EXPDTA THEORETICAL MODEL, MODELLER 9.19 2017/10/25 12:05:42 REMARK 6 MODELLER OBJECTIVE FUNCTION: 105.2221 REMARK 6 MODELLER BEST TEMPLATE % SEQ ID: 50.000 REMARK 6 SEQUENCE: model REMARK 6 ALIGNMENT: alignment.pir REMARK 6 DOPE score: -1556.41907 REMARK 6 GA341 score: 0.70348 REMARK 6 Normalized DOPE score: -0.41668 REMARK 6 TEMPLATE: 1llmC01 101:C - 124:C MODELS 1: - 24: AT 50.0% ATOM 1 N ARG 371 -0.083 39.992 55.143 1.00 61.60 N ATOM 2 CA ARG 371 0.876 39.326 54.230 1.00 61.60 C ATOM 3 CB ARG 371 0.232 39.085 52.857 1.00 61.60 C ATOM 4 CG ARG 371 1.204 38.476 51.848 1.00 61.60 C ATOM 5 CD ARG 371 0.543 38.038 50.541 1.00 61.60 C ATOM 6 NE ARG 371 0.103 36.628 50.720 1.00 61.60 N ATOM 7 CZ ARG 371 -0.225 35.878 49.628 1.00 61.60 C ATOM 8 NH1 ARG 371 -0.265 36.445 48.387 1.00 61.60 N ATOM 9 NH2 ARG 371 -0.499 34.550 49.780 1.00 61.60 N ATOM 10 C ARG 371 2.119 40.135 54.061 1.00 61.60 C ATOM 11 O ARG 371 3.174 39.600 53.722 1.00 61.60 O ATOM 12 N LYS 372 2.021 41.463 54.276 1.00 99.89 N ATOM 13 CA LYS 372 3.201 42.279 54.248 1.00 99.89 C ATOM 14 CB LYS 372 3.074 43.503 53.315 1.00 99.89 C ATOM 15 CG LYS 372 2.852 43.134 51.843 1.00 99.89 C ATOM 16 CD LYS 372 2.383 44.309 50.978 1.00 99.89 C ATOM 17 CE LYS 372 3.521 45.112 50.340 1.00 99.89 C ATOM 18 NZ LYS 372 3.731 44.671 48.943 1.00 99.89 N ATOM 19 C LYS 372 3.356 42.788 55.651 1.00 99.89 C ATOM 20 O LYS 372 2.995 43.916 55.979 1.00 99.89 O ATOM 21 N PRO 373 3.881 41.937 56.481 1.00 83.56 N ATOM 22 CA PRO 373 4.066 42.169 57.884 1.00 83.56 C ATOM 23 CD PRO 373 4.346 40.627 56.066 1.00 83.56 C ATOM 24 CB PRO 373 4.411 40.799 58.466 1.00 83.56 C ATOM 25 CG PRO 373 5.065 40.048 57.293 1.00 83.56 C ATOM 26 C PRO 373 5.118 43.175 58.228 1.00 83.56 C ATOM 27 O PRO 373 5.130 43.631 59.369 1.00 83.56 O ATOM 28 N PHE 374 6.030 43.518 57.302 1.00 69.41 N ATOM 29 CA PHE 374 7.105 44.361 57.731 1.00 69.41 C ATOM 30 CB PHE 374 8.452 43.925 57.138 1.00 69.41 C ATOM 31 CG PHE 374 8.599 42.471 57.444 1.00 69.41 C ATOM 32 CD1 PHE 374 8.088 41.533 56.573 1.00 69.41 C ATOM 33 CD2 PHE 374 9.231 42.031 58.587 1.00 69.41 C ATOM 34 CE1 PHE 374 8.202 40.184 56.830 1.00 69.41 C ATOM 35 CE2 PHE 374 9.348 40.683 58.848 1.00 69.41 C ATOM 36 CZ PHE 374 8.841 39.754 57.969 1.00 69.41 C ATOM 37 C PHE 374 6.843 45.746 57.249 1.00 69.41 C ATOM 38 O PHE 374 6.822 45.999 56.048 1.00 69.41 O ATOM 39 N THR 375 6.674 46.705 58.177 1.00106.21 N ATOM 40 CA THR 375 6.386 48.035 57.740 1.00106.21 C ATOM 41 CB THR 375 5.105 48.589 58.284 0.50106.21 C ATOM 42 OG1 THR 375 4.843 49.854 57.695 1.00106.21 O ATOM 43 CG2 THR 375 5.214 48.719 59.813 1.00106.21 C ATOM 44 C THR 375 7.485 48.933 58.179 1.00106.21 C ATOM 45 O THR 375 8.094 48.736 59.229 1.00106.21 O ATOM 46 N CYS 376 7.776 49.949 57.349 1.00 38.45 N ATOM 47 CA CYS 376 8.805 50.884 57.683 1.00 38.45 C ATOM 48 CB CYS 376 9.353 51.632 56.460 1.00 38.45 C ATOM 49 SG CYS 376 10.648 52.828 56.900 1.00 38.45 S ATOM 50 C CYS 376 8.199 51.882 58.607 1.00 38.45 C ATOM 51 O CYS 376 7.087 52.357 58.383 1.00 38.45 O ATOM 52 N THR 377 8.925 52.197 59.696 1.00111.27 N ATOM 53 CA THR 377 8.448 53.088 60.710 1.00111.27 C ATOM 54 CB THR 377 9.381 53.145 61.889 1.00111.27 C ATOM 55 OG1 THR 377 8.853 53.987 62.903 1.00111.27 O ATOM 56 CG2 THR 377 10.756 53.652 61.424 1.00111.27 C ATOM 57 C THR 377 8.293 54.473 60.167 1.00111.27 C ATOM 58 O THR 377 7.308 55.150 60.460 1.00111.27 O ATOM 59 N GLN 378 9.286 54.955 59.397 1.00117.87 N ATOM 60 CA GLN 378 9.194 56.309 58.933 1.00117.87 C ATOM 61 CB GLN 378 10.558 56.810 58.407 1.00117.87 C ATOM 62 CG GLN 378 11.158 55.991 57.259 1.00117.87 C ATOM 63 CD GLN 378 12.611 56.429 57.087 1.00117.87 C ATOM 64 OE1 GLN 378 12.889 57.531 56.616 1.00117.87 O ATOM 65 NE2 GLN 378 13.569 55.546 57.483 1.00117.87 N ATOM 66 C GLN 378 8.124 56.526 57.891 1.00117.87 C ATOM 67 O GLN 378 7.196 57.305 58.111 1.00117.87 O ATOM 68 N CYS 379 8.221 55.827 56.736 1.00 67.29 N ATOM 69 CA CYS 379 7.328 55.973 55.608 1.00 67.29 C ATOM 70 CB CYS 379 7.965 55.531 54.278 1.00 67.29 C ATOM 71 SG CYS 379 8.440 53.779 54.246 1.00 67.29 S ATOM 72 C CYS 379 6.019 55.261 55.796 1.00 67.29 C ATOM 73 O CYS 379 4.991 55.695 55.275 1.00 67.29 O ATOM 74 N ARG 380 6.018 54.151 56.558 1.00165.05 N ATOM 75 CA ARG 380 4.852 53.333 56.776 1.00165.05 C ATOM 76 CB ARG 380 3.594 54.171 57.087 1.00165.05 C ATOM 77 CG ARG 380 2.369 53.354 57.517 1.00165.05 C ATOM 78 CD ARG 380 1.260 54.211 58.130 1.00165.05 C ATOM 79 NE ARG 380 1.834 54.809 59.368 1.00165.05 N ATOM 80 CZ ARG 380 1.048 55.494 60.247 1.00165.05 C ATOM 81 NH1 ARG 380 -0.295 55.600 60.028 1.00165.05 N ATOM 82 NH2 ARG 380 1.613 56.073 61.346 1.00165.05 N ATOM 83 C ARG 380 4.554 52.433 55.593 1.00165.05 C ATOM 84 O ARG 380 3.478 51.841 55.521 1.00165.05 O ATOM 85 N LYS 381 5.502 52.247 54.650 1.00 46.52 N ATOM 86 CA LYS 381 5.253 51.333 53.562 1.00 46.52 C ATOM 87 CB LYS 381 6.243 51.482 52.388 1.00 46.52 C ATOM 88 CG LYS 381 5.911 50.594 51.187 1.00 46.52 C ATOM 89 CD LYS 381 6.677 50.955 49.912 1.00 46.52 C ATOM 90 CE LYS 381 6.328 50.048 48.734 1.00 46.52 C ATOM 91 NZ LYS 381 7.095 50.453 47.535 1.00 46.52 N ATOM 92 C LYS 381 5.385 49.935 54.110 1.00 46.52 C ATOM 93 O LYS 381 6.146 49.707 55.049 1.00 46.52 O ATOM 94 N ASN 382 4.640 48.954 53.541 1.00 63.45 N ATOM 95 CA ASN 382 4.655 47.603 54.061 1.00 63.45 C ATOM 96 CB ASN 382 3.245 47.016 54.248 1.00 63.45 C ATOM 97 CG ASN 382 2.495 47.895 55.237 1.00 63.45 C ATOM 98 OD1 ASN 382 1.888 48.895 54.856 1.00 63.45 O ATOM 99 ND2 ASN 382 2.531 47.509 56.540 1.00 63.45 N ATOM 100 C ASN 382 5.351 46.711 53.077 1.00 63.45 C ATOM 101 O ASN 382 5.242 46.913 51.871 1.00 63.45 O ATOM 102 N PHE 383 6.087 45.687 53.565 1.00 54.08 N ATOM 103 CA PHE 383 6.818 44.824 52.682 1.00 54.08 C ATOM 104 CB PHE 383 8.342 45.031 52.742 1.00 54.08 C ATOM 105 CG PHE 383 8.617 46.430 52.323 1.00 54.08 C ATOM 106 CD1 PHE 383 8.607 47.438 53.259 1.00 54.08 C ATOM 107 CD2 PHE 383 8.871 46.730 51.005 1.00 54.08 C ATOM 108 CE1 PHE 383 8.856 48.736 52.888 1.00 54.08 C ATOM 109 CE2 PHE 383 9.121 48.026 50.629 1.00 54.08 C ATOM 110 CZ PHE 383 9.113 49.027 51.569 1.00 54.08 C ATOM 111 C PHE 383 6.571 43.395 53.049 1.00 54.08 C ATOM 112 O PHE 383 6.326 43.052 54.204 1.00 54.08 O ATOM 113 N TYR 384 6.625 42.521 52.025 1.00 98.98 N ATOM 114 CA TYR 384 6.433 41.108 52.175 1.00 98.98 C ATOM 115 CB TYR 384 6.349 40.355 50.835 1.00 98.98 C ATOM 116 CG TYR 384 6.084 38.909 51.111 1.00 98.98 C ATOM 117 CD1 TYR 384 4.789 38.465 51.259 1.00 98.98 C ATOM 118 CD2 TYR 384 7.107 37.995 51.224 1.00 98.98 C ATOM 119 CE1 TYR 384 4.515 37.141 51.507 1.00 98.98 C ATOM 120 CE2 TYR 384 6.842 36.666 51.473 1.00 98.98 C ATOM 121 CZ TYR 384 5.542 36.238 51.618 1.00 98.98 C ATOM 122 OH TYR 384 5.257 34.881 51.873 1.00 98.98 O ATOM 123 C TYR 384 7.588 40.530 52.928 1.00 98.98 C ATOM 124 O TYR 384 7.403 39.612 53.726 1.00 98.98 O ATOM 125 N CYS 385 8.821 41.025 52.670 1.00 38.43 N ATOM 126 CA CYS 385 9.957 40.400 53.298 1.00 38.43 C ATOM 127 CB CYS 385 10.952 39.791 52.298 1.00 38.43 C ATOM 128 SG CYS 385 10.219 38.398 51.396 1.00 38.43 S ATOM 129 C CYS 385 10.718 41.367 54.146 1.00 38.43 C ATOM 130 O CYS 385 10.845 42.546 53.824 1.00 38.43 O ATOM 131 N SER 386 11.260 40.845 55.266 1.00 35.92 N ATOM 132 CA SER 386 11.993 41.593 56.249 1.00 35.92 C ATOM 133 CB SER 386 12.381 40.747 57.471 1.00 35.92 C ATOM 134 OG SER 386 13.328 39.756 57.100 1.00 35.92 O ATOM 135 C SER 386 13.279 42.118 55.683 1.00 35.92 C ATOM 136 O SER 386 13.675 43.244 55.982 1.00 35.92 O ATOM 137 N SER 387 13.983 41.318 54.856 1.00 64.41 N ATOM 138 CA SER 387 15.253 41.774 54.364 1.00 64.41 C ATOM 139 CB SER 387 16.000 40.739 53.503 1.00 64.41 C ATOM 140 OG SER 387 17.247 41.269 53.072 1.00 64.41 O ATOM 141 C SER 387 15.006 42.970 53.515 1.00 64.41 C ATOM 142 O SER 387 15.761 43.940 53.552 1.00 64.41 O ATOM 143 N HIS 388 13.911 42.932 52.738 1.00 46.03 N ATOM 144 CA HIS 388 13.590 44.015 51.864 1.00 46.03 C ATOM 145 ND1 HIS 388 13.275 43.085 48.666 1.00 46.03 N ATOM 146 CG HIS 388 12.754 42.721 49.887 1.00 46.03 C ATOM 147 CB HIS 388 12.393 43.710 50.955 1.00 46.03 C ATOM 148 NE2 HIS 388 13.179 40.864 48.676 1.00 46.03 N ATOM 149 CD2 HIS 388 12.701 41.360 49.876 1.00 46.03 C ATOM 150 CE1 HIS 388 13.512 41.937 47.983 1.00 46.03 C ATOM 151 C HIS 388 13.305 45.234 52.680 1.00 46.03 C ATOM 152 O HIS 388 13.656 46.340 52.275 1.00 46.03 O ATOM 153 N LEU 389 12.653 45.081 53.847 1.00 39.70 N ATOM 154 CA LEU 389 12.381 46.236 54.656 1.00 39.70 C ATOM 155 CB LEU 389 11.575 45.929 55.932 0.50 39.70 C ATOM 156 CG LEU 389 11.302 47.164 56.826 0.50 39.70 C ATOM 157 CD1 LEU 389 10.419 48.199 56.111 0.50 39.70 C ATOM 158 CD2 LEU 389 10.727 46.753 58.192 0.50 39.70 C ATOM 159 C LEU 389 13.681 46.835 55.099 1.00 39.70 C ATOM 160 O LEU 389 13.834 48.053 55.121 1.00 39.70 O ATOM 161 N ASN 390 14.665 45.994 55.463 1.00 71.88 N ATOM 162 CA ASN 390 15.917 46.487 55.969 1.00 71.88 C ATOM 163 CB ASN 390 16.872 45.328 56.321 1.00 71.88 C ATOM 164 CG ASN 390 18.154 45.878 56.924 1.00 71.88 C ATOM 165 OD1 ASN 390 18.349 47.089 57.011 1.00 71.88 O ATOM 166 ND2 ASN 390 19.070 44.958 57.333 1.00 71.88 N ATOM 167 C ASN 390 16.581 47.344 54.930 1.00 71.88 C ATOM 168 O ASN 390 17.038 48.449 55.221 1.00 71.88 O ATOM 169 N LYS 391 16.629 46.853 53.680 1.00112.90 N ATOM 170 CA LYS 391 17.283 47.519 52.585 1.00112.90 C ATOM 171 CB LYS 391 17.193 46.663 51.316 1.00112.90 C ATOM 172 CG LYS 391 17.853 47.238 50.069 1.00112.90 C ATOM 173 CD LYS 391 17.814 46.232 48.917 1.00112.90 C ATOM 174 CE LYS 391 16.402 45.687 48.668 1.00112.90 C ATOM 175 NZ LYS 391 16.454 44.471 47.824 1.00112.90 N ATOM 176 C LYS 391 16.572 48.803 52.294 1.00112.90 C ATOM 177 O LYS 391 17.191 49.840 52.064 1.00112.90 O ATOM 178 N HIS 392 15.231 48.748 52.317 1.00 57.43 N ATOM 179 CA HIS 392 14.372 49.843 51.979 1.00 57.43 C ATOM 180 ND1 HIS 392 11.518 51.067 50.737 1.00 57.43 N ATOM 181 CG HIS 392 11.903 50.544 51.952 1.00 57.43 C ATOM 182 CB HIS 392 12.894 49.437 52.139 1.00 57.43 C ATOM 183 NE2 HIS 392 10.361 52.151 52.296 1.00 57.43 N ATOM 184 CD2 HIS 392 11.190 51.218 52.892 1.00 57.43 C ATOM 185 CE1 HIS 392 10.593 52.025 51.002 1.00 57.43 C ATOM 186 C HIS 392 14.617 51.005 52.883 1.00 57.43 C ATOM 187 O HIS 392 14.814 52.129 52.423 1.00 57.43 O ATOM 188 N MET 393 14.646 50.755 54.200 1.00 75.74 N ATOM 189 CA MET 393 14.736 51.842 55.121 1.00 75.74 C ATOM 190 CB MET 393 14.677 51.344 56.574 1.00 75.74 C ATOM 191 CG MET 393 14.361 52.428 57.602 1.00 75.74 C ATOM 192 SD MET 393 13.791 51.775 59.203 1.00 75.74 S ATOM 193 CE MET 393 15.317 50.884 59.626 1.00 75.74 C ATOM 194 C MET 393 16.017 52.557 54.877 1.00 75.74 C ATOM 195 O MET 393 16.056 53.786 54.823 1.00 75.74 O ATOM 196 N ARG 394 17.105 51.791 54.693 1.00 78.32 N ATOM 197 CA ARG 394 18.378 52.398 54.467 1.00 78.32 C ATOM 198 CB ARG 394 19.142 52.647 55.771 1.00 78.32 C ATOM 199 CG ARG 394 20.602 53.015 55.535 1.00 78.32 C ATOM 200 CD ARG 394 21.416 53.130 56.820 1.00 78.32 C ATOM 201 NE ARG 394 22.840 52.983 56.421 1.00 78.32 N ATOM 202 CZ ARG 394 23.332 51.724 56.233 1.00 78.32 C ATOM 203 NH1 ARG 394 22.502 50.645 56.351 1.00 78.32 N ATOM 204 NH2 ARG 394 24.650 51.535 55.935 1.00 78.32 N ATOM 205 C ARG 394 19.216 51.449 53.624 1.00 78.32 C ATOM 206 O ARG 394 19.759 51.913 52.586 1.00 78.32 O ATOM 207 OXT ARG 394 19.337 50.254 54.006 1.00 78.32 O