EXPDTA THEORETICAL MODEL, MODELLER 9.19 2017/10/25 12:02:19 REMARK 6 MODELLER OBJECTIVE FUNCTION: 111.9084 REMARK 6 MODELLER BEST TEMPLATE % SEQ ID: 55.172 REMARK 6 SEQUENCE: model REMARK 6 ALIGNMENT: alignment.pir REMARK 6 DOPE score: -1760.88000 REMARK 6 GA341 score: 1.00000 REMARK 6 Normalized DOPE score: -0.88304 REMARK 6 TEMPLATE: 2i13A02 75:A - 103:A MODELS 1: - 29: AT 55.2% ATOM 1 N GLU 315 -18.197 18.889 41.978 1.00 28.15 N ATOM 2 CA GLU 315 -19.122 19.293 43.062 1.00 28.15 C ATOM 3 CB GLU 315 -20.148 18.175 43.312 1.00 28.15 C ATOM 4 CG GLU 315 -21.229 18.510 44.345 1.00 28.15 C ATOM 5 CD GLU 315 -22.207 17.341 44.363 1.00 28.15 C ATOM 6 OE1 GLU 315 -22.168 16.546 43.385 1.00 28.15 O ATOM 7 OE2 GLU 315 -23.000 17.220 45.332 1.00 28.15 O ATOM 8 C GLU 315 -18.361 19.566 44.320 1.00 28.15 C ATOM 9 O GLU 315 -17.193 19.197 44.439 1.00 28.15 O ATOM 10 N LYS 316 -19.000 20.257 45.289 1.00 76.69 N ATOM 11 CA LYS 316 -18.307 20.565 46.508 1.00 76.69 C ATOM 12 CB LYS 316 -18.010 22.063 46.666 1.00 76.69 C ATOM 13 CG LYS 316 -17.028 22.607 45.630 1.00 76.69 C ATOM 14 CD LYS 316 -17.061 24.131 45.541 1.00 76.69 C ATOM 15 CE LYS 316 -15.900 24.721 44.748 1.00 76.69 C ATOM 16 NZ LYS 316 -14.665 24.649 45.558 1.00 76.69 N ATOM 17 C LYS 316 -19.168 20.176 47.668 1.00 76.69 C ATOM 18 O LYS 316 -20.101 20.879 48.048 1.00 76.69 O ATOM 19 N PRO 317 -18.846 19.046 48.229 1.00101.59 N ATOM 20 CA PRO 317 -19.578 18.542 49.362 1.00101.59 C ATOM 21 CD PRO 317 -18.307 17.975 47.408 1.00101.59 C ATOM 22 CB PRO 317 -19.231 17.058 49.453 1.00101.59 C ATOM 23 CG PRO 317 -18.855 16.676 48.012 1.00101.59 C ATOM 24 C PRO 317 -19.358 19.246 50.668 1.00101.59 C ATOM 25 O PRO 317 -20.229 19.150 51.532 1.00101.59 O ATOM 26 N PHE 318 -18.224 19.947 50.860 1.00 58.82 N ATOM 27 CA PHE 318 -17.972 20.467 52.178 1.00 58.82 C ATOM 28 CB PHE 318 -16.514 20.274 52.631 1.00 58.82 C ATOM 29 CG PHE 318 -16.266 18.808 52.623 1.00 58.82 C ATOM 30 CD1 PHE 318 -16.736 18.013 53.640 1.00 58.82 C ATOM 31 CD2 PHE 318 -15.559 18.230 51.596 1.00 58.82 C ATOM 32 CE1 PHE 318 -16.510 16.657 53.631 1.00 58.82 C ATOM 33 CE2 PHE 318 -15.330 16.876 51.582 1.00 58.82 C ATOM 34 CZ PHE 318 -15.804 16.086 52.602 1.00 58.82 C ATOM 35 C PHE 318 -18.264 21.933 52.212 1.00 58.82 C ATOM 36 O PHE 318 -17.667 22.719 51.476 1.00 58.82 O ATOM 37 N ALA 319 -19.179 22.344 53.117 1.00 31.71 N ATOM 38 CA ALA 319 -19.574 23.722 53.170 1.00 31.71 C ATOM 39 CB ALA 319 -21.092 23.917 53.029 1.00 31.71 C ATOM 40 C ALA 319 -19.172 24.327 54.480 1.00 31.71 C ATOM 41 O ALA 319 -19.263 23.695 55.533 1.00 31.71 O ATOM 42 N CYS 320 -18.700 25.591 54.420 1.00 43.11 N ATOM 43 CA CYS 320 -18.291 26.335 55.578 1.00 43.11 C ATOM 44 CB CYS 320 -17.359 27.515 55.231 1.00 43.11 C ATOM 45 SG CYS 320 -16.827 28.484 56.677 1.00 43.11 S ATOM 46 C CYS 320 -19.517 26.900 56.231 1.00 43.11 C ATOM 47 O CYS 320 -20.360 27.522 55.583 1.00 43.11 O ATOM 48 N THR 321 -19.638 26.703 57.557 1.00110.15 N ATOM 49 CA THR 321 -20.779 27.174 58.288 1.00110.15 C ATOM 50 CB THR 321 -20.765 26.751 59.733 1.00110.15 C ATOM 51 OG1 THR 321 -19.652 27.328 60.400 1.00110.15 O ATOM 52 CG2 THR 321 -20.678 25.215 59.810 1.00110.15 C ATOM 53 C THR 321 -20.804 28.673 58.270 1.00110.15 C ATOM 54 O THR 321 -21.870 29.279 58.159 1.00110.15 O ATOM 55 N GLN 322 -19.631 29.319 58.423 1.00118.71 N ATOM 56 CA GLN 322 -19.661 30.747 58.552 1.00118.71 C ATOM 57 CB GLN 322 -18.304 31.320 59.006 1.00118.71 C ATOM 58 CG GLN 322 -18.377 32.775 59.464 1.00118.71 C ATOM 59 CD GLN 322 -19.161 32.814 60.768 1.00118.71 C ATOM 60 OE1 GLN 322 -18.594 33.002 61.844 1.00118.71 O ATOM 61 NE2 GLN 322 -20.505 32.629 60.669 1.00118.71 N ATOM 62 C GLN 322 -20.061 31.459 57.286 1.00118.71 C ATOM 63 O GLN 322 -21.049 32.192 57.281 1.00118.71 O ATOM 64 N CYS 323 -19.279 31.287 56.197 1.00 73.70 N ATOM 65 CA CYS 323 -19.499 31.950 54.933 1.00 73.70 C ATOM 66 CB CYS 323 -18.204 32.118 54.115 1.00 73.70 C ATOM 67 SG CYS 323 -17.353 30.546 53.786 1.00 73.70 S ATOM 68 C CYS 323 -20.525 31.277 54.069 1.00 73.70 C ATOM 69 O CYS 323 -21.289 31.937 53.369 1.00 73.70 O ATOM 70 N GLY 324 -20.564 29.931 54.081 1.00 26.94 N ATOM 71 CA GLY 324 -21.461 29.210 53.221 1.00 26.94 C ATOM 72 C GLY 324 -20.717 28.791 51.982 1.00 26.94 C ATOM 73 O GLY 324 -21.303 28.222 51.063 1.00 26.94 O ATOM 74 N LYS 325 -19.397 29.064 51.922 1.00 59.45 N ATOM 75 CA LYS 325 -18.605 28.699 50.775 1.00 59.45 C ATOM 76 CB LYS 325 -17.219 29.367 50.772 1.00 59.45 C ATOM 77 CG LYS 325 -16.494 29.309 49.428 1.00 59.45 C ATOM 78 CD LYS 325 -15.277 30.234 49.368 1.00 59.45 C ATOM 79 CE LYS 325 -14.499 30.146 48.056 1.00 59.45 C ATOM 80 NZ LYS 325 -13.487 31.224 47.999 1.00 59.45 N ATOM 81 C LYS 325 -18.401 27.207 50.782 1.00 59.45 C ATOM 82 O LYS 325 -18.230 26.602 51.840 1.00 59.45 O ATOM 83 N SER 326 -18.401 26.574 49.584 1.00 53.01 N ATOM 84 CA SER 326 -18.271 25.141 49.512 1.00 53.01 C ATOM 85 CB SER 326 -19.407 24.439 48.742 1.00 53.01 C ATOM 86 OG SER 326 -20.634 24.575 49.444 1.00 53.01 O ATOM 87 C SER 326 -16.980 24.795 48.833 1.00 53.01 C ATOM 88 O SER 326 -16.467 25.553 48.010 1.00 53.01 O ATOM 89 N PHE 327 -16.422 23.614 49.183 1.00151.66 N ATOM 90 CA PHE 327 -15.144 23.203 48.668 1.00151.66 C ATOM 91 CB PHE 327 -14.030 23.268 49.726 1.00151.66 C ATOM 92 CG PHE 327 -13.771 24.698 50.055 1.00151.66 C ATOM 93 CD1 PHE 327 -14.497 25.343 51.033 1.00151.66 C ATOM 94 CD2 PHE 327 -12.805 25.401 49.374 1.00151.66 C ATOM 95 CE1 PHE 327 -14.253 26.665 51.336 1.00151.66 C ATOM 96 CE2 PHE 327 -12.560 26.720 49.675 1.00151.66 C ATOM 97 CZ PHE 327 -13.284 27.359 50.653 1.00151.66 C ATOM 98 C PHE 327 -15.201 21.775 48.217 1.00151.66 C ATOM 99 O PHE 327 -16.031 20.990 48.674 1.00151.66 O ATOM 100 N SER 328 -14.298 21.422 47.277 1.00 35.00 N ATOM 101 CA SER 328 -14.180 20.101 46.731 1.00 35.00 C ATOM 102 CB SER 328 -13.254 20.039 45.504 1.00 35.00 C ATOM 103 OG SER 328 -11.923 20.356 45.883 1.00 35.00 O ATOM 104 C SER 328 -13.623 19.161 47.760 1.00 35.00 C ATOM 105 O SER 328 -13.976 17.983 47.767 1.00 35.00 O ATOM 106 N HIS 329 -12.727 19.631 48.656 1.00117.85 N ATOM 107 CA HIS 329 -12.179 18.694 49.602 1.00117.85 C ATOM 108 ND1 HIS 329 -8.866 19.799 49.680 1.00117.85 N ATOM 109 CG HIS 329 -9.797 19.233 48.841 1.00117.85 C ATOM 110 CB HIS 329 -10.771 18.176 49.252 1.00117.85 C ATOM 111 NE2 HIS 329 -8.571 20.727 47.680 1.00117.85 N ATOM 112 CD2 HIS 329 -9.606 19.812 47.624 1.00117.85 C ATOM 113 CE1 HIS 329 -8.158 20.684 48.934 1.00117.85 C ATOM 114 C HIS 329 -12.164 19.266 50.985 1.00117.85 C ATOM 115 O HIS 329 -12.119 20.478 51.191 1.00117.85 O ATOM 116 N SER 330 -12.203 18.352 51.977 1.00 71.58 N ATOM 117 CA SER 330 -12.289 18.677 53.371 1.00 71.58 C ATOM 118 CB SER 330 -12.404 17.438 54.279 1.00 71.58 C ATOM 119 OG SER 330 -11.212 16.668 54.214 1.00 71.58 O ATOM 120 C SER 330 -11.073 19.432 53.802 1.00 71.58 C ATOM 121 O SER 330 -11.174 20.365 54.595 1.00 71.58 O ATOM 122 N SER 331 -9.889 19.061 53.282 1.00 62.85 N ATOM 123 CA SER 331 -8.670 19.695 53.703 1.00 62.85 C ATOM 124 CB SER 331 -7.434 19.143 52.969 1.00 62.85 C ATOM 125 OG SER 331 -6.258 19.818 53.391 1.00 62.85 O ATOM 126 C SER 331 -8.738 21.152 53.391 1.00 62.85 C ATOM 127 O SER 331 -8.372 21.988 54.217 1.00 62.85 O ATOM 128 N SER 332 -9.213 21.493 52.180 1.00 63.82 N ATOM 129 CA SER 332 -9.243 22.864 51.764 1.00 63.82 C ATOM 130 CB SER 332 -9.679 23.043 50.302 1.00 63.82 C ATOM 131 OG SER 332 -9.688 24.424 49.969 1.00 63.82 O ATOM 132 C SER 332 -10.199 23.636 52.611 1.00 63.82 C ATOM 133 O SER 332 -9.936 24.785 52.967 1.00 63.82 O ATOM 134 N LEU 333 -11.341 23.025 52.960 1.00104.59 N ATOM 135 CA LEU 333 -12.314 23.734 53.732 1.00104.59 C ATOM 136 CB LEU 333 -13.599 22.910 53.943 1.00104.59 C ATOM 137 CG LEU 333 -14.824 23.715 54.437 1.00104.59 C ATOM 138 CD1 LEU 333 -16.017 22.787 54.688 1.00104.59 C ATOM 139 CD2 LEU 333 -14.516 24.620 55.638 1.00104.59 C ATOM 140 C LEU 333 -11.688 24.021 55.063 1.00104.59 C ATOM 141 O LEU 333 -11.821 25.120 55.600 1.00104.59 O ATOM 142 N ASN 334 -10.941 23.041 55.608 1.00 77.42 N ATOM 143 CA ASN 334 -10.348 23.161 56.911 1.00 77.42 C ATOM 144 CB ASN 334 -9.534 21.917 57.307 1.00 77.42 C ATOM 145 CG ASN 334 -9.075 22.095 58.745 1.00 77.42 C ATOM 146 OD1 ASN 334 -9.834 22.553 59.597 1.00 77.42 O ATOM 147 ND2 ASN 334 -7.796 21.725 59.023 1.00 77.42 N ATOM 148 C ASN 334 -9.422 24.339 56.937 1.00 77.42 C ATOM 149 O ASN 334 -9.400 25.083 57.915 1.00 77.42 O ATOM 150 N ARG 335 -8.620 24.543 55.873 1.00162.72 N ATOM 151 CA ARG 335 -7.723 25.664 55.877 1.00162.72 C ATOM 152 CB ARG 335 -6.798 25.716 54.645 1.00162.72 C ATOM 153 CG ARG 335 -5.766 26.846 54.701 1.00162.72 C ATOM 154 CD ARG 335 -4.772 26.689 55.855 1.00162.72 C ATOM 155 NE ARG 335 -3.816 25.607 55.485 1.00162.72 N ATOM 156 CZ ARG 335 -2.616 25.914 54.913 1.00162.72 C ATOM 157 NH1 ARG 335 -2.233 27.218 54.776 1.00162.72 N ATOM 158 NH2 ARG 335 -1.791 24.911 54.491 1.00162.72 N ATOM 159 C ARG 335 -8.542 26.917 55.887 1.00162.72 C ATOM 160 O ARG 335 -8.207 27.880 56.575 1.00162.72 O ATOM 161 N HIS 336 -9.652 26.923 55.123 1.00 56.00 N ATOM 162 CA HIS 336 -10.497 28.076 54.999 1.00 56.00 C ATOM 163 ND1 HIS 336 -12.329 30.148 53.192 1.00 56.00 N ATOM 164 CG HIS 336 -12.583 29.007 53.920 1.00 56.00 C ATOM 165 CB HIS 336 -11.656 27.834 54.020 1.00 56.00 C ATOM 166 NE2 HIS 336 -14.316 30.433 54.150 1.00 56.00 N ATOM 167 CD2 HIS 336 -13.801 29.198 54.498 1.00 56.00 C ATOM 168 CE1 HIS 336 -13.397 30.967 53.364 1.00 56.00 C ATOM 169 C HIS 336 -11.091 28.444 56.330 1.00 56.00 C ATOM 170 O HIS 336 -11.119 29.618 56.697 1.00 56.00 O ATOM 171 N ILE 337 -11.552 27.445 57.106 1.00 87.24 N ATOM 172 CA ILE 337 -12.221 27.694 58.357 1.00 87.24 C ATOM 173 CB ILE 337 -12.716 26.440 59.032 1.00 87.24 C ATOM 174 CG1 ILE 337 -13.749 26.782 60.121 1.00 87.24 C ATOM 175 CG2 ILE 337 -11.504 25.664 59.573 1.00 87.24 C ATOM 176 CD1 ILE 337 -14.502 25.562 60.652 1.00 87.24 C ATOM 177 C ILE 337 -11.294 28.404 59.300 1.00 87.24 C ATOM 178 O ILE 337 -11.701 29.301 60.036 1.00 87.24 O ATOM 179 N MET 338 -10.002 28.041 59.284 1.00 46.03 N ATOM 180 CA MET 338 -9.062 28.615 60.203 1.00 46.03 C ATOM 181 CB MET 338 -7.654 28.004 60.095 1.00 46.03 C ATOM 182 CG MET 338 -7.609 26.584 60.662 1.00 46.03 C ATOM 183 SD MET 338 -5.996 25.757 60.540 1.00 46.03 S ATOM 184 CE MET 338 -6.294 25.123 58.866 1.00 46.03 C ATOM 185 C MET 338 -8.989 30.092 59.981 1.00 46.03 C ATOM 186 O MET 338 -8.756 30.849 60.922 1.00 46.03 O ATOM 187 N ARG 339 -9.191 30.553 58.735 1.00111.13 N ATOM 188 CA ARG 339 -9.098 31.953 58.435 1.00111.13 C ATOM 189 CB ARG 339 -9.459 32.248 56.970 1.00111.13 C ATOM 190 CG ARG 339 -9.334 33.719 56.574 1.00111.13 C ATOM 191 CD ARG 339 -7.887 34.180 56.388 1.00111.13 C ATOM 192 NE ARG 339 -7.924 35.582 55.886 1.00111.13 N ATOM 193 CZ ARG 339 -7.036 35.988 54.930 1.00111.13 C ATOM 194 NH1 ARG 339 -6.127 35.106 54.425 1.00111.13 N ATOM 195 NH2 ARG 339 -7.061 37.277 54.481 1.00111.13 N ATOM 196 C ARG 339 -10.075 32.710 59.287 1.00111.13 C ATOM 197 O ARG 339 -9.719 33.734 59.868 1.00111.13 O ATOM 198 N HIS 340 -11.334 32.233 59.389 1.00 43.61 N ATOM 199 CA HIS 340 -12.312 32.938 60.171 1.00 43.61 C ATOM 200 ND1 HIS 340 -14.505 33.657 58.023 1.00 43.61 N ATOM 201 CG HIS 340 -14.288 32.462 58.673 1.00 43.61 C ATOM 202 CB HIS 340 -13.729 32.354 60.061 1.00 43.61 C ATOM 203 NE2 HIS 340 -15.136 32.049 56.622 1.00 43.61 N ATOM 204 CD2 HIS 340 -14.679 31.492 57.804 1.00 43.61 C ATOM 205 CE1 HIS 340 -15.011 33.352 56.802 1.00 43.61 C ATOM 206 C HIS 340 -11.919 32.917 61.619 1.00 43.61 C ATOM 207 O HIS 340 -11.991 33.937 62.303 1.00 43.61 O ATOM 208 N THR 341 -11.472 31.751 62.123 1.00 34.83 N ATOM 209 CA THR 341 -11.114 31.627 63.507 1.00 34.83 C ATOM 210 CB THR 341 -10.719 30.229 63.896 1.00 34.83 C ATOM 211 OG1 THR 341 -9.544 29.826 63.208 1.00 34.83 O ATOM 212 CG2 THR 341 -11.890 29.287 63.554 1.00 34.83 C ATOM 213 C THR 341 -9.958 32.532 63.780 1.00 34.83 C ATOM 214 O THR 341 -9.905 33.177 64.825 1.00 34.83 O ATOM 215 N GLY 342 -9.011 32.629 62.829 1.00 16.39 N ATOM 216 CA GLY 342 -7.863 33.461 63.033 1.00 16.39 C ATOM 217 C GLY 342 -6.702 32.568 63.313 1.00 16.39 C ATOM 218 O GLY 342 -5.560 33.021 63.380 1.00 16.39 O ATOM 219 N GLU 343 -6.978 31.264 63.490 1.00 68.43 N ATOM 220 CA GLU 343 -5.929 30.317 63.707 1.00 68.43 C ATOM 221 CB GLU 343 -6.452 28.897 63.956 1.00 68.43 C ATOM 222 CG GLU 343 -5.335 27.880 64.185 1.00 68.43 C ATOM 223 CD GLU 343 -5.989 26.559 64.555 1.00 68.43 C ATOM 224 OE1 GLU 343 -6.519 26.466 65.694 1.00 68.43 O ATOM 225 OE2 GLU 343 -5.971 25.628 63.707 1.00 68.43 O ATOM 226 C GLU 343 -5.075 30.275 62.447 1.00 68.43 C ATOM 227 O GLU 343 -5.669 30.144 61.342 1.00 68.43 O ATOM 228 OXT GLU 343 -3.826 30.370 62.566 1.00 68.43 O