EXPDTA T0348TS536_5-scwrl MODEL 1 REMARK 44 REMARK 44 model 1 is called T0348TS536_5-scwrl ATOM 1 N MET A 1 88.554 46.059 13.837 1.00 0.00 ATOM 2 CA MET A 1 89.652 46.660 13.049 1.00 0.00 ATOM 3 CB MET A 1 89.532 46.266 11.575 1.00 0.00 ATOM 4 CG MET A 1 89.791 44.793 11.304 1.00 0.00 ATOM 5 SD MET A 1 89.576 44.357 9.568 1.00 0.00 ATOM 6 CE MET A 1 91.074 45.036 8.859 1.00 0.00 ATOM 7 O MET A 1 88.510 48.723 13.345 1.00 0.00 ATOM 8 C MET A 1 89.584 48.151 13.163 1.00 0.00 ATOM 9 N ASP A 2 90.747 48.822 13.069 1.00 0.00 ATOM 10 CA ASP A 2 90.776 50.250 13.173 1.00 0.00 ATOM 11 CB ASP A 2 92.216 50.763 13.103 1.00 0.00 ATOM 12 CG ASP A 2 93.000 50.473 14.368 1.00 0.00 ATOM 13 OD1 ASP A 2 92.375 50.089 15.379 1.00 0.00 ATOM 14 OD2 ASP A 2 94.239 50.630 14.348 1.00 0.00 ATOM 15 O ASP A 2 89.333 51.811 12.122 1.00 0.00 ATOM 16 C ASP A 2 89.983 50.771 12.032 1.00 0.00 ATOM 17 N ALA A 3 89.978 50.012 10.929 1.00 0.00 ATOM 18 CA ALA A 3 89.312 50.455 9.749 1.00 0.00 ATOM 19 CB ALA A 3 89.394 49.393 8.663 1.00 0.00 ATOM 20 O ALA A 3 87.333 51.692 9.545 1.00 0.00 ATOM 21 C ALA A 3 87.877 50.721 10.069 1.00 0.00 ATOM 22 N LYS A 4 87.262 49.910 10.965 1.00 0.00 ATOM 23 CA LYS A 4 85.847 49.962 11.244 1.00 0.00 ATOM 24 CB LYS A 4 85.531 49.229 12.549 1.00 0.00 ATOM 25 CG LYS A 4 84.054 49.211 12.909 1.00 0.00 ATOM 26 CD LYS A 4 83.807 48.428 14.188 1.00 0.00 ATOM 27 CE LYS A 4 82.341 48.470 14.587 1.00 0.00 ATOM 28 NZ LYS A 4 82.081 47.691 15.829 1.00 0.00 ATOM 29 O LYS A 4 86.029 52.248 11.915 1.00 0.00 ATOM 30 C LYS A 4 85.359 51.362 11.382 1.00 0.00 ATOM 31 N PHE A 5 84.155 51.562 10.819 1.00 0.00 ATOM 32 CA PHE A 5 83.506 52.826 10.708 1.00 0.00 ATOM 33 CB PHE A 5 83.665 53.626 12.003 1.00 0.00 ATOM 34 CG PHE A 5 82.987 53.001 13.188 1.00 0.00 ATOM 35 CD1 PHE A 5 83.717 52.294 14.128 1.00 0.00 ATOM 36 CD2 PHE A 5 81.619 53.119 13.364 1.00 0.00 ATOM 37 CE1 PHE A 5 83.093 51.719 15.219 1.00 0.00 ATOM 38 CE2 PHE A 5 80.995 52.544 14.454 1.00 0.00 ATOM 39 CZ PHE A 5 81.726 51.846 15.380 1.00 0.00 ATOM 40 O PHE A 5 85.101 52.735 9.009 1.00 0.00 ATOM 41 C PHE A 5 84.243 53.415 9.560 1.00 0.00 ATOM 42 N LEU A 6 83.948 54.645 9.119 1.00 0.00 ATOM 43 CA LEU A 6 84.714 55.117 7.999 1.00 0.00 ATOM 44 CB LEU A 6 84.218 56.494 7.553 1.00 0.00 ATOM 45 CG LEU A 6 82.835 56.537 6.900 1.00 0.00 ATOM 46 CD1 LEU A 6 82.392 57.975 6.674 1.00 0.00 ATOM 47 CD2 LEU A 6 82.852 55.828 5.555 1.00 0.00 ATOM 48 O LEU A 6 87.074 54.969 7.733 1.00 0.00 ATOM 49 C LEU A 6 86.118 55.193 8.464 1.00 0.00 ATOM 50 N GLU A 7 86.285 55.550 9.728 1.00 0.00 ATOM 51 CA GLU A 7 87.591 55.503 10.266 1.00 0.00 ATOM 52 CB GLU A 7 88.556 56.319 9.403 1.00 0.00 ATOM 53 CG GLU A 7 89.999 56.277 9.877 1.00 0.00 ATOM 54 CD GLU A 7 90.933 57.052 8.968 1.00 0.00 ATOM 55 OE1 GLU A 7 90.451 57.623 7.968 1.00 0.00 ATOM 56 OE2 GLU A 7 92.148 57.087 9.256 1.00 0.00 ATOM 57 O GLU A 7 86.496 56.800 11.885 1.00 0.00 ATOM 58 C GLU A 7 87.452 56.075 11.601 1.00 0.00 ATOM 59 N ILE A 8 88.422 55.738 12.450 1.00 0.00 ATOM 60 CA ILE A 8 88.406 56.279 13.760 1.00 0.00 ATOM 61 CB ILE A 8 89.611 55.793 14.586 1.00 0.00 ATOM 62 CG1 ILE A 8 89.494 54.293 14.868 1.00 0.00 ATOM 63 CG2 ILE A 8 89.677 56.529 15.916 1.00 0.00 ATOM 64 CD1 ILE A 8 90.753 53.679 15.440 1.00 0.00 ATOM 65 O ILE A 8 87.781 58.500 14.219 1.00 0.00 ATOM 66 C ILE A 8 88.459 57.740 13.537 1.00 0.00 ATOM 67 N LEU A 9 89.232 58.167 12.526 1.00 0.00 ATOM 68 CA LEU A 9 89.366 59.573 12.287 1.00 0.00 ATOM 69 CB LEU A 9 90.315 59.829 11.114 1.00 0.00 ATOM 70 CG LEU A 9 91.788 59.491 11.348 1.00 0.00 ATOM 71 CD1 LEU A 9 92.583 59.633 10.059 1.00 0.00 ATOM 72 CD2 LEU A 9 92.395 60.421 12.387 1.00 0.00 ATOM 73 O LEU A 9 87.757 61.306 12.313 1.00 0.00 ATOM 74 C LEU A 9 88.035 60.161 11.964 1.00 0.00 ATOM 75 N VAL A 10 87.160 59.398 11.297 1.00 0.00 ATOM 76 CA VAL A 10 85.877 59.928 10.978 1.00 0.00 ATOM 77 CB VAL A 10 85.014 58.901 10.222 1.00 0.00 ATOM 78 CG1 VAL A 10 83.590 59.413 10.066 1.00 0.00 ATOM 79 CG2 VAL A 10 85.586 58.642 8.836 1.00 0.00 ATOM 80 O VAL A 10 84.447 61.248 12.293 1.00 0.00 ATOM 81 C VAL A 10 85.207 60.290 12.255 1.00 0.00 ATOM 82 N CYS A 11 85.447 59.539 13.341 1.00 0.00 ATOM 83 CA CYS A 11 84.772 59.866 14.569 1.00 0.00 ATOM 84 CB CYS A 11 85.193 58.906 15.684 1.00 0.00 ATOM 85 SG CYS A 11 84.600 57.211 15.474 1.00 0.00 ATOM 86 O CYS A 11 84.210 62.061 15.245 1.00 0.00 ATOM 87 C CYS A 11 85.120 61.274 14.982 1.00 0.00 ATOM 88 N PRO A 12 86.365 61.677 15.049 1.00 0.00 ATOM 89 CA PRO A 12 86.590 63.053 15.376 1.00 0.00 ATOM 90 CB PRO A 12 88.108 63.151 15.539 1.00 0.00 ATOM 91 CG PRO A 12 88.547 61.751 15.808 1.00 0.00 ATOM 92 CD PRO A 12 87.601 60.865 15.046 1.00 0.00 ATOM 93 O PRO A 12 85.807 65.105 14.537 1.00 0.00 ATOM 94 C PRO A 12 86.096 63.936 14.286 1.00 0.00 ATOM 95 N LEU A 13 86.005 63.386 13.067 1.00 0.00 ATOM 96 CA LEU A 13 85.535 64.109 11.931 1.00 0.00 ATOM 97 CB LEU A 13 85.627 63.246 10.671 1.00 0.00 ATOM 98 CG LEU A 13 85.170 63.901 9.366 1.00 0.00 ATOM 99 CD1 LEU A 13 86.023 65.120 9.048 1.00 0.00 ATOM 100 CD2 LEU A 13 85.286 62.925 8.205 1.00 0.00 ATOM 101 O LEU A 13 83.662 65.553 11.903 1.00 0.00 ATOM 102 C LEU A 13 84.117 64.463 12.222 1.00 0.00 ATOM 103 N CYS A 14 83.361 63.531 12.811 1.00 0.00 ATOM 104 CA CYS A 14 82.000 63.774 13.147 1.00 0.00 ATOM 105 CB CYS A 14 81.343 62.498 13.679 1.00 0.00 ATOM 106 SG CYS A 14 81.092 61.212 12.433 1.00 0.00 ATOM 107 O CYS A 14 81.153 65.750 14.122 1.00 0.00 ATOM 108 C CYS A 14 81.963 64.829 14.194 1.00 0.00 ATOM 109 N LYS A 15 82.869 64.745 15.184 1.00 0.00 ATOM 110 CA LYS A 15 82.761 65.651 16.286 1.00 0.00 ATOM 111 CB LYS A 15 83.830 65.346 17.337 1.00 0.00 ATOM 112 CG LYS A 15 83.603 64.048 18.095 1.00 0.00 ATOM 113 CD LYS A 15 84.698 63.810 19.122 1.00 0.00 ATOM 114 CE LYS A 15 84.485 62.500 19.863 1.00 0.00 ATOM 115 NZ LYS A 15 85.569 62.237 20.849 1.00 0.00 ATOM 116 O LYS A 15 82.236 67.940 16.355 1.00 0.00 ATOM 117 C LYS A 15 82.937 67.064 15.851 1.00 0.00 ATOM 118 N GLY A 16 83.866 67.344 14.915 1.00 0.00 ATOM 119 CA GLY A 16 84.076 68.728 14.593 1.00 0.00 ATOM 120 O GLY A 16 82.344 70.360 14.520 1.00 0.00 ATOM 121 C GLY A 16 82.803 69.314 14.066 1.00 0.00 ATOM 122 N PRO A 17 82.216 68.661 13.116 1.00 0.00 ATOM 123 CA PRO A 17 80.959 69.167 12.652 1.00 0.00 ATOM 124 CB PRO A 17 80.636 68.297 11.435 1.00 0.00 ATOM 125 CG PRO A 17 81.956 67.745 11.011 1.00 0.00 ATOM 126 CD PRO A 17 82.762 67.580 12.268 1.00 0.00 ATOM 127 O PRO A 17 78.872 69.864 13.459 1.00 0.00 ATOM 128 C PRO A 17 79.820 69.098 13.622 1.00 0.00 ATOM 129 N LEU A 18 79.859 68.202 14.624 1.00 0.00 ATOM 130 CA LEU A 18 78.743 68.129 15.524 1.00 0.00 ATOM 131 CB LEU A 18 78.940 66.994 16.530 1.00 0.00 ATOM 132 CG LEU A 18 77.830 66.807 17.567 1.00 0.00 ATOM 133 CD1 LEU A 18 76.511 66.471 16.889 1.00 0.00 ATOM 134 CD2 LEU A 18 78.174 65.676 18.525 1.00 0.00 ATOM 135 O LEU A 18 77.593 70.044 16.326 1.00 0.00 ATOM 136 C LEU A 18 78.662 69.440 16.239 1.00 0.00 ATOM 137 N VAL A 19 79.821 69.933 16.726 1.00 0.00 ATOM 138 CA VAL A 19 79.840 71.147 17.489 1.00 0.00 ATOM 139 CB VAL A 19 81.263 71.490 17.968 1.00 0.00 ATOM 140 CG1 VAL A 19 81.293 72.874 18.599 1.00 0.00 ATOM 141 CG2 VAL A 19 81.735 70.480 19.002 1.00 0.00 ATOM 142 O VAL A 19 78.505 73.051 17.109 1.00 0.00 ATOM 143 C VAL A 19 79.343 72.277 16.654 1.00 0.00 ATOM 144 N PHE A 20 79.834 72.429 15.410 1.00 0.00 ATOM 145 CA PHE A 20 79.277 73.515 14.666 1.00 0.00 ATOM 146 CB PHE A 20 80.381 74.297 13.952 1.00 0.00 ATOM 147 CG PHE A 20 81.317 75.012 14.884 1.00 0.00 ATOM 148 CD1 PHE A 20 82.491 74.411 15.304 1.00 0.00 ATOM 149 CD2 PHE A 20 81.024 76.285 15.341 1.00 0.00 ATOM 150 CE1 PHE A 20 83.353 75.068 16.162 1.00 0.00 ATOM 151 CE2 PHE A 20 81.886 76.942 16.199 1.00 0.00 ATOM 152 CZ PHE A 20 83.046 76.339 16.609 1.00 0.00 ATOM 153 O PHE A 20 78.644 72.832 12.483 1.00 0.00 ATOM 154 C PHE A 20 78.339 72.950 13.669 1.00 0.00 ATOM 155 N ASP A 21 77.134 72.631 14.155 1.00 0.00 ATOM 156 CA ASP A 21 76.097 72.093 13.345 1.00 0.00 ATOM 157 CB ASP A 21 75.295 71.049 14.125 1.00 0.00 ATOM 158 CG ASP A 21 74.219 70.393 13.283 1.00 0.00 ATOM 159 OD1 ASP A 21 74.052 70.796 12.112 1.00 0.00 ATOM 160 OD2 ASP A 21 73.542 69.476 13.793 1.00 0.00 ATOM 161 O ASP A 21 74.814 73.996 13.876 1.00 0.00 ATOM 162 C ASP A 21 75.267 73.272 12.993 1.00 0.00 ATOM 163 N LYS A 22 75.088 73.545 11.691 1.00 0.00 ATOM 164 CA LYS A 22 74.232 74.649 11.415 1.00 0.00 ATOM 165 CB LYS A 22 74.417 75.123 9.972 1.00 0.00 ATOM 166 CG LYS A 22 73.585 76.342 9.607 1.00 0.00 ATOM 167 CD LYS A 22 73.863 76.794 8.183 1.00 0.00 ATOM 168 CE LYS A 22 73.033 78.014 7.819 1.00 0.00 ATOM 169 NZ LYS A 22 73.293 78.467 6.425 1.00 0.00 ATOM 170 O LYS A 22 72.501 73.080 11.093 1.00 0.00 ATOM 171 C LYS A 22 72.865 74.117 11.644 1.00 0.00 ATOM 172 N SER A 23 72.066 74.805 12.475 1.00 0.00 ATOM 173 CA SER A 23 70.796 74.227 12.784 1.00 0.00 ATOM 174 CB SER A 23 70.101 75.021 13.892 1.00 0.00 ATOM 175 OG SER A 23 68.807 74.507 14.153 1.00 0.00 ATOM 176 O SER A 23 70.010 75.188 10.759 1.00 0.00 ATOM 177 C SER A 23 69.959 74.251 11.555 1.00 0.00 ATOM 178 N LYS A 24 69.149 73.193 11.384 1.00 0.00 ATOM 179 CA LYS A 24 68.341 73.069 10.211 1.00 0.00 ATOM 180 CB LYS A 24 68.286 71.611 9.750 1.00 0.00 ATOM 181 CG LYS A 24 69.617 71.063 9.263 1.00 0.00 ATOM 182 CD LYS A 24 69.516 69.584 8.928 1.00 0.00 ATOM 183 CE LYS A 24 70.837 69.045 8.403 1.00 0.00 ATOM 184 NZ LYS A 24 70.747 67.602 8.048 1.00 0.00 ATOM 185 O LYS A 24 66.288 72.979 11.396 1.00 0.00 ATOM 186 C LYS A 24 66.968 73.541 10.539 1.00 0.00 ATOM 187 N ASP A 25 66.533 74.602 9.845 1.00 0.00 ATOM 188 CA ASP A 25 65.207 75.105 10.003 1.00 0.00 ATOM 189 CB ASP A 25 65.045 76.432 9.260 1.00 0.00 ATOM 190 CG ASP A 25 65.754 77.579 9.954 1.00 0.00 ATOM 191 OD1 ASP A 25 66.159 77.406 11.123 1.00 0.00 ATOM 192 OD2 ASP A 25 65.904 78.650 9.329 1.00 0.00 ATOM 193 O ASP A 25 63.165 73.883 9.913 1.00 0.00 ATOM 194 C ASP A 25 64.282 74.076 9.434 1.00 0.00 ATOM 195 N GLU A 26 64.751 73.377 8.385 1.00 0.00 ATOM 196 CA GLU A 26 63.953 72.433 7.661 1.00 0.00 ATOM 197 CB GLU A 26 64.753 71.831 6.504 1.00 0.00 ATOM 198 CG GLU A 26 65.023 72.801 5.365 1.00 0.00 ATOM 199 CD GLU A 26 65.920 72.210 4.296 1.00 0.00 ATOM 200 OE1 GLU A 26 66.391 71.068 4.481 1.00 0.00 ATOM 201 OE2 GLU A 26 66.152 72.888 3.273 1.00 0.00 ATOM 202 O GLU A 26 62.377 70.944 8.628 1.00 0.00 ATOM 203 C GLU A 26 63.540 71.347 8.600 1.00 0.00 ATOM 204 N LEU A 27 64.488 70.851 9.419 1.00 0.00 ATOM 205 CA LEU A 27 64.137 69.739 10.252 1.00 0.00 ATOM 206 CB LEU A 27 65.355 68.845 10.494 1.00 0.00 ATOM 207 CG LEU A 27 66.024 68.259 9.249 1.00 0.00 ATOM 208 CD1 LEU A 27 67.299 67.518 9.623 1.00 0.00 ATOM 209 CD2 LEU A 27 65.093 67.280 8.550 1.00 0.00 ATOM 210 O LEU A 27 63.707 69.475 12.560 1.00 0.00 ATOM 211 C LEU A 27 63.631 70.204 11.572 1.00 0.00 ATOM 212 N ILE A 28 63.083 71.427 11.636 1.00 0.00 ATOM 213 CA ILE A 28 62.437 71.754 12.866 1.00 0.00 ATOM 214 CB ILE A 28 61.964 73.219 12.883 1.00 0.00 ATOM 215 CG1 ILE A 28 63.165 74.167 12.893 1.00 0.00 ATOM 216 CG2 ILE A 28 61.123 73.493 14.120 1.00 0.00 ATOM 217 CD1 ILE A 28 62.802 75.615 12.646 1.00 0.00 ATOM 218 O ILE A 28 61.011 70.135 13.859 1.00 0.00 ATOM 219 C ILE A 28 61.316 70.796 12.866 1.00 0.00 ATOM 220 N CYS A 29 60.693 70.695 11.682 1.00 0.00 ATOM 221 CA CYS A 29 59.626 69.769 11.520 1.00 0.00 ATOM 222 CB CYS A 29 59.096 69.808 10.085 1.00 0.00 ATOM 223 SG CYS A 29 57.724 68.674 9.765 1.00 0.00 ATOM 224 O CYS A 29 59.794 67.744 12.756 1.00 0.00 ATOM 225 C CYS A 29 60.234 68.441 11.845 1.00 0.00 ATOM 226 N LYS A 30 61.325 68.111 11.128 1.00 0.00 ATOM 227 CA LYS A 30 62.140 66.954 11.364 1.00 0.00 ATOM 228 CB LYS A 30 62.648 66.942 12.807 1.00 0.00 ATOM 229 CG LYS A 30 63.564 68.105 13.152 1.00 0.00 ATOM 230 CD LYS A 30 64.038 68.025 14.594 1.00 0.00 ATOM 231 CE LYS A 30 64.854 69.249 14.976 1.00 0.00 ATOM 232 NZ LYS A 30 65.283 69.209 16.401 1.00 0.00 ATOM 233 O LYS A 30 61.904 64.638 11.625 1.00 0.00 ATOM 234 C LYS A 30 61.430 65.667 11.151 1.00 0.00 ATOM 235 N GLY A 31 60.310 65.624 10.415 1.00 0.00 ATOM 236 CA GLY A 31 59.836 64.286 10.302 1.00 0.00 ATOM 237 O GLY A 31 57.738 65.090 9.527 1.00 0.00 ATOM 238 C GLY A 31 58.617 64.231 9.469 1.00 0.00 ATOM 239 N ASP A 32 58.567 63.167 8.657 1.00 0.00 ATOM 240 CA ASP A 32 57.419 62.854 7.877 1.00 0.00 ATOM 241 CB ASP A 32 57.828 62.160 6.576 1.00 0.00 ATOM 242 CG ASP A 32 58.479 63.108 5.589 1.00 0.00 ATOM 243 OD1 ASP A 32 58.350 64.337 5.773 1.00 0.00 ATOM 244 OD2 ASP A 32 59.117 62.623 4.632 1.00 0.00 ATOM 245 O ASP A 32 57.263 61.065 9.388 1.00 0.00 ATOM 246 C ASP A 32 56.665 61.961 8.793 1.00 0.00 ATOM 247 N ARG A 33 55.351 62.186 8.974 1.00 0.00 ATOM 248 CA ARG A 33 54.685 61.320 9.898 1.00 0.00 ATOM 249 CB ARG A 33 53.223 61.738 10.065 1.00 0.00 ATOM 250 CG ARG A 33 52.454 60.913 11.085 1.00 0.00 ATOM 251 CD ARG A 33 51.014 61.384 11.203 1.00 0.00 ATOM 252 NE ARG A 33 50.244 60.562 12.135 1.00 0.00 ATOM 253 CZ ARG A 33 48.968 60.773 12.438 1.00 0.00 ATOM 254 NH1 ARG A 33 48.349 59.974 13.296 1.00 0.00 ATOM 255 NH2 ARG A 33 48.312 61.783 11.882 1.00 0.00 ATOM 256 O ARG A 33 54.685 59.742 8.122 1.00 0.00 ATOM 257 C ARG A 33 54.770 59.945 9.332 1.00 0.00 ATOM 258 N LEU A 34 54.976 58.952 10.208 1.00 0.00 ATOM 259 CA LEU A 34 55.106 57.625 9.700 1.00 0.00 ATOM 260 CB LEU A 34 55.465 56.653 10.826 1.00 0.00 ATOM 261 CG LEU A 34 55.725 55.203 10.412 1.00 0.00 ATOM 262 CD1 LEU A 34 56.967 55.108 9.539 1.00 0.00 ATOM 263 CD2 LEU A 34 55.936 54.325 11.636 1.00 0.00 ATOM 264 O LEU A 34 52.746 57.444 9.746 1.00 0.00 ATOM 265 C LEU A 34 53.783 57.278 9.107 1.00 0.00 ATOM 266 N ALA A 35 53.783 56.769 7.861 1.00 0.00 ATOM 267 CA ALA A 35 52.538 56.453 7.229 1.00 0.00 ATOM 268 CB ALA A 35 52.422 57.175 5.895 1.00 0.00 ATOM 269 O ALA A 35 53.541 54.320 6.986 1.00 0.00 ATOM 270 C ALA A 35 52.506 54.984 7.016 1.00 0.00 ATOM 271 N PHE A 36 51.279 54.451 6.884 1.00 0.00 ATOM 272 CA PHE A 36 51.058 53.045 6.742 1.00 0.00 ATOM 273 CB PHE A 36 49.592 52.703 7.014 1.00 0.00 ATOM 274 CG PHE A 36 49.206 52.800 8.462 1.00 0.00 ATOM 275 CD1 PHE A 36 48.555 53.921 8.947 1.00 0.00 ATOM 276 CD2 PHE A 36 49.493 51.769 9.341 1.00 0.00 ATOM 277 CE1 PHE A 36 48.199 54.010 10.279 1.00 0.00 ATOM 278 CE2 PHE A 36 49.138 51.858 10.673 1.00 0.00 ATOM 279 CZ PHE A 36 48.493 52.972 11.144 1.00 0.00 ATOM 280 O PHE A 36 51.227 53.408 4.387 1.00 0.00 ATOM 281 C PHE A 36 51.413 52.653 5.340 1.00 0.00 ATOM 282 N PRO A 37 51.954 51.473 5.232 1.00 0.00 ATOM 283 CA PRO A 37 52.348 50.947 3.947 1.00 0.00 ATOM 284 CB PRO A 37 53.345 49.838 4.291 1.00 0.00 ATOM 285 CG PRO A 37 52.882 49.316 5.609 1.00 0.00 ATOM 286 CD PRO A 37 52.386 50.507 6.379 1.00 0.00 ATOM 287 O PRO A 37 50.105 50.217 3.725 1.00 0.00 ATOM 288 C PRO A 37 51.186 50.397 3.167 1.00 0.00 ATOM 289 N ILE A 38 51.390 50.126 1.862 1.00 0.00 ATOM 290 CA ILE A 38 50.334 49.639 1.016 1.00 0.00 ATOM 291 CB ILE A 38 50.796 49.514 -0.448 1.00 0.00 ATOM 292 CG1 ILE A 38 51.063 50.899 -1.042 1.00 0.00 ATOM 293 CG2 ILE A 38 49.729 48.827 -1.286 1.00 0.00 ATOM 294 CD1 ILE A 38 51.773 50.863 -2.378 1.00 0.00 ATOM 295 O ILE A 38 48.643 48.118 1.637 1.00 0.00 ATOM 296 C ILE A 38 49.844 48.280 1.438 1.00 0.00 ATOM 297 N LYS A 39 50.742 47.283 1.612 1.00 0.00 ATOM 298 CA LYS A 39 50.360 45.948 2.014 1.00 0.00 ATOM 299 CB LYS A 39 49.201 46.000 3.012 1.00 0.00 ATOM 300 CG LYS A 39 49.542 46.690 4.323 1.00 0.00 ATOM 301 CD LYS A 39 48.357 46.682 5.275 1.00 0.00 ATOM 302 CE LYS A 39 48.689 47.395 6.575 1.00 0.00 ATOM 303 NZ LYS A 39 47.533 47.405 7.514 1.00 0.00 ATOM 304 O LYS A 39 49.540 45.697 -0.210 1.00 0.00 ATOM 305 C LYS A 39 49.925 45.147 0.820 1.00 0.00 ATOM 306 N ASP A 40 49.995 43.801 0.946 1.00 0.00 ATOM 307 CA ASP A 40 49.701 42.890 -0.130 1.00 0.00 ATOM 308 CB ASP A 40 50.654 41.694 -0.095 1.00 0.00 ATOM 309 CG ASP A 40 52.077 42.072 -0.459 1.00 0.00 ATOM 310 OD1 ASP A 40 52.278 43.183 -0.992 1.00 0.00 ATOM 311 OD2 ASP A 40 52.990 41.256 -0.211 1.00 0.00 ATOM 312 O ASP A 40 47.769 42.227 1.087 1.00 0.00 ATOM 313 C ASP A 40 48.298 42.383 -0.013 1.00 0.00 ATOM 314 N GLY A 41 47.647 42.158 -1.178 1.00 0.00 ATOM 315 CA GLY A 41 46.313 41.633 -1.209 1.00 0.00 ATOM 316 O GLY A 41 46.599 39.347 -1.808 1.00 0.00 ATOM 317 C GLY A 41 46.360 40.170 -0.928 1.00 0.00 ATOM 318 N ILE A 42 46.106 39.822 0.336 1.00 0.00 ATOM 319 CA ILE A 42 46.030 38.475 0.795 1.00 0.00 ATOM 320 CB ILE A 42 47.404 37.960 1.263 1.00 0.00 ATOM 321 CG1 ILE A 42 47.949 38.841 2.389 1.00 0.00 ATOM 322 CG2 ILE A 42 48.399 37.977 0.113 1.00 0.00 ATOM 323 CD1 ILE A 42 49.203 38.297 3.037 1.00 0.00 ATOM 324 O ILE A 42 44.811 39.721 2.335 1.00 0.00 ATOM 325 C ILE A 42 45.064 38.598 1.904 1.00 0.00 ATOM 326 N PRO A 43 44.457 37.569 2.390 1.00 0.00 ATOM 327 CA PRO A 43 43.696 37.865 3.553 1.00 0.00 ATOM 328 CB PRO A 43 42.887 36.590 3.800 1.00 0.00 ATOM 329 CG PRO A 43 42.885 35.888 2.484 1.00 0.00 ATOM 330 CD PRO A 43 44.218 36.179 1.854 1.00 0.00 ATOM 331 O PRO A 43 45.546 37.247 4.847 1.00 0.00 ATOM 332 C PRO A 43 44.757 38.145 4.565 1.00 0.00 ATOM 333 N MET A 44 44.806 39.368 5.123 1.00 0.00 ATOM 334 CA MET A 44 45.850 39.653 6.057 1.00 0.00 ATOM 335 CB MET A 44 45.793 41.118 6.494 1.00 0.00 ATOM 336 CG MET A 44 46.170 42.107 5.403 1.00 0.00 ATOM 337 SD MET A 44 47.860 41.883 4.817 1.00 0.00 ATOM 338 CE MET A 44 48.790 42.412 6.253 1.00 0.00 ATOM 339 O MET A 44 46.533 38.154 7.769 1.00 0.00 ATOM 340 C MET A 44 45.615 38.750 7.205 1.00 0.00 ATOM 341 N MET A 45 44.327 38.609 7.544 1.00 0.00 ATOM 342 CA MET A 45 43.925 37.787 8.633 1.00 0.00 ATOM 343 CB MET A 45 42.414 37.887 8.850 1.00 0.00 ATOM 344 CG MET A 45 41.951 39.233 9.382 1.00 0.00 ATOM 345 SD MET A 45 42.658 39.626 10.993 1.00 0.00 ATOM 346 CE MET A 45 41.835 38.418 12.028 1.00 0.00 ATOM 347 O MET A 45 44.745 35.644 9.182 1.00 0.00 ATOM 348 C MET A 45 44.295 36.380 8.308 1.00 0.00 ATOM 349 N LEU A 46 44.130 35.972 7.033 1.00 0.00 ATOM 350 CA LEU A 46 44.335 34.592 6.690 1.00 0.00 ATOM 351 CB LEU A 46 44.020 34.355 5.212 1.00 0.00 ATOM 352 CG LEU A 46 44.179 32.919 4.707 1.00 0.00 ATOM 353 CD1 LEU A 46 43.236 31.982 5.446 1.00 0.00 ATOM 354 CD2 LEU A 46 43.865 32.834 3.221 1.00 0.00 ATOM 355 O LEU A 46 46.040 33.149 7.484 1.00 0.00 ATOM 356 C LEU A 46 45.760 34.220 6.948 1.00 0.00 ATOM 357 N GLU A 47 46.701 35.113 6.594 1.00 0.00 ATOM 358 CA GLU A 47 48.097 34.827 6.752 1.00 0.00 ATOM 359 CB GLU A 47 48.944 35.997 6.247 1.00 0.00 ATOM 360 CG GLU A 47 50.443 35.754 6.319 1.00 0.00 ATOM 361 CD GLU A 47 51.248 36.910 5.757 1.00 0.00 ATOM 362 OE1 GLU A 47 50.632 37.893 5.294 1.00 0.00 ATOM 363 OE2 GLU A 47 52.494 36.832 5.780 1.00 0.00 ATOM 364 O GLU A 47 49.120 33.701 8.578 1.00 0.00 ATOM 365 C GLU A 47 48.369 34.603 8.204 1.00 0.00 ATOM 366 N SER A 48 47.737 35.418 9.066 1.00 0.00 ATOM 367 CA SER A 48 47.964 35.337 10.480 1.00 0.00 ATOM 368 CB SER A 48 47.120 36.378 11.219 1.00 0.00 ATOM 369 OG SER A 48 47.544 37.693 10.906 1.00 0.00 ATOM 370 O SER A 48 48.359 33.340 11.704 1.00 0.00 ATOM 371 C SER A 48 47.592 33.973 10.980 1.00 0.00 ATOM 372 N GLU A 49 46.409 33.468 10.589 1.00 0.00 ATOM 373 CA GLU A 49 45.955 32.208 11.109 1.00 0.00 ATOM 374 CB GLU A 49 44.553 31.887 10.587 1.00 0.00 ATOM 375 CG GLU A 49 43.458 32.766 11.168 1.00 0.00 ATOM 376 CD GLU A 49 42.104 32.503 10.539 1.00 0.00 ATOM 377 OE1 GLU A 49 42.036 31.685 9.596 1.00 0.00 ATOM 378 OE2 GLU A 49 41.111 33.113 10.987 1.00 0.00 ATOM 379 O GLU A 49 47.225 30.242 11.496 1.00 0.00 ATOM 380 C GLU A 49 46.879 31.107 10.693 1.00 0.00 ATOM 381 N ALA A 50 47.324 31.117 9.426 1.00 0.00 ATOM 382 CA ALA A 50 48.171 30.059 8.961 1.00 0.00 ATOM 383 CB ALA A 50 48.477 30.236 7.482 1.00 0.00 ATOM 384 O ALA A 50 49.972 29.006 10.077 1.00 0.00 ATOM 385 C ALA A 50 49.457 30.066 9.724 1.00 0.00 ATOM 386 N ARG A 51 50.007 31.260 10.018 1.00 0.00 ATOM 387 CA ARG A 51 51.305 31.292 10.631 1.00 0.00 ATOM 388 CB ARG A 51 51.740 32.736 10.889 1.00 0.00 ATOM 389 CG ARG A 51 52.079 33.517 9.630 1.00 0.00 ATOM 390 CD ARG A 51 52.457 34.952 9.955 1.00 0.00 ATOM 391 NE ARG A 51 52.738 35.731 8.751 1.00 0.00 ATOM 392 CZ ARG A 51 53.037 37.026 8.751 1.00 0.00 ATOM 393 NH1 ARG A 51 53.278 37.651 7.607 1.00 0.00 ATOM 394 NH2 ARG A 51 53.096 37.692 9.896 1.00 0.00 ATOM 395 O ARG A 51 52.094 29.685 12.174 1.00 0.00 ATOM 396 C ARG A 51 51.268 30.563 11.929 1.00 0.00 ATOM 397 N GLU A 52 50.298 30.880 12.803 1.00 0.00 ATOM 398 CA GLU A 52 50.328 30.186 14.050 1.00 0.00 ATOM 399 CB GLU A 52 49.804 31.082 15.174 1.00 0.00 ATOM 400 CG GLU A 52 50.603 32.359 15.373 1.00 0.00 ATOM 401 CD GLU A 52 49.994 33.270 16.421 1.00 0.00 ATOM 402 OE1 GLU A 52 48.968 32.884 17.019 1.00 0.00 ATOM 403 OE2 GLU A 52 50.543 34.369 16.645 1.00 0.00 ATOM 404 O GLU A 52 48.419 28.882 14.530 1.00 0.00 ATOM 405 C GLU A 52 49.463 28.998 13.890 1.00 0.00 ATOM 406 N LEU A 53 49.897 28.042 13.056 1.00 0.00 ATOM 407 CA LEU A 53 49.008 26.944 12.941 1.00 0.00 ATOM 408 CB LEU A 53 49.168 26.266 11.579 1.00 0.00 ATOM 409 CG LEU A 53 48.261 25.063 11.310 1.00 0.00 ATOM 410 CD1 LEU A 53 46.797 25.469 11.370 1.00 0.00 ATOM 411 CD2 LEU A 53 48.537 24.479 9.933 1.00 0.00 ATOM 412 O LEU A 53 50.329 25.250 13.943 1.00 0.00 ATOM 413 C LEU A 53 49.372 26.018 14.037 1.00 0.00 ATOM 414 N ALA A 54 48.597 26.106 15.129 1.00 0.00 ATOM 415 CA ALA A 54 48.800 25.245 16.249 1.00 0.00 ATOM 416 CB ALA A 54 47.825 25.588 17.365 1.00 0.00 ATOM 417 O ALA A 54 49.311 22.939 16.110 1.00 0.00 ATOM 418 C ALA A 54 48.568 23.853 15.758 1.00 0.00 ATOM 419 N PRO A 55 47.565 23.658 14.940 1.00 0.00 ATOM 420 CA PRO A 55 47.359 22.347 14.406 1.00 0.00 ATOM 421 CB PRO A 55 46.085 22.484 13.570 1.00 0.00 ATOM 422 CG PRO A 55 45.346 23.618 14.198 1.00 0.00 ATOM 423 CD PRO A 55 46.391 24.607 14.633 1.00 0.00 ATOM 424 O PRO A 55 48.761 20.682 13.536 1.00 0.00 ATOM 425 C PRO A 55 48.500 21.883 13.560 1.00 0.00 ATOM 426 N GLU A 56 49.189 22.798 12.855 1.00 0.00 ATOM 427 CA GLU A 56 50.278 22.383 12.017 1.00 0.00 ATOM 428 CB GLU A 56 50.840 23.575 11.239 1.00 0.00 ATOM 429 CG GLU A 56 51.959 23.215 10.276 1.00 0.00 ATOM 430 CD GLU A 56 52.451 24.409 9.482 1.00 0.00 ATOM 431 OE1 GLU A 56 51.902 25.515 9.671 1.00 0.00 ATOM 432 OE2 GLU A 56 53.385 24.239 8.670 1.00 0.00 ATOM 433 O GLU A 56 51.914 20.759 12.587 1.00 0.00 ATOM 434 C GLU A 56 51.344 21.807 12.888 1.00 0.00 ATOM 435 N GLU A 57 51.620 22.482 14.015 1.00 0.00 ATOM 436 CA GLU A 57 52.665 22.073 14.905 1.00 0.00 ATOM 437 CB GLU A 57 52.836 23.091 16.034 1.00 0.00 ATOM 438 CG GLU A 57 53.422 24.420 15.588 1.00 0.00 ATOM 439 CD GLU A 57 53.462 25.444 16.706 1.00 0.00 ATOM 440 OE1 GLU A 57 52.965 25.137 17.810 1.00 0.00 ATOM 441 OE2 GLU A 57 53.990 26.552 16.478 1.00 0.00 ATOM 442 O GLU A 57 53.173 19.844 15.584 1.00 0.00 ATOM 443 C GLU A 57 52.334 20.741 15.505 1.00 0.00 ATOM 444 N GLU A 58 51.082 20.562 15.946 1.00 0.00 ATOM 445 CA GLU A 58 50.780 19.334 16.612 1.00 0.00 ATOM 446 CB GLU A 58 49.354 19.361 17.166 1.00 0.00 ATOM 447 CG GLU A 58 49.161 20.311 18.337 1.00 0.00 ATOM 448 CD GLU A 58 47.712 20.419 18.767 1.00 0.00 ATOM 449 OE1 GLU A 58 46.848 19.806 18.105 1.00 0.00 ATOM 450 OE2 GLU A 58 47.439 21.117 19.766 1.00 0.00 ATOM 451 O GLU A 58 51.566 17.197 15.938 1.00 0.00 ATOM 452 C GLU A 58 50.901 18.193 15.655 1.00 0.00 ATOM 453 N VAL A 59 50.277 18.325 14.472 1.00 0.00 ATOM 454 CA VAL A 59 50.286 17.237 13.540 1.00 0.00 ATOM 455 CB VAL A 59 49.385 17.527 12.325 1.00 0.00 ATOM 456 CG1 VAL A 59 49.556 16.449 11.266 1.00 0.00 ATOM 457 CG2 VAL A 59 47.923 17.562 12.743 1.00 0.00 ATOM 458 O VAL A 59 52.099 15.863 12.889 1.00 0.00 ATOM 459 C VAL A 59 51.672 17.006 13.049 1.00 0.00 ATOM 460 N LYS A 60 52.420 18.097 12.814 1.00 0.00 ATOM 461 CA LYS A 60 53.733 17.967 12.266 1.00 0.00 ATOM 462 CB LYS A 60 54.370 19.344 12.069 1.00 0.00 ATOM 463 CG LYS A 60 55.756 19.303 11.445 1.00 0.00 ATOM 464 CD LYS A 60 56.295 20.704 11.206 1.00 0.00 ATOM 465 CE LYS A 60 57.693 20.663 10.610 1.00 0.00 ATOM 466 NZ LYS A 60 58.240 22.030 10.384 1.00 0.00 ATOM 467 O LYS A 60 55.315 16.293 12.811 1.00 0.00 ATOM 468 C LYS A 60 54.552 17.165 13.221 1.00 0.00 ATOM 469 N LEU A 61 54.373 17.400 14.533 1.00 0.00 ATOM 470 CA LEU A 61 55.214 16.739 15.484 1.00 0.00 ATOM 471 CB LEU A 61 54.828 17.139 16.910 1.00 0.00 ATOM 472 CG LEU A 61 55.137 18.581 17.316 1.00 0.00 ATOM 473 CD1 LEU A 61 54.543 18.895 18.680 1.00 0.00 ATOM 474 CD2 LEU A 61 56.639 18.810 17.388 1.00 0.00 ATOM 475 O LEU A 61 56.074 14.555 15.329 1.00 0.00 ATOM 476 C LEU A 61 55.067 15.262 15.341 1.00 0.00 ATOM 477 N GLU A 62 53.824 14.759 15.179 1.00 0.00 ATOM 478 CA GLU A 62 53.622 13.337 15.209 1.00 0.00 ATOM 479 CB GLU A 62 52.128 13.009 15.255 1.00 0.00 ATOM 480 CG GLU A 62 51.823 11.536 15.475 1.00 0.00 ATOM 481 CD GLU A 62 50.335 11.252 15.529 1.00 0.00 ATOM 482 OE1 GLU A 62 49.544 12.217 15.496 1.00 0.00 ATOM 483 OE2 GLU A 62 49.960 10.063 15.605 1.00 0.00 ATOM 484 O GLU A 62 53.557 12.500 12.966 1.00 0.00 ATOM 485 C GLU A 62 54.201 12.675 13.999 1.00 0.00 ATOM 486 N HIS A 63 55.489 12.328 14.114 1.00 0.00 ATOM 487 CA HIS A 63 56.240 11.566 13.170 1.00 0.00 ATOM 488 CB HIS A 63 55.730 10.124 13.119 1.00 0.00 ATOM 489 CG HIS A 63 55.720 9.439 14.450 1.00 0.00 ATOM 490 CD2 HIS A 63 54.694 8.910 15.337 1.00 0.00 ATOM 491 ND1 HIS A 63 56.872 9.161 15.153 1.00 0.00 ATOM 492 CE1 HIS A 63 56.544 8.546 16.303 1.00 0.00 ATOM 493 NE2 HIS A 63 55.239 8.392 16.420 1.00 0.00 ATOM 494 O HIS A 63 56.442 11.480 10.825 1.00 0.00 ATOM 495 C HIS A 63 56.126 12.147 11.808 1.00 0.00 ATOM 496 N HIS A 64 55.682 13.408 11.693 1.00 0.00 ATOM 497 CA HIS A 64 55.695 13.954 10.375 1.00 0.00 ATOM 498 CB HIS A 64 54.904 15.263 10.329 1.00 0.00 ATOM 499 CG HIS A 64 54.842 15.884 8.969 1.00 0.00 ATOM 500 CD2 HIS A 64 55.404 17.072 8.343 1.00 0.00 ATOM 501 ND1 HIS A 64 54.123 15.332 7.931 1.00 0.00 ATOM 502 CE1 HIS A 64 54.258 16.111 6.842 1.00 0.00 ATOM 503 NE2 HIS A 64 55.025 17.157 7.083 1.00 0.00 ATOM 504 O HIS A 64 57.614 13.969 8.980 1.00 0.00 ATOM 505 C HIS A 64 57.135 14.173 10.092 1.00 0.00 ATOM 506 N HIS A 65 57.851 14.600 11.149 1.00 0.00 ATOM 507 CA HIS A 65 59.249 14.895 11.102 1.00 0.00 ATOM 508 CB HIS A 65 59.720 15.472 12.439 1.00 0.00 ATOM 509 CG HIS A 65 61.171 15.839 12.460 1.00 0.00 ATOM 510 CD2 HIS A 65 62.364 15.321 13.115 1.00 0.00 ATOM 511 ND1 HIS A 65 61.681 16.899 11.743 1.00 0.00 ATOM 512 CE1 HIS A 65 63.006 16.979 11.962 1.00 0.00 ATOM 513 NE2 HIS A 65 63.422 16.035 12.784 1.00 0.00 ATOM 514 O HIS A 65 60.890 13.570 10.010 1.00 0.00 ATOM 515 C HIS A 65 59.963 13.616 10.816 1.00 0.00 ATOM 516 N HIS A 66 59.517 12.527 11.467 1.00 0.00 ATOM 517 CA HIS A 66 60.196 11.274 11.330 1.00 0.00 ATOM 518 CB HIS A 66 59.528 10.205 12.197 1.00 0.00 ATOM 519 CG HIS A 66 60.146 8.848 12.066 1.00 0.00 ATOM 520 CD2 HIS A 66 59.775 7.595 11.424 1.00 0.00 ATOM 521 ND1 HIS A 66 61.363 8.527 12.628 1.00 0.00 ATOM 522 CE1 HIS A 66 61.652 7.245 12.341 1.00 0.00 ATOM 523 NE2 HIS A 66 60.704 6.680 11.619 1.00 0.00 ATOM 524 O HIS A 66 61.170 10.528 9.294 1.00 0.00 ATOM 525 C HIS A 66 60.144 10.849 9.893 1.00 0.00 ATOM 526 N HIS A 67 58.939 10.857 9.292 1.00 0.00 ATOM 527 CA HIS A 67 58.812 10.472 7.914 1.00 0.00 ATOM 528 CB HIS A 67 57.339 10.439 7.500 1.00 0.00 ATOM 529 CG HIS A 67 57.120 10.013 6.082 1.00 0.00 ATOM 530 CD2 HIS A 67 56.675 10.666 4.859 1.00 0.00 ATOM 531 ND1 HIS A 67 57.342 8.724 5.649 1.00 0.00 ATOM 532 CE1 HIS A 67 57.059 8.648 4.336 1.00 0.00 ATOM 533 NE2 HIS A 67 56.658 9.810 3.856 1.00 0.00 ATOM 534 O HIS A 67 60.293 11.130 6.175 1.00 0.00 ATOM 535 C HIS A 67 59.545 11.474 7.090 1.00 0.00 ATOM 536 N HIS A 68 59.332 12.758 7.425 1.00 0.00 ATOM 537 CA HIS A 68 59.891 13.861 6.707 1.00 0.00 ATOM 538 CB HIS A 68 59.291 15.180 7.198 1.00 0.00 ATOM 539 CG HIS A 68 59.784 16.382 6.455 1.00 0.00 ATOM 540 CD2 HIS A 68 60.667 17.499 6.757 1.00 0.00 ATOM 541 ND1 HIS A 68 59.415 16.658 5.157 1.00 0.00 ATOM 542 CE1 HIS A 68 60.014 17.796 4.763 1.00 0.00 ATOM 543 NE2 HIS A 68 60.767 18.306 5.719 1.00 0.00 ATOM 544 O HIS A 68 61.917 12.821 7.420 1.00 0.00 ATOM 545 C HIS A 68 61.397 13.864 6.942 1.00 0.00 ENDMDL