EXPDTA THEORETICAL MODEL, MODELLER 9.19 2017/10/25 12:15:08 REMARK 6 MODELLER OBJECTIVE FUNCTION: 93.2084 REMARK 6 MODELLER BEST TEMPLATE % SEQ ID: 54.167 REMARK 6 SEQUENCE: model REMARK 6 ALIGNMENT: alignment.pir REMARK 6 DOPE score: -1551.72546 REMARK 6 GA341 score: 0.87012 REMARK 6 Normalized DOPE score: -0.79670 REMARK 6 TEMPLATE: 2i13A02 75:A - 98:A MODELS 1: - 24: AT 54.2% ATOM 1 N GLU 214 -25.672 28.325 53.788 1.00 64.77 N ATOM 2 CA GLU 214 -25.752 29.781 53.551 1.00 64.77 C ATOM 3 CB GLU 214 -27.209 30.266 53.611 1.00 64.77 C ATOM 4 CG GLU 214 -28.091 29.814 52.448 1.00 64.77 C ATOM 5 CD GLU 214 -29.519 30.197 52.808 1.00 64.77 C ATOM 6 OE1 GLU 214 -30.072 29.567 53.749 1.00 64.77 O ATOM 7 OE2 GLU 214 -30.072 31.125 52.159 1.00 64.77 O ATOM 8 C GLU 214 -25.009 30.513 54.614 1.00 64.77 C ATOM 9 O GLU 214 -24.458 29.912 55.536 1.00 64.77 O ATOM 10 N LYS 215 -24.957 31.850 54.488 1.00 91.44 N ATOM 11 CA LYS 215 -24.319 32.639 55.494 1.00 91.44 C ATOM 12 CB LYS 215 -23.239 33.571 54.925 1.00 91.44 C ATOM 13 CG LYS 215 -22.129 32.827 54.179 1.00 91.44 C ATOM 14 CD LYS 215 -22.599 32.189 52.867 1.00 91.44 C ATOM 15 CE LYS 215 -21.496 31.447 52.109 1.00 91.44 C ATOM 16 NZ LYS 215 -22.013 30.946 50.814 1.00 91.44 N ATOM 17 C LYS 215 -25.400 33.503 56.054 1.00 91.44 C ATOM 18 O LYS 215 -25.749 34.539 55.491 1.00 91.44 O ATOM 19 N PRO 216 -25.946 33.064 57.150 1.00119.68 N ATOM 20 CA PRO 216 -27.034 33.760 57.783 1.00119.68 C ATOM 21 CD PRO 216 -25.980 31.640 57.436 1.00119.68 C ATOM 22 CB PRO 216 -27.718 32.739 58.701 1.00119.68 C ATOM 23 CG PRO 216 -26.747 31.547 58.761 1.00119.68 C ATOM 24 C PRO 216 -26.680 35.043 58.469 1.00119.68 C ATOM 25 O PRO 216 -27.591 35.818 58.751 1.00119.68 O ATOM 26 N TYR 217 -25.393 35.310 58.757 1.00 63.18 N ATOM 27 CA TYR 217 -25.119 36.501 59.511 1.00 63.18 C ATOM 28 CB TYR 217 -24.140 36.254 60.676 1.00 63.18 C ATOM 29 CG TYR 217 -24.755 35.214 61.551 1.00 63.18 C ATOM 30 CD1 TYR 217 -25.675 35.547 62.520 1.00 63.18 C ATOM 31 CD2 TYR 217 -24.409 33.892 61.396 1.00 63.18 C ATOM 32 CE1 TYR 217 -26.239 34.581 63.319 1.00 63.18 C ATOM 33 CE2 TYR 217 -24.968 32.921 62.191 1.00 63.18 C ATOM 34 CZ TYR 217 -25.885 33.264 63.156 1.00 63.18 C ATOM 35 OH TYR 217 -26.460 32.268 63.974 1.00 63.18 O ATOM 36 C TYR 217 -24.495 37.506 58.596 1.00 63.18 C ATOM 37 O TYR 217 -23.425 37.273 58.036 1.00 63.18 O ATOM 38 N THR 218 -25.153 38.675 58.433 1.00 97.94 N ATOM 39 CA THR 218 -24.637 39.662 57.528 1.00 97.94 C ATOM 40 CB THR 218 -25.622 40.099 56.482 1.00 97.94 C ATOM 41 OG1 THR 218 -24.972 40.879 55.489 1.00 97.94 O ATOM 42 CG2 THR 218 -26.726 40.925 57.161 1.00 97.94 C ATOM 43 C THR 218 -24.238 40.882 58.297 1.00 97.94 C ATOM 44 O THR 218 -24.888 41.268 59.268 1.00 97.94 O ATOM 45 N CYS 219 -23.116 41.504 57.876 1.00 40.02 N ATOM 46 CA CYS 219 -22.615 42.693 58.505 1.00 40.02 C ATOM 47 CB CYS 219 -21.142 42.991 58.172 1.00 40.02 C ATOM 48 SG CYS 219 -20.525 44.500 58.977 1.00 40.02 S ATOM 49 C CYS 219 -23.430 43.857 58.042 1.00 40.02 C ATOM 50 O CYS 219 -23.682 44.024 56.851 1.00 40.02 O ATOM 51 N THR 220 -23.848 44.712 58.991 1.00108.32 N ATOM 52 CA THR 220 -24.683 45.828 58.661 1.00108.32 C ATOM 53 CB THR 220 -25.111 46.615 59.867 1.00108.32 C ATOM 54 OG1 THR 220 -23.983 47.204 60.499 1.00108.32 O ATOM 55 CG2 THR 220 -25.831 45.672 60.843 1.00108.32 C ATOM 56 C THR 220 -23.941 46.771 57.767 1.00108.32 C ATOM 57 O THR 220 -24.507 47.289 56.804 1.00108.32 O ATOM 58 N GLU 221 -22.662 47.058 58.080 1.00 74.26 N ATOM 59 CA GLU 221 -22.007 48.051 57.280 1.00 74.26 C ATOM 60 CB GLU 221 -20.651 48.495 57.845 1.00 74.26 C ATOM 61 CG GLU 221 -20.008 49.573 56.971 1.00 74.26 C ATOM 62 CD GLU 221 -18.530 49.667 57.313 1.00 74.26 C ATOM 63 OE1 GLU 221 -18.152 49.299 58.458 1.00 74.26 O ATOM 64 OE2 GLU 221 -17.757 50.110 56.423 1.00 74.26 O ATOM 65 C GLU 221 -21.728 47.606 55.871 1.00 74.26 C ATOM 66 O GLU 221 -22.241 48.196 54.921 1.00 74.26 O ATOM 67 N CYS 222 -20.886 46.559 55.717 1.00 61.10 N ATOM 68 CA CYS 222 -20.425 46.080 54.436 1.00 61.10 C ATOM 69 CB CYS 222 -19.145 45.236 54.545 1.00 61.10 C ATOM 70 SG CYS 222 -19.358 43.771 55.594 1.00 61.10 S ATOM 71 C CYS 222 -21.454 45.279 53.695 1.00 61.10 C ATOM 72 O CYS 222 -21.585 45.403 52.479 1.00 61.10 O ATOM 73 N GLY 223 -22.220 44.429 54.403 1.00 27.19 N ATOM 74 CA GLY 223 -23.167 43.590 53.726 1.00 27.19 C ATOM 75 C GLY 223 -22.547 42.241 53.501 1.00 27.19 C ATOM 76 O GLY 223 -23.148 41.379 52.860 1.00 27.19 O ATOM 77 N LYS 224 -21.321 42.022 54.023 1.00109.03 N ATOM 78 CA LYS 224 -20.639 40.762 53.881 1.00109.03 C ATOM 79 CB LYS 224 -19.165 40.836 54.313 1.00109.03 C ATOM 80 CG LYS 224 -18.358 39.568 54.029 1.00109.03 C ATOM 81 CD LYS 224 -16.848 39.761 54.188 1.00109.03 C ATOM 82 CE LYS 224 -16.248 40.761 53.199 1.00109.03 C ATOM 83 NZ LYS 224 -16.659 42.135 53.565 1.00109.03 N ATOM 84 C LYS 224 -21.330 39.756 54.756 1.00109.03 C ATOM 85 O LYS 224 -21.779 40.085 55.853 1.00109.03 O ATOM 86 N SER 225 -21.426 38.490 54.295 1.00 51.28 N ATOM 87 CA SER 225 -22.139 37.501 55.059 1.00 51.28 C ATOM 88 CB SER 225 -23.228 36.773 54.248 1.00 51.28 C ATOM 89 OG SER 225 -24.234 37.691 53.845 1.00 51.28 O ATOM 90 C SER 225 -21.178 36.460 55.553 1.00 51.28 C ATOM 91 O SER 225 -20.147 36.204 54.932 1.00 51.28 O ATOM 92 N PHE 226 -21.503 35.832 56.708 1.00144.91 N ATOM 93 CA PHE 226 -20.624 34.862 57.304 1.00144.91 C ATOM 94 CB PHE 226 -19.929 35.396 58.571 1.00144.91 C ATOM 95 CG PHE 226 -19.017 36.510 58.176 1.00144.91 C ATOM 96 CD1 PHE 226 -19.485 37.802 58.096 1.00144.91 C ATOM 97 CD2 PHE 226 -17.696 36.266 57.879 1.00144.91 C ATOM 98 CE1 PHE 226 -18.650 38.833 57.732 1.00144.91 C ATOM 99 CE2 PHE 226 -16.855 37.293 57.515 1.00144.91 C ATOM 100 CZ PHE 226 -17.332 38.580 57.441 1.00144.91 C ATOM 101 C PHE 226 -21.413 33.656 57.723 1.00144.91 C ATOM 102 O PHE 226 -22.601 33.735 58.033 1.00144.91 O ATOM 103 N ARG 227 -20.748 32.483 57.710 1.00 84.87 N ATOM 104 CA ARG 227 -21.357 31.252 58.117 1.00 84.87 C ATOM 105 CB ARG 227 -20.501 30.009 57.821 1.00 84.87 C ATOM 106 CG ARG 227 -20.383 29.689 56.331 1.00 84.87 C ATOM 107 CD ARG 227 -19.874 28.274 56.059 1.00 84.87 C ATOM 108 NE ARG 227 -21.001 27.342 56.345 1.00 84.87 N ATOM 109 CZ ARG 227 -20.799 26.229 57.109 1.00 84.87 C ATOM 110 NH1 ARG 227 -19.556 25.957 57.606 1.00 84.87 N ATOM 111 NH2 ARG 227 -21.841 25.392 57.382 1.00 84.87 N ATOM 112 C ARG 227 -21.605 31.273 59.593 1.00 84.87 C ATOM 113 O ARG 227 -22.609 30.738 60.062 1.00 84.87 O ATOM 114 N CYS 228 -20.686 31.877 60.378 1.00 33.70 N ATOM 115 CA CYS 228 -20.869 31.820 61.803 1.00 33.70 C ATOM 116 CB CYS 228 -19.765 31.023 62.526 1.00 33.70 C ATOM 117 SG CYS 228 -19.799 29.254 62.106 1.00 33.70 S ATOM 118 C CYS 228 -20.895 33.197 62.388 1.00 33.70 C ATOM 119 O CYS 228 -20.245 34.121 61.898 1.00 33.70 O ATOM 120 N LYS 229 -21.674 33.350 63.480 1.00113.01 N ATOM 121 CA LYS 229 -21.845 34.607 64.151 1.00113.01 C ATOM 122 CB LYS 229 -22.961 34.598 65.211 1.00113.01 C ATOM 123 CG LYS 229 -22.787 33.578 66.333 1.00113.01 C ATOM 124 CD LYS 229 -23.755 33.816 67.494 1.00113.01 C ATOM 125 CE LYS 229 -25.227 33.715 67.088 1.00113.01 C ATOM 126 NZ LYS 229 -26.097 34.192 68.185 1.00113.01 N ATOM 127 C LYS 229 -20.558 35.051 64.779 1.00113.01 C ATOM 128 O LYS 229 -20.254 36.242 64.791 1.00113.01 O ATOM 129 N ASN 230 -19.757 34.108 65.309 1.00 28.61 N ATOM 130 CA ASN 230 -18.539 34.479 65.970 1.00 28.61 C ATOM 131 CB ASN 230 -17.740 33.258 66.458 1.00 28.61 C ATOM 132 CG ASN 230 -18.537 32.566 67.554 1.00 28.61 C ATOM 133 OD1 ASN 230 -18.690 33.091 68.655 1.00 28.61 O ATOM 134 ND2 ASN 230 -19.065 31.352 67.242 1.00 28.61 N ATOM 135 C ASN 230 -17.673 35.193 64.984 1.00 28.61 C ATOM 136 O ASN 230 -17.055 36.207 65.309 1.00 28.61 O ATOM 137 N THR 231 -17.616 34.676 63.743 1.00 25.22 N ATOM 138 CA THR 231 -16.783 35.233 62.717 1.00 25.22 C ATOM 139 CB THR 231 -16.820 34.434 61.448 1.00 25.22 C ATOM 140 OG1 THR 231 -16.405 33.099 61.697 1.00 25.22 O ATOM 141 CG2 THR 231 -15.888 35.097 60.418 1.00 25.22 C ATOM 142 C THR 231 -17.250 36.616 62.390 1.00 25.22 C ATOM 143 O THR 231 -16.443 37.521 62.186 1.00 25.22 O ATOM 144 N LEU 232 -18.579 36.819 62.328 1.00104.23 N ATOM 145 CA LEU 232 -19.121 38.103 61.983 1.00104.23 C ATOM 146 CB LEU 232 -20.661 38.062 61.887 1.00104.23 C ATOM 147 CG LEU 232 -21.352 39.396 61.527 1.00104.23 C ATOM 148 CD1 LEU 232 -21.340 40.388 62.697 1.00104.23 C ATOM 149 CD2 LEU 232 -20.762 40.002 60.243 1.00104.23 C ATOM 150 C LEU 232 -18.710 39.097 63.032 1.00104.23 C ATOM 151 O LEU 232 -18.328 40.223 62.715 1.00104.23 O ATOM 152 N ASP 233 -18.749 38.691 64.314 1.00 67.77 N ATOM 153 CA ASP 233 -18.435 39.578 65.398 1.00 67.77 C ATOM 154 CB ASP 233 -18.547 38.889 66.772 1.00 67.77 C ATOM 155 CG ASP 233 -18.391 39.942 67.861 1.00 67.77 C ATOM 156 OD1 ASP 233 -18.214 41.138 67.508 1.00 67.77 O ATOM 157 OD2 ASP 233 -18.446 39.562 69.062 1.00 67.77 O ATOM 158 C ASP 233 -17.023 40.051 65.253 1.00 67.77 C ATOM 159 O ASP 233 -16.726 41.229 65.451 1.00 67.77 O ATOM 160 N HIS 234 -16.114 39.131 64.885 1.00 56.80 N ATOM 161 CA HIS 234 -14.726 39.457 64.737 1.00 56.80 C ATOM 162 ND1 HIS 234 -11.639 38.351 65.488 1.00 56.80 N ATOM 163 CG HIS 234 -12.414 38.447 64.353 1.00 56.80 C ATOM 164 CB HIS 234 -13.895 38.223 64.336 1.00 56.80 C ATOM 165 NE2 HIS 234 -10.260 38.855 63.818 1.00 56.80 N ATOM 166 CD2 HIS 234 -11.556 38.756 63.342 1.00 56.80 C ATOM 167 CE1 HIS 234 -10.361 38.604 65.111 1.00 56.80 C ATOM 168 C HIS 234 -14.622 40.465 63.639 1.00 56.80 C ATOM 169 O HIS 234 -13.885 41.445 63.740 1.00 56.80 O ATOM 170 N HIS 235 -15.394 40.245 62.561 1.00 44.83 N ATOM 171 CA HIS 235 -15.384 41.096 61.408 1.00 44.83 C ATOM 172 ND1 HIS 235 -15.415 41.602 58.142 1.00 44.83 N ATOM 173 CG HIS 235 -16.379 41.514 59.121 1.00 44.83 C ATOM 174 CB HIS 235 -16.323 40.592 60.301 1.00 44.83 C ATOM 175 NE2 HIS 235 -16.993 43.077 57.615 1.00 44.83 N ATOM 176 CD2 HIS 235 -17.335 42.422 58.783 1.00 44.83 C ATOM 177 CE1 HIS 235 -15.832 42.551 57.267 1.00 44.83 C ATOM 178 C HIS 235 -15.836 42.471 61.781 1.00 44.83 C ATOM 179 O HIS 235 -15.256 43.458 61.333 1.00 44.83 O ATOM 180 N MET 236 -16.875 42.579 62.629 1.00 65.23 N ATOM 181 CA MET 236 -17.402 43.875 62.941 1.00 65.23 C ATOM 182 CB MET 236 -18.547 43.830 63.966 1.00 65.23 C ATOM 183 CG MET 236 -19.116 45.213 64.289 1.00 65.23 C ATOM 184 SD MET 236 -20.466 45.219 65.508 1.00 65.23 S ATOM 185 CE MET 236 -19.391 44.812 66.914 1.00 65.23 C ATOM 186 C MET 236 -16.315 44.691 63.556 1.00 65.23 C ATOM 187 O MET 236 -16.121 45.851 63.194 1.00 65.23 O ATOM 188 N ILE 237 -15.555 44.102 64.499 1.00 63.71 N ATOM 189 CA ILE 237 -14.510 44.868 65.104 1.00 63.71 C ATOM 190 CB ILE 237 -13.959 44.253 66.356 1.00 63.71 C ATOM 191 CG1 ILE 237 -13.300 42.897 66.052 1.00 63.71 C ATOM 192 CG2 ILE 237 -15.096 44.175 67.388 1.00 63.71 C ATOM 193 CD1 ILE 237 -12.443 42.370 67.206 1.00 63.71 C ATOM 194 C ILE 237 -13.378 44.943 64.091 1.00 63.71 C ATOM 195 O ILE 237 -12.376 45.652 64.378 1.00 63.71 O ATOM 196 OXT ILE 237 -13.499 44.294 63.019 1.00 63.71 O