EXPDTA THEORETICAL MODEL, MODELLER 9.19 2017/10/25 12:16:31 REMARK 6 MODELLER OBJECTIVE FUNCTION: 87.5947 REMARK 6 MODELLER BEST TEMPLATE % SEQ ID: 52.174 REMARK 6 SEQUENCE: model REMARK 6 ALIGNMENT: alignment.pir REMARK 6 DOPE score: -1436.60217 REMARK 6 GA341 score: 0.99977 REMARK 6 Normalized DOPE score: -1.15728 REMARK 6 TEMPLATE: 1llmC01 101:C - 123:C MODELS 1: - 23: AT 52.2% ATOM 1 N GLU 198 -9.204 53.454 67.687 1.00 54.51 N ATOM 2 CA GLU 198 -8.556 54.402 66.748 1.00 54.51 C ATOM 3 CB GLU 198 -9.186 55.798 66.861 1.00 54.51 C ATOM 4 CG GLU 198 -10.654 55.871 66.448 1.00 54.51 C ATOM 5 CD GLU 198 -11.054 57.337 66.531 1.00 54.51 C ATOM 6 OE1 GLU 198 -11.335 57.820 67.664 1.00 54.51 O ATOM 7 OE2 GLU 198 -11.062 57.999 65.461 1.00 54.51 O ATOM 8 C GLU 198 -7.110 54.552 67.084 1.00 54.51 C ATOM 9 O GLU 198 -6.565 53.786 67.877 1.00 54.51 O ATOM 10 N LYS 199 -6.445 55.547 66.463 1.00162.11 N ATOM 11 CA LYS 199 -5.061 55.782 66.759 1.00162.11 C ATOM 12 CB LYS 199 -4.160 55.781 65.508 1.00162.11 C ATOM 13 CG LYS 199 -4.646 56.695 64.379 1.00162.11 C ATOM 14 CD LYS 199 -5.971 56.268 63.744 1.00162.11 C ATOM 15 CE LYS 199 -6.387 57.127 62.546 1.00162.11 C ATOM 16 NZ LYS 199 -5.466 56.900 61.408 1.00162.11 N ATOM 17 C LYS 199 -4.973 57.134 67.394 1.00162.11 C ATOM 18 O LYS 199 -4.982 58.162 66.722 1.00162.11 O ATOM 19 N PRO 200 -4.929 57.146 68.695 1.00 83.50 N ATOM 20 CA PRO 200 -4.847 58.374 69.442 1.00 83.50 C ATOM 21 CD PRO 200 -5.514 56.071 69.476 1.00 83.50 C ATOM 22 CB PRO 200 -5.356 58.051 70.849 1.00 83.50 C ATOM 23 CG PRO 200 -5.321 56.515 70.932 1.00 83.50 C ATOM 24 C PRO 200 -3.524 59.070 69.461 1.00 83.50 C ATOM 25 O PRO 200 -3.502 60.259 69.776 1.00 83.50 O ATOM 26 N PHE 201 -2.404 58.390 69.161 1.00 71.43 N ATOM 27 CA PHE 201 -1.179 59.116 69.331 1.00 71.43 C ATOM 28 CB PHE 201 -0.173 58.443 70.279 1.00 71.43 C ATOM 29 CG PHE 201 -0.707 58.664 71.654 1.00 71.43 C ATOM 30 CD1 PHE 201 -1.700 57.863 72.166 1.00 71.43 C ATOM 31 CD2 PHE 201 -0.207 59.684 72.433 1.00 71.43 C ATOM 32 CE1 PHE 201 -2.184 58.084 73.434 1.00 71.43 C ATOM 33 CE2 PHE 201 -0.686 59.911 73.701 1.00 71.43 C ATOM 34 CZ PHE 201 -1.680 59.106 74.204 1.00 71.43 C ATOM 35 C PHE 201 -0.532 59.367 68.014 1.00 71.43 C ATOM 36 O PHE 201 -0.318 58.457 67.219 1.00 71.43 O ATOM 37 N THR 202 -0.172 60.646 67.778 1.00104.13 N ATOM 38 CA THR 202 0.368 61.038 66.512 1.00104.13 C ATOM 39 CB THR 202 -0.374 62.186 65.892 0.50104.13 C ATOM 40 OG1 THR 202 0.134 62.463 64.595 1.00104.13 O ATOM 41 CG2 THR 202 -0.205 63.414 66.802 1.00104.13 C ATOM 42 C THR 202 1.779 61.497 66.675 1.00104.13 C ATOM 43 O THR 202 2.145 62.132 67.664 1.00104.13 O ATOM 44 N CYS 203 2.608 61.168 65.667 1.00 38.85 N ATOM 45 CA CYS 203 3.970 61.604 65.631 1.00 38.85 C ATOM 46 CB CYS 203 4.891 60.614 64.903 1.00 38.85 C ATOM 47 SG CYS 203 6.606 61.198 64.760 1.00 38.85 S ATOM 48 C CYS 203 3.965 62.884 64.858 1.00 38.85 C ATOM 49 O CYS 203 3.409 62.958 63.764 1.00 38.85 O ATOM 50 N THR 204 4.580 63.939 65.423 1.00107.10 N ATOM 51 CA THR 204 4.574 65.244 64.824 1.00107.10 C ATOM 52 CB THR 204 5.196 66.293 65.700 1.00107.10 C ATOM 53 OG1 THR 204 5.028 67.577 65.117 1.00107.10 O ATOM 54 CG2 THR 204 6.690 65.982 65.878 1.00107.10 C ATOM 55 C THR 204 5.322 65.259 63.526 1.00107.10 C ATOM 56 O THR 204 4.927 65.956 62.589 1.00107.10 O ATOM 57 N GLN 205 6.460 64.538 63.461 1.00 72.88 N ATOM 58 CA GLN 205 7.269 64.600 62.278 1.00 72.88 C ATOM 59 CB GLN 205 8.617 63.894 62.492 1.00 72.88 C ATOM 60 CG GLN 205 9.452 64.560 63.588 1.00 72.88 C ATOM 61 CD GLN 205 10.610 63.641 63.943 1.00 72.88 C ATOM 62 OE1 GLN 205 10.763 62.564 63.368 1.00 72.88 O ATOM 63 NE2 GLN 205 11.443 64.070 64.929 1.00 72.88 N ATOM 64 C GLN 205 6.601 63.961 61.092 1.00 72.88 C ATOM 65 O GLN 205 6.352 64.626 60.086 1.00 72.88 O ATOM 66 N CYS 206 6.306 62.647 61.182 1.00 54.33 N ATOM 67 CA CYS 206 5.697 61.916 60.100 1.00 54.33 C ATOM 68 CB CYS 206 5.909 60.393 60.191 1.00 54.33 C ATOM 69 SG CYS 206 5.223 59.648 61.699 1.00 54.33 S ATOM 70 C CYS 206 4.231 62.190 60.012 1.00 54.33 C ATOM 71 O CYS 206 3.669 62.269 58.921 1.00 54.33 O ATOM 72 N GLY 207 3.568 62.325 61.175 1.00 23.38 N ATOM 73 CA GLY 207 2.155 62.567 61.194 1.00 23.38 C ATOM 74 C GLY 207 1.435 61.252 61.271 1.00 23.38 C ATOM 75 O GLY 207 0.207 61.217 61.228 1.00 23.38 O ATOM 76 N ARG 208 2.175 60.132 61.393 1.00 51.74 N ATOM 77 CA ARG 208 1.534 58.850 61.460 1.00 51.74 C ATOM 78 CB ARG 208 2.504 57.665 61.312 1.00 51.74 C ATOM 79 CG ARG 208 1.781 56.320 61.214 1.00 51.74 C ATOM 80 CD ARG 208 2.700 55.097 61.201 1.00 51.74 C ATOM 81 NE ARG 208 1.859 53.934 60.799 1.00 51.74 N ATOM 82 CZ ARG 208 1.079 53.294 61.719 1.00 51.74 C ATOM 83 NH1 ARG 208 1.086 53.700 63.020 1.00 51.74 N ATOM 84 NH2 ARG 208 0.284 52.251 61.334 1.00 51.74 N ATOM 85 C ARG 208 0.906 58.733 62.806 1.00 51.74 C ATOM 86 O ARG 208 1.401 59.309 63.774 1.00 51.74 O ATOM 87 N SER 209 -0.217 57.995 62.912 1.00 85.47 N ATOM 88 CA SER 209 -0.798 57.884 64.217 1.00 85.47 C ATOM 89 CB SER 209 -2.240 58.390 64.300 1.00 85.47 C ATOM 90 OG SER 209 -2.660 58.339 65.652 1.00 85.47 O ATOM 91 C SER 209 -0.734 56.448 64.634 1.00 85.47 C ATOM 92 O SER 209 -0.672 55.550 63.795 1.00 85.47 O ATOM 93 N PHE 210 -0.726 56.198 65.960 1.00 63.07 N ATOM 94 CA PHE 210 -0.550 54.863 66.456 1.00 63.07 C ATOM 95 CB PHE 210 0.783 54.667 67.205 1.00 63.07 C ATOM 96 CG PHE 210 1.906 54.968 66.272 1.00 63.07 C ATOM 97 CD1 PHE 210 2.339 56.265 66.113 1.00 63.07 C ATOM 98 CD2 PHE 210 2.525 53.968 65.559 1.00 63.07 C ATOM 99 CE1 PHE 210 3.372 56.571 65.260 1.00 63.07 C ATOM 100 CE2 PHE 210 3.559 54.270 64.704 1.00 63.07 C ATOM 101 CZ PHE 210 3.986 55.568 64.553 1.00 63.07 C ATOM 102 C PHE 210 -1.620 54.565 67.453 1.00 63.07 C ATOM 103 O PHE 210 -2.147 55.458 68.115 1.00 63.07 O ATOM 104 N SER 211 -1.972 53.269 67.555 1.00 38.12 N ATOM 105 CA SER 211 -2.958 52.783 68.470 1.00 38.12 C ATOM 106 CB SER 211 -3.374 51.336 68.163 1.00 38.12 C ATOM 107 OG SER 211 -2.257 50.471 68.312 1.00 38.12 O ATOM 108 C SER 211 -2.422 52.817 69.871 1.00 38.12 C ATOM 109 O SER 211 -3.196 52.928 70.823 1.00 38.12 O ATOM 110 N GLN 212 -1.086 52.713 70.045 1.00 80.36 N ATOM 111 CA GLN 212 -0.556 52.653 71.381 1.00 80.36 C ATOM 112 CB GLN 212 0.036 51.272 71.712 1.00 80.36 C ATOM 113 CG GLN 212 0.532 51.133 73.151 1.00 80.36 C ATOM 114 CD GLN 212 1.063 49.718 73.312 1.00 80.36 C ATOM 115 OE1 GLN 212 0.417 48.753 72.905 1.00 80.36 O ATOM 116 NE2 GLN 212 2.277 49.588 73.910 1.00 80.36 N ATOM 117 C GLN 212 0.526 53.685 71.551 1.00 80.36 C ATOM 118 O GLN 212 1.331 53.933 70.654 1.00 80.36 O ATOM 119 N SER 213 0.555 54.315 72.744 1.00 38.32 N ATOM 120 CA SER 213 1.486 55.365 73.060 1.00 38.32 C ATOM 121 CB SER 213 1.187 56.063 74.399 1.00 38.32 C ATOM 122 OG SER 213 1.420 55.179 75.484 1.00 38.32 O ATOM 123 C SER 213 2.891 54.841 73.127 1.00 38.32 C ATOM 124 O SER 213 3.824 55.525 72.712 1.00 38.32 O ATOM 125 N SER 214 3.088 53.615 73.655 1.00 70.76 N ATOM 126 CA SER 214 4.419 53.083 73.783 1.00 70.76 C ATOM 127 CB SER 214 4.461 51.717 74.491 1.00 70.76 C ATOM 128 OG SER 214 4.133 51.873 75.864 1.00 70.76 O ATOM 129 C SER 214 5.010 52.915 72.420 1.00 70.76 C ATOM 130 O SER 214 6.196 53.169 72.215 1.00 70.76 O ATOM 131 N HIS 215 4.185 52.478 71.450 1.00 44.16 N ATOM 132 CA HIS 215 4.637 52.289 70.105 1.00 44.16 C ATOM 133 ND1 HIS 215 4.388 49.167 69.107 1.00 44.16 N ATOM 134 CG HIS 215 3.495 50.112 69.557 1.00 44.16 C ATOM 135 CB HIS 215 3.600 51.572 69.223 1.00 44.16 C ATOM 136 NE2 HIS 215 2.884 48.080 70.330 1.00 44.16 N ATOM 137 CD2 HIS 215 2.582 49.431 70.305 1.00 44.16 C ATOM 138 CE1 HIS 215 3.977 47.970 69.597 1.00 44.16 C ATOM 139 C HIS 215 4.973 53.626 69.524 1.00 44.16 C ATOM 140 O HIS 215 5.883 53.752 68.706 1.00 44.16 O ATOM 141 N LEU 216 4.225 54.666 69.934 1.00105.59 N ATOM 142 CA LEU 216 4.447 56.003 69.464 1.00105.59 C ATOM 143 CB LEU 216 3.475 56.993 70.138 0.50105.59 C ATOM 144 CG LEU 216 3.416 58.405 69.519 0.50105.59 C ATOM 145 CD1 LEU 216 4.776 59.116 69.503 0.50105.59 C ATOM 146 CD2 LEU 216 2.751 58.368 68.138 0.50105.59 C ATOM 147 C LEU 216 5.826 56.397 69.904 1.00105.59 C ATOM 148 O LEU 216 6.613 56.944 69.127 1.00105.59 O ATOM 149 N ASN 217 6.161 56.094 71.171 1.00 73.44 N ATOM 150 CA ASN 217 7.412 56.509 71.740 1.00 73.44 C ATOM 151 CB ASN 217 7.549 56.112 73.219 1.00 73.44 C ATOM 152 CG ASN 217 8.812 56.764 73.764 1.00 73.44 C ATOM 153 OD1 ASN 217 9.832 56.108 73.970 1.00 73.44 O ATOM 154 ND2 ASN 217 8.745 58.104 73.990 1.00 73.44 N ATOM 155 C ASN 217 8.553 55.886 71.005 1.00 73.44 C ATOM 156 O ASN 217 9.509 56.568 70.635 1.00 73.44 O ATOM 157 N GLN 218 8.480 54.568 70.746 1.00 63.38 N ATOM 158 CA GLN 218 9.589 53.944 70.088 1.00 63.38 C ATOM 159 CB GLN 218 9.407 52.431 69.866 1.00 63.38 C ATOM 160 CG GLN 218 10.599 51.776 69.160 1.00 63.38 C ATOM 161 CD GLN 218 10.312 50.290 69.014 1.00 63.38 C ATOM 162 OE1 GLN 218 9.983 49.616 69.988 1.00 63.38 O ATOM 163 NE2 GLN 218 10.446 49.760 67.768 1.00 63.38 N ATOM 164 C GLN 218 9.729 54.568 68.744 1.00 63.38 C ATOM 165 O GLN 218 10.834 54.871 68.297 1.00 63.38 O ATOM 166 N HIS 219 8.589 54.796 68.073 1.00 41.49 N ATOM 167 CA HIS 219 8.627 55.337 66.753 1.00 41.49 C ATOM 168 ND1 HIS 219 7.491 55.295 63.665 1.00 41.49 N ATOM 169 CG HIS 219 7.171 56.036 64.779 1.00 41.49 C ATOM 170 CB HIS 219 7.211 55.522 66.183 1.00 41.49 C ATOM 171 NE2 HIS 219 6.901 57.312 62.940 1.00 41.49 N ATOM 172 CD2 HIS 219 6.813 57.267 64.317 1.00 41.49 C ATOM 173 CE1 HIS 219 7.313 56.105 62.591 1.00 41.49 C ATOM 174 C HIS 219 9.295 56.672 66.830 1.00 41.49 C ATOM 175 O HIS 219 10.194 56.970 66.045 1.00 41.49 O ATOM 176 N MET 220 8.878 57.502 67.804 1.00 82.66 N ATOM 177 CA MET 220 9.457 58.800 68.003 1.00 82.66 C ATOM 178 CB MET 220 8.769 59.581 69.137 1.00 82.66 C ATOM 179 CG MET 220 7.445 60.221 68.721 1.00 82.66 C ATOM 180 SD MET 220 7.634 61.888 68.020 1.00 82.66 S ATOM 181 CE MET 220 8.894 61.447 66.790 1.00 82.66 C ATOM 182 C MET 220 10.911 58.614 68.396 1.00 82.66 C ATOM 183 O MET 220 11.664 59.621 68.295 1.00 82.66 O ATOM 184 OXT MET 220 11.285 57.483 68.804 1.00 82.66 O