EXPDTA THEORETICAL MODEL, MODELLER 9.19 2017/10/25 12:14:14 REMARK 6 MODELLER OBJECTIVE FUNCTION: 107.8200 REMARK 6 MODELLER BEST TEMPLATE % SEQ ID: 56.000 REMARK 6 SEQUENCE: model REMARK 6 ALIGNMENT: alignment.pir REMARK 6 DOPE score: -1582.29456 REMARK 6 GA341 score: 0.99897 REMARK 6 Normalized DOPE score: -0.89240 REMARK 6 TEMPLATE: 2i13A02 75:A - 99:A MODELS 1: - 25: AT 56.0% ATOM 1 N GLU 342 -18.634 29.066 66.705 1.00 62.84 N ATOM 2 CA GLU 342 -18.300 29.068 65.262 1.00 62.84 C ATOM 3 CB GLU 342 -18.556 30.459 64.659 1.00 62.84 C ATOM 4 CG GLU 342 -20.031 30.857 64.635 1.00 62.84 C ATOM 5 CD GLU 342 -20.111 32.248 64.026 1.00 62.84 C ATOM 6 OE1 GLU 342 -19.915 32.366 62.787 1.00 62.84 O ATOM 7 OE2 GLU 342 -20.362 33.215 64.793 1.00 62.84 O ATOM 8 C GLU 342 -16.857 28.746 65.059 1.00 62.84 C ATOM 9 O GLU 342 -16.440 27.595 65.173 1.00 62.84 O ATOM 10 N LYS 343 -16.055 29.778 64.735 1.00 96.79 N ATOM 11 CA LYS 343 -14.658 29.558 64.509 1.00 96.79 C ATOM 12 CB LYS 343 -14.183 30.152 63.171 1.00 96.79 C ATOM 13 CG LYS 343 -14.816 29.482 61.948 1.00 96.79 C ATOM 14 CD LYS 343 -14.686 30.300 60.660 1.00 96.79 C ATOM 15 CE LYS 343 -15.687 31.453 60.569 1.00 96.79 C ATOM 16 NZ LYS 343 -17.067 30.922 60.503 1.00 96.79 N ATOM 17 C LYS 343 -13.912 30.258 65.601 1.00 96.79 C ATOM 18 O LYS 343 -13.686 31.465 65.557 1.00 96.79 O ATOM 19 N PRO 344 -13.548 29.497 66.592 1.00115.18 N ATOM 20 CA PRO 344 -12.841 30.046 67.719 1.00115.18 C ATOM 21 CD PRO 344 -14.414 28.396 66.982 1.00115.18 C ATOM 22 CB PRO 344 -13.001 29.026 68.844 1.00115.18 C ATOM 23 CG PRO 344 -14.322 28.313 68.511 1.00115.18 C ATOM 24 C PRO 344 -11.416 30.452 67.488 1.00115.18 C ATOM 25 O PRO 344 -10.911 31.256 68.270 1.00115.18 O ATOM 26 N PHE 345 -10.731 29.925 66.454 1.00 54.42 N ATOM 27 CA PHE 345 -9.339 30.260 66.332 1.00 54.42 C ATOM 28 CB PHE 345 -8.449 29.062 65.962 1.00 54.42 C ATOM 29 CG PHE 345 -8.465 28.141 67.133 1.00 54.42 C ATOM 30 CD1 PHE 345 -7.627 28.359 68.201 1.00 54.42 C ATOM 31 CD2 PHE 345 -9.317 27.061 67.165 1.00 54.42 C ATOM 32 CE1 PHE 345 -7.638 27.514 69.286 1.00 54.42 C ATOM 33 CE2 PHE 345 -9.334 26.210 68.246 1.00 54.42 C ATOM 34 CZ PHE 345 -8.494 26.438 69.308 1.00 54.42 C ATOM 35 C PHE 345 -9.157 31.309 65.283 1.00 54.42 C ATOM 36 O PHE 345 -9.527 31.118 64.126 1.00 54.42 O ATOM 37 N THR 346 -8.541 32.448 65.667 1.00 96.81 N ATOM 38 CA THR 346 -8.367 33.525 64.737 1.00 96.81 C ATOM 39 CB THR 346 -8.899 34.838 65.233 1.00 96.81 C ATOM 40 OG1 THR 346 -8.873 35.802 64.191 1.00 96.81 O ATOM 41 CG2 THR 346 -8.027 35.312 66.410 1.00 96.81 C ATOM 42 C THR 346 -6.906 33.722 64.479 1.00 96.81 C ATOM 43 O THR 346 -6.078 33.600 65.382 1.00 96.81 O ATOM 44 N CYS 347 -6.562 34.012 63.207 1.00 40.66 N ATOM 45 CA CYS 347 -5.203 34.265 62.819 1.00 40.66 C ATOM 46 CB CYS 347 -4.975 34.130 61.300 1.00 40.66 C ATOM 47 SG CYS 347 -3.255 34.452 60.802 1.00 40.66 S ATOM 48 C CYS 347 -4.874 35.669 63.214 1.00 40.66 C ATOM 49 O CYS 347 -5.617 36.605 62.923 1.00 40.66 O ATOM 50 N THR 348 -3.727 35.853 63.885 1.00107.56 N ATOM 51 CA THR 348 -3.352 37.157 64.342 1.00107.56 C ATOM 52 CB THR 348 -2.097 37.135 65.160 1.00107.56 C ATOM 53 OG1 THR 348 -1.006 36.687 64.369 1.00107.56 O ATOM 54 CG2 THR 348 -2.312 36.186 66.352 1.00107.56 C ATOM 55 C THR 348 -3.105 38.049 63.167 1.00107.56 C ATOM 56 O THR 348 -3.482 39.220 63.176 1.00107.56 O ATOM 57 N GLN 349 -2.419 37.532 62.135 1.00 75.75 N ATOM 58 CA GLN 349 -2.057 38.404 61.057 1.00 75.75 C ATOM 59 CB GLN 349 -1.034 37.735 60.126 1.00 75.75 C ATOM 60 CG GLN 349 -0.535 38.618 58.984 1.00 75.75 C ATOM 61 CD GLN 349 0.453 37.779 58.192 1.00 75.75 C ATOM 62 OE1 GLN 349 0.365 37.681 56.969 1.00 75.75 O ATOM 63 NE2 GLN 349 1.422 37.150 58.909 1.00 75.75 N ATOM 64 C GLN 349 -3.224 38.857 60.218 1.00 75.75 C ATOM 65 O GLN 349 -3.481 40.056 60.111 1.00 75.75 O ATOM 66 N CYS 350 -3.945 37.902 59.588 1.00 71.67 N ATOM 67 CA CYS 350 -5.031 38.174 58.677 1.00 71.67 C ATOM 68 CB CYS 350 -5.268 37.017 57.691 1.00 71.67 C ATOM 69 SG CYS 350 -5.598 35.433 58.516 1.00 71.67 S ATOM 70 C CYS 350 -6.327 38.505 59.357 1.00 71.67 C ATOM 71 O CYS 350 -7.065 39.377 58.904 1.00 71.67 O ATOM 72 N GLY 351 -6.650 37.814 60.469 1.00 28.30 N ATOM 73 CA GLY 351 -7.912 38.036 61.115 1.00 28.30 C ATOM 74 C GLY 351 -8.876 36.960 60.701 1.00 28.30 C ATOM 75 O GLY 351 -10.033 36.971 61.118 1.00 28.30 O ATOM 76 N LYS 352 -8.428 36.001 59.862 1.00187.28 N ATOM 77 CA LYS 352 -9.270 34.912 59.432 1.00187.28 C ATOM 78 CB LYS 352 -8.603 33.978 58.408 1.00187.28 C ATOM 79 CG LYS 352 -8.660 34.445 56.959 1.00187.28 C ATOM 80 CD LYS 352 -10.065 34.398 56.363 1.00187.28 C ATOM 81 CE LYS 352 -10.436 33.034 55.775 1.00187.28 C ATOM 82 NZ LYS 352 -10.727 32.074 56.861 1.00187.28 N ATOM 83 C LYS 352 -9.552 34.032 60.610 1.00187.28 C ATOM 84 O LYS 352 -8.686 33.819 61.457 1.00187.28 O ATOM 85 N SER 353 -10.781 33.472 60.674 1.00 51.94 N ATOM 86 CA SER 353 -11.122 32.614 61.774 1.00 51.94 C ATOM 87 CB SER 353 -12.405 33.029 62.514 1.00 51.94 C ATOM 88 OG SER 353 -12.220 34.285 63.150 1.00 51.94 O ATOM 89 C SER 353 -11.344 31.233 61.239 1.00 51.94 C ATOM 90 O SER 353 -11.785 31.063 60.103 1.00 51.94 O ATOM 91 N PHE 354 -11.039 30.204 62.064 1.00149.83 N ATOM 92 CA PHE 354 -11.149 28.837 61.626 1.00149.83 C ATOM 93 CB PHE 354 -9.775 28.181 61.391 1.00149.83 C ATOM 94 CG PHE 354 -9.110 28.883 60.254 1.00149.83 C ATOM 95 CD1 PHE 354 -8.335 30.000 60.473 1.00149.83 C ATOM 96 CD2 PHE 354 -9.268 28.430 58.963 1.00149.83 C ATOM 97 CE1 PHE 354 -7.725 30.650 59.425 1.00149.83 C ATOM 98 CE2 PHE 354 -8.660 29.075 57.912 1.00149.83 C ATOM 99 CZ PHE 354 -7.886 30.186 58.140 1.00149.83 C ATOM 100 C PHE 354 -11.843 28.022 62.675 1.00149.83 C ATOM 101 O PHE 354 -11.791 28.319 63.867 1.00149.83 O ATOM 102 N SER 355 -12.548 26.966 62.224 1.00 76.74 N ATOM 103 CA SER 355 -13.242 26.062 63.094 1.00 76.74 C ATOM 104 CB SER 355 -14.189 25.118 62.338 1.00 76.74 C ATOM 105 OG SER 355 -14.837 24.256 63.261 1.00 76.74 O ATOM 106 C SER 355 -12.252 25.200 63.821 1.00 76.74 C ATOM 107 O SER 355 -12.497 24.802 64.960 1.00 76.74 O ATOM 108 N GLN 356 -11.105 24.888 63.181 1.00 79.22 N ATOM 109 CA GLN 356 -10.192 23.963 63.795 1.00 79.22 C ATOM 110 CB GLN 356 -9.986 22.682 62.965 1.00 79.22 C ATOM 111 CG GLN 356 -11.252 21.837 62.788 1.00 79.22 C ATOM 112 CD GLN 356 -11.485 21.032 64.059 1.00 79.22 C ATOM 113 OE1 GLN 356 -10.718 20.129 64.389 1.00 79.22 O ATOM 114 NE2 GLN 356 -12.581 21.365 64.793 1.00 79.22 N ATOM 115 C GLN 356 -8.839 24.588 63.957 1.00 79.22 C ATOM 116 O GLN 356 -8.388 25.370 63.122 1.00 79.22 O ATOM 117 N SER 357 -8.152 24.217 65.059 1.00 69.26 N ATOM 118 CA SER 357 -6.846 24.709 65.388 1.00 69.26 C ATOM 119 CB SER 357 -6.334 24.196 66.748 1.00 69.26 C ATOM 120 OG SER 357 -6.134 22.791 66.695 1.00 69.26 O ATOM 121 C SER 357 -5.870 24.241 64.355 1.00 69.26 C ATOM 122 O SER 357 -4.973 24.984 63.960 1.00 69.26 O ATOM 123 N SER 358 -6.033 22.992 63.878 1.00 67.12 N ATOM 124 CA SER 358 -5.107 22.432 62.936 1.00 67.12 C ATOM 125 CB SER 358 -5.444 20.982 62.555 1.00 67.12 C ATOM 126 OG SER 358 -5.302 20.137 63.686 1.00 67.12 O ATOM 127 C SER 358 -5.137 23.237 61.679 1.00 67.12 C ATOM 128 O SER 358 -4.092 23.505 61.089 1.00 67.12 O ATOM 129 N HIS 359 -6.341 23.640 61.233 1.00 65.99 N ATOM 130 CA HIS 359 -6.453 24.396 60.020 1.00 65.99 C ATOM 131 ND1 HIS 359 -8.343 23.247 57.523 1.00 65.99 N ATOM 132 CG HIS 359 -8.546 23.517 58.859 1.00 65.99 C ATOM 133 CB HIS 359 -7.904 24.667 59.579 1.00 65.99 C ATOM 134 NE2 HIS 359 -9.753 21.703 58.274 1.00 65.99 N ATOM 135 CD2 HIS 359 -9.411 22.564 59.302 1.00 65.99 C ATOM 136 CE1 HIS 359 -9.087 22.154 57.226 1.00 65.99 C ATOM 137 C HIS 359 -5.788 25.723 60.194 1.00 65.99 C ATOM 138 O HIS 359 -5.118 26.205 59.284 1.00 65.99 O ATOM 139 N LEU 360 -5.953 26.356 61.370 1.00105.18 N ATOM 140 CA LEU 360 -5.394 27.661 61.556 1.00105.18 C ATOM 141 CB LEU 360 -5.734 28.244 62.942 1.00105.18 C ATOM 142 CG LEU 360 -5.486 29.760 63.128 1.00105.18 C ATOM 143 CD1 LEU 360 -5.679 30.153 64.600 1.00105.18 C ATOM 144 CD2 LEU 360 -4.145 30.248 62.557 1.00105.18 C ATOM 145 C LEU 360 -3.902 27.535 61.446 1.00105.18 C ATOM 146 O LEU 360 -3.246 28.346 60.795 1.00105.18 O ATOM 147 N ASN 361 -3.327 26.478 62.050 1.00 63.97 N ATOM 148 CA ASN 361 -1.899 26.322 62.061 1.00 63.97 C ATOM 149 CB ASN 361 -1.440 25.048 62.794 1.00 63.97 C ATOM 150 CG ASN 361 0.073 25.111 62.958 1.00 63.97 C ATOM 151 OD1 ASN 361 0.807 25.314 61.992 1.00 63.97 O ATOM 152 ND2 ASN 361 0.555 24.939 64.218 1.00 63.97 N ATOM 153 C ASN 361 -1.399 26.241 60.653 1.00 63.97 C ATOM 154 O ASN 361 -0.389 26.855 60.311 1.00 63.97 O ATOM 155 N LYS 362 -2.099 25.481 59.793 1.00 96.14 N ATOM 156 CA LYS 362 -1.673 25.330 58.431 1.00 96.14 C ATOM 157 CB LYS 362 -2.599 24.399 57.632 1.00 96.14 C ATOM 158 CG LYS 362 -2.113 24.103 56.212 1.00 96.14 C ATOM 159 CD LYS 362 -0.879 23.199 56.175 1.00 96.14 C ATOM 160 CE LYS 362 -0.419 22.838 54.760 1.00 96.14 C ATOM 161 NZ LYS 362 0.774 21.966 54.832 1.00 96.14 N ATOM 162 C LYS 362 -1.724 26.675 57.774 1.00 96.14 C ATOM 163 O LYS 362 -0.822 27.048 57.026 1.00 96.14 O ATOM 164 N HIS 363 -2.788 27.445 58.061 1.00 48.44 N ATOM 165 CA HIS 363 -2.998 28.728 57.456 1.00 48.44 C ATOM 166 ND1 HIS 363 -5.118 30.904 56.076 1.00 48.44 N ATOM 167 CG HIS 363 -4.568 30.724 57.326 1.00 48.44 C ATOM 168 CB HIS 363 -4.300 29.386 57.946 1.00 48.44 C ATOM 169 NE2 HIS 363 -4.754 32.933 56.910 1.00 48.44 N ATOM 170 CD2 HIS 363 -4.353 31.973 57.822 1.00 48.44 C ATOM 171 CE1 HIS 363 -5.206 32.244 55.878 1.00 48.44 C ATOM 172 C HIS 363 -1.870 29.640 57.818 1.00 48.44 C ATOM 173 O HIS 363 -1.361 30.376 56.976 1.00 48.44 O ATOM 174 N MET 364 -1.432 29.593 59.087 1.00 33.45 N ATOM 175 CA MET 364 -0.413 30.488 59.551 1.00 33.45 C ATOM 176 CB MET 364 -0.046 30.238 61.023 1.00 33.45 C ATOM 177 CG MET 364 -1.194 30.497 61.998 1.00 33.45 C ATOM 178 SD MET 364 -0.863 29.960 63.704 1.00 33.45 S ATOM 179 CE MET 364 0.450 31.175 64.013 1.00 33.45 C ATOM 180 C MET 364 0.835 30.273 58.755 1.00 33.45 C ATOM 181 O MET 364 1.488 31.228 58.337 1.00 33.45 O ATOM 182 N ARG 365 1.190 29.004 58.499 1.00 75.29 N ATOM 183 CA ARG 365 2.421 28.731 57.820 1.00 75.29 C ATOM 184 CB ARG 365 2.686 27.227 57.671 1.00 75.29 C ATOM 185 CG ARG 365 2.827 26.535 59.028 1.00 75.29 C ATOM 186 CD ARG 365 3.157 25.044 58.946 1.00 75.29 C ATOM 187 NE ARG 365 3.256 24.541 60.346 1.00 75.29 N ATOM 188 CZ ARG 365 3.909 23.373 60.611 1.00 75.29 C ATOM 189 NH1 ARG 365 4.493 22.678 59.592 1.00 75.29 N ATOM 190 NH2 ARG 365 3.983 22.907 61.892 1.00 75.29 N ATOM 191 C ARG 365 2.384 29.339 56.457 1.00 75.29 C ATOM 192 O ARG 365 3.358 29.953 56.024 1.00 75.29 O ATOM 193 N ILE 366 1.255 29.198 55.741 1.00119.32 N ATOM 194 CA ILE 366 1.183 29.745 54.421 1.00119.32 C ATOM 195 CB ILE 366 0.002 29.227 53.639 1.00119.32 C ATOM 196 CG1 ILE 366 -1.339 29.507 54.347 1.00119.32 C ATOM 197 CG2 ILE 366 0.254 27.731 53.385 1.00119.32 C ATOM 198 CD1 ILE 366 -1.800 30.962 54.329 1.00119.32 C ATOM 199 C ILE 366 1.173 31.267 54.479 1.00119.32 C ATOM 200 O ILE 366 1.734 31.822 55.461 1.00119.32 O ATOM 201 OXT ILE 366 0.640 31.900 53.530 1.00119.32 O