USER MOD reduce.3.24.130724 H: found=0, std=0, add=272, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 272 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 NoAdj-H: A 27 HIS HE2 : A 27 HIS NE2 : A 37 ZNZN :(H bumps) USER MOD Single : A 1 GLY N :NH3+ -110:sc= 0.0743 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 MET CE :methyl 149:sc= -0.774 (180deg=-2.28!) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 45:sc= 0.344 USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 23 THR OG1 : rot -160:sc= -0.146 USER MOD Single : A 28 GLN : amide:sc= -0.0226 X(o=-0.023,f=-0.3) USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 34 HIS : no HD1:sc= -0.524 K(o=-0.52,f=-1.3) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -10.424 12.107 1.245 1.00 1.00 N ATOM 2 CA GLY A 1 -9.441 12.312 0.146 1.00 1.00 C ATOM 3 C GLY A 1 -8.446 13.414 0.454 1.00 1.00 C ATOM 4 O GLY A 1 -8.593 14.132 1.443 1.00 1.00 O ATOM 0 H1 GLY A 1 -10.236 11.198 1.713 1.00 1.00 H new ATOM 0 H2 GLY A 1 -10.336 12.878 1.938 1.00 1.00 H new ATOM 0 H3 GLY A 1 -11.387 12.102 0.853 1.00 1.00 H new ATOM 0 HA2 GLY A 1 -8.903 11.381 -0.034 1.00 1.00 H new ATOM 0 HA3 GLY A 1 -9.974 12.555 -0.773 1.00 1.00 H new ATOM 10 N SER A 2 -7.433 13.548 -0.394 1.00 1.00 N ATOM 11 CA SER A 2 -6.409 14.571 -0.208 1.00 1.00 C ATOM 12 C SER A 2 -5.691 14.387 1.125 1.00 1.00 C ATOM 13 O SER A 2 -6.161 14.855 2.162 1.00 1.00 O ATOM 14 CB SER A 2 -7.036 15.966 -0.276 1.00 1.00 C ATOM 15 OG SER A 2 -6.096 16.925 -0.727 1.00 1.00 O ATOM 0 H SER A 2 -7.298 12.961 -1.217 1.00 1.00 H new ATOM 0 HA SER A 2 -5.678 14.469 -1.010 1.00 1.00 H new ATOM 0 HB2 SER A 2 -7.895 15.950 -0.947 1.00 1.00 H new ATOM 0 HB3 SER A 2 -7.406 16.250 0.709 1.00 1.00 H new ATOM 0 HG SER A 2 -6.521 17.807 -0.764 1.00 1.00 H new ATOM 21 N LEU A 3 -4.551 13.701 1.087 1.00 1.00 N ATOM 22 CA LEU A 3 -3.754 13.446 2.286 1.00 1.00 C ATOM 23 C LEU A 3 -4.621 12.926 3.433 1.00 1.00 C ATOM 24 O LEU A 3 -5.820 12.703 3.268 1.00 1.00 O ATOM 25 CB LEU A 3 -3.009 14.715 2.715 1.00 1.00 C ATOM 26 CG LEU A 3 -3.873 15.804 3.362 1.00 1.00 C ATOM 27 CD1 LEU A 3 -3.118 16.479 4.497 1.00 1.00 C ATOM 28 CD2 LEU A 3 -4.303 16.829 2.324 1.00 1.00 C ATOM 0 H LEU A 3 -4.156 13.309 0.232 1.00 1.00 H new ATOM 0 HA LEU A 3 -3.024 12.674 2.041 1.00 1.00 H new ATOM 0 HB2 LEU A 3 -2.224 14.434 3.417 1.00 1.00 H new ATOM 0 HB3 LEU A 3 -2.517 15.139 1.840 1.00 1.00 H new ATOM 0 HG LEU A 3 -4.767 15.335 3.774 1.00 1.00 H new ATOM 0 HD11 LEU A 3 -3.746 17.249 4.945 1.00 1.00 H new ATOM 0 HD12 LEU A 3 -2.858 15.738 5.253 1.00 1.00 H new ATOM 0 HD13 LEU A 3 -2.207 16.935 4.108 1.00 1.00 H new ATOM 0 HD21 LEU A 3 -4.915 17.594 2.801 1.00 1.00 H new ATOM 0 HD22 LEU A 3 -3.421 17.293 1.883 1.00 1.00 H new ATOM 0 HD23 LEU A 3 -4.882 16.335 1.543 1.00 1.00 H new ATOM 40 N LEU A 4 -4.000 12.734 4.594 1.00 1.00 N ATOM 41 CA LEU A 4 -4.707 12.238 5.772 1.00 1.00 C ATOM 42 C LEU A 4 -5.206 10.813 5.551 1.00 1.00 C ATOM 43 O LEU A 4 -4.649 9.859 6.096 1.00 1.00 O ATOM 44 CB LEU A 4 -5.881 13.160 6.117 1.00 1.00 C ATOM 45 CG LEU A 4 -5.905 13.660 7.562 1.00 1.00 C ATOM 46 CD1 LEU A 4 -6.188 12.512 8.518 1.00 1.00 C ATOM 47 CD2 LEU A 4 -4.589 14.337 7.913 1.00 1.00 C ATOM 0 H LEU A 4 -3.007 12.915 4.744 1.00 1.00 H new ATOM 0 HA LEU A 4 -4.006 12.229 6.607 1.00 1.00 H new ATOM 0 HB2 LEU A 4 -5.855 14.022 5.450 1.00 1.00 H new ATOM 0 HB3 LEU A 4 -6.812 12.629 5.916 1.00 1.00 H new ATOM 0 HG LEU A 4 -6.705 14.394 7.660 1.00 1.00 H new ATOM 0 HD11 LEU A 4 -6.201 12.886 9.542 1.00 1.00 H new ATOM 0 HD12 LEU A 4 -7.156 12.071 8.280 1.00 1.00 H new ATOM 0 HD13 LEU A 4 -5.410 11.755 8.418 1.00 1.00 H new ATOM 0 HD21 LEU A 4 -4.624 14.687 8.945 1.00 1.00 H new ATOM 0 HD22 LEU A 4 -3.772 13.625 7.798 1.00 1.00 H new ATOM 0 HD23 LEU A 4 -4.427 15.185 7.248 1.00 1.00 H new ATOM 59 N LYS A 5 -6.256 10.673 4.748 1.00 1.00 N ATOM 60 CA LYS A 5 -6.827 9.362 4.457 1.00 1.00 C ATOM 61 C LYS A 5 -6.344 8.848 3.102 1.00 1.00 C ATOM 62 O LYS A 5 -6.178 9.622 2.160 1.00 1.00 O ATOM 63 CB LYS A 5 -8.357 9.433 4.475 1.00 1.00 C ATOM 64 CG LYS A 5 -8.969 9.039 5.809 1.00 1.00 C ATOM 65 CD LYS A 5 -10.483 8.923 5.713 1.00 1.00 C ATOM 66 CE LYS A 5 -11.075 8.320 6.977 1.00 1.00 C ATOM 67 NZ LYS A 5 -12.224 7.423 6.679 1.00 1.00 N ATOM 0 H LYS A 5 -6.729 11.451 4.287 1.00 1.00 H new ATOM 0 HA LYS A 5 -6.494 8.668 5.229 1.00 1.00 H new ATOM 0 HB2 LYS A 5 -8.668 10.448 4.228 1.00 1.00 H new ATOM 0 HB3 LYS A 5 -8.752 8.780 3.697 1.00 1.00 H new ATOM 0 HG2 LYS A 5 -8.550 8.088 6.136 1.00 1.00 H new ATOM 0 HG3 LYS A 5 -8.707 9.780 6.564 1.00 1.00 H new ATOM 0 HD2 LYS A 5 -10.915 9.909 5.542 1.00 1.00 H new ATOM 0 HD3 LYS A 5 -10.748 8.306 4.855 1.00 1.00 H new ATOM 0 HE2 LYS A 5 -10.305 7.759 7.507 1.00 1.00 H new ATOM 0 HE3 LYS A 5 -11.402 9.119 7.642 1.00 1.00 H new ATOM 0 HZ1 LYS A 5 -12.599 7.032 7.567 1.00 1.00 H new ATOM 0 HZ2 LYS A 5 -12.970 7.963 6.196 1.00 1.00 H new ATOM 0 HZ3 LYS A 5 -11.907 6.645 6.065 1.00 1.00 H new ATOM 81 N PRO A 6 -6.111 7.528 2.985 1.00 1.00 N ATOM 82 CA PRO A 6 -5.644 6.918 1.737 1.00 1.00 C ATOM 83 C PRO A 6 -6.741 6.854 0.679 1.00 1.00 C ATOM 84 O PRO A 6 -7.889 7.215 0.939 1.00 1.00 O ATOM 85 CB PRO A 6 -5.229 5.511 2.167 1.00 1.00 C ATOM 86 CG PRO A 6 -6.080 5.215 3.353 1.00 1.00 C ATOM 87 CD PRO A 6 -6.281 6.529 4.059 1.00 1.00 C ATOM 0 HA PRO A 6 -4.840 7.491 1.276 1.00 1.00 H new ATOM 0 HB2 PRO A 6 -5.395 4.787 1.369 1.00 1.00 H new ATOM 0 HB3 PRO A 6 -4.169 5.470 2.419 1.00 1.00 H new ATOM 0 HG2 PRO A 6 -7.035 4.785 3.050 1.00 1.00 H new ATOM 0 HG3 PRO A 6 -5.597 4.490 4.008 1.00 1.00 H new ATOM 0 HD2 PRO A 6 -7.270 6.593 4.514 1.00 1.00 H new ATOM 0 HD3 PRO A 6 -5.553 6.671 4.858 1.00 1.00 H new ATOM 95 N ALA A 7 -6.381 6.391 -0.513 1.00 1.00 N ATOM 96 CA ALA A 7 -7.335 6.280 -1.610 1.00 1.00 C ATOM 97 C ALA A 7 -6.769 5.438 -2.749 1.00 1.00 C ATOM 98 O ALA A 7 -7.462 4.589 -3.309 1.00 1.00 O ATOM 99 CB ALA A 7 -7.722 7.662 -2.115 1.00 1.00 C ATOM 0 H ALA A 7 -5.435 6.087 -0.744 1.00 1.00 H new ATOM 0 HA ALA A 7 -8.227 5.780 -1.233 1.00 1.00 H new ATOM 0 HB1 ALA A 7 -8.435 7.564 -2.934 1.00 1.00 H new ATOM 0 HB2 ALA A 7 -8.177 8.231 -1.304 1.00 1.00 H new ATOM 0 HB3 ALA A 7 -6.832 8.182 -2.469 1.00 1.00 H new ATOM 105 N ARG A 8 -5.508 5.681 -3.088 1.00 1.00 N ATOM 106 CA ARG A 8 -4.849 4.945 -4.161 1.00 1.00 C ATOM 107 C ARG A 8 -4.477 3.536 -3.709 1.00 1.00 C ATOM 108 O ARG A 8 -3.804 3.357 -2.693 1.00 1.00 O ATOM 109 CB ARG A 8 -3.599 5.692 -4.627 1.00 1.00 C ATOM 110 CG ARG A 8 -3.862 6.671 -5.760 1.00 1.00 C ATOM 111 CD ARG A 8 -2.599 6.954 -6.557 1.00 1.00 C ATOM 112 NE ARG A 8 -2.262 5.854 -7.458 1.00 1.00 N ATOM 113 CZ ARG A 8 -2.854 5.651 -8.632 1.00 1.00 C ATOM 114 NH1 ARG A 8 -3.812 6.469 -9.052 1.00 1.00 N ATOM 115 NH2 ARG A 8 -2.486 4.627 -9.390 1.00 1.00 N ATOM 0 H ARG A 8 -4.921 6.382 -2.635 1.00 1.00 H new ATOM 0 HA ARG A 8 -5.547 4.865 -4.994 1.00 1.00 H new ATOM 0 HB2 ARG A 8 -3.173 6.233 -3.782 1.00 1.00 H new ATOM 0 HB3 ARG A 8 -2.852 4.967 -4.950 1.00 1.00 H new ATOM 0 HG2 ARG A 8 -4.628 6.266 -6.422 1.00 1.00 H new ATOM 0 HG3 ARG A 8 -4.253 7.603 -5.353 1.00 1.00 H new ATOM 0 HD2 ARG A 8 -2.733 7.868 -7.135 1.00 1.00 H new ATOM 0 HD3 ARG A 8 -1.769 7.128 -5.872 1.00 1.00 H new ATOM 0 HE ARG A 8 -1.530 5.204 -7.170 1.00 1.00 H new ATOM 0 HH11 ARG A 8 -4.098 7.259 -8.473 1.00 1.00 H new ATOM 0 HH12 ARG A 8 -4.262 6.308 -9.953 1.00 1.00 H new ATOM 0 HH21 ARG A 8 -1.750 3.996 -9.073 1.00 1.00 H new ATOM 0 HH22 ARG A 8 -2.939 4.470 -10.290 1.00 1.00 H new ATOM 129 N PHE A 9 -4.918 2.541 -4.471 1.00 1.00 N ATOM 130 CA PHE A 9 -4.631 1.146 -4.152 1.00 1.00 C ATOM 131 C PHE A 9 -3.677 0.540 -5.177 1.00 1.00 C ATOM 132 O PHE A 9 -4.057 -0.333 -5.957 1.00 1.00 O ATOM 133 CB PHE A 9 -5.926 0.327 -4.092 1.00 1.00 C ATOM 134 CG PHE A 9 -7.014 0.838 -4.995 1.00 1.00 C ATOM 135 CD1 PHE A 9 -6.914 0.703 -6.370 1.00 1.00 C ATOM 136 CD2 PHE A 9 -8.138 1.454 -4.466 1.00 1.00 C ATOM 137 CE1 PHE A 9 -7.913 1.173 -7.202 1.00 1.00 C ATOM 138 CE2 PHE A 9 -9.140 1.927 -5.292 1.00 1.00 C ATOM 139 CZ PHE A 9 -9.027 1.785 -6.661 1.00 1.00 C ATOM 0 H PHE A 9 -5.476 2.674 -5.314 1.00 1.00 H new ATOM 0 HA PHE A 9 -4.153 1.118 -3.173 1.00 1.00 H new ATOM 0 HB2 PHE A 9 -5.703 -0.706 -4.357 1.00 1.00 H new ATOM 0 HB3 PHE A 9 -6.293 0.321 -3.066 1.00 1.00 H new ATOM 0 HD1 PHE A 9 -6.045 0.225 -6.797 1.00 1.00 H new ATOM 0 HD2 PHE A 9 -8.232 1.565 -3.396 1.00 1.00 H new ATOM 0 HE1 PHE A 9 -7.823 1.062 -8.272 1.00 1.00 H new ATOM 0 HE2 PHE A 9 -10.010 2.407 -4.868 1.00 1.00 H new ATOM 0 HZ PHE A 9 -9.809 2.152 -7.309 1.00 1.00 H new ATOM 149 N MET A 10 -2.434 1.011 -5.168 1.00 1.00 N ATOM 150 CA MET A 10 -1.423 0.520 -6.094 1.00 1.00 C ATOM 151 C MET A 10 -0.030 0.945 -5.641 1.00 1.00 C ATOM 152 O MET A 10 0.235 2.129 -5.443 1.00 1.00 O ATOM 153 CB MET A 10 -1.696 1.044 -7.507 1.00 1.00 C ATOM 154 CG MET A 10 -0.677 0.580 -8.537 1.00 1.00 C ATOM 155 SD MET A 10 -0.664 1.617 -10.012 1.00 1.00 S ATOM 156 CE MET A 10 -2.161 1.067 -10.827 1.00 1.00 C ATOM 0 H MET A 10 -2.104 1.733 -4.528 1.00 1.00 H new ATOM 0 HA MET A 10 -1.469 -0.569 -6.106 1.00 1.00 H new ATOM 0 HB2 MET A 10 -2.689 0.721 -7.820 1.00 1.00 H new ATOM 0 HB3 MET A 10 -1.708 2.134 -7.485 1.00 1.00 H new ATOM 0 HG2 MET A 10 0.316 0.581 -8.087 1.00 1.00 H new ATOM 0 HG3 MET A 10 -0.896 -0.449 -8.822 1.00 1.00 H new ATOM 0 HE1 MET A 10 -2.593 1.894 -11.391 1.00 1.00 H new ATOM 0 HE2 MET A 10 -1.925 0.248 -11.507 1.00 1.00 H new ATOM 0 HE3 MET A 10 -2.877 0.724 -10.080 1.00 1.00 H new ATOM 166 N CYS A 11 0.857 -0.030 -5.481 1.00 1.00 N ATOM 167 CA CYS A 11 2.225 0.248 -5.053 1.00 1.00 C ATOM 168 C CYS A 11 3.097 0.618 -6.247 1.00 1.00 C ATOM 169 O CYS A 11 3.762 -0.237 -6.832 1.00 1.00 O ATOM 170 CB CYS A 11 2.819 -0.961 -4.324 1.00 1.00 C ATOM 171 SG CYS A 11 4.135 -0.536 -3.137 1.00 1.00 S ATOM 0 H CYS A 11 0.656 -1.017 -5.640 1.00 1.00 H new ATOM 0 HA CYS A 11 2.199 1.093 -4.365 1.00 1.00 H new ATOM 0 HB2 CYS A 11 2.021 -1.482 -3.795 1.00 1.00 H new ATOM 0 HB3 CYS A 11 3.219 -1.657 -5.061 1.00 1.00 H new ATOM 176 N LEU A 12 3.087 1.899 -6.605 1.00 1.00 N ATOM 177 CA LEU A 12 3.875 2.392 -7.736 1.00 1.00 C ATOM 178 C LEU A 12 5.339 1.959 -7.627 1.00 1.00 C ATOM 179 O LEU A 12 5.923 1.482 -8.600 1.00 1.00 O ATOM 180 CB LEU A 12 3.790 3.920 -7.833 1.00 1.00 C ATOM 181 CG LEU A 12 2.440 4.528 -7.439 1.00 1.00 C ATOM 182 CD1 LEU A 12 2.491 5.068 -6.018 1.00 1.00 C ATOM 183 CD2 LEU A 12 2.043 5.627 -8.414 1.00 1.00 C ATOM 0 H LEU A 12 2.542 2.617 -6.129 1.00 1.00 H new ATOM 0 HA LEU A 12 3.454 1.955 -8.641 1.00 1.00 H new ATOM 0 HB2 LEU A 12 4.563 4.351 -7.197 1.00 1.00 H new ATOM 0 HB3 LEU A 12 4.018 4.216 -8.857 1.00 1.00 H new ATOM 0 HG LEU A 12 1.685 3.743 -7.481 1.00 1.00 H new ATOM 0 HD11 LEU A 12 1.523 5.496 -5.756 1.00 1.00 H new ATOM 0 HD12 LEU A 12 2.728 4.257 -5.329 1.00 1.00 H new ATOM 0 HD13 LEU A 12 3.259 5.839 -5.949 1.00 1.00 H new ATOM 0 HD21 LEU A 12 1.082 6.047 -8.118 1.00 1.00 H new ATOM 0 HD22 LEU A 12 2.800 6.412 -8.405 1.00 1.00 H new ATOM 0 HD23 LEU A 12 1.963 5.211 -9.418 1.00 1.00 H new ATOM 195 N PRO A 13 5.956 2.118 -6.440 1.00 1.00 N ATOM 196 CA PRO A 13 7.358 1.737 -6.223 1.00 1.00 C ATOM 197 C PRO A 13 7.621 0.263 -6.526 1.00 1.00 C ATOM 198 O PRO A 13 8.771 -0.152 -6.668 1.00 1.00 O ATOM 199 CB PRO A 13 7.586 2.022 -4.734 1.00 1.00 C ATOM 200 CG PRO A 13 6.531 3.006 -4.363 1.00 1.00 C ATOM 201 CD PRO A 13 5.344 2.676 -5.220 1.00 1.00 C ATOM 0 HA PRO A 13 8.028 2.287 -6.884 1.00 1.00 H new ATOM 0 HB2 PRO A 13 7.502 1.111 -4.141 1.00 1.00 H new ATOM 0 HB3 PRO A 13 8.583 2.427 -4.558 1.00 1.00 H new ATOM 0 HG2 PRO A 13 6.282 2.932 -3.304 1.00 1.00 H new ATOM 0 HG3 PRO A 13 6.869 4.027 -4.540 1.00 1.00 H new ATOM 0 HD2 PRO A 13 4.684 1.957 -4.735 1.00 1.00 H new ATOM 0 HD3 PRO A 13 4.746 3.561 -5.438 1.00 1.00 H new ATOM 209 N CYS A 14 6.552 -0.524 -6.624 1.00 1.00 N ATOM 210 CA CYS A 14 6.668 -1.942 -6.909 1.00 1.00 C ATOM 211 C CYS A 14 6.037 -2.267 -8.256 1.00 1.00 C ATOM 212 O CYS A 14 6.428 -3.224 -8.924 1.00 1.00 O ATOM 213 CB CYS A 14 5.981 -2.747 -5.809 1.00 1.00 C ATOM 214 SG CYS A 14 6.931 -2.854 -4.259 1.00 1.00 S ATOM 0 H CYS A 14 5.593 -0.196 -6.509 1.00 1.00 H new ATOM 0 HA CYS A 14 7.725 -2.207 -6.945 1.00 1.00 H new ATOM 0 HB2 CYS A 14 5.011 -2.298 -5.597 1.00 1.00 H new ATOM 0 HB3 CYS A 14 5.792 -3.756 -6.176 1.00 1.00 H new ATOM 219 N GLY A 15 5.055 -1.461 -8.649 1.00 1.00 N ATOM 220 CA GLY A 15 4.385 -1.670 -9.906 1.00 1.00 C ATOM 221 C GLY A 15 3.374 -2.797 -9.845 1.00 1.00 C ATOM 222 O GLY A 15 3.174 -3.517 -10.823 1.00 1.00 O ATOM 0 H GLY A 15 4.715 -0.664 -8.111 1.00 1.00 H new ATOM 0 HA2 GLY A 15 3.881 -0.750 -10.203 1.00 1.00 H new ATOM 0 HA3 GLY A 15 5.124 -1.891 -10.676 1.00 1.00 H new ATOM 226 N ILE A 16 2.733 -2.948 -8.689 1.00 1.00 N ATOM 227 CA ILE A 16 1.735 -3.993 -8.498 1.00 1.00 C ATOM 228 C ILE A 16 0.452 -3.423 -7.902 1.00 1.00 C ATOM 229 O ILE A 16 0.399 -3.093 -6.718 1.00 1.00 O ATOM 230 CB ILE A 16 2.254 -5.112 -7.572 1.00 1.00 C ATOM 231 CG1 ILE A 16 3.691 -5.490 -7.934 1.00 1.00 C ATOM 232 CG2 ILE A 16 1.346 -6.329 -7.657 1.00 1.00 C ATOM 233 CD1 ILE A 16 4.361 -6.369 -6.900 1.00 1.00 C ATOM 0 H ILE A 16 2.888 -2.359 -7.871 1.00 1.00 H new ATOM 0 HA ILE A 16 1.529 -4.411 -9.483 1.00 1.00 H new ATOM 0 HB ILE A 16 2.247 -4.742 -6.547 1.00 1.00 H new ATOM 0 HG12 ILE A 16 3.692 -6.006 -8.894 1.00 1.00 H new ATOM 0 HG13 ILE A 16 4.277 -4.580 -8.061 1.00 1.00 H new ATOM 0 HG21 ILE A 16 1.724 -7.111 -6.999 1.00 1.00 H new ATOM 0 HG22 ILE A 16 0.337 -6.052 -7.350 1.00 1.00 H new ATOM 0 HG23 ILE A 16 1.325 -6.697 -8.683 1.00 1.00 H new ATOM 0 HD11 ILE A 16 5.377 -6.598 -7.221 1.00 1.00 H new ATOM 0 HD12 ILE A 16 4.392 -5.847 -5.944 1.00 1.00 H new ATOM 0 HD13 ILE A 16 3.797 -7.295 -6.790 1.00 1.00 H new ATOM 245 N ALA A 17 -0.583 -3.317 -8.728 1.00 1.00 N ATOM 246 CA ALA A 17 -1.866 -2.794 -8.277 1.00 1.00 C ATOM 247 C ALA A 17 -2.705 -3.900 -7.647 1.00 1.00 C ATOM 248 O ALA A 17 -3.014 -4.900 -8.294 1.00 1.00 O ATOM 249 CB ALA A 17 -2.614 -2.151 -9.436 1.00 1.00 C ATOM 0 H ALA A 17 -0.558 -3.586 -9.712 1.00 1.00 H new ATOM 0 HA ALA A 17 -1.680 -2.032 -7.520 1.00 1.00 H new ATOM 0 HB1 ALA A 17 -3.570 -1.765 -9.083 1.00 1.00 H new ATOM 0 HB2 ALA A 17 -2.020 -1.332 -9.843 1.00 1.00 H new ATOM 0 HB3 ALA A 17 -2.788 -2.894 -10.214 1.00 1.00 H new ATOM 255 N PHE A 18 -3.059 -3.721 -6.379 1.00 1.00 N ATOM 256 CA PHE A 18 -3.844 -4.705 -5.660 1.00 1.00 C ATOM 257 C PHE A 18 -5.338 -4.516 -5.907 1.00 1.00 C ATOM 258 O PHE A 18 -5.743 -3.685 -6.721 1.00 1.00 O ATOM 259 CB PHE A 18 -3.533 -4.603 -4.173 1.00 1.00 C ATOM 260 CG PHE A 18 -2.357 -5.437 -3.752 1.00 1.00 C ATOM 261 CD1 PHE A 18 -2.491 -6.803 -3.555 1.00 1.00 C ATOM 262 CD2 PHE A 18 -1.113 -4.857 -3.564 1.00 1.00 C ATOM 263 CE1 PHE A 18 -1.407 -7.572 -3.176 1.00 1.00 C ATOM 264 CE2 PHE A 18 -0.026 -5.620 -3.184 1.00 1.00 C ATOM 265 CZ PHE A 18 -0.173 -6.979 -2.991 1.00 1.00 C ATOM 0 H PHE A 18 -2.811 -2.898 -5.830 1.00 1.00 H new ATOM 0 HA PHE A 18 -3.578 -5.697 -6.024 1.00 1.00 H new ATOM 0 HB2 PHE A 18 -3.339 -3.561 -3.920 1.00 1.00 H new ATOM 0 HB3 PHE A 18 -4.410 -4.911 -3.604 1.00 1.00 H new ATOM 0 HD1 PHE A 18 -3.453 -7.271 -3.699 1.00 1.00 H new ATOM 0 HD2 PHE A 18 -0.992 -3.795 -3.716 1.00 1.00 H new ATOM 0 HE1 PHE A 18 -1.524 -8.635 -3.025 1.00 1.00 H new ATOM 0 HE2 PHE A 18 0.937 -5.154 -3.038 1.00 1.00 H new ATOM 0 HZ PHE A 18 0.676 -7.578 -2.696 1.00 1.00 H new ATOM 275 N SER A 19 -6.152 -5.302 -5.211 1.00 1.00 N ATOM 276 CA SER A 19 -7.602 -5.236 -5.363 1.00 1.00 C ATOM 277 C SER A 19 -8.219 -4.153 -4.480 1.00 1.00 C ATOM 278 O SER A 19 -9.266 -3.597 -4.814 1.00 1.00 O ATOM 279 CB SER A 19 -8.228 -6.591 -5.030 1.00 1.00 C ATOM 280 OG SER A 19 -9.354 -6.849 -5.852 1.00 1.00 O ATOM 0 H SER A 19 -5.832 -5.994 -4.534 1.00 1.00 H new ATOM 0 HA SER A 19 -7.810 -4.979 -6.402 1.00 1.00 H new ATOM 0 HB2 SER A 19 -7.488 -7.380 -5.164 1.00 1.00 H new ATOM 0 HB3 SER A 19 -8.527 -6.609 -3.982 1.00 1.00 H new ATOM 0 HG SER A 19 -9.735 -7.722 -5.621 1.00 1.00 H new ATOM 286 N SER A 20 -7.580 -3.858 -3.352 1.00 1.00 N ATOM 287 CA SER A 20 -8.092 -2.845 -2.437 1.00 1.00 C ATOM 288 C SER A 20 -7.014 -2.369 -1.464 1.00 1.00 C ATOM 289 O SER A 20 -5.955 -2.985 -1.345 1.00 1.00 O ATOM 290 CB SER A 20 -9.290 -3.399 -1.661 1.00 1.00 C ATOM 291 OG SER A 20 -10.512 -2.969 -2.235 1.00 1.00 O ATOM 0 H SER A 20 -6.713 -4.303 -3.051 1.00 1.00 H new ATOM 0 HA SER A 20 -8.408 -1.987 -3.031 1.00 1.00 H new ATOM 0 HB2 SER A 20 -9.251 -4.488 -1.655 1.00 1.00 H new ATOM 0 HB3 SER A 20 -9.237 -3.072 -0.623 1.00 1.00 H new ATOM 0 HG SER A 20 -10.466 -3.060 -3.210 1.00 1.00 H new ATOM 297 N PRO A 21 -7.274 -1.255 -0.750 1.00 1.00 N ATOM 298 CA PRO A 21 -6.326 -0.690 0.217 1.00 1.00 C ATOM 299 C PRO A 21 -5.877 -1.713 1.257 1.00 1.00 C ATOM 300 O PRO A 21 -4.681 -1.878 1.501 1.00 1.00 O ATOM 301 CB PRO A 21 -7.111 0.449 0.888 1.00 1.00 C ATOM 302 CG PRO A 21 -8.536 0.231 0.503 1.00 1.00 C ATOM 303 CD PRO A 21 -8.506 -0.457 -0.829 1.00 1.00 C ATOM 0 HA PRO A 21 -5.410 -0.356 -0.270 1.00 1.00 H new ATOM 0 HB2 PRO A 21 -6.989 0.425 1.971 1.00 1.00 H new ATOM 0 HB3 PRO A 21 -6.757 1.423 0.549 1.00 1.00 H new ATOM 0 HG2 PRO A 21 -9.051 -0.379 1.245 1.00 1.00 H new ATOM 0 HG3 PRO A 21 -9.072 1.178 0.441 1.00 1.00 H new ATOM 0 HD2 PRO A 21 -9.385 -1.083 -0.982 1.00 1.00 H new ATOM 0 HD3 PRO A 21 -8.475 0.256 -1.653 1.00 1.00 H new ATOM 311 N SER A 22 -6.840 -2.398 1.867 1.00 1.00 N ATOM 312 CA SER A 22 -6.536 -3.405 2.880 1.00 1.00 C ATOM 313 C SER A 22 -5.515 -4.407 2.354 1.00 1.00 C ATOM 314 O SER A 22 -4.701 -4.935 3.111 1.00 1.00 O ATOM 315 CB SER A 22 -7.812 -4.132 3.309 1.00 1.00 C ATOM 316 OG SER A 22 -7.762 -4.487 4.680 1.00 1.00 O ATOM 0 H SER A 22 -7.835 -2.275 1.679 1.00 1.00 H new ATOM 0 HA SER A 22 -6.111 -2.899 3.747 1.00 1.00 H new ATOM 0 HB2 SER A 22 -8.676 -3.493 3.127 1.00 1.00 H new ATOM 0 HB3 SER A 22 -7.945 -5.028 2.703 1.00 1.00 H new ATOM 0 HG SER A 22 -8.590 -4.949 4.929 1.00 1.00 H new ATOM 322 N THR A 23 -5.559 -4.658 1.049 1.00 1.00 N ATOM 323 CA THR A 23 -4.629 -5.589 0.426 1.00 1.00 C ATOM 324 C THR A 23 -3.212 -5.044 0.500 1.00 1.00 C ATOM 325 O THR A 23 -2.262 -5.784 0.759 1.00 1.00 O ATOM 326 CB THR A 23 -5.021 -5.849 -1.029 1.00 1.00 C ATOM 327 OG1 THR A 23 -6.397 -5.581 -1.232 1.00 1.00 O ATOM 328 CG2 THR A 23 -4.758 -7.270 -1.476 1.00 1.00 C ATOM 0 H THR A 23 -6.226 -4.231 0.406 1.00 1.00 H new ATOM 0 HA THR A 23 -4.671 -6.534 0.968 1.00 1.00 H new ATOM 0 HB THR A 23 -4.397 -5.180 -1.621 1.00 1.00 H new ATOM 0 HG1 THR A 23 -6.703 -6.037 -2.044 1.00 1.00 H new ATOM 0 HG21 THR A 23 -5.059 -7.385 -2.517 1.00 1.00 H new ATOM 0 HG22 THR A 23 -3.695 -7.491 -1.379 1.00 1.00 H new ATOM 0 HG23 THR A 23 -5.330 -7.959 -0.855 1.00 1.00 H new ATOM 336 N LEU A 24 -3.079 -3.739 0.294 1.00 1.00 N ATOM 337 CA LEU A 24 -1.785 -3.084 0.359 1.00 1.00 C ATOM 338 C LEU A 24 -1.170 -3.303 1.727 1.00 1.00 C ATOM 339 O LEU A 24 0.013 -3.612 1.852 1.00 1.00 O ATOM 340 CB LEU A 24 -1.923 -1.585 0.097 1.00 1.00 C ATOM 341 CG LEU A 24 -2.988 -1.186 -0.924 1.00 1.00 C ATOM 342 CD1 LEU A 24 -2.998 0.321 -1.121 1.00 1.00 C ATOM 343 CD2 LEU A 24 -2.748 -1.897 -2.246 1.00 1.00 C ATOM 0 H LEU A 24 -3.857 -3.115 0.080 1.00 1.00 H new ATOM 0 HA LEU A 24 -1.141 -3.515 -0.408 1.00 1.00 H new ATOM 0 HB2 LEU A 24 -2.147 -1.089 1.041 1.00 1.00 H new ATOM 0 HB3 LEU A 24 -0.960 -1.204 -0.242 1.00 1.00 H new ATOM 0 HG LEU A 24 -3.964 -1.488 -0.543 1.00 1.00 H new ATOM 0 HD11 LEU A 24 -3.762 0.587 -1.851 1.00 1.00 H new ATOM 0 HD12 LEU A 24 -3.217 0.811 -0.172 1.00 1.00 H new ATOM 0 HD13 LEU A 24 -2.022 0.647 -1.481 1.00 1.00 H new ATOM 0 HD21 LEU A 24 -3.515 -1.602 -2.962 1.00 1.00 H new ATOM 0 HD22 LEU A 24 -1.766 -1.624 -2.633 1.00 1.00 H new ATOM 0 HD23 LEU A 24 -2.791 -2.975 -2.092 1.00 1.00 H new ATOM 355 N GLU A 25 -1.994 -3.139 2.752 1.00 1.00 N ATOM 356 CA GLU A 25 -1.550 -3.317 4.128 1.00 1.00 C ATOM 357 C GLU A 25 -0.866 -4.666 4.304 1.00 1.00 C ATOM 358 O GLU A 25 0.085 -4.799 5.075 1.00 1.00 O ATOM 359 CB GLU A 25 -2.735 -3.186 5.089 1.00 1.00 C ATOM 360 CG GLU A 25 -2.374 -2.540 6.416 1.00 1.00 C ATOM 361 CD GLU A 25 -3.594 -2.193 7.247 1.00 1.00 C ATOM 362 OE1 GLU A 25 -4.089 -3.080 7.973 1.00 1.00 O ATOM 363 OE2 GLU A 25 -4.056 -1.035 7.171 1.00 1.00 O ATOM 0 H GLU A 25 -2.977 -2.882 2.657 1.00 1.00 H new ATOM 0 HA GLU A 25 -0.825 -2.536 4.360 1.00 1.00 H new ATOM 0 HB2 GLU A 25 -3.518 -2.598 4.609 1.00 1.00 H new ATOM 0 HB3 GLU A 25 -3.150 -4.176 5.278 1.00 1.00 H new ATOM 0 HG2 GLU A 25 -1.733 -3.216 6.983 1.00 1.00 H new ATOM 0 HG3 GLU A 25 -1.796 -1.635 6.230 1.00 1.00 H new ATOM 370 N ALA A 26 -1.348 -5.657 3.569 1.00 1.00 N ATOM 371 CA ALA A 26 -0.782 -6.985 3.621 1.00 1.00 C ATOM 372 C ALA A 26 0.539 -7.022 2.872 1.00 1.00 C ATOM 373 O ALA A 26 1.465 -7.742 3.247 1.00 1.00 O ATOM 374 CB ALA A 26 -1.756 -8.006 3.049 1.00 1.00 C ATOM 0 H ALA A 26 -2.135 -5.559 2.927 1.00 1.00 H new ATOM 0 HA ALA A 26 -0.596 -7.244 4.663 1.00 1.00 H new ATOM 0 HB1 ALA A 26 -1.311 -9.000 3.097 1.00 1.00 H new ATOM 0 HB2 ALA A 26 -2.679 -7.993 3.629 1.00 1.00 H new ATOM 0 HB3 ALA A 26 -1.976 -7.757 2.011 1.00 1.00 H new ATOM 380 N HIS A 27 0.622 -6.219 1.819 1.00 1.00 N ATOM 381 CA HIS A 27 1.831 -6.127 1.017 1.00 1.00 C ATOM 382 C HIS A 27 2.878 -5.332 1.778 1.00 1.00 C ATOM 383 O HIS A 27 3.997 -5.793 2.000 1.00 1.00 O ATOM 384 CB HIS A 27 1.512 -5.456 -0.322 1.00 1.00 C ATOM 385 CG HIS A 27 2.716 -5.050 -1.112 1.00 1.00 C ATOM 386 ND1 HIS A 27 3.473 -5.920 -1.866 1.00 1.00 N ATOM 387 CD2 HIS A 27 3.287 -3.828 -1.265 1.00 1.00 C ATOM 388 CE1 HIS A 27 4.457 -5.215 -2.442 1.00 1.00 C ATOM 389 NE2 HIS A 27 4.387 -3.940 -2.108 1.00 1.00 N ATOM 0 H HIS A 27 -0.139 -5.620 1.501 1.00 1.00 H new ATOM 0 HA HIS A 27 2.221 -7.125 0.819 1.00 1.00 H new ATOM 0 HB2 HIS A 27 0.912 -6.139 -0.923 1.00 1.00 H new ATOM 0 HB3 HIS A 27 0.900 -4.573 -0.136 1.00 1.00 H new ATOM 0 HD1 HIS A 27 3.313 -6.922 -1.968 1.00 1.00 H new ATOM 0 HD2 HIS A 27 2.942 -2.914 -0.805 1.00 1.00 H new ATOM 0 HE1 HIS A 27 5.209 -5.635 -3.094 1.00 1.00 H new ATOM 397 N GLN A 28 2.488 -4.140 2.201 1.00 1.00 N ATOM 398 CA GLN A 28 3.366 -3.273 2.969 1.00 1.00 C ATOM 399 C GLN A 28 3.769 -3.952 4.277 1.00 1.00 C ATOM 400 O GLN A 28 4.755 -3.571 4.907 1.00 1.00 O ATOM 401 CB GLN A 28 2.662 -1.943 3.259 1.00 1.00 C ATOM 402 CG GLN A 28 3.347 -0.741 2.633 1.00 1.00 C ATOM 403 CD GLN A 28 4.467 -0.193 3.496 1.00 1.00 C ATOM 404 OE1 GLN A 28 5.138 -0.938 4.209 1.00 1.00 O ATOM 405 NE2 GLN A 28 4.671 1.118 3.438 1.00 1.00 N ATOM 0 H GLN A 28 1.563 -3.749 2.024 1.00 1.00 H new ATOM 0 HA GLN A 28 4.267 -3.078 2.387 1.00 1.00 H new ATOM 0 HB2 GLN A 28 1.637 -1.997 2.893 1.00 1.00 H new ATOM 0 HB3 GLN A 28 2.608 -1.798 4.338 1.00 1.00 H new ATOM 0 HG2 GLN A 28 3.748 -1.022 1.659 1.00 1.00 H new ATOM 0 HG3 GLN A 28 2.610 0.043 2.460 1.00 1.00 H new ATOM 0 HE21 GLN A 28 4.090 1.698 2.833 1.00 1.00 H new ATOM 0 HE22 GLN A 28 5.408 1.545 3.999 1.00 1.00 H new ATOM 414 N ALA A 29 2.992 -4.958 4.683 1.00 1.00 N ATOM 415 CA ALA A 29 3.260 -5.683 5.915 1.00 1.00 C ATOM 416 C ALA A 29 4.568 -6.469 5.842 1.00 1.00 C ATOM 417 O ALA A 29 5.462 -6.269 6.665 1.00 1.00 O ATOM 418 CB ALA A 29 2.103 -6.617 6.239 1.00 1.00 C ATOM 0 H ALA A 29 2.172 -5.285 4.172 1.00 1.00 H new ATOM 0 HA ALA A 29 3.363 -4.947 6.712 1.00 1.00 H new ATOM 0 HB1 ALA A 29 2.316 -7.154 7.163 1.00 1.00 H new ATOM 0 HB2 ALA A 29 1.189 -6.036 6.360 1.00 1.00 H new ATOM 0 HB3 ALA A 29 1.974 -7.332 5.426 1.00 1.00 H new ATOM 424 N TYR A 30 4.673 -7.378 4.874 1.00 1.00 N ATOM 425 CA TYR A 30 5.877 -8.194 4.743 1.00 1.00 C ATOM 426 C TYR A 30 6.316 -8.385 3.288 1.00 1.00 C ATOM 427 O TYR A 30 7.284 -9.100 3.027 1.00 1.00 O ATOM 428 CB TYR A 30 5.646 -9.557 5.390 1.00 1.00 C ATOM 429 CG TYR A 30 5.919 -9.576 6.876 1.00 1.00 C ATOM 430 CD1 TYR A 30 4.941 -9.194 7.785 1.00 1.00 C ATOM 431 CD2 TYR A 30 7.156 -9.974 7.370 1.00 1.00 C ATOM 432 CE1 TYR A 30 5.186 -9.208 9.144 1.00 1.00 C ATOM 433 CE2 TYR A 30 7.408 -9.991 8.729 1.00 1.00 C ATOM 434 CZ TYR A 30 6.420 -9.606 9.610 1.00 1.00 C ATOM 435 OH TYR A 30 6.668 -9.622 10.964 1.00 1.00 O ATOM 0 H TYR A 30 3.950 -7.566 4.179 1.00 1.00 H new ATOM 0 HA TYR A 30 6.680 -7.660 5.251 1.00 1.00 H new ATOM 0 HB2 TYR A 30 4.615 -9.863 5.215 1.00 1.00 H new ATOM 0 HB3 TYR A 30 6.284 -10.294 4.902 1.00 1.00 H new ATOM 0 HD1 TYR A 30 3.973 -8.881 7.423 1.00 1.00 H new ATOM 0 HD2 TYR A 30 7.932 -10.274 6.681 1.00 1.00 H new ATOM 0 HE1 TYR A 30 4.414 -8.909 9.838 1.00 1.00 H new ATOM 0 HE2 TYR A 30 8.373 -10.304 9.099 1.00 1.00 H new ATOM 0 HH TYR A 30 7.585 -9.928 11.125 1.00 1.00 H new ATOM 445 N TYR A 31 5.621 -7.759 2.342 1.00 1.00 N ATOM 446 CA TYR A 31 5.986 -7.898 0.934 1.00 1.00 C ATOM 447 C TYR A 31 6.890 -6.755 0.487 1.00 1.00 C ATOM 448 O TYR A 31 7.993 -6.983 -0.010 1.00 1.00 O ATOM 449 CB TYR A 31 4.735 -7.949 0.056 1.00 1.00 C ATOM 450 CG TYR A 31 4.269 -9.354 -0.253 1.00 1.00 C ATOM 451 CD1 TYR A 31 3.369 -10.007 0.582 1.00 1.00 C ATOM 452 CD2 TYR A 31 4.726 -10.027 -1.379 1.00 1.00 C ATOM 453 CE1 TYR A 31 2.942 -11.291 0.304 1.00 1.00 C ATOM 454 CE2 TYR A 31 4.302 -11.311 -1.664 1.00 1.00 C ATOM 455 CZ TYR A 31 3.410 -11.938 -0.820 1.00 1.00 C ATOM 456 OH TYR A 31 2.985 -13.216 -1.101 1.00 1.00 O ATOM 0 H TYR A 31 4.815 -7.160 2.519 1.00 1.00 H new ATOM 0 HA TYR A 31 6.534 -8.834 0.823 1.00 1.00 H new ATOM 0 HB2 TYR A 31 3.930 -7.409 0.554 1.00 1.00 H new ATOM 0 HB3 TYR A 31 4.937 -7.428 -0.880 1.00 1.00 H new ATOM 0 HD1 TYR A 31 2.998 -9.502 1.462 1.00 1.00 H new ATOM 0 HD2 TYR A 31 5.424 -9.539 -2.043 1.00 1.00 H new ATOM 0 HE1 TYR A 31 2.245 -11.786 0.964 1.00 1.00 H new ATOM 0 HE2 TYR A 31 4.667 -11.821 -2.543 1.00 1.00 H new ATOM 0 HH TYR A 31 3.408 -13.527 -1.928 1.00 1.00 H new ATOM 466 N CYS A 32 6.420 -5.527 0.667 1.00 1.00 N ATOM 467 CA CYS A 32 7.190 -4.350 0.280 1.00 1.00 C ATOM 468 C CYS A 32 8.521 -4.303 1.025 1.00 1.00 C ATOM 469 O CYS A 32 8.571 -3.957 2.205 1.00 1.00 O ATOM 470 CB CYS A 32 6.393 -3.075 0.555 1.00 1.00 C ATOM 471 SG CYS A 32 6.659 -1.755 -0.673 1.00 1.00 S ATOM 0 H CYS A 32 5.510 -5.319 1.078 1.00 1.00 H new ATOM 0 HA CYS A 32 7.393 -4.417 -0.789 1.00 1.00 H new ATOM 0 HB2 CYS A 32 5.332 -3.321 0.584 1.00 1.00 H new ATOM 0 HB3 CYS A 32 6.660 -2.698 1.542 1.00 1.00 H new ATOM 476 N SER A 33 9.598 -4.653 0.323 1.00 1.00 N ATOM 477 CA SER A 33 10.938 -4.655 0.908 1.00 1.00 C ATOM 478 C SER A 33 10.946 -5.312 2.288 1.00 1.00 C ATOM 479 O SER A 33 9.957 -5.914 2.707 1.00 1.00 O ATOM 480 CB SER A 33 11.471 -3.223 1.008 1.00 1.00 C ATOM 481 OG SER A 33 12.469 -2.980 0.031 1.00 1.00 O ATOM 0 H SER A 33 9.568 -4.940 -0.655 1.00 1.00 H new ATOM 0 HA SER A 33 11.586 -5.238 0.254 1.00 1.00 H new ATOM 0 HB2 SER A 33 10.651 -2.517 0.878 1.00 1.00 H new ATOM 0 HB3 SER A 33 11.883 -3.054 2.003 1.00 1.00 H new ATOM 0 HG SER A 33 12.792 -2.058 0.115 1.00 1.00 H new ATOM 487 N HIS A 34 12.071 -5.194 2.987 1.00 1.00 N ATOM 488 CA HIS A 34 12.210 -5.776 4.316 1.00 1.00 C ATOM 489 C HIS A 34 12.143 -4.695 5.392 1.00 1.00 C ATOM 490 O HIS A 34 13.138 -4.398 6.052 1.00 1.00 O ATOM 491 CB HIS A 34 13.530 -6.542 4.426 1.00 1.00 C ATOM 492 CG HIS A 34 13.673 -7.638 3.416 1.00 1.00 C ATOM 493 ND1 HIS A 34 13.625 -7.418 2.055 1.00 1.00 N ATOM 494 CD2 HIS A 34 13.865 -8.969 3.572 1.00 1.00 C ATOM 495 CE1 HIS A 34 13.781 -8.565 1.420 1.00 1.00 C ATOM 496 NE2 HIS A 34 13.930 -9.522 2.317 1.00 1.00 N ATOM 0 H HIS A 34 12.899 -4.700 2.654 1.00 1.00 H new ATOM 0 HA HIS A 34 11.383 -6.469 4.470 1.00 1.00 H new ATOM 0 HB2 HIS A 34 14.357 -5.842 4.310 1.00 1.00 H new ATOM 0 HB3 HIS A 34 13.611 -6.968 5.426 1.00 1.00 H new ATOM 0 HD2 HIS A 34 13.951 -9.498 4.510 1.00 1.00 H new ATOM 0 HE1 HIS A 34 13.786 -8.698 0.348 1.00 1.00 H new ATOM 0 HE2 HIS A 34 14.071 -10.511 2.111 1.00 1.00 H new ATOM 505 N ARG A 35 10.962 -4.110 5.561 1.00 1.00 N ATOM 506 CA ARG A 35 10.765 -3.061 6.556 1.00 1.00 C ATOM 507 C ARG A 35 10.555 -3.659 7.943 1.00 1.00 C ATOM 508 O ARG A 35 9.756 -4.578 8.119 1.00 1.00 O ATOM 509 CB ARG A 35 9.566 -2.190 6.177 1.00 1.00 C ATOM 510 CG ARG A 35 9.507 -0.875 6.937 1.00 1.00 C ATOM 511 CD ARG A 35 8.266 -0.076 6.573 1.00 1.00 C ATOM 512 NE ARG A 35 7.653 0.546 7.745 1.00 1.00 N ATOM 513 CZ ARG A 35 6.608 1.368 7.687 1.00 1.00 C ATOM 514 NH1 ARG A 35 6.058 1.672 6.518 1.00 1.00 N ATOM 515 NH2 ARG A 35 6.114 1.888 8.801 1.00 1.00 N ATOM 0 H ARG A 35 10.128 -4.344 5.023 1.00 1.00 H new ATOM 0 HA ARG A 35 11.663 -2.443 6.579 1.00 1.00 H new ATOM 0 HB2 ARG A 35 9.602 -1.981 5.108 1.00 1.00 H new ATOM 0 HB3 ARG A 35 8.648 -2.749 6.362 1.00 1.00 H new ATOM 0 HG2 ARG A 35 9.512 -1.073 8.009 1.00 1.00 H new ATOM 0 HG3 ARG A 35 10.398 -0.286 6.717 1.00 1.00 H new ATOM 0 HD2 ARG A 35 8.530 0.695 5.850 1.00 1.00 H new ATOM 0 HD3 ARG A 35 7.542 -0.731 6.090 1.00 1.00 H new ATOM 0 HE ARG A 35 8.050 0.338 8.661 1.00 1.00 H new ATOM 0 HH11 ARG A 35 6.436 1.275 5.658 1.00 1.00 H new ATOM 0 HH12 ARG A 35 5.257 2.303 6.480 1.00 1.00 H new ATOM 0 HH21 ARG A 35 6.535 1.658 9.701 1.00 1.00 H new ATOM 0 HH22 ARG A 35 5.313 2.518 8.758 1.00 1.00 H new ATOM 529 N ILE A 36 11.279 -3.131 8.924 1.00 1.00 N ATOM 530 CA ILE A 36 11.172 -3.613 10.296 1.00 1.00 C ATOM 531 C ILE A 36 10.397 -2.626 11.164 1.00 1.00 C ATOM 532 O ILE A 36 9.632 -3.084 12.039 1.00 1.00 O ATOM 533 CB ILE A 36 12.565 -3.852 10.917 1.00 1.00 C ATOM 534 CG1 ILE A 36 12.431 -4.481 12.306 1.00 1.00 C ATOM 535 CG2 ILE A 36 13.345 -2.547 10.991 1.00 1.00 C ATOM 536 CD1 ILE A 36 12.634 -5.981 12.309 1.00 1.00 C ATOM 537 OXT ILE A 36 10.561 -1.405 10.960 1.00 1.00 O ATOM 0 H ILE A 36 11.946 -2.370 8.795 1.00 1.00 H new ATOM 0 HA ILE A 36 10.633 -4.560 10.261 1.00 1.00 H new ATOM 0 HB ILE A 36 13.115 -4.544 10.279 1.00 1.00 H new ATOM 0 HG12 ILE A 36 13.158 -4.022 12.976 1.00 1.00 H new ATOM 0 HG13 ILE A 36 11.442 -4.255 12.705 1.00 1.00 H new ATOM 0 HG21 ILE A 36 14.325 -2.733 11.431 1.00 1.00 H new ATOM 0 HG22 ILE A 36 13.469 -2.140 9.987 1.00 1.00 H new ATOM 0 HG23 ILE A 36 12.800 -1.832 11.607 1.00 1.00 H new ATOM 0 HD11 ILE A 36 12.525 -6.361 13.325 1.00 1.00 H new ATOM 0 HD12 ILE A 36 11.891 -6.450 11.665 1.00 1.00 H new ATOM 0 HD13 ILE A 36 13.633 -6.214 11.940 1.00 1.00 H new TER 549 ILE A 36 HETATM 550 ZN ZN A 37 5.474 -2.325 -2.558 1.00 1.00 ZN