EXPDTA THEORETICAL MODEL, MODELLER 9.19 2017/10/25 12:19:27 REMARK 6 MODELLER OBJECTIVE FUNCTION: 91.1934 REMARK 6 MODELLER BEST TEMPLATE % SEQ ID: 42.857 REMARK 6 SEQUENCE: model REMARK 6 ALIGNMENT: alignment.pir REMARK 6 DOPE score: -1434.74292 REMARK 6 GA341 score: 0.71108 REMARK 6 Normalized DOPE score: -0.36799 REMARK 6 TEMPLATE: 1llmC01 104:C - 124:C MODELS 1: - 21: AT 42.9% ATOM 1 N PHE 66 6.268 57.311 76.840 1.00 51.55 N ATOM 2 CA PHE 66 5.997 58.223 75.706 1.00 51.55 C ATOM 3 CB PHE 66 7.026 58.029 74.582 1.00 51.55 C ATOM 4 CG PHE 66 8.167 58.901 74.960 1.00 51.55 C ATOM 5 CD1 PHE 66 9.162 58.470 75.811 1.00 51.55 C ATOM 6 CD2 PHE 66 8.216 60.183 74.473 1.00 51.55 C ATOM 7 CE1 PHE 66 10.195 59.308 76.151 1.00 51.55 C ATOM 8 CE2 PHE 66 9.248 61.023 74.808 1.00 51.55 C ATOM 9 CZ PHE 66 10.243 60.588 75.650 1.00 51.55 C ATOM 10 C PHE 66 4.619 58.089 75.169 1.00 51.55 C ATOM 11 O PHE 66 4.236 57.039 74.656 1.00 51.55 O ATOM 12 N THR 67 3.839 59.174 75.280 1.00 35.63 N ATOM 13 CA THR 67 2.481 59.117 74.839 1.00 35.63 C ATOM 14 CB THR 67 1.498 59.625 75.858 0.50 35.63 C ATOM 15 OG1 THR 67 1.572 58.852 77.048 1.00 35.63 O ATOM 16 CG2 THR 67 0.081 59.559 75.263 1.00 35.63 C ATOM 17 C THR 67 2.346 59.975 73.634 1.00 35.63 C ATOM 18 O THR 67 2.938 61.049 73.534 1.00 35.63 O ATOM 19 N CYS 68 1.564 59.482 72.658 1.00 44.45 N ATOM 20 CA CYS 68 1.307 60.250 71.484 1.00 44.45 C ATOM 21 CB CYS 68 0.795 59.397 70.314 1.00 44.45 C ATOM 22 SG CYS 68 0.449 60.397 68.840 1.00 44.45 S ATOM 23 C CYS 68 0.248 61.223 71.882 1.00 44.45 C ATOM 24 O CYS 68 -0.767 60.853 72.466 1.00 44.45 O ATOM 25 N THR 69 0.476 62.510 71.589 1.00103.89 N ATOM 26 CA THR 69 -0.435 63.504 72.063 1.00103.89 C ATOM 27 CB THR 69 0.044 64.904 71.805 1.00103.89 C ATOM 28 OG1 THR 69 -0.762 65.841 72.507 1.00103.89 O ATOM 29 CG2 THR 69 0.002 65.198 70.297 1.00103.89 C ATOM 30 C THR 69 -1.789 63.331 71.453 1.00103.89 C ATOM 31 O THR 69 -2.795 63.432 72.155 1.00103.89 O ATOM 32 N GLN 70 -1.872 63.099 70.126 1.00 98.89 N ATOM 33 CA GLN 70 -3.190 63.029 69.568 1.00 98.89 C ATOM 34 CB GLN 70 -3.221 63.033 68.029 1.00 98.89 C ATOM 35 CG GLN 70 -2.669 64.295 67.368 1.00 98.89 C ATOM 36 CD GLN 70 -1.237 64.011 66.936 1.00 98.89 C ATOM 37 OE1 GLN 70 -0.751 62.887 67.044 1.00 98.89 O ATOM 38 NE2 GLN 70 -0.539 65.059 66.421 1.00 98.89 N ATOM 39 C GLN 70 -3.924 61.790 69.982 1.00 98.89 C ATOM 40 O GLN 70 -5.000 61.881 70.571 1.00 98.89 O ATOM 41 N CYS 71 -3.355 60.599 69.692 1.00 49.81 N ATOM 42 CA CYS 71 -4.042 59.362 69.960 1.00 49.81 C ATOM 43 CB CYS 71 -3.462 58.142 69.224 1.00 49.81 C ATOM 44 SG CYS 71 -1.747 57.778 69.685 1.00 49.81 S ATOM 45 C CYS 71 -4.080 59.059 71.419 1.00 49.81 C ATOM 46 O CYS 71 -5.095 58.588 71.926 1.00 49.81 O ATOM 47 N GLY 72 -2.976 59.317 72.143 1.00 27.49 N ATOM 48 CA GLY 72 -2.992 59.052 73.552 1.00 27.49 C ATOM 49 C GLY 72 -2.389 57.706 73.821 1.00 27.49 C ATOM 50 O GLY 72 -2.293 57.292 74.975 1.00 27.49 O ATOM 51 N LYS 73 -1.968 56.978 72.769 1.00122.61 N ATOM 52 CA LYS 73 -1.355 55.709 73.025 1.00122.61 C ATOM 53 CB LYS 73 -1.006 54.853 71.798 1.00122.61 C ATOM 54 CG LYS 73 -2.138 53.984 71.274 1.00122.61 C ATOM 55 CD LYS 73 -1.806 53.311 69.943 1.00122.61 C ATOM 56 CE LYS 73 -0.759 52.201 70.049 1.00122.61 C ATOM 57 NZ LYS 73 -0.519 51.620 68.709 1.00122.61 N ATOM 58 C LYS 73 -0.041 55.954 73.670 1.00122.61 C ATOM 59 O LYS 73 0.635 56.941 73.389 1.00122.61 O ATOM 60 N CYS 74 0.342 55.033 74.567 1.00 84.96 N ATOM 61 CA CYS 74 1.602 55.140 75.228 1.00 84.96 C ATOM 62 CB CYS 74 1.503 54.915 76.746 1.00 84.96 C ATOM 63 SG CYS 74 0.572 53.410 77.149 1.00 84.96 S ATOM 64 C CYS 74 2.484 54.090 74.648 1.00 84.96 C ATOM 65 O CYS 74 2.021 53.009 74.284 1.00 84.96 O ATOM 66 N PHE 75 3.787 54.399 74.524 1.00140.46 N ATOM 67 CA PHE 75 4.680 53.445 73.949 1.00140.46 C ATOM 68 CB PHE 75 5.290 53.900 72.608 1.00140.46 C ATOM 69 CG PHE 75 4.200 54.086 71.601 1.00140.46 C ATOM 70 CD1 PHE 75 3.713 53.009 70.897 1.00140.46 C ATOM 71 CD2 PHE 75 3.663 55.333 71.366 1.00140.46 C ATOM 72 CE1 PHE 75 2.714 53.168 69.967 1.00140.46 C ATOM 73 CE2 PHE 75 2.662 55.498 70.436 1.00140.46 C ATOM 74 CZ PHE 75 2.186 54.417 69.736 1.00140.46 C ATOM 75 C PHE 75 5.811 53.239 74.906 1.00140.46 C ATOM 76 O PHE 75 6.173 54.130 75.673 1.00140.46 O ATOM 77 N GLY 76 6.368 52.015 74.899 1.00 28.26 N ATOM 78 CA GLY 76 7.471 51.670 75.736 1.00 28.26 C ATOM 79 C GLY 76 8.666 52.457 75.305 1.00 28.26 C ATOM 80 O GLY 76 9.483 52.862 76.130 1.00 28.26 O ATOM 81 N ARG 77 8.828 52.681 73.990 1.00135.05 N ATOM 82 CA ARG 77 10.034 53.344 73.607 1.00135.05 C ATOM 83 CB ARG 77 11.066 52.364 73.020 1.00135.05 C ATOM 84 CG ARG 77 10.512 51.470 71.911 1.00135.05 C ATOM 85 CD ARG 77 11.339 50.196 71.719 1.00135.05 C ATOM 86 NE ARG 77 10.692 49.365 70.664 1.00135.05 N ATOM 87 CZ ARG 77 11.469 48.566 69.877 1.00135.05 C ATOM 88 NH1 ARG 77 12.828 48.607 70.002 1.00135.05 N ATOM 89 NH2 ARG 77 10.890 47.725 68.969 1.00135.05 N ATOM 90 C ARG 77 9.769 54.504 72.705 1.00135.05 C ATOM 91 O ARG 77 8.786 54.559 71.970 1.00135.05 O ATOM 92 N LYS 78 10.688 55.488 72.784 1.00 51.31 N ATOM 93 CA LYS 78 10.616 56.737 72.089 1.00 51.31 C ATOM 94 CB LYS 78 11.809 57.650 72.409 1.00 51.31 C ATOM 95 CG LYS 78 11.829 58.228 73.825 1.00 51.31 C ATOM 96 CD LYS 78 13.196 58.809 74.192 1.00 51.31 C ATOM 97 CE LYS 78 13.128 60.135 74.950 1.00 51.31 C ATOM 98 NZ LYS 78 14.488 60.538 75.371 1.00 51.31 N ATOM 99 C LYS 78 10.648 56.499 70.617 1.00 51.31 C ATOM 100 O LYS 78 9.942 57.163 69.863 1.00 51.31 O ATOM 101 N ASP 79 11.480 55.541 70.169 1.00 59.10 N ATOM 102 CA ASP 79 11.621 55.296 68.767 1.00 59.10 C ATOM 103 CB ASP 79 12.750 54.285 68.453 1.00 59.10 C ATOM 104 CG ASP 79 12.568 52.994 69.239 1.00 59.10 C ATOM 105 OD1 ASP 79 12.373 53.081 70.483 1.00 59.10 O ATOM 106 OD2 ASP 79 12.659 51.903 68.617 1.00 59.10 O ATOM 107 C ASP 79 10.306 54.873 68.179 1.00 59.10 C ATOM 108 O ASP 79 9.939 55.336 67.100 1.00 59.10 O ATOM 109 N ASN 80 9.538 54.005 68.866 1.00 53.27 N ATOM 110 CA ASN 80 8.260 53.617 68.330 1.00 53.27 C ATOM 111 CB ASN 80 7.520 52.528 69.127 1.00 53.27 C ATOM 112 CG ASN 80 8.040 51.172 68.684 1.00 53.27 C ATOM 113 OD1 ASN 80 9.228 50.883 68.807 1.00 53.27 O ATOM 114 ND2 ASN 80 7.124 50.315 68.153 1.00 53.27 N ATOM 115 C ASN 80 7.335 54.792 68.292 1.00 53.27 C ATOM 116 O ASN 80 6.532 54.923 67.371 1.00 53.27 O ATOM 117 N LEU 81 7.403 55.669 69.305 1.00111.37 N ATOM 118 CA LEU 81 6.494 56.774 69.353 1.00111.37 C ATOM 119 CB LEU 81 6.623 57.574 70.667 0.50111.37 C ATOM 120 CG LEU 81 5.669 58.777 70.795 0.50111.37 C ATOM 121 CD1 LEU 81 6.073 59.948 69.889 0.50111.37 C ATOM 122 CD2 LEU 81 4.210 58.350 70.572 0.50111.37 C ATOM 123 C LEU 81 6.752 57.670 68.182 1.00111.37 C ATOM 124 O LEU 81 5.818 58.215 67.592 1.00111.37 O ATOM 125 N LYS 82 8.031 57.856 67.818 1.00 83.37 N ATOM 126 CA LYS 82 8.364 58.741 66.741 1.00 83.37 C ATOM 127 CB LYS 82 9.877 58.730 66.476 1.00 83.37 C ATOM 128 CG LYS 82 10.320 59.538 65.257 1.00 83.37 C ATOM 129 CD LYS 82 11.842 59.542 65.091 1.00 83.37 C ATOM 130 CE LYS 82 12.342 60.178 63.792 1.00 83.37 C ATOM 131 NZ LYS 82 13.812 60.022 63.701 1.00 83.37 N ATOM 132 C LYS 82 7.705 58.275 65.485 1.00 83.37 C ATOM 133 O LYS 82 6.995 59.036 64.829 1.00 83.37 O ATOM 134 N ILE 83 7.908 56.992 65.131 1.00 97.07 N ATOM 135 CA ILE 83 7.386 56.452 63.908 1.00 97.07 C ATOM 136 CB ILE 83 7.946 55.107 63.557 1.00 97.07 C ATOM 137 CG1 ILE 83 7.525 54.025 64.565 1.00 97.07 C ATOM 138 CG2 ILE 83 9.469 55.286 63.446 1.00 97.07 C ATOM 139 CD1 ILE 83 7.761 52.603 64.049 1.00 97.07 C ATOM 140 C ILE 83 5.895 56.377 63.977 1.00 97.07 C ATOM 141 O ILE 83 5.213 56.616 62.986 1.00 97.07 O ATOM 142 N HIS 84 5.342 56.053 65.158 1.00 56.06 N ATOM 143 CA HIS 84 3.921 55.905 65.252 1.00 56.06 C ATOM 144 ND1 HIS 84 1.347 54.198 66.228 1.00 56.06 N ATOM 145 CG HIS 84 1.939 55.367 66.647 1.00 56.06 C ATOM 146 CB HIS 84 3.421 55.591 66.669 1.00 56.06 C ATOM 147 NE2 HIS 84 -0.301 55.582 66.792 1.00 56.06 N ATOM 148 CD2 HIS 84 0.922 56.203 66.988 1.00 56.06 C ATOM 149 CE1 HIS 84 0.003 54.383 66.334 1.00 56.06 C ATOM 150 C HIS 84 3.278 57.187 64.827 1.00 56.06 C ATOM 151 O HIS 84 2.241 57.173 64.165 1.00 56.06 O ATOM 152 N MET 85 3.905 58.331 65.151 1.00 76.99 N ATOM 153 CA MET 85 3.345 59.612 64.824 1.00 76.99 C ATOM 154 CB MET 85 4.266 60.769 65.246 1.00 76.99 C ATOM 155 CG MET 85 3.745 62.162 64.884 1.00 76.99 C ATOM 156 SD MET 85 4.854 63.506 65.401 1.00 76.99 S ATOM 157 CE MET 85 6.254 62.940 64.391 1.00 76.99 C ATOM 158 C MET 85 3.138 59.725 63.338 1.00 76.99 C ATOM 159 O MET 85 2.077 60.168 62.901 1.00 76.99 O ATOM 160 N ARG 86 4.129 59.318 62.517 1.00124.34 N ATOM 161 CA ARG 86 3.976 59.435 61.095 1.00124.34 C ATOM 162 CB ARG 86 5.248 59.108 60.288 1.00124.34 C ATOM 163 CG ARG 86 5.792 57.704 60.548 1.00124.34 C ATOM 164 CD ARG 86 6.848 57.250 59.541 1.00124.34 C ATOM 165 NE ARG 86 6.123 56.769 58.330 1.00124.34 N ATOM 166 CZ ARG 86 6.542 57.137 57.083 1.00124.34 C ATOM 167 NH1 ARG 86 7.585 58.005 56.947 1.00124.34 N ATOM 168 NH2 ARG 86 5.926 56.632 55.974 1.00124.34 N ATOM 169 C ARG 86 2.915 58.461 60.614 1.00124.34 C ATOM 170 O ARG 86 3.004 58.052 59.426 1.00124.34 O ATOM 171 OXT ARG 86 2.001 58.112 61.412 1.00124.34 O