EXPDTA THEORETICAL MODEL, MODELLER 9.19 2017/10/25 12:05:02 REMARK 6 MODELLER OBJECTIVE FUNCTION: 111.9660 REMARK 6 MODELLER BEST TEMPLATE % SEQ ID: 55.556 REMARK 6 SEQUENCE: model REMARK 6 ALIGNMENT: alignment.pir REMARK 6 DOPE score: -1727.33838 REMARK 6 GA341 score: 0.97984 REMARK 6 Normalized DOPE score: -0.87492 REMARK 6 TEMPLATE: 2i13A02 75:A - 101:A MODELS 1: - 27: AT 55.6% ATOM 1 N GLU 194 -10.500 44.216 41.794 1.00 63.83 N ATOM 2 CA GLU 194 -11.244 43.026 41.320 1.00 63.83 C ATOM 3 CB GLU 194 -10.390 42.224 40.327 1.00 63.83 C ATOM 4 CG GLU 194 -10.074 42.970 39.030 1.00 63.83 C ATOM 5 CD GLU 194 -9.107 42.103 38.242 1.00 63.83 C ATOM 6 OE1 GLU 194 -7.876 42.224 38.490 1.00 63.83 O ATOM 7 OE2 GLU 194 -9.584 41.300 37.395 1.00 63.83 O ATOM 8 C GLU 194 -11.561 42.120 42.464 1.00 63.83 C ATOM 9 O GLU 194 -11.184 42.388 43.605 1.00 63.83 O ATOM 10 N LYS 195 -12.290 41.023 42.176 1.00113.10 N ATOM 11 CA LYS 195 -12.599 40.084 43.213 1.00113.10 C ATOM 12 CB LYS 195 -14.108 39.881 43.414 1.00113.10 C ATOM 13 CG LYS 195 -14.842 41.153 43.841 1.00113.10 C ATOM 14 CD LYS 195 -14.892 42.212 42.739 1.00113.10 C ATOM 15 CE LYS 195 -15.736 43.438 43.092 1.00113.10 C ATOM 16 NZ LYS 195 -17.169 43.073 43.087 1.00113.10 N ATOM 17 C LYS 195 -12.053 38.762 42.777 1.00113.10 C ATOM 18 O LYS 195 -12.669 38.040 41.999 1.00113.10 O ATOM 19 N PRO 196 -10.896 38.445 43.272 1.00110.43 N ATOM 20 CA PRO 196 -10.240 37.223 42.894 1.00110.43 C ATOM 21 CD PRO 196 -9.949 39.487 43.634 1.00110.43 C ATOM 22 CB PRO 196 -8.787 37.378 43.342 1.00110.43 C ATOM 23 CG PRO 196 -8.559 38.899 43.347 1.00110.43 C ATOM 24 C PRO 196 -10.858 35.954 43.398 1.00110.43 C ATOM 25 O PRO 196 -10.649 34.920 42.765 1.00110.43 O ATOM 26 N PHE 197 -11.612 35.974 44.515 1.00 57.67 N ATOM 27 CA PHE 197 -12.066 34.712 45.034 1.00 57.67 C ATOM 28 CB PHE 197 -11.844 34.557 46.547 1.00 57.67 C ATOM 29 CG PHE 197 -10.374 34.570 46.776 1.00 57.67 C ATOM 30 CD1 PHE 197 -9.625 33.429 46.590 1.00 57.67 C ATOM 31 CD2 PHE 197 -9.752 35.726 47.182 1.00 57.67 C ATOM 32 CE1 PHE 197 -8.266 33.449 46.801 1.00 57.67 C ATOM 33 CE2 PHE 197 -8.396 35.751 47.396 1.00 57.67 C ATOM 34 CZ PHE 197 -7.653 34.610 47.207 1.00 57.67 C ATOM 35 C PHE 197 -13.528 34.549 44.781 1.00 57.67 C ATOM 36 O PHE 197 -14.334 35.398 45.157 1.00 57.67 O ATOM 37 N THR 198 -13.905 33.410 44.164 1.00104.17 N ATOM 38 CA THR 198 -15.279 33.179 43.822 1.00104.17 C ATOM 39 CB THR 198 -15.463 32.803 42.382 1.00104.17 C ATOM 40 OG1 THR 198 -14.840 31.553 42.113 1.00104.17 O ATOM 41 CG2 THR 198 -14.835 33.908 41.514 1.00104.17 C ATOM 42 C THR 198 -15.810 32.042 44.639 1.00104.17 C ATOM 43 O THR 198 -15.125 31.047 44.873 1.00104.17 O ATOM 44 N CYS 199 -17.064 32.187 45.112 1.00 44.15 N ATOM 45 CA CYS 199 -17.738 31.173 45.875 1.00 44.15 C ATOM 46 CB CYS 199 -18.912 31.754 46.692 1.00 44.15 C ATOM 47 SG CYS 199 -19.811 30.512 47.671 1.00 44.15 S ATOM 48 C CYS 199 -18.286 30.168 44.909 1.00 44.15 C ATOM 49 O CYS 199 -18.992 30.514 43.964 1.00 44.15 O ATOM 50 N THR 200 -17.982 28.878 45.127 1.00104.82 N ATOM 51 CA THR 200 -18.439 27.868 44.220 1.00104.82 C ATOM 52 CB THR 200 -17.892 26.507 44.556 1.00104.82 C ATOM 53 OG1 THR 200 -18.255 25.570 43.554 1.00104.82 O ATOM 54 CG2 THR 200 -18.431 26.058 45.924 1.00104.82 C ATOM 55 C THR 200 -19.937 27.790 44.247 1.00104.82 C ATOM 56 O THR 200 -20.566 27.605 43.205 1.00104.82 O ATOM 57 N GLN 201 -20.548 27.878 45.447 1.00153.60 N ATOM 58 CA GLN 201 -21.971 27.683 45.523 1.00153.60 C ATOM 59 CB GLN 201 -22.464 27.577 46.977 1.00153.60 C ATOM 60 CG GLN 201 -21.938 26.349 47.722 1.00153.60 C ATOM 61 CD GLN 201 -22.626 25.119 47.143 1.00153.60 C ATOM 62 OE1 GLN 201 -23.804 24.882 47.401 1.00153.60 O ATOM 63 NE2 GLN 201 -21.878 24.317 46.337 1.00153.60 N ATOM 64 C GLN 201 -22.767 28.787 44.886 1.00153.60 C ATOM 65 O GLN 201 -23.556 28.545 43.973 1.00153.60 O ATOM 66 N CYS 202 -22.585 30.022 45.393 1.00115.06 N ATOM 67 CA CYS 202 -23.294 31.215 45.001 1.00115.06 C ATOM 68 CB CYS 202 -23.157 32.273 46.103 1.00115.06 C ATOM 69 SG CYS 202 -23.974 33.846 45.740 1.00115.06 S ATOM 70 C CYS 202 -22.803 31.817 43.715 1.00115.06 C ATOM 71 O CYS 202 -23.595 32.233 42.871 1.00115.06 O ATOM 72 N GLY 203 -21.467 31.879 43.532 1.00 26.98 N ATOM 73 CA GLY 203 -20.910 32.533 42.380 1.00 26.98 C ATOM 74 C GLY 203 -20.532 33.938 42.762 1.00 26.98 C ATOM 75 O GLY 203 -20.095 34.724 41.922 1.00 26.98 O ATOM 76 N LYS 204 -20.693 34.294 44.052 1.00 95.90 N ATOM 77 CA LYS 204 -20.356 35.610 44.520 1.00 95.90 C ATOM 78 CB LYS 204 -20.900 35.883 45.931 1.00 95.90 C ATOM 79 CG LYS 204 -20.880 37.352 46.352 1.00 95.90 C ATOM 80 CD LYS 204 -21.610 37.614 47.674 1.00 95.90 C ATOM 81 CE LYS 204 -22.892 36.797 47.850 1.00 95.90 C ATOM 82 NZ LYS 204 -23.429 36.974 49.220 1.00 95.90 N ATOM 83 C LYS 204 -18.858 35.714 44.587 1.00 95.90 C ATOM 84 O LYS 204 -18.179 34.755 44.951 1.00 95.90 O ATOM 85 N SER 205 -18.299 36.897 44.244 1.00 50.69 N ATOM 86 CA SER 205 -16.868 37.054 44.263 1.00 50.69 C ATOM 87 CB SER 205 -16.296 37.607 42.948 1.00 50.69 C ATOM 88 OG SER 205 -16.544 36.693 41.889 1.00 50.69 O ATOM 89 C SER 205 -16.503 38.018 45.354 1.00 50.69 C ATOM 90 O SER 205 -17.283 38.903 45.701 1.00 50.69 O ATOM 91 N PHE 206 -15.292 37.854 45.939 1.00148.69 N ATOM 92 CA PHE 206 -14.889 38.704 47.030 1.00148.69 C ATOM 93 CB PHE 206 -14.880 37.994 48.399 1.00148.69 C ATOM 94 CG PHE 206 -16.284 37.647 48.766 1.00148.69 C ATOM 95 CD1 PHE 206 -16.832 36.449 48.363 1.00148.69 C ATOM 96 CD2 PHE 206 -17.059 38.515 49.504 1.00148.69 C ATOM 97 CE1 PHE 206 -18.126 36.117 48.696 1.00148.69 C ATOM 98 CE2 PHE 206 -18.354 38.189 49.840 1.00148.69 C ATOM 99 CZ PHE 206 -18.890 36.990 49.433 1.00148.69 C ATOM 100 C PHE 206 -13.491 39.197 46.815 1.00148.69 C ATOM 101 O PHE 206 -12.689 38.587 46.111 1.00148.69 O ATOM 102 N SER 207 -13.183 40.351 47.440 1.00 78.76 N ATOM 103 CA SER 207 -11.897 40.981 47.376 1.00 78.76 C ATOM 104 CB SER 207 -11.910 42.377 48.021 1.00 78.76 C ATOM 105 OG SER 207 -10.623 42.971 47.937 1.00 78.76 O ATOM 106 C SER 207 -10.880 40.154 48.114 1.00 78.76 C ATOM 107 O SER 207 -9.725 40.077 47.700 1.00 78.76 O ATOM 108 N CYS 208 -11.261 39.509 49.236 1.00 80.78 N ATOM 109 CA CYS 208 -10.246 38.783 49.953 1.00 80.78 C ATOM 110 CB CYS 208 -9.774 39.488 51.236 1.00 80.78 C ATOM 111 SG CYS 208 -11.132 39.841 52.390 1.00 80.78 S ATOM 112 C CYS 208 -10.717 37.406 50.310 1.00 80.78 C ATOM 113 O CYS 208 -11.912 37.139 50.434 1.00 80.78 O ATOM 114 N SER 209 -9.737 36.495 50.484 1.00 71.27 N ATOM 115 CA SER 209 -9.961 35.105 50.764 1.00 71.27 C ATOM 116 CB SER 209 -8.657 34.289 50.828 1.00 71.27 C ATOM 117 OG SER 209 -7.842 34.749 51.896 1.00 71.27 O ATOM 118 C SER 209 -10.647 34.944 52.083 1.00 71.27 C ATOM 119 O SER 209 -11.532 34.102 52.222 1.00 71.27 O ATOM 120 N SER 210 -10.262 35.750 53.087 1.00 60.29 N ATOM 121 CA SER 210 -10.827 35.601 54.397 1.00 60.29 C ATOM 122 CB SER 210 -10.220 36.567 55.427 1.00 60.29 C ATOM 123 OG SER 210 -10.828 36.360 56.693 1.00 60.29 O ATOM 124 C SER 210 -12.294 35.874 54.347 1.00 60.29 C ATOM 125 O SER 210 -13.079 35.196 55.009 1.00 60.29 O ATOM 126 N SER 211 -12.698 36.886 53.559 1.00 62.62 N ATOM 127 CA SER 211 -14.084 37.250 53.486 1.00 62.62 C ATOM 128 CB SER 211 -14.313 38.530 52.666 1.00 62.62 C ATOM 129 OG SER 211 -15.696 38.845 52.627 1.00 62.62 O ATOM 130 C SER 211 -14.849 36.137 52.831 1.00 62.62 C ATOM 131 O SER 211 -15.967 35.814 53.226 1.00 62.62 O ATOM 132 N LEU 212 -14.252 35.511 51.801 1.00104.68 N ATOM 133 CA LEU 212 -14.898 34.444 51.087 1.00104.68 C ATOM 134 CB LEU 212 -14.034 33.944 49.908 1.00104.68 C ATOM 135 CG LEU 212 -14.665 32.844 49.027 1.00104.68 C ATOM 136 CD1 LEU 212 -14.765 31.488 49.749 1.00104.68 C ATOM 137 CD2 LEU 212 -16.005 33.315 48.443 1.00104.68 C ATOM 138 C LEU 212 -15.109 33.306 52.041 1.00104.68 C ATOM 139 O LEU 212 -16.161 32.667 52.046 1.00104.68 O ATOM 140 N ASN 213 -14.106 33.042 52.900 1.00 35.80 N ATOM 141 CA ASN 213 -14.184 31.941 53.816 1.00 35.80 C ATOM 142 CB ASN 213 -12.928 31.794 54.693 1.00 35.80 C ATOM 143 CG ASN 213 -11.820 31.184 53.850 1.00 35.80 C ATOM 144 OD1 ASN 213 -11.949 30.069 53.348 1.00 35.80 O ATOM 145 ND2 ASN 213 -10.695 31.933 53.692 1.00 35.80 N ATOM 146 C ASN 213 -15.348 32.140 54.730 1.00 35.80 C ATOM 147 O ASN 213 -16.087 31.196 55.007 1.00 35.80 O ATOM 148 N LYS 214 -15.555 33.375 55.229 1.00101.85 N ATOM 149 CA LYS 214 -16.654 33.573 56.131 1.00101.85 C ATOM 150 CB LYS 214 -16.741 34.991 56.730 1.00101.85 C ATOM 151 CG LYS 214 -17.142 36.089 55.741 1.00101.85 C ATOM 152 CD LYS 214 -17.647 37.363 56.430 1.00101.85 C ATOM 153 CE LYS 214 -19.058 37.208 57.008 1.00101.85 C ATOM 154 NZ LYS 214 -19.495 38.461 57.661 1.00101.85 N ATOM 155 C LYS 214 -17.925 33.316 55.385 1.00101.85 C ATOM 156 O LYS 214 -18.855 32.706 55.910 1.00101.85 O ATOM 157 N HIS 215 -17.986 33.756 54.115 1.00 56.63 N ATOM 158 CA HIS 215 -19.178 33.610 53.331 1.00 56.63 C ATOM 159 ND1 HIS 215 -21.465 34.605 51.254 1.00 56.63 N ATOM 160 CG HIS 215 -20.236 34.012 51.060 1.00 56.63 C ATOM 161 CB HIS 215 -19.031 34.224 51.929 1.00 56.63 C ATOM 162 NE2 HIS 215 -21.659 33.310 49.456 1.00 56.63 N ATOM 163 CD2 HIS 215 -20.373 33.228 49.957 1.00 56.63 C ATOM 164 CE1 HIS 215 -22.279 34.148 50.267 1.00 56.63 C ATOM 165 C HIS 215 -19.521 32.162 53.158 1.00 56.63 C ATOM 166 O HIS 215 -20.680 31.782 53.307 1.00 56.63 O ATOM 167 N MET 216 -18.519 31.308 52.872 1.00103.99 N ATOM 168 CA MET 216 -18.764 29.914 52.614 1.00103.99 C ATOM 169 CB MET 216 -17.488 29.111 52.298 1.00103.99 C ATOM 170 CG MET 216 -16.920 29.368 50.899 1.00103.99 C ATOM 171 SD MET 216 -17.942 28.695 49.550 1.00103.99 S ATOM 172 CE MET 216 -16.742 29.011 48.223 1.00103.99 C ATOM 173 C MET 216 -19.381 29.279 53.816 1.00103.99 C ATOM 174 O MET 216 -20.237 28.404 53.689 1.00103.99 O ATOM 175 N ARG 217 -18.972 29.707 55.020 1.00138.10 N ATOM 176 CA ARG 217 -19.458 29.086 56.217 1.00138.10 C ATOM 177 CB ARG 217 -18.860 29.719 57.484 1.00138.10 C ATOM 178 CG ARG 217 -17.332 29.620 57.488 1.00138.10 C ATOM 179 CD ARG 217 -16.761 28.483 58.336 1.00138.10 C ATOM 180 NE ARG 217 -15.338 28.304 57.924 1.00138.10 N ATOM 181 CZ ARG 217 -14.378 29.163 58.375 1.00138.10 C ATOM 182 NH1 ARG 217 -14.724 30.258 59.113 1.00138.10 N ATOM 183 NH2 ARG 217 -13.067 28.929 58.079 1.00138.10 N ATOM 184 C ARG 217 -20.946 29.229 56.256 1.00138.10 C ATOM 185 O ARG 217 -21.645 28.336 56.731 1.00138.10 O ATOM 186 N ILE 218 -21.470 30.354 55.743 1.00 31.27 N ATOM 187 CA ILE 218 -22.878 30.605 55.802 1.00 31.27 C ATOM 188 CB ILE 218 -23.249 31.916 55.184 1.00 31.27 C ATOM 189 CG1 ILE 218 -22.501 33.062 55.887 1.00 31.27 C ATOM 190 CG2 ILE 218 -24.780 32.042 55.249 1.00 31.27 C ATOM 191 CD1 ILE 218 -22.607 34.399 55.157 1.00 31.27 C ATOM 192 C ILE 218 -23.608 29.530 55.056 1.00 31.27 C ATOM 193 O ILE 218 -24.610 29.013 55.547 1.00 31.27 O ATOM 194 N HIS 219 -23.131 29.150 53.853 1.00 42.72 N ATOM 195 CA HIS 219 -23.823 28.129 53.116 1.00 42.72 C ATOM 196 ND1 HIS 219 -24.288 28.871 49.747 1.00 42.72 N ATOM 197 CG HIS 219 -23.313 28.869 50.723 1.00 42.72 C ATOM 198 CB HIS 219 -23.158 27.794 51.766 1.00 42.72 C ATOM 199 NE2 HIS 219 -23.078 30.711 49.435 1.00 42.72 N ATOM 200 CD2 HIS 219 -22.585 30.001 50.516 1.00 42.72 C ATOM 201 CE1 HIS 219 -24.100 29.994 49.005 1.00 42.72 C ATOM 202 C HIS 219 -23.810 26.886 53.944 1.00 42.72 C ATOM 203 O HIS 219 -24.848 26.258 54.150 1.00 42.72 O ATOM 204 N THR 220 -22.628 26.518 54.474 1.00 68.29 N ATOM 205 CA THR 220 -22.504 25.335 55.271 1.00 68.29 C ATOM 206 CB THR 220 -21.080 25.073 55.691 1.00 68.29 C ATOM 207 OG1 THR 220 -20.248 24.976 54.542 1.00 68.29 O ATOM 208 CG2 THR 220 -21.022 23.755 56.486 1.00 68.29 C ATOM 209 C THR 220 -23.354 25.549 56.521 1.00 68.29 C ATOM 210 O THR 220 -23.498 24.588 57.324 1.00 68.29 O ATOM 211 OXT THR 220 -23.876 26.687 56.683 1.00 68.29 O