EXPDTA THEORETICAL MODEL, MODELLER 9.19 2017/10/25 12:19:11 REMARK 6 MODELLER OBJECTIVE FUNCTION: 118.3383 REMARK 6 MODELLER BEST TEMPLATE % SEQ ID: 54.167 REMARK 6 SEQUENCE: model REMARK 6 ALIGNMENT: alignment.pir REMARK 6 DOPE score: -1574.15759 REMARK 6 GA341 score: 0.89497 REMARK 6 Normalized DOPE score: -0.24025 REMARK 6 TEMPLATE: 2i13A02 75:A - 98:A MODELS 1: - 24: AT 54.2% ATOM 1 N GLU 274 -22.831 36.505 50.145 1.00108.61 N ATOM 2 CA GLU 274 -23.310 35.447 51.061 1.00108.61 C ATOM 3 CB GLU 274 -23.318 34.092 50.341 1.00108.61 C ATOM 4 CG GLU 274 -24.306 34.055 49.176 1.00108.61 C ATOM 5 CD GLU 274 -25.689 34.359 49.736 1.00108.61 C ATOM 6 OE1 GLU 274 -25.957 33.955 50.899 1.00108.61 O ATOM 7 OE2 GLU 274 -26.495 34.996 49.007 1.00108.61 O ATOM 8 C GLU 274 -22.415 35.345 52.249 1.00108.61 C ATOM 9 O GLU 274 -22.849 34.943 53.327 1.00108.61 O ATOM 10 N LYS 275 -21.131 35.706 52.076 1.00123.41 N ATOM 11 CA LYS 275 -20.220 35.638 53.181 1.00123.41 C ATOM 12 CB LYS 275 -18.836 35.110 52.772 1.00123.41 C ATOM 13 CG LYS 275 -18.873 33.697 52.185 1.00123.41 C ATOM 14 CD LYS 275 -19.656 33.617 50.873 1.00123.41 C ATOM 15 CE LYS 275 -19.294 34.725 49.882 1.00123.41 C ATOM 16 NZ LYS 275 -20.130 34.617 48.665 1.00123.41 N ATOM 17 C LYS 275 -20.029 37.040 53.664 1.00123.41 C ATOM 18 O LYS 275 -19.190 37.785 53.162 1.00123.41 O ATOM 19 N PRO 276 -20.813 37.412 54.629 1.00126.64 N ATOM 20 CA PRO 276 -20.822 38.733 55.189 1.00126.64 C ATOM 21 CD PRO 276 -21.652 36.483 55.365 1.00126.64 C ATOM 22 CB PRO 276 -22.029 38.752 56.127 1.00126.64 C ATOM 23 CG PRO 276 -22.148 37.285 56.580 1.00126.64 C ATOM 24 C PRO 276 -19.566 39.118 55.916 1.00126.64 C ATOM 25 O PRO 276 -19.298 40.316 56.010 1.00126.64 O ATOM 26 N PHE 277 -18.779 38.162 56.450 1.00 67.10 N ATOM 27 CA PHE 277 -17.684 38.571 57.290 1.00 67.10 C ATOM 28 CB PHE 277 -17.538 37.682 58.534 1.00 67.10 C ATOM 29 CG PHE 277 -18.857 37.771 59.213 1.00 67.10 C ATOM 30 CD1 PHE 277 -19.153 38.826 60.043 1.00 67.10 C ATOM 31 CD2 PHE 277 -19.807 36.798 58.998 1.00 67.10 C ATOM 32 CE1 PHE 277 -20.378 38.903 60.659 1.00 67.10 C ATOM 33 CE2 PHE 277 -21.033 36.871 59.612 1.00 67.10 C ATOM 34 CZ PHE 277 -21.321 37.926 60.443 1.00 67.10 C ATOM 35 C PHE 277 -16.398 38.502 56.530 1.00 67.10 C ATOM 36 O PHE 277 -16.019 37.444 56.031 1.00 67.10 O ATOM 37 N SER 278 -15.673 39.641 56.460 1.00 71.17 N ATOM 38 CA SER 278 -14.448 39.681 55.710 1.00 71.17 C ATOM 39 CB SER 278 -14.414 40.813 54.664 1.00 71.17 C ATOM 40 OG SER 278 -13.176 40.805 53.967 1.00 71.17 O ATOM 41 C SER 278 -13.301 39.909 56.648 1.00 71.17 C ATOM 42 O SER 278 -13.402 40.668 57.613 1.00 71.17 O ATOM 43 N CYS 279 -12.170 39.220 56.384 1.00 43.47 N ATOM 44 CA CYS 279 -10.985 39.360 57.185 1.00 43.47 C ATOM 45 CB CYS 279 -9.979 38.212 56.990 1.00 43.47 C ATOM 46 SG CYS 279 -8.473 38.378 58.000 1.00 43.47 S ATOM 47 C CYS 279 -10.313 40.632 56.780 1.00 43.47 C ATOM 48 O CYS 279 -10.151 40.913 55.593 1.00 43.47 O ATOM 49 N LYS 280 -9.881 41.429 57.772 1.00117.45 N ATOM 50 CA LYS 280 -9.295 42.704 57.479 1.00117.45 C ATOM 51 CB LYS 280 -8.851 43.471 58.737 1.00117.45 C ATOM 52 CG LYS 280 -9.945 43.790 59.761 1.00117.45 C ATOM 53 CD LYS 280 -10.433 42.569 60.543 1.00117.45 C ATOM 54 CE LYS 280 -10.963 42.908 61.939 1.00117.45 C ATOM 55 NZ LYS 280 -12.009 43.951 61.858 1.00117.45 N ATOM 56 C LYS 280 -8.041 42.521 56.680 1.00117.45 C ATOM 57 O LYS 280 -7.828 43.208 55.680 1.00117.45 O ATOM 58 N GLN 281 -7.149 41.620 57.132 1.00131.78 N ATOM 59 CA GLN 281 -5.879 41.517 56.473 1.00131.78 C ATOM 60 CB GLN 281 -4.826 40.853 57.376 1.00131.78 C ATOM 61 CG GLN 281 -5.186 39.438 57.824 1.00131.78 C ATOM 62 CD GLN 281 -4.226 39.052 58.940 1.00131.78 C ATOM 63 OE1 GLN 281 -4.529 38.183 59.754 1.00131.78 O ATOM 64 NE2 GLN 281 -3.042 39.720 58.990 1.00131.78 N ATOM 65 C GLN 281 -5.900 40.848 55.123 1.00131.78 C ATOM 66 O GLN 281 -5.432 41.432 54.144 1.00131.78 O ATOM 67 N CYS 282 -6.422 39.605 55.041 1.00 69.36 N ATOM 68 CA CYS 282 -6.428 38.811 53.834 1.00 69.36 C ATOM 69 CB CYS 282 -6.562 37.304 54.114 1.00 69.36 C ATOM 70 SG CYS 282 -8.111 36.882 54.957 1.00 69.36 S ATOM 71 C CYS 282 -7.509 39.211 52.871 1.00 69.36 C ATOM 72 O CYS 282 -7.331 39.113 51.657 1.00 69.36 O ATOM 73 N ARG 283 -8.653 39.693 53.393 1.00181.04 N ATOM 74 CA ARG 283 -9.819 40.021 52.617 1.00181.04 C ATOM 75 CB ARG 283 -9.496 40.766 51.311 1.00181.04 C ATOM 76 CG ARG 283 -10.738 41.346 50.628 1.00181.04 C ATOM 77 CD ARG 283 -10.516 41.733 49.167 1.00181.04 C ATOM 78 NE ARG 283 -10.166 40.478 48.443 1.00181.04 N ATOM 79 CZ ARG 283 -11.149 39.635 48.012 1.00181.04 C ATOM 80 NH1 ARG 283 -12.459 39.939 48.247 1.00181.04 N ATOM 81 NH2 ARG 283 -10.822 38.480 47.361 1.00181.04 N ATOM 82 C ARG 283 -10.581 38.773 52.252 1.00181.04 C ATOM 83 O ARG 283 -11.435 38.800 51.368 1.00181.04 O ATOM 84 N LYS 284 -10.324 37.641 52.940 1.00 58.34 N ATOM 85 CA LYS 284 -11.097 36.458 52.665 1.00 58.34 C ATOM 86 CB LYS 284 -10.461 35.158 53.192 1.00 58.34 C ATOM 87 CG LYS 284 -11.201 33.897 52.738 1.00 58.34 C ATOM 88 CD LYS 284 -10.402 32.606 52.934 1.00 58.34 C ATOM 89 CE LYS 284 -11.150 31.355 52.471 1.00 58.34 C ATOM 90 NZ LYS 284 -10.308 30.158 52.687 1.00 58.34 N ATOM 91 C LYS 284 -12.433 36.628 53.332 1.00 58.34 C ATOM 92 O LYS 284 -12.532 37.278 54.372 1.00 58.34 O ATOM 93 N ASN 285 -13.500 36.039 52.746 1.00 57.40 N ATOM 94 CA ASN 285 -14.833 36.221 53.264 1.00 57.40 C ATOM 95 CB ASN 285 -15.830 36.644 52.173 1.00 57.40 C ATOM 96 CG ASN 285 -15.310 37.918 51.518 1.00 57.40 C ATOM 97 OD1 ASN 285 -14.436 38.597 52.055 1.00 57.40 O ATOM 98 ND2 ASN 285 -15.860 38.249 50.319 1.00 57.40 N ATOM 99 C ASN 285 -15.331 34.912 53.815 1.00 57.40 C ATOM 100 O ASN 285 -14.981 33.846 53.312 1.00 57.40 O ATOM 101 N PHE 286 -16.171 34.971 54.875 1.00142.25 N ATOM 102 CA PHE 286 -16.673 33.775 55.503 1.00142.25 C ATOM 103 CB PHE 286 -16.048 33.515 56.884 1.00142.25 C ATOM 104 CG PHE 286 -14.599 33.216 56.707 1.00142.25 C ATOM 105 CD1 PHE 286 -13.682 34.239 56.642 1.00142.25 C ATOM 106 CD2 PHE 286 -14.162 31.916 56.598 1.00142.25 C ATOM 107 CE1 PHE 286 -12.343 33.970 56.479 1.00142.25 C ATOM 108 CE2 PHE 286 -12.825 31.640 56.436 1.00142.25 C ATOM 109 CZ PHE 286 -11.915 32.668 56.378 1.00142.25 C ATOM 110 C PHE 286 -18.147 33.911 55.746 1.00142.25 C ATOM 111 O PHE 286 -18.671 35.009 55.928 1.00142.25 O ATOM 112 N SER 287 -18.856 32.764 55.734 1.00 78.35 N ATOM 113 CA SER 287 -20.264 32.715 55.995 1.00 78.35 C ATOM 114 CB SER 287 -20.892 31.356 55.654 1.00 78.35 C ATOM 115 OG SER 287 -22.278 31.388 55.953 1.00 78.35 O ATOM 116 C SER 287 -20.523 32.961 57.452 1.00 78.35 C ATOM 117 O SER 287 -21.569 33.502 57.807 1.00 78.35 O ATOM 118 N THR 288 -19.582 32.572 58.341 1.00 36.88 N ATOM 119 CA THR 288 -19.859 32.694 59.749 1.00 36.88 C ATOM 120 CB THR 288 -19.955 31.365 60.446 1.00 36.88 C ATOM 121 OG1 THR 288 -20.990 30.583 59.869 1.00 36.88 O ATOM 122 CG2 THR 288 -20.236 31.595 61.941 1.00 36.88 C ATOM 123 C THR 288 -18.783 33.471 60.448 1.00 36.88 C ATOM 124 O THR 288 -17.611 33.438 60.078 1.00 36.88 O ATOM 125 N LYS 289 -19.191 34.188 61.516 1.00 88.89 N ATOM 126 CA LYS 289 -18.324 35.000 62.323 1.00 88.89 C ATOM 127 CB LYS 289 -19.059 35.685 63.486 1.00 88.89 C ATOM 128 CG LYS 289 -20.147 36.673 63.073 1.00 88.89 C ATOM 129 CD LYS 289 -21.063 37.059 64.236 1.00 88.89 C ATOM 130 CE LYS 289 -22.152 38.066 63.865 1.00 88.89 C ATOM 131 NZ LYS 289 -21.561 39.413 63.700 1.00 88.89 N ATOM 132 C LYS 289 -17.312 34.118 62.980 1.00 88.89 C ATOM 133 O LYS 289 -16.128 34.445 63.029 1.00 88.89 O ATOM 134 N LEU 290 -17.764 32.961 63.499 1.00 96.28 N ATOM 135 CA LEU 290 -16.918 32.072 64.244 1.00 96.28 C ATOM 136 CB LEU 290 -17.687 30.863 64.803 1.00 96.28 C ATOM 137 CG LEU 290 -18.812 31.275 65.772 1.00 96.28 C ATOM 138 CD1 LEU 290 -19.503 30.051 66.393 1.00 96.28 C ATOM 139 CD2 LEU 290 -18.299 32.273 66.824 1.00 96.28 C ATOM 140 C LEU 290 -15.826 31.565 63.358 1.00 96.28 C ATOM 141 O LEU 290 -14.683 31.422 63.786 1.00 96.28 O ATOM 142 N ASN 291 -16.147 31.262 62.091 1.00 50.93 N ATOM 143 CA ASN 291 -15.137 30.755 61.213 1.00 50.93 C ATOM 144 CB ASN 291 -15.695 30.318 59.850 1.00 50.93 C ATOM 145 CG ASN 291 -16.576 29.093 60.061 1.00 50.93 C ATOM 146 OD1 ASN 291 -17.058 28.493 59.102 1.00 50.93 O ATOM 147 ND2 ASN 291 -16.802 28.705 61.343 1.00 50.93 N ATOM 148 C ASN 291 -14.120 31.829 60.976 1.00 50.93 C ATOM 149 O ASN 291 -12.922 31.557 60.928 1.00 50.93 O ATOM 150 N LEU 292 -14.576 33.087 60.827 1.00107.48 N ATOM 151 CA LEU 292 -13.674 34.172 60.565 1.00107.48 C ATOM 152 CB LEU 292 -14.417 35.500 60.316 1.00107.48 C ATOM 153 CG LEU 292 -13.517 36.722 60.036 1.00107.48 C ATOM 154 CD1 LEU 292 -12.865 37.255 61.320 1.00107.48 C ATOM 155 CD2 LEU 292 -12.483 36.418 58.942 1.00107.48 C ATOM 156 C LEU 292 -12.739 34.342 61.724 1.00107.48 C ATOM 157 O LEU 292 -11.543 34.560 61.535 1.00107.48 O ATOM 158 N ILE 293 -13.245 34.229 62.965 1.00 91.01 N ATOM 159 CA ILE 293 -12.384 34.458 64.090 1.00 91.01 C ATOM 160 CB ILE 293 -13.079 34.422 65.422 1.00 91.01 C ATOM 161 CG1 ILE 293 -13.627 33.024 65.736 1.00 91.01 C ATOM 162 CG2 ILE 293 -14.153 35.523 65.409 1.00 91.01 C ATOM 163 CD1 ILE 293 -14.111 32.866 67.177 1.00 91.01 C ATOM 164 C ILE 293 -11.294 33.433 64.086 1.00 91.01 C ATOM 165 O ILE 293 -10.137 33.750 64.360 1.00 91.01 O ATOM 166 N ALA 294 -11.627 32.168 63.772 1.00 20.23 N ATOM 167 CA ALA 294 -10.620 31.145 63.773 1.00 20.23 C ATOM 168 CB ALA 294 -11.177 29.759 63.413 1.00 20.23 C ATOM 169 C ALA 294 -9.590 31.497 62.746 1.00 20.23 C ATOM 170 O ALA 294 -8.391 31.373 62.991 1.00 20.23 O ATOM 171 N HIS 295 -10.037 31.973 61.570 1.00 40.83 N ATOM 172 CA HIS 295 -9.140 32.308 60.503 1.00 40.83 C ATOM 173 ND1 HIS 295 -8.364 32.306 57.268 1.00 40.83 N ATOM 174 CG HIS 295 -8.969 33.196 58.126 1.00 40.83 C ATOM 175 CB HIS 295 -9.881 32.806 59.251 1.00 40.83 C ATOM 176 NE2 HIS 295 -7.731 34.340 56.627 1.00 40.83 N ATOM 177 CD2 HIS 295 -8.573 34.434 57.722 1.00 40.83 C ATOM 178 CE1 HIS 295 -7.634 33.045 56.392 1.00 40.83 C ATOM 179 C HIS 295 -8.226 33.403 60.954 1.00 40.83 C ATOM 180 O HIS 295 -7.022 33.359 60.705 1.00 40.83 O ATOM 181 N MET 296 -8.770 34.412 61.656 1.00 93.56 N ATOM 182 CA MET 296 -7.969 35.525 62.077 1.00 93.56 C ATOM 183 CB MET 296 -8.782 36.567 62.862 1.00 93.56 C ATOM 184 CG MET 296 -7.965 37.773 63.330 1.00 93.56 C ATOM 185 SD MET 296 -8.918 39.009 64.266 1.00 93.56 S ATOM 186 CE MET 296 -7.525 40.155 64.476 1.00 93.56 C ATOM 187 C MET 296 -6.893 35.024 62.983 1.00 93.56 C ATOM 188 O MET 296 -5.742 35.444 62.874 1.00 93.56 O ATOM 189 N ARG 297 -7.241 34.096 63.893 1.00 47.32 N ATOM 190 CA ARG 297 -6.284 33.573 64.822 1.00 47.32 C ATOM 191 CB ARG 297 -6.857 32.425 65.670 1.00 47.32 C ATOM 192 CG ARG 297 -8.056 32.864 66.516 1.00 47.32 C ATOM 193 CD ARG 297 -8.832 31.711 67.161 1.00 47.32 C ATOM 194 NE ARG 297 -8.261 31.468 68.515 1.00 47.32 N ATOM 195 CZ ARG 297 -7.285 30.531 68.694 1.00 47.32 C ATOM 196 NH1 ARG 297 -6.824 29.812 67.629 1.00 47.32 N ATOM 197 NH2 ARG 297 -6.770 30.315 69.939 1.00 47.32 N ATOM 198 C ARG 297 -5.105 33.036 64.020 1.00 47.32 C ATOM 199 O ARG 297 -3.980 33.578 64.198 1.00 47.32 O ATOM 200 OXT ARG 297 -5.306 32.082 63.223 1.00 47.32 O