EXPDTA THEORETICAL MODEL, MODELLER 9.19 2017/10/25 12:19:27 REMARK 6 MODELLER OBJECTIVE FUNCTION: 94.8444 REMARK 6 MODELLER BEST TEMPLATE % SEQ ID: 40.741 REMARK 6 SEQUENCE: model REMARK 6 ALIGNMENT: alignment.pir REMARK 6 DOPE score: -1809.59644 REMARK 6 GA341 score: 0.79040 REMARK 6 Normalized DOPE score: -1.14665 REMARK 6 TEMPLATE: 1llmC01 104:C - 130:C MODELS 1: - 27: AT 40.7% ATOM 1 N PHE 81 8.693 50.301 65.614 1.00 88.09 N ATOM 2 CA PHE 81 10.154 50.069 65.642 1.00 88.09 C ATOM 3 CB PHE 81 10.473 48.567 65.723 1.00 88.09 C ATOM 4 CG PHE 81 9.932 48.070 67.021 1.00 88.09 C ATOM 5 CD1 PHE 81 10.696 48.135 68.164 1.00 88.09 C ATOM 6 CD2 PHE 81 8.659 47.553 67.097 1.00 88.09 C ATOM 7 CE1 PHE 81 10.196 47.683 69.364 1.00 88.09 C ATOM 8 CE2 PHE 81 8.156 47.099 68.292 1.00 88.09 C ATOM 9 CZ PHE 81 8.925 47.165 69.429 1.00 88.09 C ATOM 10 C PHE 81 10.782 50.639 64.416 1.00 88.09 C ATOM 11 O PHE 81 10.224 50.546 63.323 1.00 88.09 O ATOM 12 N SER 82 11.975 51.245 64.571 1.00 85.09 N ATOM 13 CA SER 82 12.579 51.885 63.441 1.00 85.09 C ATOM 14 CB SER 82 12.884 53.378 63.667 0.50 85.09 C ATOM 15 OG SER 82 13.803 53.542 64.737 1.00 85.09 O ATOM 16 C SER 82 13.857 51.196 63.086 1.00 85.09 C ATOM 17 O SER 82 14.515 50.581 63.926 1.00 85.09 O ATOM 18 N CYS 83 14.218 51.284 61.788 1.00 36.94 N ATOM 19 CA CYS 83 15.404 50.679 61.255 1.00 36.94 C ATOM 20 CB CYS 83 15.249 50.237 59.788 1.00 36.94 C ATOM 21 SG CYS 83 16.755 49.469 59.118 1.00 36.94 S ATOM 22 C CYS 83 16.499 51.700 61.296 1.00 36.94 C ATOM 23 O CYS 83 16.279 52.881 61.033 1.00 36.94 O ATOM 24 N LYS 84 17.718 51.252 61.649 1.00188.21 N ATOM 25 CA LYS 84 18.851 52.117 61.789 1.00188.21 C ATOM 26 CB LYS 84 20.054 51.391 62.432 1.00188.21 C ATOM 27 CG LYS 84 20.630 50.216 61.631 1.00188.21 C ATOM 28 CD LYS 84 21.543 50.630 60.478 1.00188.21 C ATOM 29 CE LYS 84 22.574 51.675 60.890 1.00188.21 C ATOM 30 NZ LYS 84 23.364 51.162 62.027 1.00188.21 N ATOM 31 C LYS 84 19.256 52.712 60.471 1.00188.21 C ATOM 32 O LYS 84 19.567 53.902 60.404 1.00188.21 O ATOM 33 N GLN 85 19.288 51.912 59.384 1.00111.64 N ATOM 34 CA GLN 85 19.738 52.469 58.135 1.00111.64 C ATOM 35 CB GLN 85 19.918 51.422 57.022 1.00111.64 C ATOM 36 CG GLN 85 21.290 50.759 57.008 1.00111.64 C ATOM 37 CD GLN 85 22.194 51.688 56.206 1.00111.64 C ATOM 38 OE1 GLN 85 21.764 52.748 55.752 1.00111.64 O ATOM 39 NE2 GLN 85 23.481 51.285 56.023 1.00111.64 N ATOM 40 C GLN 85 18.785 53.481 57.589 1.00111.64 C ATOM 41 O GLN 85 19.145 54.644 57.408 1.00111.64 O ATOM 42 N CYS 86 17.535 53.054 57.324 1.00102.61 N ATOM 43 CA CYS 86 16.545 53.914 56.737 1.00102.61 C ATOM 44 CB CYS 86 15.261 53.174 56.344 1.00102.61 C ATOM 45 SG CYS 86 15.493 51.854 55.128 1.00102.61 S ATOM 46 C CYS 86 16.089 54.930 57.726 1.00102.61 C ATOM 47 O CYS 86 16.004 56.121 57.428 1.00102.61 O ATOM 48 N GLY 87 15.801 54.463 58.954 1.00 24.01 N ATOM 49 CA GLY 87 15.227 55.307 59.955 1.00 24.01 C ATOM 50 C GLY 87 13.744 55.197 59.777 1.00 24.01 C ATOM 51 O GLY 87 12.965 55.921 60.395 1.00 24.01 O ATOM 52 N LYS 88 13.327 54.273 58.891 1.00 74.19 N ATOM 53 CA LYS 88 11.943 54.057 58.596 1.00 74.19 C ATOM 54 CB LYS 88 11.748 53.210 57.335 1.00 74.19 C ATOM 55 CG LYS 88 10.305 53.081 56.870 1.00 74.19 C ATOM 56 CD LYS 88 10.230 52.565 55.435 1.00 74.19 C ATOM 57 CE LYS 88 8.810 52.247 54.979 1.00 74.19 C ATOM 58 NZ LYS 88 7.952 53.436 55.159 1.00 74.19 N ATOM 59 C LYS 88 11.330 53.336 59.748 1.00 74.19 C ATOM 60 O LYS 88 11.979 52.537 60.422 1.00 74.19 O ATOM 61 N SER 89 10.039 53.613 60.002 1.00 71.68 N ATOM 62 CA SER 89 9.366 53.028 61.122 1.00 71.68 C ATOM 63 CB SER 89 8.569 54.063 61.927 1.00 71.68 C ATOM 64 OG SER 89 7.866 53.423 62.982 1.00 71.68 O ATOM 65 C SER 89 8.402 52.012 60.608 1.00 71.68 C ATOM 66 O SER 89 7.913 52.121 59.485 1.00 71.68 O ATOM 67 N PHE 90 8.130 50.971 61.425 1.00 48.38 N ATOM 68 CA PHE 90 7.217 49.941 61.022 1.00 48.38 C ATOM 69 CB PHE 90 7.904 48.621 60.619 1.00 48.38 C ATOM 70 CG PHE 90 8.741 48.902 59.417 1.00 48.38 C ATOM 71 CD1 PHE 90 10.030 49.359 59.561 1.00 48.38 C ATOM 72 CD2 PHE 90 8.244 48.720 58.146 1.00 48.38 C ATOM 73 CE1 PHE 90 10.813 49.624 58.463 1.00 48.38 C ATOM 74 CE2 PHE 90 9.023 48.983 57.042 1.00 48.38 C ATOM 75 CZ PHE 90 10.311 49.434 57.199 1.00 48.38 C ATOM 76 C PHE 90 6.314 49.650 62.176 1.00 48.38 C ATOM 77 O PHE 90 6.681 49.839 63.335 1.00 48.38 O ATOM 78 N SER 91 5.086 49.192 61.866 1.00 74.69 N ATOM 79 CA SER 91 4.096 48.914 62.864 1.00 74.69 C ATOM 80 CB SER 91 2.721 48.603 62.255 1.00 74.69 C ATOM 81 OG SER 91 2.220 49.752 61.590 1.00 74.69 O ATOM 82 C SER 91 4.495 47.727 63.684 1.00 74.69 C ATOM 83 O SER 91 4.224 47.691 64.884 1.00 74.69 O ATOM 84 N GLN 92 5.149 46.723 63.063 1.00120.60 N ATOM 85 CA GLN 92 5.446 45.528 63.802 1.00120.60 C ATOM 86 CB GLN 92 4.711 44.281 63.273 1.00120.60 C ATOM 87 CG GLN 92 4.990 43.951 61.805 1.00120.60 C ATOM 88 CD GLN 92 4.009 44.748 60.953 1.00120.60 C ATOM 89 OE1 GLN 92 4.347 45.215 59.866 1.00120.60 O ATOM 90 NE2 GLN 92 2.755 44.911 61.458 1.00120.60 N ATOM 91 C GLN 92 6.916 45.247 63.829 1.00120.60 C ATOM 92 O GLN 92 7.643 45.505 62.871 1.00120.60 O ATOM 93 N LYS 93 7.370 44.700 64.978 1.00 64.90 N ATOM 94 CA LYS 93 8.738 44.362 65.249 1.00 64.90 C ATOM 95 CB LYS 93 8.934 43.844 66.689 1.00 64.90 C ATOM 96 CG LYS 93 10.380 43.476 67.034 1.00 64.90 C ATOM 97 CD LYS 93 10.625 43.258 68.529 1.00 64.90 C ATOM 98 CE LYS 93 12.042 42.784 68.850 1.00 64.90 C ATOM 99 NZ LYS 93 12.203 42.660 70.314 1.00 64.90 N ATOM 100 C LYS 93 9.190 43.288 64.309 1.00 64.90 C ATOM 101 O LYS 93 10.318 43.321 63.818 1.00 64.90 O ATOM 102 N SER 94 8.316 42.305 64.033 1.00 26.20 N ATOM 103 CA SER 94 8.700 41.211 63.194 1.00 26.20 C ATOM 104 CB SER 94 7.586 40.158 63.045 1.00 26.20 C ATOM 105 OG SER 94 6.448 40.714 62.402 1.00 26.20 O ATOM 106 C SER 94 9.047 41.741 61.839 1.00 26.20 C ATOM 107 O SER 94 10.054 41.347 61.251 1.00 26.20 O ATOM 108 N ASN 95 8.228 42.668 61.310 1.00 57.81 N ATOM 109 CA ASN 95 8.511 43.209 60.013 1.00 57.81 C ATOM 110 CB ASN 95 7.397 44.068 59.383 1.00 57.81 C ATOM 111 CG ASN 95 6.504 43.122 58.588 1.00 57.81 C ATOM 112 OD1 ASN 95 6.323 41.966 58.964 1.00 57.81 O ATOM 113 ND2 ASN 95 5.943 43.613 57.448 1.00 57.81 N ATOM 114 C ASN 95 9.769 44.001 60.062 1.00 57.81 C ATOM 115 O ASN 95 10.469 44.098 59.057 1.00 57.81 O ATOM 116 N LEU 96 10.077 44.616 61.217 1.00 40.49 N ATOM 117 CA LEU 96 11.282 45.383 61.290 1.00 40.49 C ATOM 118 CB LEU 96 11.495 46.041 62.663 0.50 40.49 C ATOM 119 CG LEU 96 12.789 46.872 62.743 0.50 40.49 C ATOM 120 CD1 LEU 96 12.782 48.026 61.728 0.50 40.49 C ATOM 121 CD2 LEU 96 13.046 47.352 64.179 0.50 40.49 C ATOM 122 C LEU 96 12.427 44.444 61.048 1.00 40.49 C ATOM 123 O LEU 96 13.348 44.767 60.300 1.00 40.49 O ATOM 124 N ASP 97 12.385 43.241 61.657 1.00 44.87 N ATOM 125 CA ASP 97 13.467 42.307 61.499 1.00 44.87 C ATOM 126 CB ASP 97 13.272 40.990 62.280 1.00 44.87 C ATOM 127 CG ASP 97 13.628 41.194 63.743 1.00 44.87 C ATOM 128 OD1 ASP 97 14.632 41.908 64.013 1.00 44.87 O ATOM 129 OD2 ASP 97 12.908 40.631 64.611 1.00 44.87 O ATOM 130 C ASP 97 13.616 41.917 60.057 1.00 44.87 C ATOM 131 O ASP 97 14.722 41.914 59.522 1.00 44.87 O ATOM 132 N VAL 98 12.502 41.584 59.380 1.00 29.25 N ATOM 133 CA VAL 98 12.558 41.141 58.015 1.00 29.25 C ATOM 134 CB VAL 98 11.200 40.806 57.474 1.00 29.25 C ATOM 135 CG1 VAL 98 11.346 40.460 55.983 1.00 29.25 C ATOM 136 CG2 VAL 98 10.593 39.676 58.323 1.00 29.25 C ATOM 137 C VAL 98 13.106 42.243 57.164 1.00 29.25 C ATOM 138 O VAL 98 13.939 42.013 56.289 1.00 29.25 O ATOM 139 N HIS 99 12.660 43.484 57.428 1.00 58.32 N ATOM 140 CA HIS 99 13.033 44.628 56.645 1.00 58.32 C ATOM 141 ND1 HIS 99 12.615 47.561 55.203 1.00 58.32 N ATOM 142 CG HIS 99 12.913 47.165 56.490 1.00 58.32 C ATOM 143 CB HIS 99 12.386 45.928 57.159 1.00 58.32 C ATOM 144 NE2 HIS 99 14.008 49.086 56.030 1.00 58.32 N ATOM 145 CD2 HIS 99 13.765 48.110 56.977 1.00 58.32 C ATOM 146 CE1 HIS 99 13.296 48.714 54.981 1.00 58.32 C ATOM 147 C HIS 99 14.512 44.836 56.669 1.00 58.32 C ATOM 148 O HIS 99 15.107 45.136 55.635 1.00 58.32 O ATOM 149 N MET 100 15.147 44.674 57.843 1.00132.94 N ATOM 150 CA MET 100 16.549 44.952 57.973 1.00132.94 C ATOM 151 CB MET 100 17.083 44.881 59.411 1.00132.94 C ATOM 152 CG MET 100 18.548 45.321 59.479 1.00132.94 C ATOM 153 SD MET 100 19.130 45.809 61.128 1.00132.94 S ATOM 154 CE MET 100 18.651 47.543 60.877 1.00132.94 C ATOM 155 C MET 100 17.335 44.007 57.124 1.00132.94 C ATOM 156 O MET 100 18.409 44.346 56.629 1.00132.94 O ATOM 157 N ARG 101 16.812 42.787 56.935 1.00107.11 N ATOM 158 CA ARG 101 17.486 41.787 56.160 1.00107.11 C ATOM 159 CB ARG 101 16.760 40.427 56.110 1.00107.11 C ATOM 160 CG ARG 101 16.887 39.612 57.404 1.00107.11 C ATOM 161 CD ARG 101 16.458 38.147 57.259 1.00107.11 C ATOM 162 NE ARG 101 16.744 37.441 58.541 1.00107.11 N ATOM 163 CZ ARG 101 15.810 37.382 59.536 1.00107.11 C ATOM 164 NH1 ARG 101 14.568 37.917 59.349 1.00107.11 N ATOM 165 NH2 ARG 101 16.126 36.784 60.722 1.00107.11 N ATOM 166 C ARG 101 17.636 42.311 54.770 1.00107.11 C ATOM 167 O ARG 101 18.526 41.880 54.045 1.00107.11 O ATOM 168 N VAL 102 16.757 43.230 54.335 1.00 39.64 N ATOM 169 CA VAL 102 16.892 43.759 53.008 1.00 39.64 C ATOM 170 CB VAL 102 15.879 44.820 52.706 1.00 39.64 C ATOM 171 CG1 VAL 102 16.139 45.346 51.286 1.00 39.64 C ATOM 172 CG2 VAL 102 14.471 44.233 52.915 1.00 39.64 C ATOM 173 C VAL 102 18.248 44.392 52.902 1.00 39.64 C ATOM 174 O VAL 102 18.952 44.211 51.911 1.00 39.64 O ATOM 175 N HIS 103 18.654 45.167 53.925 1.00 52.13 N ATOM 176 CA HIS 103 19.934 45.816 53.925 1.00 52.13 C ATOM 177 ND1 HIS 103 19.021 48.877 54.115 1.00 52.13 N ATOM 178 CG HIS 103 19.019 47.853 55.034 1.00 52.13 C ATOM 179 CB HIS 103 20.074 46.792 55.099 1.00 52.13 C ATOM 180 NE2 HIS 103 17.189 49.136 55.348 1.00 52.13 N ATOM 181 CD2 HIS 103 17.891 48.027 55.781 1.00 52.13 C ATOM 182 CE1 HIS 103 17.905 49.615 54.346 1.00 52.13 C ATOM 183 C HIS 103 21.038 44.802 54.019 1.00 52.13 C ATOM 184 O HIS 103 22.016 44.880 53.277 1.00 52.13 O ATOM 185 N THR 104 20.898 43.810 54.923 1.00 42.36 N ATOM 186 CA THR 104 21.911 42.812 55.159 1.00 42.36 C ATOM 187 CB THR 104 21.613 41.911 56.327 1.00 42.36 C ATOM 188 OG1 THR 104 20.403 41.196 56.129 1.00 42.36 O ATOM 189 CG2 THR 104 21.525 42.768 57.602 1.00 42.36 C ATOM 190 C THR 104 22.081 41.947 53.947 1.00 42.36 C ATOM 191 O THR 104 23.182 41.486 53.647 1.00 42.36 O ATOM 192 N ARG 105 20.979 41.737 53.209 1.00130.82 N ATOM 193 CA ARG 105 20.905 40.903 52.050 1.00130.82 C ATOM 194 CB ARG 105 22.004 41.210 51.022 1.00130.82 C ATOM 195 CG ARG 105 21.738 40.613 49.647 1.00130.82 C ATOM 196 CD ARG 105 22.838 40.956 48.641 1.00130.82 C ATOM 197 NE ARG 105 22.387 40.487 47.303 1.00130.82 N ATOM 198 CZ ARG 105 21.663 41.329 46.515 1.00130.82 C ATOM 199 NH1 ARG 105 21.398 42.596 46.947 1.00130.82 N ATOM 200 NH2 ARG 105 21.240 40.913 45.286 1.00130.82 N ATOM 201 C ARG 105 21.002 39.471 52.466 1.00130.82 C ATOM 202 O ARG 105 21.501 38.627 51.723 1.00130.82 O ATOM 203 N GLU 106 20.503 39.157 53.679 1.00 35.94 N ATOM 204 CA GLU 106 20.488 37.791 54.115 1.00 35.94 C ATOM 205 CB GLU 106 20.303 37.618 55.634 1.00 35.94 C ATOM 206 CG GLU 106 20.384 36.155 56.089 1.00 35.94 C ATOM 207 CD GLU 106 20.301 36.115 57.609 1.00 35.94 C ATOM 208 OE1 GLU 106 19.951 37.162 58.216 1.00 35.94 O ATOM 209 OE2 GLU 106 20.582 35.032 58.190 1.00 35.94 O ATOM 210 C GLU 106 19.341 37.114 53.433 1.00 35.94 C ATOM 211 O GLU 106 18.341 37.755 53.115 1.00 35.94 O ATOM 212 N GLN 107 19.462 35.794 53.182 1.00 65.26 N ATOM 213 CA GLN 107 18.413 35.072 52.520 1.00 65.26 C ATOM 214 CB GLN 107 18.815 33.651 52.094 1.00 65.26 C ATOM 215 CG GLN 107 19.071 32.722 53.282 1.00 65.26 C ATOM 216 CD GLN 107 19.387 31.335 52.742 1.00 65.26 C ATOM 217 OE1 GLN 107 20.373 31.135 52.033 1.00 65.26 O ATOM 218 NE2 GLN 107 18.524 30.343 53.091 1.00 65.26 N ATOM 219 C GLN 107 17.249 34.919 53.492 1.00 65.26 C ATOM 220 O GLN 107 16.247 34.251 53.117 1.00 65.26 O ATOM 221 OXT GLN 107 17.350 35.460 54.626 1.00 65.26 O