USER MOD reduce.3.24.130724 H: found=0, std=0, add=162, rem=0, adj=3 USER MOD reduce.3.24.130724 removed 162 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 LEU N :NH3+ -172:sc=-0.00214 (180deg=-0.0893) USER MOD Single : A 6 CYS SG : rot 180:sc= 0 USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 23.906 24.354 6.875 1.00 0.00 N ATOM 2 CA LEU A 1 23.688 23.886 8.260 1.00 0.00 C ATOM 3 C LEU A 1 25.022 23.821 9.011 1.00 0.00 C ATOM 4 O LEU A 1 25.659 22.769 9.064 1.00 0.00 O ATOM 5 CB LEU A 1 22.962 22.525 8.296 1.00 0.00 C ATOM 6 CG LEU A 1 21.566 22.512 7.645 1.00 0.00 C ATOM 7 CD1 LEU A 1 20.962 21.113 7.767 1.00 0.00 C ATOM 8 CD2 LEU A 1 20.603 23.518 8.270 1.00 0.00 C ATOM 0 H1 LEU A 1 22.988 24.524 6.417 1.00 0.00 H new ATOM 0 H2 LEU A 1 24.455 25.237 6.889 1.00 0.00 H new ATOM 0 H3 LEU A 1 24.429 23.630 6.342 1.00 0.00 H new ATOM 0 HA LEU A 1 23.040 24.605 8.761 1.00 0.00 H new ATOM 0 HB2 LEU A 1 23.586 21.784 7.796 1.00 0.00 H new ATOM 0 HB3 LEU A 1 22.864 22.210 9.335 1.00 0.00 H new ATOM 0 HG LEU A 1 21.703 22.795 6.601 1.00 0.00 H new ATOM 0 HD11 LEU A 1 19.974 21.102 7.307 1.00 0.00 H new ATOM 0 HD12 LEU A 1 21.606 20.393 7.261 1.00 0.00 H new ATOM 0 HD13 LEU A 1 20.875 20.845 8.820 1.00 0.00 H new ATOM 0 HD21 LEU A 1 19.638 23.459 7.767 1.00 0.00 H new ATOM 0 HD22 LEU A 1 20.475 23.290 9.328 1.00 0.00 H new ATOM 0 HD23 LEU A 1 21.007 24.524 8.162 1.00 0.00 H new ATOM 22 N GLU A 2 25.468 24.924 9.613 1.00 0.00 N ATOM 23 CA GLU A 2 26.685 24.996 10.451 1.00 0.00 C ATOM 24 C GLU A 2 26.403 24.567 11.913 1.00 0.00 C ATOM 25 O GLU A 2 26.760 25.262 12.866 1.00 0.00 O ATOM 26 CB GLU A 2 27.310 26.408 10.362 1.00 0.00 C ATOM 27 CG GLU A 2 27.933 26.751 8.995 1.00 0.00 C ATOM 28 CD GLU A 2 29.246 26.012 8.682 1.00 0.00 C ATOM 29 OE1 GLU A 2 29.867 25.393 9.581 1.00 0.00 O ATOM 30 OE2 GLU A 2 29.679 26.030 7.503 1.00 0.00 O ATOM 0 H GLU A 2 24.987 25.820 9.535 1.00 0.00 H new ATOM 0 HA GLU A 2 27.413 24.284 10.063 1.00 0.00 H new ATOM 0 HB2 GLU A 2 26.541 27.146 10.591 1.00 0.00 H new ATOM 0 HB3 GLU A 2 28.078 26.499 11.130 1.00 0.00 H new ATOM 0 HG2 GLU A 2 27.208 26.523 8.213 1.00 0.00 H new ATOM 0 HG3 GLU A 2 28.118 27.824 8.954 1.00 0.00 H new ATOM 37 N ALA A 3 25.705 23.441 12.104 1.00 0.00 N ATOM 38 CA ALA A 3 25.383 22.855 13.410 1.00 0.00 C ATOM 39 C ALA A 3 26.596 22.133 14.040 1.00 0.00 C ATOM 40 O ALA A 3 26.655 20.897 14.072 1.00 0.00 O ATOM 41 CB ALA A 3 24.158 21.939 13.256 1.00 0.00 C ATOM 0 H ALA A 3 25.336 22.894 11.326 1.00 0.00 H new ATOM 0 HA ALA A 3 25.134 23.652 14.110 1.00 0.00 H new ATOM 0 HB1 ALA A 3 23.910 21.498 14.221 1.00 0.00 H new ATOM 0 HB2 ALA A 3 23.311 22.522 12.895 1.00 0.00 H new ATOM 0 HB3 ALA A 3 24.384 21.147 12.542 1.00 0.00 H new ATOM 47 N ILE A 4 27.588 22.907 14.496 1.00 0.00 N ATOM 48 CA ILE A 4 28.846 22.411 15.084 1.00 0.00 C ATOM 49 C ILE A 4 28.583 21.342 16.169 1.00 0.00 C ATOM 50 O ILE A 4 27.806 21.601 17.103 1.00 0.00 O ATOM 51 CB ILE A 4 29.688 23.581 15.649 1.00 0.00 C ATOM 52 CG1 ILE A 4 30.068 24.582 14.531 1.00 0.00 C ATOM 53 CG2 ILE A 4 30.965 23.064 16.341 1.00 0.00 C ATOM 54 CD1 ILE A 4 30.894 25.780 15.020 1.00 0.00 C ATOM 0 H ILE A 4 27.540 23.925 14.467 1.00 0.00 H new ATOM 0 HA ILE A 4 29.417 21.934 14.288 1.00 0.00 H new ATOM 0 HB ILE A 4 29.074 24.096 16.388 1.00 0.00 H new ATOM 0 HG12 ILE A 4 30.632 24.055 13.762 1.00 0.00 H new ATOM 0 HG13 ILE A 4 29.156 24.950 14.062 1.00 0.00 H new ATOM 0 HG21 ILE A 4 31.536 23.908 16.728 1.00 0.00 H new ATOM 0 HG22 ILE A 4 30.691 22.404 17.164 1.00 0.00 H new ATOM 0 HG23 ILE A 4 31.572 22.515 15.621 1.00 0.00 H new ATOM 0 HD11 ILE A 4 31.120 26.434 14.178 1.00 0.00 H new ATOM 0 HD12 ILE A 4 30.325 26.333 15.767 1.00 0.00 H new ATOM 0 HD13 ILE A 4 31.824 25.424 15.463 1.00 0.00 H new ATOM 66 N PRO A 5 29.229 20.159 16.105 1.00 0.00 N ATOM 67 CA PRO A 5 29.076 19.120 17.118 1.00 0.00 C ATOM 68 C PRO A 5 29.685 19.543 18.461 1.00 0.00 C ATOM 69 O PRO A 5 30.734 20.194 18.538 1.00 0.00 O ATOM 70 CB PRO A 5 29.761 17.875 16.545 1.00 0.00 C ATOM 71 CG PRO A 5 30.822 18.449 15.609 1.00 0.00 C ATOM 72 CD PRO A 5 30.167 19.722 15.077 1.00 0.00 C ATOM 0 HA PRO A 5 28.025 18.926 17.332 1.00 0.00 H new ATOM 0 HB2 PRO A 5 30.207 17.265 17.331 1.00 0.00 H new ATOM 0 HB3 PRO A 5 29.055 17.239 16.010 1.00 0.00 H new ATOM 0 HG2 PRO A 5 31.751 18.665 16.137 1.00 0.00 H new ATOM 0 HG3 PRO A 5 31.067 17.756 14.804 1.00 0.00 H new ATOM 0 HD2 PRO A 5 30.914 20.491 14.880 1.00 0.00 H new ATOM 0 HD3 PRO A 5 29.651 19.530 14.136 1.00 0.00 H new ATOM 80 N CYS A 6 29.030 19.135 19.540 1.00 0.00 N ATOM 81 CA CYS A 6 29.487 19.322 20.913 1.00 0.00 C ATOM 82 C CYS A 6 29.007 18.165 21.803 1.00 0.00 C ATOM 83 O CYS A 6 28.069 17.443 21.449 1.00 0.00 O ATOM 84 CB CYS A 6 29.029 20.705 21.414 1.00 0.00 C ATOM 85 SG CYS A 6 27.229 20.924 21.296 1.00 0.00 S ATOM 0 H CYS A 6 28.136 18.648 19.483 1.00 0.00 H new ATOM 0 HA CYS A 6 30.576 19.302 20.956 1.00 0.00 H new ATOM 0 HB2 CYS A 6 29.341 20.834 22.450 1.00 0.00 H new ATOM 0 HB3 CYS A 6 29.526 21.482 20.832 1.00 0.00 H new ATOM 0 HG CYS A 6 26.906 22.105 21.734 1.00 0.00 H new ATOM 91 N SER A 7 29.662 17.995 22.954 1.00 0.00 N ATOM 92 CA SER A 7 29.379 16.928 23.931 1.00 0.00 C ATOM 93 C SER A 7 29.526 17.407 25.385 1.00 0.00 C ATOM 94 O SER A 7 29.813 16.624 26.295 1.00 0.00 O ATOM 95 CB SER A 7 30.283 15.723 23.650 1.00 0.00 C ATOM 96 OG SER A 7 29.601 14.547 24.038 1.00 0.00 O ATOM 0 H SER A 7 30.424 18.608 23.244 1.00 0.00 H new ATOM 0 HA SER A 7 28.337 16.632 23.813 1.00 0.00 H new ATOM 0 HB2 SER A 7 30.538 15.680 22.591 1.00 0.00 H new ATOM 0 HB3 SER A 7 31.219 15.816 24.200 1.00 0.00 H new ATOM 0 HG SER A 7 30.168 13.767 23.862 1.00 0.00 H new ATOM 102 N ILE A 8 29.373 18.720 25.592 1.00 0.00 N ATOM 103 CA ILE A 8 29.572 19.410 26.873 1.00 0.00 C ATOM 104 C ILE A 8 28.670 18.767 27.948 1.00 0.00 C ATOM 105 O ILE A 8 27.467 18.587 27.703 1.00 0.00 O ATOM 106 CB ILE A 8 29.321 20.936 26.723 1.00 0.00 C ATOM 107 CG1 ILE A 8 30.169 21.534 25.572 1.00 0.00 C ATOM 108 CG2 ILE A 8 29.643 21.679 28.033 1.00 0.00 C ATOM 109 CD1 ILE A 8 29.970 23.035 25.325 1.00 0.00 C ATOM 0 H ILE A 8 29.097 19.356 24.844 1.00 0.00 H new ATOM 0 HA ILE A 8 30.608 19.298 27.193 1.00 0.00 H new ATOM 0 HB ILE A 8 28.265 21.067 26.488 1.00 0.00 H new ATOM 0 HG12 ILE A 8 31.222 21.354 25.787 1.00 0.00 H new ATOM 0 HG13 ILE A 8 29.935 20.997 24.653 1.00 0.00 H new ATOM 0 HG21 ILE A 8 29.459 22.745 27.901 1.00 0.00 H new ATOM 0 HG22 ILE A 8 29.009 21.297 28.833 1.00 0.00 H new ATOM 0 HG23 ILE A 8 30.690 21.521 28.293 1.00 0.00 H new ATOM 0 HD11 ILE A 8 30.607 23.356 24.501 1.00 0.00 H new ATOM 0 HD12 ILE A 8 28.927 23.227 25.073 1.00 0.00 H new ATOM 0 HD13 ILE A 8 30.234 23.590 26.225 1.00 0.00 H new ATOM 121 N PRO A 9 29.208 18.409 29.132 1.00 0.00 N ATOM 122 CA PRO A 9 28.422 17.828 30.219 1.00 0.00 C ATOM 123 C PRO A 9 27.398 18.831 30.777 1.00 0.00 C ATOM 124 O PRO A 9 27.546 20.035 30.561 1.00 0.00 O ATOM 125 CB PRO A 9 29.448 17.413 31.280 1.00 0.00 C ATOM 126 CG PRO A 9 30.615 18.367 31.056 1.00 0.00 C ATOM 127 CD PRO A 9 30.600 18.567 29.542 1.00 0.00 C ATOM 0 HA PRO A 9 27.831 16.977 29.879 1.00 0.00 H new ATOM 0 HB2 PRO A 9 29.042 17.508 32.287 1.00 0.00 H new ATOM 0 HB3 PRO A 9 29.752 16.374 31.156 1.00 0.00 H new ATOM 0 HG2 PRO A 9 30.477 19.307 31.590 1.00 0.00 H new ATOM 0 HG3 PRO A 9 31.558 17.941 31.399 1.00 0.00 H new ATOM 0 HD2 PRO A 9 30.976 19.554 29.275 1.00 0.00 H new ATOM 0 HD3 PRO A 9 31.239 17.837 29.045 1.00 0.00 H new ATOM 135 N PRO A 10 26.372 18.377 31.521 1.00 0.00 N ATOM 136 CA PRO A 10 25.356 19.240 32.130 1.00 0.00 C ATOM 137 C PRO A 10 25.927 20.115 33.267 1.00 0.00 C ATOM 138 O PRO A 10 25.693 19.869 34.451 1.00 0.00 O ATOM 139 CB PRO A 10 24.226 18.294 32.558 1.00 0.00 C ATOM 140 CG PRO A 10 24.942 16.971 32.819 1.00 0.00 C ATOM 141 CD PRO A 10 26.069 16.975 31.787 1.00 0.00 C ATOM 0 HA PRO A 10 24.975 19.985 31.431 1.00 0.00 H new ATOM 0 HB2 PRO A 10 23.717 18.657 33.451 1.00 0.00 H new ATOM 0 HB3 PRO A 10 23.471 18.194 31.779 1.00 0.00 H new ATOM 0 HG2 PRO A 10 25.328 16.916 33.837 1.00 0.00 H new ATOM 0 HG3 PRO A 10 24.276 16.119 32.684 1.00 0.00 H new ATOM 0 HD2 PRO A 10 26.947 16.452 32.167 1.00 0.00 H new ATOM 0 HD3 PRO A 10 25.763 16.463 30.875 1.00 0.00 H new ATOM 149 N GLU A 11 26.698 21.142 32.903 1.00 0.00 N ATOM 150 CA GLU A 11 27.374 22.106 33.790 1.00 0.00 C ATOM 151 C GLU A 11 27.353 23.554 33.233 1.00 0.00 C ATOM 152 O GLU A 11 28.022 24.440 33.772 1.00 0.00 O ATOM 153 CB GLU A 11 28.827 21.654 34.047 1.00 0.00 C ATOM 154 CG GLU A 11 28.964 20.378 34.893 1.00 0.00 C ATOM 155 CD GLU A 11 30.391 20.130 35.420 1.00 0.00 C ATOM 156 OE1 GLU A 11 31.305 20.979 35.232 1.00 0.00 O ATOM 157 OE2 GLU A 11 30.612 19.078 36.059 1.00 0.00 O ATOM 0 H GLU A 11 26.882 21.340 31.919 1.00 0.00 H new ATOM 0 HA GLU A 11 26.819 22.122 34.728 1.00 0.00 H new ATOM 0 HB2 GLU A 11 29.317 21.491 33.087 1.00 0.00 H new ATOM 0 HB3 GLU A 11 29.362 22.463 34.545 1.00 0.00 H new ATOM 0 HG2 GLU A 11 28.280 20.440 35.739 1.00 0.00 H new ATOM 0 HG3 GLU A 11 28.654 19.522 34.294 1.00 0.00 H new ATOM 164 N PHE A 12 26.594 23.815 32.158 1.00 0.00 N ATOM 165 CA PHE A 12 26.523 25.116 31.465 1.00 0.00 C ATOM 166 C PHE A 12 25.253 25.924 31.781 1.00 0.00 C ATOM 167 O PHE A 12 25.298 27.158 31.816 1.00 0.00 O ATOM 168 CB PHE A 12 26.630 24.876 29.947 1.00 0.00 C ATOM 169 CG PHE A 12 25.649 23.853 29.388 1.00 0.00 C ATOM 170 CD1 PHE A 12 24.323 24.212 29.076 1.00 0.00 C ATOM 171 CD2 PHE A 12 26.063 22.521 29.206 1.00 0.00 C ATOM 172 CE1 PHE A 12 23.418 23.245 28.605 1.00 0.00 C ATOM 173 CE2 PHE A 12 25.162 21.553 28.734 1.00 0.00 C ATOM 174 CZ PHE A 12 23.836 21.913 28.437 1.00 0.00 C ATOM 0 H PHE A 12 25.994 23.108 31.732 1.00 0.00 H new ATOM 0 HA PHE A 12 27.355 25.718 31.830 1.00 0.00 H new ATOM 0 HB2 PHE A 12 26.476 25.824 29.432 1.00 0.00 H new ATOM 0 HB3 PHE A 12 27.644 24.549 29.716 1.00 0.00 H new ATOM 0 HD1 PHE A 12 24.000 25.235 29.199 1.00 0.00 H new ATOM 0 HD2 PHE A 12 27.081 22.241 29.431 1.00 0.00 H new ATOM 0 HE1 PHE A 12 22.401 23.525 28.372 1.00 0.00 H new ATOM 0 HE2 PHE A 12 25.488 20.532 28.599 1.00 0.00 H new ATOM 0 HZ PHE A 12 23.140 21.168 28.081 1.00 0.00 H new ATOM 184 N LEU A 13 24.128 25.244 32.018 1.00 0.00 N ATOM 185 CA LEU A 13 22.846 25.852 32.383 1.00 0.00 C ATOM 186 C LEU A 13 22.807 26.195 33.879 1.00 0.00 C ATOM 187 O LEU A 13 23.447 25.527 34.693 1.00 0.00 O ATOM 188 CB LEU A 13 21.700 24.913 31.942 1.00 0.00 C ATOM 189 CG LEU A 13 21.607 23.563 32.689 1.00 0.00 C ATOM 190 CD1 LEU A 13 20.678 23.653 33.904 1.00 0.00 C ATOM 191 CD2 LEU A 13 21.052 22.476 31.768 1.00 0.00 C ATOM 0 H LEU A 13 24.083 24.227 31.960 1.00 0.00 H new ATOM 0 HA LEU A 13 22.718 26.800 31.861 1.00 0.00 H new ATOM 0 HB2 LEU A 13 20.755 25.441 32.068 1.00 0.00 H new ATOM 0 HB3 LEU A 13 21.812 24.710 30.877 1.00 0.00 H new ATOM 0 HG LEU A 13 22.618 23.317 33.014 1.00 0.00 H new ATOM 0 HD11 LEU A 13 20.638 22.685 34.404 1.00 0.00 H new ATOM 0 HD12 LEU A 13 21.057 24.404 34.597 1.00 0.00 H new ATOM 0 HD13 LEU A 13 19.677 23.934 33.577 1.00 0.00 H new ATOM 0 HD21 LEU A 13 20.994 21.533 32.312 1.00 0.00 H new ATOM 0 HD22 LEU A 13 20.056 22.761 31.428 1.00 0.00 H new ATOM 0 HD23 LEU A 13 21.710 22.358 30.907 1.00 0.00 H new ATOM 203 N PHE A 14 22.011 27.194 34.252 1.00 0.00 N ATOM 204 CA PHE A 14 21.937 27.735 35.618 1.00 0.00 C ATOM 205 C PHE A 14 20.508 27.749 36.191 1.00 0.00 C ATOM 206 O PHE A 14 20.240 28.427 37.181 1.00 0.00 O ATOM 207 CB PHE A 14 22.621 29.112 35.646 1.00 0.00 C ATOM 208 CG PHE A 14 22.079 30.138 34.666 1.00 0.00 C ATOM 209 CD1 PHE A 14 20.938 30.903 34.983 1.00 0.00 C ATOM 210 CD2 PHE A 14 22.727 30.342 33.431 1.00 0.00 C ATOM 211 CE1 PHE A 14 20.436 31.842 34.064 1.00 0.00 C ATOM 212 CE2 PHE A 14 22.225 31.280 32.510 1.00 0.00 C ATOM 213 CZ PHE A 14 21.077 32.026 32.828 1.00 0.00 C ATOM 0 H PHE A 14 21.382 27.665 33.602 1.00 0.00 H new ATOM 0 HA PHE A 14 22.477 27.066 36.289 1.00 0.00 H new ATOM 0 HB2 PHE A 14 22.536 29.519 36.654 1.00 0.00 H new ATOM 0 HB3 PHE A 14 23.684 28.973 35.447 1.00 0.00 H new ATOM 0 HD1 PHE A 14 20.447 30.767 35.936 1.00 0.00 H new ATOM 0 HD2 PHE A 14 23.614 29.775 33.190 1.00 0.00 H new ATOM 0 HE1 PHE A 14 19.558 32.421 34.309 1.00 0.00 H new ATOM 0 HE2 PHE A 14 22.720 31.426 31.562 1.00 0.00 H new ATOM 0 HZ PHE A 14 20.687 32.742 32.120 1.00 0.00 H new ATOM 223 N GLY A 15 19.579 27.015 35.569 1.00 0.00 N ATOM 224 CA GLY A 15 18.185 26.872 36.018 1.00 0.00 C ATOM 225 C GLY A 15 17.134 27.269 34.976 1.00 0.00 C ATOM 226 O GLY A 15 15.935 27.144 35.239 1.00 0.00 O ATOM 0 H GLY A 15 19.778 26.490 34.718 1.00 0.00 H new ATOM 0 HA2 GLY A 15 18.016 25.835 36.309 1.00 0.00 H new ATOM 0 HA3 GLY A 15 18.041 27.481 36.910 1.00 0.00 H new ATOM 230 N LYS A 16 17.582 27.784 33.822 1.00 0.00 N ATOM 231 CA LYS A 16 16.777 28.334 32.714 1.00 0.00 C ATOM 232 C LYS A 16 17.104 27.615 31.389 1.00 0.00 C ATOM 233 O LYS A 16 18.203 27.053 31.264 1.00 0.00 O ATOM 234 CB LYS A 16 17.085 29.846 32.566 1.00 0.00 C ATOM 235 CG LYS A 16 16.268 30.797 33.458 1.00 0.00 C ATOM 236 CD LYS A 16 16.585 30.707 34.956 1.00 0.00 C ATOM 237 CE LYS A 16 15.688 31.644 35.768 1.00 0.00 C ATOM 238 NZ LYS A 16 15.682 31.247 37.195 1.00 0.00 N ATOM 0 H LYS A 16 18.581 27.832 33.622 1.00 0.00 H new ATOM 0 HA LYS A 16 15.721 28.183 32.939 1.00 0.00 H new ATOM 0 HB2 LYS A 16 18.143 30.002 32.778 1.00 0.00 H new ATOM 0 HB3 LYS A 16 16.923 30.128 31.526 1.00 0.00 H new ATOM 0 HG2 LYS A 16 16.440 31.821 33.126 1.00 0.00 H new ATOM 0 HG3 LYS A 16 15.208 30.588 33.312 1.00 0.00 H new ATOM 0 HD2 LYS A 16 16.449 29.681 35.298 1.00 0.00 H new ATOM 0 HD3 LYS A 16 17.631 30.963 35.125 1.00 0.00 H new ATOM 0 HE2 LYS A 16 16.042 32.670 35.671 1.00 0.00 H new ATOM 0 HE3 LYS A 16 14.673 31.618 35.373 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 15.069 31.893 37.732 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 15.323 30.275 37.283 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 16.650 31.294 37.573 1.00 0.00 H new ATOM 252 N PRO A 17 16.227 27.663 30.370 1.00 0.00 N ATOM 253 CA PRO A 17 16.544 27.153 29.034 1.00 0.00 C ATOM 254 C PRO A 17 17.640 27.971 28.324 1.00 0.00 C ATOM 255 O PRO A 17 17.908 29.135 28.662 1.00 0.00 O ATOM 256 CB PRO A 17 15.219 27.186 28.268 1.00 0.00 C ATOM 257 CG PRO A 17 14.426 28.298 28.949 1.00 0.00 C ATOM 258 CD PRO A 17 14.874 28.204 30.405 1.00 0.00 C ATOM 0 HA PRO A 17 16.958 26.146 29.089 1.00 0.00 H new ATOM 0 HB2 PRO A 17 15.375 27.397 27.210 1.00 0.00 H new ATOM 0 HB3 PRO A 17 14.699 26.230 28.329 1.00 0.00 H new ATOM 0 HG2 PRO A 17 14.652 29.274 28.520 1.00 0.00 H new ATOM 0 HG3 PRO A 17 13.351 28.146 28.848 1.00 0.00 H new ATOM 0 HD2 PRO A 17 14.857 29.183 30.883 1.00 0.00 H new ATOM 0 HD3 PRO A 17 14.209 27.558 30.978 1.00 0.00 H new ATOM 266 N PHE A 18 18.261 27.356 27.314 1.00 0.00 N ATOM 267 CA PHE A 18 19.207 28.005 26.397 1.00 0.00 C ATOM 268 C PHE A 18 18.535 29.128 25.581 1.00 0.00 C ATOM 269 O PHE A 18 17.337 29.062 25.286 1.00 0.00 O ATOM 270 CB PHE A 18 19.814 26.925 25.488 1.00 0.00 C ATOM 271 CG PHE A 18 20.950 27.387 24.591 1.00 0.00 C ATOM 272 CD1 PHE A 18 22.163 27.827 25.153 1.00 0.00 C ATOM 273 CD2 PHE A 18 20.817 27.333 23.189 1.00 0.00 C ATOM 274 CE1 PHE A 18 23.237 28.202 24.326 1.00 0.00 C ATOM 275 CE2 PHE A 18 21.893 27.702 22.361 1.00 0.00 C ATOM 276 CZ PHE A 18 23.106 28.130 22.929 1.00 0.00 C ATOM 0 H PHE A 18 18.117 26.368 27.105 1.00 0.00 H new ATOM 0 HA PHE A 18 19.999 28.487 26.971 1.00 0.00 H new ATOM 0 HB2 PHE A 18 20.177 26.110 26.114 1.00 0.00 H new ATOM 0 HB3 PHE A 18 19.022 26.516 24.860 1.00 0.00 H new ATOM 0 HD1 PHE A 18 22.270 27.877 26.227 1.00 0.00 H new ATOM 0 HD2 PHE A 18 19.886 27.007 22.749 1.00 0.00 H new ATOM 0 HE1 PHE A 18 24.162 28.545 24.765 1.00 0.00 H new ATOM 0 HE2 PHE A 18 21.787 27.656 21.287 1.00 0.00 H new ATOM 0 HZ PHE A 18 23.935 28.403 22.293 1.00 0.00 H new ATOM 286 N VAL A 19 19.296 30.164 25.217 1.00 0.00 N ATOM 287 CA VAL A 19 18.790 31.326 24.457 1.00 0.00 C ATOM 288 C VAL A 19 18.868 31.076 22.948 1.00 0.00 C ATOM 289 O VAL A 19 19.956 30.865 22.397 1.00 0.00 O ATOM 290 CB VAL A 19 19.544 32.614 24.839 1.00 0.00 C ATOM 291 CG1 VAL A 19 19.039 33.826 24.044 1.00 0.00 C ATOM 292 CG2 VAL A 19 19.346 32.944 26.325 1.00 0.00 C ATOM 0 H VAL A 19 20.289 30.227 25.440 1.00 0.00 H new ATOM 0 HA VAL A 19 17.741 31.461 24.722 1.00 0.00 H new ATOM 0 HB VAL A 19 20.594 32.427 24.615 1.00 0.00 H new ATOM 0 HG11 VAL A 19 19.596 34.714 24.342 1.00 0.00 H new ATOM 0 HG12 VAL A 19 19.184 33.648 22.978 1.00 0.00 H new ATOM 0 HG13 VAL A 19 17.979 33.977 24.246 1.00 0.00 H new ATOM 0 HG21 VAL A 19 19.888 33.857 26.570 1.00 0.00 H new ATOM 0 HG22 VAL A 19 18.285 33.086 26.528 1.00 0.00 H new ATOM 0 HG23 VAL A 19 19.725 32.123 26.934 1.00 0.00 H new ATOM 302 N PHE A 20 17.712 31.119 22.280 1.00 0.00 N ATOM 303 CA PHE A 20 17.558 30.948 20.827 1.00 0.00 C ATOM 304 C PHE A 20 17.847 32.232 20.050 1.00 0.00 C ATOM 305 O PHE A 20 18.648 32.180 19.093 1.00 0.00 O ATOM 306 CB PHE A 20 16.145 30.427 20.516 1.00 0.00 C ATOM 307 CG PHE A 20 15.961 28.943 20.764 1.00 0.00 C ATOM 308 CD1 PHE A 20 16.326 28.018 19.765 1.00 0.00 C ATOM 309 CD2 PHE A 20 15.417 28.479 21.977 1.00 0.00 C ATOM 310 CE1 PHE A 20 16.146 26.640 19.977 1.00 0.00 C ATOM 311 CE2 PHE A 20 15.237 27.100 22.188 1.00 0.00 C ATOM 312 CZ PHE A 20 15.601 26.180 21.189 1.00 0.00 C ATOM 313 OXT PHE A 20 17.254 33.295 20.328 1.00 0.00 O ATOM 0 H PHE A 20 16.822 31.280 22.752 1.00 0.00 H new ATOM 0 HA PHE A 20 18.298 30.217 20.499 1.00 0.00 H new ATOM 0 HB2 PHE A 20 15.426 30.977 21.122 1.00 0.00 H new ATOM 0 HB3 PHE A 20 15.912 30.641 19.473 1.00 0.00 H new ATOM 0 HD1 PHE A 20 16.745 28.369 18.834 1.00 0.00 H new ATOM 0 HD2 PHE A 20 15.137 29.183 22.747 1.00 0.00 H new ATOM 0 HE1 PHE A 20 16.426 25.934 19.209 1.00 0.00 H new ATOM 0 HE2 PHE A 20 14.818 26.747 23.119 1.00 0.00 H new ATOM 0 HZ PHE A 20 15.462 25.121 21.352 1.00 0.00 H new TER 323 PHE A 20