EXPDTA THEORETICAL MODEL, MODELLER 9.19 2017/10/25 11:59:38 REMARK 6 MODELLER OBJECTIVE FUNCTION: 102.1838 REMARK 6 MODELLER BEST TEMPLATE % SEQ ID: 47.826 REMARK 6 SEQUENCE: model REMARK 6 ALIGNMENT: alignment.pir REMARK 6 DOPE score: -1464.29785 REMARK 6 GA341 score: 0.89091 REMARK 6 Normalized DOPE score: -0.02476 REMARK 6 TEMPLATE: 1llmC01 101:C - 123:C MODELS 1: - 23: AT 47.8% ATOM 1 N GLU 165 -2.769 46.388 74.264 1.00 29.15 N ATOM 2 CA GLU 165 -2.205 45.824 73.021 1.00 29.15 C ATOM 3 CB GLU 165 -2.991 44.564 72.617 1.00 29.15 C ATOM 4 CG GLU 165 -2.313 43.733 71.528 1.00 29.15 C ATOM 5 CD GLU 165 -3.042 42.401 71.461 1.00 29.15 C ATOM 6 OE1 GLU 165 -4.222 42.358 71.900 1.00 29.15 O ATOM 7 OE2 GLU 165 -2.431 41.410 70.977 1.00 29.15 O ATOM 8 C GLU 165 -2.277 46.852 71.943 1.00 29.15 C ATOM 9 O GLU 165 -1.372 47.675 71.805 1.00 29.15 O ATOM 10 N LYS 166 -3.354 46.826 71.134 1.00107.63 N ATOM 11 CA LYS 166 -3.500 47.845 70.135 1.00107.63 C ATOM 12 CB LYS 166 -3.806 47.302 68.724 1.00107.63 C ATOM 13 CG LYS 166 -2.686 46.455 68.116 1.00107.63 C ATOM 14 CD LYS 166 -2.464 45.138 68.861 1.00107.63 C ATOM 15 CE LYS 166 -1.470 44.193 68.182 1.00107.63 C ATOM 16 NZ LYS 166 -0.117 44.387 68.751 1.00107.63 N ATOM 17 C LYS 166 -4.683 48.673 70.537 1.00107.63 C ATOM 18 O LYS 166 -5.823 48.362 70.204 1.00107.63 O ATOM 19 N PRO 167 -4.426 49.719 71.265 1.00 81.38 N ATOM 20 CA PRO 167 -5.459 50.609 71.730 1.00 81.38 C ATOM 21 CD PRO 167 -3.224 49.798 72.076 1.00 81.38 C ATOM 22 CB PRO 167 -4.865 51.358 72.924 1.00 81.38 C ATOM 23 CG PRO 167 -3.344 51.151 72.794 1.00 81.38 C ATOM 24 C PRO 167 -6.047 51.547 70.716 1.00 81.38 C ATOM 25 O PRO 167 -7.114 52.094 70.992 1.00 81.38 O ATOM 26 N PHE 168 -5.403 51.768 69.555 1.00120.80 N ATOM 27 CA PHE 168 -5.910 52.814 68.712 1.00120.80 C ATOM 28 CB PHE 168 -4.780 53.701 68.177 1.00120.80 C ATOM 29 CG PHE 168 -3.990 54.084 69.382 1.00120.80 C ATOM 30 CD1 PHE 168 -4.344 55.163 70.158 1.00120.80 C ATOM 31 CD2 PHE 168 -2.901 53.327 69.750 1.00120.80 C ATOM 32 CE1 PHE 168 -3.606 55.495 71.269 1.00120.80 C ATOM 33 CE2 PHE 168 -2.160 53.655 70.859 1.00120.80 C ATOM 34 CZ PHE 168 -2.512 54.742 71.621 1.00120.80 C ATOM 35 C PHE 168 -6.623 52.213 67.544 1.00120.80 C ATOM 36 O PHE 168 -6.065 51.390 66.822 1.00120.80 O ATOM 37 N THR 169 -7.877 52.645 67.296 1.00101.48 N ATOM 38 CA THR 169 -8.619 52.025 66.236 1.00101.48 C ATOM 39 CB THR 169 -9.918 51.430 66.681 0.50101.48 C ATOM 40 OG1 THR 169 -10.470 50.641 65.637 1.00101.48 O ATOM 41 CG2 THR 169 -10.875 52.573 67.060 1.00101.48 C ATOM 42 C THR 169 -8.951 53.010 65.161 1.00101.48 C ATOM 43 O THR 169 -9.202 54.188 65.415 1.00101.48 O ATOM 44 N CYS 170 -8.969 52.518 63.905 1.00 39.39 N ATOM 45 CA CYS 170 -9.292 53.338 62.775 1.00 39.39 C ATOM 46 CB CYS 170 -8.621 52.865 61.472 1.00 39.39 C ATOM 47 SG CYS 170 -9.020 53.907 60.036 1.00 39.39 S ATOM 48 C CYS 170 -10.775 53.261 62.591 1.00 39.39 C ATOM 49 O CYS 170 -11.369 52.184 62.616 1.00 39.39 O ATOM 50 N THR 171 -11.415 54.428 62.414 1.00109.21 N ATOM 51 CA THR 171 -12.841 54.493 62.302 1.00109.21 C ATOM 52 CB THR 171 -13.342 55.900 62.294 1.00109.21 C ATOM 53 OG1 THR 171 -14.761 55.907 62.321 1.00109.21 O ATOM 54 CG2 THR 171 -12.825 56.598 61.027 1.00109.21 C ATOM 55 C THR 171 -13.344 53.823 61.054 1.00109.21 C ATOM 56 O THR 171 -14.402 53.193 61.078 1.00109.21 O ATOM 57 N GLN 172 -12.648 53.992 59.909 1.00112.60 N ATOM 58 CA GLN 172 -13.164 53.404 58.700 1.00112.60 C ATOM 59 CB GLN 172 -12.335 53.783 57.463 1.00112.60 C ATOM 60 CG GLN 172 -12.822 53.116 56.171 1.00112.60 C ATOM 61 CD GLN 172 -11.714 53.233 55.135 1.00112.60 C ATOM 62 OE1 GLN 172 -10.568 52.862 55.388 1.00112.60 O ATOM 63 NE2 GLN 172 -12.057 53.769 53.935 1.00112.60 N ATOM 64 C GLN 172 -13.129 51.902 58.726 1.00112.60 C ATOM 65 O GLN 172 -14.170 51.246 58.668 1.00112.60 O ATOM 66 N CYS 173 -11.908 51.329 58.819 1.00 61.51 N ATOM 67 CA CYS 173 -11.662 49.907 58.789 1.00 61.51 C ATOM 68 CB CYS 173 -10.198 49.567 58.460 1.00 61.51 C ATOM 69 SG CYS 173 -9.012 50.353 59.591 1.00 61.51 S ATOM 70 C CYS 173 -12.014 49.253 60.089 1.00 61.51 C ATOM 71 O CYS 173 -12.495 48.121 60.123 1.00 61.51 O ATOM 72 N ARG 174 -11.798 49.983 61.197 1.00141.17 N ATOM 73 CA ARG 174 -11.998 49.511 62.538 1.00141.17 C ATOM 74 CB ARG 174 -13.310 48.736 62.730 1.00141.17 C ATOM 75 CG ARG 174 -14.549 49.537 62.341 1.00141.17 C ATOM 76 CD ARG 174 -15.845 48.957 62.903 1.00141.17 C ATOM 77 NE ARG 174 -15.858 47.490 62.644 1.00141.17 N ATOM 78 CZ ARG 174 -16.727 46.710 63.349 1.00141.17 C ATOM 79 NH1 ARG 174 -17.589 47.292 64.234 1.00141.17 N ATOM 80 NH2 ARG 174 -16.732 45.356 63.178 1.00141.17 N ATOM 81 C ARG 174 -10.874 48.604 62.953 1.00141.17 C ATOM 82 O ARG 174 -11.000 47.877 63.938 1.00141.17 O ATOM 83 N LYS 175 -9.726 48.638 62.244 1.00121.21 N ATOM 84 CA LYS 175 -8.594 47.857 62.674 1.00121.21 C ATOM 85 CB LYS 175 -7.551 47.587 61.574 1.00121.21 C ATOM 86 CG LYS 175 -6.339 46.799 62.077 1.00121.21 C ATOM 87 CD LYS 175 -5.493 46.158 60.973 1.00121.21 C ATOM 88 CE LYS 175 -5.459 46.938 59.657 1.00121.21 C ATOM 89 NZ LYS 175 -6.691 46.660 58.880 1.00121.21 N ATOM 90 C LYS 175 -7.914 48.594 63.794 1.00121.21 C ATOM 91 O LYS 175 -7.976 49.819 63.872 1.00121.21 O ATOM 92 N SER 176 -7.241 47.849 64.701 1.00 90.44 N ATOM 93 CA SER 176 -6.612 48.465 65.843 1.00 90.44 C ATOM 94 CB SER 176 -6.912 47.754 67.177 1.00 90.44 C ATOM 95 OG SER 176 -6.341 46.453 67.190 1.00 90.44 O ATOM 96 C SER 176 -5.128 48.443 65.653 1.00 90.44 C ATOM 97 O SER 176 -4.588 47.571 64.977 1.00 90.44 O ATOM 98 N PHE 177 -4.428 49.432 66.251 1.00140.47 N ATOM 99 CA PHE 177 -3.011 49.546 66.072 1.00140.47 C ATOM 100 CB PHE 177 -2.643 50.734 65.172 1.00140.47 C ATOM 101 CG PHE 177 -3.280 50.510 63.844 1.00140.47 C ATOM 102 CD1 PHE 177 -2.629 49.808 62.858 1.00140.47 C ATOM 103 CD2 PHE 177 -4.541 51.000 63.594 1.00140.47 C ATOM 104 CE1 PHE 177 -3.228 49.604 61.641 1.00140.47 C ATOM 105 CE2 PHE 177 -5.144 50.798 62.374 1.00140.47 C ATOM 106 CZ PHE 177 -4.485 50.099 61.393 1.00140.47 C ATOM 107 C PHE 177 -2.367 49.777 67.410 1.00140.47 C ATOM 108 O PHE 177 -2.964 50.349 68.320 1.00140.47 O ATOM 109 N SER 178 -1.113 49.302 67.557 1.00 83.16 N ATOM 110 CA SER 178 -0.352 49.432 68.769 1.00 83.16 C ATOM 111 CB SER 178 0.910 48.555 68.777 1.00 83.16 C ATOM 112 OG SER 178 0.539 47.186 68.773 1.00 83.16 O ATOM 113 C SER 178 0.097 50.850 68.955 1.00 83.16 C ATOM 114 O SER 178 0.319 51.286 70.084 1.00 83.16 O ATOM 115 N LYS 179 0.254 51.617 67.859 1.00 87.25 N ATOM 116 CA LYS 179 0.798 52.937 68.020 1.00 87.25 C ATOM 117 CB LYS 179 2.141 53.117 67.292 1.00 87.25 C ATOM 118 CG LYS 179 3.253 52.218 67.838 1.00 87.25 C ATOM 119 CD LYS 179 4.466 52.102 66.912 1.00 87.25 C ATOM 120 CE LYS 179 5.539 53.166 67.160 1.00 87.25 C ATOM 121 NZ LYS 179 5.044 54.502 66.756 1.00 87.25 N ATOM 122 C LYS 179 -0.139 53.957 67.453 1.00 87.25 C ATOM 123 O LYS 179 -0.716 53.771 66.383 1.00 87.25 O ATOM 124 N SER 180 -0.292 55.086 68.173 1.00 66.52 N ATOM 125 CA SER 180 -1.160 56.141 67.745 1.00 66.52 C ATOM 126 CB SER 180 -1.321 57.247 68.799 1.00 66.52 C ATOM 127 OG SER 180 -2.190 58.256 68.309 1.00 66.52 O ATOM 128 C SER 180 -0.606 56.768 66.506 1.00 66.52 C ATOM 129 O SER 180 -1.361 57.183 65.628 1.00 66.52 O ATOM 130 N SER 181 0.734 56.860 66.397 1.00 22.71 N ATOM 131 CA SER 181 1.340 57.485 65.252 1.00 22.71 C ATOM 132 CB SER 181 2.875 57.561 65.348 1.00 22.71 C ATOM 133 OG SER 181 3.425 56.251 65.365 1.00 22.71 O ATOM 134 C SER 181 1.004 56.673 64.045 1.00 22.71 C ATOM 135 O SER 181 0.719 57.219 62.979 1.00 22.71 O ATOM 136 N LEU 182 1.025 55.335 64.191 1.00 36.45 N ATOM 137 CA LEU 182 0.732 54.457 63.096 1.00 36.45 C ATOM 138 CB LEU 182 0.920 52.967 63.436 1.00 36.45 C ATOM 139 CG LEU 182 2.389 52.574 63.688 1.00 36.45 C ATOM 140 CD1 LEU 182 2.526 51.063 63.947 1.00 36.45 C ATOM 141 CD2 LEU 182 3.310 53.084 62.565 1.00 36.45 C ATOM 142 C LEU 182 -0.692 54.657 62.696 1.00 36.45 C ATOM 143 O LEU 182 -1.022 54.599 61.513 1.00 36.45 O ATOM 144 N LEU 183 -1.579 54.895 63.680 1.00 47.90 N ATOM 145 CA LEU 183 -2.971 55.076 63.396 1.00 47.90 C ATOM 146 CB LEU 183 -3.792 55.377 64.661 0.50 47.90 C ATOM 147 CG LEU 183 -5.270 55.697 64.372 0.50 47.90 C ATOM 148 CD1 LEU 183 -6.017 54.476 63.806 0.50 47.90 C ATOM 149 CD2 LEU 183 -5.951 56.321 65.603 0.50 47.90 C ATOM 150 C LEU 183 -3.118 56.261 62.500 1.00 47.90 C ATOM 151 O LEU 183 -3.860 56.221 61.520 1.00 47.90 O ATOM 152 N TYR 184 -2.384 57.346 62.802 1.00130.18 N ATOM 153 CA TYR 184 -2.534 58.563 62.059 1.00130.18 C ATOM 154 CB TYR 184 -1.633 59.690 62.600 1.00130.18 C ATOM 155 CG TYR 184 -1.990 60.963 61.906 1.00130.18 C ATOM 156 CD1 TYR 184 -3.141 61.629 62.255 1.00130.18 C ATOM 157 CD2 TYR 184 -1.185 61.506 60.929 1.00130.18 C ATOM 158 CE1 TYR 184 -3.494 62.807 61.641 1.00130.18 C ATOM 159 CE2 TYR 184 -1.531 62.686 60.309 1.00130.18 C ATOM 160 CZ TYR 184 -2.690 63.335 60.663 1.00130.18 C ATOM 161 OH TYR 184 -3.049 64.543 60.030 1.00130.18 O ATOM 162 C TYR 184 -2.143 58.331 60.634 1.00130.18 C ATOM 163 O TYR 184 -2.871 58.707 59.716 1.00130.18 O ATOM 164 N THR 185 -0.983 57.686 60.411 1.00 25.10 N ATOM 165 CA THR 185 -0.501 57.460 59.077 1.00 25.10 C ATOM 166 CB THR 185 0.867 56.835 59.032 1.00 25.10 C ATOM 167 OG1 THR 185 0.830 55.521 59.567 1.00 25.10 O ATOM 168 CG2 THR 185 1.842 57.706 59.843 1.00 25.10 C ATOM 169 C THR 185 -1.433 56.523 58.381 1.00 25.10 C ATOM 170 O THR 185 -1.746 56.697 57.204 1.00 25.10 O ATOM 171 N HIS 186 -1.917 55.504 59.115 1.00 44.81 N ATOM 172 CA HIS 186 -2.756 54.491 58.554 1.00 44.81 C ATOM 173 ND1 HIS 186 -3.377 51.133 58.555 1.00 44.81 N ATOM 174 CG HIS 186 -3.954 52.302 59.000 1.00 44.81 C ATOM 175 CB HIS 186 -3.183 53.441 59.594 1.00 44.81 C ATOM 176 NE2 HIS 186 -5.567 50.935 58.219 1.00 44.81 N ATOM 177 CD2 HIS 186 -5.291 52.166 58.786 1.00 44.81 C ATOM 178 CE1 HIS 186 -4.388 50.351 58.099 1.00 44.81 C ATOM 179 C HIS 186 -3.994 55.131 58.022 1.00 44.81 C ATOM 180 O HIS 186 -4.447 54.768 56.938 1.00 44.81 O ATOM 181 N MET 187 -4.555 56.101 58.780 1.00 62.72 N ATOM 182 CA MET 187 -5.755 56.801 58.407 1.00 62.72 C ATOM 183 CB MET 187 -5.982 58.102 59.198 1.00 62.72 C ATOM 184 CG MET 187 -6.395 57.900 60.653 1.00 62.72 C ATOM 185 SD MET 187 -8.104 57.314 60.861 1.00 62.72 S ATOM 186 CE MET 187 -8.185 57.739 62.624 1.00 62.72 C ATOM 187 C MET 187 -5.675 57.199 56.944 1.00 62.72 C ATOM 188 O MET 187 -4.821 58.062 56.616 1.00 62.72 O ATOM 189 OXT MET 187 -6.461 56.642 56.134 1.00 62.72 O