EXPDTA THEORETICAL MODEL, MODELLER 9.19 2017/10/25 12:05:31 REMARK 6 MODELLER OBJECTIVE FUNCTION: 117.8225 REMARK 6 MODELLER BEST TEMPLATE % SEQ ID: 51.852 REMARK 6 SEQUENCE: model REMARK 6 ALIGNMENT: alignment.pir REMARK 6 DOPE score: -1878.49438 REMARK 6 GA341 score: 0.91331 REMARK 6 Normalized DOPE score: -0.82746 REMARK 6 TEMPLATE: 2i13A02 75:A - 101:A MODELS 1: - 27: AT 51.9% ATOM 1 N GLU 343 -3.031 23.720 54.371 1.00 42.62 N ATOM 2 CA GLU 343 -2.346 24.617 55.325 1.00 42.62 C ATOM 3 CB GLU 343 -1.022 25.118 54.730 1.00 42.62 C ATOM 4 CG GLU 343 -0.205 25.940 55.729 1.00 42.62 C ATOM 5 CD GLU 343 1.115 26.304 55.070 1.00 42.62 C ATOM 6 OE1 GLU 343 1.357 25.828 53.929 1.00 42.62 O ATOM 7 OE2 GLU 343 1.900 27.062 55.699 1.00 42.62 O ATOM 8 C GLU 343 -3.195 25.799 55.654 1.00 42.62 C ATOM 9 O GLU 343 -3.170 26.299 56.778 1.00 42.62 O ATOM 10 N LYS 344 -3.973 26.288 54.670 1.00128.91 N ATOM 11 CA LYS 344 -4.836 27.399 54.946 1.00128.91 C ATOM 12 CB LYS 344 -4.695 28.525 53.909 1.00128.91 C ATOM 13 CG LYS 344 -3.242 28.919 53.626 1.00128.91 C ATOM 14 CD LYS 344 -2.488 27.844 52.839 1.00128.91 C ATOM 15 CE LYS 344 -3.273 27.332 51.629 1.00128.91 C ATOM 16 NZ LYS 344 -2.542 26.224 50.976 1.00128.91 N ATOM 17 C LYS 344 -6.225 26.858 54.807 1.00128.91 C ATOM 18 O LYS 344 -6.798 26.855 53.720 1.00128.91 O ATOM 19 N PRO 345 -6.772 26.392 55.893 1.00117.19 N ATOM 20 CA PRO 345 -8.077 25.789 55.847 1.00117.19 C ATOM 21 CD PRO 345 -5.944 25.793 56.927 1.00117.19 C ATOM 22 CB PRO 345 -8.227 25.014 57.153 1.00117.19 C ATOM 23 CG PRO 345 -6.783 24.659 57.533 1.00117.19 C ATOM 24 C PRO 345 -9.239 26.693 55.590 1.00117.19 C ATOM 25 O PRO 345 -10.267 26.195 55.133 1.00117.19 O ATOM 26 N PHE 346 -9.134 28.003 55.873 1.00 57.89 N ATOM 27 CA PHE 346 -10.328 28.786 55.729 1.00 57.89 C ATOM 28 CB PHE 346 -10.589 29.701 56.935 1.00 57.89 C ATOM 29 CG PHE 346 -10.851 28.781 58.078 1.00 57.89 C ATOM 30 CD1 PHE 346 -12.108 28.257 58.282 1.00 57.89 C ATOM 31 CD2 PHE 346 -9.837 28.435 58.941 1.00 57.89 C ATOM 32 CE1 PHE 346 -12.346 27.404 59.333 1.00 57.89 C ATOM 33 CE2 PHE 346 -10.071 27.583 59.994 1.00 57.89 C ATOM 34 CZ PHE 346 -11.328 27.066 60.191 1.00 57.89 C ATOM 35 C PHE 346 -10.252 29.613 54.488 1.00 57.89 C ATOM 36 O PHE 346 -9.348 30.430 54.318 1.00 57.89 O ATOM 37 N THR 347 -11.245 29.428 53.594 1.00 97.33 N ATOM 38 CA THR 347 -11.247 30.118 52.337 1.00 97.33 C ATOM 39 CB THR 347 -11.406 29.196 51.163 1.00 97.33 C ATOM 40 OG1 THR 347 -11.204 29.904 49.950 1.00 97.33 O ATOM 41 CG2 THR 347 -12.824 28.596 51.197 1.00 97.33 C ATOM 42 C THR 347 -12.399 31.071 52.303 1.00 97.33 C ATOM 43 O THR 347 -13.501 30.757 52.751 1.00 97.33 O ATOM 44 N CYS 348 -12.151 32.287 51.778 1.00 43.40 N ATOM 45 CA CYS 348 -13.171 33.293 51.665 1.00 43.40 C ATOM 46 CB CYS 348 -12.599 34.711 51.483 1.00 43.40 C ATOM 47 SG CYS 348 -13.875 35.999 51.345 1.00 43.40 S ATOM 48 C CYS 348 -14.014 32.968 50.472 1.00 43.40 C ATOM 49 O CYS 348 -13.509 32.699 49.384 1.00 43.40 O ATOM 50 N THR 349 -15.345 33.003 50.648 1.00102.37 N ATOM 51 CA THR 349 -16.230 32.663 49.576 1.00102.37 C ATOM 52 CB THR 349 -17.665 32.587 50.009 1.00102.37 C ATOM 53 OG1 THR 349 -18.460 32.038 48.969 1.00102.37 O ATOM 54 CG2 THR 349 -18.154 33.998 50.372 1.00102.37 C ATOM 55 C THR 349 -16.128 33.677 48.477 1.00102.37 C ATOM 56 O THR 349 -16.206 33.328 47.300 1.00102.37 O ATOM 57 N GLN 350 -15.991 34.972 48.830 1.00107.01 N ATOM 58 CA GLN 350 -16.021 35.977 47.802 1.00107.01 C ATOM 59 CB GLN 350 -16.059 37.395 48.401 1.00107.01 C ATOM 60 CG GLN 350 -16.457 38.487 47.408 1.00107.01 C ATOM 61 CD GLN 350 -17.978 38.528 47.364 1.00107.01 C ATOM 62 OE1 GLN 350 -18.650 37.925 48.198 1.00107.01 O ATOM 63 NE2 GLN 350 -18.541 39.264 46.369 1.00107.01 N ATOM 64 C GLN 350 -14.824 35.925 46.882 1.00107.01 C ATOM 65 O GLN 350 -14.977 35.732 45.677 1.00107.01 O ATOM 66 N CYS 351 -13.608 36.133 47.440 1.00 79.62 N ATOM 67 CA CYS 351 -12.341 36.190 46.742 1.00 79.62 C ATOM 68 CB CYS 351 -11.309 37.059 47.482 1.00 79.62 C ATOM 69 SG CYS 351 -10.978 36.473 49.168 1.00 79.62 S ATOM 70 C CYS 351 -11.718 34.849 46.470 1.00 79.62 C ATOM 71 O CYS 351 -11.013 34.680 45.477 1.00 79.62 O ATOM 72 N ARG 352 -11.976 33.857 47.341 1.00120.86 N ATOM 73 CA ARG 352 -11.341 32.565 47.305 1.00120.86 C ATOM 74 CB ARG 352 -11.193 31.966 45.894 1.00120.86 C ATOM 75 CG ARG 352 -12.516 31.607 45.215 1.00120.86 C ATOM 76 CD ARG 352 -12.360 30.534 44.132 1.00120.86 C ATOM 77 NE ARG 352 -11.364 31.023 43.137 1.00120.86 N ATOM 78 CZ ARG 352 -11.735 31.242 41.841 1.00120.86 C ATOM 79 NH1 ARG 352 -13.018 30.995 41.447 1.00120.86 N ATOM 80 NH2 ARG 352 -10.817 31.693 40.938 1.00120.86 N ATOM 81 C ARG 352 -9.957 32.637 47.901 1.00120.86 C ATOM 82 O ARG 352 -9.145 31.735 47.697 1.00120.86 O ATOM 83 N LYS 353 -9.650 33.691 48.686 1.00117.57 N ATOM 84 CA LYS 353 -8.372 33.771 49.348 1.00117.57 C ATOM 85 CB LYS 353 -8.053 35.178 49.877 1.00117.57 C ATOM 86 CG LYS 353 -6.633 35.325 50.424 1.00117.57 C ATOM 87 CD LYS 353 -6.249 36.775 50.725 1.00117.57 C ATOM 88 CE LYS 353 -6.517 37.733 49.564 1.00117.57 C ATOM 89 NZ LYS 353 -5.668 37.379 48.406 1.00117.57 N ATOM 90 C LYS 353 -8.417 32.846 50.537 1.00117.57 C ATOM 91 O LYS 353 -9.461 32.698 51.172 1.00117.57 O ATOM 92 N SER 354 -7.275 32.205 50.881 1.00 49.02 N ATOM 93 CA SER 354 -7.279 31.266 51.974 1.00 49.02 C ATOM 94 CB SER 354 -6.682 29.894 51.610 1.00 49.02 C ATOM 95 OG SER 354 -7.488 29.250 50.635 1.00 49.02 O ATOM 96 C SER 354 -6.460 31.814 53.106 1.00 49.02 C ATOM 97 O SER 354 -5.515 32.572 52.893 1.00 49.02 O ATOM 98 N PHE 355 -6.818 31.431 54.355 1.00145.37 N ATOM 99 CA PHE 355 -6.137 31.944 55.513 1.00145.37 C ATOM 100 CB PHE 355 -6.980 32.963 56.302 1.00145.37 C ATOM 101 CG PHE 355 -7.169 34.172 55.448 1.00145.37 C ATOM 102 CD1 PHE 355 -8.242 34.265 54.593 1.00145.37 C ATOM 103 CD2 PHE 355 -6.269 35.213 55.498 1.00145.37 C ATOM 104 CE1 PHE 355 -8.419 35.377 53.803 1.00145.37 C ATOM 105 CE2 PHE 355 -6.440 36.328 54.710 1.00145.37 C ATOM 106 CZ PHE 355 -7.518 36.412 53.862 1.00145.37 C ATOM 107 C PHE 355 -5.827 30.826 56.460 1.00145.37 C ATOM 108 O PHE 355 -6.507 29.801 56.500 1.00145.37 O ATOM 109 N SER 356 -4.746 31.013 57.241 1.00 41.29 N ATOM 110 CA SER 356 -4.309 30.069 58.225 1.00 41.29 C ATOM 111 CB SER 356 -2.909 30.403 58.769 1.00 41.29 C ATOM 112 OG SER 356 -2.918 31.677 59.394 1.00 41.29 O ATOM 113 C SER 356 -5.261 30.068 59.383 1.00 41.29 C ATOM 114 O SER 356 -5.461 29.030 60.014 1.00 41.29 O ATOM 115 N CYS 357 -5.880 31.226 59.703 1.00 75.61 N ATOM 116 CA CYS 357 -6.713 31.247 60.875 1.00 75.61 C ATOM 117 CB CYS 357 -6.131 32.104 62.011 1.00 75.61 C ATOM 118 SG CYS 357 -7.188 32.101 63.486 1.00 75.61 S ATOM 119 C CYS 357 -8.074 31.790 60.550 1.00 75.61 C ATOM 120 O CYS 357 -8.240 32.642 59.678 1.00 75.61 O ATOM 121 N SER 358 -9.088 31.290 61.285 1.00 29.17 N ATOM 122 CA SER 358 -10.467 31.643 61.094 1.00 29.17 C ATOM 123 CB SER 358 -11.414 30.825 61.985 1.00 29.17 C ATOM 124 OG SER 358 -11.354 29.453 61.625 1.00 29.17 O ATOM 125 C SER 358 -10.686 33.087 61.422 1.00 29.17 C ATOM 126 O SER 358 -11.432 33.778 60.730 1.00 29.17 O ATOM 127 N SER 359 -10.038 33.585 62.491 1.00 58.21 N ATOM 128 CA SER 359 -10.252 34.941 62.904 1.00 58.21 C ATOM 129 CB SER 359 -9.485 35.304 64.187 1.00 58.21 C ATOM 130 OG SER 359 -9.737 36.656 64.543 1.00 58.21 O ATOM 131 C SER 359 -9.781 35.861 61.825 1.00 58.21 C ATOM 132 O SER 359 -10.411 36.881 61.553 1.00 58.21 O ATOM 133 N HIS 360 -8.656 35.507 61.181 1.00 48.72 N ATOM 134 CA HIS 360 -8.072 36.335 60.166 1.00 48.72 C ATOM 135 ND1 HIS 360 -4.562 34.970 60.790 1.00 48.72 N ATOM 136 CG HIS 360 -5.738 35.685 60.836 1.00 48.72 C ATOM 137 CB HIS 360 -6.710 35.797 59.696 1.00 48.72 C ATOM 138 NE2 HIS 360 -4.696 35.840 62.832 1.00 48.72 N ATOM 139 CD2 HIS 360 -5.802 36.211 62.089 1.00 48.72 C ATOM 140 CE1 HIS 360 -3.979 35.096 62.010 1.00 48.72 C ATOM 141 C HIS 360 -9.006 36.401 58.997 1.00 48.72 C ATOM 142 O HIS 360 -9.165 37.454 58.382 1.00 48.72 O ATOM 143 N LEU 361 -9.647 35.267 58.659 1.00106.00 N ATOM 144 CA LEU 361 -10.543 35.225 57.539 1.00106.00 C ATOM 145 CB LEU 361 -11.127 33.812 57.329 1.00106.00 C ATOM 146 CG LEU 361 -11.851 33.550 55.986 1.00106.00 C ATOM 147 CD1 LEU 361 -12.565 32.191 56.021 1.00106.00 C ATOM 148 CD2 LEU 361 -12.781 34.690 55.543 1.00106.00 C ATOM 149 C LEU 361 -11.684 36.151 57.847 1.00106.00 C ATOM 150 O LEU 361 -12.124 36.921 56.995 1.00106.00 O ATOM 151 N ASN 362 -12.174 36.118 59.099 1.00 46.82 N ATOM 152 CA ASN 362 -13.318 36.901 59.471 1.00 46.82 C ATOM 153 CB ASN 362 -13.729 36.689 60.938 1.00 46.82 C ATOM 154 CG ASN 362 -14.313 35.285 61.041 1.00 46.82 C ATOM 155 OD1 ASN 362 -13.739 34.402 61.677 1.00 46.82 O ATOM 156 ND2 ASN 362 -15.486 35.070 60.390 1.00 46.82 N ATOM 157 C ASN 362 -13.023 38.354 59.262 1.00 46.82 C ATOM 158 O ASN 362 -13.873 39.097 58.773 1.00 46.82 O ATOM 159 N HIS 363 -11.807 38.803 59.622 1.00 56.82 N ATOM 160 CA HIS 363 -11.475 40.190 59.460 1.00 56.82 C ATOM 161 ND1 HIS 363 -10.236 42.860 61.026 1.00 56.82 N ATOM 162 CG HIS 363 -9.822 42.020 60.016 1.00 56.82 C ATOM 163 CB HIS 363 -10.078 40.543 60.001 1.00 56.82 C ATOM 164 NE2 HIS 363 -9.196 44.132 59.529 1.00 56.82 N ATOM 165 CD2 HIS 363 -9.187 42.814 59.110 1.00 56.82 C ATOM 166 CE1 HIS 363 -9.836 44.109 60.685 1.00 56.82 C ATOM 167 C HIS 363 -11.486 40.513 57.997 1.00 56.82 C ATOM 168 O HIS 363 -11.976 41.562 57.584 1.00 56.82 O ATOM 169 N HIS 364 -10.946 39.593 57.176 1.00 49.67 N ATOM 170 CA HIS 364 -10.840 39.792 55.760 1.00 49.67 C ATOM 171 ND1 HIS 364 -9.236 39.551 52.867 1.00 49.67 N ATOM 172 CG HIS 364 -10.125 38.760 53.561 1.00 49.67 C ATOM 173 CB HIS 364 -10.155 38.612 55.053 1.00 49.67 C ATOM 174 NE2 HIS 364 -10.564 38.605 51.354 1.00 49.67 N ATOM 175 CD2 HIS 364 -10.928 38.190 52.622 1.00 49.67 C ATOM 176 CE1 HIS 364 -9.545 39.421 51.551 1.00 49.67 C ATOM 177 C HIS 364 -12.202 39.938 55.161 1.00 49.67 C ATOM 178 O HIS 364 -12.423 40.793 54.307 1.00 49.67 O ATOM 179 N MET 365 -13.166 39.118 55.609 1.00 34.91 N ATOM 180 CA MET 365 -14.481 39.145 55.033 1.00 34.91 C ATOM 181 CB MET 365 -15.426 38.089 55.629 1.00 34.91 C ATOM 182 CG MET 365 -15.014 36.655 55.291 1.00 34.91 C ATOM 183 SD MET 365 -16.123 35.381 55.962 1.00 34.91 S ATOM 184 CE MET 365 -17.500 35.807 54.857 1.00 34.91 C ATOM 185 C MET 365 -15.087 40.490 55.262 1.00 34.91 C ATOM 186 O MET 365 -15.845 40.990 54.432 1.00 34.91 O ATOM 187 N ARG 366 -14.749 41.123 56.396 1.00 99.92 N ATOM 188 CA ARG 366 -15.339 42.375 56.758 1.00 99.92 C ATOM 189 CB ARG 366 -14.763 42.916 58.080 1.00 99.92 C ATOM 190 CG ARG 366 -15.030 41.973 59.259 1.00 99.92 C ATOM 191 CD ARG 366 -14.366 42.388 60.574 1.00 99.92 C ATOM 192 NE ARG 366 -14.703 41.345 61.585 1.00 99.92 N ATOM 193 CZ ARG 366 -13.790 41.005 62.541 1.00 99.92 C ATOM 194 NH1 ARG 366 -12.574 41.623 62.569 1.00 99.92 N ATOM 195 NH2 ARG 366 -14.089 40.044 63.464 1.00 99.92 N ATOM 196 C ARG 366 -15.069 43.367 55.668 1.00 99.92 C ATOM 197 O ARG 366 -15.936 44.177 55.342 1.00 99.92 O ATOM 198 N ILE 367 -13.873 43.328 55.049 1.00 86.59 N ATOM 199 CA ILE 367 -13.594 44.326 54.056 1.00 86.59 C ATOM 200 CB ILE 367 -12.217 44.242 53.459 1.00 86.59 C ATOM 201 CG1 ILE 367 -12.034 42.944 52.658 1.00 86.59 C ATOM 202 CG2 ILE 367 -11.199 44.424 54.598 1.00 86.59 C ATOM 203 CD1 ILE 367 -10.781 42.942 51.783 1.00 86.59 C ATOM 204 C ILE 367 -14.574 44.210 52.928 1.00 86.59 C ATOM 205 O ILE 367 -15.114 45.217 52.473 1.00 86.59 O ATOM 206 N HIS 368 -14.851 42.984 52.444 1.00 34.06 N ATOM 207 CA HIS 368 -15.748 42.872 51.329 1.00 34.06 C ATOM 208 ND1 HIS 368 -14.256 41.113 48.967 1.00 34.06 N ATOM 209 CG HIS 368 -14.716 40.822 50.233 1.00 34.06 C ATOM 210 CB HIS 368 -15.948 41.425 50.843 1.00 34.06 C ATOM 211 NE2 HIS 368 -12.837 39.635 49.832 1.00 34.06 N ATOM 212 CD2 HIS 368 -13.837 39.917 50.746 1.00 34.06 C ATOM 213 CE1 HIS 368 -13.131 40.378 48.779 1.00 34.06 C ATOM 214 C HIS 368 -17.085 43.399 51.742 1.00 34.06 C ATOM 215 O HIS 368 -17.700 44.190 51.028 1.00 34.06 O ATOM 216 N THR 369 -17.560 42.985 52.931 1.00 69.81 N ATOM 217 CA THR 369 -18.844 43.410 53.406 1.00 69.81 C ATOM 218 CB THR 369 -19.123 42.967 54.812 1.00 69.81 C ATOM 219 OG1 THR 369 -19.052 41.552 54.905 1.00 69.81 O ATOM 220 CG2 THR 369 -20.527 43.452 55.206 1.00 69.81 C ATOM 221 C THR 369 -18.881 44.932 53.392 1.00 69.81 C ATOM 222 O THR 369 -18.016 45.556 54.061 1.00 69.81 O ATOM 223 OXT THR 369 -19.785 45.491 52.714 1.00 69.81 O