EXPDTA THEORETICAL MODEL, MODELLER 9.19 2017/10/25 12:06:50 REMARK 6 MODELLER OBJECTIVE FUNCTION: 84.1114 REMARK 6 MODELLER BEST TEMPLATE % SEQ ID: 45.455 REMARK 6 SEQUENCE: model REMARK 6 ALIGNMENT: alignment.pir REMARK 6 DOPE score: -1003.81799 REMARK 6 GA341 score: 0.74633 REMARK 6 Normalized DOPE score: -0.66568 REMARK 6 TEMPLATE: 2i13A02 75:A - 96:A MODELS 1: - 22: AT 45.5% ATOM 1 N GLU 371 -15.700 25.448 50.574 1.00 66.61 N ATOM 2 CA GLU 371 -15.990 24.059 50.997 1.00 66.61 C ATOM 3 CB GLU 371 -15.405 23.043 50.003 1.00 66.61 C ATOM 4 CG GLU 371 -16.041 23.043 48.617 1.00 66.61 C ATOM 5 CD GLU 371 -15.297 21.998 47.796 1.00 66.61 C ATOM 6 OE1 GLU 371 -15.433 20.787 48.112 1.00 66.61 O ATOM 7 OE2 GLU 371 -14.571 22.403 46.847 1.00 66.61 O ATOM 8 C GLU 371 -15.326 23.763 52.294 1.00 66.61 C ATOM 9 O GLU 371 -14.455 24.505 52.746 1.00 66.61 O ATOM 10 N LYS 372 -15.762 22.668 52.938 1.00131.80 N ATOM 11 CA LYS 372 -15.126 22.196 54.131 1.00131.80 C ATOM 12 CB LYS 372 -16.030 22.408 55.351 1.00131.80 C ATOM 13 CG LYS 372 -17.470 21.995 55.038 1.00131.80 C ATOM 14 CD LYS 372 -18.381 21.832 56.254 1.00131.80 C ATOM 15 CE LYS 372 -19.860 21.707 55.879 1.00131.80 C ATOM 16 NZ LYS 372 -20.066 20.526 55.011 1.00131.80 N ATOM 17 C LYS 372 -14.956 20.717 53.942 1.00131.80 C ATOM 18 O LYS 372 -15.733 19.931 54.476 1.00131.80 O ATOM 19 N PRO 373 -13.955 20.315 53.200 1.00106.37 N ATOM 20 CA PRO 373 -13.785 18.912 52.925 1.00106.37 C ATOM 21 CD PRO 373 -13.452 21.138 52.108 1.00106.37 C ATOM 22 CB PRO 373 -12.869 18.824 51.704 1.00106.37 C ATOM 23 CG PRO 373 -13.085 20.162 50.982 1.00106.37 C ATOM 24 C PRO 373 -13.293 18.069 54.056 1.00106.37 C ATOM 25 O PRO 373 -13.461 16.853 53.987 1.00106.37 O ATOM 26 N PHE 374 -12.678 18.660 55.096 1.00 58.89 N ATOM 27 CA PHE 374 -12.079 17.810 56.083 1.00 58.89 C ATOM 28 CB PHE 374 -10.735 18.357 56.582 1.00 58.89 C ATOM 29 CG PHE 374 -9.927 18.538 55.348 1.00 58.89 C ATOM 30 CD1 PHE 374 -9.286 17.468 54.766 1.00 58.89 C ATOM 31 CD2 PHE 374 -9.828 19.780 54.768 1.00 58.89 C ATOM 32 CE1 PHE 374 -8.547 17.639 53.618 1.00 58.89 C ATOM 33 CE2 PHE 374 -9.090 19.955 53.623 1.00 58.89 C ATOM 34 CZ PHE 374 -8.449 18.884 53.046 1.00 58.89 C ATOM 35 C PHE 374 -12.993 17.716 57.257 1.00 58.89 C ATOM 36 O PHE 374 -13.376 18.728 57.835 1.00 58.89 O ATOM 37 N SER 375 -13.353 16.477 57.649 1.00 65.91 N ATOM 38 CA SER 375 -14.246 16.303 58.759 1.00 65.91 C ATOM 39 CB SER 375 -15.514 15.513 58.388 1.00 65.91 C ATOM 40 OG SER 375 -16.358 15.371 59.521 1.00 65.91 O ATOM 41 C SER 375 -13.530 15.530 59.825 1.00 65.91 C ATOM 42 O SER 375 -12.785 14.597 59.541 1.00 65.91 O ATOM 43 N CYS 376 -13.727 15.935 61.099 1.00 35.83 N ATOM 44 CA CYS 376 -13.119 15.227 62.193 1.00 35.83 C ATOM 45 CB CYS 376 -13.004 16.058 63.485 1.00 35.83 C ATOM 46 SG CYS 376 -12.232 15.132 64.847 1.00 35.83 S ATOM 47 C CYS 376 -13.990 14.051 62.501 1.00 35.83 C ATOM 48 O CYS 376 -15.204 14.178 62.633 1.00 35.83 O ATOM 49 N THR 377 -13.390 12.856 62.632 1.00105.78 N ATOM 50 CA THR 377 -14.199 11.701 62.888 1.00105.78 C ATOM 51 CB THR 377 -13.417 10.421 62.839 1.00105.78 C ATOM 52 OG1 THR 377 -14.290 9.309 62.987 1.00105.78 O ATOM 53 CG2 THR 377 -12.358 10.429 63.955 1.00105.78 C ATOM 54 C THR 377 -14.843 11.806 64.238 1.00105.78 C ATOM 55 O THR 377 -16.011 11.456 64.405 1.00105.78 O ATOM 56 N GLN 378 -14.081 12.254 65.255 1.00109.56 N ATOM 57 CA GLN 378 -14.621 12.269 66.586 1.00109.56 C ATOM 58 CB GLN 378 -13.520 12.514 67.634 1.00109.56 C ATOM 59 CG GLN 378 -12.454 11.412 67.621 1.00109.56 C ATOM 60 CD GLN 378 -11.368 11.757 68.629 1.00109.56 C ATOM 61 OE1 GLN 378 -10.942 10.908 69.409 1.00109.56 O ATOM 62 NE2 GLN 378 -10.890 13.030 68.605 1.00109.56 N ATOM 63 C GLN 378 -15.696 13.308 66.775 1.00109.56 C ATOM 64 O GLN 378 -16.805 12.981 67.200 1.00109.56 O ATOM 65 N CYS 379 -15.379 14.588 66.476 1.00108.63 N ATOM 66 CA CYS 379 -16.273 15.707 66.668 1.00108.63 C ATOM 67 CB CYS 379 -15.569 17.060 66.493 1.00108.63 C ATOM 68 SG CYS 379 -14.237 17.332 67.684 1.00108.63 S ATOM 69 C CYS 379 -17.366 15.740 65.652 1.00108.63 C ATOM 70 O CYS 379 -18.537 15.919 65.984 1.00108.63 O ATOM 71 N GLY 380 -16.993 15.570 64.369 1.00 29.05 N ATOM 72 CA GLY 380 -17.925 15.690 63.286 1.00 29.05 C ATOM 73 C GLY 380 -17.800 17.069 62.701 1.00 29.05 C ATOM 74 O GLY 380 -18.469 17.393 61.720 1.00 29.05 O ATOM 75 N LYS 381 -16.931 17.921 63.284 1.00 68.89 N ATOM 76 CA LYS 381 -16.768 19.264 62.794 1.00 68.89 C ATOM 77 CB LYS 381 -16.043 20.191 63.786 1.00 68.89 C ATOM 78 CG LYS 381 -15.872 21.620 63.270 1.00 68.89 C ATOM 79 CD LYS 381 -15.456 22.623 64.349 1.00 68.89 C ATOM 80 CE LYS 381 -16.594 23.021 65.289 1.00 68.89 C ATOM 81 NZ LYS 381 -16.116 24.020 66.272 1.00 68.89 N ATOM 82 C LYS 381 -15.982 19.229 61.518 1.00 68.89 C ATOM 83 O LYS 381 -15.097 18.392 61.346 1.00 68.89 O ATOM 84 N SER 382 -16.290 20.151 60.577 1.00 43.14 N ATOM 85 CA SER 382 -15.623 20.150 59.302 1.00 43.14 C ATOM 86 CB SER 382 -16.584 20.084 58.104 1.00 43.14 C ATOM 87 OG SER 382 -17.270 18.841 58.096 1.00 43.14 O ATOM 88 C SER 382 -14.825 21.410 59.162 1.00 43.14 C ATOM 89 O SER 382 -15.198 22.463 59.680 1.00 43.14 O ATOM 90 N LEU 383 -13.680 21.326 58.453 1.00 52.62 N ATOM 91 CA LEU 383 -12.837 22.481 58.328 1.00 52.62 C ATOM 92 CB LEU 383 -11.560 22.391 59.179 1.00 52.62 C ATOM 93 CG LEU 383 -11.862 22.340 60.690 1.00 52.62 C ATOM 94 CD1 LEU 383 -10.573 22.372 61.527 1.00 52.62 C ATOM 95 CD2 LEU 383 -12.871 23.428 61.094 1.00 52.62 C ATOM 96 C LEU 383 -12.442 22.685 56.899 1.00 52.62 C ATOM 97 O LEU 383 -12.441 21.763 56.085 1.00 52.62 O ATOM 98 N ARG 384 -12.123 23.950 56.568 1.00125.64 N ATOM 99 CA ARG 384 -11.705 24.355 55.258 1.00125.64 C ATOM 100 CB ARG 384 -11.533 25.876 55.127 1.00125.64 C ATOM 101 CG ARG 384 -11.057 26.310 53.739 1.00125.64 C ATOM 102 CD ARG 384 -10.797 27.812 53.625 1.00125.64 C ATOM 103 NE ARG 384 -12.091 28.499 53.886 1.00125.64 N ATOM 104 CZ ARG 384 -12.297 29.763 53.412 1.00125.64 C ATOM 105 NH1 ARG 384 -11.334 30.383 52.670 1.00125.64 N ATOM 106 NH2 ARG 384 -13.469 30.404 53.685 1.00125.64 N ATOM 107 C ARG 384 -10.377 23.745 54.932 1.00125.64 C ATOM 108 O ARG 384 -10.142 23.354 53.789 1.00125.64 O ATOM 109 N ARG 385 -9.456 23.655 55.914 1.00116.35 N ATOM 110 CA ARG 385 -8.151 23.168 55.559 1.00116.35 C ATOM 111 CB ARG 385 -7.065 24.257 55.656 1.00116.35 C ATOM 112 CG ARG 385 -7.363 25.477 54.774 1.00116.35 C ATOM 113 CD ARG 385 -6.875 25.365 53.327 1.00116.35 C ATOM 114 NE ARG 385 -5.403 25.596 53.330 1.00116.35 N ATOM 115 CZ ARG 385 -4.705 25.586 52.158 1.00116.35 C ATOM 116 NH1 ARG 385 -5.348 25.322 50.983 1.00116.35 N ATOM 117 NH2 ARG 385 -3.364 25.846 52.157 1.00116.35 N ATOM 118 C ARG 385 -7.762 22.024 56.448 1.00116.35 C ATOM 119 O ARG 385 -8.158 21.946 57.610 1.00116.35 O ATOM 120 N SER 386 -6.957 21.097 55.889 1.00 66.00 N ATOM 121 CA SER 386 -6.515 19.914 56.570 1.00 66.00 C ATOM 122 CB SER 386 -5.705 18.977 55.662 1.00 66.00 C ATOM 123 OG SER 386 -5.300 17.829 56.393 1.00 66.00 O ATOM 124 C SER 386 -5.637 20.288 57.720 1.00 66.00 C ATOM 125 O SER 386 -5.676 19.651 58.772 1.00 66.00 O ATOM 126 N SER 387 -4.821 21.343 57.556 1.00 59.57 N ATOM 127 CA SER 387 -3.912 21.718 58.600 1.00 59.57 C ATOM 128 CB SER 387 -3.056 22.941 58.235 1.00 59.57 C ATOM 129 OG SER 387 -2.183 23.250 59.309 1.00 59.57 O ATOM 130 C SER 387 -4.692 22.069 59.828 1.00 59.57 C ATOM 131 O SER 387 -4.319 21.689 60.935 1.00 59.57 O ATOM 132 N SER 388 -5.803 22.807 59.657 1.00 22.16 N ATOM 133 CA SER 388 -6.586 23.218 60.787 1.00 22.16 C ATOM 134 CB SER 388 -7.725 24.180 60.406 1.00 22.16 C ATOM 135 OG SER 388 -7.183 25.407 59.940 1.00 22.16 O ATOM 136 C SER 388 -7.190 22.009 61.424 1.00 22.16 C ATOM 137 O SER 388 -7.267 21.912 62.647 1.00 22.16 O ATOM 138 N LEU 389 -7.625 21.038 60.600 1.00 91.97 N ATOM 139 CA LEU 389 -8.258 19.864 61.121 1.00 91.97 C ATOM 140 CB LEU 389 -8.723 18.923 59.991 1.00 91.97 C ATOM 141 CG LEU 389 -9.587 17.718 60.427 1.00 91.97 C ATOM 142 CD1 LEU 389 -8.820 16.725 61.313 1.00 91.97 C ATOM 143 CD2 LEU 389 -10.905 18.185 61.061 1.00 91.97 C ATOM 144 C LEU 389 -7.257 19.135 61.963 1.00 91.97 C ATOM 145 O LEU 389 -7.575 18.658 63.052 1.00 91.97 O ATOM 146 N LYS 390 -6.002 19.051 61.489 1.00114.52 N ATOM 147 CA LYS 390 -5.010 18.296 62.199 1.00114.52 C ATOM 148 CB LYS 390 -3.651 18.262 61.478 1.00114.52 C ATOM 149 CG LYS 390 -2.601 17.441 62.227 1.00114.52 C ATOM 150 CD LYS 390 -1.380 17.070 61.381 1.00114.52 C ATOM 151 CE LYS 390 -0.536 18.271 60.949 1.00114.52 C ATOM 152 NZ LYS 390 -1.213 19.008 59.859 1.00114.52 N ATOM 153 C LYS 390 -4.806 18.891 63.555 1.00114.52 C ATOM 154 O LYS 390 -4.769 18.171 64.553 1.00114.52 O ATOM 155 N GLU 391 -4.690 20.229 63.640 1.00 90.67 N ATOM 156 CA GLU 391 -4.497 20.822 64.929 1.00 90.67 C ATOM 157 CB GLU 391 -4.368 22.352 64.885 1.00 90.67 C ATOM 158 CG GLU 391 -4.232 22.988 66.272 1.00 90.67 C ATOM 159 CD GLU 391 -2.857 22.646 66.828 1.00 90.67 C ATOM 160 OE1 GLU 391 -2.008 22.147 66.043 1.00 90.67 O ATOM 161 OE2 GLU 391 -2.639 22.874 68.050 1.00 90.67 O ATOM 162 C GLU 391 -5.712 20.504 65.726 1.00 90.67 C ATOM 163 O GLU 391 -5.630 20.149 66.899 1.00 90.67 O ATOM 164 N HIS 392 -6.884 20.606 65.078 1.00 21.49 N ATOM 165 CA HIS 392 -8.117 20.320 65.738 1.00 21.49 C ATOM 166 ND1 HIS 392 -11.282 21.135 66.189 1.00 21.49 N ATOM 167 CG HIS 392 -10.627 20.163 65.468 1.00 21.49 C ATOM 168 CB HIS 392 -9.317 20.369 64.778 1.00 21.49 C ATOM 169 NE2 HIS 392 -12.546 19.308 66.287 1.00 21.49 N ATOM 170 CD2 HIS 392 -11.413 19.054 65.537 1.00 21.49 C ATOM 171 CE1 HIS 392 -12.423 20.571 66.657 1.00 21.49 C ATOM 172 C HIS 392 -8.017 18.910 66.305 1.00 21.49 C ATOM 173 O HIS 392 -8.293 18.742 67.524 1.00 21.49 O ATOM 174 OXT HIS 392 -7.671 17.981 65.528 1.00 21.49 O