EXPDTA THEORETICAL MODEL, MODELLER 9.19 2017/10/25 12:01:34 REMARK 6 MODELLER OBJECTIVE FUNCTION: 104.0074 REMARK 6 MODELLER BEST TEMPLATE % SEQ ID: 55.172 REMARK 6 SEQUENCE: model REMARK 6 ALIGNMENT: alignment.pir REMARK 6 DOPE score: -1695.93494 REMARK 6 GA341 score: 1.00000 REMARK 6 Normalized DOPE score: -0.82743 REMARK 6 TEMPLATE: 2i13A02 75:A - 103:A MODELS 1: - 29: AT 55.2% ATOM 1 N GLU 287 -28.207 31.900 52.619 1.00 23.25 N ATOM 2 CA GLU 287 -27.779 32.523 53.892 1.00 23.25 C ATOM 3 CB GLU 287 -28.756 32.160 55.024 1.00 23.25 C ATOM 4 CG GLU 287 -28.405 32.799 56.370 1.00 23.25 C ATOM 5 CD GLU 287 -29.448 32.349 57.385 1.00 23.25 C ATOM 6 OE1 GLU 287 -30.350 31.560 56.996 1.00 23.25 O ATOM 7 OE2 GLU 287 -29.358 32.788 58.563 1.00 23.25 O ATOM 8 C GLU 287 -26.419 32.045 54.280 1.00 23.25 C ATOM 9 O GLU 287 -25.963 31.002 53.816 1.00 23.25 O ATOM 10 N LYS 288 -25.721 32.821 55.133 1.00143.51 N ATOM 11 CA LYS 288 -24.414 32.413 55.564 1.00143.51 C ATOM 12 CB LYS 288 -23.349 33.510 55.376 1.00143.51 C ATOM 13 CG LYS 288 -23.179 33.972 53.930 1.00143.51 C ATOM 14 CD LYS 288 -22.705 32.874 52.979 1.00143.51 C ATOM 15 CE LYS 288 -23.545 32.782 51.704 1.00143.51 C ATOM 16 NZ LYS 288 -23.432 34.029 50.912 1.00143.51 N ATOM 17 C LYS 288 -24.517 32.199 57.037 1.00143.51 C ATOM 18 O LYS 288 -24.376 33.127 57.830 1.00143.51 O ATOM 19 N PRO 289 -24.777 30.989 57.414 1.00114.71 N ATOM 20 CA PRO 289 -24.929 30.676 58.807 1.00114.71 C ATOM 21 CD PRO 289 -25.582 30.120 56.576 1.00114.71 C ATOM 22 CB PRO 289 -25.692 29.348 58.864 1.00114.71 C ATOM 23 CG PRO 289 -25.716 28.842 57.408 1.00114.71 C ATOM 24 C PRO 289 -23.684 30.695 59.641 1.00114.71 C ATOM 25 O PRO 289 -23.807 30.841 60.857 1.00114.71 O ATOM 26 N PHE 290 -22.479 30.549 59.057 1.00 60.12 N ATOM 27 CA PHE 290 -21.338 30.462 59.930 1.00 60.12 C ATOM 28 CB PHE 290 -20.411 29.288 59.586 1.00 60.12 C ATOM 29 CG PHE 290 -21.200 28.061 59.879 1.00 60.12 C ATOM 30 CD1 PHE 290 -21.189 27.498 61.133 1.00 60.12 C ATOM 31 CD2 PHE 290 -21.969 27.478 58.901 1.00 60.12 C ATOM 32 CE1 PHE 290 -21.924 26.367 61.398 1.00 60.12 C ATOM 33 CE2 PHE 290 -22.707 26.348 59.163 1.00 60.12 C ATOM 34 CZ PHE 290 -22.685 25.785 60.415 1.00 60.12 C ATOM 35 C PHE 290 -20.549 31.727 59.865 1.00 60.12 C ATOM 36 O PHE 290 -20.095 32.138 58.799 1.00 60.12 O ATOM 37 N ALA 291 -20.332 32.361 61.039 1.00 32.11 N ATOM 38 CA ALA 291 -19.653 33.623 61.046 1.00 32.11 C ATOM 39 CB ALA 291 -20.431 34.727 61.782 1.00 32.11 C ATOM 40 C ALA 291 -18.334 33.476 61.737 1.00 32.11 C ATOM 41 O ALA 291 -18.201 32.737 62.713 1.00 32.11 O ATOM 42 N CYS 292 -17.308 34.178 61.212 1.00 42.12 N ATOM 43 CA CYS 292 -15.986 34.162 61.774 1.00 42.12 C ATOM 44 CB CYS 292 -14.914 34.649 60.783 1.00 42.12 C ATOM 45 SG CYS 292 -13.231 34.646 61.477 1.00 42.12 S ATOM 46 C CYS 292 -15.961 35.086 62.950 1.00 42.12 C ATOM 47 O CYS 292 -16.411 36.227 62.870 1.00 42.12 O ATOM 48 N THR 293 -15.404 34.616 64.080 1.00109.56 N ATOM 49 CA THR 293 -15.363 35.406 65.275 1.00109.56 C ATOM 50 CB THR 293 -14.780 34.647 66.427 1.00109.56 C ATOM 51 OG1 THR 293 -13.429 34.313 66.155 1.00109.56 O ATOM 52 CG2 THR 293 -15.605 33.365 66.624 1.00109.56 C ATOM 53 C THR 293 -14.509 36.620 65.060 1.00109.56 C ATOM 54 O THR 293 -14.864 37.714 65.497 1.00109.56 O ATOM 55 N GLN 294 -13.337 36.456 64.412 1.00153.81 N ATOM 56 CA GLN 294 -12.470 37.595 64.302 1.00153.81 C ATOM 57 CB GLN 294 -11.064 37.246 63.779 1.00153.81 C ATOM 58 CG GLN 294 -10.092 36.733 64.847 1.00153.81 C ATOM 59 CD GLN 294 -10.395 35.282 65.193 1.00153.81 C ATOM 60 OE1 GLN 294 -10.680 34.958 66.344 1.00153.81 O ATOM 61 NE2 GLN 294 -10.308 34.378 64.179 1.00153.81 N ATOM 62 C GLN 294 -12.995 38.694 63.417 1.00153.81 C ATOM 63 O GLN 294 -13.193 39.814 63.886 1.00153.81 O ATOM 64 N CYS 295 -13.201 38.407 62.113 1.00 67.27 N ATOM 65 CA CYS 295 -13.626 39.393 61.147 1.00 67.27 C ATOM 66 CB CYS 295 -13.236 39.024 59.705 1.00 67.27 C ATOM 67 SG CYS 295 -13.897 37.417 59.187 1.00 67.27 S ATOM 68 C CYS 295 -15.096 39.663 61.181 1.00 67.27 C ATOM 69 O CYS 295 -15.533 40.802 61.021 1.00 67.27 O ATOM 70 N GLY 296 -15.911 38.613 61.385 1.00 29.12 N ATOM 71 CA GLY 296 -17.330 38.798 61.337 1.00 29.12 C ATOM 72 C GLY 296 -17.819 38.418 59.966 1.00 29.12 C ATOM 73 O GLY 296 -18.993 38.614 59.652 1.00 29.12 O ATOM 74 N LYS 297 -16.935 37.874 59.101 1.00 85.20 N ATOM 75 CA LYS 297 -17.351 37.485 57.780 1.00 85.20 C ATOM 76 CB LYS 297 -16.178 37.267 56.811 1.00 85.20 C ATOM 77 CG LYS 297 -16.623 37.181 55.352 1.00 85.20 C ATOM 78 CD LYS 297 -15.483 37.377 54.353 1.00 85.20 C ATOM 79 CE LYS 297 -15.951 37.437 52.898 1.00 85.20 C ATOM 80 NZ LYS 297 -16.766 38.655 52.690 1.00 85.20 N ATOM 81 C LYS 297 -18.133 36.208 57.883 1.00 85.20 C ATOM 82 O LYS 297 -17.832 35.350 58.713 1.00 85.20 O ATOM 83 N SER 298 -19.165 36.044 57.023 1.00 52.54 N ATOM 84 CA SER 298 -19.999 34.876 57.122 1.00 52.54 C ATOM 85 CB SER 298 -21.498 35.203 57.227 1.00 52.54 C ATOM 86 OG SER 298 -21.761 35.891 58.439 1.00 52.54 O ATOM 87 C SER 298 -19.803 33.999 55.921 1.00 52.54 C ATOM 88 O SER 298 -19.448 34.464 54.837 1.00 52.54 O ATOM 89 N PHE 299 -20.028 32.678 56.104 1.00144.53 N ATOM 90 CA PHE 299 -19.803 31.738 55.040 1.00144.53 C ATOM 91 CB PHE 299 -18.541 30.880 55.256 1.00144.53 C ATOM 92 CG PHE 299 -17.353 31.785 55.197 1.00144.53 C ATOM 93 CD1 PHE 299 -16.925 32.454 56.321 1.00144.53 C ATOM 94 CD2 PHE 299 -16.679 31.979 54.014 1.00144.53 C ATOM 95 CE1 PHE 299 -15.837 33.297 56.274 1.00144.53 C ATOM 96 CE2 PHE 299 -15.589 32.820 53.959 1.00144.53 C ATOM 97 CZ PHE 299 -15.166 33.479 55.089 1.00144.53 C ATOM 98 C PHE 299 -20.959 30.791 54.932 1.00144.53 C ATOM 99 O PHE 299 -21.675 30.525 55.897 1.00144.53 O ATOM 100 N SER 300 -21.177 30.279 53.706 1.00 36.27 N ATOM 101 CA SER 300 -22.223 29.344 53.414 1.00 36.27 C ATOM 102 CB SER 300 -22.400 29.126 51.900 1.00 36.27 C ATOM 103 OG SER 300 -21.220 28.566 51.342 1.00 36.27 O ATOM 104 C SER 300 -21.897 28.014 54.026 1.00 36.27 C ATOM 105 O SER 300 -22.800 27.278 54.425 1.00 36.27 O ATOM 106 N HIS 301 -20.595 27.665 54.125 1.00 41.13 N ATOM 107 CA HIS 301 -20.258 26.350 54.606 1.00 41.13 C ATOM 108 ND1 HIS 301 -21.355 24.142 52.389 1.00 41.13 N ATOM 109 CG HIS 301 -20.386 25.120 52.368 1.00 41.13 C ATOM 110 CB HIS 301 -19.541 25.483 53.555 1.00 41.13 C ATOM 111 NE2 HIS 301 -21.321 24.960 50.320 1.00 41.13 N ATOM 112 CD2 HIS 301 -20.379 25.611 51.098 1.00 41.13 C ATOM 113 CE1 HIS 301 -21.882 24.089 51.138 1.00 41.13 C ATOM 114 C HIS 301 -19.328 26.435 55.780 1.00 41.13 C ATOM 115 O HIS 301 -18.494 27.336 55.881 1.00 41.13 O ATOM 116 N SER 302 -19.458 25.461 56.706 1.00 26.01 N ATOM 117 CA SER 302 -18.653 25.387 57.894 1.00 26.01 C ATOM 118 CB SER 302 -19.103 24.268 58.845 1.00 26.01 C ATOM 119 OG SER 302 -20.431 24.509 59.285 1.00 26.01 O ATOM 120 C SER 302 -17.230 25.107 57.523 1.00 26.01 C ATOM 121 O SER 302 -16.310 25.666 58.118 1.00 26.01 O ATOM 122 N SER 303 -17.011 24.228 56.527 1.00 22.65 N ATOM 123 CA SER 303 -15.672 23.862 56.158 1.00 22.65 C ATOM 124 CB SER 303 -15.627 22.751 55.089 1.00 22.65 C ATOM 125 OG SER 303 -16.167 23.218 53.862 1.00 22.65 O ATOM 126 C SER 303 -14.973 25.061 55.603 1.00 22.65 C ATOM 127 O SER 303 -13.778 25.251 55.828 1.00 22.65 O ATOM 128 N SER 304 -15.710 25.905 54.857 1.00 62.23 N ATOM 129 CA SER 304 -15.121 27.063 54.246 1.00 62.23 C ATOM 130 CB SER 304 -16.099 27.811 53.320 1.00 62.23 C ATOM 131 OG SER 304 -15.467 28.944 52.745 1.00 62.23 O ATOM 132 C SER 304 -14.686 28.015 55.319 1.00 62.23 C ATOM 133 O SER 304 -13.638 28.649 55.215 1.00 62.23 O ATOM 134 N LEU 305 -15.493 28.129 56.391 1.00103.01 N ATOM 135 CA LEU 305 -15.195 29.024 57.472 1.00103.01 C ATOM 136 CB LEU 305 -16.322 29.039 58.528 1.00103.01 C ATOM 137 CG LEU 305 -16.085 29.973 59.736 1.00103.01 C ATOM 138 CD1 LEU 305 -15.016 29.442 60.704 1.00103.01 C ATOM 139 CD2 LEU 305 -15.792 31.402 59.263 1.00103.01 C ATOM 140 C LEU 305 -13.919 28.565 58.116 1.00103.01 C ATOM 141 O LEU 305 -13.055 29.370 58.461 1.00103.01 O ATOM 142 N ASN 306 -13.763 27.238 58.270 1.00 76.62 N ATOM 143 CA ASN 306 -12.608 26.705 58.932 1.00 76.62 C ATOM 144 CB ASN 306 -12.612 25.168 59.017 1.00 76.62 C ATOM 145 CG ASN 306 -11.477 24.732 59.938 1.00 76.62 C ATOM 146 OD1 ASN 306 -11.669 24.576 61.144 1.00 76.62 O ATOM 147 ND2 ASN 306 -10.266 24.526 59.352 1.00 76.62 N ATOM 148 C ASN 306 -11.377 27.110 58.184 1.00 76.62 C ATOM 149 O ASN 306 -10.373 27.482 58.793 1.00 76.62 O ATOM 150 N ARG 307 -11.405 27.044 56.841 1.00 70.11 N ATOM 151 CA ARG 307 -10.231 27.396 56.095 1.00 70.11 C ATOM 152 CB ARG 307 -10.340 27.172 54.581 1.00 70.11 C ATOM 153 CG ARG 307 -8.962 27.289 53.926 1.00 70.11 C ATOM 154 CD ARG 307 -8.979 27.565 52.423 1.00 70.11 C ATOM 155 NE ARG 307 -7.555 27.619 51.977 1.00 70.11 N ATOM 156 CZ ARG 307 -6.831 28.763 52.148 1.00 70.11 C ATOM 157 NH1 ARG 307 -7.413 29.847 52.740 1.00 70.11 N ATOM 158 NH2 ARG 307 -5.528 28.825 51.740 1.00 70.11 N ATOM 159 C ARG 307 -9.947 28.855 56.287 1.00 70.11 C ATOM 160 O ARG 307 -8.793 29.267 56.397 1.00 70.11 O ATOM 161 N HIS 308 -11.013 29.676 56.331 1.00 54.18 N ATOM 162 CA HIS 308 -10.886 31.099 56.471 1.00 54.18 C ATOM 163 ND1 HIS 308 -11.729 34.231 55.826 1.00 54.18 N ATOM 164 CG HIS 308 -12.121 33.285 56.745 1.00 54.18 C ATOM 165 CB HIS 308 -12.245 31.816 56.469 1.00 54.18 C ATOM 166 NE2 HIS 308 -12.119 35.316 57.728 1.00 54.18 N ATOM 167 CD2 HIS 308 -12.354 33.965 57.903 1.00 54.18 C ATOM 168 CE1 HIS 308 -11.745 35.428 56.467 1.00 54.18 C ATOM 169 C HIS 308 -10.222 31.420 57.770 1.00 54.18 C ATOM 170 O HIS 308 -9.377 32.311 57.839 1.00 54.18 O ATOM 171 N MET 309 -10.567 30.675 58.832 1.00 82.24 N ATOM 172 CA MET 309 -10.030 30.934 60.136 1.00 82.24 C ATOM 173 CB MET 309 -10.517 29.937 61.193 1.00 82.24 C ATOM 174 CG MET 309 -9.933 30.222 62.577 1.00 82.24 C ATOM 175 SD MET 309 -10.177 28.887 63.785 1.00 82.24 S ATOM 176 CE MET 309 -8.930 27.770 63.076 1.00 82.24 C ATOM 177 C MET 309 -8.544 30.787 60.073 1.00 82.24 C ATOM 178 O MET 309 -7.813 31.510 60.748 1.00 82.24 O ATOM 179 N MET 310 -8.059 29.849 59.246 1.00 68.41 N ATOM 180 CA MET 310 -6.655 29.573 59.174 1.00 68.41 C ATOM 181 CB MET 310 -6.314 28.473 58.151 1.00 68.41 C ATOM 182 CG MET 310 -6.911 27.109 58.505 1.00 68.41 C ATOM 183 SD MET 310 -6.232 26.352 60.013 1.00 68.41 S ATOM 184 CE MET 310 -4.686 25.782 59.248 1.00 68.41 C ATOM 185 C MET 310 -5.931 30.811 58.752 1.00 68.41 C ATOM 186 O MET 310 -4.822 31.068 59.218 1.00 68.41 O ATOM 187 N ARG 311 -6.535 31.616 57.862 1.00 35.29 N ATOM 188 CA ARG 311 -5.865 32.787 57.375 1.00 35.29 C ATOM 189 CB ARG 311 -6.700 33.574 56.352 1.00 35.29 C ATOM 190 CG ARG 311 -6.803 32.886 54.990 1.00 35.29 C ATOM 191 CD ARG 311 -7.625 33.663 53.958 1.00 35.29 C ATOM 192 NE ARG 311 -7.488 32.946 52.659 1.00 35.29 N ATOM 193 CZ ARG 311 -6.483 33.287 51.799 1.00 35.29 C ATOM 194 NH1 ARG 311 -5.617 34.291 52.124 1.00 35.29 N ATOM 195 NH2 ARG 311 -6.351 32.625 50.611 1.00 35.29 N ATOM 196 C ARG 311 -5.543 33.721 58.504 1.00 35.29 C ATOM 197 O ARG 311 -4.434 34.249 58.569 1.00 35.29 O ATOM 198 N HIS 312 -6.491 33.959 59.433 1.00 44.89 N ATOM 199 CA HIS 312 -6.198 34.888 60.490 1.00 44.89 C ATOM 200 ND1 HIS 312 -8.441 37.088 60.122 1.00 44.89 N ATOM 201 CG HIS 312 -8.536 35.868 60.754 1.00 44.89 C ATOM 202 CB HIS 312 -7.390 35.166 61.425 1.00 44.89 C ATOM 203 NE2 HIS 312 -10.568 36.460 59.970 1.00 44.89 N ATOM 204 CD2 HIS 312 -9.843 35.500 60.650 1.00 44.89 C ATOM 205 CE1 HIS 312 -9.684 37.395 59.672 1.00 44.89 C ATOM 206 C HIS 312 -5.081 34.352 61.333 1.00 44.89 C ATOM 207 O HIS 312 -4.130 35.068 61.644 1.00 44.89 O ATOM 208 N THR 313 -5.155 33.058 61.696 1.00 30.13 N ATOM 209 CA THR 313 -4.179 32.442 62.551 1.00 30.13 C ATOM 210 CB THR 313 -4.494 31.005 62.844 1.00 30.13 C ATOM 211 OG1 THR 313 -4.457 30.237 61.650 1.00 30.13 O ATOM 212 CG2 THR 313 -5.893 30.936 63.479 1.00 30.13 C ATOM 213 C THR 313 -2.852 32.478 61.868 1.00 30.13 C ATOM 214 O THR 313 -1.823 32.712 62.501 1.00 30.13 O ATOM 215 N GLY 314 -2.841 32.262 60.542 1.00 15.02 N ATOM 216 CA GLY 314 -1.598 32.241 59.834 1.00 15.02 C ATOM 217 C GLY 314 -1.214 30.810 59.681 1.00 15.02 C ATOM 218 O GLY 314 -0.166 30.487 59.122 1.00 15.02 O ATOM 219 N GLU 315 -2.073 29.910 60.193 1.00 23.83 N ATOM 220 CA GLU 315 -1.844 28.504 60.069 1.00 23.83 C ATOM 221 CB GLU 315 -2.791 27.670 60.950 1.00 23.83 C ATOM 222 CG GLU 315 -2.610 27.912 62.451 1.00 23.83 C ATOM 223 CD GLU 315 -3.672 27.115 63.199 1.00 23.83 C ATOM 224 OE1 GLU 315 -4.279 26.204 62.572 1.00 23.83 O ATOM 225 OE2 GLU 315 -3.890 27.400 64.406 1.00 23.83 O ATOM 226 C GLU 315 -2.148 28.157 58.614 1.00 23.83 C ATOM 227 O GLU 315 -2.345 26.949 58.322 1.00 23.83 O ATOM 228 OXT GLU 315 -2.193 29.098 57.774 1.00 23.83 O