EXPDTA THEORETICAL MODEL, MODELLER 9.19 2017/10/25 12:00:49 REMARK 6 MODELLER OBJECTIVE FUNCTION: 98.7197 REMARK 6 MODELLER BEST TEMPLATE % SEQ ID: 58.333 REMARK 6 SEQUENCE: model REMARK 6 ALIGNMENT: alignment.pir REMARK 6 DOPE score: -1348.58374 REMARK 6 GA341 score: 0.90943 REMARK 6 Normalized DOPE score: -0.85815 REMARK 6 TEMPLATE: 2i13A02 75:A - 98:A MODELS 1: - 24: AT 58.3% ATOM 1 N GLU 259 -3.591 37.363 46.875 1.00 58.81 N ATOM 2 CA GLU 259 -2.853 36.996 48.102 1.00 58.81 C ATOM 3 CB GLU 259 -3.320 37.860 49.278 1.00 58.81 C ATOM 4 CG GLU 259 -2.927 39.330 49.151 1.00 58.81 C ATOM 5 CD GLU 259 -3.494 40.042 50.368 1.00 58.81 C ATOM 6 OE1 GLU 259 -4.707 39.842 50.648 1.00 58.81 O ATOM 7 OE2 GLU 259 -2.727 40.787 51.032 1.00 58.81 O ATOM 8 C GLU 259 -3.098 35.568 48.454 1.00 58.81 C ATOM 9 O GLU 259 -3.356 34.739 47.583 1.00 58.81 O ATOM 10 N LYS 260 -3.010 35.244 49.759 1.00 76.32 N ATOM 11 CA LYS 260 -3.223 33.891 50.182 1.00 76.32 C ATOM 12 CB LYS 260 -2.044 33.365 51.015 1.00 76.32 C ATOM 13 CG LYS 260 -0.725 33.433 50.242 1.00 76.32 C ATOM 14 CD LYS 260 0.525 33.312 51.115 1.00 76.32 C ATOM 15 CE LYS 260 1.835 33.411 50.327 1.00 76.32 C ATOM 16 NZ LYS 260 1.999 34.774 49.770 1.00 76.32 N ATOM 17 C LYS 260 -4.442 33.879 51.053 1.00 76.32 C ATOM 18 O LYS 260 -4.376 34.081 52.265 1.00 76.32 O ATOM 19 N PRO 261 -5.561 33.658 50.424 1.00111.35 N ATOM 20 CA PRO 261 -6.816 33.636 51.131 1.00111.35 C ATOM 21 CD PRO 261 -5.718 34.172 49.071 1.00111.35 C ATOM 22 CB PRO 261 -7.896 33.821 50.064 1.00111.35 C ATOM 23 CG PRO 261 -7.184 34.611 48.953 1.00111.35 C ATOM 24 C PRO 261 -7.061 32.449 52.017 1.00111.35 C ATOM 25 O PRO 261 -7.925 32.550 52.888 1.00111.35 O ATOM 26 N PHE 262 -6.354 31.318 51.830 1.00 56.70 N ATOM 27 CA PHE 262 -6.690 30.173 52.632 1.00 56.70 C ATOM 28 CB PHE 262 -6.774 28.872 51.817 1.00 56.70 C ATOM 29 CG PHE 262 -7.948 29.053 50.920 1.00 56.70 C ATOM 30 CD1 PHE 262 -9.216 28.804 51.390 1.00 56.70 C ATOM 31 CD2 PHE 262 -7.784 29.481 49.622 1.00 56.70 C ATOM 32 CE1 PHE 262 -10.311 28.973 50.577 1.00 56.70 C ATOM 33 CE2 PHE 262 -8.877 29.651 48.806 1.00 56.70 C ATOM 34 CZ PHE 262 -10.143 29.399 49.281 1.00 56.70 C ATOM 35 C PHE 262 -5.675 29.992 53.716 1.00 56.70 C ATOM 36 O PHE 262 -4.481 29.858 53.454 1.00 56.70 O ATOM 37 N THR 263 -6.146 29.960 54.981 1.00100.25 N ATOM 38 CA THR 263 -5.248 29.841 56.092 1.00100.25 C ATOM 39 CB THR 263 -5.372 30.963 57.082 1.00100.25 C ATOM 40 OG1 THR 263 -4.352 30.860 58.063 1.00100.25 O ATOM 41 CG2 THR 263 -6.763 30.908 57.740 1.00100.25 C ATOM 42 C THR 263 -5.524 28.561 56.819 1.00100.25 C ATOM 43 O THR 263 -6.673 28.138 56.957 1.00100.25 O ATOM 44 N CYS 264 -4.445 27.899 57.290 1.00 41.24 N ATOM 45 CA CYS 264 -4.557 26.661 58.013 1.00 41.24 C ATOM 46 CB CYS 264 -3.242 25.856 58.050 1.00 41.24 C ATOM 47 SG CYS 264 -3.387 24.289 58.960 1.00 41.24 S ATOM 48 C CYS 264 -4.946 26.974 59.422 1.00 41.24 C ATOM 49 O CYS 264 -4.358 27.840 60.066 1.00 41.24 O ATOM 50 N THR 265 -5.952 26.251 59.947 1.00104.38 N ATOM 51 CA THR 265 -6.425 26.540 61.267 1.00104.38 C ATOM 52 CB THR 265 -7.659 25.764 61.647 1.00104.38 C ATOM 53 OG1 THR 265 -8.184 26.253 62.872 1.00104.38 O ATOM 54 CG2 THR 265 -7.300 24.277 61.782 1.00104.38 C ATOM 55 C THR 265 -5.358 26.251 62.277 1.00104.38 C ATOM 56 O THR 265 -5.199 27.004 63.235 1.00104.38 O ATOM 57 N GLN 266 -4.623 25.131 62.129 1.00111.63 N ATOM 58 CA GLN 266 -3.680 24.815 63.165 1.00111.63 C ATOM 59 CB GLN 266 -3.163 23.367 63.064 1.00111.63 C ATOM 60 CG GLN 266 -2.361 23.072 61.794 1.00111.63 C ATOM 61 CD GLN 266 -1.937 21.613 61.829 1.00111.63 C ATOM 62 OE1 GLN 266 -2.503 20.812 62.570 1.00111.63 O ATOM 63 NE2 GLN 266 -0.925 21.256 60.993 1.00111.63 N ATOM 64 C GLN 266 -2.487 25.733 63.215 1.00111.63 C ATOM 65 O GLN 266 -2.241 26.369 64.241 1.00111.63 O ATOM 66 N CYS 267 -1.708 25.803 62.112 1.00 64.07 N ATOM 67 CA CYS 267 -0.493 26.577 62.043 1.00 64.07 C ATOM 68 CB CYS 267 0.456 26.085 60.936 1.00 64.07 C ATOM 69 SG CYS 267 -0.301 26.131 59.285 1.00 64.07 S ATOM 70 C CYS 267 -0.740 28.044 61.838 1.00 64.07 C ATOM 71 O CYS 267 -0.061 28.886 62.423 1.00 64.07 O ATOM 72 N GLY 268 -1.724 28.399 60.989 1.00 28.26 N ATOM 73 CA GLY 268 -1.968 29.783 60.696 1.00 28.26 C ATOM 74 C GLY 268 -1.266 30.161 59.419 1.00 28.26 C ATOM 75 O GLY 268 -1.289 31.326 59.025 1.00 28.26 O ATOM 76 N LYS 269 -0.619 29.197 58.731 1.00 86.74 N ATOM 77 CA LYS 269 0.062 29.522 57.505 1.00 86.74 C ATOM 78 CB LYS 269 1.078 28.453 57.068 1.00 86.74 C ATOM 79 CG LYS 269 2.104 28.961 56.055 1.00 86.74 C ATOM 80 CD LYS 269 3.331 28.055 55.938 1.00 86.74 C ATOM 81 CE LYS 269 4.483 28.672 55.145 1.00 86.74 C ATOM 82 NZ LYS 269 5.191 29.674 55.972 1.00 86.74 N ATOM 83 C LYS 269 -0.962 29.702 56.417 1.00 86.74 C ATOM 84 O LYS 269 -1.996 29.035 56.410 1.00 86.74 O ATOM 85 N SER 270 -0.695 30.615 55.454 1.00 51.72 N ATOM 86 CA SER 270 -1.678 30.904 54.439 1.00 51.72 C ATOM 87 CB SER 270 -1.996 32.404 54.313 1.00 51.72 C ATOM 88 OG SER 270 -2.607 32.878 55.505 1.00 51.72 O ATOM 89 C SER 270 -1.194 30.439 53.096 1.00 51.72 C ATOM 90 O SER 270 0.007 30.384 52.838 1.00 51.72 O ATOM 91 N PHE 271 -2.147 30.090 52.200 1.00154.53 N ATOM 92 CA PHE 271 -1.809 29.581 50.897 1.00154.53 C ATOM 93 CB PHE 271 -2.031 28.063 50.771 1.00154.53 C ATOM 94 CG PHE 271 -1.008 27.415 51.637 1.00154.53 C ATOM 95 CD1 PHE 271 -1.269 27.176 52.967 1.00154.53 C ATOM 96 CD2 PHE 271 0.220 27.067 51.122 1.00154.53 C ATOM 97 CE1 PHE 271 -0.322 26.587 53.772 1.00154.53 C ATOM 98 CE2 PHE 271 1.171 26.477 51.923 1.00154.53 C ATOM 99 CZ PHE 271 0.899 26.232 53.249 1.00154.53 C ATOM 100 C PHE 271 -2.654 30.243 49.847 1.00154.53 C ATOM 101 O PHE 271 -3.762 30.712 50.097 1.00154.53 O ATOM 102 N SER 272 -2.098 30.311 48.622 1.00 38.65 N ATOM 103 CA SER 272 -2.744 30.879 47.476 1.00 38.65 C ATOM 104 CB SER 272 -1.771 31.074 46.304 1.00 38.65 C ATOM 105 OG SER 272 -1.222 29.825 45.912 1.00 38.65 O ATOM 106 C SER 272 -3.852 29.979 47.008 1.00 38.65 C ATOM 107 O SER 272 -4.853 30.456 46.475 1.00 38.65 O ATOM 108 N GLN 273 -3.708 28.648 47.184 1.00 38.87 N ATOM 109 CA GLN 273 -4.728 27.782 46.653 1.00 38.87 C ATOM 110 CB GLN 273 -4.234 26.861 45.522 1.00 38.87 C ATOM 111 CG GLN 273 -3.798 27.613 44.265 1.00 38.87 C ATOM 112 CD GLN 273 -3.335 26.580 43.250 1.00 38.87 C ATOM 113 OE1 GLN 273 -2.786 25.539 43.611 1.00 38.87 O ATOM 114 NE2 GLN 273 -3.569 26.868 41.943 1.00 38.87 N ATOM 115 C GLN 273 -5.264 26.883 47.721 1.00 38.87 C ATOM 116 O GLN 273 -4.558 26.480 48.643 1.00 38.87 O ATOM 117 N SER 274 -6.561 26.543 47.589 1.00 65.95 N ATOM 118 CA SER 274 -7.250 25.703 48.523 1.00 65.95 C ATOM 119 CB SER 274 -8.749 25.566 48.201 1.00 65.95 C ATOM 120 OG SER 274 -8.914 24.947 46.934 1.00 65.95 O ATOM 121 C SER 274 -6.651 24.333 48.483 1.00 65.95 C ATOM 122 O SER 274 -6.506 23.682 49.515 1.00 65.95 O ATOM 123 N SER 275 -6.279 23.861 47.280 1.00 66.55 N ATOM 124 CA SER 275 -5.754 22.534 47.124 1.00 66.55 C ATOM 125 CB SER 275 -5.461 22.195 45.656 1.00 66.55 C ATOM 126 OG SER 275 -6.664 22.225 44.901 1.00 66.55 O ATOM 127 C SER 275 -4.464 22.419 47.871 1.00 66.55 C ATOM 128 O SER 275 -4.202 21.405 48.517 1.00 66.55 O ATOM 129 N SER 276 -3.620 23.464 47.798 1.00 25.01 N ATOM 130 CA SER 276 -2.340 23.417 48.446 1.00 25.01 C ATOM 131 CB SER 276 -1.470 24.656 48.157 1.00 25.01 C ATOM 132 OG SER 276 -1.128 24.710 46.780 1.00 25.01 O ATOM 133 C SER 276 -2.540 23.345 49.928 1.00 25.01 C ATOM 134 O SER 276 -1.817 22.634 50.624 1.00 25.01 O ATOM 135 N LEU 277 -3.534 24.088 50.450 1.00106.52 N ATOM 136 CA LEU 277 -3.780 24.114 51.863 1.00106.52 C ATOM 137 CB LEU 277 -4.876 25.134 52.239 1.00106.52 C ATOM 138 CG LEU 277 -5.130 25.332 53.753 1.00106.52 C ATOM 139 CD1 LEU 277 -5.764 24.093 54.405 1.00106.52 C ATOM 140 CD2 LEU 277 -3.861 25.798 54.484 1.00106.52 C ATOM 141 C LEU 277 -4.209 22.743 52.297 1.00106.52 C ATOM 142 O LEU 277 -3.789 22.256 53.346 1.00106.52 O ATOM 143 N ASN 278 -5.044 22.071 51.482 1.00 71.84 N ATOM 144 CA ASN 278 -5.569 20.780 51.831 1.00 71.84 C ATOM 145 CB ASN 278 -6.506 20.216 50.746 1.00 71.84 C ATOM 146 CG ASN 278 -7.209 18.982 51.292 1.00 71.84 C ATOM 147 OD1 ASN 278 -7.906 19.041 52.304 1.00 71.84 O ATOM 148 ND2 ASN 278 -7.026 17.828 50.598 1.00 71.84 N ATOM 149 C ASN 278 -4.423 19.835 52.002 1.00 71.84 C ATOM 150 O ASN 278 -4.385 19.048 52.947 1.00 71.84 O ATOM 151 N HIS 279 -3.441 19.907 51.089 1.00 66.56 N ATOM 152 CA HIS 279 -2.281 19.066 51.136 1.00 66.56 C ATOM 153 ND1 HIS 279 0.220 17.390 49.651 1.00 66.56 N ATOM 154 CG HIS 279 -0.014 18.698 50.008 1.00 66.56 C ATOM 155 CB HIS 279 -1.345 19.379 49.959 1.00 66.56 C ATOM 156 NE2 HIS 279 2.183 18.246 50.259 1.00 66.56 N ATOM 157 CD2 HIS 279 1.194 19.205 50.377 1.00 66.56 C ATOM 158 CE1 HIS 279 1.551 17.173 49.821 1.00 66.56 C ATOM 159 C HIS 279 -1.543 19.352 52.405 1.00 66.56 C ATOM 160 O HIS 279 -1.110 18.438 53.105 1.00 66.56 O ATOM 161 N HIS 280 -1.407 20.646 52.743 1.00 50.92 N ATOM 162 CA HIS 280 -0.681 21.057 53.908 1.00 50.92 C ATOM 163 ND1 HIS 280 1.439 23.276 55.306 1.00 50.92 N ATOM 164 CG HIS 280 0.072 23.116 55.247 1.00 50.92 C ATOM 165 CB HIS 280 -0.676 22.590 54.055 1.00 50.92 C ATOM 166 NE2 HIS 280 0.634 23.995 57.250 1.00 50.92 N ATOM 167 CD2 HIS 280 -0.403 23.558 56.445 1.00 50.92 C ATOM 168 CE1 HIS 280 1.722 23.806 56.524 1.00 50.92 C ATOM 169 C HIS 280 -1.333 20.476 55.123 1.00 50.92 C ATOM 170 O HIS 280 -0.654 19.949 56.003 1.00 50.92 O ATOM 171 N MET 281 -2.675 20.534 55.199 1.00 32.99 N ATOM 172 CA MET 281 -3.331 20.048 56.378 1.00 32.99 C ATOM 173 CB MET 281 -4.866 20.181 56.339 1.00 32.99 C ATOM 174 CG MET 281 -5.392 21.608 56.498 1.00 32.99 C ATOM 175 SD MET 281 -7.204 21.710 56.591 1.00 32.99 S ATOM 176 CE MET 281 -7.316 20.787 58.152 1.00 32.99 C ATOM 177 C MET 281 -3.034 18.596 56.548 1.00 32.99 C ATOM 178 O MET 281 -2.702 18.153 57.647 1.00 32.99 O ATOM 179 N ARG 282 -3.126 17.804 55.465 1.00153.22 N ATOM 180 CA ARG 282 -2.886 16.408 55.660 1.00153.22 C ATOM 181 CB ARG 282 -3.827 15.505 54.841 1.00153.22 C ATOM 182 CG ARG 282 -3.685 15.658 53.327 1.00153.22 C ATOM 183 CD ARG 282 -4.913 15.182 52.549 1.00153.22 C ATOM 184 NE ARG 282 -5.315 13.846 53.072 1.00153.22 N ATOM 185 CZ ARG 282 -6.238 13.760 54.074 1.00153.22 C ATOM 186 NH1 ARG 282 -6.766 14.895 54.617 1.00153.22 N ATOM 187 NH2 ARG 282 -6.647 12.536 54.522 1.00153.22 N ATOM 188 C ARG 282 -1.449 16.123 55.244 1.00153.22 C ATOM 189 O ARG 282 -0.563 16.944 55.594 1.00153.22 O ATOM 190 OXT ARG 282 -1.215 15.079 54.575 1.00153.22 O