EXPDTA THEORETICAL MODEL, MODELLER 9.19 2017/10/25 12:16:41 REMARK 6 MODELLER OBJECTIVE FUNCTION: 103.9953 REMARK 6 MODELLER BEST TEMPLATE % SEQ ID: 52.000 REMARK 6 SEQUENCE: model REMARK 6 ALIGNMENT: alignment.pir REMARK 6 DOPE score: -1599.82361 REMARK 6 GA341 score: 0.83488 REMARK 6 Normalized DOPE score: -0.80971 REMARK 6 TEMPLATE: 2i13A02 75:A - 99:A MODELS 1: - 25: AT 52.0% ATOM 1 N GLU 147 -4.973 34.489 47.744 1.00 30.87 N ATOM 2 CA GLU 147 -4.351 34.471 49.085 1.00 30.87 C ATOM 3 CB GLU 147 -5.247 35.201 50.106 1.00 30.87 C ATOM 4 CG GLU 147 -4.580 35.452 51.464 1.00 30.87 C ATOM 5 CD GLU 147 -5.631 35.989 52.430 1.00 30.87 C ATOM 6 OE1 GLU 147 -6.256 37.033 52.102 1.00 30.87 O ATOM 7 OE2 GLU 147 -5.826 35.361 53.506 1.00 30.87 O ATOM 8 C GLU 147 -4.163 33.064 49.544 1.00 30.87 C ATOM 9 O GLU 147 -4.484 32.113 48.832 1.00 30.87 O ATOM 10 N LYS 148 -3.599 32.901 50.753 1.00 90.87 N ATOM 11 CA LYS 148 -3.411 31.586 51.282 1.00 90.87 C ATOM 12 CB LYS 148 -1.962 31.324 51.722 1.00 90.87 C ATOM 13 CG LYS 148 -0.936 31.590 50.618 1.00 90.87 C ATOM 14 CD LYS 148 -0.822 33.075 50.267 1.00 90.87 C ATOM 15 CE LYS 148 0.136 33.390 49.117 1.00 90.87 C ATOM 16 NZ LYS 148 0.094 34.839 48.821 1.00 90.87 N ATOM 17 C LYS 148 -4.259 31.525 52.510 1.00 90.87 C ATOM 18 O LYS 148 -3.903 32.054 53.563 1.00 90.87 O ATOM 19 N PRO 149 -5.396 30.916 52.360 1.00112.60 N ATOM 20 CA PRO 149 -6.339 30.779 53.437 1.00112.60 C ATOM 21 CD PRO 149 -6.046 30.867 51.063 1.00112.60 C ATOM 22 CB PRO 149 -7.693 30.490 52.786 1.00112.60 C ATOM 23 CG PRO 149 -7.358 30.115 51.332 1.00112.60 C ATOM 24 C PRO 149 -5.984 29.789 54.503 1.00112.60 C ATOM 25 O PRO 149 -6.559 29.890 55.587 1.00112.60 O ATOM 26 N SER 150 -5.067 28.832 54.243 1.00 50.84 N ATOM 27 CA SER 150 -4.797 27.810 55.220 1.00 50.84 C ATOM 28 CB SER 150 -4.441 26.447 54.600 1.00 50.84 C ATOM 29 OG SER 150 -5.510 25.966 53.799 1.00 50.84 O ATOM 30 C SER 150 -3.598 28.214 56.012 1.00 50.84 C ATOM 31 O SER 150 -2.517 28.397 55.456 1.00 50.84 O ATOM 32 N THR 151 -3.763 28.308 57.348 1.00103.21 N ATOM 33 CA THR 151 -2.706 28.748 58.214 1.00103.21 C ATOM 34 CB THR 151 -3.139 29.883 59.096 1.00103.21 C ATOM 35 OG1 THR 151 -2.057 30.335 59.893 1.00103.21 O ATOM 36 CG2 THR 151 -4.297 29.390 59.983 1.00103.21 C ATOM 37 C THR 151 -2.293 27.618 59.114 1.00103.21 C ATOM 38 O THR 151 -3.129 26.921 59.681 1.00103.21 O ATOM 39 N CYS 152 -0.963 27.409 59.249 1.00 42.90 N ATOM 40 CA CYS 152 -0.445 26.382 60.109 1.00 42.90 C ATOM 41 CB CYS 152 1.027 26.043 59.821 1.00 42.90 C ATOM 42 SG CYS 152 1.683 24.758 60.913 1.00 42.90 S ATOM 43 C CYS 152 -0.518 26.887 61.514 1.00 42.90 C ATOM 44 O CYS 152 -0.093 28.002 61.812 1.00 42.90 O ATOM 45 N SER 153 -1.046 26.056 62.431 1.00 76.33 N ATOM 46 CA SER 153 -1.215 26.453 63.799 1.00 76.33 C ATOM 47 CB SER 153 -1.886 25.364 64.654 1.00 76.33 C ATOM 48 OG SER 153 -1.862 25.737 66.024 1.00 76.33 O ATOM 49 C SER 153 0.113 26.726 64.431 1.00 76.33 C ATOM 50 O SER 153 0.279 27.719 65.136 1.00 76.33 O ATOM 51 N GLN 154 1.087 25.816 64.241 1.00150.82 N ATOM 52 CA GLN 154 2.338 26.003 64.920 1.00150.82 C ATOM 53 CB GLN 154 3.198 24.734 64.904 1.00150.82 C ATOM 54 CG GLN 154 2.730 23.671 65.904 1.00150.82 C ATOM 55 CD GLN 154 1.288 23.282 65.598 1.00150.82 C ATOM 56 OE1 GLN 154 0.945 22.946 64.465 1.00150.82 O ATOM 57 NE2 GLN 154 0.415 23.330 66.641 1.00150.82 N ATOM 58 C GLN 154 3.184 27.132 64.396 1.00150.82 C ATOM 59 O GLN 154 3.524 28.046 65.147 1.00150.82 O ATOM 60 N CYS 155 3.564 27.089 63.102 1.00 63.05 N ATOM 61 CA CYS 155 4.446 28.078 62.531 1.00 63.05 C ATOM 62 CB CYS 155 5.193 27.581 61.285 1.00 63.05 C ATOM 63 SG CYS 155 4.072 27.146 59.930 1.00 63.05 S ATOM 64 C CYS 155 3.744 29.355 62.183 1.00 63.05 C ATOM 65 O CYS 155 4.310 30.439 62.322 1.00 63.05 O ATOM 66 N GLY 156 2.492 29.267 61.700 1.00 27.06 N ATOM 67 CA GLY 156 1.795 30.453 61.303 1.00 27.06 C ATOM 68 C GLY 156 1.992 30.659 59.829 1.00 27.06 C ATOM 69 O GLY 156 1.576 31.681 59.287 1.00 27.06 O ATOM 70 N LYS 157 2.638 29.695 59.137 1.00 93.96 N ATOM 71 CA LYS 157 2.869 29.812 57.722 1.00 93.96 C ATOM 72 CB LYS 157 3.939 28.832 57.220 1.00 93.96 C ATOM 73 CG LYS 157 4.487 29.203 55.846 1.00 93.96 C ATOM 74 CD LYS 157 5.816 28.527 55.518 1.00 93.96 C ATOM 75 CE LYS 157 6.548 29.206 54.363 1.00 93.96 C ATOM 76 NZ LYS 157 6.756 30.633 54.688 1.00 93.96 N ATOM 77 C LYS 157 1.580 29.545 56.999 1.00 93.96 C ATOM 78 O LYS 157 0.782 28.711 57.427 1.00 93.96 O ATOM 79 N SER 158 1.347 30.250 55.867 1.00 52.72 N ATOM 80 CA SER 158 0.090 30.127 55.174 1.00 52.72 C ATOM 81 CB SER 158 -0.559 31.489 54.864 1.00 52.72 C ATOM 82 OG SER 158 -0.856 32.181 56.067 1.00 52.72 O ATOM 83 C SER 158 0.294 29.436 53.855 1.00 52.72 C ATOM 84 O SER 158 1.355 29.536 53.240 1.00 52.72 O ATOM 85 N PHE 159 -0.747 28.706 53.394 1.00147.04 N ATOM 86 CA PHE 159 -0.661 27.943 52.178 1.00147.04 C ATOM 87 CB PHE 159 -0.610 26.427 52.436 1.00147.04 C ATOM 88 CG PHE 159 0.681 26.161 53.126 1.00147.04 C ATOM 89 CD1 PHE 159 0.784 26.319 54.489 1.00147.04 C ATOM 90 CD2 PHE 159 1.787 25.779 52.403 1.00147.04 C ATOM 91 CE1 PHE 159 1.979 26.081 55.129 1.00147.04 C ATOM 92 CE2 PHE 159 2.984 25.539 53.040 1.00147.04 C ATOM 93 CZ PHE 159 3.082 25.693 54.402 1.00147.04 C ATOM 94 C PHE 159 -1.880 28.188 51.349 1.00147.04 C ATOM 95 O PHE 159 -2.955 28.501 51.861 1.00147.04 O ATOM 96 N SER 160 -1.717 28.065 50.018 1.00 40.73 N ATOM 97 CA SER 160 -2.795 28.245 49.094 1.00 40.73 C ATOM 98 CB SER 160 -2.310 28.421 47.643 1.00 40.73 C ATOM 99 OG SER 160 -1.585 27.276 47.225 1.00 40.73 O ATOM 100 C SER 160 -3.748 27.085 49.164 1.00 40.73 C ATOM 101 O SER 160 -4.936 27.254 48.892 1.00 40.73 O ATOM 102 N CYS 161 -3.278 25.869 49.522 1.00 36.11 N ATOM 103 CA CYS 161 -4.212 24.771 49.530 1.00 36.11 C ATOM 104 CB CYS 161 -4.032 23.802 48.348 1.00 36.11 C ATOM 105 SG CYS 161 -4.476 24.579 46.764 1.00 36.11 S ATOM 106 C CYS 161 -4.092 23.970 50.795 1.00 36.11 C ATOM 107 O CYS 161 -3.034 23.898 51.416 1.00 36.11 O ATOM 108 N LEU 162 -5.211 23.324 51.188 1.00 40.01 N ATOM 109 CA LEU 162 -5.302 22.527 52.380 1.00 40.01 C ATOM 110 CB LEU 162 -6.695 21.900 52.584 1.00 40.01 C ATOM 111 CG LEU 162 -7.788 22.888 53.020 1.00 40.01 C ATOM 112 CD1 LEU 162 -9.132 22.167 53.195 1.00 40.01 C ATOM 113 CD2 LEU 162 -7.374 23.644 54.293 1.00 40.01 C ATOM 114 C LEU 162 -4.354 21.375 52.287 1.00 40.01 C ATOM 115 O LEU 162 -3.670 21.046 53.255 1.00 40.01 O ATOM 116 N SER 163 -4.282 20.733 51.110 1.00 64.25 N ATOM 117 CA SER 163 -3.484 19.549 50.967 1.00 64.25 C ATOM 118 CB SER 163 -3.548 18.974 49.542 1.00 64.25 C ATOM 119 OG SER 163 -4.893 18.653 49.212 1.00 64.25 O ATOM 120 C SER 163 -2.056 19.886 51.253 1.00 64.25 C ATOM 121 O SER 163 -1.350 19.127 51.917 1.00 64.25 O ATOM 122 N HIS 164 -1.596 21.048 50.757 1.00 35.15 N ATOM 123 CA HIS 164 -0.228 21.435 50.938 1.00 35.15 C ATOM 124 ND1 HIS 164 -1.101 22.628 47.984 1.00 35.15 N ATOM 125 CG HIS 164 0.068 22.623 48.712 1.00 35.15 C ATOM 126 CB HIS 164 0.127 22.745 50.207 1.00 35.15 C ATOM 127 NE2 HIS 164 0.562 22.417 46.521 1.00 35.15 N ATOM 128 CD2 HIS 164 1.073 22.494 47.806 1.00 35.15 C ATOM 129 CE1 HIS 164 -0.747 22.502 46.679 1.00 35.15 C ATOM 130 C HIS 164 0.035 21.644 52.395 1.00 35.15 C ATOM 131 O HIS 164 1.062 21.208 52.913 1.00 35.15 O ATOM 132 N LEU 165 -0.883 22.318 53.110 1.00 67.25 N ATOM 133 CA LEU 165 -0.609 22.580 54.491 1.00 67.25 C ATOM 134 CB LEU 165 -1.631 23.482 55.190 1.00 67.25 C ATOM 135 CG LEU 165 -1.251 23.703 56.664 1.00 67.25 C ATOM 136 CD1 LEU 165 0.146 24.332 56.771 1.00 67.25 C ATOM 137 CD2 LEU 165 -2.313 24.514 57.411 1.00 67.25 C ATOM 138 C LEU 165 -0.555 21.289 55.246 1.00 67.25 C ATOM 139 O LEU 165 0.250 21.130 56.162 1.00 67.25 O ATOM 140 N ASN 166 -1.410 20.319 54.871 1.00 68.37 N ATOM 141 CA ASN 166 -1.491 19.078 55.586 1.00 68.37 C ATOM 142 CB ASN 166 -2.489 18.097 54.941 1.00 68.37 C ATOM 143 CG ASN 166 -2.699 16.919 55.881 1.00 68.37 C ATOM 144 OD1 ASN 166 -1.753 16.382 56.454 1.00 68.37 O ATOM 145 ND2 ASN 166 -3.981 16.498 56.043 1.00 68.37 N ATOM 146 C ASN 166 -0.144 18.429 55.582 1.00 68.37 C ATOM 147 O ASN 166 0.325 17.956 56.619 1.00 68.37 O ATOM 148 N LYS 167 0.533 18.387 54.423 1.00 93.57 N ATOM 149 CA LYS 167 1.815 17.748 54.401 1.00 93.57 C ATOM 150 CB LYS 167 2.406 17.580 52.991 1.00 93.57 C ATOM 151 CG LYS 167 3.467 16.478 52.929 1.00 93.57 C ATOM 152 CD LYS 167 3.785 16.005 51.510 1.00 93.57 C ATOM 153 CE LYS 167 4.516 14.661 51.469 1.00 93.57 C ATOM 154 NZ LYS 167 5.757 14.731 52.274 1.00 93.57 N ATOM 155 C LYS 167 2.759 18.565 55.230 1.00 93.57 C ATOM 156 O LYS 167 3.620 18.025 55.924 1.00 93.57 O ATOM 157 N HIS 168 2.594 19.901 55.183 1.00 59.13 N ATOM 158 CA HIS 168 3.433 20.837 55.880 1.00 59.13 C ATOM 159 ND1 HIS 168 4.915 23.788 56.329 1.00 59.13 N ATOM 160 CG HIS 168 3.659 23.271 56.556 1.00 59.13 C ATOM 161 CB HIS 168 2.959 22.287 55.668 1.00 59.13 C ATOM 162 NE2 HIS 168 4.204 24.670 58.243 1.00 59.13 N ATOM 163 CD2 HIS 168 3.237 23.823 57.727 1.00 59.13 C ATOM 164 CE1 HIS 168 5.193 24.617 57.368 1.00 59.13 C ATOM 165 C HIS 168 3.388 20.564 57.349 1.00 59.13 C ATOM 166 O HIS 168 4.422 20.531 58.008 1.00 59.13 O ATOM 167 N MET 169 2.182 20.315 57.892 1.00101.23 N ATOM 168 CA MET 169 2.065 20.096 59.304 1.00101.23 C ATOM 169 CB MET 169 0.624 19.799 59.758 1.00101.23 C ATOM 170 CG MET 169 -0.261 21.038 59.910 1.00101.23 C ATOM 171 SD MET 169 0.126 22.021 61.387 1.00101.23 S ATOM 172 CE MET 169 -1.335 23.098 61.316 1.00101.23 C ATOM 173 C MET 169 2.887 18.909 59.652 1.00101.23 C ATOM 174 O MET 169 3.523 18.869 60.705 1.00101.23 O ATOM 175 N ARG 170 2.908 17.911 58.761 1.00109.27 N ATOM 176 CA ARG 170 3.603 16.696 59.045 1.00109.27 C ATOM 177 CB ARG 170 3.427 15.664 57.920 1.00109.27 C ATOM 178 CG ARG 170 1.969 15.200 57.818 1.00109.27 C ATOM 179 CD ARG 170 1.747 14.022 56.874 1.00109.27 C ATOM 180 NE ARG 170 2.973 13.184 56.952 1.00109.27 N ATOM 181 CZ ARG 170 3.155 12.325 57.994 1.00109.27 C ATOM 182 NH1 ARG 170 2.229 12.250 58.993 1.00109.27 N ATOM 183 NH2 ARG 170 4.279 11.553 58.050 1.00109.27 N ATOM 184 C ARG 170 5.060 16.975 59.283 1.00109.27 C ATOM 185 O ARG 170 5.642 16.406 60.206 1.00109.27 O ATOM 186 N ILE 171 5.708 17.857 58.495 1.00111.82 N ATOM 187 CA ILE 171 7.106 18.070 58.755 1.00111.82 C ATOM 188 CB ILE 171 7.943 18.209 57.509 1.00111.82 C ATOM 189 CG1 ILE 171 7.568 19.445 56.668 1.00111.82 C ATOM 190 CG2 ILE 171 7.820 16.885 56.741 1.00111.82 C ATOM 191 CD1 ILE 171 8.152 20.760 57.185 1.00111.82 C ATOM 192 C ILE 171 7.297 19.319 59.604 1.00111.82 C ATOM 193 O ILE 171 8.340 19.395 60.308 1.00111.82 O ATOM 194 OXT ILE 171 6.413 20.217 59.558 1.00111.82 O