EXPDTA THEORETICAL MODEL, MODELLER 9.19 2017/10/25 12:04:26 REMARK 6 MODELLER OBJECTIVE FUNCTION: 110.4576 REMARK 6 MODELLER BEST TEMPLATE % SEQ ID: 30.769 REMARK 6 SEQUENCE: model REMARK 6 ALIGNMENT: alignment.pir REMARK 6 DOPE score: -1511.25806 REMARK 6 GA341 score: 0.87717 REMARK 6 Normalized DOPE score: -1.01956 REMARK 6 TEMPLATE: 1a1iA03 160:A - 185:A MODELS 1: - 26: AT 30.8% ATOM 1 N LYS 205 1.376 16.706 24.755 1.00 72.56 N ATOM 2 CA LYS 205 2.221 17.919 24.686 1.00 72.56 C ATOM 3 CB LYS 205 1.720 18.850 23.570 1.00 72.56 C ATOM 4 CG LYS 205 1.862 18.228 22.178 1.00 72.56 C ATOM 5 CD LYS 205 1.029 18.925 21.099 1.00 72.56 C ATOM 6 CE LYS 205 1.177 18.308 19.706 1.00 72.56 C ATOM 7 NZ LYS 205 2.464 18.729 19.107 1.00 72.56 N ATOM 8 C LYS 205 2.187 18.652 25.985 1.00 72.56 C ATOM 9 O LYS 205 1.198 18.608 26.718 1.00 72.56 O ATOM 10 N ARG 206 3.301 19.332 26.309 1.00147.28 N ATOM 11 CA ARG 206 3.408 20.052 27.542 1.00147.28 C ATOM 12 CB ARG 206 4.566 19.503 28.382 1.00147.28 C ATOM 13 CG ARG 206 5.863 19.453 27.577 1.00147.28 C ATOM 14 CD ARG 206 6.914 18.509 28.160 1.00147.28 C ATOM 15 NE ARG 206 6.354 17.129 28.096 1.00147.28 N ATOM 16 CZ ARG 206 6.874 16.152 28.893 1.00147.28 C ATOM 17 NH1 ARG 206 7.894 16.449 29.749 1.00147.28 N ATOM 18 NH2 ARG 206 6.377 14.881 28.834 1.00147.28 N ATOM 19 C ARG 206 3.652 21.492 27.219 1.00147.28 C ATOM 20 O ARG 206 4.770 21.932 26.955 1.00147.28 O ATOM 21 N PRO 207 2.567 22.212 27.225 1.00 68.53 N ATOM 22 CA PRO 207 2.587 23.616 26.904 1.00 68.53 C ATOM 23 CD PRO 207 1.322 21.581 26.815 1.00 68.53 C ATOM 24 CB PRO 207 1.147 23.981 26.547 1.00 68.53 C ATOM 25 CG PRO 207 0.543 22.658 26.048 1.00 68.53 C ATOM 26 C PRO 207 3.173 24.552 27.920 1.00 68.53 C ATOM 27 O PRO 207 3.513 25.671 27.538 1.00 68.53 O ATOM 28 N HIS 208 3.296 24.168 29.206 1.00 55.65 N ATOM 29 CA HIS 208 3.731 25.182 30.127 1.00 55.65 C ATOM 30 ND1 HIS 208 1.168 27.047 30.050 1.00 55.65 N ATOM 31 CG HIS 208 1.388 25.854 30.700 1.00 55.65 C ATOM 32 CB HIS 208 2.720 25.439 31.255 1.00 55.65 C ATOM 33 NE2 HIS 208 -0.769 25.956 30.042 1.00 55.65 N ATOM 34 CD2 HIS 208 0.193 25.199 30.689 1.00 55.65 C ATOM 35 CE1 HIS 208 -0.137 27.056 29.677 1.00 55.65 C ATOM 36 C HIS 208 5.047 24.819 30.734 1.00 55.65 C ATOM 37 O HIS 208 5.210 23.742 31.305 1.00 55.65 O ATOM 38 N VAL 209 6.024 25.748 30.642 1.00 95.41 N ATOM 39 CA VAL 209 7.337 25.480 31.157 1.00 95.41 C ATOM 40 CB VAL 209 8.436 25.727 30.162 1.00 95.41 C ATOM 41 CG1 VAL 209 8.249 24.757 28.983 1.00 95.41 C ATOM 42 CG2 VAL 209 8.419 27.211 29.753 1.00 95.41 C ATOM 43 C VAL 209 7.589 26.360 32.343 1.00 95.41 C ATOM 44 O VAL 209 7.164 27.514 32.391 1.00 95.41 O ATOM 45 N CYS 210 8.298 25.806 33.348 1.00 49.46 N ATOM 46 CA CYS 210 8.578 26.530 34.552 1.00 49.46 C ATOM 47 CB CYS 210 9.190 25.657 35.665 1.00 49.46 C ATOM 48 SG CYS 210 9.527 26.590 37.189 1.00 49.46 S ATOM 49 C CYS 210 9.538 27.610 34.203 1.00 49.46 C ATOM 50 O CYS 210 10.449 27.432 33.397 1.00 49.46 O ATOM 51 N ASN 211 9.331 28.789 34.803 1.00 78.05 N ATOM 52 CA ASN 211 10.157 29.901 34.474 1.00 78.05 C ATOM 53 CB ASN 211 9.701 31.189 35.175 1.00 78.05 C ATOM 54 CG ASN 211 10.357 32.333 34.428 1.00 78.05 C ATOM 55 OD1 ASN 211 11.347 32.133 33.728 1.00 78.05 O ATOM 56 ND2 ASN 211 9.796 33.563 34.578 1.00 78.05 N ATOM 57 C ASN 211 11.564 29.620 34.898 1.00 78.05 C ATOM 58 O ASN 211 12.506 29.844 34.137 1.00 78.05 O ATOM 59 N GLN 212 11.753 29.137 36.143 1.00107.02 N ATOM 60 CA GLN 212 13.096 28.939 36.607 1.00107.02 C ATOM 61 CB GLN 212 13.145 28.629 38.115 1.00107.02 C ATOM 62 CG GLN 212 12.592 29.749 39.002 1.00107.02 C ATOM 63 CD GLN 212 13.586 30.903 39.002 1.00107.02 C ATOM 64 OE1 GLN 212 14.796 30.698 39.078 1.00107.02 O ATOM 65 NE2 GLN 212 13.063 32.155 38.921 1.00107.02 N ATOM 66 C GLN 212 13.785 27.797 35.912 1.00107.02 C ATOM 67 O GLN 212 14.810 27.992 35.257 1.00107.02 O ATOM 68 N CYS 213 13.233 26.571 36.047 1.00 62.90 N ATOM 69 CA CYS 213 13.841 25.381 35.506 1.00 62.90 C ATOM 70 CB CYS 213 13.368 24.090 36.199 1.00 62.90 C ATOM 71 SG CYS 213 11.591 23.770 36.014 1.00 62.90 S ATOM 72 C CYS 213 13.642 25.232 34.028 1.00 62.90 C ATOM 73 O CYS 213 14.561 24.844 33.309 1.00 62.90 O ATOM 74 N GLY 214 12.433 25.538 33.524 1.00 27.62 N ATOM 75 CA GLY 214 12.186 25.345 32.124 1.00 27.62 C ATOM 76 C GLY 214 11.508 24.019 31.930 1.00 27.62 C ATOM 77 O GLY 214 11.195 23.641 30.801 1.00 27.62 O ATOM 78 N LYS 215 11.248 23.270 33.023 1.00106.20 N ATOM 79 CA LYS 215 10.571 22.011 32.863 1.00106.20 C ATOM 80 CB LYS 215 10.288 21.237 34.158 1.00106.20 C ATOM 81 CG LYS 215 11.415 20.342 34.655 1.00106.20 C ATOM 82 CD LYS 215 11.074 19.711 36.003 1.00106.20 C ATOM 83 CE LYS 215 11.938 18.501 36.345 1.00106.20 C ATOM 84 NZ LYS 215 11.539 17.951 37.659 1.00106.20 N ATOM 85 C LYS 215 9.225 22.279 32.283 1.00106.20 C ATOM 86 O LYS 215 8.601 23.297 32.575 1.00106.20 O ATOM 87 N ARG 216 8.739 21.337 31.451 1.00106.99 N ATOM 88 CA ARG 216 7.484 21.529 30.785 1.00106.99 C ATOM 89 CB ARG 216 7.541 21.156 29.297 1.00106.99 C ATOM 90 CG ARG 216 8.664 21.819 28.494 1.00106.99 C ATOM 91 CD ARG 216 8.670 21.385 27.025 1.00106.99 C ATOM 92 NE ARG 216 9.837 22.028 26.358 1.00106.99 N ATOM 93 CZ ARG 216 11.047 21.398 26.350 1.00106.99 C ATOM 94 NH1 ARG 216 11.188 20.182 26.956 1.00106.99 N ATOM 95 NH2 ARG 216 12.115 21.975 25.727 1.00106.99 N ATOM 96 C ARG 216 6.468 20.612 31.398 1.00106.99 C ATOM 97 O ARG 216 6.786 19.491 31.797 1.00106.99 O ATOM 98 N TYR 217 5.205 21.088 31.493 1.00 92.33 N ATOM 99 CA TYR 217 4.137 20.306 32.055 1.00 92.33 C ATOM 100 CB TYR 217 3.753 20.734 33.485 1.00 92.33 C ATOM 101 CG TYR 217 4.945 20.489 34.351 1.00 92.33 C ATOM 102 CD1 TYR 217 5.127 19.272 34.971 1.00 92.33 C ATOM 103 CD2 TYR 217 5.893 21.473 34.533 1.00 92.33 C ATOM 104 CE1 TYR 217 6.227 19.043 35.769 1.00 92.33 C ATOM 105 CE2 TYR 217 6.993 21.249 35.330 1.00 92.33 C ATOM 106 CZ TYR 217 7.165 20.033 35.950 1.00 92.33 C ATOM 107 OH TYR 217 8.293 19.801 36.764 1.00 92.33 O ATOM 108 C TYR 217 2.927 20.450 31.175 1.00 92.33 C ATOM 109 O TYR 217 2.767 21.442 30.467 1.00 92.33 O ATOM 110 N THR 218 2.057 19.418 31.174 1.00107.36 N ATOM 111 CA THR 218 0.865 19.397 30.369 1.00107.36 C ATOM 112 CB THR 218 0.177 18.064 30.378 1.00107.36 C ATOM 113 OG1 THR 218 -0.266 17.747 31.689 1.00107.36 O ATOM 114 CG2 THR 218 1.166 16.997 29.884 1.00107.36 C ATOM 115 C THR 218 -0.131 20.413 30.849 1.00107.36 C ATOM 116 O THR 218 -0.784 21.072 30.041 1.00107.36 O ATOM 117 N HIS 219 -0.287 20.568 32.181 1.00 93.00 N ATOM 118 CA HIS 219 -1.301 21.466 32.664 1.00 93.00 C ATOM 119 ND1 HIS 219 -4.679 21.046 34.508 1.00 93.00 N ATOM 120 CG HIS 219 -3.599 21.534 33.804 1.00 93.00 C ATOM 121 CB HIS 219 -2.315 20.777 33.602 1.00 93.00 C ATOM 122 NE2 HIS 219 -5.258 23.067 33.783 1.00 93.00 N ATOM 123 CD2 HIS 219 -3.973 22.768 33.368 1.00 93.00 C ATOM 124 CE1 HIS 219 -5.641 22.003 34.464 1.00 93.00 C ATOM 125 C HIS 219 -0.640 22.571 33.432 1.00 93.00 C ATOM 126 O HIS 219 0.446 22.403 33.983 1.00 93.00 O ATOM 127 N ARG 220 -1.292 23.750 33.473 1.00142.50 N ATOM 128 CA ARG 220 -0.758 24.899 34.143 1.00142.50 C ATOM 129 CB ARG 220 -1.642 26.153 34.059 1.00142.50 C ATOM 130 CG ARG 220 -0.983 27.339 34.770 1.00142.50 C ATOM 131 CD ARG 220 -1.941 28.430 35.255 1.00142.50 C ATOM 132 NE ARG 220 -2.556 27.941 36.523 1.00142.50 N ATOM 133 CZ ARG 220 -2.558 28.731 37.636 1.00142.50 C ATOM 134 NH1 ARG 220 -1.981 29.968 37.595 1.00142.50 N ATOM 135 NH2 ARG 220 -3.130 28.282 38.792 1.00142.50 N ATOM 136 C ARG 220 -0.658 24.596 35.599 1.00142.50 C ATOM 137 O ARG 220 0.278 25.024 36.268 1.00142.50 O ATOM 138 N ASN 221 -1.644 23.851 36.128 1.00 93.73 N ATOM 139 CA ASN 221 -1.716 23.569 37.532 1.00 93.73 C ATOM 140 CB ASN 221 -2.930 22.700 37.898 1.00 93.73 C ATOM 141 CG ASN 221 -4.182 23.440 37.446 1.00 93.73 C ATOM 142 OD1 ASN 221 -4.104 24.465 36.772 1.00 93.73 O ATOM 143 ND2 ASN 221 -5.375 22.906 37.823 1.00 93.73 N ATOM 144 C ASN 221 -0.500 22.799 37.917 1.00 93.73 C ATOM 145 O ASN 221 0.073 23.015 38.982 1.00 93.73 O ATOM 146 N ALA 222 -0.075 21.864 37.054 1.00 28.63 N ATOM 147 CA ALA 222 1.067 21.074 37.395 1.00 28.63 C ATOM 148 CB ALA 222 1.410 20.028 36.321 1.00 28.63 C ATOM 149 C ALA 222 2.249 21.980 37.530 1.00 28.63 C ATOM 150 O ALA 222 3.019 21.867 38.482 1.00 28.63 O ATOM 151 N LEU 223 2.409 22.924 36.584 1.00 50.18 N ATOM 152 CA LEU 223 3.539 23.804 36.602 1.00 50.18 C ATOM 153 CB LEU 223 3.575 24.717 35.354 1.00 50.18 C ATOM 154 CG LEU 223 4.821 25.618 35.158 1.00 50.18 C ATOM 155 CD1 LEU 223 4.729 26.362 33.814 1.00 50.18 C ATOM 156 CD2 LEU 223 5.051 26.605 36.317 1.00 50.18 C ATOM 157 C LEU 223 3.472 24.653 37.833 1.00 50.18 C ATOM 158 O LEU 223 4.484 24.855 38.503 1.00 50.18 O ATOM 159 N HIS 224 2.272 25.157 38.184 1.00 64.40 N ATOM 160 CA HIS 224 2.194 26.077 39.283 1.00 64.40 C ATOM 161 ND1 HIS 224 0.080 26.291 41.912 1.00 64.40 N ATOM 162 CG HIS 224 -0.035 26.019 40.566 1.00 64.40 C ATOM 163 CB HIS 224 0.798 26.692 39.515 1.00 64.40 C ATOM 164 NE2 HIS 224 -1.542 24.785 41.704 1.00 64.40 N ATOM 165 CD2 HIS 224 -1.030 25.097 40.457 1.00 64.40 C ATOM 166 CE1 HIS 224 -0.844 25.526 42.546 1.00 64.40 C ATOM 167 C HIS 224 2.625 25.394 40.540 1.00 64.40 C ATOM 168 O HIS 224 3.325 25.984 41.360 1.00 64.40 O ATOM 169 N ARG 225 2.221 24.124 40.722 1.00116.43 N ATOM 170 CA ARG 225 2.566 23.398 41.912 1.00116.43 C ATOM 171 CB ARG 225 1.928 21.998 41.957 1.00116.43 C ATOM 172 CG ARG 225 1.954 21.346 43.343 1.00116.43 C ATOM 173 CD ARG 225 1.374 19.927 43.372 1.00116.43 C ATOM 174 NE ARG 225 -0.009 19.989 42.821 1.00116.43 N ATOM 175 CZ ARG 225 -0.214 19.779 41.488 1.00116.43 C ATOM 176 NH1 ARG 225 0.834 19.434 40.685 1.00116.43 N ATOM 177 NH2 ARG 225 -1.466 19.904 40.958 1.00116.43 N ATOM 178 C ARG 225 4.056 23.226 41.952 1.00116.43 C ATOM 179 O ARG 225 4.676 23.324 43.009 1.00116.43 O ATOM 180 N HIS 226 4.661 22.966 40.778 1.00 66.21 N ATOM 181 CA HIS 226 6.064 22.703 40.599 1.00 66.21 C ATOM 182 ND1 HIS 226 8.611 21.103 39.102 1.00 66.21 N ATOM 183 CG HIS 226 7.868 22.240 38.883 1.00 66.21 C ATOM 184 CB HIS 226 6.396 22.369 39.136 1.00 66.21 C ATOM 185 NE2 HIS 226 10.017 22.639 38.322 1.00 66.21 N ATOM 186 CD2 HIS 226 8.742 23.169 38.409 1.00 66.21 C ATOM 187 CE1 HIS 226 9.888 21.396 38.748 1.00 66.21 C ATOM 188 C HIS 226 6.917 23.876 40.973 1.00 66.21 C ATOM 189 O HIS 226 7.933 23.717 41.648 1.00 66.21 O ATOM 190 N GLU 227 6.506 25.094 40.580 1.00 87.54 N ATOM 191 CA GLU 227 7.322 26.265 40.743 1.00 87.54 C ATOM 192 CB GLU 227 6.671 27.545 40.194 1.00 87.54 C ATOM 193 CG GLU 227 7.621 28.744 40.231 1.00 87.54 C ATOM 194 CD GLU 227 6.931 29.931 39.582 1.00 87.54 C ATOM 195 OE1 GLU 227 5.683 29.871 39.409 1.00 87.54 O ATOM 196 OE2 GLU 227 7.646 30.913 39.253 1.00 87.54 O ATOM 197 C GLU 227 7.639 26.498 42.188 1.00 87.54 C ATOM 198 O GLU 227 8.696 27.038 42.511 1.00 87.54 O ATOM 199 N LYS 228 6.742 26.087 43.101 1.00141.98 N ATOM 200 CA LYS 228 6.922 26.348 44.502 1.00141.98 C ATOM 201 CB LYS 228 5.856 25.699 45.405 1.00141.98 C ATOM 202 CG LYS 228 4.485 26.371 45.379 1.00141.98 C ATOM 203 CD LYS 228 3.732 26.180 44.067 1.00141.98 C ATOM 204 CE LYS 228 2.351 26.829 44.089 1.00141.98 C ATOM 205 NZ LYS 228 2.455 28.181 44.679 1.00141.98 N ATOM 206 C LYS 228 8.224 25.782 44.960 1.00141.98 C ATOM 207 O LYS 228 8.873 26.359 45.829 1.00141.98 O ATOM 208 N ALA 229 8.646 24.642 44.387 1.00 22.99 N ATOM 209 CA ALA 229 9.843 24.009 44.858 1.00 22.99 C ATOM 210 CB ALA 229 10.218 22.764 44.036 1.00 22.99 C ATOM 211 C ALA 229 10.970 24.982 44.734 1.00 22.99 C ATOM 212 O ALA 229 11.793 25.112 45.639 1.00 22.99 O ATOM 213 N HIS 230 11.022 25.717 43.611 1.00 61.92 N ATOM 214 CA HIS 230 12.082 26.658 43.412 1.00 61.92 C ATOM 215 ND1 HIS 230 11.017 25.839 40.241 1.00 61.92 N ATOM 216 CG HIS 230 12.107 26.340 40.917 1.00 61.92 C ATOM 217 CB HIS 230 12.013 27.333 42.034 1.00 61.92 C ATOM 218 NE2 HIS 230 12.811 24.852 39.375 1.00 61.92 N ATOM 219 CD2 HIS 230 13.195 25.727 40.375 1.00 61.92 C ATOM 220 CE1 HIS 230 11.495 24.954 39.332 1.00 61.92 C ATOM 221 C HIS 230 11.977 27.750 44.475 1.00 61.92 C ATOM 222 O HIS 230 11.016 27.701 45.286 1.00 61.92 O ATOM 223 OXT HIS 230 12.857 28.655 44.486 1.00 61.92 O