EXPDTA THEORETICAL MODEL, MODELLER 9.19 2017/10/25 12:04:43 REMARK 6 MODELLER OBJECTIVE FUNCTION: 87.3697 REMARK 6 MODELLER BEST TEMPLATE % SEQ ID: 50.000 REMARK 6 SEQUENCE: model REMARK 6 ALIGNMENT: alignment.pir REMARK 6 DOPE score: -1530.72534 REMARK 6 GA341 score: 0.86605 REMARK 6 Normalized DOPE score: -0.27147 REMARK 6 TEMPLATE: 1llmC01 101:C - 124:C MODELS 1: - 24: AT 50.0% ATOM 1 N GLU 166 -9.807 38.126 51.511 1.00 75.88 N ATOM 2 CA GLU 166 -9.573 39.563 51.258 1.00 75.88 C ATOM 3 CB GLU 166 -10.904 40.271 50.955 1.00 75.88 C ATOM 4 CG GLU 166 -11.519 39.909 49.600 1.00 75.88 C ATOM 5 CD GLU 166 -10.802 40.708 48.520 1.00 75.88 C ATOM 6 OE1 GLU 166 -9.690 41.227 48.808 1.00 75.88 O ATOM 7 OE2 GLU 166 -11.360 40.815 47.395 1.00 75.88 O ATOM 8 C GLU 166 -8.962 40.212 52.455 1.00 75.88 C ATOM 9 O GLU 166 -7.925 39.783 52.958 1.00 75.88 O ATOM 10 N LYS 167 -9.594 41.297 52.933 1.00 79.36 N ATOM 11 CA LYS 167 -9.066 41.973 54.078 1.00 79.36 C ATOM 12 CB LYS 167 -8.904 43.485 53.833 1.00 79.36 C ATOM 13 CG LYS 167 -7.996 43.792 52.635 1.00 79.36 C ATOM 14 CD LYS 167 -8.065 45.240 52.139 1.00 79.36 C ATOM 15 CE LYS 167 -7.399 45.461 50.776 1.00 79.36 C ATOM 16 NZ LYS 167 -5.951 45.153 50.852 1.00 79.36 N ATOM 17 C LYS 167 -10.054 41.770 55.185 1.00 79.36 C ATOM 18 O LYS 167 -11.094 42.423 55.254 1.00 79.36 O ATOM 19 N PRO 168 -9.748 40.826 56.028 1.00 79.14 N ATOM 20 CA PRO 168 -10.583 40.465 57.145 1.00 79.14 C ATOM 21 CD PRO 168 -8.871 39.741 55.626 1.00 79.14 C ATOM 22 CB PRO 168 -10.166 39.044 57.542 1.00 79.14 C ATOM 23 CG PRO 168 -8.803 38.835 56.864 1.00 79.14 C ATOM 24 C PRO 168 -10.595 41.411 58.309 1.00 79.14 C ATOM 25 O PRO 168 -11.492 41.279 59.140 1.00 79.14 O ATOM 26 N PHE 169 -9.634 42.348 58.432 1.00 63.17 N ATOM 27 CA PHE 169 -9.649 43.142 59.629 1.00 63.17 C ATOM 28 CB PHE 169 -8.296 43.135 60.358 1.00 63.17 C ATOM 29 CG PHE 169 -8.089 41.712 60.759 1.00 63.17 C ATOM 30 CD1 PHE 169 -7.493 40.820 59.896 1.00 63.17 C ATOM 31 CD2 PHE 169 -8.512 41.263 61.988 1.00 63.17 C ATOM 32 CE1 PHE 169 -7.307 39.507 60.261 1.00 63.17 C ATOM 33 CE2 PHE 169 -8.329 39.951 62.357 1.00 63.17 C ATOM 34 CZ PHE 169 -7.727 39.068 61.494 1.00 63.17 C ATOM 35 C PHE 169 -10.039 44.541 59.285 1.00 63.17 C ATOM 36 O PHE 169 -9.427 45.172 58.426 1.00 63.17 O ATOM 37 N THR 170 -11.072 45.068 59.980 1.00103.85 N ATOM 38 CA THR 170 -11.602 46.360 59.655 1.00103.85 C ATOM 39 CB THR 170 -13.072 46.326 59.358 0.50103.85 C ATOM 40 OG1 THR 170 -13.519 47.589 58.885 1.00103.85 O ATOM 41 CG2 THR 170 -13.818 45.944 60.648 1.00103.85 C ATOM 42 C THR 170 -11.412 47.319 60.790 1.00103.85 C ATOM 43 O THR 170 -11.484 46.962 61.966 1.00103.85 O ATOM 44 N CYS 171 -11.156 48.593 60.424 1.00 38.47 N ATOM 45 CA CYS 171 -10.998 49.659 61.369 1.00 38.47 C ATOM 46 CB CYS 171 -10.173 50.836 60.819 1.00 38.47 C ATOM 47 SG CYS 171 -9.975 52.182 62.024 1.00 38.47 S ATOM 48 C CYS 171 -12.374 50.176 61.643 1.00 38.47 C ATOM 49 O CYS 171 -13.149 50.442 60.725 1.00 38.47 O ATOM 50 N THR 172 -12.710 50.321 62.936 1.00 39.16 N ATOM 51 CA THR 172 -14.023 50.729 63.331 1.00 39.16 C ATOM 52 CB THR 172 -14.207 50.696 64.819 1.00 39.16 C ATOM 53 OG1 THR 172 -13.977 49.384 65.311 1.00 39.16 O ATOM 54 CG2 THR 172 -15.641 51.141 65.148 1.00 39.16 C ATOM 55 C THR 172 -14.329 52.124 62.875 1.00 39.16 C ATOM 56 O THR 172 -15.439 52.392 62.416 1.00 39.16 O ATOM 57 N GLN 173 -13.390 53.078 63.042 1.00148.43 N ATOM 58 CA GLN 173 -13.759 54.413 62.660 1.00148.43 C ATOM 59 CB GLN 173 -12.850 55.510 63.250 1.00148.43 C ATOM 60 CG GLN 173 -11.381 55.445 62.829 1.00148.43 C ATOM 61 CD GLN 173 -10.652 54.571 63.839 1.00148.43 C ATOM 62 OE1 GLN 173 -11.251 53.710 64.481 1.00148.43 O ATOM 63 NE2 GLN 173 -9.321 54.805 63.998 1.00148.43 N ATOM 64 C GLN 173 -13.829 54.613 61.172 1.00148.43 C ATOM 65 O GLN 173 -14.839 55.083 60.648 1.00148.43 O ATOM 66 N CYS 174 -12.740 54.257 60.465 1.00 96.77 N ATOM 67 CA CYS 174 -12.589 54.442 59.045 1.00 96.77 C ATOM 68 CB CYS 174 -11.121 54.283 58.612 1.00 96.77 C ATOM 69 SG CYS 174 -10.902 54.406 56.815 1.00 96.77 S ATOM 70 C CYS 174 -13.420 53.473 58.254 1.00 96.77 C ATOM 71 O CYS 174 -13.936 53.829 57.196 1.00 96.77 O ATOM 72 N TRP 175 -13.580 52.227 58.757 1.00162.23 N ATOM 73 CA TRP 175 -14.293 51.183 58.067 1.00162.23 C ATOM 74 CB TRP 175 -15.616 51.681 57.432 1.00162.23 C ATOM 75 CG TRP 175 -16.362 50.683 56.574 1.00162.23 C ATOM 76 CD2 TRP 175 -17.143 49.591 57.085 1.00162.23 C ATOM 77 CD1 TRP 175 -16.410 50.586 55.212 1.00162.23 C ATOM 78 NE1 TRP 175 -17.176 49.507 54.843 1.00162.23 N ATOM 79 CE2 TRP 175 -17.632 48.884 55.986 1.00162.23 C ATOM 80 CE3 TRP 175 -17.425 49.208 58.364 1.00162.23 C ATOM 81 CZ2 TRP 175 -18.415 47.777 56.151 1.00162.23 C ATOM 82 CZ3 TRP 175 -18.217 48.093 58.527 1.00162.23 C ATOM 83 CH2 TRP 175 -18.702 47.391 57.442 1.00162.23 C ATOM 84 C TRP 175 -13.413 50.585 57.003 1.00162.23 C ATOM 85 O TRP 175 -13.838 49.707 56.255 1.00162.23 O ATOM 86 N LYS 176 -12.133 50.996 56.933 1.00 40.65 N ATOM 87 CA LYS 176 -11.271 50.423 55.937 1.00 40.65 C ATOM 88 CB LYS 176 -9.962 51.204 55.731 1.00 40.65 C ATOM 89 CG LYS 176 -9.104 50.690 54.572 1.00 40.65 C ATOM 90 CD LYS 176 -8.050 51.698 54.101 1.00 40.65 C ATOM 91 CE LYS 176 -7.186 51.194 52.941 1.00 40.65 C ATOM 92 NZ LYS 176 -6.287 52.275 52.478 1.00 40.65 N ATOM 93 C LYS 176 -10.921 49.037 56.377 1.00 40.65 C ATOM 94 O LYS 176 -10.894 48.746 57.572 1.00 40.65 O ATOM 95 N SER 177 -10.655 48.137 55.405 1.00 77.40 N ATOM 96 CA SER 177 -10.337 46.775 55.734 1.00 77.40 C ATOM 97 CB SER 177 -11.190 45.743 54.975 1.00 77.40 C ATOM 98 OG SER 177 -10.897 45.787 53.586 1.00 77.40 O ATOM 99 C SER 177 -8.904 46.535 55.371 1.00 77.40 C ATOM 100 O SER 177 -8.373 47.162 54.456 1.00 77.40 O ATOM 101 N PHE 178 -8.233 45.617 56.103 1.00 49.11 N ATOM 102 CA PHE 178 -6.841 45.368 55.856 1.00 49.11 C ATOM 103 CB PHE 178 -5.918 45.941 56.943 1.00 49.11 C ATOM 104 CG PHE 178 -6.063 47.424 56.930 1.00 49.11 C ATOM 105 CD1 PHE 178 -7.047 48.032 57.676 1.00 49.11 C ATOM 106 CD2 PHE 178 -5.217 48.206 56.178 1.00 49.11 C ATOM 107 CE1 PHE 178 -7.185 49.401 57.672 1.00 49.11 C ATOM 108 CE2 PHE 178 -5.352 49.573 56.169 1.00 49.11 C ATOM 109 CZ PHE 178 -6.337 50.175 56.915 1.00 49.11 C ATOM 110 C PHE 178 -6.597 43.890 55.813 1.00 49.11 C ATOM 111 O PHE 178 -7.298 43.102 56.447 1.00 49.11 O ATOM 112 N SER 179 -5.570 43.489 55.036 1.00 34.49 N ATOM 113 CA SER 179 -5.201 42.117 54.845 1.00 34.49 C ATOM 114 CB SER 179 -4.133 41.942 53.752 1.00 34.49 C ATOM 115 OG SER 179 -2.926 42.581 54.143 1.00 34.49 O ATOM 116 C SER 179 -4.640 41.549 56.113 1.00 34.49 C ATOM 117 O SER 179 -4.784 40.352 56.365 1.00 34.49 O ATOM 118 N ARG 180 -3.972 42.374 56.949 1.00 46.53 N ATOM 119 CA ARG 180 -3.383 41.789 58.122 1.00 46.53 C ATOM 120 CB ARG 180 -1.858 41.612 58.005 1.00 46.53 C ATOM 121 CG ARG 180 -1.477 40.552 56.963 1.00 46.53 C ATOM 122 CD ARG 180 -0.007 40.119 56.987 1.00 46.53 C ATOM 123 NE ARG 180 0.172 39.085 55.926 1.00 46.53 N ATOM 124 CZ ARG 180 -0.186 37.789 56.170 1.00 46.53 C ATOM 125 NH1 ARG 180 -0.740 37.446 57.369 1.00 46.53 N ATOM 126 NH2 ARG 180 -0.004 36.832 55.213 1.00 46.53 N ATOM 127 C ARG 180 -3.706 42.599 59.345 1.00 46.53 C ATOM 128 O ARG 180 -3.806 43.824 59.304 1.00 46.53 O ATOM 129 N SER 181 -3.879 41.892 60.483 1.00 31.72 N ATOM 130 CA SER 181 -4.277 42.470 61.737 1.00 31.72 C ATOM 131 CB SER 181 -4.549 41.416 62.825 1.00 31.72 C ATOM 132 OG SER 181 -3.347 40.743 63.164 1.00 31.72 O ATOM 133 C SER 181 -3.225 43.400 62.257 1.00 31.72 C ATOM 134 O SER 181 -3.547 44.424 62.856 1.00 31.72 O ATOM 135 N SER 182 -1.936 43.070 62.054 1.00 62.13 N ATOM 136 CA SER 182 -0.886 43.907 62.562 1.00 62.13 C ATOM 137 CB SER 182 0.518 43.343 62.274 1.00 62.13 C ATOM 138 OG SER 182 0.694 42.100 62.939 1.00 62.13 O ATOM 139 C SER 182 -0.988 45.237 61.886 1.00 62.13 C ATOM 140 O SER 182 -0.819 46.281 62.516 1.00 62.13 O ATOM 141 N ASP 183 -1.283 45.219 60.573 1.00 63.26 N ATOM 142 CA ASP 183 -1.381 46.421 59.795 1.00 63.26 C ATOM 143 CB ASP 183 -1.642 46.148 58.302 1.00 63.26 C ATOM 144 CG ASP 183 -1.480 47.461 57.543 1.00 63.26 C ATOM 145 OD1 ASP 183 -1.134 48.481 58.196 1.00 63.26 O ATOM 146 OD2 ASP 183 -1.703 47.461 56.302 1.00 63.26 O ATOM 147 C ASP 183 -2.530 47.228 60.313 1.00 63.26 C ATOM 148 O ASP 183 -2.468 48.456 60.363 1.00 63.26 O ATOM 149 N LEU 184 -3.624 46.551 60.713 1.00 36.92 N ATOM 150 CA LEU 184 -4.778 47.242 61.209 1.00 36.92 C ATOM 151 CB LEU 184 -5.939 46.297 61.560 0.50 36.92 C ATOM 152 CG LEU 184 -7.175 47.028 62.118 0.50 36.92 C ATOM 153 CD1 LEU 184 -7.717 48.044 61.103 0.50 36.92 C ATOM 154 CD2 LEU 184 -8.250 46.042 62.598 0.50 36.92 C ATOM 155 C LEU 184 -4.398 47.977 62.457 1.00 36.92 C ATOM 156 O LEU 184 -4.787 49.128 62.649 1.00 36.92 O ATOM 157 N ASN 185 -3.606 47.336 63.335 1.00 30.86 N ATOM 158 CA ASN 185 -3.267 47.960 64.580 1.00 30.86 C ATOM 159 CB ASN 185 -2.411 47.059 65.483 1.00 30.86 C ATOM 160 CG ASN 185 -3.311 45.944 65.995 1.00 30.86 C ATOM 161 OD1 ASN 185 -4.427 46.190 66.451 1.00 30.86 O ATOM 162 ND2 ASN 185 -2.816 44.680 65.917 1.00 30.86 N ATOM 163 C ASN 185 -2.500 49.223 64.337 1.00 30.86 C ATOM 164 O ASN 185 -2.803 50.257 64.930 1.00 30.86 O ATOM 165 N LEU 186 -1.496 49.183 63.442 1.00124.45 N ATOM 166 CA LEU 186 -0.691 50.348 63.206 1.00124.45 C ATOM 167 CB LEU 186 0.522 50.073 62.287 1.00124.45 C ATOM 168 CG LEU 186 0.209 49.621 60.844 1.00124.45 C ATOM 169 CD1 LEU 186 -0.337 50.771 59.983 1.00124.45 C ATOM 170 CD2 LEU 186 1.426 48.934 60.205 1.00124.45 C ATOM 171 C LEU 186 -1.556 51.414 62.614 1.00124.45 C ATOM 172 O LEU 186 -1.396 52.596 62.915 1.00124.45 O ATOM 173 N HIS 187 -2.514 51.012 61.760 1.00 46.75 N ATOM 174 CA HIS 187 -3.378 51.932 61.081 1.00 46.75 C ATOM 175 ND1 HIS 187 -5.135 52.929 58.439 1.00 46.75 N ATOM 176 CG HIS 187 -5.386 52.129 59.532 1.00 46.75 C ATOM 177 CB HIS 187 -4.383 51.211 60.166 1.00 46.75 C ATOM 178 NE2 HIS 187 -7.252 53.292 59.020 1.00 46.75 N ATOM 179 CD2 HIS 187 -6.683 52.363 59.873 1.00 46.75 C ATOM 180 CE1 HIS 187 -6.284 53.602 58.176 1.00 46.75 C ATOM 181 C HIS 187 -4.181 52.719 62.064 1.00 46.75 C ATOM 182 O HIS 187 -4.280 53.940 61.956 1.00 46.75 O ATOM 183 N MET 188 -4.775 52.048 63.063 1.00 63.78 N ATOM 184 CA MET 188 -5.630 52.760 63.966 1.00 63.78 C ATOM 185 CB MET 188 -6.333 51.855 64.987 1.00 63.78 C ATOM 186 CG MET 188 -7.386 50.943 64.361 1.00 63.78 C ATOM 187 SD MET 188 -8.300 49.944 65.571 1.00 63.78 S ATOM 188 CE MET 188 -6.873 48.921 66.032 1.00 63.78 C ATOM 189 C MET 188 -4.845 53.775 64.726 1.00 63.78 C ATOM 190 O MET 188 -5.310 54.896 64.929 1.00 63.78 O ATOM 191 N ARG 189 -3.627 53.412 65.163 1.00 94.11 N ATOM 192 CA ARG 189 -2.857 54.324 65.953 1.00 94.11 C ATOM 193 CB ARG 189 -1.463 53.785 66.311 1.00 94.11 C ATOM 194 CG ARG 189 -0.798 54.546 67.459 1.00 94.11 C ATOM 195 CD ARG 189 -1.423 54.236 68.822 1.00 94.11 C ATOM 196 NE ARG 189 -0.749 55.084 69.844 1.00 94.11 N ATOM 197 CZ ARG 189 -0.783 54.709 71.156 1.00 94.11 C ATOM 198 NH1 ARG 189 -1.376 53.531 71.509 1.00 94.11 N ATOM 199 NH2 ARG 189 -0.220 55.508 72.109 1.00 94.11 N ATOM 200 C ARG 189 -2.672 55.611 65.155 1.00 94.11 C ATOM 201 O ARG 189 -2.448 56.677 65.791 1.00 94.11 O ATOM 202 OXT ARG 189 -2.760 55.547 63.901 1.00 94.11 O