EXPDTA T0348TS197_5-scwrl MODEL 1 REMARK 44 REMARK 44 model 1 is called T0348TS197_5-scwrl ATOM 1 N MET A 1 -7.800 1.600 7.500 1.00 0.00 ATOM 2 CA MET A 1 -6.696 1.188 6.649 1.00 0.00 ATOM 3 CB MET A 1 -5.500 2.125 6.832 1.00 0.00 ATOM 4 CG MET A 1 -5.716 3.523 6.277 1.00 0.00 ATOM 5 SD MET A 1 -4.325 4.623 6.601 1.00 0.00 ATOM 6 CE MET A 1 -3.071 3.904 5.543 1.00 0.00 ATOM 7 O MET A 1 -5.956 -1.027 6.093 1.00 0.00 ATOM 8 C MET A 1 -6.245 -0.234 6.988 1.00 0.00 ATOM 9 N ASP A 2 -6.198 -0.514 8.282 1.00 0.00 ATOM 10 CA ASP A 2 -5.860 -1.848 8.748 1.00 0.00 ATOM 11 CB ASP A 2 -5.889 -1.905 10.277 1.00 0.00 ATOM 12 CG ASP A 2 -4.719 -1.178 10.909 1.00 0.00 ATOM 13 OD1 ASP A 2 -3.765 -0.838 10.178 1.00 0.00 ATOM 14 OD2 ASP A 2 -4.756 -0.948 12.136 1.00 0.00 ATOM 15 O ASP A 2 -6.493 -3.881 7.641 1.00 0.00 ATOM 16 C ASP A 2 -6.873 -2.850 8.192 1.00 0.00 ATOM 17 N ALA A 3 -8.144 -2.511 8.356 1.00 0.00 ATOM 18 CA ALA A 3 -9.213 -3.326 7.805 1.00 0.00 ATOM 19 CB ALA A 3 -10.559 -2.650 8.018 1.00 0.00 ATOM 20 O ALA A 3 -9.164 -4.615 5.781 1.00 0.00 ATOM 21 C ALA A 3 -8.981 -3.518 6.305 1.00 0.00 ATOM 22 N LYS A 4 -8.582 -2.434 5.657 1.00 0.00 ATOM 23 CA LYS A 4 -8.548 -2.400 4.205 1.00 0.00 ATOM 24 CB LYS A 4 -8.588 -0.956 3.702 1.00 0.00 ATOM 25 CG LYS A 4 -9.885 -0.226 4.012 1.00 0.00 ATOM 26 CD LYS A 4 -9.856 1.200 3.485 1.00 0.00 ATOM 27 CE LYS A 4 -11.137 1.942 3.830 1.00 0.00 ATOM 28 NZ LYS A 4 -11.113 3.348 3.341 1.00 0.00 ATOM 29 O LYS A 4 -7.030 -3.163 2.509 1.00 0.00 ATOM 30 C LYS A 4 -7.261 -3.064 3.713 1.00 0.00 ATOM 31 N PHE A 5 -6.456 -3.503 4.670 1.00 0.00 ATOM 32 CA PHE A 5 -5.242 -4.234 4.350 1.00 0.00 ATOM 33 CB PHE A 5 -4.129 -3.883 5.339 1.00 0.00 ATOM 34 CG PHE A 5 -2.781 -4.418 4.949 1.00 0.00 ATOM 35 CD1 PHE A 5 -2.083 -3.871 3.887 1.00 0.00 ATOM 36 CD2 PHE A 5 -2.210 -5.470 5.645 1.00 0.00 ATOM 37 CE1 PHE A 5 -0.843 -4.364 3.528 1.00 0.00 ATOM 38 CE2 PHE A 5 -0.970 -5.963 5.286 1.00 0.00 ATOM 39 CZ PHE A 5 -0.286 -5.414 4.233 1.00 0.00 ATOM 40 O PHE A 5 -4.740 -6.519 3.809 1.00 0.00 ATOM 41 C PHE A 5 -5.479 -5.745 4.415 1.00 0.00 ATOM 42 N LEU A 6 -6.513 -6.118 5.156 1.00 0.00 ATOM 43 CA LEU A 6 -6.878 -7.519 5.278 1.00 0.00 ATOM 44 CB LEU A 6 -7.720 -7.746 6.535 1.00 0.00 ATOM 45 CG LEU A 6 -7.025 -7.483 7.873 1.00 0.00 ATOM 46 CD1 LEU A 6 -8.001 -7.651 9.028 1.00 0.00 ATOM 47 CD2 LEU A 6 -5.872 -8.453 8.080 1.00 0.00 ATOM 48 O LEU A 6 -7.749 -9.121 3.716 1.00 0.00 ATOM 49 C LEU A 6 -7.690 -7.939 4.051 1.00 0.00 ATOM 50 N GLU A 7 -8.296 -6.947 3.414 1.00 0.00 ATOM 51 CA GLU A 7 -9.101 -7.199 2.232 1.00 0.00 ATOM 52 CB GLU A 7 -9.865 -5.937 1.825 1.00 0.00 ATOM 53 CG GLU A 7 -10.952 -5.527 2.804 1.00 0.00 ATOM 54 CD GLU A 7 -11.613 -4.216 2.425 1.00 0.00 ATOM 55 OE1 GLU A 7 -11.203 -3.616 1.410 1.00 0.00 ATOM 56 OE2 GLU A 7 -12.541 -3.789 3.144 1.00 0.00 ATOM 57 O GLU A 7 -8.702 -8.131 0.055 1.00 0.00 ATOM 58 C GLU A 7 -8.210 -7.626 1.064 1.00 0.00 ATOM 59 N ILE A 8 -6.915 -7.409 1.238 1.00 0.00 ATOM 60 CA ILE A 8 -5.951 -7.767 0.212 1.00 0.00 ATOM 61 CB ILE A 8 -4.645 -6.964 0.360 1.00 0.00 ATOM 62 CG1 ILE A 8 -4.895 -5.482 0.072 1.00 0.00 ATOM 63 CG2 ILE A 8 -3.594 -7.473 -0.614 1.00 0.00 ATOM 64 CD1 ILE A 8 -3.738 -4.583 0.449 1.00 0.00 ATOM 65 O ILE A 8 -5.144 -9.864 -0.632 1.00 0.00 ATOM 66 C ILE A 8 -5.621 -9.256 0.325 1.00 0.00 ATOM 67 N LEU A 9 -5.887 -9.801 1.503 1.00 0.00 ATOM 68 CA LEU A 9 -5.727 -11.229 1.721 1.00 0.00 ATOM 69 CB LEU A 9 -5.427 -11.516 3.194 1.00 0.00 ATOM 70 CG LEU A 9 -4.122 -10.938 3.745 1.00 0.00 ATOM 71 CD1 LEU A 9 -4.023 -11.168 5.245 1.00 0.00 ATOM 72 CD2 LEU A 9 -2.921 -11.595 3.082 1.00 0.00 ATOM 73 O LEU A 9 -6.982 -12.942 0.601 1.00 0.00 ATOM 74 C LEU A 9 -7.018 -11.948 1.325 1.00 0.00 ATOM 75 N VAL A 10 -8.128 -11.418 1.816 1.00 0.00 ATOM 76 CA VAL A 10 -9.397 -12.120 1.725 1.00 0.00 ATOM 77 CB VAL A 10 -10.470 -11.465 2.615 1.00 0.00 ATOM 78 CG1 VAL A 10 -11.830 -12.095 2.361 1.00 0.00 ATOM 79 CG2 VAL A 10 -10.124 -11.644 4.085 1.00 0.00 ATOM 80 O VAL A 10 -10.453 -13.073 -0.209 1.00 0.00 ATOM 81 C VAL A 10 -9.886 -12.095 0.276 1.00 0.00 ATOM 82 N CYS A 11 -9.649 -10.965 -0.376 1.00 0.00 ATOM 83 CA CYS A 11 -9.643 -10.926 -1.828 1.00 0.00 ATOM 84 CB CYS A 11 -10.417 -9.708 -2.334 1.00 0.00 ATOM 85 SG CYS A 11 -10.525 -9.587 -4.135 1.00 0.00 ATOM 86 O CYS A 11 -7.563 -9.788 -2.204 1.00 0.00 ATOM 87 C CYS A 11 -8.190 -10.842 -2.300 1.00 0.00 ATOM 88 N PRO A 12 -7.631 -11.945 -2.817 1.00 0.00 ATOM 89 CA PRO A 12 -6.179 -12.052 -2.973 1.00 0.00 ATOM 90 CB PRO A 12 -5.956 -13.513 -3.370 1.00 0.00 ATOM 91 CG PRO A 12 -7.231 -13.919 -4.030 1.00 0.00 ATOM 92 CD PRO A 12 -8.325 -13.175 -3.318 1.00 0.00 ATOM 93 O PRO A 12 -5.845 -11.339 -5.232 1.00 0.00 ATOM 94 C PRO A 12 -5.642 -11.112 -4.040 1.00 0.00 ATOM 95 N LEU A 13 -4.965 -10.070 -3.579 1.00 0.00 ATOM 96 CA LEU A 13 -4.199 -9.221 -4.475 1.00 0.00 ATOM 97 CB LEU A 13 -4.867 -7.852 -4.617 1.00 0.00 ATOM 98 CG LEU A 13 -6.282 -7.845 -5.198 1.00 0.00 ATOM 99 CD1 LEU A 13 -6.888 -6.452 -5.122 1.00 0.00 ATOM 100 CD2 LEU A 13 -6.266 -8.277 -6.657 1.00 0.00 ATOM 101 O LEU A 13 -2.556 -9.258 -2.724 1.00 0.00 ATOM 102 C LEU A 13 -2.789 -9.033 -3.911 1.00 0.00 ATOM 103 N CYS A 14 -1.884 -8.624 -4.789 1.00 0.00 ATOM 104 CA CYS A 14 -0.502 -8.413 -4.396 1.00 0.00 ATOM 105 CB CYS A 14 0.300 -9.708 -4.542 1.00 0.00 ATOM 106 SG CYS A 14 0.264 -10.425 -6.201 1.00 0.00 ATOM 107 O CYS A 14 1.008 -7.610 -6.080 1.00 0.00 ATOM 108 C CYS A 14 0.096 -7.335 -5.302 1.00 0.00 ATOM 109 N LYS A 15 -0.442 -6.131 -5.171 1.00 0.00 ATOM 110 CA LYS A 15 0.038 -5.008 -5.957 1.00 0.00 ATOM 111 CB LYS A 15 -1.112 -4.370 -6.738 1.00 0.00 ATOM 112 CG LYS A 15 -1.738 -5.284 -7.779 1.00 0.00 ATOM 113 CD LYS A 15 -2.828 -4.568 -8.559 1.00 0.00 ATOM 114 CE LYS A 15 -3.464 -5.487 -9.590 1.00 0.00 ATOM 115 NZ LYS A 15 -4.473 -4.775 -10.422 1.00 0.00 ATOM 116 O LYS A 15 -0.020 -3.470 -4.114 1.00 0.00 ATOM 117 C LYS A 15 0.648 -3.961 -5.023 1.00 0.00 ATOM 118 N GLY A 16 1.910 -3.650 -5.279 1.00 0.00 ATOM 119 CA GLY A 16 2.618 -2.670 -4.474 1.00 0.00 ATOM 120 O GLY A 16 4.712 -1.808 -5.272 1.00 0.00 ATOM 121 C GLY A 16 3.485 -1.763 -5.349 1.00 0.00 ATOM 122 N PRO A 17 2.867 -0.927 -6.195 1.00 0.00 ATOM 123 CA PRO A 17 3.623 0.070 -6.958 1.00 0.00 ATOM 124 CB PRO A 17 2.598 0.640 -7.940 1.00 0.00 ATOM 125 CG PRO A 17 1.287 0.486 -7.243 1.00 0.00 ATOM 126 CD PRO A 17 1.377 -0.798 -6.467 1.00 0.00 ATOM 127 O PRO A 17 3.894 1.221 -4.879 1.00 0.00 ATOM 128 C PRO A 17 4.192 1.165 -6.070 1.00 0.00 ATOM 129 N LEU A 18 5.006 2.014 -6.681 1.00 0.00 ATOM 130 CA LEU A 18 5.710 3.043 -5.936 1.00 0.00 ATOM 131 CB LEU A 18 7.218 2.785 -5.960 1.00 0.00 ATOM 132 CG LEU A 18 8.092 3.805 -5.228 1.00 0.00 ATOM 133 CD1 LEU A 18 7.763 3.827 -3.743 1.00 0.00 ATOM 134 CD2 LEU A 18 9.565 3.461 -5.384 1.00 0.00 ATOM 135 O LEU A 18 5.939 4.716 -7.643 1.00 0.00 ATOM 136 C LEU A 18 5.427 4.408 -6.567 1.00 0.00 ATOM 137 N VAL A 19 4.613 5.189 -5.873 1.00 0.00 ATOM 138 CA VAL A 19 4.537 6.615 -6.139 1.00 0.00 ATOM 139 CB VAL A 19 3.343 7.262 -5.413 1.00 0.00 ATOM 140 CG1 VAL A 19 3.267 8.747 -5.730 1.00 0.00 ATOM 141 CG2 VAL A 19 2.039 6.611 -5.848 1.00 0.00 ATOM 142 O VAL A 19 6.005 7.501 -4.459 1.00 0.00 ATOM 143 C VAL A 19 5.823 7.290 -5.656 1.00 0.00 ATOM 144 N PHE A 20 6.681 7.608 -6.614 1.00 0.00 ATOM 145 CA PHE A 20 8.090 7.807 -6.321 1.00 0.00 ATOM 146 CB PHE A 20 8.926 7.677 -7.596 1.00 0.00 ATOM 147 CG PHE A 20 10.408 7.735 -7.358 1.00 0.00 ATOM 148 CD1 PHE A 20 11.082 6.647 -6.831 1.00 0.00 ATOM 149 CD2 PHE A 20 11.128 8.878 -7.660 1.00 0.00 ATOM 150 CE1 PHE A 20 12.445 6.701 -6.611 1.00 0.00 ATOM 151 CE2 PHE A 20 12.491 8.931 -7.441 1.00 0.00 ATOM 152 CZ PHE A 20 13.150 7.849 -6.919 1.00 0.00 ATOM 153 O PHE A 20 9.285 9.393 -4.971 1.00 0.00 ATOM 154 C PHE A 20 8.336 9.196 -5.729 1.00 0.00 ATOM 155 N ASP A 21 7.465 10.124 -6.097 1.00 0.00 ATOM 156 CA ASP A 21 7.734 11.534 -5.873 1.00 0.00 ATOM 157 CB ASP A 21 6.964 12.393 -6.878 1.00 0.00 ATOM 158 CG ASP A 21 7.406 12.154 -8.308 1.00 0.00 ATOM 159 OD1 ASP A 21 8.630 12.149 -8.559 1.00 0.00 ATOM 160 OD2 ASP A 21 6.530 11.971 -9.179 1.00 0.00 ATOM 161 O ASP A 21 7.616 13.001 -3.976 1.00 0.00 ATOM 162 C ASP A 21 7.299 11.914 -4.456 1.00 0.00 ATOM 163 N LYS A 22 6.578 10.997 -3.827 1.00 0.00 ATOM 164 CA LYS A 22 6.128 11.206 -2.462 1.00 0.00 ATOM 165 CB LYS A 22 4.607 11.072 -2.373 1.00 0.00 ATOM 166 CG LYS A 22 3.843 12.130 -3.153 1.00 0.00 ATOM 167 CD LYS A 22 2.342 11.971 -2.975 1.00 0.00 ATOM 168 CE LYS A 22 1.576 12.938 -3.863 1.00 0.00 ATOM 169 NZ LYS A 22 0.103 12.766 -3.729 1.00 0.00 ATOM 170 O LYS A 22 6.354 9.981 -0.409 1.00 0.00 ATOM 171 C LYS A 22 6.776 10.161 -1.550 1.00 0.00 ATOM 172 N SER A 23 7.790 9.500 -2.089 1.00 0.00 ATOM 173 CA SER A 23 8.426 8.401 -1.382 1.00 0.00 ATOM 174 CB SER A 23 9.431 8.933 -0.358 1.00 0.00 ATOM 175 OG SER A 23 10.434 9.712 -0.985 1.00 0.00 ATOM 176 O SER A 23 7.413 7.450 0.576 1.00 0.00 ATOM 177 C SER A 23 7.371 7.571 -0.648 1.00 0.00 ATOM 178 N LYS A 24 6.450 7.022 -1.425 1.00 0.00 ATOM 179 CA LYS A 24 5.292 6.352 -0.856 1.00 0.00 ATOM 180 CB LYS A 24 4.095 7.304 -0.802 1.00 0.00 ATOM 181 CG LYS A 24 2.867 6.719 -0.123 1.00 0.00 ATOM 182 CD LYS A 24 1.772 7.761 0.029 1.00 0.00 ATOM 183 CE LYS A 24 0.595 7.214 0.820 1.00 0.00 ATOM 184 NZ LYS A 24 -0.450 8.249 1.049 1.00 0.00 ATOM 185 O LYS A 24 4.327 5.295 -2.783 1.00 0.00 ATOM 186 C LYS A 24 4.930 5.144 -1.722 1.00 0.00 ATOM 187 N ASP A 25 5.314 3.972 -1.236 1.00 0.00 ATOM 188 CA ASP A 25 4.646 2.744 -1.631 1.00 0.00 ATOM 189 CB ASP A 25 5.173 1.561 -0.816 1.00 0.00 ATOM 190 CG ASP A 25 6.612 1.218 -1.150 1.00 0.00 ATOM 191 OD1 ASP A 25 6.922 1.064 -2.350 1.00 0.00 ATOM 192 OD2 ASP A 25 7.428 1.104 -0.213 1.00 0.00 ATOM 193 O ASP A 25 2.721 3.349 -0.330 1.00 0.00 ATOM 194 C ASP A 25 3.142 2.886 -1.389 1.00 0.00 ATOM 195 N GLU A 26 2.372 2.479 -2.388 1.00 0.00 ATOM 196 CA GLU A 26 0.925 2.585 -2.310 1.00 0.00 ATOM 197 CB GLU A 26 0.439 3.836 -3.045 1.00 0.00 ATOM 198 CG GLU A 26 -1.068 4.031 -3.009 1.00 0.00 ATOM 199 CD GLU A 26 -1.500 5.345 -3.628 1.00 0.00 ATOM 200 OE1 GLU A 26 -0.617 6.141 -4.010 1.00 0.00 ATOM 201 OE2 GLU A 26 -2.723 5.580 -3.731 1.00 0.00 ATOM 202 O GLU A 26 0.536 1.039 -4.105 1.00 0.00 ATOM 203 C GLU A 26 0.268 1.360 -2.948 1.00 0.00 ATOM 204 N LEU A 27 -0.581 0.709 -2.166 1.00 0.00 ATOM 205 CA LEU A 27 -1.083 -0.603 -2.537 1.00 0.00 ATOM 206 CB LEU A 27 -1.478 -1.398 -1.291 1.00 0.00 ATOM 207 CG LEU A 27 -0.358 -1.693 -0.291 1.00 0.00 ATOM 208 CD1 LEU A 27 -0.897 -2.451 0.912 1.00 0.00 ATOM 209 CD2 LEU A 27 0.730 -2.537 -0.937 1.00 0.00 ATOM 210 O LEU A 27 -3.444 -0.567 -2.974 1.00 0.00 ATOM 211 C LEU A 27 -2.311 -0.439 -3.435 1.00 0.00 ATOM 212 N ILE A 28 -2.044 -0.159 -4.703 1.00 0.00 ATOM 213 CA ILE A 28 -3.112 0.095 -5.654 1.00 0.00 ATOM 214 CB ILE A 28 -2.592 0.828 -6.904 1.00 0.00 ATOM 215 CG1 ILE A 28 -1.901 2.134 -6.508 1.00 0.00 ATOM 216 CG2 ILE A 28 -3.740 1.157 -7.846 1.00 0.00 ATOM 217 CD1 ILE A 28 -1.181 2.816 -7.651 1.00 0.00 ATOM 218 O ILE A 28 -3.432 -1.735 -7.176 1.00 0.00 ATOM 219 C ILE A 28 -3.727 -1.236 -6.091 1.00 0.00 ATOM 220 N CYS A 29 -4.571 -1.775 -5.222 1.00 0.00 ATOM 221 CA CYS A 29 -5.131 -3.097 -5.444 1.00 0.00 ATOM 222 CB CYS A 29 -5.066 -3.929 -4.161 1.00 0.00 ATOM 223 SG CYS A 29 -3.392 -4.218 -3.542 1.00 0.00 ATOM 224 O CYS A 29 -7.496 -2.976 -5.045 1.00 0.00 ATOM 225 C CYS A 29 -6.590 -2.934 -5.876 1.00 0.00 ATOM 226 N LYS A 30 -6.773 -2.752 -7.176 1.00 0.00 ATOM 227 CA LYS A 30 -8.106 -2.767 -7.754 1.00 0.00 ATOM 228 CB LYS A 30 -8.045 -2.449 -9.249 1.00 0.00 ATOM 229 CG LYS A 30 -9.406 -2.365 -9.922 1.00 0.00 ATOM 230 CD LYS A 30 -9.276 -1.960 -11.381 1.00 0.00 ATOM 231 CE LYS A 30 -10.636 -1.893 -12.058 1.00 0.00 ATOM 232 NZ LYS A 30 -10.526 -1.483 -13.485 1.00 0.00 ATOM 233 O LYS A 30 -8.113 -5.163 -7.913 1.00 0.00 ATOM 234 C LYS A 30 -8.723 -4.154 -7.563 1.00 0.00 ATOM 235 N GLY A 31 -9.927 -4.160 -7.008 1.00 0.00 ATOM 236 CA GLY A 31 -10.597 -5.408 -6.688 1.00 0.00 ATOM 237 O GLY A 31 -11.899 -5.482 -8.704 1.00 0.00 ATOM 238 C GLY A 31 -11.133 -6.083 -7.952 1.00 0.00 ATOM 239 N ASP A 32 -10.709 -7.323 -8.148 1.00 0.00 ATOM 240 CA ASP A 32 -11.100 -8.070 -9.331 1.00 0.00 ATOM 241 CB ASP A 32 -10.020 -9.089 -9.703 1.00 0.00 ATOM 242 CG ASP A 32 -8.700 -8.434 -10.059 1.00 0.00 ATOM 243 OD1 ASP A 32 -8.690 -7.569 -10.960 1.00 0.00 ATOM 244 OD2 ASP A 32 -7.676 -8.787 -9.439 1.00 0.00 ATOM 245 O ASP A 32 -13.367 -8.695 -9.815 1.00 0.00 ATOM 246 C ASP A 32 -12.410 -8.810 -9.051 1.00 0.00 ATOM 247 N ARG A 33 -12.410 -9.554 -7.955 1.00 0.00 ATOM 248 CA ARG A 33 -13.574 -10.339 -7.583 1.00 0.00 ATOM 249 CB ARG A 33 -13.168 -11.502 -6.676 1.00 0.00 ATOM 250 CG ARG A 33 -12.345 -12.574 -7.372 1.00 0.00 ATOM 251 CD ARG A 33 -11.884 -13.640 -6.391 1.00 0.00 ATOM 252 NE ARG A 33 -11.151 -14.715 -7.055 1.00 0.00 ATOM 253 CZ ARG A 33 -10.649 -15.775 -6.430 1.00 0.00 ATOM 254 NH1 ARG A 33 -9.996 -16.702 -7.117 1.00 0.00 ATOM 255 NH2 ARG A 33 -10.802 -15.905 -5.119 1.00 0.00 ATOM 256 O ARG A 33 -15.761 -9.430 -7.190 1.00 0.00 ATOM 257 C ARG A 33 -14.584 -9.468 -6.834 1.00 0.00 ATOM 258 N LEU A 34 -14.088 -8.789 -5.810 1.00 0.00 ATOM 259 CA LEU A 34 -14.931 -7.913 -5.013 1.00 0.00 ATOM 260 CB LEU A 34 -14.668 -8.128 -3.521 1.00 0.00 ATOM 261 CG LEU A 34 -14.898 -9.544 -2.989 1.00 0.00 ATOM 262 CD1 LEU A 34 -14.521 -9.634 -1.519 1.00 0.00 ATOM 263 CD2 LEU A 34 -16.360 -9.940 -3.130 1.00 0.00 ATOM 264 O LEU A 34 -13.529 -6.144 -5.831 1.00 0.00 ATOM 265 C LEU A 34 -14.625 -6.457 -5.370 1.00 0.00 ATOM 266 N ALA A 35 -15.615 -5.605 -5.142 1.00 0.00 ATOM 267 CA ALA A 35 -15.479 -4.196 -5.468 1.00 0.00 ATOM 268 CB ALA A 35 -16.839 -3.591 -5.782 1.00 0.00 ATOM 269 O ALA A 35 -15.588 -2.945 -3.421 1.00 0.00 ATOM 270 C ALA A 35 -14.866 -3.458 -4.276 1.00 0.00 ATOM 271 N PHE A 36 -13.542 -3.428 -4.256 1.00 0.00 ATOM 272 CA PHE A 36 -12.826 -2.576 -3.322 1.00 0.00 ATOM 273 CB PHE A 36 -12.491 -3.346 -2.043 1.00 0.00 ATOM 274 CG PHE A 36 -13.696 -3.883 -1.325 1.00 0.00 ATOM 275 CD1 PHE A 36 -14.060 -5.212 -1.451 1.00 0.00 ATOM 276 CD2 PHE A 36 -14.466 -3.058 -0.523 1.00 0.00 ATOM 277 CE1 PHE A 36 -15.169 -5.705 -0.791 1.00 0.00 ATOM 278 CE2 PHE A 36 -15.574 -3.552 0.138 1.00 0.00 ATOM 279 CZ PHE A 36 -15.927 -4.869 0.007 1.00 0.00 ATOM 280 O PHE A 36 -10.455 -2.645 -3.692 1.00 0.00 ATOM 281 C PHE A 36 -11.517 -2.072 -3.932 1.00 0.00 ATOM 282 N PRO A 37 -11.567 -0.995 -4.728 1.00 0.00 ATOM 283 CA PRO A 37 -10.371 -0.188 -4.982 1.00 0.00 ATOM 284 CB PRO A 37 -10.803 0.775 -6.089 1.00 0.00 ATOM 285 CG PRO A 37 -12.283 0.881 -5.936 1.00 0.00 ATOM 286 CD PRO A 37 -12.749 -0.462 -5.449 1.00 0.00 ATOM 287 O PRO A 37 -10.731 1.169 -3.046 1.00 0.00 ATOM 288 C PRO A 37 -9.916 0.573 -3.748 1.00 0.00 ATOM 289 N ILE A 38 -8.612 0.532 -3.514 1.00 0.00 ATOM 290 CA ILE A 38 -8.057 1.059 -2.279 1.00 0.00 ATOM 291 CB ILE A 38 -7.833 -0.055 -1.240 1.00 0.00 ATOM 292 CG1 ILE A 38 -6.883 -1.118 -1.794 1.00 0.00 ATOM 293 CG2 ILE A 38 -9.152 -0.726 -0.885 1.00 0.00 ATOM 294 CD1 ILE A 38 -6.467 -2.157 -0.776 1.00 0.00 ATOM 295 O ILE A 38 -6.038 1.374 -3.539 1.00 0.00 ATOM 296 C ILE A 38 -6.712 1.727 -2.573 1.00 0.00 ATOM 297 N LYS A 39 -6.363 2.681 -1.722 1.00 0.00 ATOM 298 CA LYS A 39 -5.087 3.365 -1.848 1.00 0.00 ATOM 299 CB LYS A 39 -5.292 4.791 -2.364 1.00 0.00 ATOM 300 CG LYS A 39 -5.872 4.865 -3.767 1.00 0.00 ATOM 301 CD LYS A 39 -6.001 6.305 -4.236 1.00 0.00 ATOM 302 CE LYS A 39 -6.632 6.383 -5.616 1.00 0.00 ATOM 303 NZ LYS A 39 -6.748 7.788 -6.096 1.00 0.00 ATOM 304 O LYS A 39 -4.133 4.505 0.037 1.00 0.00 ATOM 305 C LYS A 39 -4.407 3.423 -0.479 1.00 0.00 ATOM 306 N ASP A 40 -4.153 2.244 0.070 1.00 0.00 ATOM 307 CA ASP A 40 -3.424 2.143 1.322 1.00 0.00 ATOM 308 CB ASP A 40 -3.389 0.692 1.806 1.00 0.00 ATOM 309 CG ASP A 40 -2.714 0.544 3.155 1.00 0.00 ATOM 310 OD1 ASP A 40 -2.154 1.544 3.652 1.00 0.00 ATOM 311 OD2 ASP A 40 -2.744 -0.572 3.716 1.00 0.00 ATOM 312 O ASP A 40 -1.210 2.001 0.404 1.00 0.00 ATOM 313 C ASP A 40 -1.990 2.634 1.114 1.00 0.00 ATOM 314 N GLY A 41 -1.686 3.758 1.745 1.00 0.00 ATOM 315 CA GLY A 41 -0.380 4.375 1.588 1.00 0.00 ATOM 316 O GLY A 41 0.122 3.986 3.903 1.00 0.00 ATOM 317 C GLY A 41 0.545 4.004 2.748 1.00 0.00 ATOM 318 N ILE A 42 1.791 3.717 2.401 1.00 0.00 ATOM 319 CA ILE A 42 2.839 3.601 3.401 1.00 0.00 ATOM 320 CB ILE A 42 3.603 2.271 3.266 1.00 0.00 ATOM 321 CG1 ILE A 42 2.642 1.088 3.398 1.00 0.00 ATOM 322 CG2 ILE A 42 4.664 2.154 4.350 1.00 0.00 ATOM 323 CD1 ILE A 42 3.277 -0.251 3.093 1.00 0.00 ATOM 324 O ILE A 42 4.807 4.631 2.488 1.00 0.00 ATOM 325 C ILE A 42 3.832 4.753 3.228 1.00 0.00 ATOM 326 N PRO A 43 3.604 5.887 3.905 1.00 0.00 ATOM 327 CA PRO A 43 4.482 7.049 3.746 1.00 0.00 ATOM 328 CB PRO A 43 3.755 8.168 4.494 1.00 0.00 ATOM 329 CG PRO A 43 2.913 7.458 5.501 1.00 0.00 ATOM 330 CD PRO A 43 2.504 6.160 4.862 1.00 0.00 ATOM 331 O PRO A 43 5.995 6.222 5.404 1.00 0.00 ATOM 332 C PRO A 43 5.864 6.813 4.333 1.00 0.00 ATOM 333 N MET A 44 6.868 7.286 3.609 1.00 0.00 ATOM 334 CA MET A 44 8.237 7.212 4.090 1.00 0.00 ATOM 335 CB MET A 44 8.999 6.099 3.368 1.00 0.00 ATOM 336 CG MET A 44 8.432 4.708 3.599 1.00 0.00 ATOM 337 SD MET A 44 8.622 4.153 5.304 1.00 0.00 ATOM 338 CE MET A 44 10.387 3.856 5.369 1.00 0.00 ATOM 339 O MET A 44 8.382 9.501 3.380 1.00 0.00 ATOM 340 C MET A 44 8.975 8.530 3.848 1.00 0.00 ATOM 341 N MET A 45 10.258 8.522 4.177 1.00 0.00 ATOM 342 CA MET A 45 11.161 9.553 3.695 1.00 0.00 ATOM 343 CB MET A 45 11.399 10.607 4.779 1.00 0.00 ATOM 344 CG MET A 45 12.193 11.814 4.307 1.00 0.00 ATOM 345 SD MET A 45 11.384 12.695 2.958 1.00 0.00 ATOM 346 CE MET A 45 9.916 13.303 3.782 1.00 0.00 ATOM 347 O MET A 45 13.557 9.564 3.546 1.00 0.00 ATOM 348 C MET A 45 12.515 8.957 3.304 1.00 0.00 ATOM 349 N LEU A 46 12.455 7.776 2.706 1.00 0.00 ATOM 350 CA LEU A 46 13.661 7.011 2.438 1.00 0.00 ATOM 351 CB LEU A 46 13.821 5.887 3.463 1.00 0.00 ATOM 352 CG LEU A 46 14.002 6.318 4.920 1.00 0.00 ATOM 353 CD1 LEU A 46 13.900 5.121 5.852 1.00 0.00 ATOM 354 CD2 LEU A 46 15.363 6.965 5.124 1.00 0.00 ATOM 355 O LEU A 46 13.282 5.215 0.891 1.00 0.00 ATOM 356 C LEU A 46 13.572 6.401 1.038 1.00 0.00 ATOM 357 N GLU A 47 13.826 7.240 0.044 1.00 0.00 ATOM 358 CA GLU A 47 13.519 6.886 -1.331 1.00 0.00 ATOM 359 CB GLU A 47 13.967 7.997 -2.283 1.00 0.00 ATOM 360 CG GLU A 47 13.132 9.263 -2.196 1.00 0.00 ATOM 361 CD GLU A 47 13.678 10.382 -3.061 1.00 0.00 ATOM 362 OE1 GLU A 47 14.751 10.191 -3.671 1.00 0.00 ATOM 363 OE2 GLU A 47 13.033 11.450 -3.129 1.00 0.00 ATOM 364 O GLU A 47 13.695 4.775 -2.462 1.00 0.00 ATOM 365 C GLU A 47 14.238 5.593 -1.720 1.00 0.00 ATOM 366 N SER A 48 15.448 5.447 -1.202 1.00 0.00 ATOM 367 CA SER A 48 16.241 4.260 -1.472 1.00 0.00 ATOM 368 CB SER A 48 17.585 4.336 -0.744 1.00 0.00 ATOM 369 OG SER A 48 18.390 5.379 -1.267 1.00 0.00 ATOM 370 O SER A 48 15.275 2.082 -1.767 1.00 0.00 ATOM 371 C SER A 48 15.494 3.013 -0.994 1.00 0.00 ATOM 372 N GLU A 49 15.124 3.035 0.278 1.00 0.00 ATOM 373 CA GLU A 49 14.484 1.884 0.891 1.00 0.00 ATOM 374 CB GLU A 49 14.259 2.128 2.385 1.00 0.00 ATOM 375 CG GLU A 49 15.535 2.130 3.212 1.00 0.00 ATOM 376 CD GLU A 49 15.288 2.496 4.662 1.00 0.00 ATOM 377 OE1 GLU A 49 14.131 2.820 5.004 1.00 0.00 ATOM 378 OE2 GLU A 49 16.251 2.459 5.456 1.00 0.00 ATOM 379 O GLU A 49 12.747 0.464 0.037 1.00 0.00 ATOM 380 C GLU A 49 13.129 1.616 0.234 1.00 0.00 ATOM 381 N ALA A 50 12.439 2.701 -0.087 1.00 0.00 ATOM 382 CA ALA A 50 11.140 2.598 -0.731 1.00 0.00 ATOM 383 CB ALA A 50 10.668 3.968 -1.195 1.00 0.00 ATOM 384 O ALA A 50 10.416 0.782 -2.125 1.00 0.00 ATOM 385 C ALA A 50 11.249 1.669 -1.942 1.00 0.00 ATOM 386 N ARG A 51 12.281 1.905 -2.738 1.00 0.00 ATOM 387 CA ARG A 51 12.476 1.140 -3.958 1.00 0.00 ATOM 388 CB ARG A 51 13.773 1.560 -4.652 1.00 0.00 ATOM 389 CG ARG A 51 13.721 2.944 -5.278 1.00 0.00 ATOM 390 CD ARG A 51 15.065 3.331 -5.874 1.00 0.00 ATOM 391 NE ARG A 51 15.039 4.670 -6.460 1.00 0.00 ATOM 392 CZ ARG A 51 16.107 5.292 -6.949 1.00 0.00 ATOM 393 NH1 ARG A 51 15.988 6.509 -7.462 1.00 0.00 ATOM 394 NH2 ARG A 51 17.291 4.696 -6.923 1.00 0.00 ATOM 395 O ARG A 51 12.111 -1.186 -4.429 1.00 0.00 ATOM 396 C ARG A 51 12.557 -0.355 -3.640 1.00 0.00 ATOM 397 N GLU A 52 13.129 -0.651 -2.482 1.00 0.00 ATOM 398 CA GLU A 52 13.376 -2.031 -2.101 1.00 0.00 ATOM 399 CB GLU A 52 14.522 -2.111 -1.090 1.00 0.00 ATOM 400 CG GLU A 52 15.873 -1.698 -1.651 1.00 0.00 ATOM 401 CD GLU A 52 16.979 -1.769 -0.616 1.00 0.00 ATOM 402 OE1 GLU A 52 16.698 -2.189 0.526 1.00 0.00 ATOM 403 OE2 GLU A 52 18.127 -1.406 -0.948 1.00 0.00 ATOM 404 O GLU A 52 11.977 -3.858 -1.414 1.00 0.00 ATOM 405 C GLU A 52 12.123 -2.638 -1.465 1.00 0.00 ATOM 406 N LEU A 53 11.251 -1.757 -0.995 1.00 0.00 ATOM 407 CA LEU A 53 10.079 -2.188 -0.252 1.00 0.00 ATOM 408 CB LEU A 53 9.587 -1.069 0.669 1.00 0.00 ATOM 409 CG LEU A 53 10.531 -0.659 1.801 1.00 0.00 ATOM 410 CD1 LEU A 53 9.965 0.525 2.570 1.00 0.00 ATOM 411 CD2 LEU A 53 10.730 -1.809 2.777 1.00 0.00 ATOM 412 O LEU A 53 8.153 -3.436 -0.959 1.00 0.00 ATOM 413 C LEU A 53 8.964 -2.553 -1.235 1.00 0.00 ATOM 414 N ALA A 54 8.960 -1.854 -2.361 1.00 0.00 ATOM 415 CA ALA A 54 7.926 -2.056 -3.362 1.00 0.00 ATOM 416 CB ALA A 54 8.349 -1.450 -4.691 1.00 0.00 ATOM 417 O ALA A 54 6.589 -4.049 -3.302 1.00 0.00 ATOM 418 C ALA A 54 7.689 -3.556 -3.549 1.00 0.00 ATOM 419 N PRO A 55 8.710 -4.305 -3.986 1.00 0.00 ATOM 420 CA PRO A 55 8.528 -5.727 -4.289 1.00 0.00 ATOM 421 CB PRO A 55 9.843 -6.135 -4.956 1.00 0.00 ATOM 422 CG PRO A 55 10.834 -5.127 -4.476 1.00 0.00 ATOM 423 CD PRO A 55 10.075 -3.839 -4.320 1.00 0.00 ATOM 424 O PRO A 55 7.581 -7.569 -3.093 1.00 0.00 ATOM 425 C PRO A 55 8.274 -6.554 -3.039 1.00 0.00 ATOM 426 N GLU A 56 8.847 -6.095 -1.937 1.00 0.00 ATOM 427 CA GLU A 56 8.749 -6.823 -0.683 1.00 0.00 ATOM 428 CB GLU A 56 9.518 -6.094 0.421 1.00 0.00 ATOM 429 CG GLU A 56 11.029 -6.144 0.262 1.00 0.00 ATOM 430 CD GLU A 56 11.752 -5.311 1.301 1.00 0.00 ATOM 431 OE1 GLU A 56 11.070 -4.635 2.100 1.00 0.00 ATOM 432 OE2 GLU A 56 13.001 -5.333 1.317 1.00 0.00 ATOM 433 O GLU A 56 6.855 -8.010 0.193 1.00 0.00 ATOM 434 C GLU A 56 7.285 -6.948 -0.255 1.00 0.00 ATOM 435 N GLU A 57 6.560 -5.850 -0.409 1.00 0.00 ATOM 436 CA GLU A 57 5.158 -5.819 -0.030 1.00 0.00 ATOM 437 CB GLU A 57 4.561 -4.436 -0.297 1.00 0.00 ATOM 438 CG GLU A 57 5.062 -3.352 0.644 1.00 0.00 ATOM 439 CD GLU A 57 4.546 -1.975 0.274 1.00 0.00 ATOM 440 OE1 GLU A 57 3.857 -1.857 -0.761 1.00 0.00 ATOM 441 OE2 GLU A 57 4.830 -1.014 1.019 1.00 0.00 ATOM 442 O GLU A 57 3.454 -7.487 -0.311 1.00 0.00 ATOM 443 C GLU A 57 4.368 -6.853 -0.835 1.00 0.00 ATOM 444 N GLU A 58 4.749 -6.990 -2.097 1.00 0.00 ATOM 445 CA GLU A 58 4.054 -7.897 -2.994 1.00 0.00 ATOM 446 CB GLU A 58 4.559 -7.724 -4.428 1.00 0.00 ATOM 447 CG GLU A 58 4.156 -6.409 -5.074 1.00 0.00 ATOM 448 CD GLU A 58 4.791 -6.211 -6.436 1.00 0.00 ATOM 449 OE1 GLU A 58 5.601 -7.069 -6.845 1.00 0.00 ATOM 450 OE2 GLU A 58 4.478 -5.197 -7.095 1.00 0.00 ATOM 451 O GLU A 58 3.340 -10.125 -2.452 1.00 0.00 ATOM 452 C GLU A 58 4.287 -9.348 -2.568 1.00 0.00 ATOM 453 N VAL A 59 5.553 -9.670 -2.347 1.00 0.00 ATOM 454 CA VAL A 59 5.912 -10.976 -1.820 1.00 0.00 ATOM 455 CB VAL A 59 7.423 -11.076 -1.541 1.00 0.00 ATOM 456 CG1 VAL A 59 7.745 -12.370 -0.809 1.00 0.00 ATOM 457 CG2 VAL A 59 8.208 -11.053 -2.844 1.00 0.00 ATOM 458 O VAL A 59 4.531 -12.261 -0.334 1.00 0.00 ATOM 459 C VAL A 59 5.158 -11.217 -0.510 1.00 0.00 ATOM 460 N LYS A 60 5.244 -10.235 0.375 1.00 0.00 ATOM 461 CA LYS A 60 4.579 -10.328 1.663 1.00 0.00 ATOM 462 CB LYS A 60 4.657 -8.992 2.404 1.00 0.00 ATOM 463 CG LYS A 60 6.058 -8.617 2.862 1.00 0.00 ATOM 464 CD LYS A 60 6.060 -7.290 3.602 1.00 0.00 ATOM 465 CE LYS A 60 7.470 -6.879 3.996 1.00 0.00 ATOM 466 NZ LYS A 60 7.480 -5.617 4.786 1.00 0.00 ATOM 467 O LYS A 60 2.634 -11.703 1.969 1.00 0.00 ATOM 468 C LYS A 60 3.109 -10.694 1.448 1.00 0.00 ATOM 469 N LEU A 61 2.430 -9.856 0.680 1.00 0.00 ATOM 470 CA LEU A 61 0.986 -9.959 0.553 1.00 0.00 ATOM 471 CB LEU A 61 0.449 -8.859 -0.364 1.00 0.00 ATOM 472 CG LEU A 61 0.515 -7.430 0.180 1.00 0.00 ATOM 473 CD1 LEU A 61 0.123 -6.427 -0.894 1.00 0.00 ATOM 474 CD2 LEU A 61 -0.431 -7.259 1.359 1.00 0.00 ATOM 475 O LEU A 61 -0.384 -11.918 0.330 1.00 0.00 ATOM 476 C LEU A 61 0.627 -11.323 -0.040 1.00 0.00 ATOM 477 N GLU A 62 1.475 -11.779 -0.950 1.00 0.00 ATOM 478 CA GLU A 62 1.304 -13.096 -1.539 1.00 0.00 ATOM 479 CB GLU A 62 2.442 -13.398 -2.517 1.00 0.00 ATOM 480 CG GLU A 62 2.319 -14.741 -3.216 1.00 0.00 ATOM 481 CD GLU A 62 3.444 -14.990 -4.201 1.00 0.00 ATOM 482 OE1 GLU A 62 4.314 -14.105 -4.346 1.00 0.00 ATOM 483 OE2 GLU A 62 3.457 -16.071 -4.828 1.00 0.00 ATOM 484 O GLU A 62 0.419 -15.023 -0.413 1.00 0.00 ATOM 485 C GLU A 62 1.303 -14.169 -0.448 1.00 0.00 ATOM 486 N HIS A 63 2.304 -14.089 0.417 1.00 0.00 ATOM 487 CA HIS A 63 2.527 -15.135 1.402 1.00 0.00 ATOM 488 CB HIS A 63 3.949 -15.051 1.960 1.00 0.00 ATOM 489 CG HIS A 63 5.010 -15.404 0.966 1.00 0.00 ATOM 490 CD2 HIS A 63 5.038 -16.055 -0.336 1.00 0.00 ATOM 491 ND1 HIS A 63 6.344 -15.120 1.167 1.00 0.00 ATOM 492 CE1 HIS A 63 7.049 -15.555 0.108 1.00 0.00 ATOM 493 NE2 HIS A 63 6.272 -16.117 -0.798 1.00 0.00 ATOM 494 O HIS A 63 1.252 -15.933 3.272 1.00 0.00 ATOM 495 C HIS A 63 1.533 -14.976 2.553 1.00 0.00 ATOM 496 N HIS A 64 1.027 -13.759 2.693 1.00 0.00 ATOM 497 CA HIS A 64 0.204 -13.418 3.840 1.00 0.00 ATOM 498 CB HIS A 64 0.103 -11.899 3.995 1.00 0.00 ATOM 499 CG HIS A 64 1.395 -11.243 4.370 1.00 0.00 ATOM 500 CD2 HIS A 64 2.668 -11.693 4.917 1.00 0.00 ATOM 501 ND1 HIS A 64 1.611 -9.889 4.233 1.00 0.00 ATOM 502 CE1 HIS A 64 2.856 -9.599 4.650 1.00 0.00 ATOM 503 NE2 HIS A 64 3.496 -10.676 5.062 1.00 0.00 ATOM 504 O HIS A 64 -1.889 -14.294 4.626 1.00 0.00 ATOM 505 C HIS A 64 -1.202 -13.991 3.651 1.00 0.00 ATOM 506 N HIS A 65 -1.589 -14.121 2.391 1.00 0.00 ATOM 507 CA HIS A 65 -2.831 -14.797 2.055 1.00 0.00 ATOM 508 CB HIS A 65 -3.100 -14.708 0.551 1.00 0.00 ATOM 509 CG HIS A 65 -4.451 -15.211 0.148 1.00 0.00 ATOM 510 CD2 HIS A 65 -5.677 -15.567 0.847 1.00 0.00 ATOM 511 ND1 HIS A 65 -4.794 -15.454 -1.164 1.00 0.00 ATOM 512 CE1 HIS A 65 -6.064 -15.895 -1.210 1.00 0.00 ATOM 513 NE2 HIS A 65 -6.600 -15.965 -0.007 1.00 0.00 ATOM 514 O HIS A 65 -3.718 -16.857 2.912 1.00 0.00 ATOM 515 C HIS A 65 -2.738 -16.271 2.455 1.00 0.00 ATOM 516 N HIS A 66 -1.550 -16.827 2.269 1.00 0.00 ATOM 517 CA HIS A 66 -1.331 -18.236 2.549 1.00 0.00 ATOM 518 CB HIS A 66 0.006 -18.697 1.965 1.00 0.00 ATOM 519 CG HIS A 66 0.292 -20.150 2.183 1.00 0.00 ATOM 520 CD2 HIS A 66 1.233 -20.914 2.990 1.00 0.00 ATOM 521 ND1 HIS A 66 -0.411 -21.150 1.546 1.00 0.00 ATOM 522 CE1 HIS A 66 0.071 -22.343 1.941 1.00 0.00 ATOM 523 NE2 HIS A 66 1.056 -22.208 2.807 1.00 0.00 ATOM 524 O HIS A 66 -1.795 -19.486 4.545 1.00 0.00 ATOM 525 C HIS A 66 -1.315 -18.462 4.062 1.00 0.00 ATOM 526 N HIS A 67 -0.757 -17.489 4.767 1.00 0.00 ATOM 527 CA HIS A 67 -0.602 -17.603 6.208 1.00 0.00 ATOM 528 CB HIS A 67 0.380 -16.550 6.726 1.00 0.00 ATOM 529 CG HIS A 67 1.791 -16.767 6.275 1.00 0.00 ATOM 530 CD2 HIS A 67 2.530 -17.864 5.668 1.00 0.00 ATOM 531 ND1 HIS A 67 2.765 -15.798 6.386 1.00 0.00 ATOM 532 CE1 HIS A 67 3.922 -16.282 5.901 1.00 0.00 ATOM 533 NE2 HIS A 67 3.788 -17.521 5.468 1.00 0.00 ATOM 534 O HIS A 67 -2.297 -18.105 7.832 1.00 0.00 ATOM 535 C HIS A 67 -1.957 -17.394 6.888 1.00 0.00 ATOM 536 N HIS A 68 -2.693 -16.417 6.381 1.00 0.00 ATOM 537 CA HIS A 68 -4.049 -16.180 6.849 1.00 0.00 ATOM 538 CB HIS A 68 -4.134 -14.844 7.590 1.00 0.00 ATOM 539 CG HIS A 68 -3.230 -14.755 8.780 1.00 0.00 ATOM 540 CD2 HIS A 68 -1.945 -14.133 9.063 1.00 0.00 ATOM 541 ND1 HIS A 68 -3.529 -15.347 9.988 1.00 0.00 ATOM 542 CE1 HIS A 68 -2.535 -15.094 10.858 1.00 0.00 ATOM 543 NE2 HIS A 68 -1.581 -14.366 10.309 1.00 0.00 ATOM 544 O HIS A 68 -5.299 -15.077 5.121 1.00 0.00 ATOM 545 C HIS A 68 -5.005 -16.146 5.655 1.00 0.00 ENDMDL