EXPDTA THEORETICAL MODEL, MODELLER 9.19 2017/10/25 12:12:37 REMARK 6 MODELLER OBJECTIVE FUNCTION: 67.5474 REMARK 6 MODELLER BEST TEMPLATE % SEQ ID: 36.364 REMARK 6 SEQUENCE: model REMARK 6 ALIGNMENT: alignment.pir REMARK 6 DOPE score: -1428.42554 REMARK 6 GA341 score: 0.84344 REMARK 6 Normalized DOPE score: 0.04620 REMARK 6 TEMPLATE: 1llmC01 104:C - 125:C MODELS 1: - 22: AT 36.4% ATOM 1 N PHE 66 4.591 43.625 63.318 1.00 34.85 N ATOM 2 CA PHE 66 4.414 44.118 61.934 1.00 34.85 C ATOM 3 CB PHE 66 4.848 43.043 60.924 1.00 34.85 C ATOM 4 CG PHE 66 6.310 42.835 61.141 1.00 34.85 C ATOM 5 CD1 PHE 66 6.754 42.022 62.158 1.00 34.85 C ATOM 6 CD2 PHE 66 7.240 43.454 60.335 1.00 34.85 C ATOM 7 CE1 PHE 66 8.100 41.828 62.365 1.00 34.85 C ATOM 8 CE2 PHE 66 8.589 43.265 60.537 1.00 34.85 C ATOM 9 CZ PHE 66 9.022 42.450 61.554 1.00 34.85 C ATOM 10 C PHE 66 2.985 44.474 61.707 1.00 34.85 C ATOM 11 O PHE 66 2.082 43.790 62.190 1.00 34.85 O ATOM 12 N THR 67 2.744 45.566 60.957 1.00 99.89 N ATOM 13 CA THR 67 1.395 45.997 60.767 1.00 99.89 C ATOM 14 CB THR 67 1.154 47.413 61.200 0.50 99.89 C ATOM 15 OG1 THR 67 1.914 48.308 60.401 1.00 99.89 O ATOM 16 CG2 THR 67 1.565 47.547 62.674 1.00 99.89 C ATOM 17 C THR 67 1.068 45.934 59.316 1.00 99.89 C ATOM 18 O THR 67 1.936 46.078 58.457 1.00 99.89 O ATOM 19 N CYS 68 -0.221 45.692 59.017 1.00 34.97 N ATOM 20 CA CYS 68 -0.660 45.663 57.658 1.00 34.97 C ATOM 21 CB CYS 68 -1.735 44.597 57.386 1.00 34.97 C ATOM 22 SG CYS 68 -2.197 44.492 55.631 1.00 34.97 S ATOM 23 C CYS 68 -1.245 47.014 57.381 1.00 34.97 C ATOM 24 O CYS 68 -1.895 47.613 58.234 1.00 34.97 O ATOM 25 N THR 69 -0.986 47.545 56.173 1.00102.90 N ATOM 26 CA THR 69 -1.437 48.864 55.833 1.00102.90 C ATOM 27 CB THR 69 -0.877 49.365 54.529 1.00102.90 C ATOM 28 OG1 THR 69 -1.170 50.745 54.368 1.00102.90 O ATOM 29 CG2 THR 69 -1.497 48.559 53.378 1.00102.90 C ATOM 30 C THR 69 -2.932 48.904 55.736 1.00102.90 C ATOM 31 O THR 69 -3.555 49.898 56.107 1.00102.90 O ATOM 32 N GLN 70 -3.555 47.836 55.204 1.00 97.23 N ATOM 33 CA GLN 70 -4.974 47.907 54.989 1.00 97.23 C ATOM 34 CB GLN 70 -5.508 46.598 54.383 1.00 97.23 C ATOM 35 CG GLN 70 -4.816 46.179 53.085 1.00 97.23 C ATOM 36 CD GLN 70 -5.408 46.989 51.944 1.00 97.23 C ATOM 37 OE1 GLN 70 -6.525 46.729 51.499 1.00 97.23 O ATOM 38 NE2 GLN 70 -4.641 47.999 51.452 1.00 97.23 N ATOM 39 C GLN 70 -5.704 48.062 56.295 1.00 97.23 C ATOM 40 O GLN 70 -6.385 49.059 56.528 1.00 97.23 O ATOM 41 N CYS 71 -5.564 47.057 57.182 1.00 63.30 N ATOM 42 CA CYS 71 -6.215 47.008 58.462 1.00 63.30 C ATOM 43 CB CYS 71 -6.242 45.587 59.057 1.00 63.30 C ATOM 44 SG CYS 71 -4.583 44.859 59.202 1.00 63.30 S ATOM 45 C CYS 71 -5.555 47.917 59.445 1.00 63.30 C ATOM 46 O CYS 71 -6.223 48.519 60.284 1.00 63.30 O ATOM 47 N ARG 72 -4.220 48.053 59.340 1.00158.34 N ATOM 48 CA ARG 72 -3.420 48.790 60.277 1.00158.34 C ATOM 49 CB ARG 72 -4.046 50.146 60.653 1.00158.34 C ATOM 50 CG ARG 72 -3.151 51.037 61.516 1.00158.34 C ATOM 51 CD ARG 72 -3.909 52.173 62.212 1.00158.34 C ATOM 52 NE ARG 72 -4.557 53.005 61.158 1.00158.34 N ATOM 53 CZ ARG 72 -5.686 53.720 61.444 1.00158.34 C ATOM 54 NH1 ARG 72 -6.200 53.723 62.709 1.00158.34 N ATOM 55 NH2 ARG 72 -6.318 54.422 60.459 1.00158.34 N ATOM 56 C ARG 72 -3.307 47.975 61.533 1.00158.34 C ATOM 57 O ARG 72 -2.870 48.469 62.570 1.00158.34 O ATOM 58 N LYS 73 -3.666 46.679 61.454 1.00 71.68 N ATOM 59 CA LYS 73 -3.599 45.796 62.583 1.00 71.68 C ATOM 60 CB LYS 73 -4.419 44.506 62.397 1.00 71.68 C ATOM 61 CG LYS 73 -4.589 43.675 63.669 1.00 71.68 C ATOM 62 CD LYS 73 -5.676 42.604 63.540 1.00 71.68 C ATOM 63 CE LYS 73 -5.945 41.838 64.835 1.00 71.68 C ATOM 64 NZ LYS 73 -4.750 41.058 65.222 1.00 71.68 N ATOM 65 C LYS 73 -2.168 45.402 62.755 1.00 71.68 C ATOM 66 O LYS 73 -1.384 45.448 61.808 1.00 71.68 O ATOM 67 N SER 74 -1.784 45.018 63.989 1.00 72.88 N ATOM 68 CA SER 74 -0.425 44.631 64.241 1.00 72.88 C ATOM 69 CB SER 74 0.181 45.303 65.484 1.00 72.88 C ATOM 70 OG SER 74 -0.491 44.861 66.655 1.00 72.88 O ATOM 71 C SER 74 -0.419 43.159 64.498 1.00 72.88 C ATOM 72 O SER 74 -1.390 42.606 65.012 1.00 72.88 O ATOM 73 N PHE 75 0.689 42.481 64.132 1.00 51.61 N ATOM 74 CA PHE 75 0.748 41.060 64.313 1.00 51.61 C ATOM 75 CB PHE 75 0.707 40.284 62.987 1.00 51.61 C ATOM 76 CG PHE 75 -0.641 40.524 62.400 1.00 51.61 C ATOM 77 CD1 PHE 75 -0.879 41.652 61.651 1.00 51.61 C ATOM 78 CD2 PHE 75 -1.662 39.627 62.605 1.00 51.61 C ATOM 79 CE1 PHE 75 -2.120 41.887 61.110 1.00 51.61 C ATOM 80 CE2 PHE 75 -2.904 39.858 62.067 1.00 51.61 C ATOM 81 CZ PHE 75 -3.136 40.987 61.322 1.00 51.61 C ATOM 82 C PHE 75 2.016 40.705 65.015 1.00 51.61 C ATOM 83 O PHE 75 3.015 41.419 64.930 1.00 51.61 O ATOM 84 N GLY 76 1.982 39.576 65.748 1.00 24.09 N ATOM 85 CA GLY 76 3.109 39.109 66.498 1.00 24.09 C ATOM 86 C GLY 76 4.228 38.743 65.573 1.00 24.09 C ATOM 87 O GLY 76 5.388 39.031 65.866 1.00 24.09 O ATOM 88 N ARG 77 3.926 38.082 64.435 1.00100.40 N ATOM 89 CA ARG 77 5.009 37.681 63.580 1.00100.40 C ATOM 90 CB ARG 77 5.302 36.166 63.602 1.00100.40 C ATOM 91 CG ARG 77 6.073 35.721 64.849 1.00100.40 C ATOM 92 CD ARG 77 6.663 34.310 64.756 1.00100.40 C ATOM 93 NE ARG 77 5.572 33.326 65.007 1.00100.40 N ATOM 94 CZ ARG 77 5.822 31.988 64.890 1.00100.40 C ATOM 95 NH1 ARG 77 7.039 31.550 64.450 1.00100.40 N ATOM 96 NH2 ARG 77 4.856 31.081 65.218 1.00100.40 N ATOM 97 C ARG 77 4.755 38.083 62.160 1.00100.40 C ATOM 98 O ARG 77 3.619 38.274 61.729 1.00100.40 O ATOM 99 N LYS 78 5.864 38.220 61.403 1.00 66.92 N ATOM 100 CA LYS 78 5.884 38.625 60.025 1.00 66.92 C ATOM 101 CB LYS 78 7.317 38.720 59.461 1.00 66.92 C ATOM 102 CG LYS 78 7.398 39.153 57.993 1.00 66.92 C ATOM 103 CD LYS 78 8.827 39.454 57.532 1.00 66.92 C ATOM 104 CE LYS 78 8.948 39.764 56.038 1.00 66.92 C ATOM 105 NZ LYS 78 10.365 40.025 55.694 1.00 66.92 N ATOM 106 C LYS 78 5.157 37.612 59.195 1.00 66.92 C ATOM 107 O LYS 78 4.417 37.970 58.280 1.00 66.92 O ATOM 108 N GLY 79 5.343 36.313 59.492 1.00 12.90 N ATOM 109 CA GLY 79 4.725 35.295 58.690 1.00 12.90 C ATOM 110 C GLY 79 3.242 35.440 58.774 1.00 12.90 C ATOM 111 O GLY 79 2.541 35.285 57.775 1.00 12.90 O ATOM 112 N ASN 80 2.727 35.729 59.983 1.00 32.04 N ATOM 113 CA ASN 80 1.313 35.854 60.180 1.00 32.04 C ATOM 114 CB ASN 80 0.913 36.100 61.646 1.00 32.04 C ATOM 115 CG ASN 80 1.197 34.846 62.461 1.00 32.04 C ATOM 116 OD1 ASN 80 1.817 33.900 61.979 1.00 32.04 O ATOM 117 ND2 ASN 80 0.726 34.843 63.736 1.00 32.04 N ATOM 118 C ASN 80 0.815 37.027 59.398 1.00 32.04 C ATOM 119 O ASN 80 -0.277 36.988 58.835 1.00 32.04 O ATOM 120 N LEU 81 1.606 38.115 59.351 1.00 95.12 N ATOM 121 CA LEU 81 1.171 39.302 58.676 1.00 95.12 C ATOM 122 CB LEU 81 2.205 40.446 58.754 0.50 95.12 C ATOM 123 CG LEU 81 1.707 41.836 58.287 0.50 95.12 C ATOM 124 CD1 LEU 81 1.246 41.853 56.822 0.50 95.12 C ATOM 125 CD2 LEU 81 0.644 42.393 59.241 0.50 95.12 C ATOM 126 C LEU 81 0.993 38.947 57.232 1.00 95.12 C ATOM 127 O LEU 81 0.030 39.363 56.593 1.00 95.12 O ATOM 128 N LYS 82 1.923 38.144 56.686 1.00 88.14 N ATOM 129 CA LYS 82 1.896 37.794 55.296 1.00 88.14 C ATOM 130 CB LYS 82 3.093 36.909 54.907 1.00 88.14 C ATOM 131 CG LYS 82 4.434 37.614 55.125 1.00 88.14 C ATOM 132 CD LYS 82 5.654 36.706 54.981 1.00 88.14 C ATOM 133 CE LYS 82 6.120 36.554 53.536 1.00 88.14 C ATOM 134 NZ LYS 82 6.251 37.891 52.917 1.00 88.14 N ATOM 135 C LYS 82 0.641 37.037 54.974 1.00 88.14 C ATOM 136 O LYS 82 -0.044 37.348 54.000 1.00 88.14 O ATOM 137 N ILE 83 0.294 36.028 55.795 1.00124.59 N ATOM 138 CA ILE 83 -0.869 35.222 55.552 1.00124.59 C ATOM 139 CB ILE 83 -0.973 34.053 56.502 1.00124.59 C ATOM 140 CG1 ILE 83 -1.996 33.010 56.009 1.00124.59 C ATOM 141 CG2 ILE 83 -1.265 34.598 57.910 1.00124.59 C ATOM 142 CD1 ILE 83 -3.443 33.497 55.977 1.00124.59 C ATOM 143 C ILE 83 -2.079 36.094 55.680 1.00124.59 C ATOM 144 O ILE 83 -3.026 35.986 54.901 1.00124.59 O ATOM 145 N HIS 84 -2.053 37.005 56.666 1.00 54.07 N ATOM 146 CA HIS 84 -3.154 37.874 56.964 1.00 54.07 C ATOM 147 ND1 HIS 84 -5.121 39.612 58.890 1.00 54.07 N ATOM 148 CG HIS 84 -3.898 39.872 58.319 1.00 54.07 C ATOM 149 CB HIS 84 -2.826 38.853 58.104 1.00 54.07 C ATOM 150 NE2 HIS 84 -5.107 41.774 58.367 1.00 54.07 N ATOM 151 CD2 HIS 84 -3.904 41.197 58.005 1.00 54.07 C ATOM 152 CE1 HIS 84 -5.805 40.784 58.894 1.00 54.07 C ATOM 153 C HIS 84 -3.485 38.704 55.770 1.00 54.07 C ATOM 154 O HIS 84 -4.658 38.923 55.471 1.00 54.07 O ATOM 155 N MET 85 -2.461 39.171 55.039 1.00101.69 N ATOM 156 CA MET 85 -2.680 40.069 53.946 1.00101.69 C ATOM 157 CB MET 85 -1.367 40.479 53.253 1.00101.69 C ATOM 158 CG MET 85 -1.493 41.714 52.360 1.00101.69 C ATOM 159 SD MET 85 0.058 42.207 51.554 1.00101.69 S ATOM 160 CE MET 85 -0.492 43.895 51.173 1.00101.69 C ATOM 161 C MET 85 -3.549 39.380 52.941 1.00101.69 C ATOM 162 O MET 85 -4.422 40.000 52.336 1.00101.69 O ATOM 163 N ARG 86 -3.350 38.064 52.758 1.00141.59 N ATOM 164 CA ARG 86 -4.093 37.363 51.756 1.00141.59 C ATOM 165 CB ARG 86 -3.799 35.853 51.731 1.00141.59 C ATOM 166 CG ARG 86 -4.630 35.118 50.679 1.00141.59 C ATOM 167 CD ARG 86 -4.523 33.590 50.728 1.00141.59 C ATOM 168 NE ARG 86 -3.212 33.196 50.138 1.00141.59 N ATOM 169 CZ ARG 86 -2.147 32.892 50.938 1.00141.59 C ATOM 170 NH1 ARG 86 -2.284 32.892 52.295 1.00141.59 N ATOM 171 NH2 ARG 86 -0.947 32.568 50.377 1.00141.59 N ATOM 172 C ARG 86 -5.555 37.511 52.027 1.00141.59 C ATOM 173 O ARG 86 -6.325 37.812 51.117 1.00141.59 O ATOM 174 N ILE 87 -5.993 37.321 53.285 1.00 64.68 N ATOM 175 CA ILE 87 -7.405 37.423 53.507 1.00 64.68 C ATOM 176 CB ILE 87 -7.942 36.415 54.483 1.00 64.68 C ATOM 177 CG1 ILE 87 -9.476 36.367 54.395 1.00 64.68 C ATOM 178 CG2 ILE 87 -7.412 36.756 55.885 1.00 64.68 C ATOM 179 CD1 ILE 87 -10.099 35.190 55.147 1.00 64.68 C ATOM 180 C ILE 87 -7.736 38.803 54.055 1.00 64.68 C ATOM 181 O ILE 87 -8.947 39.064 54.282 1.00 64.68 O ATOM 182 OXT ILE 87 -6.793 39.616 54.249 1.00 64.68 O