EXPDTA THEORETICAL MODEL, MODELLER 9.19 2017/10/25 12:06:55 REMARK 6 MODELLER OBJECTIVE FUNCTION: 91.4871 REMARK 6 MODELLER BEST TEMPLATE % SEQ ID: 52.000 REMARK 6 SEQUENCE: model REMARK 6 ALIGNMENT: alignment.pir REMARK 6 DOPE score: -1636.14844 REMARK 6 GA341 score: 0.98284 REMARK 6 Normalized DOPE score: -0.23165 REMARK 6 TEMPLATE: 2i13A02 75:A - 99:A MODELS 1: - 25: AT 52.0% ATOM 1 N GLU 287 2.136 41.117 42.710 1.00 53.29 N ATOM 2 CA GLU 287 0.731 41.065 42.245 1.00 53.29 C ATOM 3 CB GLU 287 0.630 40.239 40.953 1.00 53.29 C ATOM 4 CG GLU 287 1.057 38.784 41.147 1.00 53.29 C ATOM 5 CD GLU 287 0.921 38.072 39.811 1.00 53.29 C ATOM 6 OE1 GLU 287 1.488 38.595 38.814 1.00 53.29 O ATOM 7 OE2 GLU 287 0.246 37.009 39.762 1.00 53.29 O ATOM 8 C GLU 287 -0.123 40.424 43.288 1.00 53.29 C ATOM 9 O GLU 287 0.350 39.601 44.071 1.00 53.29 O ATOM 10 N LYS 288 -1.411 40.818 43.348 1.00 99.43 N ATOM 11 CA LYS 288 -2.297 40.251 44.321 1.00 99.43 C ATOM 12 CB LYS 288 -2.686 41.275 45.398 1.00 99.43 C ATOM 13 CG LYS 288 -1.494 41.736 46.242 1.00 99.43 C ATOM 14 CD LYS 288 -1.723 43.064 46.965 1.00 99.43 C ATOM 15 CE LYS 288 -1.147 44.266 46.211 1.00 99.43 C ATOM 16 NZ LYS 288 -1.760 44.370 44.868 1.00 99.43 N ATOM 17 C LYS 288 -3.545 39.865 43.591 1.00 99.43 C ATOM 18 O LYS 288 -4.434 40.684 43.366 1.00 99.43 O ATOM 19 N PRO 289 -3.613 38.622 43.215 1.00115.55 N ATOM 20 CA PRO 289 -4.727 38.118 42.460 1.00115.55 C ATOM 21 CD PRO 289 -2.410 37.838 43.002 1.00115.55 C ATOM 22 CB PRO 289 -4.255 36.798 41.840 1.00115.55 C ATOM 23 CG PRO 289 -2.940 36.464 42.569 1.00115.55 C ATOM 24 C PRO 289 -6.036 38.000 43.178 1.00115.55 C ATOM 25 O PRO 289 -7.068 38.039 42.509 1.00115.55 O ATOM 26 N PHE 290 -6.053 37.851 44.516 1.00 58.13 N ATOM 27 CA PHE 290 -7.332 37.622 45.127 1.00 58.13 C ATOM 28 CB PHE 290 -7.341 36.442 46.110 1.00 58.13 C ATOM 29 CG PHE 290 -7.230 35.222 45.265 1.00 58.13 C ATOM 30 CD1 PHE 290 -8.353 34.693 44.669 1.00 58.13 C ATOM 31 CD2 PHE 290 -6.014 34.613 45.062 1.00 58.13 C ATOM 32 CE1 PHE 290 -8.263 33.569 43.884 1.00 58.13 C ATOM 33 CE2 PHE 290 -5.920 33.488 44.278 1.00 58.13 C ATOM 34 CZ PHE 290 -7.045 32.963 43.687 1.00 58.13 C ATOM 35 C PHE 290 -7.799 38.847 45.838 1.00 58.13 C ATOM 36 O PHE 290 -7.102 39.403 46.685 1.00 58.13 O ATOM 37 N THR 291 -9.033 39.283 45.511 1.00103.44 N ATOM 38 CA THR 291 -9.557 40.478 46.099 1.00103.44 C ATOM 39 CB THR 291 -10.004 41.486 45.082 1.00103.44 C ATOM 40 OG1 THR 291 -11.061 40.951 44.298 1.00103.44 O ATOM 41 CG2 THR 291 -8.808 41.846 44.185 1.00103.44 C ATOM 42 C THR 291 -10.753 40.134 46.928 1.00103.44 C ATOM 43 O THR 291 -11.550 39.265 46.572 1.00103.44 O ATOM 44 N CYS 292 -10.882 40.815 48.085 1.00 42.19 N ATOM 45 CA CYS 292 -11.989 40.617 48.975 1.00 42.19 C ATOM 46 CB CYS 292 -11.731 41.142 50.401 1.00 42.19 C ATOM 47 SG CYS 292 -13.139 40.882 51.522 1.00 42.19 S ATOM 48 C CYS 292 -13.166 41.338 48.412 1.00 42.19 C ATOM 49 O CYS 292 -13.076 42.501 48.025 1.00 42.19 O ATOM 50 N THR 293 -14.319 40.650 48.358 1.00107.89 N ATOM 51 CA THR 293 -15.492 41.237 47.786 1.00107.89 C ATOM 52 CB THR 293 -16.633 40.271 47.698 1.00107.89 C ATOM 53 OG1 THR 293 -17.047 39.879 48.999 1.00107.89 O ATOM 54 CG2 THR 293 -16.160 39.037 46.912 1.00107.89 C ATOM 55 C THR 293 -15.946 42.390 48.623 1.00107.89 C ATOM 56 O THR 293 -16.356 43.420 48.092 1.00107.89 O ATOM 57 N GLN 294 -15.933 42.234 49.962 1.00107.53 N ATOM 58 CA GLN 294 -16.478 43.293 50.761 1.00107.53 C ATOM 59 CB GLN 294 -16.694 42.868 52.226 1.00107.53 C ATOM 60 CG GLN 294 -17.598 43.807 53.038 1.00107.53 C ATOM 61 CD GLN 294 -16.818 45.035 53.491 1.00107.53 C ATOM 62 OE1 GLN 294 -15.589 45.063 53.458 1.00107.53 O ATOM 63 NE2 GLN 294 -17.561 46.080 53.945 1.00107.53 N ATOM 64 C GLN 294 -15.623 44.532 50.766 1.00107.53 C ATOM 65 O GLN 294 -16.076 45.602 50.358 1.00107.53 O ATOM 66 N CYS 295 -14.362 44.406 51.237 1.00 65.60 N ATOM 67 CA CYS 295 -13.448 45.512 51.405 1.00 65.60 C ATOM 68 CB CYS 295 -12.324 45.204 52.410 1.00 65.60 C ATOM 69 SG CYS 295 -11.262 43.825 51.889 1.00 65.60 S ATOM 70 C CYS 295 -12.816 45.965 50.123 1.00 65.60 C ATOM 71 O CYS 295 -12.646 47.162 49.899 1.00 65.60 O ATOM 72 N GLY 296 -12.440 45.016 49.242 1.00 29.10 N ATOM 73 CA GLY 296 -11.773 45.378 48.024 1.00 29.10 C ATOM 74 C GLY 296 -10.288 45.216 48.196 1.00 29.10 C ATOM 75 O GLY 296 -9.525 45.482 47.269 1.00 29.10 O ATOM 76 N LYS 297 -9.829 44.774 49.386 1.00 79.98 N ATOM 77 CA LYS 297 -8.418 44.596 49.607 1.00 79.98 C ATOM 78 CB LYS 297 -8.047 44.405 51.091 1.00 79.98 C ATOM 79 CG LYS 297 -6.544 44.267 51.340 1.00 79.98 C ATOM 80 CD LYS 297 -6.139 44.471 52.803 1.00 79.98 C ATOM 81 CE LYS 297 -4.667 44.156 53.087 1.00 79.98 C ATOM 82 NZ LYS 297 -3.796 45.029 52.269 1.00 79.98 N ATOM 83 C LYS 297 -7.963 43.388 48.843 1.00 79.98 C ATOM 84 O LYS 297 -8.698 42.411 48.711 1.00 79.98 O ATOM 85 N SER 298 -6.721 43.428 48.316 1.00 94.20 N ATOM 86 CA SER 298 -6.229 42.338 47.518 1.00 94.20 C ATOM 87 CB SER 298 -5.737 42.786 46.133 1.00 94.20 C ATOM 88 OG SER 298 -4.737 43.782 46.277 1.00 94.20 O ATOM 89 C SER 298 -5.101 41.662 48.233 1.00 94.20 C ATOM 90 O SER 298 -4.385 42.284 49.017 1.00 94.20 O ATOM 91 N PHE 299 -4.925 40.345 47.977 1.00135.92 N ATOM 92 CA PHE 299 -3.928 39.573 48.671 1.00135.92 C ATOM 93 CB PHE 299 -4.533 38.564 49.661 1.00135.92 C ATOM 94 CG PHE 299 -5.218 39.313 50.750 1.00135.92 C ATOM 95 CD1 PHE 299 -6.535 39.685 50.612 1.00135.92 C ATOM 96 CD2 PHE 299 -4.545 39.646 51.903 1.00135.92 C ATOM 97 CE1 PHE 299 -7.176 40.377 51.612 1.00135.92 C ATOM 98 CE2 PHE 299 -5.181 40.337 52.907 1.00135.92 C ATOM 99 CZ PHE 299 -6.498 40.703 52.763 1.00135.92 C ATOM 100 C PHE 299 -3.145 38.752 47.694 1.00135.92 C ATOM 101 O PHE 299 -3.631 38.377 46.627 1.00135.92 O ATOM 102 N SER 300 -1.879 38.469 48.058 1.00 34.64 N ATOM 103 CA SER 300 -0.991 37.670 47.265 1.00 34.64 C ATOM 104 CB SER 300 0.463 37.724 47.768 1.00 34.64 C ATOM 105 OG SER 300 0.553 37.159 49.069 1.00 34.64 O ATOM 106 C SER 300 -1.426 36.237 47.313 1.00 34.64 C ATOM 107 O SER 300 -1.249 35.503 46.341 1.00 34.64 O ATOM 108 N GLN 301 -2.011 35.792 48.446 1.00 37.16 N ATOM 109 CA GLN 301 -2.338 34.394 48.553 1.00 37.16 C ATOM 110 CB GLN 301 -1.532 33.659 49.636 1.00 37.16 C ATOM 111 CG GLN 301 -0.030 33.587 49.355 1.00 37.16 C ATOM 112 CD GLN 301 0.621 32.839 50.510 1.00 37.16 C ATOM 113 OE1 GLN 301 -0.046 32.444 51.464 1.00 37.16 O ATOM 114 NE2 GLN 301 1.963 32.637 50.423 1.00 37.16 N ATOM 115 C GLN 301 -3.781 34.220 48.903 1.00 37.16 C ATOM 116 O GLN 301 -4.381 35.032 49.607 1.00 37.16 O ATOM 117 N SER 302 -4.365 33.108 48.411 1.00 64.47 N ATOM 118 CA SER 302 -5.744 32.781 48.638 1.00 64.47 C ATOM 119 CB SER 302 -6.191 31.532 47.860 1.00 64.47 C ATOM 120 OG SER 302 -7.558 31.255 48.124 1.00 64.47 O ATOM 121 C SER 302 -5.955 32.512 50.098 1.00 64.47 C ATOM 122 O SER 302 -6.975 32.899 50.662 1.00 64.47 O ATOM 123 N SER 303 -4.983 31.851 50.755 1.00 26.82 N ATOM 124 CA SER 303 -5.135 31.499 52.137 1.00 26.82 C ATOM 125 CB SER 303 -3.928 30.719 52.682 1.00 26.82 C ATOM 126 OG SER 303 -2.765 31.532 52.636 1.00 26.82 O ATOM 127 C SER 303 -5.273 32.743 52.955 1.00 26.82 C ATOM 128 O SER 303 -6.085 32.798 53.878 1.00 26.82 O ATOM 129 N ASN 304 -4.479 33.779 52.631 1.00 30.45 N ATOM 130 CA ASN 304 -4.509 35.000 53.383 1.00 30.45 C ATOM 131 CB ASN 304 -3.429 35.997 52.932 1.00 30.45 C ATOM 132 CG ASN 304 -2.069 35.427 53.316 1.00 30.45 C ATOM 133 OD1 ASN 304 -1.956 34.599 54.219 1.00 30.45 O ATOM 134 ND2 ASN 304 -1.003 35.890 52.612 1.00 30.45 N ATOM 135 C ASN 304 -5.851 35.645 53.212 1.00 30.45 C ATOM 136 O ASN 304 -6.407 36.198 54.158 1.00 30.45 O ATOM 137 N PHE 305 -6.410 35.584 51.989 1.00 47.16 N ATOM 138 CA PHE 305 -7.687 36.176 51.715 1.00 47.16 C ATOM 139 CB PHE 305 -8.111 35.978 50.249 1.00 47.16 C ATOM 140 CG PHE 305 -9.553 36.321 50.134 1.00 47.16 C ATOM 141 CD1 PHE 305 -9.959 37.615 49.925 1.00 47.16 C ATOM 142 CD2 PHE 305 -10.508 35.337 50.247 1.00 47.16 C ATOM 143 CE1 PHE 305 -11.299 37.899 49.825 1.00 47.16 C ATOM 144 CE2 PHE 305 -11.849 35.623 50.148 1.00 47.16 C ATOM 145 CZ PHE 305 -12.251 36.916 49.932 1.00 47.16 C ATOM 146 C PHE 305 -8.720 35.532 52.582 1.00 47.16 C ATOM 147 O PHE 305 -9.537 36.217 53.196 1.00 47.16 O ATOM 148 N ASN 306 -8.700 34.191 52.677 1.00 95.49 N ATOM 149 CA ASN 306 -9.729 33.533 53.429 1.00 95.49 C ATOM 150 CB ASN 306 -9.688 31.987 53.376 1.00 95.49 C ATOM 151 CG ASN 306 -8.459 31.413 54.068 1.00 95.49 C ATOM 152 OD1 ASN 306 -8.269 31.563 55.273 1.00 95.49 O ATOM 153 ND2 ASN 306 -7.622 30.683 53.288 1.00 95.49 N ATOM 154 C ASN 306 -9.675 33.979 54.856 1.00 95.49 C ATOM 155 O ASN 306 -10.713 34.174 55.487 1.00 95.49 O ATOM 156 N LEU 307 -8.463 34.164 55.410 1.00 29.56 N ATOM 157 CA LEU 307 -8.345 34.563 56.783 1.00 29.56 C ATOM 158 CB LEU 307 -6.883 34.650 57.246 1.00 29.56 C ATOM 159 CG LEU 307 -6.157 33.295 57.181 1.00 29.56 C ATOM 160 CD1 LEU 307 -4.702 33.425 57.656 1.00 29.56 C ATOM 161 CD2 LEU 307 -6.941 32.201 57.927 1.00 29.56 C ATOM 162 C LEU 307 -8.954 35.921 56.932 1.00 29.56 C ATOM 163 O LEU 307 -9.672 36.189 57.893 1.00 29.56 O ATOM 164 N HIS 308 -8.693 36.811 55.956 1.00 41.52 N ATOM 165 CA HIS 308 -9.172 38.162 56.009 1.00 41.52 C ATOM 166 ND1 HIS 308 -8.530 41.391 55.638 1.00 41.52 N ATOM 167 CG HIS 308 -9.134 40.428 54.859 1.00 41.52 C ATOM 168 CB HIS 308 -8.699 38.993 54.804 1.00 41.52 C ATOM 169 NE2 HIS 308 -10.183 42.401 54.546 1.00 41.52 N ATOM 170 CD2 HIS 308 -10.140 41.062 54.199 1.00 41.52 C ATOM 171 CE1 HIS 308 -9.198 42.550 55.413 1.00 41.52 C ATOM 172 C HIS 308 -10.667 38.155 55.998 1.00 41.52 C ATOM 173 O HIS 308 -11.308 38.907 56.730 1.00 41.52 O ATOM 174 N MET 309 -11.259 37.281 55.168 1.00 73.62 N ATOM 175 CA MET 309 -12.681 37.194 55.001 1.00 73.62 C ATOM 176 CB MET 309 -13.071 36.126 53.966 1.00 73.62 C ATOM 177 CG MET 309 -14.577 35.992 53.747 1.00 73.62 C ATOM 178 SD MET 309 -15.034 34.700 52.554 1.00 73.62 S ATOM 179 CE MET 309 -14.565 33.326 53.647 1.00 73.62 C ATOM 180 C MET 309 -13.321 36.806 56.297 1.00 73.62 C ATOM 181 O MET 309 -14.395 37.302 56.635 1.00 73.62 O ATOM 182 N MET 310 -12.664 35.917 57.063 1.00 58.70 N ATOM 183 CA MET 310 -13.245 35.392 58.267 1.00 58.70 C ATOM 184 CB MET 310 -12.286 34.447 59.008 1.00 58.70 C ATOM 185 CG MET 310 -11.918 33.190 58.215 1.00 58.70 C ATOM 186 SD MET 310 -10.686 32.124 59.025 1.00 58.70 S ATOM 187 CE MET 310 -11.760 31.657 60.412 1.00 58.70 C ATOM 188 C MET 310 -13.547 36.515 59.205 1.00 58.70 C ATOM 189 O MET 310 -14.641 36.582 59.763 1.00 58.70 O ATOM 190 N ILE 311 -12.596 37.445 59.398 1.00 67.31 N ATOM 191 CA ILE 311 -12.856 38.501 60.330 1.00 67.31 C ATOM 192 CB ILE 311 -11.617 39.207 60.807 1.00 67.31 C ATOM 193 CG1 ILE 311 -11.940 40.093 62.023 1.00 67.31 C ATOM 194 CG2 ILE 311 -11.003 39.970 59.622 1.00 67.31 C ATOM 195 CD1 ILE 311 -10.702 40.600 62.762 1.00 67.31 C ATOM 196 C ILE 311 -13.768 39.519 59.663 1.00 67.31 C ATOM 197 O ILE 311 -14.273 39.217 58.550 1.00 67.31 O ATOM 198 OXT ILE 311 -13.983 40.608 60.259 1.00 67.31 O