EXPDTA THEORETICAL MODEL, MODELLER 9.19 2017/10/25 12:12:34 REMARK 6 MODELLER OBJECTIVE FUNCTION: 101.3562 REMARK 6 MODELLER BEST TEMPLATE % SEQ ID: 44.828 REMARK 6 SEQUENCE: model REMARK 6 ALIGNMENT: alignment.pir REMARK 6 DOPE score: -1773.36389 REMARK 6 GA341 score: 0.99534 REMARK 6 Normalized DOPE score: -0.68529 REMARK 6 TEMPLATE: 1llmC01 101:C - 129:C MODELS 1: - 29: AT 44.8% ATOM 1 N GLU 203 -6.922 41.515 69.830 1.00 52.00 N ATOM 2 CA GLU 203 -6.708 42.688 68.957 1.00 52.00 C ATOM 3 CB GLU 203 -7.262 43.964 69.622 1.00 52.00 C ATOM 4 CG GLU 203 -6.629 44.279 70.981 1.00 52.00 C ATOM 5 CD GLU 203 -7.334 45.496 71.564 1.00 52.00 C ATOM 6 OE1 GLU 203 -7.550 46.476 70.799 1.00 52.00 O ATOM 7 OE2 GLU 203 -7.662 45.464 72.781 1.00 52.00 O ATOM 8 C GLU 203 -5.260 42.868 68.652 1.00 52.00 C ATOM 9 O GLU 203 -4.550 41.906 68.364 1.00 52.00 O ATOM 10 N LYS 204 -4.779 44.124 68.682 1.00 57.07 N ATOM 11 CA LYS 204 -3.397 44.340 68.376 1.00 57.07 C ATOM 12 CB LYS 204 -3.193 45.492 67.384 1.00 57.07 C ATOM 13 CG LYS 204 -3.938 45.291 66.065 1.00 57.07 C ATOM 14 CD LYS 204 -4.078 46.582 65.262 1.00 57.07 C ATOM 15 CE LYS 204 -5.048 46.467 64.088 1.00 57.07 C ATOM 16 NZ LYS 204 -5.234 47.792 63.459 1.00 57.07 N ATOM 17 C LYS 204 -2.741 44.740 69.657 1.00 57.07 C ATOM 18 O LYS 204 -2.908 45.853 70.141 1.00 57.07 O ATOM 19 N PRO 205 -2.027 43.824 70.237 1.00 81.03 N ATOM 20 CA PRO 205 -1.344 44.072 71.477 1.00 81.03 C ATOM 21 CD PRO 205 -2.291 42.412 70.023 1.00 81.03 C ATOM 22 CB PRO 205 -1.065 42.689 72.078 1.00 81.03 C ATOM 23 CG PRO 205 -1.267 41.699 70.917 1.00 81.03 C ATOM 24 C PRO 205 -0.115 44.924 71.381 1.00 81.03 C ATOM 25 O PRO 205 0.299 45.456 72.410 1.00 81.03 O ATOM 26 N PHE 206 0.504 45.073 70.192 1.00 60.16 N ATOM 27 CA PHE 206 1.762 45.766 70.182 1.00 60.16 C ATOM 28 CB PHE 206 2.881 44.957 69.507 1.00 60.16 C ATOM 29 CG PHE 206 3.076 43.739 70.341 1.00 60.16 C ATOM 30 CD1 PHE 206 2.294 42.623 70.144 1.00 60.16 C ATOM 31 CD2 PHE 206 4.042 43.709 71.319 1.00 60.16 C ATOM 32 CE1 PHE 206 2.471 41.499 70.917 1.00 60.16 C ATOM 33 CE2 PHE 206 4.223 42.587 72.094 1.00 60.16 C ATOM 34 CZ PHE 206 3.438 41.478 71.892 1.00 60.16 C ATOM 35 C PHE 206 1.628 47.061 69.454 1.00 60.16 C ATOM 36 O PHE 206 1.225 47.097 68.292 1.00 60.16 O ATOM 37 N THR 207 2.015 48.168 70.120 1.00101.30 N ATOM 38 CA THR 207 1.844 49.447 69.500 1.00101.30 C ATOM 39 CB THR 207 0.972 50.384 70.281 0.50101.30 C ATOM 40 OG1 THR 207 0.641 51.521 69.495 1.00101.30 O ATOM 41 CG2 THR 207 1.724 50.815 71.551 1.00101.30 C ATOM 42 C THR 207 3.168 50.117 69.323 1.00101.30 C ATOM 43 O THR 207 4.090 49.960 70.124 1.00101.30 O ATOM 44 N CYS 208 3.275 50.890 68.226 1.00 39.88 N ATOM 45 CA CYS 208 4.459 51.632 67.915 1.00 39.88 C ATOM 46 CB CYS 208 4.557 52.000 66.420 1.00 39.88 C ATOM 47 SG CYS 208 6.055 52.948 66.013 1.00 39.88 S ATOM 48 C CYS 208 4.363 52.903 68.690 1.00 39.88 C ATOM 49 O CYS 208 3.329 53.571 68.689 1.00 39.88 O ATOM 50 N THR 209 5.446 53.253 69.403 1.00105.81 N ATOM 51 CA THR 209 5.449 54.422 70.225 1.00105.81 C ATOM 52 CB THR 209 6.683 54.520 71.074 1.00105.81 C ATOM 53 OG1 THR 209 6.583 55.627 71.957 1.00105.81 O ATOM 54 CG2 THR 209 7.910 54.672 70.160 1.00105.81 C ATOM 55 C THR 209 5.359 55.663 69.391 1.00105.81 C ATOM 56 O THR 209 4.660 56.607 69.762 1.00105.81 O ATOM 57 N GLN 210 6.096 55.728 68.262 1.00146.40 N ATOM 58 CA GLN 210 6.072 56.960 67.521 1.00146.40 C ATOM 59 CB GLN 210 7.133 57.014 66.410 1.00146.40 C ATOM 60 CG GLN 210 7.141 58.348 65.661 1.00146.40 C ATOM 61 CD GLN 210 7.660 59.415 66.613 1.00146.40 C ATOM 62 OE1 GLN 210 8.549 59.155 67.422 1.00146.40 O ATOM 63 NE2 GLN 210 7.086 60.646 66.523 1.00146.40 N ATOM 64 C GLN 210 4.744 57.203 66.865 1.00146.40 C ATOM 65 O GLN 210 4.101 58.226 67.099 1.00146.40 O ATOM 66 N CYS 211 4.316 56.249 66.019 1.00101.77 N ATOM 67 CA CYS 211 3.111 56.306 65.239 1.00101.77 C ATOM 68 CB CYS 211 3.127 55.203 64.173 1.00101.77 C ATOM 69 SG CYS 211 1.645 55.171 63.132 1.00101.77 S ATOM 70 C CYS 211 1.892 56.108 66.082 1.00101.77 C ATOM 71 O CYS 211 0.900 56.820 65.932 1.00101.77 O ATOM 72 N GLY 212 1.933 55.118 66.992 1.00 22.05 N ATOM 73 CA GLY 212 0.793 54.828 67.808 1.00 22.05 C ATOM 74 C GLY 212 -0.025 53.769 67.128 1.00 22.05 C ATOM 75 O GLY 212 -1.077 53.377 67.629 1.00 22.05 O ATOM 76 N ARG 213 0.441 53.268 65.966 1.00 59.52 N ATOM 77 CA ARG 213 -0.273 52.243 65.253 1.00 59.52 C ATOM 78 CB ARG 213 0.284 51.981 63.840 1.00 59.52 C ATOM 79 CG ARG 213 -0.579 51.045 62.990 1.00 59.52 C ATOM 80 CD ARG 213 0.000 50.777 61.599 1.00 59.52 C ATOM 81 NE ARG 213 -0.960 49.902 60.871 1.00 59.52 N ATOM 82 CZ ARG 213 -0.617 49.381 59.656 1.00 59.52 C ATOM 83 NH1 ARG 213 0.618 49.632 59.131 1.00 59.52 N ATOM 84 NH2 ARG 213 -1.507 48.610 58.970 1.00 59.52 N ATOM 85 C ARG 213 -0.140 50.977 66.039 1.00 59.52 C ATOM 86 O ARG 213 0.849 50.775 66.742 1.00 59.52 O ATOM 87 N SER 214 -1.153 50.088 65.952 1.00 76.89 N ATOM 88 CA SER 214 -1.098 48.891 66.738 1.00 76.89 C ATOM 89 CB SER 214 -2.318 48.733 67.651 1.00 76.89 C ATOM 90 OG SER 214 -2.054 47.717 68.600 1.00 76.89 O ATOM 91 C SER 214 -1.020 47.711 65.813 1.00 76.89 C ATOM 92 O SER 214 -1.528 47.752 64.693 1.00 76.89 O ATOM 93 N PHE 215 -0.368 46.617 66.268 1.00 54.56 N ATOM 94 CA PHE 215 -0.173 45.487 65.403 1.00 54.56 C ATOM 95 CB PHE 215 1.288 45.321 64.954 1.00 54.56 C ATOM 96 CG PHE 215 1.720 46.566 64.256 1.00 54.56 C ATOM 97 CD1 PHE 215 2.135 47.655 64.990 1.00 54.56 C ATOM 98 CD2 PHE 215 1.725 46.641 62.881 1.00 54.56 C ATOM 99 CE1 PHE 215 2.542 48.808 64.362 1.00 54.56 C ATOM 100 CE2 PHE 215 2.130 47.793 62.249 1.00 54.56 C ATOM 101 CZ PHE 215 2.539 48.875 62.989 1.00 54.56 C ATOM 102 C PHE 215 -0.522 44.230 66.144 1.00 54.56 C ATOM 103 O PHE 215 -0.417 44.154 67.368 1.00 54.56 O ATOM 104 N SER 216 -0.962 43.205 65.386 1.00 38.53 N ATOM 105 CA SER 216 -1.339 41.927 65.915 1.00 38.53 C ATOM 106 CB SER 216 -2.068 41.053 64.878 1.00 38.53 C ATOM 107 OG SER 216 -1.224 40.795 63.766 1.00 38.53 O ATOM 108 C SER 216 -0.129 41.177 66.392 1.00 38.53 C ATOM 109 O SER 216 -0.218 40.396 67.341 1.00 38.53 O ATOM 110 N GLN 217 1.041 41.375 65.748 1.00 49.16 N ATOM 111 CA GLN 217 2.175 40.610 66.188 1.00 49.16 C ATOM 112 CB GLN 217 2.605 39.503 65.213 1.00 49.16 C ATOM 113 CG GLN 217 1.567 38.383 65.103 1.00 49.16 C ATOM 114 CD GLN 217 2.160 37.274 64.248 1.00 49.16 C ATOM 115 OE1 GLN 217 2.016 37.264 63.027 1.00 49.16 O ATOM 116 NE2 GLN 217 2.854 36.311 64.914 1.00 49.16 N ATOM 117 C GLN 217 3.360 41.490 66.436 1.00 49.16 C ATOM 118 O GLN 217 3.567 42.511 65.781 1.00 49.16 O ATOM 119 N SER 218 4.181 41.066 67.416 1.00 32.65 N ATOM 120 CA SER 218 5.340 41.781 67.863 1.00 32.65 C ATOM 121 CB SER 218 5.984 41.156 69.114 1.00 32.65 C ATOM 122 OG SER 218 6.480 39.857 68.828 1.00 32.65 O ATOM 123 C SER 218 6.381 41.843 66.787 1.00 32.65 C ATOM 124 O SER 218 7.053 42.861 66.638 1.00 32.65 O ATOM 125 N SER 219 6.551 40.761 66.002 1.00 60.59 N ATOM 126 CA SER 219 7.563 40.764 64.982 1.00 60.59 C ATOM 127 CB SER 219 7.678 39.421 64.238 1.00 60.59 C ATOM 128 OG SER 219 8.691 39.500 63.246 1.00 60.59 O ATOM 129 C SER 219 7.219 41.817 63.975 1.00 60.59 C ATOM 130 O SER 219 8.099 42.505 63.458 1.00 60.59 O ATOM 131 N HIS 220 5.917 41.974 63.676 1.00 38.18 N ATOM 132 CA HIS 220 5.490 42.946 62.712 1.00 38.18 C ATOM 133 ND1 HIS 220 3.905 41.163 60.592 1.00 38.18 N ATOM 134 CG HIS 220 3.519 41.615 61.834 1.00 38.18 C ATOM 135 CB HIS 220 3.980 42.909 62.431 1.00 38.18 C ATOM 136 NE2 HIS 220 2.516 39.637 61.422 1.00 38.18 N ATOM 137 CD2 HIS 220 2.672 40.672 62.327 1.00 38.18 C ATOM 138 CE1 HIS 220 3.276 39.976 60.397 1.00 38.18 C ATOM 139 C HIS 220 5.798 44.303 63.247 1.00 38.18 C ATOM 140 O HIS 220 6.173 45.200 62.496 1.00 38.18 O ATOM 141 N LEU 221 5.624 44.492 64.569 1.00 38.05 N ATOM 142 CA LEU 221 5.884 45.768 65.163 1.00 38.05 C ATOM 143 CB LEU 221 5.587 45.812 66.669 0.50 38.05 C ATOM 144 CG LEU 221 5.906 47.178 67.301 0.50 38.05 C ATOM 145 CD1 LEU 221 5.034 48.296 66.709 0.50 38.05 C ATOM 146 CD2 LEU 221 5.830 47.110 68.834 0.50 38.05 C ATOM 147 C LEU 221 7.332 46.091 64.997 1.00 38.05 C ATOM 148 O LEU 221 7.693 47.228 64.694 1.00 38.05 O ATOM 149 N ASN 222 8.205 45.087 65.181 1.00 69.60 N ATOM 150 CA ASN 222 9.618 45.327 65.121 1.00 69.60 C ATOM 151 CB ASN 222 10.440 44.048 65.374 1.00 69.60 C ATOM 152 CG ASN 222 11.896 44.443 65.570 1.00 69.60 C ATOM 153 OD1 ASN 222 12.225 45.624 65.668 1.00 69.60 O ATOM 154 ND2 ASN 222 12.801 43.428 65.617 1.00 69.60 N ATOM 155 C ASN 222 9.991 45.846 63.765 1.00 69.60 C ATOM 156 O ASN 222 10.702 46.844 63.658 1.00 69.60 O ATOM 157 N GLU 223 9.507 45.194 62.690 1.00 76.01 N ATOM 158 CA GLU 223 9.858 45.594 61.354 1.00 76.01 C ATOM 159 CB GLU 223 9.334 44.636 60.271 1.00 76.01 C ATOM 160 CG GLU 223 7.811 44.509 60.238 1.00 76.01 C ATOM 161 CD GLU 223 7.440 43.622 59.059 1.00 76.01 C ATOM 162 OE1 GLU 223 8.333 43.360 58.209 1.00 76.01 O ATOM 163 OE2 GLU 223 6.257 43.197 58.991 1.00 76.01 O ATOM 164 C GLU 223 9.294 46.951 61.061 1.00 76.01 C ATOM 165 O GLU 223 9.951 47.780 60.433 1.00 76.01 O ATOM 166 N HIS 224 8.063 47.222 61.533 1.00 62.69 N ATOM 167 CA HIS 224 7.393 48.462 61.250 1.00 62.69 C ATOM 168 ND1 HIS 224 4.742 50.366 60.631 1.00 62.69 N ATOM 169 CG HIS 224 5.390 49.921 61.760 1.00 62.69 C ATOM 170 CB HIS 224 6.012 48.564 61.920 1.00 62.69 C ATOM 171 NE2 HIS 224 4.694 52.041 62.095 1.00 62.69 N ATOM 172 CD2 HIS 224 5.350 50.957 62.644 1.00 62.69 C ATOM 173 CE1 HIS 224 4.346 51.640 60.884 1.00 62.69 C ATOM 174 C HIS 224 8.201 49.605 61.771 1.00 62.69 C ATOM 175 O HIS 224 8.307 50.645 61.123 1.00 62.69 O ATOM 176 N MET 225 8.823 49.420 62.944 1.00113.89 N ATOM 177 CA MET 225 9.560 50.456 63.608 1.00113.89 C ATOM 178 CB MET 225 10.143 49.990 64.952 1.00113.89 C ATOM 179 CG MET 225 10.576 51.141 65.863 1.00113.89 C ATOM 180 SD MET 225 11.024 50.631 67.550 1.00113.89 S ATOM 181 CE MET 225 11.105 52.322 68.208 1.00113.89 C ATOM 182 C MET 225 10.686 50.892 62.723 1.00113.89 C ATOM 183 O MET 225 11.084 52.055 62.737 1.00113.89 O ATOM 184 N MET 226 11.216 49.964 61.908 1.00 45.46 N ATOM 185 CA MET 226 12.328 50.248 61.050 1.00 45.46 C ATOM 186 CB MET 226 12.764 49.056 60.178 1.00 45.46 C ATOM 187 CG MET 226 13.448 47.939 60.971 1.00 45.46 C ATOM 188 SD MET 226 14.044 46.547 59.967 1.00 45.46 S ATOM 189 CE MET 226 12.459 45.657 59.961 1.00 45.46 C ATOM 190 C MET 226 11.938 51.353 60.126 1.00 45.46 C ATOM 191 O MET 226 12.792 52.118 59.696 1.00 45.46 O ATOM 192 N SER 227 10.648 51.456 59.763 1.00 82.18 N ATOM 193 CA SER 227 10.246 52.490 58.852 1.00 82.18 C ATOM 194 CB SER 227 8.719 52.572 58.674 1.00 82.18 C ATOM 195 OG SER 227 8.204 51.342 58.188 1.00 82.18 O ATOM 196 C SER 227 10.658 53.816 59.413 1.00 82.18 C ATOM 197 O SER 227 11.247 54.636 58.712 1.00 82.18 O ATOM 198 N HIS 228 10.353 54.063 60.700 1.00 52.79 N ATOM 199 CA HIS 228 10.650 55.335 61.294 1.00 52.79 C ATOM 200 ND1 HIS 228 7.619 56.136 62.117 1.00 52.79 N ATOM 201 CG HIS 228 8.532 55.264 62.663 1.00 52.79 C ATOM 202 CB HIS 228 10.018 55.483 62.687 1.00 52.79 C ATOM 203 NE2 HIS 228 6.456 54.413 62.909 1.00 52.79 N ATOM 204 CD2 HIS 228 7.805 54.216 63.142 1.00 52.79 C ATOM 205 CE1 HIS 228 6.392 55.579 62.291 1.00 52.79 C ATOM 206 C HIS 228 12.132 55.535 61.411 1.00 52.79 C ATOM 207 O HIS 228 12.649 56.588 61.041 1.00 52.79 O ATOM 208 N ILE 229 12.853 54.510 61.906 1.00 96.83 N ATOM 209 CA ILE 229 14.273 54.575 62.124 1.00 96.83 C ATOM 210 CB ILE 229 14.821 53.366 62.837 1.00 96.83 C ATOM 211 CG1 ILE 229 14.591 52.083 62.024 1.00 96.83 C ATOM 212 CG2 ILE 229 14.203 53.338 64.247 1.00 96.83 C ATOM 213 CD1 ILE 229 15.292 50.852 62.604 1.00 96.83 C ATOM 214 C ILE 229 14.965 54.751 60.811 1.00 96.83 C ATOM 215 O ILE 229 15.991 55.424 60.721 1.00 96.83 O ATOM 216 N ARG 230 14.396 54.158 59.751 1.00180.77 N ATOM 217 CA ARG 230 14.948 54.166 58.432 1.00180.77 C ATOM 218 CB ARG 230 15.423 55.554 57.971 1.00180.77 C ATOM 219 CG ARG 230 14.298 56.558 57.725 1.00180.77 C ATOM 220 CD ARG 230 14.785 57.816 57.002 1.00180.77 C ATOM 221 NE ARG 230 15.275 57.379 55.663 1.00180.77 N ATOM 222 CZ ARG 230 16.006 58.219 54.877 1.00180.77 C ATOM 223 NH1 ARG 230 16.310 59.475 55.324 1.00180.77 N ATOM 224 NH2 ARG 230 16.431 57.803 53.649 1.00180.77 N ATOM 225 C ARG 230 16.136 53.266 58.383 1.00180.77 C ATOM 226 O ARG 230 17.029 53.460 57.559 1.00180.77 O ATOM 227 N LYS 231 16.192 52.248 59.261 1.00 31.83 N ATOM 228 CA LYS 231 17.293 51.348 59.111 1.00 31.83 C ATOM 229 CB LYS 231 17.881 50.782 60.415 1.00 31.83 C ATOM 230 CG LYS 231 19.126 49.934 60.124 1.00 31.83 C ATOM 231 CD LYS 231 20.036 49.658 61.321 1.00 31.83 C ATOM 232 CE LYS 231 21.336 48.948 60.927 1.00 31.83 C ATOM 233 NZ LYS 231 22.284 48.946 62.063 1.00 31.83 N ATOM 234 C LYS 231 16.792 50.173 58.287 1.00 31.83 C ATOM 235 O LYS 231 15.878 49.455 58.772 1.00 31.83 O ATOM 236 OXT LYS 231 17.318 49.977 57.158 1.00 31.83 O