EXPDTA THEORETICAL MODEL, MODELLER 9.19 2017/10/25 12:03:32 REMARK 6 MODELLER OBJECTIVE FUNCTION: 115.7921 REMARK 6 MODELLER BEST TEMPLATE % SEQ ID: 40.000 REMARK 6 SEQUENCE: model REMARK 6 ALIGNMENT: alignment.pir REMARK 6 DOPE score: -1619.60144 REMARK 6 GA341 score: 0.78054 REMARK 6 Normalized DOPE score: -0.00994 REMARK 6 TEMPLATE: 1llmC01 101:C - 125:C MODELS 1: - 25: AT 40.0% ATOM 1 N GLU 398 -3.051 34.868 65.250 1.00 52.55 N ATOM 2 CA GLU 398 -3.264 34.518 63.832 1.00 52.55 C ATOM 3 CB GLU 398 -4.721 34.773 63.414 1.00 52.55 C ATOM 4 CG GLU 398 -5.723 33.742 63.937 1.00 52.55 C ATOM 5 CD GLU 398 -7.065 34.100 63.313 1.00 52.55 C ATOM 6 OE1 GLU 398 -7.139 35.177 62.662 1.00 52.55 O ATOM 7 OE2 GLU 398 -8.025 33.303 63.464 1.00 52.55 O ATOM 8 C GLU 398 -2.399 35.333 62.937 1.00 52.55 C ATOM 9 O GLU 398 -1.290 34.926 62.596 1.00 52.55 O ATOM 10 N LYS 399 -2.907 36.514 62.536 1.00124.83 N ATOM 11 CA LYS 399 -2.175 37.343 61.630 1.00124.83 C ATOM 12 CB LYS 399 -3.078 38.014 60.580 1.00124.83 C ATOM 13 CG LYS 399 -3.953 37.040 59.786 1.00124.83 C ATOM 14 CD LYS 399 -5.097 36.422 60.595 1.00124.83 C ATOM 15 CE LYS 399 -6.105 35.662 59.729 1.00124.83 C ATOM 16 NZ LYS 399 -5.436 34.545 59.022 1.00124.83 N ATOM 17 C LYS 399 -1.572 38.462 62.418 1.00124.83 C ATOM 18 O LYS 399 -2.210 39.485 62.645 1.00124.83 O ATOM 19 N PRO 400 -0.356 38.288 62.843 1.00 79.02 N ATOM 20 CA PRO 400 0.368 39.261 63.612 1.00 79.02 C ATOM 21 CD PRO 400 0.457 37.141 62.479 1.00 79.02 C ATOM 22 CB PRO 400 1.642 38.543 64.061 1.00 79.02 C ATOM 23 CG PRO 400 1.879 37.502 62.952 1.00 79.02 C ATOM 24 C PRO 400 0.700 40.479 62.810 1.00 79.02 C ATOM 25 O PRO 400 1.009 41.511 63.404 1.00 79.02 O ATOM 26 N PHE 401 0.678 40.384 61.467 1.00 60.76 N ATOM 27 CA PHE 401 1.148 41.499 60.697 1.00 60.76 C ATOM 28 CB PHE 401 2.087 41.073 59.557 1.00 60.76 C ATOM 29 CG PHE 401 3.266 40.450 60.213 1.00 60.76 C ATOM 30 CD1 PHE 401 3.231 39.130 60.604 1.00 60.76 C ATOM 31 CD2 PHE 401 4.397 41.191 60.451 1.00 60.76 C ATOM 32 CE1 PHE 401 4.319 38.552 61.217 1.00 60.76 C ATOM 33 CE2 PHE 401 5.486 40.616 61.061 1.00 60.76 C ATOM 34 CZ PHE 401 5.449 39.298 61.443 1.00 60.76 C ATOM 35 C PHE 401 -0.006 42.207 60.080 1.00 60.76 C ATOM 36 O PHE 401 -0.740 41.641 59.272 1.00 60.76 O ATOM 37 N THR 402 -0.174 43.495 60.429 1.00102.33 N ATOM 38 CA THR 402 -1.276 44.207 59.875 1.00102.33 C ATOM 39 CB THR 402 -2.209 44.800 60.884 0.50102.33 C ATOM 40 OG1 THR 402 -3.387 45.239 60.225 1.00102.33 O ATOM 41 CG2 THR 402 -1.518 45.991 61.574 1.00102.33 C ATOM 42 C THR 402 -0.751 45.345 59.080 1.00102.33 C ATOM 43 O THR 402 0.279 45.937 59.401 1.00102.33 O ATOM 44 N CYS 403 -1.470 45.659 57.993 1.00 47.56 N ATOM 45 CA CYS 403 -1.136 46.764 57.155 1.00 47.56 C ATOM 46 CB CYS 403 -1.721 46.647 55.741 1.00 47.56 C ATOM 47 SG CYS 403 -1.288 48.062 54.692 1.00 47.56 S ATOM 48 C CYS 403 -1.761 47.952 57.802 1.00 47.56 C ATOM 49 O CYS 403 -2.953 47.946 58.113 1.00 47.56 O ATOM 50 N ILE 404 -0.945 48.998 58.037 1.00 94.77 N ATOM 51 CA ILE 404 -1.389 50.184 58.703 1.00 94.77 C ATOM 52 CB ILE 404 -0.283 51.175 58.910 1.00 94.77 C ATOM 53 CG1 ILE 404 0.772 50.630 59.882 1.00 94.77 C ATOM 54 CG2 ILE 404 -0.923 52.500 59.357 1.00 94.77 C ATOM 55 CD1 ILE 404 0.215 50.365 61.281 1.00 94.77 C ATOM 56 C ILE 404 -2.428 50.893 57.899 1.00 94.77 C ATOM 57 O ILE 404 -3.427 51.353 58.450 1.00 94.77 O ATOM 58 N GLN 405 -2.209 51.051 56.582 1.00106.09 N ATOM 59 CA GLN 405 -3.158 51.830 55.845 1.00106.09 C ATOM 60 CB GLN 405 -2.681 52.083 54.405 1.00106.09 C ATOM 61 CG GLN 405 -1.391 52.907 54.305 1.00106.09 C ATOM 62 CD GLN 405 -0.235 52.067 54.839 1.00106.09 C ATOM 63 OE1 GLN 405 0.549 52.529 55.667 1.00106.09 O ATOM 64 NE2 GLN 405 -0.129 50.795 54.369 1.00106.09 N ATOM 65 C GLN 405 -4.511 51.173 55.756 1.00106.09 C ATOM 66 O GLN 405 -5.496 51.692 56.276 1.00106.09 O ATOM 67 N CYS 406 -4.582 49.992 55.106 1.00 73.51 N ATOM 68 CA CYS 406 -5.818 49.291 54.873 1.00 73.51 C ATOM 69 CB CYS 406 -5.767 48.314 53.688 1.00 73.51 C ATOM 70 SG CYS 406 -4.510 47.027 53.883 1.00 73.51 S ATOM 71 C CYS 406 -6.292 48.552 56.073 1.00 73.51 C ATOM 72 O CYS 406 -7.490 48.330 56.247 1.00 73.51 O ATOM 73 N GLY 407 -5.363 48.153 56.952 1.00107.22 N ATOM 74 CA GLY 407 -5.774 47.265 57.982 1.00107.22 C ATOM 75 C GLY 407 -5.593 45.940 57.330 1.00107.22 C ATOM 76 O GLY 407 -4.758 45.791 56.445 1.00107.22 O ATOM 77 N LYS 408 -6.377 44.935 57.718 1.00185.66 N ATOM 78 CA LYS 408 -6.160 43.637 57.158 1.00185.66 C ATOM 79 CB LYS 408 -6.112 43.571 55.614 1.00185.66 C ATOM 80 CG LYS 408 -5.650 42.216 55.070 1.00185.66 C ATOM 81 CD LYS 408 -5.917 42.020 53.577 1.00185.66 C ATOM 82 CE LYS 408 -7.103 41.096 53.300 1.00185.66 C ATOM 83 NZ LYS 408 -6.819 39.741 53.825 1.00185.66 N ATOM 84 C LYS 408 -4.885 43.119 57.723 1.00185.66 C ATOM 85 O LYS 408 -3.848 43.782 57.699 1.00185.66 O ATOM 86 N SER 409 -4.952 41.893 58.268 1.00 54.10 N ATOM 87 CA SER 409 -3.804 41.309 58.890 1.00 54.10 C ATOM 88 CB SER 409 -4.036 40.902 60.352 1.00 54.10 C ATOM 89 OG SER 409 -4.241 42.065 61.141 1.00 54.10 O ATOM 90 C SER 409 -3.429 40.095 58.114 1.00 54.10 C ATOM 91 O SER 409 -4.250 39.517 57.403 1.00 54.10 O ATOM 92 N PHE 410 -2.147 39.696 58.223 1.00 60.94 N ATOM 93 CA PHE 410 -1.658 38.601 57.444 1.00 60.94 C ATOM 94 CB PHE 410 -0.683 39.058 56.345 1.00 60.94 C ATOM 95 CG PHE 410 -1.408 40.035 55.486 1.00 60.94 C ATOM 96 CD1 PHE 410 -1.445 41.372 55.819 1.00 60.94 C ATOM 97 CD2 PHE 410 -2.056 39.617 54.348 1.00 60.94 C ATOM 98 CE1 PHE 410 -2.121 42.271 55.027 1.00 60.94 C ATOM 99 CE2 PHE 410 -2.733 40.512 53.553 1.00 60.94 C ATOM 100 CZ PHE 410 -2.767 41.844 53.891 1.00 60.94 C ATOM 101 C PHE 410 -0.897 37.674 58.340 1.00 60.94 C ATOM 102 O PHE 410 -0.321 38.087 59.345 1.00 60.94 O ATOM 103 N SER 411 -0.900 36.374 57.984 1.00 37.39 N ATOM 104 CA SER 411 -0.223 35.351 58.725 1.00 37.39 C ATOM 105 CB SER 411 -0.606 33.932 58.269 1.00 37.39 C ATOM 106 OG SER 411 -0.232 33.738 56.913 1.00 37.39 O ATOM 107 C SER 411 1.257 35.499 58.561 1.00 37.39 C ATOM 108 O SER 411 2.008 35.115 59.457 1.00 37.39 O ATOM 109 N LYS 412 1.727 36.061 57.424 1.00 94.13 N ATOM 110 CA LYS 412 3.150 36.124 57.215 1.00 94.13 C ATOM 111 CB LYS 412 3.623 35.359 55.969 1.00 94.13 C ATOM 112 CG LYS 412 3.267 33.871 55.942 1.00 94.13 C ATOM 113 CD LYS 412 3.589 33.205 54.596 1.00 94.13 C ATOM 114 CE LYS 412 2.530 33.402 53.504 1.00 94.13 C ATOM 115 NZ LYS 412 1.418 32.442 53.684 1.00 94.13 N ATOM 116 C LYS 412 3.575 37.541 56.975 1.00 94.13 C ATOM 117 O LYS 412 2.884 38.317 56.317 1.00 94.13 O ATOM 118 N SER 413 4.765 37.896 57.504 1.00 31.53 N ATOM 119 CA SER 413 5.339 39.203 57.347 1.00 31.53 C ATOM 120 CB SER 413 6.593 39.401 58.216 1.00 31.53 C ATOM 121 OG SER 413 7.621 38.508 57.810 1.00 31.53 O ATOM 122 C SER 413 5.742 39.402 55.915 1.00 31.53 C ATOM 123 O SER 413 5.664 40.510 55.385 1.00 31.53 O ATOM 124 N SER 414 6.192 38.326 55.245 1.00 68.39 N ATOM 125 CA SER 414 6.635 38.449 53.887 1.00 68.39 C ATOM 126 CB SER 414 7.113 37.103 53.310 1.00 68.39 C ATOM 127 OG SER 414 8.200 36.602 54.073 1.00 68.39 O ATOM 128 C SER 414 5.473 38.897 53.062 1.00 68.39 C ATOM 129 O SER 414 5.612 39.777 52.214 1.00 68.39 O ATOM 130 N SER 415 4.290 38.294 53.304 1.00 69.76 N ATOM 131 CA SER 415 3.106 38.598 52.553 1.00 69.76 C ATOM 132 CB SER 415 1.936 37.638 52.832 1.00 69.76 C ATOM 133 OG SER 415 1.488 37.754 54.177 1.00 69.76 O ATOM 134 C SER 415 2.661 39.985 52.889 1.00 69.76 C ATOM 135 O SER 415 2.004 40.650 52.090 1.00 69.76 O ATOM 136 N LEU 416 2.994 40.454 54.102 1.00 48.09 N ATOM 137 CA LEU 416 2.645 41.782 54.507 1.00 48.09 C ATOM 138 CB LEU 416 3.150 42.087 55.924 0.50 48.09 C ATOM 139 CG LEU 416 2.916 43.543 56.354 0.50 48.09 C ATOM 140 CD1 LEU 416 1.414 43.855 56.458 0.50 48.09 C ATOM 141 CD2 LEU 416 3.706 43.883 57.628 0.50 48.09 C ATOM 142 C LEU 416 3.344 42.741 53.596 1.00 48.09 C ATOM 143 O LEU 416 2.743 43.697 53.107 1.00 48.09 O ATOM 144 N TYR 417 4.636 42.476 53.325 1.00138.05 N ATOM 145 CA TYR 417 5.454 43.373 52.559 1.00138.05 C ATOM 146 CB TYR 417 6.911 42.889 52.415 1.00138.05 C ATOM 147 CG TYR 417 7.641 43.908 51.605 1.00138.05 C ATOM 148 CD1 TYR 417 8.138 45.039 52.213 1.00138.05 C ATOM 149 CD2 TYR 417 7.831 43.738 50.253 1.00138.05 C ATOM 150 CE1 TYR 417 8.811 45.987 51.480 1.00138.05 C ATOM 151 CE2 TYR 417 8.504 44.683 49.514 1.00138.05 C ATOM 152 CZ TYR 417 8.994 45.810 50.129 1.00138.05 C ATOM 153 OH TYR 417 9.685 46.784 49.380 1.00138.05 O ATOM 154 C TYR 417 4.905 43.511 51.175 1.00138.05 C ATOM 155 O TYR 417 4.778 44.624 50.668 1.00138.05 O ATOM 156 N ARG 418 4.553 42.376 50.541 1.00108.98 N ATOM 157 CA ARG 418 4.076 42.355 49.185 1.00108.98 C ATOM 158 CB ARG 418 3.787 40.924 48.708 1.00108.98 C ATOM 159 CG ARG 418 3.557 40.808 47.200 1.00108.98 C ATOM 160 CD ARG 418 4.841 41.014 46.395 1.00108.98 C ATOM 161 NE ARG 418 4.577 40.586 44.993 1.00108.98 N ATOM 162 CZ ARG 418 5.624 40.255 44.182 1.00108.98 C ATOM 163 NH1 ARG 418 6.905 40.333 44.649 1.00108.98 N ATOM 164 NH2 ARG 418 5.378 39.838 42.906 1.00108.98 N ATOM 165 C ARG 418 2.791 43.119 49.113 1.00108.98 C ATOM 166 O ARG 418 2.553 43.896 48.189 1.00108.98 O ATOM 167 N HIS 419 1.937 42.923 50.128 1.00 56.89 N ATOM 168 CA HIS 419 0.644 43.536 50.209 1.00 56.89 C ATOM 169 ND1 HIS 419 -2.612 43.196 51.000 1.00 56.89 N ATOM 170 CG HIS 419 -1.483 43.666 51.630 1.00 56.89 C ATOM 171 CB HIS 419 -0.107 43.094 51.480 1.00 56.89 C ATOM 172 NE2 HIS 419 -3.257 44.910 52.257 1.00 56.89 N ATOM 173 CD2 HIS 419 -1.899 44.716 52.395 1.00 56.89 C ATOM 174 CE1 HIS 419 -3.645 43.974 51.410 1.00 56.89 C ATOM 175 C HIS 419 0.816 45.021 50.274 1.00 56.89 C ATOM 176 O HIS 419 0.056 45.774 49.671 1.00 56.89 O ATOM 177 N MET 420 1.866 45.467 50.984 1.00122.29 N ATOM 178 CA MET 420 2.143 46.850 51.254 1.00122.29 C ATOM 179 CB MET 420 3.466 47.008 52.032 1.00122.29 C ATOM 180 CG MET 420 3.840 48.452 52.363 1.00122.29 C ATOM 181 SD MET 420 5.487 48.667 53.104 1.00122.29 S ATOM 182 CE MET 420 5.077 47.832 54.664 1.00122.29 C ATOM 183 C MET 420 2.299 47.600 49.966 1.00122.29 C ATOM 184 O MET 420 1.830 48.729 49.830 1.00122.29 O ATOM 185 N LYS 421 2.961 46.985 48.978 1.00 96.13 N ATOM 186 CA LYS 421 3.249 47.659 47.749 1.00 96.13 C ATOM 187 CB LYS 421 4.162 46.850 46.810 1.00 96.13 C ATOM 188 CG LYS 421 5.613 46.845 47.302 1.00 96.13 C ATOM 189 CD LYS 421 6.180 48.261 47.492 1.00 96.13 C ATOM 190 CE LYS 421 7.541 48.323 48.194 1.00 96.13 C ATOM 191 NZ LYS 421 7.900 49.734 48.469 1.00 96.13 N ATOM 192 C LYS 421 2.001 48.025 47.012 1.00 96.13 C ATOM 193 O LYS 421 1.982 49.048 46.330 1.00 96.13 O ATOM 194 N ILE 422 0.936 47.201 47.098 1.00 74.62 N ATOM 195 CA ILE 422 -0.255 47.492 46.349 1.00 74.62 C ATOM 196 CB ILE 422 -1.420 46.589 46.643 1.00 74.62 C ATOM 197 CG1 ILE 422 -1.920 46.786 48.083 1.00 74.62 C ATOM 198 CG2 ILE 422 -1.002 45.145 46.302 1.00 74.62 C ATOM 199 CD1 ILE 422 -3.307 46.200 48.326 1.00 74.62 C ATOM 200 C ILE 422 -0.727 48.903 46.675 1.00 74.62 C ATOM 201 O ILE 422 -1.608 49.407 45.930 1.00 74.62 O ATOM 202 OXT ILE 422 -0.228 49.490 47.671 1.00 74.62 O