EXPDTA THEORETICAL MODEL, MODELLER 9.19 2017/10/25 12:02:26 REMARK 6 MODELLER OBJECTIVE FUNCTION: 110.4503 REMARK 6 MODELLER BEST TEMPLATE % SEQ ID: 48.000 REMARK 6 SEQUENCE: model REMARK 6 ALIGNMENT: alignment.pir REMARK 6 DOPE score: -1626.42505 REMARK 6 GA341 score: 0.97411 REMARK 6 Normalized DOPE score: 0.03747 REMARK 6 TEMPLATE: 2i13A02 75:A - 99:A MODELS 1: - 25: AT 48.0% ATOM 1 N LYS 426 -30.561 30.426 60.859 1.00103.00 N ATOM 2 CA LYS 426 -29.801 31.653 60.537 1.00103.00 C ATOM 3 CB LYS 426 -30.133 32.765 61.545 1.00103.00 C ATOM 4 CG LYS 426 -31.606 33.183 61.528 1.00103.00 C ATOM 5 CD LYS 426 -32.022 34.031 62.734 1.00103.00 C ATOM 6 CE LYS 426 -31.964 33.274 64.063 1.00103.00 C ATOM 7 NZ LYS 426 -32.878 32.113 64.020 1.00103.00 N ATOM 8 C LYS 426 -28.335 31.382 60.614 1.00103.00 C ATOM 9 O LYS 426 -27.914 30.306 61.035 1.00103.00 O ATOM 10 N LYS 427 -27.510 32.352 60.176 1.00 94.50 N ATOM 11 CA LYS 427 -26.094 32.154 60.266 1.00 94.50 C ATOM 12 CB LYS 427 -25.405 32.124 58.892 1.00 94.50 C ATOM 13 CG LYS 427 -25.987 31.051 57.975 1.00 94.50 C ATOM 14 CD LYS 427 -27.420 31.367 57.539 1.00 94.50 C ATOM 15 CE LYS 427 -28.060 30.304 56.653 1.00 94.50 C ATOM 16 NZ LYS 427 -29.465 30.669 56.376 1.00 94.50 N ATOM 17 C LYS 427 -25.566 33.332 61.011 1.00 94.50 C ATOM 18 O LYS 427 -25.288 34.386 60.442 1.00 94.50 O ATOM 19 N PRO 428 -25.442 33.167 62.292 1.00111.21 N ATOM 20 CA PRO 428 -24.987 34.234 63.139 1.00111.21 C ATOM 21 CD PRO 428 -26.277 32.221 63.010 1.00111.21 C ATOM 22 CB PRO 428 -25.439 33.871 64.557 1.00111.21 C ATOM 23 CG PRO 428 -25.858 32.393 64.474 1.00111.21 C ATOM 24 C PRO 428 -23.536 34.598 63.055 1.00111.21 C ATOM 25 O PRO 428 -23.209 35.721 63.432 1.00111.21 O ATOM 26 N PHE 429 -22.647 33.705 62.580 1.00 62.55 N ATOM 27 CA PHE 429 -21.247 34.034 62.638 1.00 62.55 C ATOM 28 CB PHE 429 -20.388 32.834 63.077 1.00 62.55 C ATOM 29 CG PHE 429 -20.913 32.448 64.422 1.00 62.55 C ATOM 30 CD1 PHE 429 -20.601 33.189 65.540 1.00 62.55 C ATOM 31 CD2 PHE 429 -21.724 31.342 64.561 1.00 62.55 C ATOM 32 CE1 PHE 429 -21.093 32.835 66.774 1.00 62.55 C ATOM 33 CE2 PHE 429 -22.220 30.981 65.792 1.00 62.55 C ATOM 34 CZ PHE 429 -21.901 31.730 66.900 1.00 62.55 C ATOM 35 C PHE 429 -20.788 34.505 61.289 1.00 62.55 C ATOM 36 O PHE 429 -20.945 33.806 60.290 1.00 62.55 O ATOM 37 N THR 430 -20.177 35.709 61.240 1.00103.23 N ATOM 38 CA THR 430 -19.778 36.298 59.995 1.00103.23 C ATOM 39 CB THR 430 -20.324 37.687 59.819 1.00103.23 C ATOM 40 OG1 THR 430 -20.055 38.160 58.506 1.00103.23 O ATOM 41 CG2 THR 430 -19.694 38.605 60.885 1.00103.23 C ATOM 42 C THR 430 -18.285 36.404 59.934 1.00103.23 C ATOM 43 O THR 430 -17.628 36.768 60.909 1.00103.23 O ATOM 44 N CYS 431 -17.714 36.060 58.762 1.00 49.66 N ATOM 45 CA CYS 431 -16.300 36.197 58.549 1.00 49.66 C ATOM 46 CB CYS 431 -15.785 35.349 57.373 1.00 49.66 C ATOM 47 SG CYS 431 -14.027 35.626 56.995 1.00 49.66 S ATOM 48 C CYS 431 -16.057 37.627 58.200 1.00 49.66 C ATOM 49 O CYS 431 -16.670 38.159 57.277 1.00 49.66 O ATOM 50 N PRO 432 -15.183 38.279 58.908 1.00 79.46 N ATOM 51 CA PRO 432 -14.972 39.665 58.603 1.00 79.46 C ATOM 52 CD PRO 432 -14.994 38.004 60.324 1.00 79.46 C ATOM 53 CB PRO 432 -14.168 40.231 59.769 1.00 79.46 C ATOM 54 CG PRO 432 -14.618 39.359 60.956 1.00 79.46 C ATOM 55 C PRO 432 -14.383 39.947 57.258 1.00 79.46 C ATOM 56 O PRO 432 -14.723 40.972 56.669 1.00 79.46 O ATOM 57 N GLN 433 -13.456 39.099 56.776 1.00103.91 N ATOM 58 CA GLN 433 -12.830 39.419 55.527 1.00103.91 C ATOM 59 CB GLN 433 -11.533 38.601 55.336 1.00103.91 C ATOM 60 CG GLN 433 -10.581 39.118 54.251 1.00103.91 C ATOM 61 CD GLN 433 -10.673 38.223 53.025 1.00103.91 C ATOM 62 OE1 GLN 433 -11.725 38.100 52.399 1.00103.91 O ATOM 63 NE2 GLN 433 -9.533 37.568 52.678 1.00103.91 N ATOM 64 C GLN 433 -13.764 39.199 54.365 1.00103.91 C ATOM 65 O GLN 433 -14.024 40.110 53.579 1.00103.91 O ATOM 66 N CYS 434 -14.290 37.961 54.252 1.00101.29 N ATOM 67 CA CYS 434 -15.147 37.489 53.192 1.00101.29 C ATOM 68 CB CYS 434 -15.222 35.953 53.200 1.00101.29 C ATOM 69 SG CYS 434 -16.301 35.280 51.908 1.00101.29 S ATOM 70 C CYS 434 -16.553 38.006 53.287 1.00101.29 C ATOM 71 O CYS 434 -17.139 38.431 52.292 1.00101.29 O ATOM 72 N GLY 435 -17.140 37.986 54.499 1.00 27.32 N ATOM 73 CA GLY 435 -18.511 38.387 54.665 1.00 27.32 C ATOM 74 C GLY 435 -19.389 37.166 54.648 1.00 27.32 C ATOM 75 O GLY 435 -20.606 37.271 54.799 1.00 27.32 O ATOM 76 N LYS 436 -18.794 35.970 54.470 1.00 60.54 N ATOM 77 CA LYS 436 -19.561 34.751 54.444 1.00 60.54 C ATOM 78 CB LYS 436 -18.740 33.538 53.951 1.00 60.54 C ATOM 79 CG LYS 436 -19.565 32.299 53.599 1.00 60.54 C ATOM 80 CD LYS 436 -18.776 31.283 52.772 1.00 60.54 C ATOM 81 CE LYS 436 -19.611 30.108 52.264 1.00 60.54 C ATOM 82 NZ LYS 436 -18.792 29.278 51.353 1.00 60.54 N ATOM 83 C LYS 436 -20.051 34.478 55.840 1.00 60.54 C ATOM 84 O LYS 436 -19.369 34.779 56.818 1.00 60.54 O ATOM 85 N SER 437 -21.269 33.903 55.972 1.00 93.21 N ATOM 86 CA SER 437 -21.803 33.662 57.286 1.00 93.21 C ATOM 87 CB SER 437 -23.151 34.361 57.525 1.00 93.21 C ATOM 88 OG SER 437 -24.089 33.947 56.545 1.00 93.21 O ATOM 89 C SER 437 -21.983 32.185 57.494 1.00 93.21 C ATOM 90 O SER 437 -22.228 31.433 56.551 1.00 93.21 O ATOM 91 N PHE 438 -21.857 31.730 58.762 1.00151.44 N ATOM 92 CA PHE 438 -21.940 30.325 59.065 1.00151.44 C ATOM 93 CB PHE 438 -20.579 29.710 59.454 1.00151.44 C ATOM 94 CG PHE 438 -19.685 29.695 58.261 1.00151.44 C ATOM 95 CD1 PHE 438 -18.914 30.791 57.949 1.00151.44 C ATOM 96 CD2 PHE 438 -19.620 28.584 57.451 1.00151.44 C ATOM 97 CE1 PHE 438 -18.092 30.775 56.847 1.00151.44 C ATOM 98 CE2 PHE 438 -18.798 28.563 56.348 1.00151.44 C ATOM 99 CZ PHE 438 -18.031 29.661 56.044 1.00151.44 C ATOM 100 C PHE 438 -22.843 30.118 60.244 1.00151.44 C ATOM 101 O PHE 438 -23.047 31.004 61.072 1.00151.44 O ATOM 102 N SER 439 -23.440 28.914 60.314 1.00 79.09 N ATOM 103 CA SER 439 -24.301 28.549 61.397 1.00 79.09 C ATOM 104 CB SER 439 -25.114 27.281 61.104 1.00 79.09 C ATOM 105 OG SER 439 -25.936 26.980 62.220 1.00 79.09 O ATOM 106 C SER 439 -23.487 28.280 62.631 1.00 79.09 C ATOM 107 O SER 439 -23.940 28.538 63.746 1.00 79.09 O ATOM 108 N LEU 440 -22.258 27.743 62.464 1.00 83.27 N ATOM 109 CA LEU 440 -21.484 27.366 63.614 1.00 83.27 C ATOM 110 CB LEU 440 -21.068 25.883 63.616 1.00 83.27 C ATOM 111 CG LEU 440 -22.248 24.893 63.645 1.00 83.27 C ATOM 112 CD1 LEU 440 -23.099 25.018 62.373 1.00 83.27 C ATOM 113 CD2 LEU 440 -21.773 23.453 63.910 1.00 83.27 C ATOM 114 C LEU 440 -20.212 28.152 63.662 1.00 83.27 C ATOM 115 O LEU 440 -19.613 28.474 62.636 1.00 83.27 O ATOM 116 N SER 441 -19.776 28.478 64.894 1.00 66.87 N ATOM 117 CA SER 441 -18.567 29.212 65.129 1.00 66.87 C ATOM 118 CB SER 441 -18.362 29.573 66.609 1.00 66.87 C ATOM 119 OG SER 441 -18.206 28.396 67.388 1.00 66.87 O ATOM 120 C SER 441 -17.396 28.375 64.719 1.00 66.87 C ATOM 121 O SER 441 -16.418 28.888 64.179 1.00 66.87 O ATOM 122 N SER 442 -17.467 27.054 64.965 1.00 61.11 N ATOM 123 CA SER 442 -16.365 26.188 64.658 1.00 61.11 C ATOM 124 CB SER 442 -16.626 24.727 65.064 1.00 61.11 C ATOM 125 OG SER 442 -15.515 23.915 64.713 1.00 61.11 O ATOM 126 C SER 442 -16.115 26.192 63.187 1.00 61.11 C ATOM 127 O SER 442 -14.965 26.197 62.751 1.00 61.11 O ATOM 128 N SER 443 -17.190 26.180 62.377 1.00 64.94 N ATOM 129 CA SER 443 -17.029 26.121 60.952 1.00 64.94 C ATOM 130 CB SER 443 -18.355 25.892 60.208 1.00 64.94 C ATOM 131 OG SER 443 -18.124 25.851 58.807 1.00 64.94 O ATOM 132 C SER 443 -16.433 27.405 60.461 1.00 64.94 C ATOM 133 O SER 443 -15.618 27.406 59.540 1.00 64.94 O ATOM 134 N LEU 444 -16.823 28.538 61.077 1.00110.06 N ATOM 135 CA LEU 444 -16.333 29.822 60.659 1.00110.06 C ATOM 136 CB LEU 444 -16.982 30.960 61.469 1.00110.06 C ATOM 137 CG LEU 444 -16.807 32.393 60.915 1.00110.06 C ATOM 138 CD1 LEU 444 -17.260 33.427 61.954 1.00110.06 C ATOM 139 CD2 LEU 444 -15.402 32.682 60.367 1.00110.06 C ATOM 140 C LEU 444 -14.851 29.833 60.911 1.00110.06 C ATOM 141 O LEU 444 -14.062 30.309 60.095 1.00110.06 O ATOM 142 N TYR 445 -14.435 29.241 62.045 1.00 93.78 N ATOM 143 CA TYR 445 -13.061 29.229 62.467 1.00 93.78 C ATOM 144 CB TYR 445 -12.891 28.403 63.756 1.00 93.78 C ATOM 145 CG TYR 445 -11.467 28.426 64.200 1.00 93.78 C ATOM 146 CD1 TYR 445 -10.579 27.476 63.753 1.00 93.78 C ATOM 147 CD2 TYR 445 -11.026 29.400 65.067 1.00 93.78 C ATOM 148 CE1 TYR 445 -9.271 27.492 64.167 1.00 93.78 C ATOM 149 CE2 TYR 445 -9.717 29.421 65.486 1.00 93.78 C ATOM 150 CZ TYR 445 -8.839 28.467 65.032 1.00 93.78 C ATOM 151 OH TYR 445 -7.495 28.483 65.457 1.00 93.78 O ATOM 152 C TYR 445 -12.248 28.567 61.396 1.00 93.78 C ATOM 153 O TYR 445 -11.198 29.076 61.007 1.00 93.78 O ATOM 154 N ARG 446 -12.718 27.414 60.880 1.00 60.85 N ATOM 155 CA ARG 446 -11.989 26.716 59.856 1.00 60.85 C ATOM 156 CB ARG 446 -12.592 25.352 59.485 1.00 60.85 C ATOM 157 CG ARG 446 -12.093 24.212 60.373 1.00 60.85 C ATOM 158 CD ARG 446 -12.684 22.846 60.014 1.00 60.85 C ATOM 159 NE ARG 446 -11.811 21.804 60.623 1.00 60.85 N ATOM 160 CZ ARG 446 -11.959 20.496 60.261 1.00 60.85 C ATOM 161 NH1 ARG 446 -12.950 20.129 59.397 1.00 60.85 N ATOM 162 NH2 ARG 446 -11.110 19.554 60.763 1.00 60.85 N ATOM 163 C ARG 446 -11.939 27.544 58.613 1.00 60.85 C ATOM 164 O ARG 446 -10.915 27.592 57.932 1.00 60.85 O ATOM 165 N HIS 447 -13.049 28.236 58.300 1.00 52.98 N ATOM 166 CA HIS 447 -13.144 29.027 57.108 1.00 52.98 C ATOM 167 ND1 HIS 447 -14.604 30.182 54.483 1.00 52.98 N ATOM 168 CG HIS 447 -14.565 30.639 55.782 1.00 52.98 C ATOM 169 CB HIS 447 -14.496 29.747 56.984 1.00 52.98 C ATOM 170 NE2 HIS 447 -14.646 32.403 54.378 1.00 52.98 N ATOM 171 CD2 HIS 447 -14.591 31.997 55.700 1.00 52.98 C ATOM 172 CE1 HIS 447 -14.651 31.277 53.684 1.00 52.98 C ATOM 173 C HIS 447 -12.091 30.077 57.158 1.00 52.98 C ATOM 174 O HIS 447 -11.465 30.392 56.148 1.00 52.98 O ATOM 175 N LEU 448 -11.858 30.630 58.359 1.00 41.33 N ATOM 176 CA LEU 448 -10.892 31.671 58.518 1.00 41.33 C ATOM 177 CB LEU 448 -10.677 32.081 59.984 1.00 41.33 C ATOM 178 CG LEU 448 -11.919 32.683 60.658 1.00 41.33 C ATOM 179 CD1 LEU 448 -11.599 33.123 62.095 1.00 41.33 C ATOM 180 CD2 LEU 448 -12.535 33.799 59.799 1.00 41.33 C ATOM 181 C LEU 448 -9.585 31.129 58.046 1.00 41.33 C ATOM 182 O LEU 448 -8.812 31.843 57.410 1.00 41.33 O ATOM 183 N LYS 449 -9.319 29.838 58.330 1.00136.84 N ATOM 184 CA LYS 449 -8.056 29.249 57.986 1.00136.84 C ATOM 185 CB LYS 449 -7.964 27.753 58.335 1.00136.84 C ATOM 186 CG LYS 449 -6.532 27.207 58.362 1.00136.84 C ATOM 187 CD LYS 449 -5.761 27.327 57.043 1.00136.84 C ATOM 188 CE LYS 449 -6.135 26.273 55.999 1.00136.84 C ATOM 189 NZ LYS 449 -5.289 26.429 54.792 1.00136.84 N ATOM 190 C LYS 449 -7.853 29.363 56.509 1.00136.84 C ATOM 191 O LYS 449 -6.755 29.692 56.064 1.00136.84 O ATOM 192 N ILE 450 -8.910 29.109 55.710 1.00 16.55 N ATOM 193 CA ILE 450 -8.755 29.172 54.286 1.00 16.55 C ATOM 194 CB ILE 450 -10.033 28.997 53.522 1.00 16.55 C ATOM 195 CG1 ILE 450 -10.649 27.611 53.772 1.00 16.55 C ATOM 196 CG2 ILE 450 -9.717 29.276 52.042 1.00 16.55 C ATOM 197 CD1 ILE 450 -12.110 27.515 53.334 1.00 16.55 C ATOM 198 C ILE 450 -8.221 30.548 53.921 1.00 16.55 C ATOM 199 O ILE 450 -6.989 30.652 53.684 1.00 16.55 O ATOM 200 OXT ILE 450 -9.031 31.512 53.874 1.00 16.55 O