USER MOD reduce.3.24.130724 H: found=0, std=0, add=272, rem=0, adj=9 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+ 180:sc= 0 (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 150:sc= -0.395 (180deg=-1.8!) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 46:sc= 0.395 USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 23 THR OG1 : rot -120:sc= -2.17 USER MOD Single : A 28 GLN : amide:sc= -0.108 K(o=-0.11,f=-2.7!) 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 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -10.566 11.897 0.449 1.00 1.00 N ATOM 2 CA GLY A 1 -9.189 11.615 -0.038 1.00 1.00 C ATOM 3 C GLY A 1 -8.237 12.767 0.215 1.00 1.00 C ATOM 4 O GLY A 1 -7.992 13.138 1.362 1.00 1.00 O ATOM 0 H1 GLY A 1 -11.178 11.079 0.253 1.00 1.00 H new ATOM 0 H2 GLY A 1 -10.542 12.074 1.474 1.00 1.00 H new ATOM 0 H3 GLY A 1 -10.942 12.735 -0.038 1.00 1.00 H new ATOM 0 HA2 GLY A 1 -8.809 10.719 0.454 1.00 1.00 H new ATOM 0 HA3 GLY A 1 -9.221 11.402 -1.107 1.00 1.00 H new ATOM 10 N SER A 2 -7.700 13.334 -0.862 1.00 1.00 N ATOM 11 CA SER A 2 -6.769 14.453 -0.759 1.00 1.00 C ATOM 12 C SER A 2 -5.499 14.041 -0.016 1.00 1.00 C ATOM 13 O SER A 2 -4.472 13.761 -0.634 1.00 1.00 O ATOM 14 CB SER A 2 -7.432 15.637 -0.053 1.00 1.00 C ATOM 15 OG SER A 2 -8.462 16.195 -0.850 1.00 1.00 O ATOM 0 H SER A 2 -7.894 13.036 -1.818 1.00 1.00 H new ATOM 0 HA SER A 2 -6.492 14.755 -1.769 1.00 1.00 H new ATOM 0 HB2 SER A 2 -7.843 15.311 0.902 1.00 1.00 H new ATOM 0 HB3 SER A 2 -6.684 16.399 0.166 1.00 1.00 H new ATOM 0 HG SER A 2 -8.871 16.949 -0.376 1.00 1.00 H new ATOM 21 N LEU A 3 -5.576 14.007 1.311 1.00 1.00 N ATOM 22 CA LEU A 3 -4.433 13.630 2.133 1.00 1.00 C ATOM 23 C LEU A 3 -4.883 12.887 3.387 1.00 1.00 C ATOM 24 O LEU A 3 -6.076 12.654 3.587 1.00 1.00 O ATOM 25 CB LEU A 3 -3.625 14.870 2.521 1.00 1.00 C ATOM 26 CG LEU A 3 -4.430 15.980 3.202 1.00 1.00 C ATOM 27 CD1 LEU A 3 -4.094 16.054 4.684 1.00 1.00 C ATOM 28 CD2 LEU A 3 -4.170 17.320 2.529 1.00 1.00 C ATOM 0 H LEU A 3 -6.418 14.236 1.839 1.00 1.00 H new ATOM 0 HA LEU A 3 -3.801 12.963 1.547 1.00 1.00 H new ATOM 0 HB2 LEU A 3 -2.818 14.565 3.188 1.00 1.00 H new ATOM 0 HB3 LEU A 3 -3.160 15.278 1.623 1.00 1.00 H new ATOM 0 HG LEU A 3 -5.489 15.744 3.101 1.00 1.00 H new ATOM 0 HD11 LEU A 3 -4.676 16.849 5.150 1.00 1.00 H new ATOM 0 HD12 LEU A 3 -4.333 15.103 5.159 1.00 1.00 H new ATOM 0 HD13 LEU A 3 -3.031 16.264 4.806 1.00 1.00 H new ATOM 0 HD21 LEU A 3 -4.751 18.096 3.027 1.00 1.00 H new ATOM 0 HD22 LEU A 3 -3.109 17.561 2.596 1.00 1.00 H new ATOM 0 HD23 LEU A 3 -4.463 17.264 1.481 1.00 1.00 H new ATOM 40 N LEU A 4 -3.922 12.517 4.228 1.00 1.00 N ATOM 41 CA LEU A 4 -4.216 11.800 5.465 1.00 1.00 C ATOM 42 C LEU A 4 -4.739 10.397 5.170 1.00 1.00 C ATOM 43 O LEU A 4 -4.038 9.407 5.377 1.00 1.00 O ATOM 44 CB LEU A 4 -5.236 12.577 6.305 1.00 1.00 C ATOM 45 CG LEU A 4 -4.830 12.815 7.759 1.00 1.00 C ATOM 46 CD1 LEU A 4 -4.738 11.497 8.511 1.00 1.00 C ATOM 47 CD2 LEU A 4 -3.507 13.564 7.828 1.00 1.00 C ATOM 0 H LEU A 4 -2.931 12.702 4.075 1.00 1.00 H new ATOM 0 HA LEU A 4 -3.289 11.710 6.031 1.00 1.00 H new ATOM 0 HB2 LEU A 4 -5.414 13.542 5.831 1.00 1.00 H new ATOM 0 HB3 LEU A 4 -6.182 12.036 6.292 1.00 1.00 H new ATOM 0 HG LEU A 4 -5.597 13.427 8.234 1.00 1.00 H new ATOM 0 HD11 LEU A 4 -4.448 11.687 9.544 1.00 1.00 H new ATOM 0 HD12 LEU A 4 -5.707 10.999 8.492 1.00 1.00 H new ATOM 0 HD13 LEU A 4 -3.993 10.859 8.036 1.00 1.00 H new ATOM 0 HD21 LEU A 4 -3.234 13.725 8.871 1.00 1.00 H new ATOM 0 HD22 LEU A 4 -2.731 12.978 7.336 1.00 1.00 H new ATOM 0 HD23 LEU A 4 -3.607 14.527 7.327 1.00 1.00 H new ATOM 59 N LYS A 5 -5.975 10.321 4.687 1.00 1.00 N ATOM 60 CA LYS A 5 -6.591 9.039 4.364 1.00 1.00 C ATOM 61 C LYS A 5 -6.177 8.572 2.970 1.00 1.00 C ATOM 62 O LYS A 5 -5.877 9.386 2.098 1.00 1.00 O ATOM 63 CB LYS A 5 -8.116 9.146 4.453 1.00 1.00 C ATOM 64 CG LYS A 5 -8.737 8.176 5.447 1.00 1.00 C ATOM 65 CD LYS A 5 -9.876 7.386 4.821 1.00 1.00 C ATOM 66 CE LYS A 5 -10.678 6.637 5.874 1.00 1.00 C ATOM 67 NZ LYS A 5 -11.938 7.349 6.224 1.00 1.00 N ATOM 0 H LYS A 5 -6.569 11.131 4.511 1.00 1.00 H new ATOM 0 HA LYS A 5 -6.245 8.303 5.089 1.00 1.00 H new ATOM 0 HB2 LYS A 5 -8.385 10.164 4.735 1.00 1.00 H new ATOM 0 HB3 LYS A 5 -8.543 8.965 3.466 1.00 1.00 H new ATOM 0 HG2 LYS A 5 -7.973 7.488 5.811 1.00 1.00 H new ATOM 0 HG3 LYS A 5 -9.108 8.727 6.311 1.00 1.00 H new ATOM 0 HD2 LYS A 5 -10.533 8.063 4.275 1.00 1.00 H new ATOM 0 HD3 LYS A 5 -9.474 6.678 4.096 1.00 1.00 H new ATOM 0 HE2 LYS A 5 -10.915 5.638 5.507 1.00 1.00 H new ATOM 0 HE3 LYS A 5 -10.071 6.511 6.771 1.00 1.00 H new ATOM 0 HZ1 LYS A 5 -12.455 6.806 6.945 1.00 1.00 H new ATOM 0 HZ2 LYS A 5 -11.711 8.292 6.598 1.00 1.00 H new ATOM 0 HZ3 LYS A 5 -12.529 7.447 5.374 1.00 1.00 H new ATOM 81 N PRO A 6 -6.155 7.246 2.743 1.00 1.00 N ATOM 82 CA PRO A 6 -5.776 6.673 1.447 1.00 1.00 C ATOM 83 C PRO A 6 -6.829 6.926 0.374 1.00 1.00 C ATOM 84 O PRO A 6 -7.993 6.558 0.532 1.00 1.00 O ATOM 85 CB PRO A 6 -5.660 5.177 1.740 1.00 1.00 C ATOM 86 CG PRO A 6 -6.560 4.949 2.905 1.00 1.00 C ATOM 87 CD PRO A 6 -6.499 6.204 3.730 1.00 1.00 C ATOM 0 HA PRO A 6 -4.859 7.116 1.057 1.00 1.00 H new ATOM 0 HB2 PRO A 6 -5.966 4.580 0.881 1.00 1.00 H new ATOM 0 HB3 PRO A 6 -4.632 4.898 1.973 1.00 1.00 H new ATOM 0 HG2 PRO A 6 -7.580 4.748 2.576 1.00 1.00 H new ATOM 0 HG3 PRO A 6 -6.236 4.085 3.485 1.00 1.00 H new ATOM 0 HD2 PRO A 6 -7.452 6.411 4.217 1.00 1.00 H new ATOM 0 HD3 PRO A 6 -5.748 6.132 4.516 1.00 1.00 H new ATOM 95 N ALA A 7 -6.413 7.557 -0.719 1.00 1.00 N ATOM 96 CA ALA A 7 -7.320 7.860 -1.819 1.00 1.00 C ATOM 97 C ALA A 7 -7.266 6.776 -2.889 1.00 1.00 C ATOM 98 O ALA A 7 -8.295 6.224 -3.280 1.00 1.00 O ATOM 99 CB ALA A 7 -6.984 9.216 -2.421 1.00 1.00 C ATOM 0 H ALA A 7 -5.453 7.868 -0.866 1.00 1.00 H new ATOM 0 HA ALA A 7 -8.335 7.892 -1.423 1.00 1.00 H new ATOM 0 HB1 ALA A 7 -7.669 9.430 -3.241 1.00 1.00 H new ATOM 0 HB2 ALA A 7 -7.081 9.987 -1.657 1.00 1.00 H new ATOM 0 HB3 ALA A 7 -5.961 9.204 -2.797 1.00 1.00 H new ATOM 105 N ARG A 8 -6.060 6.477 -3.361 1.00 1.00 N ATOM 106 CA ARG A 8 -5.873 5.458 -4.389 1.00 1.00 C ATOM 107 C ARG A 8 -5.163 4.234 -3.818 1.00 1.00 C ATOM 108 O ARG A 8 -4.693 4.250 -2.680 1.00 1.00 O ATOM 109 CB ARG A 8 -5.073 6.031 -5.562 1.00 1.00 C ATOM 110 CG ARG A 8 -5.737 5.814 -6.912 1.00 1.00 C ATOM 111 CD ARG A 8 -4.986 6.529 -8.022 1.00 1.00 C ATOM 112 NE ARG A 8 -3.614 6.045 -8.155 1.00 1.00 N ATOM 113 CZ ARG A 8 -2.648 6.716 -8.778 1.00 1.00 C ATOM 114 NH1 ARG A 8 -2.899 7.898 -9.328 1.00 1.00 N ATOM 115 NH2 ARG A 8 -1.426 6.204 -8.851 1.00 1.00 N ATOM 0 H ARG A 8 -5.198 6.925 -3.049 1.00 1.00 H new ATOM 0 HA ARG A 8 -6.855 5.149 -4.746 1.00 1.00 H new ATOM 0 HB2 ARG A 8 -4.928 7.100 -5.405 1.00 1.00 H new ATOM 0 HB3 ARG A 8 -4.084 5.574 -5.575 1.00 1.00 H new ATOM 0 HG2 ARG A 8 -5.781 4.747 -7.130 1.00 1.00 H new ATOM 0 HG3 ARG A 8 -6.765 6.175 -6.875 1.00 1.00 H new ATOM 0 HD2 ARG A 8 -5.513 6.388 -8.966 1.00 1.00 H new ATOM 0 HD3 ARG A 8 -4.975 7.600 -7.820 1.00 1.00 H new ATOM 0 HE ARG A 8 -3.383 5.140 -7.746 1.00 1.00 H new ATOM 0 HH11 ARG A 8 -3.836 8.297 -9.274 1.00 1.00 H new ATOM 0 HH12 ARG A 8 -2.155 8.407 -9.804 1.00 1.00 H new ATOM 0 HH21 ARG A 8 -1.227 5.297 -8.430 1.00 1.00 H new ATOM 0 HH22 ARG A 8 -0.685 6.718 -9.328 1.00 1.00 H new ATOM 129 N PHE A 9 -5.092 3.174 -4.616 1.00 1.00 N ATOM 130 CA PHE A 9 -4.441 1.938 -4.192 1.00 1.00 C ATOM 131 C PHE A 9 -3.559 1.378 -5.303 1.00 1.00 C ATOM 132 O PHE A 9 -4.043 0.709 -6.217 1.00 1.00 O ATOM 133 CB PHE A 9 -5.485 0.897 -3.778 1.00 1.00 C ATOM 134 CG PHE A 9 -6.748 0.948 -4.592 1.00 1.00 C ATOM 135 CD1 PHE A 9 -6.854 0.242 -5.780 1.00 1.00 C ATOM 136 CD2 PHE A 9 -7.830 1.705 -4.168 1.00 1.00 C ATOM 137 CE1 PHE A 9 -8.015 0.289 -6.529 1.00 1.00 C ATOM 138 CE2 PHE A 9 -8.992 1.755 -4.912 1.00 1.00 C ATOM 139 CZ PHE A 9 -9.085 1.047 -6.095 1.00 1.00 C ATOM 0 H PHE A 9 -5.477 3.145 -5.560 1.00 1.00 H new ATOM 0 HA PHE A 9 -3.811 2.168 -3.333 1.00 1.00 H new ATOM 0 HB2 PHE A 9 -5.047 -0.097 -3.865 1.00 1.00 H new ATOM 0 HB3 PHE A 9 -5.735 1.044 -2.727 1.00 1.00 H new ATOM 0 HD1 PHE A 9 -6.020 -0.352 -6.124 1.00 1.00 H new ATOM 0 HD2 PHE A 9 -7.763 2.262 -3.245 1.00 1.00 H new ATOM 0 HE1 PHE A 9 -8.085 -0.266 -7.453 1.00 1.00 H new ATOM 0 HE2 PHE A 9 -9.828 2.347 -4.570 1.00 1.00 H new ATOM 0 HZ PHE A 9 -9.993 1.086 -6.679 1.00 1.00 H new ATOM 149 N MET A 10 -2.262 1.655 -5.217 1.00 1.00 N ATOM 150 CA MET A 10 -1.311 1.178 -6.214 1.00 1.00 C ATOM 151 C MET A 10 0.121 1.309 -5.703 1.00 1.00 C ATOM 152 O MET A 10 0.566 2.400 -5.346 1.00 1.00 O ATOM 153 CB MET A 10 -1.475 1.957 -7.520 1.00 1.00 C ATOM 154 CG MET A 10 -1.442 1.079 -8.761 1.00 1.00 C ATOM 155 SD MET A 10 0.198 0.995 -9.507 1.00 1.00 S ATOM 156 CE MET A 10 -0.183 0.214 -11.073 1.00 1.00 C ATOM 0 H MET A 10 -1.846 2.207 -4.467 1.00 1.00 H new ATOM 0 HA MET A 10 -1.515 0.124 -6.402 1.00 1.00 H new ATOM 0 HB2 MET A 10 -2.420 2.499 -7.494 1.00 1.00 H new ATOM 0 HB3 MET A 10 -0.682 2.702 -7.591 1.00 1.00 H new ATOM 0 HG2 MET A 10 -1.770 0.073 -8.499 1.00 1.00 H new ATOM 0 HG3 MET A 10 -2.151 1.465 -9.493 1.00 1.00 H new ATOM 0 HE1 MET A 10 0.527 0.550 -11.829 1.00 1.00 H new ATOM 0 HE2 MET A 10 -0.114 -0.869 -10.966 1.00 1.00 H new ATOM 0 HE3 MET A 10 -1.194 0.485 -11.378 1.00 1.00 H new ATOM 166 N CYS A 11 0.837 0.190 -5.671 1.00 1.00 N ATOM 167 CA CYS A 11 2.218 0.179 -5.205 1.00 1.00 C ATOM 168 C CYS A 11 3.182 0.450 -6.355 1.00 1.00 C ATOM 169 O CYS A 11 3.656 -0.475 -7.015 1.00 1.00 O ATOM 170 CB CYS A 11 2.549 -1.163 -4.550 1.00 1.00 C ATOM 171 SG CYS A 11 3.901 -1.082 -3.332 1.00 1.00 S ATOM 0 H CYS A 11 0.483 -0.721 -5.962 1.00 1.00 H new ATOM 0 HA CYS A 11 2.331 0.972 -4.465 1.00 1.00 H new ATOM 0 HB2 CYS A 11 1.654 -1.546 -4.059 1.00 1.00 H new ATOM 0 HB3 CYS A 11 2.817 -1.878 -5.327 1.00 1.00 H new ATOM 176 N LEU A 12 3.463 1.726 -6.586 1.00 1.00 N ATOM 177 CA LEU A 12 4.368 2.138 -7.656 1.00 1.00 C ATOM 178 C LEU A 12 5.787 1.603 -7.440 1.00 1.00 C ATOM 179 O LEU A 12 6.415 1.113 -8.379 1.00 1.00 O ATOM 180 CB LEU A 12 4.402 3.665 -7.767 1.00 1.00 C ATOM 181 CG LEU A 12 3.074 4.372 -7.480 1.00 1.00 C ATOM 182 CD1 LEU A 12 3.084 4.985 -6.087 1.00 1.00 C ATOM 183 CD2 LEU A 12 2.795 5.437 -8.530 1.00 1.00 C ATOM 0 H LEU A 12 3.076 2.499 -6.044 1.00 1.00 H new ATOM 0 HA LEU A 12 3.987 1.714 -8.585 1.00 1.00 H new ATOM 0 HB2 LEU A 12 5.154 4.046 -7.077 1.00 1.00 H new ATOM 0 HB3 LEU A 12 4.727 3.933 -8.772 1.00 1.00 H new ATOM 0 HG LEU A 12 2.276 3.631 -7.524 1.00 1.00 H new ATOM 0 HD11 LEU A 12 2.132 5.483 -5.902 1.00 1.00 H new ATOM 0 HD12 LEU A 12 3.234 4.200 -5.345 1.00 1.00 H new ATOM 0 HD13 LEU A 12 3.893 5.712 -6.015 1.00 1.00 H new ATOM 0 HD21 LEU A 12 1.847 5.927 -8.308 1.00 1.00 H new ATOM 0 HD22 LEU A 12 3.597 6.176 -8.521 1.00 1.00 H new ATOM 0 HD23 LEU A 12 2.741 4.972 -9.514 1.00 1.00 H new ATOM 195 N PRO A 13 6.322 1.698 -6.204 1.00 1.00 N ATOM 196 CA PRO A 13 7.677 1.232 -5.886 1.00 1.00 C ATOM 197 C PRO A 13 8.045 -0.081 -6.574 1.00 1.00 C ATOM 198 O PRO A 13 9.183 -0.264 -7.008 1.00 1.00 O ATOM 199 CB PRO A 13 7.618 1.052 -4.373 1.00 1.00 C ATOM 200 CG PRO A 13 6.680 2.117 -3.918 1.00 1.00 C ATOM 201 CD PRO A 13 5.659 2.279 -5.017 1.00 1.00 C ATOM 0 HA PRO A 13 8.440 1.931 -6.230 1.00 1.00 H new ATOM 0 HB2 PRO A 13 7.256 0.060 -4.103 1.00 1.00 H new ATOM 0 HB3 PRO A 13 8.602 1.167 -3.919 1.00 1.00 H new ATOM 0 HG2 PRO A 13 6.201 1.838 -2.980 1.00 1.00 H new ATOM 0 HG3 PRO A 13 7.211 3.052 -3.739 1.00 1.00 H new ATOM 0 HD2 PRO A 13 4.732 1.757 -4.781 1.00 1.00 H new ATOM 0 HD3 PRO A 13 5.404 3.327 -5.174 1.00 1.00 H new ATOM 209 N CYS A 14 7.083 -0.993 -6.675 1.00 1.00 N ATOM 210 CA CYS A 14 7.311 -2.274 -7.308 1.00 1.00 C ATOM 211 C CYS A 14 6.458 -2.400 -8.563 1.00 1.00 C ATOM 212 O CYS A 14 6.834 -3.080 -9.518 1.00 1.00 O ATOM 213 CB CYS A 14 6.977 -3.396 -6.333 1.00 1.00 C ATOM 214 SG CYS A 14 5.228 -3.455 -5.832 1.00 1.00 S ATOM 0 H CYS A 14 6.135 -0.861 -6.322 1.00 1.00 H new ATOM 0 HA CYS A 14 8.361 -2.348 -7.592 1.00 1.00 H new ATOM 0 HB2 CYS A 14 7.245 -4.349 -6.788 1.00 1.00 H new ATOM 0 HB3 CYS A 14 7.595 -3.284 -5.442 1.00 1.00 H new ATOM 219 N GLY A 15 5.311 -1.729 -8.556 1.00 1.00 N ATOM 220 CA GLY A 15 4.428 -1.764 -9.692 1.00 1.00 C ATOM 221 C GLY A 15 3.431 -2.904 -9.631 1.00 1.00 C ATOM 222 O GLY A 15 3.507 -3.848 -10.417 1.00 1.00 O ATOM 0 H GLY A 15 4.982 -1.160 -7.776 1.00 1.00 H new ATOM 0 HA2 GLY A 15 3.888 -0.819 -9.755 1.00 1.00 H new ATOM 0 HA3 GLY A 15 5.020 -1.854 -10.603 1.00 1.00 H new ATOM 226 N ILE A 16 2.491 -2.813 -8.695 1.00 1.00 N ATOM 227 CA ILE A 16 1.467 -3.839 -8.533 1.00 1.00 C ATOM 228 C ILE A 16 0.185 -3.245 -7.961 1.00 1.00 C ATOM 229 O ILE A 16 0.123 -2.896 -6.782 1.00 1.00 O ATOM 230 CB ILE A 16 1.947 -4.978 -7.611 1.00 1.00 C ATOM 231 CG1 ILE A 16 3.353 -5.433 -8.010 1.00 1.00 C ATOM 232 CG2 ILE A 16 0.972 -6.145 -7.663 1.00 1.00 C ATOM 233 CD1 ILE A 16 3.893 -6.555 -7.151 1.00 1.00 C ATOM 0 H ILE A 16 2.418 -2.038 -8.036 1.00 1.00 H new ATOM 0 HA ILE A 16 1.269 -4.247 -9.524 1.00 1.00 H new ATOM 0 HB ILE A 16 1.985 -4.605 -6.588 1.00 1.00 H new ATOM 0 HG12 ILE A 16 3.339 -5.758 -9.050 1.00 1.00 H new ATOM 0 HG13 ILE A 16 4.032 -4.582 -7.951 1.00 1.00 H new ATOM 0 HG21 ILE A 16 1.323 -6.942 -7.008 1.00 1.00 H new ATOM 0 HG22 ILE A 16 -0.012 -5.812 -7.334 1.00 1.00 H new ATOM 0 HG23 ILE A 16 0.906 -6.518 -8.685 1.00 1.00 H new ATOM 0 HD11 ILE A 16 4.893 -6.825 -7.492 1.00 1.00 H new ATOM 0 HD12 ILE A 16 3.940 -6.228 -6.112 1.00 1.00 H new ATOM 0 HD13 ILE A 16 3.236 -7.422 -7.229 1.00 1.00 H new ATOM 245 N ALA A 17 -0.836 -3.128 -8.805 1.00 1.00 N ATOM 246 CA ALA A 17 -2.116 -2.572 -8.382 1.00 1.00 C ATOM 247 C ALA A 17 -2.999 -3.641 -7.746 1.00 1.00 C ATOM 248 O ALA A 17 -3.449 -4.569 -8.417 1.00 1.00 O ATOM 249 CB ALA A 17 -2.828 -1.931 -9.564 1.00 1.00 C ATOM 0 H ALA A 17 -0.801 -3.411 -9.784 1.00 1.00 H new ATOM 0 HA ALA A 17 -1.920 -1.808 -7.630 1.00 1.00 H new ATOM 0 HB1 ALA A 17 -3.782 -1.520 -9.235 1.00 1.00 H new ATOM 0 HB2 ALA A 17 -2.209 -1.131 -9.971 1.00 1.00 H new ATOM 0 HB3 ALA A 17 -3.003 -2.682 -10.334 1.00 1.00 H new ATOM 255 N PHE A 18 -3.239 -3.503 -6.446 1.00 1.00 N ATOM 256 CA PHE A 18 -4.061 -4.449 -5.713 1.00 1.00 C ATOM 257 C PHE A 18 -5.533 -4.050 -5.772 1.00 1.00 C ATOM 258 O PHE A 18 -5.865 -2.865 -5.798 1.00 1.00 O ATOM 259 CB PHE A 18 -3.588 -4.512 -4.266 1.00 1.00 C ATOM 260 CG PHE A 18 -2.562 -5.579 -4.013 1.00 1.00 C ATOM 261 CD1 PHE A 18 -1.222 -5.340 -4.272 1.00 1.00 C ATOM 262 CD2 PHE A 18 -2.936 -6.817 -3.515 1.00 1.00 C ATOM 263 CE1 PHE A 18 -0.273 -6.317 -4.040 1.00 1.00 C ATOM 264 CE2 PHE A 18 -1.990 -7.798 -3.282 1.00 1.00 C ATOM 265 CZ PHE A 18 -0.657 -7.547 -3.544 1.00 1.00 C ATOM 0 H PHE A 18 -2.872 -2.739 -5.879 1.00 1.00 H new ATOM 0 HA PHE A 18 -3.962 -5.433 -6.171 1.00 1.00 H new ATOM 0 HB2 PHE A 18 -3.170 -3.545 -3.987 1.00 1.00 H new ATOM 0 HB3 PHE A 18 -4.448 -4.686 -3.619 1.00 1.00 H new ATOM 0 HD1 PHE A 18 -0.916 -4.379 -4.659 1.00 1.00 H new ATOM 0 HD2 PHE A 18 -3.977 -7.017 -3.307 1.00 1.00 H new ATOM 0 HE1 PHE A 18 0.768 -6.119 -4.246 1.00 1.00 H new ATOM 0 HE2 PHE A 18 -2.293 -8.760 -2.895 1.00 1.00 H new ATOM 0 HZ PHE A 18 0.083 -8.312 -3.361 1.00 1.00 H new ATOM 275 N SER A 19 -6.410 -5.048 -5.805 1.00 1.00 N ATOM 276 CA SER A 19 -7.849 -4.805 -5.875 1.00 1.00 C ATOM 277 C SER A 19 -8.472 -4.590 -4.494 1.00 1.00 C ATOM 278 O SER A 19 -9.670 -4.811 -4.316 1.00 1.00 O ATOM 279 CB SER A 19 -8.543 -5.973 -6.577 1.00 1.00 C ATOM 280 OG SER A 19 -8.613 -5.759 -7.977 1.00 1.00 O ATOM 0 H SER A 19 -6.150 -6.034 -5.784 1.00 1.00 H new ATOM 0 HA SER A 19 -7.993 -3.888 -6.446 1.00 1.00 H new ATOM 0 HB2 SER A 19 -8.001 -6.897 -6.374 1.00 1.00 H new ATOM 0 HB3 SER A 19 -9.548 -6.098 -6.174 1.00 1.00 H new ATOM 0 HG SER A 19 -9.059 -6.521 -8.402 1.00 1.00 H new ATOM 286 N SER A 20 -7.675 -4.160 -3.518 1.00 1.00 N ATOM 287 CA SER A 20 -8.195 -3.928 -2.175 1.00 1.00 C ATOM 288 C SER A 20 -7.222 -3.106 -1.325 1.00 1.00 C ATOM 289 O SER A 20 -6.006 -3.214 -1.479 1.00 1.00 O ATOM 290 CB SER A 20 -8.496 -5.260 -1.485 1.00 1.00 C ATOM 291 OG SER A 20 -9.882 -5.550 -1.520 1.00 1.00 O ATOM 0 H SER A 20 -6.680 -3.968 -3.630 1.00 1.00 H new ATOM 0 HA SER A 20 -9.118 -3.356 -2.274 1.00 1.00 H new ATOM 0 HB2 SER A 20 -7.941 -6.060 -1.975 1.00 1.00 H new ATOM 0 HB3 SER A 20 -8.155 -5.223 -0.450 1.00 1.00 H new ATOM 0 HG SER A 20 -10.229 -5.382 -2.421 1.00 1.00 H new ATOM 297 N PRO A 21 -7.753 -2.271 -0.408 1.00 1.00 N ATOM 298 CA PRO A 21 -6.936 -1.430 0.474 1.00 1.00 C ATOM 299 C PRO A 21 -6.233 -2.241 1.558 1.00 1.00 C ATOM 300 O PRO A 21 -5.039 -2.069 1.802 1.00 1.00 O ATOM 301 CB PRO A 21 -7.947 -0.461 1.109 1.00 1.00 C ATOM 302 CG PRO A 21 -9.233 -0.674 0.378 1.00 1.00 C ATOM 303 CD PRO A 21 -9.186 -2.076 -0.154 1.00 1.00 C ATOM 0 HA PRO A 21 -6.141 -0.929 -0.078 1.00 1.00 H new ATOM 0 HB2 PRO A 21 -8.065 -0.662 2.174 1.00 1.00 H new ATOM 0 HB3 PRO A 21 -7.611 0.572 1.015 1.00 1.00 H new ATOM 0 HG2 PRO A 21 -10.086 -0.539 1.043 1.00 1.00 H new ATOM 0 HG3 PRO A 21 -9.344 0.046 -0.433 1.00 1.00 H new ATOM 0 HD2 PRO A 21 -9.572 -2.797 0.567 1.00 1.00 H new ATOM 0 HD3 PRO A 21 -9.778 -2.185 -1.063 1.00 1.00 H new ATOM 311 N SER A 22 -6.980 -3.128 2.208 1.00 1.00 N ATOM 312 CA SER A 22 -6.424 -3.966 3.265 1.00 1.00 C ATOM 313 C SER A 22 -5.266 -4.800 2.734 1.00 1.00 C ATOM 314 O SER A 22 -4.309 -5.080 3.456 1.00 1.00 O ATOM 315 CB SER A 22 -7.505 -4.879 3.846 1.00 1.00 C ATOM 316 OG SER A 22 -7.367 -5.005 5.251 1.00 1.00 O ATOM 0 H SER A 22 -7.970 -3.285 2.022 1.00 1.00 H new ATOM 0 HA SER A 22 -6.051 -3.316 4.056 1.00 1.00 H new ATOM 0 HB2 SER A 22 -8.490 -4.477 3.609 1.00 1.00 H new ATOM 0 HB3 SER A 22 -7.442 -5.863 3.382 1.00 1.00 H new ATOM 0 HG SER A 22 -8.071 -5.592 5.597 1.00 1.00 H new ATOM 322 N THR A 23 -5.353 -5.185 1.465 1.00 1.00 N ATOM 323 CA THR A 23 -4.303 -5.978 0.842 1.00 1.00 C ATOM 324 C THR A 23 -3.013 -5.176 0.765 1.00 1.00 C ATOM 325 O THR A 23 -1.920 -5.718 0.928 1.00 1.00 O ATOM 326 CB THR A 23 -4.729 -6.435 -0.555 1.00 1.00 C ATOM 327 OG1 THR A 23 -6.137 -6.378 -0.693 1.00 1.00 O ATOM 328 CG2 THR A 23 -4.292 -7.847 -0.880 1.00 1.00 C ATOM 0 H THR A 23 -6.137 -4.961 0.851 1.00 1.00 H new ATOM 0 HA THR A 23 -4.130 -6.863 1.455 1.00 1.00 H new ATOM 0 HB THR A 23 -4.237 -5.751 -1.247 1.00 1.00 H new ATOM 0 HG1 THR A 23 -6.482 -7.272 -0.897 1.00 1.00 H new ATOM 0 HG21 THR A 23 -4.625 -8.109 -1.884 1.00 1.00 H new ATOM 0 HG22 THR A 23 -3.205 -7.912 -0.830 1.00 1.00 H new ATOM 0 HG23 THR A 23 -4.730 -8.538 -0.160 1.00 1.00 H new ATOM 336 N LEU A 24 -3.149 -3.874 0.534 1.00 1.00 N ATOM 337 CA LEU A 24 -1.998 -2.993 0.458 1.00 1.00 C ATOM 338 C LEU A 24 -1.240 -3.030 1.771 1.00 1.00 C ATOM 339 O LEU A 24 -0.014 -3.127 1.798 1.00 1.00 O ATOM 340 CB LEU A 24 -2.432 -1.559 0.153 1.00 1.00 C ATOM 341 CG LEU A 24 -3.633 -1.417 -0.781 1.00 1.00 C ATOM 342 CD1 LEU A 24 -3.876 0.045 -1.118 1.00 1.00 C ATOM 343 CD2 LEU A 24 -3.420 -2.229 -2.048 1.00 1.00 C ATOM 0 H LEU A 24 -4.047 -3.409 0.397 1.00 1.00 H new ATOM 0 HA LEU A 24 -1.350 -3.337 -0.349 1.00 1.00 H new ATOM 0 HB2 LEU A 24 -2.666 -1.061 1.094 1.00 1.00 H new ATOM 0 HB3 LEU A 24 -1.588 -1.029 -0.287 1.00 1.00 H new ATOM 0 HG LEU A 24 -4.515 -1.802 -0.270 1.00 1.00 H new ATOM 0 HD11 LEU A 24 -4.735 0.127 -1.784 1.00 1.00 H new ATOM 0 HD12 LEU A 24 -4.073 0.602 -0.202 1.00 1.00 H new ATOM 0 HD13 LEU A 24 -2.995 0.456 -1.610 1.00 1.00 H new ATOM 0 HD21 LEU A 24 -4.285 -2.117 -2.702 1.00 1.00 H new ATOM 0 HD22 LEU A 24 -2.527 -1.873 -2.562 1.00 1.00 H new ATOM 0 HD23 LEU A 24 -3.295 -3.280 -1.790 1.00 1.00 H new ATOM 355 N GLU A 25 -1.992 -2.964 2.858 1.00 1.00 N ATOM 356 CA GLU A 25 -1.406 -3.004 4.187 1.00 1.00 C ATOM 357 C GLU A 25 -0.697 -4.331 4.406 1.00 1.00 C ATOM 358 O GLU A 25 0.296 -4.408 5.129 1.00 1.00 O ATOM 359 CB GLU A 25 -2.487 -2.792 5.251 1.00 1.00 C ATOM 360 CG GLU A 25 -2.001 -2.019 6.467 1.00 1.00 C ATOM 361 CD GLU A 25 -2.333 -2.715 7.772 1.00 1.00 C ATOM 362 OE1 GLU A 25 -1.995 -3.909 7.910 1.00 1.00 O ATOM 363 OE2 GLU A 25 -2.931 -2.066 8.656 1.00 1.00 O ATOM 0 H GLU A 25 -3.009 -2.883 2.846 1.00 1.00 H new ATOM 0 HA GLU A 25 -0.675 -2.200 4.273 1.00 1.00 H new ATOM 0 HB2 GLU A 25 -3.326 -2.259 4.803 1.00 1.00 H new ATOM 0 HB3 GLU A 25 -2.862 -3.763 5.574 1.00 1.00 H new ATOM 0 HG2 GLU A 25 -0.922 -1.881 6.398 1.00 1.00 H new ATOM 0 HG3 GLU A 25 -2.450 -1.026 6.465 1.00 1.00 H new ATOM 370 N ALA A 26 -1.207 -5.370 3.761 1.00 1.00 N ATOM 371 CA ALA A 26 -0.626 -6.688 3.858 1.00 1.00 C ATOM 372 C ALA A 26 0.647 -6.760 3.032 1.00 1.00 C ATOM 373 O ALA A 26 1.613 -7.427 3.401 1.00 1.00 O ATOM 374 CB ALA A 26 -1.621 -7.748 3.410 1.00 1.00 C ATOM 0 H ALA A 26 -2.030 -5.317 3.161 1.00 1.00 H new ATOM 0 HA ALA A 26 -0.374 -6.882 4.901 1.00 1.00 H new ATOM 0 HB1 ALA A 26 -1.163 -8.734 3.491 1.00 1.00 H new ATOM 0 HB2 ALA A 26 -2.507 -7.706 4.043 1.00 1.00 H new ATOM 0 HB3 ALA A 26 -1.907 -7.564 2.374 1.00 1.00 H new ATOM 380 N HIS A 27 0.635 -6.047 1.912 1.00 1.00 N ATOM 381 CA HIS A 27 1.779 -5.993 1.017 1.00 1.00 C ATOM 382 C HIS A 27 2.855 -5.106 1.622 1.00 1.00 C ATOM 383 O HIS A 27 4.019 -5.493 1.725 1.00 1.00 O ATOM 384 CB HIS A 27 1.337 -5.457 -0.345 1.00 1.00 C ATOM 385 CG HIS A 27 2.450 -5.288 -1.329 1.00 1.00 C ATOM 386 ND1 HIS A 27 3.070 -6.330 -1.980 1.00 1.00 N ATOM 387 CD2 HIS A 27 3.039 -4.157 -1.787 1.00 1.00 C ATOM 388 CE1 HIS A 27 3.997 -5.811 -2.796 1.00 1.00 C ATOM 389 NE2 HIS A 27 4.017 -4.494 -2.716 1.00 1.00 N ATOM 0 H HIS A 27 -0.164 -5.494 1.602 1.00 1.00 H new ATOM 0 HA HIS A 27 2.190 -6.993 0.880 1.00 1.00 H new ATOM 0 HB2 HIS A 27 0.595 -6.135 -0.766 1.00 1.00 H new ATOM 0 HB3 HIS A 27 0.845 -4.495 -0.202 1.00 1.00 H new ATOM 0 HD1 HIS A 27 2.861 -7.321 -1.862 1.00 1.00 H new ATOM 0 HD2 HIS A 27 2.788 -3.153 -1.479 1.00 1.00 H new ATOM 0 HE1 HIS A 27 4.643 -6.394 -3.435 1.00 1.00 H new ATOM 397 N GLN A 28 2.442 -3.922 2.047 1.00 1.00 N ATOM 398 CA GLN A 28 3.352 -2.979 2.677 1.00 1.00 C ATOM 399 C GLN A 28 3.798 -3.506 4.041 1.00 1.00 C ATOM 400 O GLN A 28 4.736 -2.983 4.643 1.00 1.00 O ATOM 401 CB GLN A 28 2.668 -1.619 2.838 1.00 1.00 C ATOM 402 CG GLN A 28 3.296 -0.520 2.000 1.00 1.00 C ATOM 403 CD GLN A 28 4.461 0.155 2.698 1.00 1.00 C ATOM 404 OE1 GLN A 28 4.672 -0.031 3.897 1.00 1.00 O ATOM 405 NE2 GLN A 28 5.225 0.943 1.950 1.00 1.00 N ATOM 0 H GLN A 28 1.481 -3.591 1.967 1.00 1.00 H new ATOM 0 HA GLN A 28 4.230 -2.861 2.042 1.00 1.00 H new ATOM 0 HB2 GLN A 28 1.617 -1.716 2.566 1.00 1.00 H new ATOM 0 HB3 GLN A 28 2.700 -1.327 3.888 1.00 1.00 H new ATOM 0 HG2 GLN A 28 3.638 -0.940 1.054 1.00 1.00 H new ATOM 0 HG3 GLN A 28 2.539 0.227 1.761 1.00 1.00 H new ATOM 0 HE21 GLN A 28 5.013 1.068 0.960 1.00 1.00 H new ATOM 0 HE22 GLN A 28 6.024 1.423 2.365 1.00 1.00 H new ATOM 414 N ALA A 29 3.107 -4.538 4.529 1.00 1.00 N ATOM 415 CA ALA A 29 3.418 -5.128 5.823 1.00 1.00 C ATOM 416 C ALA A 29 4.666 -6.005 5.773 1.00 1.00 C ATOM 417 O ALA A 29 5.589 -5.820 6.568 1.00 1.00 O ATOM 418 CB ALA A 29 2.231 -5.935 6.327 1.00 1.00 C ATOM 0 H ALA A 29 2.327 -4.980 4.043 1.00 1.00 H new ATOM 0 HA ALA A 29 3.624 -4.310 6.513 1.00 1.00 H new ATOM 0 HB1 ALA A 29 2.473 -6.372 7.296 1.00 1.00 H new ATOM 0 HB2 ALA A 29 1.365 -5.282 6.430 1.00 1.00 H new ATOM 0 HB3 ALA A 29 2.003 -6.730 5.617 1.00 1.00 H new ATOM 424 N TYR A 30 4.691 -6.978 4.863 1.00 1.00 N ATOM 425 CA TYR A 30 5.834 -7.881 4.769 1.00 1.00 C ATOM 426 C TYR A 30 6.182 -8.267 3.329 1.00 1.00 C ATOM 427 O TYR A 30 7.004 -9.158 3.115 1.00 1.00 O ATOM 428 CB TYR A 30 5.559 -9.143 5.584 1.00 1.00 C ATOM 429 CG TYR A 30 5.984 -9.035 7.031 1.00 1.00 C ATOM 430 CD1 TYR A 30 7.264 -9.398 7.429 1.00 1.00 C ATOM 431 CD2 TYR A 30 5.104 -8.569 7.999 1.00 1.00 C ATOM 432 CE1 TYR A 30 7.655 -9.301 8.751 1.00 1.00 C ATOM 433 CE2 TYR A 30 5.486 -8.468 9.323 1.00 1.00 C ATOM 434 CZ TYR A 30 6.762 -8.835 9.694 1.00 1.00 C ATOM 435 OH TYR A 30 7.148 -8.735 11.011 1.00 1.00 O ATOM 0 H TYR A 30 3.945 -7.159 4.191 1.00 1.00 H new ATOM 0 HA TYR A 30 6.694 -7.344 5.169 1.00 1.00 H new ATOM 0 HB2 TYR A 30 4.493 -9.366 5.543 1.00 1.00 H new ATOM 0 HB3 TYR A 30 6.079 -9.983 5.123 1.00 1.00 H new ATOM 0 HD1 TYR A 30 7.966 -9.762 6.693 1.00 1.00 H new ATOM 0 HD2 TYR A 30 4.104 -8.281 7.712 1.00 1.00 H new ATOM 0 HE1 TYR A 30 8.654 -9.588 9.044 1.00 1.00 H new ATOM 0 HE2 TYR A 30 4.789 -8.104 10.063 1.00 1.00 H new ATOM 0 HH TYR A 30 6.403 -8.389 11.545 1.00 1.00 H new ATOM 445 N TYR A 31 5.575 -7.614 2.342 1.00 1.00 N ATOM 446 CA TYR A 31 5.869 -7.937 0.947 1.00 1.00 C ATOM 447 C TYR A 31 6.952 -7.016 0.390 1.00 1.00 C ATOM 448 O TYR A 31 8.112 -7.411 0.273 1.00 1.00 O ATOM 449 CB TYR A 31 4.607 -7.843 0.093 1.00 1.00 C ATOM 450 CG TYR A 31 4.074 -9.186 -0.351 1.00 1.00 C ATOM 451 CD1 TYR A 31 3.365 -9.997 0.526 1.00 1.00 C ATOM 452 CD2 TYR A 31 4.281 -9.644 -1.647 1.00 1.00 C ATOM 453 CE1 TYR A 31 2.877 -11.226 0.125 1.00 1.00 C ATOM 454 CE2 TYR A 31 3.796 -10.872 -2.055 1.00 1.00 C ATOM 455 CZ TYR A 31 3.095 -11.659 -1.166 1.00 1.00 C ATOM 456 OH TYR A 31 2.609 -12.881 -1.570 1.00 1.00 O ATOM 0 H TYR A 31 4.889 -6.871 2.476 1.00 1.00 H new ATOM 0 HA TYR A 31 6.238 -8.962 0.912 1.00 1.00 H new ATOM 0 HB2 TYR A 31 3.834 -7.324 0.659 1.00 1.00 H new ATOM 0 HB3 TYR A 31 4.819 -7.237 -0.788 1.00 1.00 H new ATOM 0 HD1 TYR A 31 3.192 -9.661 1.538 1.00 1.00 H new ATOM 0 HD2 TYR A 31 4.830 -9.030 -2.346 1.00 1.00 H new ATOM 0 HE1 TYR A 31 2.328 -11.844 0.819 1.00 1.00 H new ATOM 0 HE2 TYR A 31 3.965 -11.214 -3.065 1.00 1.00 H new ATOM 0 HH TYR A 31 2.848 -13.034 -2.508 1.00 1.00 H new ATOM 466 N CYS A 32 6.571 -5.791 0.047 1.00 1.00 N ATOM 467 CA CYS A 32 7.520 -4.824 -0.499 1.00 1.00 C ATOM 468 C CYS A 32 8.668 -4.578 0.477 1.00 1.00 C ATOM 469 O CYS A 32 8.445 -4.336 1.664 1.00 1.00 O ATOM 470 CB CYS A 32 6.814 -3.506 -0.822 1.00 1.00 C ATOM 471 SG CYS A 32 7.102 -2.905 -2.518 1.00 1.00 S ATOM 0 H CYS A 32 5.616 -5.443 0.136 1.00 1.00 H new ATOM 0 HA CYS A 32 7.932 -5.238 -1.419 1.00 1.00 H new ATOM 0 HB2 CYS A 32 5.742 -3.633 -0.670 1.00 1.00 H new ATOM 0 HB3 CYS A 32 7.148 -2.745 -0.117 1.00 1.00 H new ATOM 476 N SER A 33 9.895 -4.642 -0.034 1.00 1.00 N ATOM 477 CA SER A 33 11.087 -4.427 0.785 1.00 1.00 C ATOM 478 C SER A 33 10.997 -5.188 2.108 1.00 1.00 C ATOM 479 O SER A 33 10.130 -6.043 2.286 1.00 1.00 O ATOM 480 CB SER A 33 11.282 -2.932 1.054 1.00 1.00 C ATOM 481 OG SER A 33 12.463 -2.453 0.434 1.00 1.00 O ATOM 0 H SER A 33 10.091 -4.842 -1.015 1.00 1.00 H new ATOM 0 HA SER A 33 11.946 -4.808 0.232 1.00 1.00 H new ATOM 0 HB2 SER A 33 10.421 -2.377 0.682 1.00 1.00 H new ATOM 0 HB3 SER A 33 11.334 -2.756 2.128 1.00 1.00 H new ATOM 0 HG SER A 33 12.564 -1.496 0.619 1.00 1.00 H new ATOM 487 N HIS A 34 11.902 -4.873 3.029 1.00 1.00 N ATOM 488 CA HIS A 34 11.927 -5.525 4.332 1.00 1.00 C ATOM 489 C HIS A 34 11.625 -4.529 5.446 1.00 1.00 C ATOM 490 O HIS A 34 12.523 -3.854 5.950 1.00 1.00 O ATOM 491 CB HIS A 34 13.290 -6.178 4.572 1.00 1.00 C ATOM 492 CG HIS A 34 13.471 -7.472 3.842 1.00 1.00 C ATOM 493 ND1 HIS A 34 14.276 -7.604 2.730 1.00 1.00 N ATOM 494 CD2 HIS A 34 12.944 -8.699 4.069 1.00 1.00 C ATOM 495 CE1 HIS A 34 14.236 -8.854 2.305 1.00 1.00 C ATOM 496 NE2 HIS A 34 13.436 -9.539 3.101 1.00 1.00 N ATOM 0 H HIS A 34 12.628 -4.169 2.896 1.00 1.00 H new ATOM 0 HA HIS A 34 11.155 -6.295 4.340 1.00 1.00 H new ATOM 0 HB2 HIS A 34 14.074 -5.485 4.267 1.00 1.00 H new ATOM 0 HB3 HIS A 34 13.417 -6.352 5.640 1.00 1.00 H new ATOM 0 HD2 HIS A 34 12.263 -8.967 4.864 1.00 1.00 H new ATOM 0 HE1 HIS A 34 14.767 -9.249 1.452 1.00 1.00 H new ATOM 0 HE2 HIS A 34 13.219 -10.532 3.011 1.00 1.00 H new ATOM 505 N ARG A 35 10.355 -4.443 5.827 1.00 1.00 N ATOM 506 CA ARG A 35 9.934 -3.529 6.882 1.00 1.00 C ATOM 507 C ARG A 35 10.268 -4.096 8.259 1.00 1.00 C ATOM 508 O ARG A 35 10.165 -5.302 8.486 1.00 1.00 O ATOM 509 CB ARG A 35 8.432 -3.257 6.781 1.00 1.00 C ATOM 510 CG ARG A 35 8.083 -2.107 5.849 1.00 1.00 C ATOM 511 CD ARG A 35 6.938 -1.271 6.398 1.00 1.00 C ATOM 512 NE ARG A 35 7.403 -0.258 7.342 1.00 1.00 N ATOM 513 CZ ARG A 35 6.619 0.677 7.872 1.00 1.00 C ATOM 514 NH1 ARG A 35 5.331 0.732 7.553 1.00 1.00 N ATOM 515 NH2 ARG A 35 7.123 1.561 8.722 1.00 1.00 N ATOM 0 H ARG A 35 9.600 -4.995 5.421 1.00 1.00 H new ATOM 0 HA ARG A 35 10.476 -2.592 6.753 1.00 1.00 H new ATOM 0 HB2 ARG A 35 7.930 -4.160 6.434 1.00 1.00 H new ATOM 0 HB3 ARG A 35 8.043 -3.039 7.776 1.00 1.00 H new ATOM 0 HG2 ARG A 35 8.960 -1.475 5.705 1.00 1.00 H new ATOM 0 HG3 ARG A 35 7.810 -2.501 4.870 1.00 1.00 H new ATOM 0 HD2 ARG A 35 6.416 -0.786 5.573 1.00 1.00 H new ATOM 0 HD3 ARG A 35 6.217 -1.923 6.892 1.00 1.00 H new ATOM 0 HE ARG A 35 8.387 -0.268 7.611 1.00 1.00 H new ATOM 0 HH11 ARG A 35 4.938 0.055 6.899 1.00 1.00 H new ATOM 0 HH12 ARG A 35 4.734 1.451 7.962 1.00 1.00 H new ATOM 0 HH21 ARG A 35 8.112 1.524 8.970 1.00 1.00 H new ATOM 0 HH22 ARG A 35 6.522 2.278 9.128 1.00 1.00 H new ATOM 529 N ILE A 36 10.668 -3.218 9.172 1.00 1.00 N ATOM 530 CA ILE A 36 11.018 -3.631 10.527 1.00 1.00 C ATOM 531 C ILE A 36 10.529 -2.613 11.554 1.00 1.00 C ATOM 532 O ILE A 36 10.052 -3.039 12.627 1.00 1.00 O ATOM 533 CB ILE A 36 12.541 -3.818 10.679 1.00 1.00 C ATOM 534 CG1 ILE A 36 12.878 -4.351 12.074 1.00 1.00 C ATOM 535 CG2 ILE A 36 13.269 -2.508 10.415 1.00 1.00 C ATOM 536 CD1 ILE A 36 13.988 -5.379 12.076 1.00 1.00 C ATOM 537 OXT ILE A 36 10.630 -1.400 11.277 1.00 1.00 O ATOM 0 H ILE A 36 10.758 -2.217 8.999 1.00 1.00 H new ATOM 0 HA ILE A 36 10.525 -4.586 10.708 1.00 1.00 H new ATOM 0 HB ILE A 36 12.874 -4.549 9.942 1.00 1.00 H new ATOM 0 HG12 ILE A 36 13.166 -3.516 12.713 1.00 1.00 H new ATOM 0 HG13 ILE A 36 11.983 -4.794 12.511 1.00 1.00 H new ATOM 0 HG21 ILE A 36 14.343 -2.659 10.527 1.00 1.00 H new ATOM 0 HG22 ILE A 36 13.054 -2.170 9.401 1.00 1.00 H new ATOM 0 HG23 ILE A 36 12.933 -1.755 11.128 1.00 1.00 H new ATOM 0 HD11 ILE A 36 14.173 -5.712 13.097 1.00 1.00 H new ATOM 0 HD12 ILE A 36 13.695 -6.232 11.463 1.00 1.00 H new ATOM 0 HD13 ILE A 36 14.896 -4.935 11.669 1.00 1.00 H new TER 549 ILE A 36 HETATM 550 ZN ZN A 37 5.070 -3.041 -3.579 1.00 1.00 ZN