EXPDTA THEORETICAL MODEL, MODELLER 9.19 2017/10/25 12:18:01 REMARK 6 MODELLER OBJECTIVE FUNCTION: 80.6146 REMARK 6 MODELLER BEST TEMPLATE % SEQ ID: 36.364 REMARK 6 SEQUENCE: model REMARK 6 ALIGNMENT: alignment.pir REMARK 6 DOPE score: -1528.45825 REMARK 6 GA341 score: 0.98258 REMARK 6 Normalized DOPE score: 0.17328 REMARK 6 TEMPLATE: 1llmC01 104:C - 125:C MODELS 1: - 22: AT 36.4% ATOM 1 N PHE 66 -10.131 48.469 65.024 1.00 95.83 N ATOM 2 CA PHE 66 -9.341 47.293 64.600 1.00 95.83 C ATOM 3 CB PHE 66 -9.354 47.184 63.068 1.00 95.83 C ATOM 4 CG PHE 66 -10.779 46.912 62.715 1.00 95.83 C ATOM 5 CD1 PHE 66 -11.254 45.623 62.705 1.00 95.83 C ATOM 6 CD2 PHE 66 -11.654 47.935 62.432 1.00 95.83 C ATOM 7 CE1 PHE 66 -12.566 45.355 62.385 1.00 95.83 C ATOM 8 CE2 PHE 66 -12.967 47.670 62.110 1.00 95.83 C ATOM 9 CZ PHE 66 -13.433 46.378 62.090 1.00 95.83 C ATOM 10 C PHE 66 -7.953 47.430 65.126 1.00 95.83 C ATOM 11 O PHE 66 -7.281 48.437 64.906 1.00 95.83 O ATOM 12 N ILE 67 -7.482 46.389 65.833 1.00134.21 N ATOM 13 CA ILE 67 -6.246 46.520 66.541 1.00134.21 C ATOM 14 CB ILE 67 -6.430 46.136 67.987 0.50134.21 C ATOM 15 CG1 ILE 67 -5.402 46.811 68.913 1.00134.21 C ATOM 16 CG2 ILE 67 -6.433 44.600 68.063 1.00134.21 C ATOM 17 CD1 ILE 67 -3.956 46.394 68.672 1.00134.21 C ATOM 18 C ILE 67 -5.235 45.622 65.898 1.00134.21 C ATOM 19 O ILE 67 -5.557 44.517 65.462 1.00134.21 O ATOM 20 N CYS 68 -3.973 46.100 65.811 1.00 42.22 N ATOM 21 CA CYS 68 -2.915 45.351 65.187 1.00 42.22 C ATOM 22 CB CYS 68 -1.896 46.219 64.431 1.00 42.22 C ATOM 23 SG CYS 68 -0.565 45.231 63.682 1.00 42.22 S ATOM 24 C CYS 68 -2.161 44.617 66.247 1.00 42.22 C ATOM 25 O CYS 68 -1.896 45.139 67.328 1.00 42.22 O ATOM 26 N THR 69 -1.814 43.353 65.957 1.00113.50 N ATOM 27 CA THR 69 -1.148 42.534 66.923 1.00113.50 C ATOM 28 CB THR 69 -1.028 41.105 66.485 1.00113.50 C ATOM 29 OG1 THR 69 -0.237 41.028 65.309 1.00113.50 O ATOM 30 CG2 THR 69 -2.431 40.532 66.219 1.00113.50 C ATOM 31 C THR 69 0.239 43.024 67.223 1.00113.50 C ATOM 32 O THR 69 0.606 43.130 68.392 1.00113.50 O ATOM 33 N GLN 70 1.060 43.317 66.192 1.00111.60 N ATOM 34 CA GLN 70 2.423 43.646 66.511 1.00111.60 C ATOM 35 CB GLN 70 3.348 43.630 65.283 1.00111.60 C ATOM 36 CG GLN 70 3.052 44.676 64.206 1.00111.60 C ATOM 37 CD GLN 70 3.985 44.344 63.048 1.00111.60 C ATOM 38 OE1 GLN 70 3.758 43.380 62.321 1.00111.60 O ATOM 39 NE2 GLN 70 5.076 45.136 62.880 1.00111.60 N ATOM 40 C GLN 70 2.561 44.974 67.191 1.00111.60 C ATOM 41 O GLN 70 3.146 45.061 68.270 1.00111.60 O ATOM 42 N CYS 71 2.029 46.048 66.575 1.00 49.75 N ATOM 43 CA CYS 71 2.133 47.363 67.149 1.00 49.75 C ATOM 44 CB CYS 71 1.804 48.481 66.141 1.00 49.75 C ATOM 45 SG CYS 71 0.173 48.301 65.364 1.00 49.75 S ATOM 46 C CYS 71 1.238 47.478 68.348 1.00 49.75 C ATOM 47 O CYS 71 1.606 48.080 69.355 1.00 49.75 O ATOM 48 N GLY 72 0.029 46.889 68.288 1.00 23.67 N ATOM 49 CA GLY 72 -0.862 46.962 69.411 1.00 23.67 C ATOM 50 C GLY 72 -1.702 48.196 69.292 1.00 23.67 C ATOM 51 O GLY 72 -2.433 48.548 70.217 1.00 23.67 O ATOM 52 N LYS 73 -1.616 48.901 68.151 1.00149.80 N ATOM 53 CA LYS 73 -2.417 50.075 68.006 1.00149.80 C ATOM 54 CB LYS 73 -1.923 51.084 66.958 1.00149.80 C ATOM 55 CG LYS 73 -0.808 51.993 67.452 1.00149.80 C ATOM 56 CD LYS 73 -0.220 52.885 66.358 1.00149.80 C ATOM 57 CE LYS 73 -1.262 53.730 65.608 1.00149.80 C ATOM 58 NZ LYS 73 -1.651 54.918 66.402 1.00149.80 N ATOM 59 C LYS 73 -3.789 49.686 67.572 1.00149.80 C ATOM 60 O LYS 73 -3.998 48.633 66.968 1.00149.80 O ATOM 61 N SER 74 -4.758 50.559 67.899 1.00 93.76 N ATOM 62 CA SER 74 -6.126 50.411 67.511 1.00 93.76 C ATOM 63 CB SER 74 -7.106 50.780 68.644 1.00 93.76 C ATOM 64 OG SER 74 -6.897 52.120 69.064 1.00 93.76 O ATOM 65 C SER 74 -6.329 51.394 66.397 1.00 93.76 C ATOM 66 O SER 74 -5.740 52.475 66.405 1.00 93.76 O ATOM 67 N PHE 75 -7.150 51.048 65.385 1.00137.57 N ATOM 68 CA PHE 75 -7.308 51.949 64.274 1.00137.57 C ATOM 69 CB PHE 75 -6.708 51.399 62.973 1.00137.57 C ATOM 70 CG PHE 75 -5.231 51.376 63.152 1.00137.57 C ATOM 71 CD1 PHE 75 -4.504 52.497 62.831 1.00137.57 C ATOM 72 CD2 PHE 75 -4.574 50.272 63.645 1.00137.57 C ATOM 73 CE1 PHE 75 -3.141 52.519 62.983 1.00137.57 C ATOM 74 CE2 PHE 75 -3.204 50.291 63.797 1.00137.57 C ATOM 75 CZ PHE 75 -2.484 51.411 63.459 1.00137.57 C ATOM 76 C PHE 75 -8.765 52.188 64.048 1.00137.57 C ATOM 77 O PHE 75 -9.601 51.349 64.373 1.00137.57 O ATOM 78 N GLY 76 -9.100 53.369 63.492 1.00 25.53 N ATOM 79 CA GLY 76 -10.457 53.765 63.253 1.00 25.53 C ATOM 80 C GLY 76 -11.095 52.859 62.238 1.00 25.53 C ATOM 81 O GLY 76 -12.287 52.564 62.328 1.00 25.53 O ATOM 82 N ARG 77 -10.323 52.407 61.224 1.00 56.10 N ATOM 83 CA ARG 77 -10.909 51.647 60.151 1.00 56.10 C ATOM 84 CB ARG 77 -10.936 52.469 58.860 1.00 56.10 C ATOM 85 CG ARG 77 -11.932 53.622 58.953 1.00 56.10 C ATOM 86 CD ARG 77 -11.666 54.754 57.965 1.00 56.10 C ATOM 87 NE ARG 77 -12.727 55.775 58.175 1.00 56.10 N ATOM 88 CZ ARG 77 -13.802 55.780 57.338 1.00 56.10 C ATOM 89 NH1 ARG 77 -13.824 54.928 56.274 1.00 56.10 N ATOM 90 NH2 ARG 77 -14.842 56.636 57.558 1.00 56.10 N ATOM 91 C ARG 77 -10.132 50.386 59.882 1.00 56.10 C ATOM 92 O ARG 77 -8.906 50.354 59.981 1.00 56.10 O ATOM 93 N LYS 78 -10.856 49.306 59.506 1.00109.11 N ATOM 94 CA LYS 78 -10.240 48.031 59.263 1.00109.11 C ATOM 95 CB LYS 78 -11.229 46.882 58.952 1.00109.11 C ATOM 96 CG LYS 78 -10.554 45.500 58.995 1.00109.11 C ATOM 97 CD LYS 78 -11.473 44.298 58.728 1.00109.11 C ATOM 98 CE LYS 78 -12.810 44.328 59.476 1.00109.11 C ATOM 99 NZ LYS 78 -13.648 43.177 59.064 1.00109.11 N ATOM 100 C LYS 78 -9.326 48.132 58.092 1.00109.11 C ATOM 101 O LYS 78 -8.225 47.586 58.112 1.00109.11 O ATOM 102 N ASP 79 -9.755 48.846 57.037 1.00 56.88 N ATOM 103 CA ASP 79 -8.957 48.925 55.850 1.00 56.88 C ATOM 104 CB ASP 79 -9.676 49.637 54.679 1.00 56.88 C ATOM 105 CG ASP 79 -10.163 51.013 55.105 1.00 56.88 C ATOM 106 OD1 ASP 79 -11.014 51.083 56.033 1.00 56.88 O ATOM 107 OD2 ASP 79 -9.712 52.007 54.474 1.00 56.88 O ATOM 108 C ASP 79 -7.649 49.581 56.162 1.00 56.88 C ATOM 109 O ASP 79 -6.615 49.164 55.639 1.00 56.88 O ATOM 110 N ASN 80 -7.652 50.618 57.022 1.00 37.92 N ATOM 111 CA ASN 80 -6.428 51.285 57.368 1.00 37.92 C ATOM 112 CB ASN 80 -6.620 52.573 58.179 1.00 37.92 C ATOM 113 CG ASN 80 -6.962 53.694 57.204 1.00 37.92 C ATOM 114 OD1 ASN 80 -6.409 53.782 56.107 1.00 37.92 O ATOM 115 ND2 ASN 80 -7.899 54.585 57.624 1.00 37.92 N ATOM 116 C ASN 80 -5.565 50.348 58.144 1.00 37.92 C ATOM 117 O ASN 80 -4.339 50.391 58.052 1.00 37.92 O ATOM 118 N LEU 81 -6.189 49.475 58.952 1.00 53.98 N ATOM 119 CA LEU 81 -5.423 48.526 59.707 1.00 53.98 C ATOM 120 CB LEU 81 -6.292 47.591 60.566 0.50 53.98 C ATOM 121 CG LEU 81 -5.484 46.465 61.243 0.50 53.98 C ATOM 122 CD1 LEU 81 -4.648 46.989 62.418 0.50 53.98 C ATOM 123 CD2 LEU 81 -6.359 45.252 61.584 0.50 53.98 C ATOM 124 C LEU 81 -4.691 47.639 58.757 1.00 53.98 C ATOM 125 O LEU 81 -3.513 47.354 58.962 1.00 53.98 O ATOM 126 N LYS 82 -5.370 47.190 57.689 1.00 70.82 N ATOM 127 CA LYS 82 -4.773 46.237 56.806 1.00 70.82 C ATOM 128 CB LYS 82 -5.738 45.816 55.684 1.00 70.82 C ATOM 129 CG LYS 82 -5.198 44.691 54.805 1.00 70.82 C ATOM 130 CD LYS 82 -6.269 44.028 53.944 1.00 70.82 C ATOM 131 CE LYS 82 -5.714 42.969 52.994 1.00 70.82 C ATOM 132 NZ LYS 82 -6.832 42.251 52.344 1.00 70.82 N ATOM 133 C LYS 82 -3.535 46.803 56.189 1.00 70.82 C ATOM 134 O LYS 82 -2.486 46.163 56.224 1.00 70.82 O ATOM 135 N ILE 83 -3.611 48.032 55.639 1.00 91.58 N ATOM 136 CA ILE 83 -2.462 48.626 55.007 1.00 91.58 C ATOM 137 CB ILE 83 -2.741 49.926 54.285 1.00 91.58 C ATOM 138 CG1 ILE 83 -3.248 51.032 55.230 1.00 91.58 C ATOM 139 CG2 ILE 83 -3.713 49.618 53.132 1.00 91.58 C ATOM 140 CD1 ILE 83 -3.276 52.396 54.549 1.00 91.58 C ATOM 141 C ILE 83 -1.410 48.878 56.037 1.00 91.58 C ATOM 142 O ILE 83 -0.221 48.668 55.797 1.00 91.58 O ATOM 143 N HIS 84 -1.823 49.316 57.238 1.00 61.40 N ATOM 144 CA HIS 84 -0.869 49.661 58.253 1.00 61.40 C ATOM 145 ND1 HIS 84 -0.021 51.505 61.039 1.00 61.40 N ATOM 146 CG HIS 84 -0.580 50.293 60.707 1.00 61.40 C ATOM 147 CB HIS 84 -1.548 50.060 59.580 1.00 61.40 C ATOM 148 NE2 HIS 84 0.801 50.016 62.473 1.00 61.40 N ATOM 149 CD2 HIS 84 -0.068 49.394 61.597 1.00 61.40 C ATOM 150 CE1 HIS 84 0.797 51.284 62.102 1.00 61.40 C ATOM 151 C HIS 84 0.037 48.503 58.548 1.00 61.40 C ATOM 152 O HIS 84 1.255 48.666 58.598 1.00 61.40 O ATOM 153 N MET 85 -0.518 47.296 58.750 1.00 75.51 N ATOM 154 CA MET 85 0.283 46.155 59.116 1.00 75.51 C ATOM 155 CB MET 85 -0.564 44.928 59.501 1.00 75.51 C ATOM 156 CG MET 85 -1.438 45.193 60.731 1.00 75.51 C ATOM 157 SD MET 85 -2.617 43.883 61.176 1.00 75.51 S ATOM 158 CE MET 85 -3.607 44.048 59.661 1.00 75.51 C ATOM 159 C MET 85 1.231 45.768 58.013 1.00 75.51 C ATOM 160 O MET 85 2.375 45.395 58.278 1.00 75.51 O ATOM 161 N LYS 86 0.794 45.850 56.741 1.00 81.13 N ATOM 162 CA LYS 86 1.649 45.404 55.676 1.00 81.13 C ATOM 163 CB LYS 86 1.024 45.616 54.287 1.00 81.13 C ATOM 164 CG LYS 86 -0.268 44.828 54.045 1.00 81.13 C ATOM 165 CD LYS 86 -0.116 43.305 54.079 1.00 81.13 C ATOM 166 CE LYS 86 -1.427 42.555 53.823 1.00 81.13 C ATOM 167 NZ LYS 86 -1.136 41.126 53.573 1.00 81.13 N ATOM 168 C LYS 86 2.915 46.204 55.714 1.00 81.13 C ATOM 169 O LYS 86 4.008 45.645 55.628 1.00 81.13 O ATOM 170 N ILE 87 2.797 47.539 55.863 1.00105.88 N ATOM 171 CA ILE 87 3.940 48.406 55.898 1.00105.88 C ATOM 172 CB ILE 87 3.631 49.787 55.393 1.00105.88 C ATOM 173 CG1 ILE 87 4.934 50.569 55.186 1.00105.88 C ATOM 174 CG2 ILE 87 2.647 50.454 56.367 1.00105.88 C ATOM 175 CD1 ILE 87 5.822 49.958 54.103 1.00105.88 C ATOM 176 C ILE 87 4.410 48.527 57.340 1.00105.88 C ATOM 177 O ILE 87 5.486 49.143 57.580 1.00105.88 O ATOM 178 OXT ILE 87 3.691 47.996 58.224 1.00105.88 O