EXPDTA THEORETICAL MODEL, MODELLER 9.19 2017/10/25 12:18:10 REMARK 6 MODELLER OBJECTIVE FUNCTION: 110.7274 REMARK 6 MODELLER BEST TEMPLATE % SEQ ID: 55.556 REMARK 6 SEQUENCE: model REMARK 6 ALIGNMENT: alignment.pir REMARK 6 DOPE score: -1893.05737 REMARK 6 GA341 score: 0.99743 REMARK 6 Normalized DOPE score: -1.15206 REMARK 6 TEMPLATE: 2i13A02 75:A - 101:A MODELS 1: - 27: AT 55.6% ATOM 1 N GLU 259 -8.146 23.482 40.975 1.00 61.71 N ATOM 2 CA GLU 259 -9.020 24.478 41.634 1.00 61.71 C ATOM 3 CB GLU 259 -10.147 24.924 40.690 1.00 61.71 C ATOM 4 CG GLU 259 -9.698 25.663 39.429 1.00 61.71 C ATOM 5 CD GLU 259 -10.969 26.018 38.664 1.00 61.71 C ATOM 6 OE1 GLU 259 -12.055 26.038 39.304 1.00 61.71 O ATOM 7 OE2 GLU 259 -10.872 26.282 37.435 1.00 61.71 O ATOM 8 C GLU 259 -9.686 23.872 42.826 1.00 61.71 C ATOM 9 O GLU 259 -9.431 22.722 43.181 1.00 61.71 O ATOM 10 N LYS 260 -10.558 24.658 43.488 1.00112.88 N ATOM 11 CA LYS 260 -11.290 24.144 44.608 1.00112.88 C ATOM 12 CB LYS 260 -11.192 25.015 45.877 1.00112.88 C ATOM 13 CG LYS 260 -9.794 25.140 46.489 1.00112.88 C ATOM 14 CD LYS 260 -8.843 26.036 45.694 1.00112.88 C ATOM 15 CE LYS 260 -7.509 26.285 46.402 1.00112.88 C ATOM 16 NZ LYS 260 -7.727 27.076 47.635 1.00112.88 N ATOM 17 C LYS 260 -12.736 24.177 44.220 1.00112.88 C ATOM 18 O LYS 260 -13.391 25.210 44.330 1.00112.88 O ATOM 19 N PRO 261 -13.250 23.073 43.757 1.00110.99 N ATOM 20 CA PRO 261 -14.633 23.050 43.366 1.00110.99 C ATOM 21 CD PRO 261 -12.444 22.186 42.932 1.00110.99 C ATOM 22 CB PRO 261 -14.797 21.818 42.479 1.00110.99 C ATOM 23 CG PRO 261 -13.401 21.615 41.871 1.00110.99 C ATOM 24 C PRO 261 -15.637 23.106 44.474 1.00110.99 C ATOM 25 O PRO 261 -16.761 23.526 44.207 1.00110.99 O ATOM 26 N PHE 262 -15.300 22.696 45.712 1.00 59.55 N ATOM 27 CA PHE 262 -16.358 22.656 46.684 1.00 59.55 C ATOM 28 CB PHE 262 -16.422 21.336 47.467 1.00 59.55 C ATOM 29 CG PHE 262 -16.826 20.296 46.478 1.00 59.55 C ATOM 30 CD1 PHE 262 -18.156 20.084 46.194 1.00 59.55 C ATOM 31 CD2 PHE 262 -15.875 19.545 45.825 1.00 59.55 C ATOM 32 CE1 PHE 262 -18.528 19.128 45.279 1.00 59.55 C ATOM 33 CE2 PHE 262 -16.244 18.587 44.909 1.00 59.55 C ATOM 34 CZ PHE 262 -17.574 18.377 44.637 1.00 59.55 C ATOM 35 C PHE 262 -16.233 23.784 47.657 1.00 59.55 C ATOM 36 O PHE 262 -15.206 23.957 48.311 1.00 59.55 O ATOM 37 N LYS 263 -17.316 24.580 47.791 1.00120.37 N ATOM 38 CA LYS 263 -17.262 25.710 48.670 1.00120.37 C ATOM 39 CB LYS 263 -17.656 27.040 47.998 1.00120.37 C ATOM 40 CG LYS 263 -19.147 27.160 47.678 1.00120.37 C ATOM 41 CD LYS 263 -19.573 28.552 47.203 1.00120.37 C ATOM 42 CE LYS 263 -19.258 29.676 48.191 1.00120.37 C ATOM 43 NZ LYS 263 -17.833 30.060 48.076 1.00120.37 N ATOM 44 C LYS 263 -18.193 25.484 49.819 1.00120.37 C ATOM 45 O LYS 263 -19.267 24.900 49.666 1.00120.37 O ATOM 46 N CYS 264 -17.764 25.927 51.020 1.00 47.75 N ATOM 47 CA CYS 264 -18.550 25.801 52.216 1.00 47.75 C ATOM 48 CB CYS 264 -17.720 25.979 53.501 1.00 47.75 C ATOM 49 SG CYS 264 -18.693 25.815 55.030 1.00 47.75 S ATOM 50 C CYS 264 -19.605 26.863 52.192 1.00 47.75 C ATOM 51 O CYS 264 -19.322 28.040 51.980 1.00 47.75 O ATOM 52 N THR 265 -20.865 26.461 52.438 1.00 37.66 N ATOM 53 CA THR 265 -21.957 27.385 52.388 1.00 37.66 C ATOM 54 CB THR 265 -23.286 26.717 52.588 1.00 37.66 C ATOM 55 OG1 THR 265 -23.521 25.759 51.565 1.00 37.66 O ATOM 56 CG2 THR 265 -24.382 27.791 52.568 1.00 37.66 C ATOM 57 C THR 265 -21.804 28.419 53.456 1.00 37.66 C ATOM 58 O THR 265 -22.081 29.596 53.224 1.00 37.66 O ATOM 59 N GLN 266 -21.400 28.008 54.674 1.00154.27 N ATOM 60 CA GLN 266 -21.349 28.973 55.734 1.00154.27 C ATOM 61 CB GLN 266 -21.149 28.334 57.124 1.00154.27 C ATOM 62 CG GLN 266 -22.392 27.660 57.713 1.00154.27 C ATOM 63 CD GLN 266 -22.533 26.260 57.137 1.00154.27 C ATOM 64 OE1 GLN 266 -23.516 25.569 57.401 1.00154.27 O ATOM 65 NE2 GLN 266 -21.525 25.828 56.334 1.00154.27 N ATOM 66 C GLN 266 -20.273 30.016 55.564 1.00154.27 C ATOM 67 O GLN 266 -20.576 31.208 55.524 1.00154.27 O ATOM 68 N CYS 267 -18.992 29.590 55.502 1.00 73.00 N ATOM 69 CA CYS 267 -17.845 30.466 55.413 1.00 73.00 C ATOM 70 CB CYS 267 -16.574 29.813 55.982 1.00 73.00 C ATOM 71 SG CYS 267 -16.137 28.268 55.136 1.00 73.00 S ATOM 72 C CYS 267 -17.548 30.967 54.028 1.00 73.00 C ATOM 73 O CYS 267 -17.168 32.124 53.850 1.00 73.00 O ATOM 74 N GLY 268 -17.701 30.112 52.999 1.00 28.06 N ATOM 75 CA GLY 268 -17.348 30.521 51.669 1.00 28.06 C ATOM 76 C GLY 268 -15.978 29.994 51.336 1.00 28.06 C ATOM 77 O GLY 268 -15.453 30.266 50.257 1.00 28.06 O ATOM 78 N LYS 269 -15.357 29.225 52.257 1.00 88.80 N ATOM 79 CA LYS 269 -14.047 28.676 52.023 1.00 88.80 C ATOM 80 CB LYS 269 -13.411 28.065 53.283 1.00 88.80 C ATOM 81 CG LYS 269 -11.930 27.718 53.124 1.00 88.80 C ATOM 82 CD LYS 269 -11.245 27.372 54.447 1.00 88.80 C ATOM 83 CE LYS 269 -11.236 28.523 55.457 1.00 88.80 C ATOM 84 NZ LYS 269 -10.771 28.043 56.778 1.00 88.80 N ATOM 85 C LYS 269 -14.168 27.573 51.013 1.00 88.80 C ATOM 86 O LYS 269 -15.133 26.809 51.025 1.00 88.80 O ATOM 87 N SER 270 -13.169 27.444 50.111 1.00 54.79 N ATOM 88 CA SER 270 -13.268 26.435 49.089 1.00 54.79 C ATOM 89 CB SER 270 -13.115 26.988 47.662 1.00 54.79 C ATOM 90 OG SER 270 -14.201 27.848 47.350 1.00 54.79 O ATOM 91 C SER 270 -12.206 25.394 49.294 1.00 54.79 C ATOM 92 O SER 270 -11.134 25.682 49.823 1.00 54.79 O ATOM 93 N PHE 271 -12.494 24.137 48.877 1.00153.29 N ATOM 94 CA PHE 271 -11.568 23.050 49.068 1.00153.29 C ATOM 95 CB PHE 271 -12.008 22.068 50.173 1.00153.29 C ATOM 96 CG PHE 271 -11.943 22.755 51.500 1.00153.29 C ATOM 97 CD1 PHE 271 -13.011 23.491 51.962 1.00153.29 C ATOM 98 CD2 PHE 271 -10.811 22.670 52.284 1.00153.29 C ATOM 99 CE1 PHE 271 -12.959 24.124 53.183 1.00153.29 C ATOM 100 CE2 PHE 271 -10.750 23.300 53.508 1.00153.29 C ATOM 101 CZ PHE 271 -11.827 24.028 53.957 1.00153.29 C ATOM 102 C PHE 271 -11.455 22.248 47.802 1.00153.29 C ATOM 103 O PHE 271 -12.364 22.205 46.973 1.00153.29 O ATOM 104 N ASN 272 -10.282 21.611 47.618 1.00 99.35 N ATOM 105 CA ASN 272 -10.003 20.779 46.481 1.00 99.35 C ATOM 106 CB ASN 272 -8.522 20.390 46.354 1.00 99.35 C ATOM 107 CG ASN 272 -8.305 19.820 44.955 1.00 99.35 C ATOM 108 OD1 ASN 272 -9.227 19.767 44.141 1.00 99.35 O ATOM 109 ND2 ASN 272 -7.051 19.381 44.669 1.00 99.35 N ATOM 110 C ASN 272 -10.783 19.506 46.588 1.00 99.35 C ATOM 111 O ASN 272 -11.184 18.936 45.573 1.00 99.35 O ATOM 112 N ARG 273 -11.012 19.014 47.824 1.00124.66 N ATOM 113 CA ARG 273 -11.637 17.728 47.947 1.00124.66 C ATOM 114 CB ARG 273 -10.711 16.706 48.631 1.00124.66 C ATOM 115 CG ARG 273 -11.193 15.260 48.531 1.00124.66 C ATOM 116 CD ARG 273 -10.096 14.237 48.836 1.00124.66 C ATOM 117 NE ARG 273 -9.937 14.142 50.314 1.00124.66 N ATOM 118 CZ ARG 273 -8.916 13.397 50.833 1.00124.66 C ATOM 119 NH1 ARG 273 -8.022 12.787 50.000 1.00124.66 N ATOM 120 NH2 ARG 273 -8.773 13.270 52.185 1.00124.66 N ATOM 121 C ARG 273 -12.912 17.822 48.735 1.00124.66 C ATOM 122 O ARG 273 -13.016 18.568 49.707 1.00124.66 O ATOM 123 N SER 274 -13.927 17.036 48.311 1.00 67.12 N ATOM 124 CA SER 274 -15.228 17.021 48.920 1.00 67.12 C ATOM 125 CB SER 274 -16.237 16.137 48.168 1.00 67.12 C ATOM 126 OG SER 274 -17.493 16.157 48.827 1.00 67.12 O ATOM 127 C SER 274 -15.145 16.508 50.319 1.00 67.12 C ATOM 128 O SER 274 -15.794 17.048 51.213 1.00 67.12 O ATOM 129 N SER 275 -14.335 15.460 50.555 1.00 57.90 N ATOM 130 CA SER 275 -14.278 14.888 51.869 1.00 57.90 C ATOM 131 CB SER 275 -13.402 13.623 51.950 1.00 57.90 C ATOM 132 OG SER 275 -13.398 13.117 53.276 1.00 57.90 O ATOM 133 C SER 275 -13.712 15.903 52.809 1.00 57.90 C ATOM 134 O SER 275 -14.113 15.968 53.971 1.00 57.90 O ATOM 135 N ASP 276 -12.756 16.719 52.322 1.00 32.83 N ATOM 136 CA ASP 276 -12.115 17.713 53.139 1.00 32.83 C ATOM 137 CB ASP 276 -10.978 18.445 52.407 1.00 32.83 C ATOM 138 CG ASP 276 -9.837 17.465 52.171 1.00 32.83 C ATOM 139 OD1 ASP 276 -9.770 16.443 52.903 1.00 32.83 O ATOM 140 OD2 ASP 276 -9.019 17.722 51.248 1.00 32.83 O ATOM 141 C ASP 276 -13.112 18.759 53.539 1.00 32.83 C ATOM 142 O ASP 276 -13.097 19.236 54.672 1.00 32.83 O ATOM 143 N LEU 277 -13.997 19.158 52.608 1.00110.62 N ATOM 144 CA LEU 277 -14.955 20.188 52.899 1.00110.62 C ATOM 145 CB LEU 277 -15.819 20.549 51.674 1.00110.62 C ATOM 146 CG LEU 277 -16.641 21.859 51.768 1.00110.62 C ATOM 147 CD1 LEU 277 -17.623 21.952 50.596 1.00110.62 C ATOM 148 CD2 LEU 277 -17.315 22.083 53.131 1.00110.62 C ATOM 149 C LEU 277 -15.869 19.656 53.965 1.00110.62 C ATOM 150 O LEU 277 -16.203 20.350 54.926 1.00110.62 O ATOM 151 N TYR 278 -16.254 18.371 53.846 1.00 85.89 N ATOM 152 CA TYR 278 -17.204 17.788 54.752 1.00 85.89 C ATOM 153 CB TYR 278 -17.496 16.310 54.440 1.00 85.89 C ATOM 154 CG TYR 278 -18.607 15.888 55.337 1.00 85.89 C ATOM 155 CD1 TYR 278 -18.349 15.444 56.612 1.00 85.89 C ATOM 156 CD2 TYR 278 -19.911 15.945 54.899 1.00 85.89 C ATOM 157 CE1 TYR 278 -19.379 15.060 57.438 1.00 85.89 C ATOM 158 CE2 TYR 278 -20.946 15.563 55.719 1.00 85.89 C ATOM 159 CZ TYR 278 -20.678 15.120 56.992 1.00 85.89 C ATOM 160 OH TYR 278 -21.739 14.727 57.838 1.00 85.89 O ATOM 161 C TYR 278 -16.654 17.882 56.139 1.00 85.89 C ATOM 162 O TYR 278 -17.377 18.199 57.082 1.00 85.89 O ATOM 163 N LYS 279 -15.348 17.605 56.293 1.00 91.31 N ATOM 164 CA LYS 279 -14.702 17.655 57.571 1.00 91.31 C ATOM 165 CB LYS 279 -13.238 17.210 57.472 1.00 91.31 C ATOM 166 CG LYS 279 -12.587 16.936 58.821 1.00 91.31 C ATOM 167 CD LYS 279 -11.302 16.122 58.684 1.00 91.31 C ATOM 168 CE LYS 279 -11.543 14.726 58.103 1.00 91.31 C ATOM 169 NZ LYS 279 -10.259 13.994 58.010 1.00 91.31 N ATOM 170 C LYS 279 -14.729 19.066 58.083 1.00 91.31 C ATOM 171 O LYS 279 -14.952 19.300 59.270 1.00 91.31 O ATOM 172 N HIS 280 -14.499 20.047 57.189 1.00 58.38 N ATOM 173 CA HIS 280 -14.469 21.428 57.577 1.00 58.38 C ATOM 174 ND1 HIS 280 -13.162 24.348 57.737 1.00 58.38 N ATOM 175 CG HIS 280 -14.087 23.807 56.873 1.00 58.38 C ATOM 176 CB HIS 280 -14.091 22.379 56.428 1.00 58.38 C ATOM 177 NE2 HIS 280 -14.574 25.984 57.212 1.00 58.38 N ATOM 178 CD2 HIS 280 -14.943 24.820 56.562 1.00 58.38 C ATOM 179 CE1 HIS 280 -13.501 25.651 57.906 1.00 58.38 C ATOM 180 C HIS 280 -15.821 21.827 58.072 1.00 58.38 C ATOM 181 O HIS 280 -15.940 22.592 59.025 1.00 58.38 O ATOM 182 N MET 281 -16.881 21.287 57.447 1.00 70.58 N ATOM 183 CA MET 281 -18.225 21.630 57.816 1.00 70.58 C ATOM 184 CB MET 281 -19.302 20.863 57.029 1.00 70.58 C ATOM 185 CG MET 281 -19.430 21.259 55.557 1.00 70.58 C ATOM 186 SD MET 281 -20.671 20.287 54.649 1.00 70.58 S ATOM 187 CE MET 281 -20.529 21.220 53.099 1.00 70.58 C ATOM 188 C MET 281 -18.423 21.250 59.244 1.00 70.58 C ATOM 189 O MET 281 -19.146 21.930 59.972 1.00 70.58 O ATOM 190 N ARG 282 -17.767 20.161 59.686 1.00 99.82 N ATOM 191 CA ARG 282 -17.955 19.665 61.018 1.00 99.82 C ATOM 192 CB ARG 282 -16.946 18.566 61.415 1.00 99.82 C ATOM 193 CG ARG 282 -16.984 17.255 60.624 1.00 99.82 C ATOM 194 CD ARG 282 -15.915 16.272 61.116 1.00 99.82 C ATOM 195 NE ARG 282 -16.072 14.981 60.389 1.00 99.82 N ATOM 196 CZ ARG 282 -15.171 13.972 60.588 1.00 99.82 C ATOM 197 NH1 ARG 282 -14.107 14.149 61.426 1.00 99.82 N ATOM 198 NH2 ARG 282 -15.345 12.776 59.955 1.00 99.82 N ATOM 199 C ARG 282 -17.670 20.780 61.973 1.00 99.82 C ATOM 200 O ARG 282 -18.393 20.964 62.950 1.00 99.82 O ATOM 201 N ILE 283 -16.623 21.577 61.700 1.00 77.84 N ATOM 202 CA ILE 283 -16.234 22.571 62.656 1.00 77.84 C ATOM 203 CB ILE 283 -15.007 23.348 62.259 1.00 77.84 C ATOM 204 CG1 ILE 283 -14.442 24.082 63.485 1.00 77.84 C ATOM 205 CG2 ILE 283 -15.355 24.292 61.095 1.00 77.84 C ATOM 206 CD1 ILE 283 -13.043 24.646 63.253 1.00 77.84 C ATOM 207 C ILE 283 -17.361 23.534 62.876 1.00 77.84 C ATOM 208 O ILE 283 -17.633 23.921 64.012 1.00 77.84 O ATOM 209 N HIS 284 -18.062 23.942 61.802 1.00 38.29 N ATOM 210 CA HIS 284 -19.120 24.893 61.966 1.00 38.29 C ATOM 211 ND1 HIS 284 -18.762 27.169 59.493 1.00 38.29 N ATOM 212 CG HIS 284 -18.996 25.816 59.597 1.00 38.29 C ATOM 213 CB HIS 284 -19.862 25.190 60.651 1.00 38.29 C ATOM 214 NE2 HIS 284 -17.613 26.200 57.855 1.00 38.29 N ATOM 215 CD2 HIS 284 -18.288 25.240 58.587 1.00 38.29 C ATOM 216 CE1 HIS 284 -17.928 27.343 58.436 1.00 38.29 C ATOM 217 C HIS 284 -20.117 24.292 62.903 1.00 38.29 C ATOM 218 O HIS 284 -20.525 24.923 63.877 1.00 38.29 O ATOM 219 N THR 285 -20.517 23.032 62.650 1.00 14.05 N ATOM 220 CA THR 285 -21.474 22.413 63.516 1.00 14.05 C ATOM 221 CB THR 285 -22.115 21.192 62.921 1.00 14.05 C ATOM 222 OG1 THR 285 -21.130 20.209 62.645 1.00 14.05 O ATOM 223 CG2 THR 285 -22.850 21.590 61.629 1.00 14.05 C ATOM 224 C THR 285 -20.749 21.982 64.786 1.00 14.05 C ATOM 225 O THR 285 -20.916 20.797 65.180 1.00 14.05 O ATOM 226 OXT THR 285 -20.037 22.830 65.387 1.00 14.05 O