EXPDTA THEORETICAL MODEL, MODELLER 9.19 2017/10/25 12:19:35 REMARK 6 MODELLER OBJECTIVE FUNCTION: 100.8945 REMARK 6 MODELLER BEST TEMPLATE % SEQ ID: 39.130 REMARK 6 SEQUENCE: model REMARK 6 ALIGNMENT: alignment.pir REMARK 6 DOPE score: -1483.09985 REMARK 6 GA341 score: 0.74850 REMARK 6 Normalized DOPE score: -1.38622 REMARK 6 TEMPLATE: 1llmC01 101:C - 123:C MODELS 1: - 23: AT 39.1% ATOM 1 N GLU 215 1.502 34.119 61.334 1.00 58.07 N ATOM 2 CA GLU 215 0.669 34.733 60.279 1.00 58.07 C ATOM 3 CB GLU 215 -0.624 35.323 60.879 1.00 58.07 C ATOM 4 CG GLU 215 -1.647 35.764 59.826 1.00 58.07 C ATOM 5 CD GLU 215 -2.934 36.201 60.523 1.00 58.07 C ATOM 6 OE1 GLU 215 -2.954 36.189 61.782 1.00 58.07 O ATOM 7 OE2 GLU 215 -3.912 36.555 59.809 1.00 58.07 O ATOM 8 C GLU 215 1.462 35.825 59.649 1.00 58.07 C ATOM 9 O GLU 215 2.615 35.618 59.273 1.00 58.07 O ATOM 10 N LYS 216 0.861 37.019 59.493 1.00 95.28 N ATOM 11 CA LYS 216 1.613 38.106 58.932 1.00 95.28 C ATOM 12 CB LYS 216 1.030 38.648 57.619 1.00 95.28 C ATOM 13 CG LYS 216 1.277 37.720 56.432 1.00 95.28 C ATOM 14 CD LYS 216 0.567 36.375 56.535 1.00 95.28 C ATOM 15 CE LYS 216 0.856 35.485 55.326 1.00 95.28 C ATOM 16 NZ LYS 216 0.471 34.090 55.621 1.00 95.28 N ATOM 17 C LYS 216 1.606 39.230 59.913 1.00 95.28 C ATOM 18 O LYS 216 0.639 39.976 60.052 1.00 95.28 O ATOM 19 N PRO 217 2.699 39.310 60.606 1.00 83.37 N ATOM 20 CA PRO 217 2.895 40.325 61.603 1.00 83.37 C ATOM 21 CD PRO 217 3.436 38.097 60.913 1.00 83.37 C ATOM 22 CB PRO 217 3.955 39.776 62.564 1.00 83.37 C ATOM 23 CG PRO 217 4.568 38.572 61.831 1.00 83.37 C ATOM 24 C PRO 217 3.203 41.701 61.090 1.00 83.37 C ATOM 25 O PRO 217 3.184 42.626 61.901 1.00 83.37 O ATOM 26 N PHE 218 3.499 41.884 59.787 1.00 71.12 N ATOM 27 CA PHE 218 3.926 43.198 59.389 1.00 71.12 C ATOM 28 CB PHE 218 5.221 43.143 58.563 1.00 71.12 C ATOM 29 CG PHE 218 6.230 42.499 59.455 1.00 71.12 C ATOM 30 CD1 PHE 218 6.267 41.125 59.598 1.00 71.12 C ATOM 31 CD2 PHE 218 7.133 43.271 60.153 1.00 71.12 C ATOM 32 CE1 PHE 218 7.194 40.531 60.426 1.00 71.12 C ATOM 33 CE2 PHE 218 8.058 42.678 60.979 1.00 71.12 C ATOM 34 CZ PHE 218 8.087 41.313 61.125 1.00 71.12 C ATOM 35 C PHE 218 2.867 43.871 58.571 1.00 71.12 C ATOM 36 O PHE 218 2.575 43.454 57.451 1.00 71.12 O ATOM 37 N PRO 219 2.277 44.901 59.141 1.00149.59 N ATOM 38 CA PRO 219 1.240 45.622 58.432 1.00149.59 C ATOM 39 CD PRO 219 1.957 44.790 60.556 0.50149.59 C ATOM 40 CB PRO 219 0.251 46.126 59.486 0.50149.59 C ATOM 41 CG PRO 219 0.483 45.202 60.691 0.50149.59 C ATOM 42 C PRO 219 1.697 46.766 57.577 1.00149.59 C ATOM 43 O PRO 219 2.694 47.412 57.894 1.00149.59 O ATOM 44 N CYS 220 0.940 47.076 56.508 1.00 38.93 N ATOM 45 CA CYS 220 1.232 48.229 55.707 1.00 38.93 C ATOM 46 CB CYS 220 1.188 47.946 54.196 1.00 38.93 C ATOM 47 SG CYS 220 1.559 49.402 53.177 1.00 38.93 S ATOM 48 C CYS 220 0.158 49.218 56.039 1.00 38.93 C ATOM 49 O CYS 220 -1.020 48.870 56.087 1.00 38.93 O ATOM 50 N ASP 221 0.556 50.471 56.322 1.00 47.01 N ATOM 51 CA ASP 221 -0.358 51.519 56.681 1.00 47.01 C ATOM 52 CB ASP 221 0.362 52.789 57.155 1.00 47.01 C ATOM 53 CG ASP 221 1.060 52.462 58.465 1.00 47.01 C ATOM 54 OD1 ASP 221 1.338 51.259 58.713 1.00 47.01 O ATOM 55 OD2 ASP 221 1.313 53.422 59.241 1.00 47.01 O ATOM 56 C ASP 221 -1.179 51.910 55.493 1.00 47.01 C ATOM 57 O ASP 221 -2.329 52.334 55.626 1.00 47.01 O ATOM 58 N GLN 222 -0.579 51.809 54.296 1.00 63.55 N ATOM 59 CA GLN 222 -1.229 52.291 53.117 1.00 63.55 C ATOM 60 CB GLN 222 -0.309 52.165 51.885 1.00 63.55 C ATOM 61 CG GLN 222 0.986 52.974 52.040 1.00 63.55 C ATOM 62 CD GLN 222 1.883 52.750 50.829 1.00 63.55 C ATOM 63 OE1 GLN 222 3.039 52.355 50.963 1.00 63.55 O ATOM 64 NE2 GLN 222 1.341 53.024 49.614 1.00 63.55 N ATOM 65 C GLN 222 -2.496 51.531 52.856 1.00 63.55 C ATOM 66 O GLN 222 -3.559 52.142 52.748 1.00 63.55 O ATOM 67 N CYS 223 -2.442 50.180 52.813 1.00127.33 N ATOM 68 CA CYS 223 -3.632 49.451 52.457 1.00127.33 C ATOM 69 CB CYS 223 -3.506 48.700 51.115 1.00127.33 C ATOM 70 SG CYS 223 -2.208 47.425 51.129 1.00127.33 S ATOM 71 C CYS 223 -3.954 48.425 53.500 1.00127.33 C ATOM 72 O CYS 223 -4.886 47.640 53.325 1.00127.33 O ATOM 73 N GLU 224 -3.218 48.433 54.625 1.00240.29 N ATOM 74 CA GLU 224 -3.431 47.502 55.698 1.00240.29 C ATOM 75 CB GLU 224 -4.846 47.558 56.306 1.00240.29 C ATOM 76 CG GLU 224 -5.100 48.758 57.223 1.00240.29 C ATOM 77 CD GLU 224 -4.496 48.466 58.595 1.00240.29 C ATOM 78 OE1 GLU 224 -3.276 48.160 58.655 1.00240.29 O ATOM 79 OE2 GLU 224 -5.252 48.549 59.603 1.00240.29 O ATOM 80 C GLU 224 -3.199 46.091 55.247 1.00240.29 C ATOM 81 O GLU 224 -3.758 45.159 55.826 1.00240.29 O ATOM 82 N LYS 225 -2.350 45.876 54.224 1.00 91.84 N ATOM 83 CA LYS 225 -2.054 44.522 53.838 1.00 91.84 C ATOM 84 CB LYS 225 -1.451 44.395 52.423 1.00 91.84 C ATOM 85 CG LYS 225 -1.308 42.955 51.919 1.00 91.84 C ATOM 86 CD LYS 225 -1.038 42.866 50.415 1.00 91.84 C ATOM 87 CE LYS 225 -0.917 41.427 49.907 1.00 91.84 C ATOM 88 NZ LYS 225 -2.226 40.744 50.020 1.00 91.84 N ATOM 89 C LYS 225 -1.053 44.021 54.833 1.00 91.84 C ATOM 90 O LYS 225 -0.243 44.790 55.346 1.00 91.84 O ATOM 91 N ARG 226 -1.097 42.709 55.145 1.00 97.72 N ATOM 92 CA ARG 226 -0.201 42.150 56.122 1.00 97.72 C ATOM 93 CB ARG 226 -0.913 41.253 57.157 1.00 97.72 C ATOM 94 CG ARG 226 -2.033 41.950 57.931 1.00 97.72 C ATOM 95 CD ARG 226 -2.748 41.047 58.940 1.00 97.72 C ATOM 96 NE ARG 226 -2.157 41.299 60.284 1.00 97.72 N ATOM 97 CZ ARG 226 -2.938 41.148 61.393 1.00 97.72 C ATOM 98 NH1 ARG 226 -4.239 40.760 61.248 1.00 97.72 N ATOM 99 NH2 ARG 226 -2.430 41.381 62.638 1.00 97.72 N ATOM 100 C ARG 226 0.768 41.285 55.380 1.00 97.72 C ATOM 101 O ARG 226 0.423 40.697 54.357 1.00 97.72 O ATOM 102 N TYR 227 2.020 41.190 55.878 1.00117.10 N ATOM 103 CA TYR 227 2.995 40.405 55.180 1.00117.10 C ATOM 104 CB TYR 227 4.066 41.238 54.451 1.00117.10 C ATOM 105 CG TYR 227 3.428 41.963 53.306 1.00117.10 C ATOM 106 CD1 TYR 227 2.827 43.188 53.490 1.00117.10 C ATOM 107 CD2 TYR 227 3.427 41.425 52.039 1.00117.10 C ATOM 108 CE1 TYR 227 2.240 43.864 52.441 1.00117.10 C ATOM 109 CE2 TYR 227 2.842 42.094 50.984 1.00117.10 C ATOM 110 CZ TYR 227 2.252 43.322 51.177 1.00117.10 C ATOM 111 OH TYR 227 1.658 44.005 50.091 1.00117.10 O ATOM 112 C TYR 227 3.696 39.495 56.135 1.00117.10 C ATOM 113 O TYR 227 3.813 39.774 57.328 1.00117.10 O ATOM 114 N VAL 228 4.163 38.356 55.593 1.00 97.52 N ATOM 115 CA VAL 228 4.856 37.339 56.321 1.00 97.52 C ATOM 116 CB VAL 228 5.159 36.133 55.477 1.00 97.52 C ATOM 117 CG1 VAL 228 3.840 35.529 54.974 1.00 97.52 C ATOM 118 CG2 VAL 228 6.102 36.547 54.337 1.00 97.52 C ATOM 119 C VAL 228 6.171 37.871 56.809 1.00 97.52 C ATOM 120 O VAL 228 6.606 37.536 57.910 1.00 97.52 O ATOM 121 N CYS 229 6.865 38.702 55.999 1.00 48.19 N ATOM 122 CA CYS 229 8.170 39.125 56.433 1.00 48.19 C ATOM 123 CB CYS 229 9.317 38.506 55.618 1.00 48.19 C ATOM 124 SG CYS 229 9.473 36.725 55.954 1.00 48.19 S ATOM 125 C CYS 229 8.318 40.617 56.400 1.00 48.19 C ATOM 126 O CYS 229 7.719 41.318 55.586 1.00 48.19 O ATOM 127 N ARG 230 9.166 41.120 57.320 1.00144.27 N ATOM 128 CA ARG 230 9.446 42.513 57.528 1.00144.27 C ATOM 129 CB ARG 230 10.405 42.744 58.705 1.00144.27 C ATOM 130 CG ARG 230 10.807 44.208 58.884 1.00144.27 C ATOM 131 CD ARG 230 11.779 44.421 60.043 1.00144.27 C ATOM 132 NE ARG 230 11.006 44.222 61.300 1.00144.27 N ATOM 133 CZ ARG 230 11.447 43.329 62.234 1.00144.27 C ATOM 134 NH1 ARG 230 12.581 42.605 62.001 1.00144.27 N ATOM 135 NH2 ARG 230 10.743 43.153 63.391 1.00144.27 N ATOM 136 C ARG 230 10.100 43.124 56.326 1.00144.27 C ATOM 137 O ARG 230 9.753 44.238 55.934 1.00144.27 O ATOM 138 N ASP 231 11.071 42.422 55.706 1.00 49.62 N ATOM 139 CA ASP 231 11.754 43.020 54.593 1.00 49.62 C ATOM 140 CB ASP 231 12.955 42.212 54.047 1.00 49.62 C ATOM 141 CG ASP 231 12.509 40.842 53.560 1.00 49.62 C ATOM 142 OD1 ASP 231 11.651 40.232 54.251 1.00 49.62 O ATOM 143 OD2 ASP 231 13.029 40.375 52.510 1.00 49.62 O ATOM 144 C ASP 231 10.778 43.239 53.491 1.00 49.62 C ATOM 145 O ASP 231 10.831 44.257 52.803 1.00 49.62 O ATOM 146 N HIS 232 9.848 42.291 53.304 1.00 41.85 N ATOM 147 CA HIS 232 8.878 42.413 52.258 1.00 41.85 C ATOM 148 ND1 HIS 232 9.001 39.812 50.224 1.00 41.85 N ATOM 149 CG HIS 232 8.776 40.009 51.568 1.00 41.85 C ATOM 150 CB HIS 232 7.998 41.165 52.116 1.00 41.85 C ATOM 151 NE2 HIS 232 10.019 38.148 51.288 1.00 41.85 N ATOM 152 CD2 HIS 232 9.406 38.984 52.204 1.00 41.85 C ATOM 153 CE1 HIS 232 9.749 38.686 50.112 1.00 41.85 C ATOM 154 C HIS 232 8.006 43.597 52.535 1.00 41.85 C ATOM 155 O HIS 232 7.608 44.310 51.617 1.00 41.85 O ATOM 156 N LEU 233 7.684 43.837 53.817 1.00 42.98 N ATOM 157 CA LEU 233 6.848 44.947 54.175 1.00 42.98 C ATOM 158 CB LEU 233 6.638 45.026 55.694 0.50 42.98 C ATOM 159 CG LEU 233 5.766 46.193 56.185 0.50 42.98 C ATOM 160 CD1 LEU 233 4.286 46.018 55.801 0.50 42.98 C ATOM 161 CD2 LEU 233 5.986 46.419 57.686 0.50 42.98 C ATOM 162 C LEU 233 7.530 46.208 53.752 1.00 42.98 C ATOM 163 O LEU 233 6.896 47.112 53.211 1.00 42.98 O ATOM 164 N ASN 234 8.854 46.287 53.971 1.00 66.04 N ATOM 165 CA ASN 234 9.616 47.460 53.653 1.00 66.04 C ATOM 166 CB ASN 234 11.106 47.273 54.026 1.00 66.04 C ATOM 167 CG ASN 234 11.878 48.584 53.937 1.00 66.04 C ATOM 168 OD1 ASN 234 11.698 49.370 53.009 1.00 66.04 O ATOM 169 ND2 ASN 234 12.780 48.820 54.931 1.00 66.04 N ATOM 170 C ASN 234 9.522 47.719 52.178 1.00 66.04 C ATOM 171 O ASN 234 9.239 48.840 51.753 1.00 66.04 O ATOM 172 N ARG 235 9.741 46.671 51.361 1.00111.98 N ATOM 173 CA ARG 235 9.764 46.789 49.929 1.00111.98 C ATOM 174 CB ARG 235 10.267 45.502 49.254 1.00111.98 C ATOM 175 CG ARG 235 11.670 45.145 49.755 1.00111.98 C ATOM 176 CD ARG 235 12.370 43.994 49.030 1.00111.98 C ATOM 177 NE ARG 235 13.020 44.574 47.824 1.00111.98 N ATOM 178 CZ ARG 235 14.206 45.233 47.961 1.00111.98 C ATOM 179 NH1 ARG 235 14.736 45.407 49.207 1.00111.98 N ATOM 180 NH2 ARG 235 14.847 45.733 46.866 1.00111.98 N ATOM 181 C ARG 235 8.403 47.116 49.410 1.00111.98 C ATOM 182 O ARG 235 8.263 47.917 48.487 1.00111.98 O ATOM 183 N HIS 236 7.361 46.511 50.007 1.00 47.36 N ATOM 184 CA HIS 236 6.021 46.731 49.544 1.00 47.36 C ATOM 185 ND1 HIS 236 2.949 46.302 48.848 1.00 47.36 N ATOM 186 CG HIS 236 3.545 46.416 50.085 1.00 47.36 C ATOM 187 CB HIS 236 4.960 46.004 50.396 1.00 47.36 C ATOM 188 NE2 HIS 236 1.427 47.190 50.207 1.00 47.36 N ATOM 189 CD2 HIS 236 2.602 46.960 50.903 1.00 47.36 C ATOM 190 CE1 HIS 236 1.683 46.779 48.978 1.00 47.36 C ATOM 191 C HIS 236 5.721 48.183 49.635 1.00 47.36 C ATOM 192 O HIS 236 5.121 48.761 48.729 1.00 47.36 O ATOM 193 N LYS 237 6.144 48.808 50.742 1.00 57.18 N ATOM 194 CA LYS 237 5.875 50.193 50.961 1.00 57.18 C ATOM 195 CB LYS 237 6.605 50.723 52.201 1.00 57.18 C ATOM 196 CG LYS 237 5.972 51.965 52.820 1.00 57.18 C ATOM 197 CD LYS 237 6.425 52.171 54.266 1.00 57.18 C ATOM 198 CE LYS 237 5.485 53.055 55.084 1.00 57.18 C ATOM 199 NZ LYS 237 5.737 52.850 56.527 1.00 57.18 N ATOM 200 C LYS 237 6.355 50.985 49.746 1.00 57.18 C ATOM 201 O LYS 237 5.682 51.993 49.398 1.00 57.18 O ATOM 202 OXT LYS 237 7.393 50.589 49.149 1.00 57.18 O