EXPDTA THEORETICAL MODEL, MODELLER 9.19 2017/10/25 12:11:29 REMARK 6 MODELLER OBJECTIVE FUNCTION: 114.1689 REMARK 6 MODELLER BEST TEMPLATE % SEQ ID: 50.000 REMARK 6 SEQUENCE: model REMARK 6 ALIGNMENT: alignment.pir REMARK 6 DOPE score: -1784.96155 REMARK 6 GA341 score: 0.92179 REMARK 6 Normalized DOPE score: -0.04897 REMARK 6 TEMPLATE: 2i13A02 75:A - 98:A MODELS 1: - 24: AT 50.0% ATOM 1 N GLU 199 -12.562 27.135 41.468 1.00 32.30 N ATOM 2 CA GLU 199 -12.102 28.310 42.249 1.00 32.30 C ATOM 3 CB GLU 199 -13.111 28.636 43.369 1.00 32.30 C ATOM 4 CG GLU 199 -12.957 30.030 43.992 1.00 32.30 C ATOM 5 CD GLU 199 -13.848 30.090 45.228 1.00 32.30 C ATOM 6 OE1 GLU 199 -15.010 29.609 45.149 1.00 32.30 O ATOM 7 OE2 GLU 199 -13.374 30.610 46.273 1.00 32.30 O ATOM 8 C GLU 199 -10.771 28.027 42.879 1.00 32.30 C ATOM 9 O GLU 199 -10.022 27.166 42.418 1.00 32.30 O ATOM 10 N LYS 200 -10.437 28.773 43.951 1.00110.26 N ATOM 11 CA LYS 200 -9.192 28.561 44.625 1.00110.26 C ATOM 12 CB LYS 200 -8.253 29.759 44.438 1.00110.26 C ATOM 13 CG LYS 200 -7.757 29.850 42.995 1.00110.26 C ATOM 14 CD LYS 200 -7.340 31.253 42.559 1.00110.26 C ATOM 15 CE LYS 200 -8.536 32.099 42.111 1.00110.26 C ATOM 16 NZ LYS 200 -9.326 31.364 41.096 1.00110.26 N ATOM 17 C LYS 200 -9.489 28.400 46.081 1.00110.26 C ATOM 18 O LYS 200 -9.651 29.366 46.824 1.00110.26 O ATOM 19 N PRO 201 -9.585 27.159 46.466 1.00118.75 N ATOM 20 CA PRO 201 -9.881 26.775 47.821 1.00118.75 C ATOM 21 CD PRO 201 -9.957 26.127 45.515 1.00118.75 C ATOM 22 CB PRO 201 -10.361 25.322 47.753 1.00118.75 C ATOM 23 CG PRO 201 -9.968 24.841 46.345 1.00118.75 C ATOM 24 C PRO 201 -8.775 26.979 48.812 1.00118.75 C ATOM 25 O PRO 201 -9.063 27.005 50.007 1.00118.75 O ATOM 26 N TYR 202 -7.510 27.128 48.380 1.00113.70 N ATOM 27 CA TYR 202 -6.481 27.197 49.378 1.00113.70 C ATOM 28 CB TYR 202 -5.312 26.244 49.097 1.00113.70 C ATOM 29 CG TYR 202 -5.860 24.865 49.252 1.00113.70 C ATOM 30 CD1 TYR 202 -6.448 24.210 48.193 1.00113.70 C ATOM 31 CD2 TYR 202 -5.800 24.230 50.470 1.00113.70 C ATOM 32 CE1 TYR 202 -6.956 22.940 48.347 1.00113.70 C ATOM 33 CE2 TYR 202 -6.303 22.962 50.636 1.00113.70 C ATOM 34 CZ TYR 202 -6.878 22.314 49.570 1.00113.70 C ATOM 35 OH TYR 202 -7.395 21.012 49.736 1.00113.70 O ATOM 36 C TYR 202 -5.946 28.587 49.443 1.00113.70 C ATOM 37 O TYR 202 -5.480 29.140 48.449 1.00113.70 O ATOM 38 N LYS 203 -6.001 29.177 50.652 1.00 65.38 N ATOM 39 CA LYS 203 -5.575 30.529 50.848 1.00 65.38 C ATOM 40 CB LYS 203 -6.643 31.387 51.542 1.00 65.38 C ATOM 41 CG LYS 203 -6.213 32.836 51.765 1.00 65.38 C ATOM 42 CD LYS 203 -7.372 33.744 52.163 1.00 65.38 C ATOM 43 CE LYS 203 -8.061 33.303 53.452 1.00 65.38 C ATOM 44 NZ LYS 203 -9.097 34.284 53.830 1.00 65.38 N ATOM 45 C LYS 203 -4.360 30.546 51.718 1.00 65.38 C ATOM 46 O LYS 203 -4.242 29.769 52.665 1.00 65.38 O ATOM 47 N CYS 204 -3.413 31.446 51.387 1.00 44.90 N ATOM 48 CA CYS 204 -2.216 31.603 52.157 1.00 44.90 C ATOM 49 CB CYS 204 -1.075 32.234 51.337 1.00 44.90 C ATOM 50 SG CYS 204 0.469 32.452 52.267 1.00 44.90 S ATOM 51 C CYS 204 -2.546 32.521 53.294 1.00 44.90 C ATOM 52 O CYS 204 -3.067 33.616 53.096 1.00 44.90 O ATOM 53 N SER 205 -2.252 32.095 54.533 1.00 76.16 N ATOM 54 CA SER 205 -2.576 32.914 55.664 1.00 76.16 C ATOM 55 CB SER 205 -2.397 32.185 57.010 1.00 76.16 C ATOM 56 OG SER 205 -3.404 31.198 57.170 1.00 76.16 O ATOM 57 C SER 205 -1.685 34.113 55.659 1.00 76.16 C ATOM 58 O SER 205 -2.048 35.174 56.167 1.00 76.16 O ATOM 59 N HIS 206 -0.477 33.954 55.094 1.00 60.07 N ATOM 60 CA HIS 206 0.517 34.983 55.099 1.00 60.07 C ATOM 61 ND1 HIS 206 3.395 36.393 54.068 1.00 60.07 N ATOM 62 CG HIS 206 3.022 35.349 54.884 1.00 60.07 C ATOM 63 CB HIS 206 1.867 34.439 54.611 1.00 60.07 C ATOM 64 NE2 HIS 206 4.833 36.363 55.763 1.00 60.07 N ATOM 65 CD2 HIS 206 3.910 35.345 55.913 1.00 60.07 C ATOM 66 CE1 HIS 206 4.483 36.965 54.641 1.00 60.07 C ATOM 67 C HIS 206 0.136 36.167 54.250 1.00 60.07 C ATOM 68 O HIS 206 0.220 37.302 54.715 1.00 60.07 O ATOM 69 N CYS 207 -0.313 35.961 52.991 1.00112.04 N ATOM 70 CA CYS 207 -0.516 37.126 52.168 1.00112.04 C ATOM 71 CB CYS 207 0.484 37.213 51.006 1.00112.04 C ATOM 72 SG CYS 207 0.252 35.870 49.806 1.00112.04 S ATOM 73 C CYS 207 -1.876 37.141 51.536 1.00112.04 C ATOM 74 O CYS 207 -2.155 38.037 50.739 1.00112.04 O ATOM 75 N ASP 208 -2.766 36.193 51.890 1.00116.38 N ATOM 76 CA ASP 208 -4.116 36.176 51.387 1.00116.38 C ATOM 77 CB ASP 208 -4.756 37.578 51.490 1.00116.38 C ATOM 78 CG ASP 208 -6.259 37.471 51.277 1.00116.38 C ATOM 79 OD1 ASP 208 -6.906 36.656 51.988 1.00116.38 O ATOM 80 OD2 ASP 208 -6.779 38.219 50.407 1.00116.38 O ATOM 81 C ASP 208 -4.209 35.730 49.944 1.00116.38 C ATOM 82 O ASP 208 -5.273 35.819 49.334 1.00116.38 O ATOM 83 N LEU 209 -3.135 35.181 49.346 1.00 62.31 N ATOM 84 CA LEU 209 -3.294 34.728 47.986 1.00 62.31 C ATOM 85 CB LEU 209 -1.971 34.506 47.223 1.00 62.31 C ATOM 86 CG LEU 209 -1.200 35.797 46.889 1.00 62.31 C ATOM 87 CD1 LEU 209 0.096 35.493 46.114 1.00 62.31 C ATOM 88 CD2 LEU 209 -2.108 36.803 46.162 1.00 62.31 C ATOM 89 C LEU 209 -4.021 33.409 47.996 1.00 62.31 C ATOM 90 O LEU 209 -3.859 32.612 48.918 1.00 62.31 O ATOM 91 N ARG 210 -4.843 33.130 46.955 1.00 67.02 N ATOM 92 CA ARG 210 -5.565 31.882 46.918 1.00 67.02 C ATOM 93 CB ARG 210 -7.090 32.057 46.789 1.00 67.02 C ATOM 94 CG ARG 210 -7.711 32.760 47.999 1.00 67.02 C ATOM 95 CD ARG 210 -9.234 32.878 47.944 1.00 67.02 C ATOM 96 NE ARG 210 -9.657 33.590 49.181 1.00 67.02 N ATOM 97 CZ ARG 210 -10.963 33.567 49.578 1.00 67.02 C ATOM 98 NH1 ARG 210 -11.888 32.855 48.872 1.00 67.02 N ATOM 99 NH2 ARG 210 -11.348 34.269 50.683 1.00 67.02 N ATOM 100 C ARG 210 -5.090 31.074 45.740 1.00 67.02 C ATOM 101 O ARG 210 -4.713 31.628 44.708 1.00 67.02 O ATOM 102 N PHE 211 -5.091 29.725 45.877 1.00142.61 N ATOM 103 CA PHE 211 -4.592 28.875 44.828 1.00142.61 C ATOM 104 CB PHE 211 -3.252 28.213 45.181 1.00142.61 C ATOM 105 CG PHE 211 -2.227 29.285 45.321 1.00142.61 C ATOM 106 CD1 PHE 211 -2.020 29.890 46.539 1.00142.61 C ATOM 107 CD2 PHE 211 -1.480 29.695 44.240 1.00142.61 C ATOM 108 CE1 PHE 211 -1.075 30.879 46.681 1.00142.61 C ATOM 109 CE2 PHE 211 -0.532 30.684 44.377 1.00142.61 C ATOM 110 CZ PHE 211 -0.330 31.279 45.599 1.00142.61 C ATOM 111 C PHE 211 -5.542 27.741 44.594 1.00142.61 C ATOM 112 O PHE 211 -6.263 27.300 45.488 1.00142.61 O ATOM 113 N ARG 212 -5.567 27.244 43.344 1.00100.43 N ATOM 114 CA ARG 212 -6.395 26.128 42.995 1.00100.43 C ATOM 115 CB ARG 212 -6.504 25.865 41.484 1.00100.43 C ATOM 116 CG ARG 212 -7.601 24.841 41.185 1.00100.43 C ATOM 117 CD ARG 212 -7.789 24.483 39.710 1.00100.43 C ATOM 118 NE ARG 212 -8.856 23.442 39.682 1.00100.43 N ATOM 119 CZ ARG 212 -9.245 22.871 38.504 1.00100.43 C ATOM 120 NH1 ARG 212 -8.654 23.254 37.336 1.00100.43 N ATOM 121 NH2 ARG 212 -10.228 21.922 38.495 1.00100.43 N ATOM 122 C ARG 212 -5.856 24.876 43.625 1.00100.43 C ATOM 123 O ARG 212 -6.618 23.976 43.978 1.00100.43 O ATOM 124 N TYR 213 -4.519 24.773 43.772 1.00 51.85 N ATOM 125 CA TYR 213 -3.998 23.518 44.231 1.00 51.85 C ATOM 126 CB TYR 213 -3.062 22.854 43.204 1.00 51.85 C ATOM 127 CG TYR 213 -3.808 22.746 41.914 1.00 51.85 C ATOM 128 CD1 TYR 213 -4.636 21.679 41.648 1.00 51.85 C ATOM 129 CD2 TYR 213 -3.693 23.740 40.967 1.00 51.85 C ATOM 130 CE1 TYR 213 -5.323 21.596 40.456 1.00 51.85 C ATOM 131 CE2 TYR 213 -4.376 23.661 39.775 1.00 51.85 C ATOM 132 CZ TYR 213 -5.188 22.587 39.511 1.00 51.85 C ATOM 133 OH TYR 213 -5.884 22.515 38.284 1.00 51.85 O ATOM 134 C TYR 213 -3.204 23.702 45.491 1.00 51.85 C ATOM 135 O TYR 213 -2.527 24.708 45.692 1.00 51.85 O ATOM 136 N LEU 214 -3.271 22.679 46.366 1.00 45.19 N ATOM 137 CA LEU 214 -2.610 22.615 47.640 1.00 45.19 C ATOM 138 CB LEU 214 -2.946 21.282 48.356 1.00 45.19 C ATOM 139 CG LEU 214 -2.322 21.019 49.750 1.00 45.19 C ATOM 140 CD1 LEU 214 -2.938 19.757 50.371 1.00 45.19 C ATOM 141 CD2 LEU 214 -0.789 20.883 49.714 1.00 45.19 C ATOM 142 C LEU 214 -1.131 22.673 47.423 1.00 45.19 C ATOM 143 O LEU 214 -0.422 23.374 48.143 1.00 45.19 O ATOM 144 N GLY 215 -0.632 21.927 46.422 1.00 15.43 N ATOM 145 CA GLY 215 0.782 21.839 46.180 1.00 15.43 C ATOM 146 C GLY 215 1.318 23.184 45.815 1.00 15.43 C ATOM 147 O GLY 215 2.418 23.556 46.222 1.00 15.43 O ATOM 148 N HIS 216 0.559 23.940 45.007 1.00 42.96 N ATOM 149 CA HIS 216 1.025 25.225 44.583 1.00 42.96 C ATOM 150 ND1 HIS 216 -0.797 24.239 41.724 1.00 42.96 N ATOM 151 CG HIS 216 0.248 24.978 42.233 1.00 42.96 C ATOM 152 CB HIS 216 0.164 25.830 43.464 1.00 42.96 C ATOM 153 NE2 HIS 216 0.959 23.841 40.417 1.00 42.96 N ATOM 154 CD2 HIS 216 1.312 24.722 41.424 1.00 42.96 C ATOM 155 CE1 HIS 216 -0.316 23.580 40.640 1.00 42.96 C ATOM 156 C HIS 216 1.095 26.165 45.747 1.00 42.96 C ATOM 157 O HIS 216 2.021 26.968 45.841 1.00 42.96 O ATOM 158 N LEU 217 0.120 26.095 46.672 1.00116.94 N ATOM 159 CA LEU 217 0.133 26.961 47.816 1.00116.94 C ATOM 160 CB LEU 217 -1.103 26.754 48.719 1.00116.94 C ATOM 161 CG LEU 217 -1.110 27.512 50.067 1.00116.94 C ATOM 162 CD1 LEU 217 -0.190 26.844 51.104 1.00116.94 C ATOM 163 CD2 LEU 217 -0.797 29.005 49.883 1.00116.94 C ATOM 164 C LEU 217 1.372 26.677 48.608 1.00116.94 C ATOM 165 O LEU 217 2.026 27.595 49.101 1.00116.94 O ATOM 166 N LYS 218 1.748 25.391 48.737 1.00117.46 N ATOM 167 CA LYS 218 2.893 25.044 49.530 1.00117.46 C ATOM 168 CB LYS 218 3.150 23.527 49.578 1.00117.46 C ATOM 169 CG LYS 218 4.180 23.119 50.633 1.00117.46 C ATOM 170 CD LYS 218 4.248 21.611 50.864 1.00117.46 C ATOM 171 CE LYS 218 2.904 20.970 51.229 1.00117.46 C ATOM 172 NZ LYS 218 2.495 21.370 52.596 1.00117.46 N ATOM 173 C LYS 218 4.113 25.692 48.949 1.00117.46 C ATOM 174 O LYS 218 4.933 26.245 49.679 1.00117.46 O ATOM 175 N ALA 219 4.260 25.658 47.610 1.00 18.36 N ATOM 176 CA ALA 219 5.412 26.232 46.974 1.00 18.36 C ATOM 177 CB ALA 219 5.383 26.070 45.443 1.00 18.36 C ATOM 178 C ALA 219 5.424 27.697 47.265 1.00 18.36 C ATOM 179 O ALA 219 6.466 28.272 47.577 1.00 18.36 O ATOM 180 N HIS 220 4.243 28.336 47.195 1.00 82.68 N ATOM 181 CA HIS 220 4.117 29.748 47.417 1.00 82.68 C ATOM 182 ND1 HIS 220 2.059 31.992 48.953 1.00 82.68 N ATOM 183 CG HIS 220 2.424 31.632 47.676 1.00 82.68 C ATOM 184 CB HIS 220 2.659 30.214 47.255 1.00 82.68 C ATOM 185 NE2 HIS 220 2.192 33.873 47.777 1.00 82.68 N ATOM 186 CD2 HIS 220 2.501 32.792 46.971 1.00 82.68 C ATOM 187 CE1 HIS 220 1.934 33.342 48.958 1.00 82.68 C ATOM 188 C HIS 220 4.543 30.066 48.815 1.00 82.68 C ATOM 189 O HIS 220 5.255 31.040 49.059 1.00 82.68 O ATOM 190 N GLN 221 4.129 29.215 49.767 1.00122.40 N ATOM 191 CA GLN 221 4.358 29.430 51.163 1.00122.40 C ATOM 192 CB GLN 221 3.788 28.270 51.989 1.00122.40 C ATOM 193 CG GLN 221 3.710 28.550 53.486 1.00122.40 C ATOM 194 CD GLN 221 2.416 29.308 53.715 1.00122.40 C ATOM 195 OE1 GLN 221 2.290 30.472 53.338 1.00122.40 O ATOM 196 NE2 GLN 221 1.421 28.622 54.336 1.00122.40 N ATOM 197 C GLN 221 5.823 29.479 51.451 1.00122.40 C ATOM 198 O GLN 221 6.286 30.386 52.142 1.00122.40 O ATOM 199 N MET 222 6.606 28.528 50.911 1.00 88.42 N ATOM 200 CA MET 222 7.994 28.501 51.262 1.00 88.42 C ATOM 201 CB MET 222 8.707 27.204 50.852 1.00 88.42 C ATOM 202 CG MET 222 10.073 27.046 51.521 1.00 88.42 C ATOM 203 SD MET 222 10.880 25.456 51.195 1.00 88.42 S ATOM 204 CE MET 222 9.594 24.482 52.029 1.00 88.42 C ATOM 205 C MET 222 8.708 29.669 50.604 1.00 88.42 C ATOM 206 O MET 222 9.903 29.868 50.948 1.00 88.42 O ATOM 207 OXT MET 222 8.089 30.374 49.764 1.00 88.42 O