EXPDTA THEORETICAL MODEL, MODELLER 9.19 2017/10/25 12:06:54 REMARK 6 MODELLER OBJECTIVE FUNCTION: 122.8805 REMARK 6 MODELLER BEST TEMPLATE % SEQ ID: 39.286 REMARK 6 SEQUENCE: model REMARK 6 ALIGNMENT: alignment.pir REMARK 6 DOPE score: -1625.60620 REMARK 6 GA341 score: 0.77971 REMARK 6 Normalized DOPE score: -1.10695 REMARK 6 TEMPLATE: 2em6A01 11:A - 38:A MODELS 1: - 28: AT 39.3% ATOM 1 N ASP 388 -2.736 -10.636 -9.939 1.00 77.34 N ATOM 2 CA ASP 388 -1.281 -10.884 -9.993 1.00 77.34 C ATOM 3 CB ASP 388 -0.648 -10.205 -11.223 1.00 77.34 C ATOM 4 CG ASP 388 -0.839 -8.705 -11.114 1.00 77.34 C ATOM 5 OD1 ASP 388 -2.008 -8.251 -10.980 1.00 77.34 O ATOM 6 OD2 ASP 388 0.192 -7.988 -11.182 1.00 77.34 O ATOM 7 C ASP 388 -0.617 -10.416 -8.743 1.00 77.34 C ATOM 8 O ASP 388 -1.277 -9.921 -7.829 1.00 77.34 O ATOM 9 N ARG 389 0.719 -10.571 -8.672 1.00167.77 N ATOM 10 CA ARG 389 1.403 -10.257 -7.455 1.00167.77 C ATOM 11 CB ARG 389 2.525 -11.258 -7.129 1.00167.77 C ATOM 12 CG ARG 389 2.053 -12.704 -6.956 1.00167.77 C ATOM 13 CD ARG 389 3.204 -13.718 -6.931 1.00167.77 C ATOM 14 NE ARG 389 3.843 -13.670 -5.584 1.00167.77 N ATOM 15 CZ ARG 389 5.047 -14.280 -5.375 1.00167.77 C ATOM 16 NH1 ARG 389 5.704 -14.873 -6.414 1.00167.77 N ATOM 17 NH2 ARG 389 5.605 -14.286 -4.129 1.00167.77 N ATOM 18 C ARG 389 2.063 -8.922 -7.575 1.00167.77 C ATOM 19 O ARG 389 3.008 -8.744 -8.343 1.00167.77 O ATOM 20 N PHE 390 1.596 -7.933 -6.792 1.00 59.92 N ATOM 21 CA PHE 390 2.280 -6.676 -6.831 1.00 59.92 C ATOM 22 CB PHE 390 1.412 -5.460 -6.468 1.00 59.92 C ATOM 23 CG PHE 390 0.425 -5.276 -7.567 1.00 59.92 C ATOM 24 CD1 PHE 390 0.825 -4.739 -8.768 1.00 59.92 C ATOM 25 CD2 PHE 390 -0.893 -5.633 -7.396 1.00 59.92 C ATOM 26 CE1 PHE 390 -0.074 -4.558 -9.792 1.00 59.92 C ATOM 27 CE2 PHE 390 -1.797 -5.453 -8.417 1.00 59.92 C ATOM 28 CZ PHE 390 -1.388 -4.920 -9.617 1.00 59.92 C ATOM 29 C PHE 390 3.375 -6.778 -5.825 1.00 59.92 C ATOM 30 O PHE 390 3.127 -6.978 -4.638 1.00 59.92 O ATOM 31 N ARG 391 4.630 -6.631 -6.286 1.00 94.47 N ATOM 32 CA ARG 391 5.735 -6.799 -5.391 1.00 94.47 C ATOM 33 CB ARG 391 6.756 -7.841 -5.889 1.00 94.47 C ATOM 34 CG ARG 391 7.933 -8.068 -4.937 1.00 94.47 C ATOM 35 CD ARG 391 8.619 -9.432 -5.103 1.00 94.47 C ATOM 36 NE ARG 391 8.674 -9.770 -6.553 1.00 94.47 N ATOM 37 CZ ARG 391 7.791 -10.671 -7.073 1.00 94.47 C ATOM 38 NH1 ARG 391 6.845 -11.242 -6.272 1.00 94.47 N ATOM 39 NH2 ARG 391 7.873 -11.023 -8.389 1.00 94.47 N ATOM 40 C ARG 391 6.421 -5.480 -5.228 1.00 94.47 C ATOM 41 O ARG 391 6.292 -4.589 -6.065 1.00 94.47 O ATOM 42 N CYS 392 7.151 -5.315 -4.108 1.00 44.42 N ATOM 43 CA CYS 392 7.818 -4.074 -3.831 1.00 44.42 C ATOM 44 CB CYS 392 7.685 -3.635 -2.359 1.00 44.42 C ATOM 45 SG CYS 392 8.520 -2.062 -1.996 1.00 44.42 S ATOM 46 C CYS 392 9.276 -4.245 -4.130 1.00 44.42 C ATOM 47 O CYS 392 9.879 -5.265 -3.807 1.00 44.42 O ATOM 48 N SER 393 9.884 -3.240 -4.785 1.00 89.88 N ATOM 49 CA SER 393 11.265 -3.334 -5.156 1.00 89.88 C ATOM 50 CB SER 393 11.681 -2.226 -6.140 1.00 89.88 C ATOM 51 OG SER 393 11.519 -0.951 -5.537 1.00 89.88 O ATOM 52 C SER 393 12.174 -3.266 -3.961 1.00 89.88 C ATOM 53 O SER 393 13.134 -4.030 -3.870 1.00 89.88 O ATOM 54 N GLU 394 11.921 -2.326 -3.026 1.00131.11 N ATOM 55 CA GLU 394 12.836 -2.125 -1.926 1.00131.11 C ATOM 56 CB GLU 394 12.549 -0.848 -1.114 1.00131.11 C ATOM 57 CG GLU 394 13.265 0.405 -1.624 1.00131.11 C ATOM 58 CD GLU 394 12.637 0.899 -2.918 1.00131.11 C ATOM 59 OE1 GLU 394 11.537 0.401 -3.278 1.00131.11 O ATOM 60 OE2 GLU 394 13.253 1.791 -3.562 1.00131.11 O ATOM 61 C GLU 394 12.927 -3.237 -0.924 1.00131.11 C ATOM 62 O GLU 394 14.001 -3.807 -0.732 1.00131.11 O ATOM 63 N CYS 395 11.810 -3.542 -0.232 1.00 63.23 N ATOM 64 CA CYS 395 11.785 -4.543 0.802 1.00 63.23 C ATOM 65 CB CYS 395 10.541 -4.431 1.699 1.00 63.23 C ATOM 66 SG CYS 395 8.996 -4.600 0.764 1.00 63.23 S ATOM 67 C CYS 395 11.809 -5.918 0.221 1.00 63.23 C ATOM 68 O CYS 395 12.526 -6.789 0.715 1.00 63.23 O ATOM 69 N GLY 396 11.055 -6.130 -0.881 1.00 46.20 N ATOM 70 CA GLY 396 10.937 -7.435 -1.464 1.00 46.20 C ATOM 71 C GLY 396 9.722 -8.139 -0.933 1.00 46.20 C ATOM 72 O GLY 396 9.789 -9.334 -0.646 1.00 46.20 O ATOM 73 N LYS 397 8.585 -7.419 -0.767 1.00147.20 N ATOM 74 CA LYS 397 7.386 -8.067 -0.310 1.00147.20 C ATOM 75 CB LYS 397 6.805 -7.519 1.010 1.00147.20 C ATOM 76 CG LYS 397 6.320 -6.074 1.017 1.00147.20 C ATOM 77 CD LYS 397 5.503 -5.765 2.275 1.00147.20 C ATOM 78 CE LYS 397 6.055 -6.405 3.549 1.00147.20 C ATOM 79 NZ LYS 397 5.164 -6.117 4.697 1.00147.20 N ATOM 80 C LYS 397 6.348 -8.025 -1.388 1.00147.20 C ATOM 81 O LYS 397 6.547 -7.400 -2.429 1.00147.20 O ATOM 82 N GLY 398 5.217 -8.737 -1.177 1.00 32.36 N ATOM 83 CA GLY 398 4.195 -8.784 -2.181 1.00 32.36 C ATOM 84 C GLY 398 2.875 -8.623 -1.503 1.00 32.36 C ATOM 85 O GLY 398 2.713 -8.985 -0.338 1.00 32.36 O ATOM 86 N PHE 399 1.886 -8.082 -2.247 1.00 69.68 N ATOM 87 CA PHE 399 0.593 -7.828 -1.685 1.00 69.68 C ATOM 88 CB PHE 399 0.285 -6.332 -1.546 1.00 69.68 C ATOM 89 CG PHE 399 1.334 -5.695 -0.706 1.00 69.68 C ATOM 90 CD1 PHE 399 2.515 -5.272 -1.270 1.00 69.68 C ATOM 91 CD2 PHE 399 1.131 -5.519 0.640 1.00 69.68 C ATOM 92 CE1 PHE 399 3.490 -4.678 -0.506 1.00 69.68 C ATOM 93 CE2 PHE 399 2.102 -4.926 1.411 1.00 69.68 C ATOM 94 CZ PHE 399 3.277 -4.502 0.839 1.00 69.68 C ATOM 95 C PHE 399 -0.431 -8.334 -2.649 1.00 69.68 C ATOM 96 O PHE 399 -0.143 -8.544 -3.826 1.00 69.68 O ATOM 97 N LYS 400 -1.648 -8.617 -2.135 1.00132.16 N ATOM 98 CA LYS 400 -2.735 -9.041 -2.971 1.00132.16 C ATOM 99 CB LYS 400 -3.929 -9.621 -2.194 1.00132.16 C ATOM 100 CG LYS 400 -5.084 -9.966 -3.134 1.00132.16 C ATOM 101 CD LYS 400 -6.145 -10.889 -2.539 1.00132.16 C ATOM 102 CE LYS 400 -5.863 -12.365 -2.816 1.00132.16 C ATOM 103 NZ LYS 400 -5.713 -12.573 -4.273 1.00132.16 N ATOM 104 C LYS 400 -3.279 -7.909 -3.786 1.00132.16 C ATOM 105 O LYS 400 -3.435 -8.028 -5.001 1.00132.16 O ATOM 106 N SER 401 -3.559 -6.762 -3.134 1.00 34.36 N ATOM 107 CA SER 401 -4.183 -5.665 -3.819 1.00 34.36 C ATOM 108 CB SER 401 -5.303 -4.993 -3.009 1.00 34.36 C ATOM 109 OG SER 401 -4.760 -4.403 -1.838 1.00 34.36 O ATOM 110 C SER 401 -3.148 -4.627 -4.090 1.00 34.36 C ATOM 111 O SER 401 -2.190 -4.475 -3.335 1.00 34.36 O ATOM 112 N LYS 402 -3.324 -3.886 -5.201 1.00 98.25 N ATOM 113 CA LYS 402 -2.369 -2.896 -5.602 1.00 98.25 C ATOM 114 CB LYS 402 -2.676 -2.291 -6.983 1.00 98.25 C ATOM 115 CG LYS 402 -4.073 -1.687 -7.099 1.00 98.25 C ATOM 116 CD LYS 402 -4.262 -0.885 -8.387 1.00 98.25 C ATOM 117 CE LYS 402 -3.495 0.438 -8.411 1.00 98.25 C ATOM 118 NZ LYS 402 -3.611 1.062 -9.748 1.00 98.25 N ATOM 119 C LYS 402 -2.309 -1.809 -4.576 1.00 98.25 C ATOM 120 O LYS 402 -1.234 -1.296 -4.274 1.00 98.25 O ATOM 121 N ARG 403 -3.462 -1.449 -3.989 1.00123.67 N ATOM 122 CA ARG 403 -3.515 -0.379 -3.037 1.00123.67 C ATOM 123 CB ARG 403 -4.933 -0.175 -2.505 1.00123.67 C ATOM 124 CG ARG 403 -5.029 0.776 -1.318 1.00123.67 C ATOM 125 CD ARG 403 -6.441 0.794 -0.741 1.00123.67 C ATOM 126 NE ARG 403 -6.416 1.570 0.527 1.00123.67 N ATOM 127 CZ ARG 403 -6.627 2.917 0.517 1.00123.67 C ATOM 128 NH1 ARG 403 -6.797 3.585 -0.662 1.00123.67 N ATOM 129 NH2 ARG 403 -6.684 3.596 1.699 1.00123.67 N ATOM 130 C ARG 403 -2.644 -0.692 -1.862 1.00123.67 C ATOM 131 O ARG 403 -1.908 0.173 -1.391 1.00123.67 O ATOM 132 N SER 404 -2.676 -1.946 -1.370 1.00 28.73 N ATOM 133 CA SER 404 -1.923 -2.275 -0.189 1.00 28.73 C ATOM 134 CB SER 404 -1.977 -3.769 0.186 1.00 28.73 C ATOM 135 OG SER 404 -3.277 -4.130 0.625 1.00 28.73 O ATOM 136 C SER 404 -0.484 -1.959 -0.427 1.00 28.73 C ATOM 137 O SER 404 0.192 -1.405 0.438 1.00 28.73 O ATOM 138 N LEU 405 0.014 -2.294 -1.628 1.00 49.38 N ATOM 139 CA LEU 405 1.389 -2.070 -1.959 1.00 49.38 C ATOM 140 CB LEU 405 1.710 -2.549 -3.379 1.00 49.38 C ATOM 141 CG LEU 405 3.154 -2.253 -3.812 1.00 49.38 C ATOM 142 CD1 LEU 405 4.163 -3.006 -2.934 1.00 49.38 C ATOM 143 CD2 LEU 405 3.345 -2.502 -5.316 1.00 49.38 C ATOM 144 C LEU 405 1.660 -0.600 -1.923 1.00 49.38 C ATOM 145 O LEU 405 2.669 -0.157 -1.374 1.00 49.38 O ATOM 146 N ASN 406 0.734 0.202 -2.478 1.00 68.21 N ATOM 147 CA ASN 406 0.980 1.610 -2.576 1.00 68.21 C ATOM 148 CB ASN 406 -0.200 2.393 -3.189 1.00 68.21 C ATOM 149 CG ASN 406 0.214 3.851 -3.382 1.00 68.21 C ATOM 150 OD1 ASN 406 1.338 4.243 -3.071 1.00 68.21 O ATOM 151 ND2 ASN 406 -0.729 4.688 -3.896 1.00 68.21 N ATOM 152 C ASN 406 1.203 2.160 -1.205 1.00 68.21 C ATOM 153 O ASN 406 2.131 2.936 -0.987 1.00 68.21 O ATOM 154 N THR 407 0.362 1.760 -0.236 1.00106.73 N ATOM 155 CA THR 407 0.469 2.287 1.094 1.00106.73 C ATOM 156 CB THR 407 -0.651 1.845 1.994 1.00106.73 C ATOM 157 OG1 THR 407 -0.637 0.436 2.165 1.00106.73 O ATOM 158 CG2 THR 407 -1.977 2.286 1.360 1.00106.73 C ATOM 159 C THR 407 1.773 1.870 1.708 1.00106.73 C ATOM 160 O THR 407 2.408 2.648 2.419 1.00106.73 O ATOM 161 N HIS 408 2.210 0.625 1.443 1.00 72.06 N ATOM 162 CA HIS 408 3.419 0.094 2.013 1.00 72.06 C ATOM 163 ND1 HIS 408 5.339 -2.222 3.297 1.00 72.06 N ATOM 164 CG HIS 408 5.050 -1.820 2.013 1.00 72.06 C ATOM 165 CB HIS 408 3.700 -1.348 1.564 1.00 72.06 C ATOM 166 NE2 HIS 408 7.230 -2.392 2.138 1.00 72.06 N ATOM 167 CD2 HIS 408 6.215 -1.930 1.318 1.00 72.06 C ATOM 168 CE1 HIS 408 6.655 -2.553 3.316 1.00 72.06 C ATOM 169 C HIS 408 4.609 0.894 1.591 1.00 72.06 C ATOM 170 O HIS 408 5.453 1.247 2.410 1.00 72.06 O ATOM 171 N MET 409 4.664 1.263 0.302 1.00126.98 N ATOM 172 CA MET 409 5.817 1.911 -0.245 1.00126.98 C ATOM 173 CB MET 409 5.634 2.391 -1.692 1.00126.98 C ATOM 174 CG MET 409 5.654 1.299 -2.755 1.00126.98 C ATOM 175 SD MET 409 5.398 1.947 -4.434 1.00126.98 S ATOM 176 CE MET 409 5.548 0.338 -5.259 1.00126.98 C ATOM 177 C MET 409 6.057 3.153 0.531 1.00126.98 C ATOM 178 O MET 409 7.201 3.586 0.670 1.00126.98 O ATOM 179 N LYS 410 4.981 3.738 1.074 1.00107.10 N ATOM 180 CA LYS 410 5.036 5.023 1.702 1.00107.10 C ATOM 181 CB LYS 410 3.749 5.338 2.476 1.00107.10 C ATOM 182 CG LYS 410 2.491 5.322 1.609 1.00107.10 C ATOM 183 CD LYS 410 2.514 6.359 0.493 1.00107.10 C ATOM 184 CE LYS 410 1.249 6.337 -0.363 1.00107.10 C ATOM 185 NZ LYS 410 1.358 7.359 -1.425 1.00107.10 N ATOM 186 C LYS 410 6.128 5.042 2.717 1.00107.10 C ATOM 187 O LYS 410 6.865 6.025 2.795 1.00107.10 O ATOM 188 N LEU 411 6.296 3.959 3.502 1.00116.11 N ATOM 189 CA LEU 411 7.296 4.070 4.519 1.00116.11 C ATOM 190 CB LEU 411 7.363 2.897 5.522 1.00116.11 C ATOM 191 CG LEU 411 8.226 1.690 5.115 1.00116.11 C ATOM 192 CD1 LEU 411 8.192 0.616 6.215 1.00116.11 C ATOM 193 CD2 LEU 411 7.844 1.128 3.741 1.00116.11 C ATOM 194 C LEU 411 8.638 4.254 3.881 1.00116.11 C ATOM 195 O LEU 411 9.445 5.059 4.340 1.00116.11 O ATOM 196 N HIS 412 8.914 3.539 2.783 1.00 56.66 N ATOM 197 CA HIS 412 10.200 3.664 2.177 1.00 56.66 C ATOM 198 ND1 HIS 412 11.508 0.694 2.273 1.00 56.66 N ATOM 199 CG HIS 412 10.458 1.235 1.564 1.00 56.66 C ATOM 200 CB HIS 412 10.433 2.644 1.054 1.00 56.66 C ATOM 201 NE2 HIS 412 9.977 -0.907 2.086 1.00 56.66 N ATOM 202 CD2 HIS 412 9.534 0.242 1.457 1.00 56.66 C ATOM 203 CE1 HIS 412 11.168 -0.588 2.560 1.00 56.66 C ATOM 204 C HIS 412 10.398 5.034 1.601 1.00 56.66 C ATOM 205 O HIS 412 11.431 5.655 1.848 1.00 56.66 O ATOM 206 N ASN 413 9.422 5.575 0.838 1.00106.03 N ATOM 207 CA ASN 413 9.707 6.829 0.186 1.00106.03 C ATOM 208 CB ASN 413 9.339 6.816 -1.314 1.00106.03 C ATOM 209 CG ASN 413 10.113 7.907 -2.044 1.00106.03 C ATOM 210 OD1 ASN 413 10.476 8.929 -1.466 1.00106.03 O ATOM 211 ND2 ASN 413 10.378 7.680 -3.360 1.00106.03 N ATOM 212 C ASN 413 8.942 7.933 0.850 1.00106.03 C ATOM 213 O ASN 413 7.713 7.977 0.801 1.00106.03 O ATOM 214 N GLY 414 9.681 8.843 1.519 1.00 32.25 N ATOM 215 CA GLY 414 9.107 9.964 2.205 1.00 32.25 C ATOM 216 C GLY 414 8.533 10.953 1.239 1.00 32.25 C ATOM 217 O GLY 414 7.416 11.431 1.429 1.00 32.25 O ATOM 218 N GLU 415 9.278 11.294 0.167 1.00 29.91 N ATOM 219 CA GLU 415 8.767 12.299 -0.721 1.00 29.91 C ATOM 220 CB GLU 415 9.776 13.412 -1.055 1.00 29.91 C ATOM 221 CG GLU 415 10.999 12.937 -1.836 1.00 29.91 C ATOM 222 CD GLU 415 11.702 14.177 -2.368 1.00 29.91 C ATOM 223 OE1 GLU 415 11.203 15.300 -2.085 1.00 29.91 O ATOM 224 OE2 GLU 415 12.737 14.020 -3.069 1.00 29.91 O ATOM 225 C GLU 415 8.373 11.631 -2.034 1.00 29.91 C ATOM 226 O GLU 415 7.941 12.360 -2.968 1.00 29.91 O ATOM 227 OXT GLU 415 8.493 10.380 -2.118 1.00 29.91 O