USER MOD reduce.3.24.130724 H: found=0, std=0, add=269, rem=0, adj=5 USER MOD reduce.3.24.130724 removed 269 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+ -117:sc= 0.0192 (180deg=-0.0862) USER MOD Single : A 6 SER OG : rot 37:sc= 0.733 USER MOD Single : A 10 SER OG : rot 179:sc= -0.0213 USER MOD Single : A 20 LYS NZ :NH3+ -158:sc= 1.25 (180deg=0.914) USER MOD Single : A 22 THR OG1 : rot 92:sc= 1.3 USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 16.252 7.001 1.723 1.00 0.00 N ATOM 2 CA LEU A 1 15.299 6.232 0.923 1.00 0.00 C ATOM 3 C LEU A 1 13.932 6.291 1.562 1.00 0.00 C ATOM 4 O LEU A 1 13.818 6.195 2.784 1.00 0.00 O ATOM 5 CB LEU A 1 15.756 4.775 0.785 1.00 0.00 C ATOM 6 CG LEU A 1 17.026 4.551 -0.032 1.00 0.00 C ATOM 7 CD1 LEU A 1 17.494 3.123 0.107 1.00 0.00 C ATOM 8 CD2 LEU A 1 16.782 4.873 -1.498 1.00 0.00 C ATOM 0 H1 LEU A 1 16.615 7.796 1.160 1.00 0.00 H new ATOM 0 H2 LEU A 1 15.777 7.367 2.573 1.00 0.00 H new ATOM 0 H3 LEU A 1 17.043 6.387 2.006 1.00 0.00 H new ATOM 0 HA LEU A 1 15.249 6.669 -0.074 1.00 0.00 H new ATOM 0 HB2 LEU A 1 15.912 4.367 1.784 1.00 0.00 H new ATOM 0 HB3 LEU A 1 14.948 4.202 0.330 1.00 0.00 H new ATOM 0 HG LEU A 1 17.799 5.217 0.350 1.00 0.00 H new ATOM 0 HD11 LEU A 1 18.400 2.978 -0.481 1.00 0.00 H new ATOM 0 HD12 LEU A 1 17.703 2.909 1.155 1.00 0.00 H new ATOM 0 HD13 LEU A 1 16.717 2.449 -0.253 1.00 0.00 H new ATOM 0 HD21 LEU A 1 17.698 4.707 -2.064 1.00 0.00 H new ATOM 0 HD22 LEU A 1 15.994 4.228 -1.886 1.00 0.00 H new ATOM 0 HD23 LEU A 1 16.478 5.915 -1.596 1.00 0.00 H new ATOM 22 N PRO A 2 12.883 6.466 0.760 1.00 0.00 N ATOM 23 CA PRO A 2 11.512 6.553 1.262 1.00 0.00 C ATOM 24 C PRO A 2 10.976 5.210 1.739 1.00 0.00 C ATOM 25 O PRO A 2 11.455 4.142 1.334 1.00 0.00 O ATOM 26 CB PRO A 2 10.718 7.051 0.053 1.00 0.00 C ATOM 27 CG PRO A 2 11.491 6.570 -1.128 1.00 0.00 C ATOM 28 CD PRO A 2 12.939 6.579 -0.716 1.00 0.00 C ATOM 0 HA PRO A 2 11.442 7.206 2.132 1.00 0.00 H new ATOM 0 HB2 PRO A 2 9.704 6.651 0.053 1.00 0.00 H new ATOM 0 HB3 PRO A 2 10.632 8.138 0.055 1.00 0.00 H new ATOM 0 HG2 PRO A 2 11.175 5.568 -1.418 1.00 0.00 H new ATOM 0 HG3 PRO A 2 11.328 7.217 -1.990 1.00 0.00 H new ATOM 0 HD2 PRO A 2 13.487 5.749 -1.161 1.00 0.00 H new ATOM 0 HD3 PRO A 2 13.439 7.496 -1.029 1.00 0.00 H new ATOM 36 N ARG A 3 10.019 5.277 2.611 1.00 0.00 N ATOM 37 CA ARG A 3 9.374 4.119 3.150 1.00 0.00 C ATOM 38 C ARG A 3 7.912 4.162 2.740 1.00 0.00 C ATOM 39 O ARG A 3 7.478 5.127 2.092 1.00 0.00 O ATOM 40 CB ARG A 3 9.499 4.110 4.670 1.00 0.00 C ATOM 41 CG ARG A 3 10.930 4.134 5.186 1.00 0.00 C ATOM 42 CD ARG A 3 10.967 4.110 6.702 1.00 0.00 C ATOM 43 NE ARG A 3 10.468 2.847 7.247 1.00 0.00 N ATOM 44 CZ ARG A 3 9.546 2.721 8.203 1.00 0.00 C ATOM 45 NH1 ARG A 3 8.890 3.784 8.651 1.00 0.00 N ATOM 46 NH2 ARG A 3 9.269 1.514 8.689 1.00 0.00 N ATOM 0 H ARG A 3 9.656 6.157 2.976 1.00 0.00 H new ATOM 0 HA ARG A 3 9.843 3.212 2.768 1.00 0.00 H new ATOM 0 HB2 ARG A 3 8.967 4.973 5.071 1.00 0.00 H new ATOM 0 HB3 ARG A 3 9.001 3.221 5.057 1.00 0.00 H new ATOM 0 HG2 ARG A 3 11.476 3.276 4.793 1.00 0.00 H new ATOM 0 HG3 ARG A 3 11.436 5.028 4.821 1.00 0.00 H new ATOM 0 HD2 ARG A 3 11.990 4.271 7.041 1.00 0.00 H new ATOM 0 HD3 ARG A 3 10.369 4.934 7.091 1.00 0.00 H new ATOM 0 HE ARG A 3 10.860 1.987 6.862 1.00 0.00 H new ATOM 0 HH11 ARG A 3 9.089 4.707 8.264 1.00 0.00 H new ATOM 0 HH12 ARG A 3 8.187 3.678 9.382 1.00 0.00 H new ATOM 0 HH21 ARG A 3 9.760 0.695 8.331 1.00 0.00 H new ATOM 0 HH22 ARG A 3 8.566 1.408 9.420 1.00 0.00 H new ATOM 60 N CYS A 4 7.161 3.168 3.107 1.00 0.00 N ATOM 61 CA CYS A 4 5.765 3.119 2.740 1.00 0.00 C ATOM 62 C CYS A 4 4.890 3.611 3.880 1.00 0.00 C ATOM 63 O CYS A 4 3.989 4.436 3.668 1.00 0.00 O ATOM 64 CB CYS A 4 5.379 1.707 2.330 1.00 0.00 C ATOM 65 SG CYS A 4 6.373 1.043 0.954 1.00 0.00 S ATOM 0 H CYS A 4 7.485 2.376 3.661 1.00 0.00 H new ATOM 0 HA CYS A 4 5.607 3.781 1.888 1.00 0.00 H new ATOM 0 HB2 CYS A 4 5.482 1.047 3.192 1.00 0.00 H new ATOM 0 HB3 CYS A 4 4.327 1.696 2.044 1.00 0.00 H new ATOM 70 N ASP A 5 5.170 3.107 5.088 1.00 0.00 N ATOM 71 CA ASP A 5 4.436 3.471 6.309 1.00 0.00 C ATOM 72 C ASP A 5 2.966 3.148 6.219 1.00 0.00 C ATOM 73 O ASP A 5 2.136 3.848 6.802 1.00 0.00 O ATOM 74 CB ASP A 5 4.625 4.951 6.688 1.00 0.00 C ATOM 75 CG ASP A 5 5.902 5.216 7.427 1.00 0.00 C ATOM 76 OD1 ASP A 5 5.921 5.035 8.679 1.00 0.00 O ATOM 77 OD2 ASP A 5 6.895 5.644 6.801 1.00 0.00 O ATOM 0 H ASP A 5 5.917 2.431 5.248 1.00 0.00 H new ATOM 0 HA ASP A 5 4.869 2.858 7.099 1.00 0.00 H new ATOM 0 HB2 ASP A 5 4.606 5.556 5.782 1.00 0.00 H new ATOM 0 HB3 ASP A 5 3.784 5.271 7.303 1.00 0.00 H new ATOM 82 N SER A 6 2.635 2.077 5.548 1.00 0.00 N ATOM 83 CA SER A 6 1.259 1.714 5.395 1.00 0.00 C ATOM 84 C SER A 6 0.758 0.929 6.605 1.00 0.00 C ATOM 85 O SER A 6 1.298 -0.138 6.925 1.00 0.00 O ATOM 86 CB SER A 6 1.043 0.929 4.094 1.00 0.00 C ATOM 87 OG SER A 6 1.931 -0.188 3.983 1.00 0.00 O ATOM 0 H SER A 6 3.300 1.445 5.101 1.00 0.00 H new ATOM 0 HA SER A 6 0.674 2.631 5.334 1.00 0.00 H new ATOM 0 HB2 SER A 6 0.012 0.577 4.051 1.00 0.00 H new ATOM 0 HB3 SER A 6 1.189 1.593 3.242 1.00 0.00 H new ATOM 0 HG SER A 6 2.065 -0.589 4.867 1.00 0.00 H new ATOM 93 N PRO A 7 -0.247 1.460 7.331 1.00 0.00 N ATOM 94 CA PRO A 7 -0.864 0.724 8.419 1.00 0.00 C ATOM 95 C PRO A 7 -1.718 -0.396 7.833 1.00 0.00 C ATOM 96 O PRO A 7 -1.846 -1.483 8.400 1.00 0.00 O ATOM 97 CB PRO A 7 -1.735 1.767 9.138 1.00 0.00 C ATOM 98 CG PRO A 7 -1.957 2.869 8.151 1.00 0.00 C ATOM 99 CD PRO A 7 -0.825 2.815 7.159 1.00 0.00 C ATOM 0 HA PRO A 7 -0.148 0.263 9.099 1.00 0.00 H new ATOM 0 HB2 PRO A 7 -2.682 1.332 9.456 1.00 0.00 H new ATOM 0 HB3 PRO A 7 -1.238 2.140 10.034 1.00 0.00 H new ATOM 0 HG2 PRO A 7 -2.916 2.747 7.647 1.00 0.00 H new ATOM 0 HG3 PRO A 7 -1.982 3.836 8.653 1.00 0.00 H new ATOM 0 HD2 PRO A 7 -1.182 2.968 6.141 1.00 0.00 H new ATOM 0 HD3 PRO A 7 -0.085 3.591 7.358 1.00 0.00 H new ATOM 107 N PHE A 8 -2.227 -0.113 6.652 1.00 0.00 N ATOM 108 CA PHE A 8 -3.051 -0.979 5.876 1.00 0.00 C ATOM 109 C PHE A 8 -3.151 -0.334 4.517 1.00 0.00 C ATOM 110 O PHE A 8 -2.654 0.781 4.333 1.00 0.00 O ATOM 111 CB PHE A 8 -4.477 -1.096 6.491 1.00 0.00 C ATOM 112 CG PHE A 8 -5.289 0.195 6.458 1.00 0.00 C ATOM 113 CD1 PHE A 8 -5.133 1.156 7.439 1.00 0.00 C ATOM 114 CD2 PHE A 8 -6.201 0.438 5.434 1.00 0.00 C ATOM 115 CE1 PHE A 8 -5.857 2.328 7.400 1.00 0.00 C ATOM 116 CE2 PHE A 8 -6.929 1.608 5.394 1.00 0.00 C ATOM 117 CZ PHE A 8 -6.756 2.556 6.380 1.00 0.00 C ATOM 0 H PHE A 8 -2.059 0.782 6.193 1.00 0.00 H new ATOM 0 HA PHE A 8 -2.629 -1.983 5.836 1.00 0.00 H new ATOM 0 HB2 PHE A 8 -5.027 -1.870 5.956 1.00 0.00 H new ATOM 0 HB3 PHE A 8 -4.387 -1.427 7.526 1.00 0.00 H new ATOM 0 HD1 PHE A 8 -4.435 0.986 8.246 1.00 0.00 H new ATOM 0 HD2 PHE A 8 -6.340 -0.302 4.659 1.00 0.00 H new ATOM 0 HE1 PHE A 8 -5.720 3.071 8.172 1.00 0.00 H new ATOM 0 HE2 PHE A 8 -7.632 1.781 4.593 1.00 0.00 H new ATOM 0 HZ PHE A 8 -7.323 3.475 6.353 1.00 0.00 H new ATOM 127 N CYS A 9 -3.748 -1.017 3.601 1.00 0.00 N ATOM 128 CA CYS A 9 -4.083 -0.505 2.303 1.00 0.00 C ATOM 129 C CYS A 9 -5.061 -1.501 1.740 1.00 0.00 C ATOM 130 O CYS A 9 -5.173 -2.614 2.284 1.00 0.00 O ATOM 131 CB CYS A 9 -2.841 -0.371 1.405 1.00 0.00 C ATOM 132 SG CYS A 9 -3.120 0.551 -0.155 1.00 0.00 S ATOM 0 H CYS A 9 -4.030 -1.988 3.735 1.00 0.00 H new ATOM 0 HA CYS A 9 -4.504 0.499 2.360 1.00 0.00 H new ATOM 0 HB2 CYS A 9 -2.053 0.127 1.970 1.00 0.00 H new ATOM 0 HB3 CYS A 9 -2.476 -1.369 1.161 1.00 0.00 H new ATOM 137 N SER A 10 -5.795 -1.146 0.738 1.00 0.00 N ATOM 138 CA SER A 10 -6.797 -2.036 0.204 1.00 0.00 C ATOM 139 C SER A 10 -6.971 -1.803 -1.272 1.00 0.00 C ATOM 140 O SER A 10 -6.507 -0.823 -1.782 1.00 0.00 O ATOM 141 CB SER A 10 -8.132 -1.791 0.913 1.00 0.00 C ATOM 142 OG SER A 10 -8.022 -2.003 2.309 1.00 0.00 O ATOM 0 H SER A 10 -5.727 -0.245 0.265 1.00 0.00 H new ATOM 0 HA SER A 10 -6.474 -3.064 0.367 1.00 0.00 H new ATOM 0 HB2 SER A 10 -8.464 -0.770 0.723 1.00 0.00 H new ATOM 0 HB3 SER A 10 -8.892 -2.455 0.501 1.00 0.00 H new ATOM 0 HG SER A 10 -8.886 -1.825 2.736 1.00 0.00 H new ATOM 148 N LEU A 11 -7.663 -2.709 -1.944 1.00 0.00 N ATOM 149 CA LEU A 11 -7.965 -2.541 -3.358 1.00 0.00 C ATOM 150 C LEU A 11 -8.945 -1.386 -3.545 1.00 0.00 C ATOM 151 O LEU A 11 -8.990 -0.749 -4.601 1.00 0.00 O ATOM 152 CB LEU A 11 -8.540 -3.834 -4.010 1.00 0.00 C ATOM 153 CG LEU A 11 -9.885 -4.398 -3.479 1.00 0.00 C ATOM 154 CD1 LEU A 11 -10.460 -5.387 -4.477 1.00 0.00 C ATOM 155 CD2 LEU A 11 -9.724 -5.101 -2.130 1.00 0.00 C ATOM 0 H LEU A 11 -8.027 -3.569 -1.534 1.00 0.00 H new ATOM 0 HA LEU A 11 -7.024 -2.320 -3.862 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -8.659 -3.642 -5.076 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -7.789 -4.618 -3.909 1.00 0.00 H new ATOM 0 HG LEU A 11 -10.557 -3.550 -3.346 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -11.404 -5.779 -4.098 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -10.632 -4.885 -5.429 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -9.758 -6.208 -4.621 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -10.691 -5.479 -1.799 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -9.026 -5.932 -2.234 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -9.340 -4.394 -1.395 1.00 0.00 H new ATOM 167 N PHE A 12 -9.733 -1.136 -2.514 1.00 0.00 N ATOM 168 CA PHE A 12 -10.705 -0.063 -2.530 1.00 0.00 C ATOM 169 C PHE A 12 -10.019 1.241 -2.169 1.00 0.00 C ATOM 170 O PHE A 12 -10.318 2.290 -2.718 1.00 0.00 O ATOM 171 CB PHE A 12 -11.830 -0.334 -1.514 1.00 0.00 C ATOM 172 CG PHE A 12 -12.459 -1.699 -1.613 1.00 0.00 C ATOM 173 CD1 PHE A 12 -12.412 -2.572 -0.535 1.00 0.00 C ATOM 174 CD2 PHE A 12 -13.083 -2.115 -2.775 1.00 0.00 C ATOM 175 CE1 PHE A 12 -12.976 -3.828 -0.619 1.00 0.00 C ATOM 176 CE2 PHE A 12 -13.649 -3.371 -2.862 1.00 0.00 C ATOM 177 CZ PHE A 12 -13.595 -4.227 -1.783 1.00 0.00 C ATOM 0 H PHE A 12 -9.715 -1.671 -1.646 1.00 0.00 H new ATOM 0 HA PHE A 12 -11.137 0.000 -3.529 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -11.430 -0.207 -0.508 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -12.607 0.419 -1.645 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -11.928 -2.264 0.380 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -13.128 -1.449 -3.624 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -12.932 -4.498 0.227 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -14.134 -3.683 -3.775 1.00 0.00 H new ATOM 0 HZ PHE A 12 -14.038 -5.210 -1.850 1.00 0.00 H new ATOM 187 N ARG A 13 -9.064 1.154 -1.270 1.00 0.00 N ATOM 188 CA ARG A 13 -8.389 2.318 -0.753 1.00 0.00 C ATOM 189 C ARG A 13 -6.909 2.181 -1.012 1.00 0.00 C ATOM 190 O ARG A 13 -6.187 1.593 -0.202 1.00 0.00 O ATOM 191 CB ARG A 13 -8.633 2.470 0.767 1.00 0.00 C ATOM 192 CG ARG A 13 -10.093 2.362 1.216 1.00 0.00 C ATOM 193 CD ARG A 13 -11.012 3.325 0.476 1.00 0.00 C ATOM 194 NE ARG A 13 -10.623 4.720 0.638 1.00 0.00 N ATOM 195 CZ ARG A 13 -11.092 5.729 -0.100 1.00 0.00 C ATOM 196 NH1 ARG A 13 -11.950 5.505 -1.095 1.00 0.00 N ATOM 197 NH2 ARG A 13 -10.690 6.960 0.145 1.00 0.00 N ATOM 0 H ARG A 13 -8.735 0.272 -0.878 1.00 0.00 H new ATOM 0 HA ARG A 13 -8.782 3.203 -1.253 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -8.054 1.708 1.288 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -8.244 3.438 1.084 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -10.442 1.341 1.059 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -10.154 2.559 2.286 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -11.013 3.075 -0.585 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -12.033 3.194 0.836 1.00 0.00 H new ATOM 0 HE ARG A 13 -9.944 4.941 1.367 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -12.256 4.554 -1.300 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -12.301 6.285 -1.651 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -10.023 7.139 0.896 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -11.046 7.734 -0.416 1.00 0.00 H new ATOM 211 N ILE A 14 -6.476 2.642 -2.164 1.00 0.00 N ATOM 212 CA ILE A 14 -5.065 2.579 -2.531 1.00 0.00 C ATOM 213 C ILE A 14 -4.418 3.924 -2.323 1.00 0.00 C ATOM 214 O ILE A 14 -3.221 4.095 -2.524 1.00 0.00 O ATOM 215 CB ILE A 14 -4.833 2.121 -3.993 1.00 0.00 C ATOM 216 CG1 ILE A 14 -5.596 3.015 -4.978 1.00 0.00 C ATOM 217 CG2 ILE A 14 -5.210 0.660 -4.170 1.00 0.00 C ATOM 218 CD1 ILE A 14 -5.345 2.682 -6.425 1.00 0.00 C ATOM 0 H ILE A 14 -7.077 3.067 -2.870 1.00 0.00 H new ATOM 0 HA ILE A 14 -4.611 1.830 -1.883 1.00 0.00 H new ATOM 0 HB ILE A 14 -3.770 2.220 -4.212 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -6.664 2.932 -4.776 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -5.318 4.054 -4.801 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -5.038 0.363 -5.204 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -4.600 0.044 -3.509 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -6.263 0.523 -3.923 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -5.920 3.358 -7.059 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -4.283 2.793 -6.645 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -5.650 1.654 -6.620 1.00 0.00 H new ATOM 230 N GLY A 15 -5.229 4.880 -1.886 1.00 0.00 N ATOM 231 CA GLY A 15 -4.770 6.226 -1.614 1.00 0.00 C ATOM 232 C GLY A 15 -3.780 6.284 -0.468 1.00 0.00 C ATOM 233 O GLY A 15 -3.133 7.314 -0.247 1.00 0.00 O ATOM 0 H GLY A 15 -6.224 4.738 -1.712 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -4.306 6.636 -2.511 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -5.627 6.858 -1.381 1.00 0.00 H new ATOM 237 N LEU A 16 -3.674 5.186 0.264 1.00 0.00 N ATOM 238 CA LEU A 16 -2.718 5.030 1.359 1.00 0.00 C ATOM 239 C LEU A 16 -1.287 5.269 0.885 1.00 0.00 C ATOM 240 O LEU A 16 -0.499 5.938 1.567 1.00 0.00 O ATOM 241 CB LEU A 16 -2.819 3.620 1.996 1.00 0.00 C ATOM 242 CG LEU A 16 -3.951 3.353 3.014 1.00 0.00 C ATOM 243 CD1 LEU A 16 -3.760 4.189 4.263 1.00 0.00 C ATOM 244 CD2 LEU A 16 -5.334 3.580 2.420 1.00 0.00 C ATOM 0 H LEU A 16 -4.257 4.363 0.115 1.00 0.00 H new ATOM 0 HA LEU A 16 -2.971 5.778 2.110 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -2.923 2.897 1.187 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -1.871 3.411 2.491 1.00 0.00 H new ATOM 0 HG LEU A 16 -3.891 2.299 3.285 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -4.568 3.984 4.965 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -2.805 3.939 4.726 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -3.769 5.246 3.998 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -6.092 3.379 3.177 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -5.421 4.614 2.085 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -5.480 2.910 1.572 1.00 0.00 H new ATOM 256 N CYS A 17 -0.968 4.776 -0.287 1.00 0.00 N ATOM 257 CA CYS A 17 0.374 4.880 -0.804 1.00 0.00 C ATOM 258 C CYS A 17 0.347 5.336 -2.245 1.00 0.00 C ATOM 259 O CYS A 17 -0.503 4.908 -3.022 1.00 0.00 O ATOM 260 CB CYS A 17 1.075 3.532 -0.703 1.00 0.00 C ATOM 261 SG CYS A 17 1.133 2.846 0.986 1.00 0.00 S ATOM 0 H CYS A 17 -1.624 4.296 -0.904 1.00 0.00 H new ATOM 0 HA CYS A 17 0.921 5.614 -0.212 1.00 0.00 H new ATOM 0 HB2 CYS A 17 0.567 2.821 -1.355 1.00 0.00 H new ATOM 0 HB3 CYS A 17 2.094 3.636 -1.076 1.00 0.00 H new ATOM 266 N GLY A 18 1.246 6.210 -2.590 1.00 0.00 N ATOM 267 CA GLY A 18 1.322 6.694 -3.925 1.00 0.00 C ATOM 268 C GLY A 18 2.716 7.143 -4.254 1.00 0.00 C ATOM 269 O GLY A 18 3.452 7.569 -3.350 1.00 0.00 O ATOM 0 H GLY A 18 1.941 6.602 -1.954 1.00 0.00 H new ATOM 0 HA2 GLY A 18 1.015 5.911 -4.618 1.00 0.00 H new ATOM 0 HA3 GLY A 18 0.628 7.524 -4.055 1.00 0.00 H new ATOM 273 N ASP A 19 3.106 6.950 -5.518 1.00 0.00 N ATOM 274 CA ASP A 19 4.373 7.393 -6.124 1.00 0.00 C ATOM 275 C ASP A 19 5.562 6.558 -5.711 1.00 0.00 C ATOM 276 O ASP A 19 6.476 6.296 -6.497 1.00 0.00 O ATOM 277 CB ASP A 19 4.597 8.874 -5.849 1.00 0.00 C ATOM 278 CG ASP A 19 5.943 9.383 -6.329 1.00 0.00 C ATOM 279 OD1 ASP A 19 6.132 9.554 -7.533 1.00 0.00 O ATOM 280 OD2 ASP A 19 6.851 9.621 -5.488 1.00 0.00 O ATOM 0 H ASP A 19 2.516 6.453 -6.186 1.00 0.00 H new ATOM 0 HA ASP A 19 4.281 7.245 -7.200 1.00 0.00 H new ATOM 0 HB2 ASP A 19 3.807 9.449 -6.333 1.00 0.00 H new ATOM 0 HB3 ASP A 19 4.511 9.053 -4.777 1.00 0.00 H new ATOM 285 N LYS A 20 5.514 6.092 -4.523 1.00 0.00 N ATOM 286 CA LYS A 20 6.636 5.412 -3.938 1.00 0.00 C ATOM 287 C LYS A 20 6.327 3.947 -3.693 1.00 0.00 C ATOM 288 O LYS A 20 7.130 3.061 -4.017 1.00 0.00 O ATOM 289 CB LYS A 20 7.031 6.138 -2.651 1.00 0.00 C ATOM 290 CG LYS A 20 7.095 7.644 -2.863 1.00 0.00 C ATOM 291 CD LYS A 20 7.537 8.403 -1.651 1.00 0.00 C ATOM 292 CE LYS A 20 7.299 9.906 -1.845 1.00 0.00 C ATOM 293 NZ LYS A 20 7.901 10.426 -3.099 1.00 0.00 N ATOM 0 H LYS A 20 4.699 6.164 -3.914 1.00 0.00 H new ATOM 0 HA LYS A 20 7.479 5.432 -4.629 1.00 0.00 H new ATOM 0 HB2 LYS A 20 6.310 5.909 -1.866 1.00 0.00 H new ATOM 0 HB3 LYS A 20 8.000 5.775 -2.309 1.00 0.00 H new ATOM 0 HG2 LYS A 20 7.779 7.858 -3.684 1.00 0.00 H new ATOM 0 HG3 LYS A 20 6.111 8.002 -3.166 1.00 0.00 H new ATOM 0 HD2 LYS A 20 6.991 8.052 -0.775 1.00 0.00 H new ATOM 0 HD3 LYS A 20 8.594 8.217 -1.463 1.00 0.00 H new ATOM 0 HE2 LYS A 20 6.227 10.101 -1.854 1.00 0.00 H new ATOM 0 HE3 LYS A 20 7.715 10.448 -0.996 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 8.046 11.452 -3.015 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 8.816 9.959 -3.265 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 7.263 10.231 -3.897 1.00 0.00 H new ATOM 307 N CYS A 21 5.167 3.681 -3.154 1.00 0.00 N ATOM 308 CA CYS A 21 4.771 2.323 -2.886 1.00 0.00 C ATOM 309 C CYS A 21 3.393 2.056 -3.456 1.00 0.00 C ATOM 310 O CYS A 21 2.593 2.984 -3.635 1.00 0.00 O ATOM 311 CB CYS A 21 4.741 2.067 -1.379 1.00 0.00 C ATOM 312 SG CYS A 21 6.274 2.476 -0.485 1.00 0.00 S ATOM 0 H CYS A 21 4.479 4.387 -2.892 1.00 0.00 H new ATOM 0 HA CYS A 21 5.496 1.658 -3.355 1.00 0.00 H new ATOM 0 HB2 CYS A 21 3.923 2.644 -0.946 1.00 0.00 H new ATOM 0 HB3 CYS A 21 4.513 1.014 -1.211 1.00 0.00 H new ATOM 317 N THR A 22 3.132 0.814 -3.755 1.00 0.00 N ATOM 318 CA THR A 22 1.843 0.362 -4.209 1.00 0.00 C ATOM 319 C THR A 22 1.439 -0.794 -3.297 1.00 0.00 C ATOM 320 O THR A 22 2.309 -1.492 -2.791 1.00 0.00 O ATOM 321 CB THR A 22 1.932 -0.115 -5.675 1.00 0.00 C ATOM 322 OG1 THR A 22 2.462 0.948 -6.489 1.00 0.00 O ATOM 323 CG2 THR A 22 0.561 -0.522 -6.202 1.00 0.00 C ATOM 0 H THR A 22 3.825 0.069 -3.689 1.00 0.00 H new ATOM 0 HA THR A 22 1.107 1.165 -4.170 1.00 0.00 H new ATOM 0 HB THR A 22 2.588 -0.984 -5.718 1.00 0.00 H new ATOM 0 HG1 THR A 22 3.436 0.860 -6.548 1.00 0.00 H new ATOM 0 HG21 THR A 22 0.653 -0.854 -7.236 1.00 0.00 H new ATOM 0 HG22 THR A 22 0.164 -1.335 -5.594 1.00 0.00 H new ATOM 0 HG23 THR A 22 -0.116 0.331 -6.153 1.00 0.00 H new ATOM 331 N CYS A 23 0.176 -0.974 -3.027 1.00 0.00 N ATOM 332 CA CYS A 23 -0.203 -2.025 -2.122 1.00 0.00 C ATOM 333 C CYS A 23 -0.801 -3.210 -2.815 1.00 0.00 C ATOM 334 O CYS A 23 -1.365 -3.103 -3.918 1.00 0.00 O ATOM 335 CB CYS A 23 -1.129 -1.519 -1.027 1.00 0.00 C ATOM 336 SG CYS A 23 -2.678 -0.782 -1.614 1.00 0.00 S ATOM 0 H CYS A 23 -0.592 -0.422 -3.409 1.00 0.00 H new ATOM 0 HA CYS A 23 0.724 -2.364 -1.659 1.00 0.00 H new ATOM 0 HB2 CYS A 23 -1.368 -2.349 -0.362 1.00 0.00 H new ATOM 0 HB3 CYS A 23 -0.594 -0.778 -0.433 1.00 0.00 H new ATOM 341 N VAL A 24 -0.623 -4.341 -2.196 1.00 0.00 N ATOM 342 CA VAL A 24 -1.218 -5.561 -2.619 1.00 0.00 C ATOM 343 C VAL A 24 -2.194 -6.016 -1.524 1.00 0.00 C ATOM 344 O VAL A 24 -1.798 -6.266 -0.391 1.00 0.00 O ATOM 345 CB VAL A 24 -0.153 -6.662 -2.966 1.00 0.00 C ATOM 346 CG1 VAL A 24 0.821 -6.918 -1.815 1.00 0.00 C ATOM 347 CG2 VAL A 24 -0.833 -7.958 -3.399 1.00 0.00 C ATOM 0 H VAL A 24 -0.044 -4.435 -1.362 1.00 0.00 H new ATOM 0 HA VAL A 24 -1.761 -5.397 -3.550 1.00 0.00 H new ATOM 0 HB VAL A 24 0.436 -6.280 -3.800 1.00 0.00 H new ATOM 0 HG11 VAL A 24 1.536 -7.687 -2.107 1.00 0.00 H new ATOM 0 HG12 VAL A 24 1.355 -5.998 -1.579 1.00 0.00 H new ATOM 0 HG13 VAL A 24 0.267 -7.252 -0.937 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -0.075 -8.705 -3.634 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -1.466 -8.325 -2.591 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -1.444 -7.771 -4.282 1.00 0.00 H new ATOM 357 N PRO A 25 -3.485 -6.008 -1.819 1.00 0.00 N ATOM 358 CA PRO A 25 -4.502 -6.401 -0.863 1.00 0.00 C ATOM 359 C PRO A 25 -4.740 -7.912 -0.848 1.00 0.00 C ATOM 360 O PRO A 25 -4.874 -8.539 -1.909 1.00 0.00 O ATOM 361 CB PRO A 25 -5.738 -5.670 -1.373 1.00 0.00 C ATOM 362 CG PRO A 25 -5.543 -5.524 -2.848 1.00 0.00 C ATOM 363 CD PRO A 25 -4.065 -5.593 -3.113 1.00 0.00 C ATOM 0 HA PRO A 25 -4.226 -6.154 0.162 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -6.645 -6.233 -1.152 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -5.843 -4.697 -0.894 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -6.067 -6.315 -3.385 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -5.952 -4.576 -3.198 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -3.835 -6.310 -3.901 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -3.672 -4.628 -3.435 1.00 0.00 H new ATOM 371 N LEU A 26 -4.783 -8.498 0.330 1.00 0.00 N ATOM 372 CA LEU A 26 -5.049 -9.915 0.445 1.00 0.00 C ATOM 373 C LEU A 26 -5.719 -10.251 1.783 1.00 0.00 C ATOM 374 O LEU A 26 -5.059 -10.295 2.817 1.00 0.00 O ATOM 375 CB LEU A 26 -3.779 -10.800 0.219 1.00 0.00 C ATOM 376 CG LEU A 26 -2.585 -10.657 1.196 1.00 0.00 C ATOM 377 CD1 LEU A 26 -1.619 -11.802 0.993 1.00 0.00 C ATOM 378 CD2 LEU A 26 -1.843 -9.342 1.000 1.00 0.00 C ATOM 0 H LEU A 26 -4.638 -8.017 1.218 1.00 0.00 H new ATOM 0 HA LEU A 26 -5.743 -10.157 -0.360 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -4.096 -11.843 0.236 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -3.409 -10.596 -0.786 1.00 0.00 H new ATOM 0 HG LEU A 26 -2.988 -10.673 2.209 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -0.781 -11.697 1.682 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -2.129 -12.746 1.183 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -1.249 -11.789 -0.032 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -1.014 -9.283 1.705 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -1.458 -9.290 -0.018 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -2.526 -8.510 1.173 1.00 0.00 H new ATOM 390 N PRO A 27 -7.052 -10.431 1.811 1.00 0.00 N ATOM 391 CA PRO A 27 -7.941 -10.235 0.657 1.00 0.00 C ATOM 392 C PRO A 27 -8.241 -8.757 0.406 1.00 0.00 C ATOM 393 O PRO A 27 -8.062 -8.255 -0.708 1.00 0.00 O ATOM 394 CB PRO A 27 -9.237 -10.954 1.074 1.00 0.00 C ATOM 395 CG PRO A 27 -8.909 -11.675 2.337 1.00 0.00 C ATOM 396 CD PRO A 27 -7.789 -10.923 2.969 1.00 0.00 C ATOM 0 HA PRO A 27 -7.494 -10.613 -0.263 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -10.048 -10.242 1.229 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -9.566 -11.648 0.301 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -9.774 -11.713 2.999 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -8.619 -12.706 2.132 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -8.150 -10.109 3.597 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -7.174 -11.564 3.600 1.00 0.00 H new ATOM 404 N ILE A 28 -8.665 -8.059 1.440 1.00 0.00 N ATOM 405 CA ILE A 28 -9.017 -6.660 1.311 1.00 0.00 C ATOM 406 C ILE A 28 -7.871 -5.792 1.776 1.00 0.00 C ATOM 407 O ILE A 28 -7.437 -4.891 1.066 1.00 0.00 O ATOM 408 CB ILE A 28 -10.305 -6.309 2.105 1.00 0.00 C ATOM 409 CG1 ILE A 28 -11.481 -7.148 1.594 1.00 0.00 C ATOM 410 CG2 ILE A 28 -10.616 -4.811 1.995 1.00 0.00 C ATOM 411 CD1 ILE A 28 -12.775 -6.925 2.341 1.00 0.00 C ATOM 0 H ILE A 28 -8.774 -8.439 2.380 1.00 0.00 H new ATOM 0 HA ILE A 28 -9.217 -6.468 0.257 1.00 0.00 H new ATOM 0 HB ILE A 28 -10.143 -6.542 3.157 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -11.641 -6.924 0.539 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -11.215 -8.203 1.659 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -11.522 -4.585 2.558 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -9.784 -4.236 2.401 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -10.764 -4.546 0.948 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -13.554 -7.557 1.915 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -12.636 -7.178 3.392 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -13.069 -5.879 2.255 1.00 0.00 H new ATOM 423 N PHE A 29 -7.380 -6.067 2.946 1.00 0.00 N ATOM 424 CA PHE A 29 -6.297 -5.319 3.494 1.00 0.00 C ATOM 425 C PHE A 29 -4.982 -5.976 3.148 1.00 0.00 C ATOM 426 O PHE A 29 -4.874 -7.211 3.115 1.00 0.00 O ATOM 427 CB PHE A 29 -6.445 -5.139 5.015 1.00 0.00 C ATOM 428 CG PHE A 29 -7.668 -4.349 5.425 1.00 0.00 C ATOM 429 CD1 PHE A 29 -8.809 -4.988 5.874 1.00 0.00 C ATOM 430 CD2 PHE A 29 -7.673 -2.970 5.348 1.00 0.00 C ATOM 431 CE1 PHE A 29 -9.927 -4.266 6.240 1.00 0.00 C ATOM 432 CE2 PHE A 29 -8.789 -2.242 5.713 1.00 0.00 C ATOM 433 CZ PHE A 29 -9.918 -2.893 6.161 1.00 0.00 C ATOM 0 H PHE A 29 -7.721 -6.818 3.546 1.00 0.00 H new ATOM 0 HA PHE A 29 -6.315 -4.323 3.051 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -6.486 -6.122 5.485 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -5.556 -4.639 5.399 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -8.826 -6.066 5.939 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -6.792 -2.453 4.997 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -10.810 -4.780 6.589 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -8.777 -1.164 5.647 1.00 0.00 H new ATOM 0 HZ PHE A 29 -10.792 -2.327 6.449 1.00 0.00 H new ATOM 443 N GLY A 30 -4.032 -5.166 2.826 1.00 0.00 N ATOM 444 CA GLY A 30 -2.706 -5.603 2.527 1.00 0.00 C ATOM 445 C GLY A 30 -1.753 -4.490 2.841 1.00 0.00 C ATOM 446 O GLY A 30 -2.192 -3.433 3.314 1.00 0.00 O ATOM 0 H GLY A 30 -4.156 -4.156 2.761 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -2.459 -6.489 3.112 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -2.628 -5.883 1.476 1.00 0.00 H new ATOM 450 N LEU A 31 -0.491 -4.683 2.585 1.00 0.00 N ATOM 451 CA LEU A 31 0.493 -3.659 2.867 1.00 0.00 C ATOM 452 C LEU A 31 1.072 -3.107 1.587 1.00 0.00 C ATOM 453 O LEU A 31 0.875 -3.676 0.495 1.00 0.00 O ATOM 454 CB LEU A 31 1.611 -4.183 3.779 1.00 0.00 C ATOM 455 CG LEU A 31 1.201 -4.586 5.202 1.00 0.00 C ATOM 456 CD1 LEU A 31 2.395 -5.131 5.967 1.00 0.00 C ATOM 457 CD2 LEU A 31 0.595 -3.400 5.944 1.00 0.00 C ATOM 0 H LEU A 31 -0.111 -5.539 2.181 1.00 0.00 H new ATOM 0 HA LEU A 31 -0.017 -2.854 3.396 1.00 0.00 H new ATOM 0 HB2 LEU A 31 2.067 -5.048 3.297 1.00 0.00 H new ATOM 0 HB3 LEU A 31 2.381 -3.415 3.850 1.00 0.00 H new ATOM 0 HG LEU A 31 0.447 -5.370 5.129 1.00 0.00 H new ATOM 0 HD11 LEU A 31 2.085 -5.411 6.974 1.00 0.00 H new ATOM 0 HD12 LEU A 31 2.789 -6.007 5.451 1.00 0.00 H new ATOM 0 HD13 LEU A 31 3.169 -4.366 6.026 1.00 0.00 H new ATOM 0 HD21 LEU A 31 0.311 -3.707 6.951 1.00 0.00 H new ATOM 0 HD22 LEU A 31 1.328 -2.595 6.003 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -0.288 -3.049 5.409 1.00 0.00 H new ATOM 469 N CYS A 32 1.739 -1.995 1.695 1.00 0.00 N ATOM 470 CA CYS A 32 2.357 -1.384 0.562 1.00 0.00 C ATOM 471 C CYS A 32 3.759 -1.892 0.364 1.00 0.00 C ATOM 472 O CYS A 32 4.523 -2.051 1.322 1.00 0.00 O ATOM 473 CB CYS A 32 2.363 0.124 0.695 1.00 0.00 C ATOM 474 SG CYS A 32 0.718 0.884 0.720 1.00 0.00 S ATOM 0 H CYS A 32 1.868 -1.489 2.571 1.00 0.00 H new ATOM 0 HA CYS A 32 1.768 -1.654 -0.315 1.00 0.00 H new ATOM 0 HB2 CYS A 32 2.887 0.393 1.612 1.00 0.00 H new ATOM 0 HB3 CYS A 32 2.932 0.547 -0.133 1.00 0.00 H new ATOM 479 N VAL A 33 4.074 -2.180 -0.856 1.00 0.00 N ATOM 480 CA VAL A 33 5.378 -2.606 -1.239 1.00 0.00 C ATOM 481 C VAL A 33 6.035 -1.468 -2.015 1.00 0.00 C ATOM 482 O VAL A 33 5.402 -0.866 -2.904 1.00 0.00 O ATOM 483 CB VAL A 33 5.336 -3.941 -2.067 1.00 0.00 C ATOM 484 CG1 VAL A 33 4.449 -3.835 -3.303 1.00 0.00 C ATOM 485 CG2 VAL A 33 6.734 -4.398 -2.450 1.00 0.00 C ATOM 0 H VAL A 33 3.415 -2.124 -1.632 1.00 0.00 H new ATOM 0 HA VAL A 33 5.970 -2.832 -0.352 1.00 0.00 H new ATOM 0 HB VAL A 33 4.892 -4.693 -1.415 1.00 0.00 H new ATOM 0 HG11 VAL A 33 4.456 -4.784 -3.838 1.00 0.00 H new ATOM 0 HG12 VAL A 33 3.429 -3.597 -3.000 1.00 0.00 H new ATOM 0 HG13 VAL A 33 4.827 -3.048 -3.956 1.00 0.00 H new ATOM 0 HG21 VAL A 33 6.670 -5.324 -3.022 1.00 0.00 H new ATOM 0 HG22 VAL A 33 7.215 -3.630 -3.056 1.00 0.00 H new ATOM 0 HG23 VAL A 33 7.321 -4.569 -1.548 1.00 0.00 H new ATOM 495 N PRO A 34 7.252 -1.081 -1.635 1.00 0.00 N ATOM 496 CA PRO A 34 7.956 0.001 -2.293 1.00 0.00 C ATOM 497 C PRO A 34 8.367 -0.373 -3.703 1.00 0.00 C ATOM 498 O PRO A 34 9.025 -1.396 -3.930 1.00 0.00 O ATOM 499 CB PRO A 34 9.187 0.237 -1.414 1.00 0.00 C ATOM 500 CG PRO A 34 9.399 -1.050 -0.695 1.00 0.00 C ATOM 501 CD PRO A 34 8.041 -1.661 -0.524 1.00 0.00 C ATOM 0 HA PRO A 34 7.332 0.889 -2.397 1.00 0.00 H new ATOM 0 HB2 PRO A 34 10.057 0.501 -2.015 1.00 0.00 H new ATOM 0 HB3 PRO A 34 9.022 1.057 -0.715 1.00 0.00 H new ATOM 0 HG2 PRO A 34 10.054 -1.710 -1.263 1.00 0.00 H new ATOM 0 HG3 PRO A 34 9.875 -0.883 0.271 1.00 0.00 H new ATOM 0 HD2 PRO A 34 8.081 -2.748 -0.586 1.00 0.00 H new ATOM 0 HD3 PRO A 34 7.610 -1.413 0.446 1.00 0.00 H new ATOM 509 N ASP A 35 7.950 0.420 -4.648 1.00 0.00 N ATOM 510 CA ASP A 35 8.313 0.200 -6.034 1.00 0.00 C ATOM 511 C ASP A 35 9.649 0.808 -6.252 1.00 0.00 C ATOM 512 O ASP A 35 10.499 0.278 -6.972 1.00 0.00 O ATOM 513 CB ASP A 35 7.311 0.854 -6.984 1.00 0.00 C ATOM 514 CG ASP A 35 5.926 0.306 -6.846 1.00 0.00 C ATOM 515 OD1 ASP A 35 5.673 -0.818 -7.331 1.00 0.00 O ATOM 516 OD2 ASP A 35 5.066 0.992 -6.269 1.00 0.00 O ATOM 0 H ASP A 35 7.354 1.232 -4.490 1.00 0.00 H new ATOM 0 HA ASP A 35 8.319 -0.871 -6.237 1.00 0.00 H new ATOM 0 HB2 ASP A 35 7.290 1.928 -6.798 1.00 0.00 H new ATOM 0 HB3 ASP A 35 7.649 0.715 -8.011 1.00 0.00 H new ATOM 521 N VAL A 36 9.834 1.909 -5.579 1.00 0.00 N ATOM 522 CA VAL A 36 11.031 2.666 -5.637 1.00 0.00 C ATOM 523 C VAL A 36 12.159 1.940 -4.922 1.00 0.00 C ATOM 524 O VAL A 36 13.171 1.649 -5.573 1.00 0.00 O ATOM 525 CB VAL A 36 10.834 4.117 -5.107 1.00 0.00 C ATOM 526 CG1 VAL A 36 9.879 4.870 -6.011 1.00 0.00 C ATOM 527 CG2 VAL A 36 10.309 4.137 -3.672 1.00 0.00 C ATOM 528 OXT VAL A 36 12.008 1.587 -3.724 1.00 0.00 O ATOM 0 H VAL A 36 9.129 2.308 -4.959 1.00 0.00 H new ATOM 0 HA VAL A 36 11.313 2.764 -6.685 1.00 0.00 H new ATOM 0 HB VAL A 36 11.810 4.603 -5.109 1.00 0.00 H new ATOM 0 HG11 VAL A 36 9.745 5.884 -5.635 1.00 0.00 H new ATOM 0 HG12 VAL A 36 10.288 4.908 -7.021 1.00 0.00 H new ATOM 0 HG13 VAL A 36 8.916 4.360 -6.029 1.00 0.00 H new ATOM 0 HG21 VAL A 36 10.187 5.169 -3.344 1.00 0.00 H new ATOM 0 HG22 VAL A 36 9.347 3.626 -3.629 1.00 0.00 H new ATOM 0 HG23 VAL A 36 11.018 3.630 -3.018 1.00 0.00 H new TER 538 VAL A 36