EXPDTA THEORETICAL MODEL, MODELLER 9.19 2017/10/25 12:15:10 REMARK 6 MODELLER OBJECTIVE FUNCTION: 80.9763 REMARK 6 MODELLER BEST TEMPLATE % SEQ ID: 52.381 REMARK 6 SEQUENCE: model REMARK 6 ALIGNMENT: alignment.pir REMARK 6 DOPE score: -1087.49976 REMARK 6 GA341 score: 0.94798 REMARK 6 Normalized DOPE score: -0.94605 REMARK 6 TEMPLATE: 1llmC01 101:C - 121:C MODELS 1: - 21: AT 52.4% ATOM 1 N GLU 119 -2.040 22.912 60.730 1.00 94.22 N ATOM 2 CA GLU 119 -3.410 23.449 60.908 1.00 94.22 C ATOM 3 CB GLU 119 -4.213 22.527 61.843 1.00 94.22 C ATOM 4 CG GLU 119 -4.386 21.100 61.310 1.00 94.22 C ATOM 5 CD GLU 119 -5.482 21.104 60.258 1.00 94.22 C ATOM 6 OE1 GLU 119 -5.170 21.418 59.078 1.00 94.22 O ATOM 7 OE2 GLU 119 -6.647 20.796 60.624 1.00 94.22 O ATOM 8 C GLU 119 -3.311 24.794 61.546 1.00 94.22 C ATOM 9 O GLU 119 -2.977 24.905 62.724 1.00 94.22 O ATOM 10 N LYS 120 -3.583 25.869 60.781 1.00120.50 N ATOM 11 CA LYS 120 -3.460 27.164 61.383 1.00120.50 C ATOM 12 CB LYS 120 -2.537 28.099 60.585 1.00120.50 C ATOM 13 CG LYS 120 -1.392 27.369 59.869 1.00120.50 C ATOM 14 CD LYS 120 -0.535 26.426 60.718 1.00120.50 C ATOM 15 CE LYS 120 0.451 25.618 59.864 1.00120.50 C ATOM 16 NZ LYS 120 1.196 24.647 60.698 1.00120.50 N ATOM 17 C LYS 120 -4.829 27.765 61.337 1.00120.50 C ATOM 18 O LYS 120 -5.245 28.335 60.331 1.00120.50 O ATOM 19 N PRO 121 -5.543 27.615 62.414 1.00163.16 N ATOM 20 CA PRO 121 -6.894 28.106 62.473 1.00163.16 C ATOM 21 CD PRO 121 -5.375 26.403 63.200 1.00163.16 C ATOM 22 CB PRO 121 -7.561 27.349 63.620 1.00163.16 C ATOM 23 CG PRO 121 -6.777 26.030 63.698 1.00163.16 C ATOM 24 C PRO 121 -7.099 29.587 62.572 1.00163.16 C ATOM 25 O PRO 121 -8.223 30.024 62.340 1.00163.16 O ATOM 26 N PHE 122 -6.085 30.397 62.925 1.00 59.96 N ATOM 27 CA PHE 122 -6.420 31.780 63.117 1.00 59.96 C ATOM 28 CB PHE 122 -5.923 32.317 64.472 1.00 59.96 C ATOM 29 CG PHE 122 -6.671 31.582 65.532 1.00 59.96 C ATOM 30 CD1 PHE 122 -6.305 30.305 65.893 1.00 59.96 C ATOM 31 CD2 PHE 122 -7.733 32.169 66.178 1.00 59.96 C ATOM 32 CE1 PHE 122 -6.994 29.627 66.871 1.00 59.96 C ATOM 33 CE2 PHE 122 -8.426 31.495 67.156 1.00 59.96 C ATOM 34 CZ PHE 122 -8.059 30.218 67.508 1.00 59.96 C ATOM 35 C PHE 122 -5.811 32.602 62.027 1.00 59.96 C ATOM 36 O PHE 122 -4.619 32.493 61.757 1.00 59.96 O ATOM 37 N THR 123 -6.617 33.478 61.382 1.00106.75 N ATOM 38 CA THR 123 -6.077 34.259 60.302 1.00106.75 C ATOM 39 CB THR 123 -6.808 34.108 58.999 0.50106.75 C ATOM 40 OG1 THR 123 -6.100 34.784 57.970 1.00106.75 O ATOM 41 CG2 THR 123 -8.219 34.701 59.150 1.00106.75 C ATOM 42 C THR 123 -6.093 35.719 60.641 1.00106.75 C ATOM 43 O THR 123 -6.960 36.217 61.360 1.00106.75 O ATOM 44 N CYS 124 -5.088 36.439 60.100 1.00 37.19 N ATOM 45 CA CYS 124 -4.928 37.854 60.281 1.00 37.19 C ATOM 46 CB CYS 124 -3.464 38.308 60.113 1.00 37.19 C ATOM 47 SG CYS 124 -3.236 40.098 60.324 1.00 37.19 S ATOM 48 C CYS 124 -5.740 38.530 59.223 1.00 37.19 C ATOM 49 O CYS 124 -5.674 38.171 58.048 1.00 37.19 O ATOM 50 N THR 125 -6.548 39.527 59.634 1.00112.12 N ATOM 51 CA THR 125 -7.417 40.237 58.742 1.00112.12 C ATOM 52 CB THR 125 -8.293 41.221 59.454 1.00112.12 C ATOM 53 OG1 THR 125 -7.487 42.193 60.104 1.00112.12 O ATOM 54 CG2 THR 125 -9.171 40.489 60.482 1.00112.12 C ATOM 55 C THR 125 -6.635 41.028 57.739 1.00112.12 C ATOM 56 O THR 125 -7.008 41.073 56.567 1.00112.12 O ATOM 57 N GLN 126 -5.569 41.734 58.175 1.00127.39 N ATOM 58 CA GLN 126 -4.868 42.549 57.222 1.00127.39 C ATOM 59 CB GLN 126 -3.850 43.493 57.882 1.00127.39 C ATOM 60 CG GLN 126 -3.243 44.505 56.903 1.00127.39 C ATOM 61 CD GLN 126 -4.225 45.660 56.736 1.00127.39 C ATOM 62 OE1 GLN 126 -4.783 45.875 55.661 1.00127.39 O ATOM 63 NE2 GLN 126 -4.436 46.439 57.830 1.00127.39 N ATOM 64 C GLN 126 -4.102 41.723 56.230 1.00127.39 C ATOM 65 O GLN 126 -4.333 41.816 55.025 1.00127.39 O ATOM 66 N CYS 127 -3.165 40.889 56.734 1.00 84.75 N ATOM 67 CA CYS 127 -2.316 40.066 55.915 1.00 84.75 C ATOM 68 CB CYS 127 -1.146 39.467 56.716 1.00 84.75 C ATOM 69 SG CYS 127 -0.082 38.402 55.703 1.00 84.75 S ATOM 70 C CYS 127 -3.079 38.935 55.296 1.00 84.75 C ATOM 71 O CYS 127 -2.962 38.679 54.099 1.00 84.75 O ATOM 72 N GLY 128 -3.899 38.232 56.102 1.00 24.00 N ATOM 73 CA GLY 128 -4.634 37.106 55.600 1.00 24.00 C ATOM 74 C GLY 128 -3.867 35.847 55.891 1.00 24.00 C ATOM 75 O GLY 128 -4.312 34.752 55.544 1.00 24.00 O ATOM 76 N LYS 129 -2.689 35.963 56.540 1.00 70.56 N ATOM 77 CA LYS 129 -1.912 34.792 56.847 1.00 70.56 C ATOM 78 CB LYS 129 -0.453 35.086 57.240 1.00 70.56 C ATOM 79 CG LYS 129 0.366 33.814 57.474 1.00 70.56 C ATOM 80 CD LYS 129 1.875 34.051 57.583 1.00 70.56 C ATOM 81 CE LYS 129 2.681 32.763 57.774 1.00 70.56 C ATOM 82 NZ LYS 129 2.226 32.055 58.990 1.00 70.56 N ATOM 83 C LYS 129 -2.556 34.082 57.996 1.00 70.56 C ATOM 84 O LYS 129 -3.274 34.686 58.792 1.00 70.56 O ATOM 85 N SER 130 -2.311 32.759 58.099 1.00 83.82 N ATOM 86 CA SER 130 -2.905 31.962 59.136 1.00 83.82 C ATOM 87 CB SER 130 -3.500 30.645 58.611 1.00 83.82 C ATOM 88 OG SER 130 -2.472 29.842 58.048 1.00 83.82 O ATOM 89 C SER 130 -1.847 31.614 60.140 1.00 83.82 C ATOM 90 O SER 130 -0.668 31.506 59.809 1.00 83.82 O ATOM 91 N PHE 131 -2.247 31.443 61.416 1.00 52.07 N ATOM 92 CA PHE 131 -1.288 31.147 62.439 1.00 52.07 C ATOM 93 CB PHE 131 -1.054 32.334 63.397 1.00 52.07 C ATOM 94 CG PHE 131 -0.487 33.439 62.566 1.00 52.07 C ATOM 95 CD1 PHE 131 -1.315 34.282 61.862 1.00 52.07 C ATOM 96 CD2 PHE 131 0.873 33.623 62.477 1.00 52.07 C ATOM 97 CE1 PHE 131 -0.799 35.298 61.090 1.00 52.07 C ATOM 98 CE2 PHE 131 1.397 34.636 61.709 1.00 52.07 C ATOM 99 CZ PHE 131 0.561 35.478 61.013 1.00 52.07 C ATOM 100 C PHE 131 -1.769 29.975 63.233 1.00 52.07 C ATOM 101 O PHE 131 -2.967 29.716 63.347 1.00 52.07 O ATOM 102 N SER 132 -0.805 29.222 63.788 1.00 46.90 N ATOM 103 CA SER 132 -1.072 28.052 64.566 1.00 46.90 C ATOM 104 CB SER 132 0.207 27.241 64.818 1.00 46.90 C ATOM 105 OG SER 132 1.192 28.074 65.405 1.00 46.90 O ATOM 106 C SER 132 -1.700 28.406 65.887 1.00 46.90 C ATOM 107 O SER 132 -2.474 27.613 66.424 1.00 46.90 O ATOM 108 N ARG 133 -1.398 29.591 66.463 1.00101.53 N ATOM 109 CA ARG 133 -1.974 29.865 67.757 1.00101.53 C ATOM 110 CB ARG 133 -0.962 29.962 68.914 1.00101.53 C ATOM 111 CG ARG 133 -0.018 28.769 69.035 1.00101.53 C ATOM 112 CD ARG 133 1.148 28.871 68.061 1.00101.53 C ATOM 113 NE ARG 133 1.936 27.610 68.133 1.00101.53 N ATOM 114 CZ ARG 133 3.182 27.564 67.583 1.00101.53 C ATOM 115 NH1 ARG 133 3.718 28.692 67.037 1.00101.53 N ATOM 116 NH2 ARG 133 3.891 26.397 67.570 1.00101.53 N ATOM 117 C ARG 133 -2.671 31.189 67.739 1.00101.53 C ATOM 118 O ARG 133 -2.252 32.132 67.071 1.00101.53 O ATOM 119 N SER 134 -3.767 31.279 68.520 1.00 30.25 N ATOM 120 CA SER 134 -4.581 32.459 68.603 1.00 30.25 C ATOM 121 CB SER 134 -5.841 32.252 69.462 1.00 30.25 C ATOM 122 OG SER 134 -5.479 31.994 70.812 1.00 30.25 O ATOM 123 C SER 134 -3.803 33.584 69.213 1.00 30.25 C ATOM 124 O SER 134 -3.892 34.726 68.763 1.00 30.25 O ATOM 125 N SER 135 -3.014 33.293 70.263 1.00 66.30 N ATOM 126 CA SER 135 -2.292 34.334 70.936 1.00 66.30 C ATOM 127 CB SER 135 -1.517 33.825 72.163 1.00 66.30 C ATOM 128 OG SER 135 -2.427 33.398 73.165 1.00 66.30 O ATOM 129 C SER 135 -1.314 34.927 69.979 1.00 66.30 C ATOM 130 O SER 135 -1.104 36.140 69.966 1.00 66.30 O ATOM 131 N HIS 136 -0.695 34.080 69.139 1.00 66.63 N ATOM 132 CA HIS 136 0.256 34.567 68.188 1.00 66.63 C ATOM 133 ND1 HIS 136 1.671 31.811 69.159 1.00 66.63 N ATOM 134 CG HIS 136 1.939 32.664 68.113 1.00 66.63 C ATOM 135 CB HIS 136 0.901 33.445 67.356 1.00 66.63 C ATOM 136 NE2 HIS 136 3.874 31.767 68.854 1.00 66.63 N ATOM 137 CD2 HIS 136 3.288 32.624 67.939 1.00 66.63 C ATOM 138 CE1 HIS 136 2.863 31.302 69.565 1.00 66.63 C ATOM 139 C HIS 136 -0.461 35.488 67.258 1.00 66.63 C ATOM 140 O HIS 136 0.061 36.534 66.878 1.00 66.63 O ATOM 141 N LEU 137 -1.689 35.120 66.858 1.00 37.86 N ATOM 142 CA LEU 137 -2.425 35.979 65.985 1.00 37.86 C ATOM 143 CB LEU 137 -3.783 35.407 65.547 0.50 37.86 C ATOM 144 CG LEU 137 -4.588 36.404 64.693 0.50 37.86 C ATOM 145 CD1 LEU 137 -3.885 36.705 63.360 0.50 37.86 C ATOM 146 CD2 LEU 137 -6.046 35.955 64.526 0.50 37.86 C ATOM 147 C LEU 137 -2.698 37.259 66.707 1.00 37.86 C ATOM 148 O LEU 137 -2.606 38.338 66.124 1.00 37.86 O ATOM 149 N ASN 138 -3.021 37.166 68.012 1.00 64.49 N ATOM 150 CA ASN 138 -3.396 38.323 68.776 1.00 64.49 C ATOM 151 CB ASN 138 -3.708 37.970 70.244 1.00 64.49 C ATOM 152 CG ASN 138 -4.378 39.152 70.938 1.00 64.49 C ATOM 153 OD1 ASN 138 -3.774 40.206 71.133 1.00 64.49 O ATOM 154 ND2 ASN 138 -5.669 38.972 71.328 1.00 64.49 N ATOM 155 C ASN 138 -2.266 39.299 68.763 1.00 64.49 C ATOM 156 O ASN 138 -2.469 40.485 68.506 1.00 64.49 O ATOM 157 N GLU 139 -1.032 38.827 69.017 1.00 50.03 N ATOM 158 CA GLU 139 0.068 39.743 69.010 1.00 50.03 C ATOM 159 CB GLU 139 1.217 39.314 69.939 1.00 50.03 C ATOM 160 CG GLU 139 0.879 39.446 71.426 1.00 50.03 C ATOM 161 CD GLU 139 0.794 40.932 71.748 1.00 50.03 C ATOM 162 OE1 GLU 139 1.684 41.688 71.275 1.00 50.03 O ATOM 163 OE2 GLU 139 -0.161 41.331 72.466 1.00 50.03 O ATOM 164 C GLU 139 0.615 39.794 67.588 1.00 50.03 C ATOM 165 O GLU 139 1.857 39.662 67.425 1.00 50.03 O ATOM 166 OXT GLU 139 -0.202 39.962 66.642 1.00 50.03 O