EXPDTA THEORETICAL MODEL, MODELLER 9.19 2017/10/25 12:05:04 REMARK 6 MODELLER OBJECTIVE FUNCTION: 101.6201 REMARK 6 MODELLER BEST TEMPLATE % SEQ ID: 37.037 REMARK 6 SEQUENCE: model REMARK 6 ALIGNMENT: alignment.pir REMARK 6 DOPE score: -1675.70557 REMARK 6 GA341 score: 0.99732 REMARK 6 Normalized DOPE score: -0.39907 REMARK 6 TEMPLATE: 1llmC01 101:C - 127:C MODELS 1: - 27: AT 37.0% ATOM 1 N LYS 482 -13.444 49.267 57.313 1.00 99.22 N ATOM 2 CA LYS 482 -13.076 47.939 57.865 1.00 99.22 C ATOM 3 CB LYS 482 -14.015 46.852 57.326 1.00 99.22 C ATOM 4 CG LYS 482 -13.974 45.560 58.145 1.00 99.22 C ATOM 5 CD LYS 482 -14.714 45.669 59.480 1.00 99.22 C ATOM 6 CE LYS 482 -15.023 44.313 60.108 1.00 99.22 C ATOM 7 NZ LYS 482 -13.817 43.774 60.775 1.00 99.22 N ATOM 8 C LYS 482 -11.691 47.577 57.447 1.00 99.22 C ATOM 9 O LYS 482 -11.351 46.400 57.333 1.00 99.22 O ATOM 10 N ARG 483 -10.846 48.595 57.224 1.00147.20 N ATOM 11 CA ARG 483 -9.495 48.353 56.818 1.00147.20 C ATOM 12 CB ARG 483 -8.867 49.643 56.245 1.00147.20 C ATOM 13 CG ARG 483 -9.109 50.863 57.137 1.00147.20 C ATOM 14 CD ARG 483 -8.546 52.174 56.576 1.00147.20 C ATOM 15 NE ARG 483 -9.357 53.291 57.144 1.00147.20 N ATOM 16 CZ ARG 483 -9.127 53.764 58.400 1.00147.20 C ATOM 17 NH1 ARG 483 -8.145 53.210 59.167 1.00147.20 N ATOM 18 NH2 ARG 483 -9.912 54.772 58.883 1.00147.20 N ATOM 19 C ARG 483 -8.728 47.836 58.004 1.00147.20 C ATOM 20 O ARG 483 -8.093 48.587 58.739 1.00147.20 O ATOM 21 N SER 484 -8.791 46.493 58.187 1.00 61.47 N ATOM 22 CA SER 484 -8.205 45.713 59.244 1.00 61.47 C ATOM 23 CB SER 484 -8.702 44.252 59.239 1.00 61.47 C ATOM 24 OG SER 484 -10.078 44.173 59.583 1.00 61.47 O ATOM 25 C SER 484 -6.708 45.635 59.156 1.00 61.47 C ATOM 26 O SER 484 -6.035 45.652 60.182 1.00 61.47 O ATOM 27 N PHE 485 -6.117 45.539 57.949 1.00 75.25 N ATOM 28 CA PHE 485 -4.697 45.325 57.973 1.00 75.25 C ATOM 29 CB PHE 485 -4.278 44.137 57.090 1.00 75.25 C ATOM 30 CG PHE 485 -4.863 42.927 57.753 1.00 75.25 C ATOM 31 CD1 PHE 485 -6.222 42.708 57.744 1.00 75.25 C ATOM 32 CD2 PHE 485 -4.057 42.003 58.376 1.00 75.25 C ATOM 33 CE1 PHE 485 -6.776 41.601 58.352 1.00 75.25 C ATOM 34 CE2 PHE 485 -4.604 40.896 58.986 1.00 75.25 C ATOM 35 CZ PHE 485 -5.963 40.691 58.979 1.00 75.25 C ATOM 36 C PHE 485 -3.978 46.576 57.566 1.00 75.25 C ATOM 37 O PHE 485 -4.164 47.092 56.467 1.00 75.25 O ATOM 38 N THR 486 -3.096 47.079 58.458 1.00114.88 N ATOM 39 CA THR 486 -2.419 48.323 58.231 1.00114.88 C ATOM 40 CB THR 486 -2.640 49.262 59.384 0.50114.88 C ATOM 41 OG1 THR 486 -2.028 50.518 59.139 1.00114.88 O ATOM 42 CG2 THR 486 -2.099 48.613 60.671 1.00114.88 C ATOM 43 C THR 486 -0.953 48.058 58.064 1.00114.88 C ATOM 44 O THR 486 -0.402 47.175 58.720 1.00114.88 O ATOM 45 N CYS 487 -0.281 48.806 57.159 1.00 38.53 N ATOM 46 CA CYS 487 1.122 48.620 56.923 1.00 38.53 C ATOM 47 CB CYS 487 1.573 49.132 55.544 1.00 38.53 C ATOM 48 SG CYS 487 3.350 48.891 55.258 1.00 38.53 S ATOM 49 C CYS 487 1.852 49.386 57.978 1.00 38.53 C ATOM 50 O CYS 487 1.536 50.542 58.262 1.00 38.53 O ATOM 51 N THR 488 2.846 48.737 58.607 1.00 99.80 N ATOM 52 CA THR 488 3.536 49.363 59.690 1.00 99.80 C ATOM 53 CB THR 488 4.455 48.435 60.428 1.00 99.80 C ATOM 54 OG1 THR 488 4.748 48.978 61.706 1.00 99.80 O ATOM 55 CG2 THR 488 5.753 48.260 59.619 1.00 99.80 C ATOM 56 C THR 488 4.333 50.527 59.185 1.00 99.80 C ATOM 57 O THR 488 4.467 51.536 59.873 1.00 99.80 O ATOM 58 N ARG 489 4.933 50.404 57.981 1.00200.76 N ATOM 59 CA ARG 489 5.742 51.489 57.498 1.00200.76 C ATOM 60 CB ARG 489 6.366 51.180 56.130 1.00200.76 C ATOM 61 CG ARG 489 7.099 52.380 55.524 1.00200.76 C ATOM 62 CD ARG 489 8.345 52.774 56.315 1.00200.76 C ATOM 63 NE ARG 489 8.983 53.946 55.654 1.00200.76 N ATOM 64 CZ ARG 489 8.569 55.207 55.969 1.00200.76 C ATOM 65 NH1 ARG 489 7.516 55.392 56.819 1.00200.76 N ATOM 66 NH2 ARG 489 9.222 56.280 55.434 1.00200.76 N ATOM 67 C ARG 489 4.950 52.748 57.288 1.00200.76 C ATOM 68 O ARG 489 5.084 53.707 58.047 1.00200.76 O ATOM 69 N CYS 490 4.077 52.749 56.254 1.00 54.89 N ATOM 70 CA CYS 490 3.319 53.905 55.849 1.00 54.89 C ATOM 71 CB CYS 490 2.760 53.808 54.418 1.00 54.89 C ATOM 72 SG CYS 490 1.683 52.369 54.156 1.00 54.89 S ATOM 73 C CYS 490 2.192 54.195 56.780 1.00 54.89 C ATOM 74 O CYS 490 1.843 55.355 56.987 1.00 54.89 O ATOM 75 N GLY 491 1.570 53.143 57.345 1.00 25.92 N ATOM 76 CA GLY 491 0.480 53.348 58.253 1.00 25.92 C ATOM 77 C GLY 491 -0.819 53.361 57.502 1.00 25.92 C ATOM 78 O GLY 491 -1.851 53.718 58.064 1.00 25.92 O ATOM 79 N LYS 492 -0.812 52.983 56.207 1.00 52.30 N ATOM 80 CA LYS 492 -2.039 52.937 55.449 1.00 52.30 C ATOM 81 CB LYS 492 -1.808 52.858 53.929 1.00 52.30 C ATOM 82 CG LYS 492 -3.065 52.959 53.058 1.00 52.30 C ATOM 83 CD LYS 492 -2.709 53.139 51.581 1.00 52.30 C ATOM 84 CE LYS 492 -3.891 53.083 50.614 1.00 52.30 C ATOM 85 NZ LYS 492 -3.374 52.986 49.231 1.00 52.30 N ATOM 86 C LYS 492 -2.777 51.694 55.852 1.00 52.30 C ATOM 87 O LYS 492 -2.163 50.702 56.243 1.00 52.30 O ATOM 88 N SER 493 -4.127 51.702 55.775 1.00 45.56 N ATOM 89 CA SER 493 -4.857 50.520 56.157 1.00 45.56 C ATOM 90 CB SER 493 -5.984 50.776 57.179 1.00 45.56 C ATOM 91 OG SER 493 -5.452 51.245 58.410 1.00 45.56 O ATOM 92 C SER 493 -5.488 49.931 54.930 1.00 45.56 C ATOM 93 O SER 493 -5.733 50.635 53.950 1.00 45.56 O ATOM 94 N PHE 494 -5.752 48.605 54.942 1.00 65.59 N ATOM 95 CA PHE 494 -6.299 47.955 53.779 1.00 65.59 C ATOM 96 CB PHE 494 -5.278 47.069 53.045 1.00 65.59 C ATOM 97 CG PHE 494 -4.149 47.890 52.506 1.00 65.59 C ATOM 98 CD1 PHE 494 -3.175 48.368 53.351 1.00 65.59 C ATOM 99 CD2 PHE 494 -4.047 48.158 51.160 1.00 65.59 C ATOM 100 CE1 PHE 494 -2.123 49.111 52.863 1.00 65.59 C ATOM 101 CE2 PHE 494 -2.998 48.900 50.664 1.00 65.59 C ATOM 102 CZ PHE 494 -2.037 49.383 51.521 1.00 65.59 C ATOM 103 C PHE 494 -7.400 47.025 54.207 1.00 65.59 C ATOM 104 O PHE 494 -7.372 46.464 55.302 1.00 65.59 O ATOM 105 N THR 495 -8.414 46.842 53.336 1.00115.72 N ATOM 106 CA THR 495 -9.538 45.988 53.601 1.00115.72 C ATOM 107 CB THR 495 -10.652 46.136 52.612 1.00115.72 C ATOM 108 OG1 THR 495 -10.229 45.684 51.336 1.00115.72 O ATOM 109 CG2 THR 495 -11.061 47.615 52.543 1.00115.72 C ATOM 110 C THR 495 -9.129 44.544 53.565 1.00115.72 C ATOM 111 O THR 495 -9.688 43.725 54.294 1.00115.72 O ATOM 112 N HIS 496 -8.171 44.179 52.684 1.00 81.44 N ATOM 113 CA HIS 496 -7.855 42.782 52.552 1.00 81.44 C ATOM 114 ND1 HIS 496 -7.298 39.850 51.460 1.00 81.44 N ATOM 115 CG HIS 496 -8.271 40.734 51.049 1.00 81.44 C ATOM 116 CB HIS 496 -8.147 42.234 51.136 1.00 81.44 C ATOM 117 NE2 HIS 496 -8.979 38.619 50.677 1.00 81.44 N ATOM 118 CD2 HIS 496 -9.291 39.965 50.572 1.00 81.44 C ATOM 119 CE1 HIS 496 -7.774 38.602 51.216 1.00 81.44 C ATOM 120 C HIS 496 -6.395 42.574 52.831 1.00 81.44 C ATOM 121 O HIS 496 -5.552 43.400 52.486 1.00 81.44 O ATOM 122 N SER 497 -6.063 41.434 53.461 1.00 82.04 N ATOM 123 CA SER 497 -4.722 41.112 53.856 1.00 82.04 C ATOM 124 CB SER 497 -4.658 39.767 54.588 1.00 82.04 C ATOM 125 OG SER 497 -5.379 39.850 55.804 1.00 82.04 O ATOM 126 C SER 497 -3.843 40.967 52.660 1.00 82.04 C ATOM 127 O SER 497 -2.686 41.399 52.669 1.00 82.04 O ATOM 128 N SER 498 -4.372 40.353 51.593 1.00 31.23 N ATOM 129 CA SER 498 -3.574 40.063 50.440 1.00 31.23 C ATOM 130 CB SER 498 -4.379 39.335 49.352 1.00 31.23 C ATOM 131 OG SER 498 -5.446 40.151 48.897 1.00 31.23 O ATOM 132 C SER 498 -3.067 41.347 49.882 1.00 31.23 C ATOM 133 O SER 498 -1.914 41.436 49.458 1.00 31.23 O ATOM 134 N HIS 499 -3.929 42.379 49.892 1.00 44.91 N ATOM 135 CA HIS 499 -3.604 43.674 49.381 1.00 44.91 C ATOM 136 ND1 HIS 499 -6.031 44.586 47.149 1.00 44.91 N ATOM 137 CG HIS 499 -5.889 44.120 48.438 1.00 44.91 C ATOM 138 CB HIS 499 -4.823 44.613 49.380 1.00 44.91 C ATOM 139 NE2 HIS 499 -7.583 43.015 47.428 1.00 44.91 N ATOM 140 CD2 HIS 499 -6.845 43.163 48.591 1.00 44.91 C ATOM 141 CE1 HIS 499 -7.055 43.892 46.592 1.00 44.91 C ATOM 142 C HIS 499 -2.515 44.259 50.225 1.00 44.91 C ATOM 143 O HIS 499 -1.619 44.922 49.705 1.00 44.91 O ATOM 144 N LEU 500 -2.557 44.035 51.553 1.00 44.58 N ATOM 145 CA LEU 500 -1.527 44.588 52.387 1.00 44.58 C ATOM 146 CB LEU 500 -1.696 44.284 53.887 0.50 44.58 C ATOM 147 CG LEU 500 -0.449 44.675 54.705 0.50 44.58 C ATOM 148 CD1 LEU 500 -0.196 46.188 54.683 0.50 44.58 C ATOM 149 CD2 LEU 500 -0.503 44.094 56.127 0.50 44.58 C ATOM 150 C LEU 500 -0.217 43.996 51.987 1.00 44.58 C ATOM 151 O LEU 500 0.780 44.704 51.870 1.00 44.58 O ATOM 152 N LYS 501 -0.208 42.676 51.744 1.00 81.22 N ATOM 153 CA LYS 501 0.988 41.954 51.433 1.00 81.22 C ATOM 154 CB LYS 501 0.698 40.465 51.214 1.00 81.22 C ATOM 155 CG LYS 501 1.923 39.659 50.810 1.00 81.22 C ATOM 156 CD LYS 501 1.728 38.160 50.989 1.00 81.22 C ATOM 157 CE LYS 501 2.863 37.366 50.352 1.00 81.22 C ATOM 158 NZ LYS 501 2.965 36.034 50.981 1.00 81.22 N ATOM 159 C LYS 501 1.606 42.489 50.183 1.00 81.22 C ATOM 160 O LYS 501 2.815 42.709 50.131 1.00 81.22 O ATOM 161 N LYS 502 0.798 42.730 49.138 1.00130.11 N ATOM 162 CA LYS 502 1.366 43.205 47.915 1.00130.11 C ATOM 163 CB LYS 502 0.330 43.308 46.780 1.00130.11 C ATOM 164 CG LYS 502 0.947 43.246 45.381 1.00130.11 C ATOM 165 CD LYS 502 1.873 44.413 45.061 1.00130.11 C ATOM 166 CE LYS 502 1.134 45.579 44.403 1.00130.11 C ATOM 167 NZ LYS 502 1.973 46.795 44.430 1.00130.11 N ATOM 168 C LYS 502 1.939 44.565 48.182 1.00130.11 C ATOM 169 O LYS 502 2.989 44.929 47.660 1.00130.11 O ATOM 170 N HIS 503 1.256 45.343 49.039 1.00 63.34 N ATOM 171 CA HIS 503 1.647 46.683 49.358 1.00 63.34 C ATOM 172 ND1 HIS 503 0.885 49.831 49.911 1.00 63.34 N ATOM 173 CG HIS 503 1.086 48.743 50.727 1.00 63.34 C ATOM 174 CB HIS 503 0.696 47.341 50.367 1.00 63.34 C ATOM 175 NE2 HIS 503 1.810 50.599 51.779 1.00 63.34 N ATOM 176 CD2 HIS 503 1.658 49.228 51.863 1.00 63.34 C ATOM 177 CE1 HIS 503 1.336 50.916 50.589 1.00 63.34 C ATOM 178 C HIS 503 3.000 46.705 49.997 1.00 63.34 C ATOM 179 O HIS 503 3.834 47.542 49.664 1.00 63.34 O ATOM 180 N MET 504 3.280 45.764 50.909 1.00122.42 N ATOM 181 CA MET 504 4.508 45.791 51.653 1.00122.42 C ATOM 182 CB MET 504 4.634 44.650 52.679 1.00122.42 C ATOM 183 CG MET 504 5.913 44.737 53.518 1.00122.42 C ATOM 184 SD MET 504 6.140 43.429 54.769 1.00122.42 S ATOM 185 CE MET 504 4.720 43.896 55.801 1.00122.42 C ATOM 186 C MET 504 5.662 45.680 50.707 1.00122.42 C ATOM 187 O MET 504 6.736 46.223 50.956 1.00122.42 O ATOM 188 N LYS 505 5.461 44.974 49.583 1.00116.20 N ATOM 189 CA LYS 505 6.492 44.724 48.621 1.00116.20 C ATOM 190 CB LYS 505 5.917 44.011 47.393 1.00116.20 C ATOM 191 CG LYS 505 6.953 43.561 46.371 1.00116.20 C ATOM 192 CD LYS 505 7.731 42.310 46.775 1.00116.20 C ATOM 193 CE LYS 505 8.445 41.678 45.580 1.00116.20 C ATOM 194 NZ LYS 505 8.994 40.357 45.946 1.00116.20 N ATOM 195 C LYS 505 7.064 46.040 48.178 1.00116.20 C ATOM 196 O LYS 505 8.262 46.142 47.918 1.00116.20 O ATOM 197 N ILE 506 6.221 47.088 48.094 1.00 79.14 N ATOM 198 CA ILE 506 6.696 48.369 47.647 1.00 79.14 C ATOM 199 CB ILE 506 5.616 49.435 47.592 1.00 79.14 C ATOM 200 CG1 ILE 506 6.114 50.647 46.792 1.00 79.14 C ATOM 201 CG2 ILE 506 5.171 49.826 49.010 1.00 79.14 C ATOM 202 CD1 ILE 506 5.013 51.665 46.493 1.00 79.14 C ATOM 203 C ILE 506 7.773 48.829 48.583 1.00 79.14 C ATOM 204 O ILE 506 8.797 49.352 48.144 1.00 79.14 O ATOM 205 N HIS 507 7.569 48.650 49.901 1.00 84.37 N ATOM 206 CA HIS 507 8.501 49.085 50.901 1.00 84.37 C ATOM 207 ND1 HIS 507 5.413 49.431 52.347 1.00 84.37 N ATOM 208 CG HIS 507 6.711 49.873 52.451 1.00 84.37 C ATOM 209 CB HIS 507 7.910 48.987 52.315 1.00 84.37 C ATOM 210 NE2 HIS 507 5.311 51.624 52.694 1.00 84.37 N ATOM 211 CD2 HIS 507 6.630 51.215 52.663 1.00 84.37 C ATOM 212 CE1 HIS 507 4.618 50.518 52.500 1.00 84.37 C ATOM 213 C HIS 507 9.768 48.288 50.860 1.00 84.37 C ATOM 214 O HIS 507 10.857 48.838 51.002 1.00 84.37 O ATOM 215 N THR 508 9.666 46.963 50.663 1.00 19.60 N ATOM 216 CA THR 508 10.866 46.181 50.709 1.00 19.60 C ATOM 217 CB THR 508 10.609 44.776 51.139 1.00 19.60 C ATOM 218 OG1 THR 508 9.802 44.105 50.182 1.00 19.60 O ATOM 219 CG2 THR 508 9.871 44.853 52.484 1.00 19.60 C ATOM 220 C THR 508 11.503 46.145 49.331 1.00 19.60 C ATOM 221 O THR 508 11.843 45.014 48.876 1.00 19.60 O ATOM 222 OXT THR 508 11.677 47.227 48.721 1.00 19.60 O