EXPDTA THEORETICAL MODEL, MODELLER 9.19 2017/10/25 12:19:25 REMARK 6 MODELLER OBJECTIVE FUNCTION: 103.3764 REMARK 6 MODELLER BEST TEMPLATE % SEQ ID: 39.286 REMARK 6 SEQUENCE: model REMARK 6 ALIGNMENT: alignment.pir REMARK 6 DOPE score: -1862.45129 REMARK 6 GA341 score: 0.73686 REMARK 6 Normalized DOPE score: 0.37794 REMARK 6 TEMPLATE: 1llmC01 101:C - 128:C MODELS 1: - 28: AT 39.3% ATOM 1 N LYS 439 5.309 32.528 68.326 1.00 99.27 N ATOM 2 CA LYS 439 4.595 33.529 69.145 1.00 99.27 C ATOM 3 CB LYS 439 4.430 33.028 70.586 1.00 99.27 C ATOM 4 CG LYS 439 3.582 31.765 70.664 1.00 99.27 C ATOM 5 CD LYS 439 3.439 31.165 72.059 1.00 99.27 C ATOM 6 CE LYS 439 2.765 29.796 72.007 1.00 99.27 C ATOM 7 NZ LYS 439 1.603 29.846 71.089 1.00 99.27 N ATOM 8 C LYS 439 5.367 34.797 69.200 1.00 99.27 C ATOM 9 O LYS 439 6.556 34.825 68.890 1.00 99.27 O ATOM 10 N LYS 440 4.693 35.897 69.580 1.00 91.74 N ATOM 11 CA LYS 440 5.396 37.140 69.680 1.00 91.74 C ATOM 12 CB LYS 440 4.916 38.147 68.630 1.00 91.74 C ATOM 13 CG LYS 440 5.284 37.680 67.224 1.00 91.74 C ATOM 14 CD LYS 440 4.530 38.373 66.092 1.00 91.74 C ATOM 15 CE LYS 440 5.123 38.040 64.723 1.00 91.74 C ATOM 16 NZ LYS 440 5.298 36.575 64.595 1.00 91.74 N ATOM 17 C LYS 440 5.115 37.705 71.034 1.00 91.74 C ATOM 18 O LYS 440 4.142 38.418 71.254 1.00 91.74 O ATOM 19 N PRO 441 5.989 37.373 71.936 1.00 87.04 N ATOM 20 CA PRO 441 5.919 37.761 73.319 1.00 87.04 C ATOM 21 CD PRO 441 6.968 36.332 71.693 1.00 87.04 C ATOM 22 CB PRO 441 6.933 36.874 74.046 1.00 87.04 C ATOM 23 CG PRO 441 7.870 36.369 72.934 1.00 87.04 C ATOM 24 C PRO 441 6.135 39.213 73.627 1.00 87.04 C ATOM 25 O PRO 441 5.701 39.638 74.696 1.00 87.04 O ATOM 26 N PHE 442 6.813 39.996 72.762 1.00117.44 N ATOM 27 CA PHE 442 7.094 41.342 73.180 1.00117.44 C ATOM 28 CB PHE 442 8.590 41.691 73.086 1.00117.44 C ATOM 29 CG PHE 442 9.278 40.655 73.908 1.00117.44 C ATOM 30 CD1 PHE 442 9.438 40.818 75.266 1.00117.44 C ATOM 31 CD2 PHE 442 9.743 39.505 73.314 1.00117.44 C ATOM 32 CE1 PHE 442 10.058 39.853 76.022 1.00117.44 C ATOM 33 CE2 PHE 442 10.365 38.535 74.063 1.00117.44 C ATOM 34 CZ PHE 442 10.523 38.710 75.417 1.00117.44 C ATOM 35 C PHE 442 6.320 42.277 72.310 1.00117.44 C ATOM 36 O PHE 442 6.415 42.218 71.085 1.00117.44 O ATOM 37 N ALA 443 5.551 43.192 72.941 1.00 34.70 N ATOM 38 CA ALA 443 4.683 44.063 72.204 1.00 34.70 C ATOM 39 CB ALA 443 3.216 43.977 72.658 0.50 34.70 C ATOM 40 C ALA 443 5.105 45.486 72.373 1.00 34.70 C ATOM 41 O ALA 443 5.558 45.909 73.437 1.00 34.70 O ATOM 42 N CYS 444 4.945 46.258 71.282 1.00 44.01 N ATOM 43 CA CYS 444 5.264 47.651 71.247 1.00 44.01 C ATOM 44 CB CYS 444 5.533 48.132 69.813 1.00 44.01 C ATOM 45 SG CYS 444 5.942 49.896 69.727 1.00 44.01 S ATOM 46 C CYS 444 4.055 48.371 71.754 1.00 44.01 C ATOM 47 O CYS 444 2.933 48.130 71.309 1.00 44.01 O ATOM 48 N ASP 445 4.272 49.275 72.725 1.00 40.42 N ATOM 49 CA ASP 445 3.211 49.999 73.359 1.00 40.42 C ATOM 50 CB ASP 445 3.715 50.905 74.497 1.00 40.42 C ATOM 51 CG ASP 445 4.240 50.018 75.613 1.00 40.42 C ATOM 52 OD1 ASP 445 4.127 48.770 75.485 1.00 40.42 O ATOM 53 OD2 ASP 445 4.767 50.581 76.608 1.00 40.42 O ATOM 54 C ASP 445 2.539 50.898 72.374 1.00 40.42 C ATOM 55 O ASP 445 1.314 51.016 72.377 1.00 40.42 O ATOM 56 N GLU 446 3.327 51.593 71.530 1.00120.44 N ATOM 57 CA GLU 446 2.720 52.551 70.649 1.00120.44 C ATOM 58 CB GLU 446 3.772 53.425 69.942 1.00120.44 C ATOM 59 CG GLU 446 3.202 54.658 69.233 1.00120.44 C ATOM 60 CD GLU 446 2.951 55.745 70.272 1.00120.44 C ATOM 61 OE1 GLU 446 3.085 55.449 71.489 1.00120.44 O ATOM 62 OE2 GLU 446 2.621 56.890 69.862 1.00120.44 O ATOM 63 C GLU 446 1.892 51.889 69.586 1.00120.44 C ATOM 64 O GLU 446 0.679 52.082 69.513 1.00120.44 O ATOM 65 N CYS 447 2.557 51.070 68.747 1.00 99.98 N ATOM 66 CA CYS 447 1.991 50.383 67.616 1.00 99.98 C ATOM 67 CB CYS 447 3.100 49.798 66.731 1.00 99.98 C ATOM 68 SG CYS 447 2.467 48.919 65.279 1.00 99.98 S ATOM 69 C CYS 447 1.101 49.252 68.026 1.00 99.98 C ATOM 70 O CYS 447 0.011 49.080 67.483 1.00 99.98 O ATOM 71 N GLY 448 1.547 48.445 69.004 1.00 23.57 N ATOM 72 CA GLY 448 0.780 47.303 69.411 1.00 23.57 C ATOM 73 C GLY 448 1.252 46.090 68.657 1.00 23.57 C ATOM 74 O GLY 448 0.695 45.005 68.812 1.00 23.57 O ATOM 75 N ARG 449 2.296 46.235 67.814 1.00 79.44 N ATOM 76 CA ARG 449 2.795 45.096 67.091 1.00 79.44 C ATOM 77 CB ARG 449 3.719 45.444 65.908 1.00 79.44 C ATOM 78 CG ARG 449 4.361 44.200 65.284 1.00 79.44 C ATOM 79 CD ARG 449 5.444 44.480 64.237 1.00 79.44 C ATOM 80 NE ARG 449 4.798 44.598 62.901 1.00 79.44 N ATOM 81 CZ ARG 449 4.846 43.544 62.035 1.00 79.44 C ATOM 82 NH1 ARG 449 5.479 42.390 62.399 1.00 79.44 N ATOM 83 NH2 ARG 449 4.265 43.643 60.804 1.00 79.44 N ATOM 84 C ARG 449 3.581 44.241 68.036 1.00 79.44 C ATOM 85 O ARG 449 4.211 44.743 68.964 1.00 79.44 O ATOM 86 N ARG 450 3.554 42.909 67.806 1.00 73.76 N ATOM 87 CA ARG 450 4.221 41.958 68.656 1.00 73.76 C ATOM 88 CB ARG 450 3.354 40.730 68.984 1.00 73.76 C ATOM 89 CG ARG 450 2.067 41.054 69.750 1.00 73.76 C ATOM 90 CD ARG 450 1.276 39.806 70.155 1.00 73.76 C ATOM 91 NE ARG 450 0.068 40.246 70.909 1.00 73.76 N ATOM 92 CZ ARG 450 -1.025 39.430 70.982 1.00 73.76 C ATOM 93 NH1 ARG 450 -1.031 38.238 70.318 1.00 73.76 N ATOM 94 NH2 ARG 450 -2.112 39.813 71.716 1.00 73.76 N ATOM 95 C ARG 450 5.434 41.445 67.940 1.00 73.76 C ATOM 96 O ARG 450 5.460 41.363 66.713 1.00 73.76 O ATOM 97 N PHE 451 6.489 41.090 68.706 1.00 54.26 N ATOM 98 CA PHE 451 7.698 40.631 68.081 1.00 54.26 C ATOM 99 CB PHE 451 8.858 41.638 68.184 1.00 54.26 C ATOM 100 CG PHE 451 8.426 42.883 67.486 1.00 54.26 C ATOM 101 CD1 PHE 451 7.712 43.852 68.156 1.00 54.26 C ATOM 102 CD2 PHE 451 8.725 43.088 66.160 1.00 54.26 C ATOM 103 CE1 PHE 451 7.301 45.004 67.526 1.00 54.26 C ATOM 104 CE2 PHE 451 8.319 44.236 65.523 1.00 54.26 C ATOM 105 CZ PHE 451 7.606 45.196 66.201 1.00 54.26 C ATOM 106 C PHE 451 8.166 39.386 68.768 1.00 54.26 C ATOM 107 O PHE 451 7.891 39.156 69.944 1.00 54.26 O ATOM 108 N ILE 452 8.899 38.544 68.016 1.00140.23 N ATOM 109 CA ILE 452 9.442 37.306 68.494 1.00140.23 C ATOM 110 CB ILE 452 10.054 36.492 67.382 1.00140.23 C ATOM 111 CG1 ILE 452 10.409 35.054 67.820 1.00140.23 C ATOM 112 CG2 ILE 452 11.238 37.294 66.821 1.00140.23 C ATOM 113 CD1 ILE 452 11.576 34.935 68.803 1.00140.23 C ATOM 114 C ILE 452 10.490 37.563 69.539 1.00140.23 C ATOM 115 O ILE 452 10.564 36.832 70.527 1.00140.23 O ATOM 116 N CYS 453 11.354 38.581 69.354 1.00 81.98 N ATOM 117 CA CYS 453 12.421 38.742 70.307 1.00 81.98 C ATOM 118 CB CYS 453 13.803 38.419 69.713 1.00 81.98 C ATOM 119 SG CYS 453 14.155 39.376 68.212 1.00 81.98 S ATOM 120 C CYS 453 12.445 40.129 70.883 1.00 81.98 C ATOM 121 O CYS 453 12.023 41.101 70.258 1.00 81.98 O ATOM 122 N LYS 454 12.965 40.231 72.125 1.00 70.96 N ATOM 123 CA LYS 454 13.018 41.451 72.886 1.00 70.96 C ATOM 124 CB LYS 454 13.676 41.278 74.268 1.00 70.96 C ATOM 125 CG LYS 454 12.938 40.376 75.249 1.00 70.96 C ATOM 126 CD LYS 454 13.709 40.132 76.550 1.00 70.96 C ATOM 127 CE LYS 454 14.779 39.042 76.472 1.00 70.96 C ATOM 128 NZ LYS 454 15.438 38.907 77.791 1.00 70.96 N ATOM 129 C LYS 454 13.869 42.478 72.208 1.00 70.96 C ATOM 130 O LYS 454 13.487 43.643 72.110 1.00 70.96 O ATOM 131 N ASN 455 15.059 42.082 71.725 1.00 39.64 N ATOM 132 CA ASN 455 15.949 43.064 71.177 1.00 39.64 C ATOM 133 CB ASN 455 17.367 42.534 70.879 1.00 39.64 C ATOM 134 CG ASN 455 17.343 41.457 69.808 1.00 39.64 C ATOM 135 OD1 ASN 455 16.344 40.768 69.610 1.00 39.64 O ATOM 136 ND2 ASN 455 18.494 41.303 69.099 1.00 39.64 N ATOM 137 C ASN 455 15.348 43.656 69.942 1.00 39.64 C ATOM 138 O ASN 455 15.524 44.840 69.656 1.00 39.64 O ATOM 139 N TYR 456 14.613 42.836 69.173 1.00129.58 N ATOM 140 CA TYR 456 14.030 43.293 67.947 1.00129.58 C ATOM 141 CB TYR 456 13.353 42.152 67.166 1.00129.58 C ATOM 142 CG TYR 456 13.254 42.565 65.739 1.00129.58 C ATOM 143 CD1 TYR 456 14.364 42.417 64.941 1.00129.58 C ATOM 144 CD2 TYR 456 12.104 43.077 65.184 1.00129.58 C ATOM 145 CE1 TYR 456 14.347 42.778 63.616 1.00129.58 C ATOM 146 CE2 TYR 456 12.081 43.441 63.854 1.00129.58 C ATOM 147 CZ TYR 456 13.199 43.291 63.068 1.00129.58 C ATOM 148 OH TYR 456 13.177 43.663 61.707 1.00129.58 O ATOM 149 C TYR 456 13.008 44.336 68.301 1.00129.58 C ATOM 150 O TYR 456 12.847 45.331 67.596 1.00129.58 O ATOM 151 N LEU 457 12.273 44.119 69.408 1.00 43.03 N ATOM 152 CA LEU 457 11.271 45.046 69.852 1.00 43.03 C ATOM 153 CB LEU 457 10.519 44.539 71.095 0.50 43.03 C ATOM 154 CG LEU 457 9.436 45.505 71.607 0.50 43.03 C ATOM 155 CD1 LEU 457 8.317 45.693 70.573 0.50 43.03 C ATOM 156 CD2 LEU 457 8.910 45.062 72.980 0.50 43.03 C ATOM 157 C LEU 457 11.922 46.349 70.216 1.00 43.03 C ATOM 158 O LEU 457 11.419 47.418 69.877 1.00 43.03 O ATOM 159 N ASN 458 13.076 46.301 70.911 1.00 30.11 N ATOM 160 CA ASN 458 13.699 47.517 71.356 1.00 30.11 C ATOM 161 CB ASN 458 14.978 47.279 72.179 1.00 30.11 C ATOM 162 CG ASN 458 14.573 46.665 73.513 1.00 30.11 C ATOM 163 OD1 ASN 458 13.417 46.754 73.922 1.00 30.11 O ATOM 164 ND2 ASN 458 15.553 46.039 74.221 1.00 30.11 N ATOM 165 C ASN 458 14.074 48.349 70.172 1.00 30.11 C ATOM 166 O ASN 458 13.853 49.557 70.160 1.00 30.11 O ATOM 167 N LEU 459 14.658 47.723 69.136 1.00 40.05 N ATOM 168 CA LEU 459 15.074 48.461 67.979 1.00 40.05 C ATOM 169 CB LEU 459 15.915 47.612 67.012 1.00 40.05 C ATOM 170 CG LEU 459 17.250 47.159 67.642 1.00 40.05 C ATOM 171 CD1 LEU 459 18.097 46.328 66.663 1.00 40.05 C ATOM 172 CD2 LEU 459 18.020 48.350 68.238 1.00 40.05 C ATOM 173 C LEU 459 13.870 49.003 67.260 1.00 40.05 C ATOM 174 O LEU 459 13.901 50.121 66.751 1.00 40.05 O ATOM 175 N HIS 460 12.768 48.226 67.220 1.00 62.18 N ATOM 176 CA HIS 460 11.581 48.620 66.510 1.00 62.18 C ATOM 177 ND1 HIS 460 8.862 47.865 64.631 1.00 62.18 N ATOM 178 CG HIS 460 9.162 48.060 65.962 1.00 62.18 C ATOM 179 CB HIS 460 10.430 47.606 66.631 1.00 62.18 C ATOM 180 NE2 HIS 460 7.132 48.943 65.524 1.00 62.18 N ATOM 181 CD2 HIS 460 8.096 48.720 66.491 1.00 62.18 C ATOM 182 CE1 HIS 460 7.636 48.413 64.425 1.00 62.18 C ATOM 183 C HIS 460 11.053 49.897 67.076 1.00 62.18 C ATOM 184 O HIS 460 10.638 50.785 66.333 1.00 62.18 O ATOM 185 N MET 461 11.077 50.041 68.411 1.00136.27 N ATOM 186 CA MET 461 10.501 51.207 69.022 1.00136.27 C ATOM 187 CB MET 461 10.475 51.174 70.565 1.00136.27 C ATOM 188 CG MET 461 11.823 51.327 71.270 1.00136.27 C ATOM 189 SD MET 461 11.707 51.252 73.087 1.00136.27 S ATOM 190 CE MET 461 10.846 52.835 73.314 1.00136.27 C ATOM 191 C MET 461 11.250 52.411 68.551 1.00136.27 C ATOM 192 O MET 461 10.705 53.510 68.456 1.00136.27 O ATOM 193 N LYS 462 12.534 52.228 68.223 1.00109.38 N ATOM 194 CA LYS 462 13.358 53.308 67.771 1.00109.38 C ATOM 195 CB LYS 462 14.762 52.831 67.371 1.00109.38 C ATOM 196 CG LYS 462 15.550 52.214 68.527 1.00109.38 C ATOM 197 CD LYS 462 15.740 53.158 69.714 1.00109.38 C ATOM 198 CE LYS 462 16.546 52.545 70.858 1.00109.38 C ATOM 199 NZ LYS 462 17.901 53.137 70.890 1.00109.38 N ATOM 200 C LYS 462 12.718 53.929 66.565 1.00109.38 C ATOM 201 O LYS 462 12.868 55.128 66.335 1.00109.38 O ATOM 202 N ILE 463 11.987 53.145 65.754 1.00 37.99 N ATOM 203 CA ILE 463 11.401 53.714 64.576 1.00 37.99 C ATOM 204 CB ILE 463 10.522 52.743 63.845 1.00 37.99 C ATOM 205 CG1 ILE 463 11.315 51.514 63.383 1.00 37.99 C ATOM 206 CG2 ILE 463 9.812 53.504 62.711 1.00 37.99 C ATOM 207 CD1 ILE 463 10.415 50.361 62.938 1.00 37.99 C ATOM 208 C ILE 463 10.489 54.826 64.993 1.00 37.99 C ATOM 209 O ILE 463 10.510 55.911 64.414 1.00 37.99 O ATOM 210 N HIS 464 9.653 54.582 66.016 1.00 84.01 N ATOM 211 CA HIS 464 8.686 55.556 66.428 1.00 84.01 C ATOM 212 ND1 HIS 464 7.607 52.494 67.158 1.00 84.01 N ATOM 213 CG HIS 464 7.062 53.757 67.060 1.00 84.01 C ATOM 214 CB HIS 464 7.761 55.004 67.524 1.00 84.01 C ATOM 215 NE2 HIS 464 5.617 52.248 66.200 1.00 84.01 N ATOM 216 CD2 HIS 464 5.846 53.585 66.472 1.00 84.01 C ATOM 217 CE1 HIS 464 6.703 51.633 66.631 1.00 84.01 C ATOM 218 C HIS 464 9.390 56.775 66.940 1.00 84.01 C ATOM 219 O HIS 464 9.042 57.896 66.570 1.00 84.01 O ATOM 220 N THR 465 10.416 56.588 67.795 1.00 81.52 N ATOM 221 CA THR 465 11.128 57.703 68.354 1.00 81.52 C ATOM 222 CB THR 465 12.145 57.302 69.394 1.00 81.52 C ATOM 223 OG1 THR 465 12.756 58.459 69.940 1.00 81.52 O ATOM 224 CG2 THR 465 13.225 56.413 68.758 1.00 81.52 C ATOM 225 C THR 465 11.839 58.447 67.267 1.00 81.52 C ATOM 226 O THR 465 11.795 59.675 67.210 1.00 81.52 O ATOM 227 N GLU 466 12.498 57.711 66.356 1.00 64.20 N ATOM 228 CA GLU 466 13.249 58.324 65.304 1.00 64.20 C ATOM 229 CB GLU 466 13.825 57.313 64.304 1.00 64.20 C ATOM 230 CG GLU 466 14.990 56.487 64.850 1.00 64.20 C ATOM 231 CD GLU 466 16.257 57.319 64.731 1.00 64.20 C ATOM 232 OE1 GLU 466 16.164 58.569 64.862 1.00 64.20 O ATOM 233 OE2 GLU 466 17.336 56.709 64.503 1.00 64.20 O ATOM 234 C GLU 466 12.313 59.232 64.532 1.00 64.20 C ATOM 235 O GLU 466 11.348 58.716 63.908 1.00 64.20 O ATOM 236 OXT GLU 466 12.560 60.466 64.551 1.00 64.20 O