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+ -159:sc= 0 (180deg=-0.239) 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 180:sc= 0 (180deg=0) USER MOD Single : A 19 SER OG : rot 38:sc= 0.109 USER MOD Single : A 20 SER OG : rot -99:sc= -1.03 USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 23 THR OG1 : rot 180:sc= 0.0938 USER MOD Single : A 28 GLN : amide:sc= 0 X(o=0,f=-0.29) 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= -0.0701 X(o=-0.07,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -9.777 13.679 3.966 1.00 1.00 N ATOM 2 CA GLY A 1 -9.512 13.697 2.501 1.00 1.00 C ATOM 3 C GLY A 1 -8.043 13.888 2.179 1.00 1.00 C ATOM 4 O GLY A 1 -7.408 14.817 2.678 1.00 1.00 O ATOM 0 H1 GLY A 1 -10.685 13.206 4.149 1.00 1.00 H new ATOM 0 H2 GLY A 1 -9.015 13.163 4.450 1.00 1.00 H new ATOM 0 H3 GLY A 1 -9.817 14.655 4.324 1.00 1.00 H new ATOM 0 HA2 GLY A 1 -9.858 12.762 2.061 1.00 1.00 H new ATOM 0 HA3 GLY A 1 -10.089 14.499 2.041 1.00 1.00 H new ATOM 10 N SER A 2 -7.503 13.005 1.344 1.00 1.00 N ATOM 11 CA SER A 2 -6.099 13.075 0.952 1.00 1.00 C ATOM 12 C SER A 2 -5.183 12.884 2.159 1.00 1.00 C ATOM 13 O SER A 2 -4.648 11.797 2.377 1.00 1.00 O ATOM 14 CB SER A 2 -5.799 14.414 0.272 1.00 1.00 C ATOM 15 OG SER A 2 -6.443 14.502 -0.988 1.00 1.00 O ATOM 0 H SER A 2 -8.018 12.231 0.925 1.00 1.00 H new ATOM 0 HA SER A 2 -5.908 12.268 0.245 1.00 1.00 H new ATOM 0 HB2 SER A 2 -6.130 15.232 0.911 1.00 1.00 H new ATOM 0 HB3 SER A 2 -4.723 14.527 0.142 1.00 1.00 H new ATOM 0 HG SER A 2 -6.237 15.367 -1.401 1.00 1.00 H new ATOM 21 N LEU A 3 -5.010 13.945 2.941 1.00 1.00 N ATOM 22 CA LEU A 3 -4.160 13.890 4.125 1.00 1.00 C ATOM 23 C LEU A 3 -4.853 13.140 5.258 1.00 1.00 C ATOM 24 O LEU A 3 -6.079 13.159 5.369 1.00 1.00 O ATOM 25 CB LEU A 3 -3.794 15.303 4.583 1.00 1.00 C ATOM 26 CG LEU A 3 -4.975 16.272 4.697 1.00 1.00 C ATOM 27 CD1 LEU A 3 -4.834 17.142 5.937 1.00 1.00 C ATOM 28 CD2 LEU A 3 -5.078 17.135 3.449 1.00 1.00 C ATOM 0 H LEU A 3 -5.447 14.852 2.776 1.00 1.00 H new ATOM 0 HA LEU A 3 -3.248 13.353 3.862 1.00 1.00 H new ATOM 0 HB2 LEU A 3 -3.301 15.238 5.553 1.00 1.00 H new ATOM 0 HB3 LEU A 3 -3.068 15.719 3.884 1.00 1.00 H new ATOM 0 HG LEU A 3 -5.891 15.689 4.789 1.00 1.00 H new ATOM 0 HD11 LEU A 3 -5.682 17.824 6.001 1.00 1.00 H new ATOM 0 HD12 LEU A 3 -4.809 16.509 6.824 1.00 1.00 H new ATOM 0 HD13 LEU A 3 -3.910 17.717 5.875 1.00 1.00 H new ATOM 0 HD21 LEU A 3 -5.922 17.817 3.547 1.00 1.00 H new ATOM 0 HD22 LEU A 3 -4.160 17.709 3.327 1.00 1.00 H new ATOM 0 HD23 LEU A 3 -5.226 16.498 2.577 1.00 1.00 H new ATOM 40 N LEU A 4 -4.059 12.480 6.096 1.00 1.00 N ATOM 41 CA LEU A 4 -4.594 11.722 7.223 1.00 1.00 C ATOM 42 C LEU A 4 -5.419 10.534 6.739 1.00 1.00 C ATOM 43 O LEU A 4 -4.963 9.390 6.783 1.00 1.00 O ATOM 44 CB LEU A 4 -5.448 12.627 8.118 1.00 1.00 C ATOM 45 CG LEU A 4 -4.960 12.752 9.563 1.00 1.00 C ATOM 46 CD1 LEU A 4 -4.893 11.385 10.225 1.00 1.00 C ATOM 47 CD2 LEU A 4 -3.600 13.435 9.607 1.00 1.00 C ATOM 0 H LEU A 4 -3.042 12.455 6.016 1.00 1.00 H new ATOM 0 HA LEU A 4 -3.753 11.342 7.804 1.00 1.00 H new ATOM 0 HB2 LEU A 4 -5.483 13.622 7.675 1.00 1.00 H new ATOM 0 HB3 LEU A 4 -6.469 12.245 8.127 1.00 1.00 H new ATOM 0 HG LEU A 4 -5.672 13.365 10.116 1.00 1.00 H new ATOM 0 HD11 LEU A 4 -4.544 11.495 11.252 1.00 1.00 H new ATOM 0 HD12 LEU A 4 -5.884 10.932 10.225 1.00 1.00 H new ATOM 0 HD13 LEU A 4 -4.203 10.747 9.673 1.00 1.00 H new ATOM 0 HD21 LEU A 4 -3.267 13.516 10.642 1.00 1.00 H new ATOM 0 HD22 LEU A 4 -2.879 12.847 9.039 1.00 1.00 H new ATOM 0 HD23 LEU A 4 -3.679 14.431 9.172 1.00 1.00 H new ATOM 59 N LYS A 5 -6.635 10.810 6.277 1.00 1.00 N ATOM 60 CA LYS A 5 -7.522 9.763 5.784 1.00 1.00 C ATOM 61 C LYS A 5 -7.106 9.310 4.385 1.00 1.00 C ATOM 62 O LYS A 5 -7.238 10.061 3.419 1.00 1.00 O ATOM 63 CB LYS A 5 -8.968 10.264 5.760 1.00 1.00 C ATOM 64 CG LYS A 5 -9.748 9.931 7.022 1.00 1.00 C ATOM 65 CD LYS A 5 -10.795 8.859 6.767 1.00 1.00 C ATOM 66 CE LYS A 5 -10.188 7.466 6.812 1.00 1.00 C ATOM 67 NZ LYS A 5 -11.229 6.410 6.957 1.00 1.00 N ATOM 0 H LYS A 5 -7.028 11.750 6.234 1.00 1.00 H new ATOM 0 HA LYS A 5 -7.449 8.910 6.459 1.00 1.00 H new ATOM 0 HB2 LYS A 5 -8.967 11.345 5.618 1.00 1.00 H new ATOM 0 HB3 LYS A 5 -9.480 9.830 4.901 1.00 1.00 H new ATOM 0 HG2 LYS A 5 -9.060 9.592 7.796 1.00 1.00 H new ATOM 0 HG3 LYS A 5 -10.233 10.832 7.399 1.00 1.00 H new ATOM 0 HD2 LYS A 5 -11.586 8.937 7.513 1.00 1.00 H new ATOM 0 HD3 LYS A 5 -11.257 9.024 5.794 1.00 1.00 H new ATOM 0 HE2 LYS A 5 -9.617 7.290 5.901 1.00 1.00 H new ATOM 0 HE3 LYS A 5 -9.488 7.402 7.645 1.00 1.00 H new ATOM 0 HZ1 LYS A 5 -10.774 5.475 6.984 1.00 1.00 H new ATOM 0 HZ2 LYS A 5 -11.758 6.563 7.839 1.00 1.00 H new ATOM 0 HZ3 LYS A 5 -11.883 6.454 6.149 1.00 1.00 H new ATOM 81 N PRO A 6 -6.594 8.071 4.253 1.00 1.00 N ATOM 82 CA PRO A 6 -6.162 7.532 2.960 1.00 1.00 C ATOM 83 C PRO A 6 -7.335 7.256 2.027 1.00 1.00 C ATOM 84 O PRO A 6 -8.445 6.971 2.477 1.00 1.00 O ATOM 85 CB PRO A 6 -5.457 6.228 3.334 1.00 1.00 C ATOM 86 CG PRO A 6 -6.072 5.823 4.627 1.00 1.00 C ATOM 87 CD PRO A 6 -6.396 7.101 5.349 1.00 1.00 C ATOM 0 HA PRO A 6 -5.527 8.233 2.419 1.00 1.00 H new ATOM 0 HB2 PRO A 6 -5.604 5.465 2.570 1.00 1.00 H new ATOM 0 HB3 PRO A 6 -4.382 6.374 3.436 1.00 1.00 H new ATOM 0 HG2 PRO A 6 -6.971 5.229 4.463 1.00 1.00 H new ATOM 0 HG3 PRO A 6 -5.386 5.208 5.210 1.00 1.00 H new ATOM 0 HD2 PRO A 6 -7.291 7.000 5.963 1.00 1.00 H new ATOM 0 HD3 PRO A 6 -5.586 7.404 6.013 1.00 1.00 H new ATOM 95 N ALA A 7 -7.082 7.339 0.726 1.00 1.00 N ATOM 96 CA ALA A 7 -8.118 7.096 -0.272 1.00 1.00 C ATOM 97 C ALA A 7 -7.509 6.641 -1.595 1.00 1.00 C ATOM 98 O ALA A 7 -8.059 6.902 -2.664 1.00 1.00 O ATOM 99 CB ALA A 7 -8.955 8.349 -0.478 1.00 1.00 C ATOM 0 H ALA A 7 -6.168 7.573 0.337 1.00 1.00 H new ATOM 0 HA ALA A 7 -8.763 6.298 0.095 1.00 1.00 H new ATOM 0 HB1 ALA A 7 -9.724 8.154 -1.225 1.00 1.00 H new ATOM 0 HB2 ALA A 7 -9.427 8.630 0.464 1.00 1.00 H new ATOM 0 HB3 ALA A 7 -8.315 9.162 -0.820 1.00 1.00 H new ATOM 105 N ARG A 8 -6.373 5.957 -1.513 1.00 1.00 N ATOM 106 CA ARG A 8 -5.690 5.464 -2.702 1.00 1.00 C ATOM 107 C ARG A 8 -5.108 4.074 -2.459 1.00 1.00 C ATOM 108 O ARG A 8 -5.124 3.572 -1.335 1.00 1.00 O ATOM 109 CB ARG A 8 -4.577 6.430 -3.115 1.00 1.00 C ATOM 110 CG ARG A 8 -5.014 7.450 -4.154 1.00 1.00 C ATOM 111 CD ARG A 8 -4.899 6.894 -5.563 1.00 1.00 C ATOM 112 NE ARG A 8 -5.571 7.742 -6.545 1.00 1.00 N ATOM 113 CZ ARG A 8 -5.608 7.481 -7.850 1.00 1.00 C ATOM 114 NH1 ARG A 8 -5.013 6.397 -8.333 1.00 1.00 N ATOM 115 NH2 ARG A 8 -6.242 8.306 -8.672 1.00 1.00 N ATOM 0 H ARG A 8 -5.906 5.732 -0.635 1.00 1.00 H new ATOM 0 HA ARG A 8 -6.421 5.397 -3.508 1.00 1.00 H new ATOM 0 HB2 ARG A 8 -4.216 6.956 -2.231 1.00 1.00 H new ATOM 0 HB3 ARG A 8 -3.738 5.857 -3.510 1.00 1.00 H new ATOM 0 HG2 ARG A 8 -6.045 7.747 -3.962 1.00 1.00 H new ATOM 0 HG3 ARG A 8 -4.401 8.347 -4.065 1.00 1.00 H new ATOM 0 HD2 ARG A 8 -3.846 6.796 -5.829 1.00 1.00 H new ATOM 0 HD3 ARG A 8 -5.330 5.893 -5.594 1.00 1.00 H new ATOM 0 HE ARG A 8 -6.040 8.584 -6.211 1.00 1.00 H new ATOM 0 HH11 ARG A 8 -4.525 5.760 -7.704 1.00 1.00 H new ATOM 0 HH12 ARG A 8 -5.044 6.201 -9.334 1.00 1.00 H new ATOM 0 HH21 ARG A 8 -6.701 9.140 -8.304 1.00 1.00 H new ATOM 0 HH22 ARG A 8 -6.271 8.107 -9.672 1.00 1.00 H new ATOM 129 N PHE A 9 -4.596 3.458 -3.520 1.00 1.00 N ATOM 130 CA PHE A 9 -4.012 2.126 -3.421 1.00 1.00 C ATOM 131 C PHE A 9 -2.992 1.897 -4.533 1.00 1.00 C ATOM 132 O PHE A 9 -2.638 2.824 -5.263 1.00 1.00 O ATOM 133 CB PHE A 9 -5.110 1.062 -3.487 1.00 1.00 C ATOM 134 CG PHE A 9 -5.918 1.110 -4.752 1.00 1.00 C ATOM 135 CD1 PHE A 9 -5.407 0.605 -5.936 1.00 1.00 C ATOM 136 CD2 PHE A 9 -7.191 1.658 -4.755 1.00 1.00 C ATOM 137 CE1 PHE A 9 -6.150 0.648 -7.101 1.00 1.00 C ATOM 138 CE2 PHE A 9 -7.938 1.704 -5.916 1.00 1.00 C ATOM 139 CZ PHE A 9 -7.417 1.198 -7.091 1.00 1.00 C ATOM 0 H PHE A 9 -4.574 3.860 -4.457 1.00 1.00 H new ATOM 0 HA PHE A 9 -3.499 2.048 -2.463 1.00 1.00 H new ATOM 0 HB2 PHE A 9 -4.655 0.076 -3.394 1.00 1.00 H new ATOM 0 HB3 PHE A 9 -5.777 1.187 -2.634 1.00 1.00 H new ATOM 0 HD1 PHE A 9 -4.417 0.173 -5.949 1.00 1.00 H new ATOM 0 HD2 PHE A 9 -7.604 2.054 -3.839 1.00 1.00 H new ATOM 0 HE1 PHE A 9 -5.740 0.252 -8.018 1.00 1.00 H new ATOM 0 HE2 PHE A 9 -8.928 2.135 -5.905 1.00 1.00 H new ATOM 0 HZ PHE A 9 -7.999 1.232 -8.000 1.00 1.00 H new ATOM 149 N MET A 10 -2.522 0.657 -4.657 1.00 1.00 N ATOM 150 CA MET A 10 -1.542 0.301 -5.682 1.00 1.00 C ATOM 151 C MET A 10 -0.150 0.798 -5.306 1.00 1.00 C ATOM 152 O MET A 10 0.025 1.954 -4.919 1.00 1.00 O ATOM 153 CB MET A 10 -1.950 0.875 -7.043 1.00 1.00 C ATOM 154 CG MET A 10 -1.655 -0.054 -8.209 1.00 1.00 C ATOM 155 SD MET A 10 -1.796 0.772 -9.806 1.00 1.00 S ATOM 156 CE MET A 10 -0.168 1.504 -9.954 1.00 1.00 C ATOM 0 H MET A 10 -2.805 -0.120 -4.059 1.00 1.00 H new ATOM 0 HA MET A 10 -1.515 -0.787 -5.750 1.00 1.00 H new ATOM 0 HB2 MET A 10 -3.017 1.099 -7.028 1.00 1.00 H new ATOM 0 HB3 MET A 10 -1.429 1.819 -7.201 1.00 1.00 H new ATOM 0 HG2 MET A 10 -0.649 -0.459 -8.101 1.00 1.00 H new ATOM 0 HG3 MET A 10 -2.343 -0.899 -8.179 1.00 1.00 H new ATOM 0 HE1 MET A 10 -0.099 2.051 -10.894 1.00 1.00 H new ATOM 0 HE2 MET A 10 0.000 2.189 -9.123 1.00 1.00 H new ATOM 0 HE3 MET A 10 0.587 0.718 -9.935 1.00 1.00 H new ATOM 166 N CYS A 11 0.838 -0.083 -5.427 1.00 1.00 N ATOM 167 CA CYS A 11 2.219 0.265 -5.105 1.00 1.00 C ATOM 168 C CYS A 11 2.977 0.670 -6.365 1.00 1.00 C ATOM 169 O CYS A 11 3.591 -0.166 -7.028 1.00 1.00 O ATOM 170 CB CYS A 11 2.924 -0.912 -4.426 1.00 1.00 C ATOM 171 SG CYS A 11 4.135 -0.423 -3.155 1.00 1.00 S ATOM 0 H CYS A 11 0.709 -1.043 -5.746 1.00 1.00 H new ATOM 0 HA CYS A 11 2.206 1.111 -4.417 1.00 1.00 H new ATOM 0 HB2 CYS A 11 2.173 -1.556 -3.968 1.00 1.00 H new ATOM 0 HB3 CYS A 11 3.432 -1.505 -5.187 1.00 1.00 H new ATOM 176 N LEU A 12 2.929 1.959 -6.692 1.00 1.00 N ATOM 177 CA LEU A 12 3.611 2.474 -7.877 1.00 1.00 C ATOM 178 C LEU A 12 5.093 2.100 -7.866 1.00 1.00 C ATOM 179 O LEU A 12 5.616 1.592 -8.857 1.00 1.00 O ATOM 180 CB LEU A 12 3.454 3.995 -7.979 1.00 1.00 C ATOM 181 CG LEU A 12 2.110 4.549 -7.493 1.00 1.00 C ATOM 182 CD1 LEU A 12 2.245 5.123 -6.091 1.00 1.00 C ATOM 183 CD2 LEU A 12 1.588 5.605 -8.456 1.00 1.00 C ATOM 0 H LEU A 12 2.426 2.665 -6.154 1.00 1.00 H new ATOM 0 HA LEU A 12 3.146 2.015 -8.750 1.00 1.00 H new ATOM 0 HB2 LEU A 12 4.251 4.465 -7.404 1.00 1.00 H new ATOM 0 HB3 LEU A 12 3.595 4.289 -9.019 1.00 1.00 H new ATOM 0 HG LEU A 12 1.392 3.730 -7.460 1.00 1.00 H new ATOM 0 HD11 LEU A 12 1.281 5.512 -5.763 1.00 1.00 H new ATOM 0 HD12 LEU A 12 2.573 4.340 -5.407 1.00 1.00 H new ATOM 0 HD13 LEU A 12 2.978 5.929 -6.097 1.00 1.00 H new ATOM 0 HD21 LEU A 12 0.633 5.987 -8.095 1.00 1.00 H new ATOM 0 HD22 LEU A 12 2.305 6.424 -8.522 1.00 1.00 H new ATOM 0 HD23 LEU A 12 1.452 5.162 -9.443 1.00 1.00 H new ATOM 195 N PRO A 13 5.797 2.344 -6.744 1.00 1.00 N ATOM 196 CA PRO A 13 7.218 2.025 -6.623 1.00 1.00 C ATOM 197 C PRO A 13 7.454 0.558 -6.278 1.00 1.00 C ATOM 198 O PRO A 13 8.138 0.241 -5.304 1.00 1.00 O ATOM 199 CB PRO A 13 7.670 2.926 -5.478 1.00 1.00 C ATOM 200 CG PRO A 13 6.470 3.043 -4.600 1.00 1.00 C ATOM 201 CD PRO A 13 5.265 2.948 -5.503 1.00 1.00 C ATOM 0 HA PRO A 13 7.761 2.184 -7.554 1.00 1.00 H new ATOM 0 HB2 PRO A 13 8.514 2.493 -4.941 1.00 1.00 H new ATOM 0 HB3 PRO A 13 7.991 3.901 -5.843 1.00 1.00 H new ATOM 0 HG2 PRO A 13 6.458 2.250 -3.853 1.00 1.00 H new ATOM 0 HG3 PRO A 13 6.476 3.990 -4.060 1.00 1.00 H new ATOM 0 HD2 PRO A 13 4.483 2.330 -5.062 1.00 1.00 H new ATOM 0 HD3 PRO A 13 4.829 3.929 -5.691 1.00 1.00 H new ATOM 209 N CYS A 14 6.880 -0.335 -7.078 1.00 1.00 N ATOM 210 CA CYS A 14 7.024 -1.767 -6.855 1.00 1.00 C ATOM 211 C CYS A 14 6.763 -2.546 -8.138 1.00 1.00 C ATOM 212 O CYS A 14 7.519 -3.451 -8.493 1.00 1.00 O ATOM 213 CB CYS A 14 6.058 -2.222 -5.760 1.00 1.00 C ATOM 214 SG CYS A 14 6.871 -2.779 -4.228 1.00 1.00 S ATOM 0 H CYS A 14 6.310 -0.090 -7.888 1.00 1.00 H new ATOM 0 HA CYS A 14 8.048 -1.965 -6.538 1.00 1.00 H new ATOM 0 HB2 CYS A 14 5.384 -1.399 -5.521 1.00 1.00 H new ATOM 0 HB3 CYS A 14 5.444 -3.035 -6.148 1.00 1.00 H new ATOM 219 N GLY A 15 5.686 -2.190 -8.828 1.00 1.00 N ATOM 220 CA GLY A 15 5.335 -2.857 -10.058 1.00 1.00 C ATOM 221 C GLY A 15 4.000 -3.574 -9.974 1.00 1.00 C ATOM 222 O GLY A 15 3.342 -3.793 -10.990 1.00 1.00 O ATOM 0 H GLY A 15 5.048 -1.444 -8.551 1.00 1.00 H new ATOM 0 HA2 GLY A 15 5.300 -2.126 -10.866 1.00 1.00 H new ATOM 0 HA3 GLY A 15 6.114 -3.576 -10.312 1.00 1.00 H new ATOM 226 N ILE A 16 3.601 -3.939 -8.759 1.00 1.00 N ATOM 227 CA ILE A 16 2.337 -4.636 -8.547 1.00 1.00 C ATOM 228 C ILE A 16 1.179 -3.649 -8.429 1.00 1.00 C ATOM 229 O ILE A 16 1.381 -2.472 -8.132 1.00 1.00 O ATOM 230 CB ILE A 16 2.383 -5.510 -7.279 1.00 1.00 C ATOM 231 CG1 ILE A 16 3.647 -6.373 -7.269 1.00 1.00 C ATOM 232 CG2 ILE A 16 1.138 -6.380 -7.191 1.00 1.00 C ATOM 233 CD1 ILE A 16 4.437 -6.273 -5.982 1.00 1.00 C ATOM 0 H ILE A 16 4.134 -3.764 -7.907 1.00 1.00 H new ATOM 0 HA ILE A 16 2.179 -5.276 -9.415 1.00 1.00 H new ATOM 0 HB ILE A 16 2.409 -4.857 -6.407 1.00 1.00 H new ATOM 0 HG12 ILE A 16 3.368 -7.414 -7.435 1.00 1.00 H new ATOM 0 HG13 ILE A 16 4.285 -6.078 -8.102 1.00 1.00 H new ATOM 0 HG21 ILE A 16 1.185 -6.992 -6.290 1.00 1.00 H new ATOM 0 HG22 ILE A 16 0.253 -5.745 -7.153 1.00 1.00 H new ATOM 0 HG23 ILE A 16 1.084 -7.027 -8.067 1.00 1.00 H new ATOM 0 HD11 ILE A 16 5.319 -6.910 -6.046 1.00 1.00 H new ATOM 0 HD12 ILE A 16 4.747 -5.240 -5.825 1.00 1.00 H new ATOM 0 HD13 ILE A 16 3.815 -6.597 -5.147 1.00 1.00 H new ATOM 245 N ALA A 17 -0.036 -4.138 -8.662 1.00 1.00 N ATOM 246 CA ALA A 17 -1.225 -3.298 -8.581 1.00 1.00 C ATOM 247 C ALA A 17 -2.376 -4.038 -7.908 1.00 1.00 C ATOM 248 O ALA A 17 -2.914 -5.001 -8.455 1.00 1.00 O ATOM 249 CB ALA A 17 -1.636 -2.830 -9.969 1.00 1.00 C ATOM 0 H ALA A 17 -0.222 -5.110 -8.908 1.00 1.00 H new ATOM 0 HA ALA A 17 -0.983 -2.427 -7.972 1.00 1.00 H new ATOM 0 HB1 ALA A 17 -2.525 -2.204 -9.893 1.00 1.00 H new ATOM 0 HB2 ALA A 17 -0.824 -2.255 -10.414 1.00 1.00 H new ATOM 0 HB3 ALA A 17 -1.854 -3.695 -10.595 1.00 1.00 H new ATOM 255 N PHE A 18 -2.748 -3.583 -6.716 1.00 1.00 N ATOM 256 CA PHE A 18 -3.822 -4.190 -5.960 1.00 1.00 C ATOM 257 C PHE A 18 -5.175 -3.627 -6.389 1.00 1.00 C ATOM 258 O PHE A 18 -5.271 -2.912 -7.386 1.00 1.00 O ATOM 259 CB PHE A 18 -3.587 -3.924 -4.480 1.00 1.00 C ATOM 260 CG PHE A 18 -2.521 -4.791 -3.874 1.00 1.00 C ATOM 261 CD1 PHE A 18 -2.682 -6.166 -3.804 1.00 1.00 C ATOM 262 CD2 PHE A 18 -1.356 -4.230 -3.375 1.00 1.00 C ATOM 263 CE1 PHE A 18 -1.701 -6.965 -3.249 1.00 1.00 C ATOM 264 CE2 PHE A 18 -0.372 -5.024 -2.818 1.00 1.00 C ATOM 265 CZ PHE A 18 -0.544 -6.393 -2.754 1.00 1.00 C ATOM 0 H PHE A 18 -2.311 -2.786 -6.254 1.00 1.00 H new ATOM 0 HA PHE A 18 -3.834 -5.264 -6.148 1.00 1.00 H new ATOM 0 HB2 PHE A 18 -3.312 -2.878 -4.347 1.00 1.00 H new ATOM 0 HB3 PHE A 18 -4.520 -4.079 -3.939 1.00 1.00 H new ATOM 0 HD1 PHE A 18 -3.585 -6.618 -4.188 1.00 1.00 H new ATOM 0 HD2 PHE A 18 -1.216 -3.160 -3.422 1.00 1.00 H new ATOM 0 HE1 PHE A 18 -1.838 -8.035 -3.202 1.00 1.00 H new ATOM 0 HE2 PHE A 18 0.531 -4.574 -2.433 1.00 1.00 H new ATOM 0 HZ PHE A 18 0.224 -7.015 -2.318 1.00 1.00 H new ATOM 275 N SER A 19 -6.219 -3.953 -5.631 1.00 1.00 N ATOM 276 CA SER A 19 -7.562 -3.476 -5.937 1.00 1.00 C ATOM 277 C SER A 19 -8.430 -3.437 -4.682 1.00 1.00 C ATOM 278 O SER A 19 -9.651 -3.580 -4.756 1.00 1.00 O ATOM 279 CB SER A 19 -8.213 -4.368 -6.996 1.00 1.00 C ATOM 280 OG SER A 19 -8.082 -3.805 -8.290 1.00 1.00 O ATOM 0 H SER A 19 -6.160 -4.545 -4.802 1.00 1.00 H new ATOM 0 HA SER A 19 -7.479 -2.462 -6.327 1.00 1.00 H new ATOM 0 HB2 SER A 19 -7.751 -5.355 -6.978 1.00 1.00 H new ATOM 0 HB3 SER A 19 -9.269 -4.505 -6.761 1.00 1.00 H new ATOM 0 HG SER A 19 -7.203 -3.380 -8.375 1.00 1.00 H new ATOM 286 N SER A 20 -7.795 -3.238 -3.530 1.00 1.00 N ATOM 287 CA SER A 20 -8.515 -3.178 -2.264 1.00 1.00 C ATOM 288 C SER A 20 -7.638 -2.589 -1.160 1.00 1.00 C ATOM 289 O SER A 20 -6.421 -2.760 -1.172 1.00 1.00 O ATOM 290 CB SER A 20 -8.999 -4.572 -1.859 1.00 1.00 C ATOM 291 OG SER A 20 -10.156 -4.496 -1.046 1.00 1.00 O ATOM 0 H SER A 20 -6.786 -3.116 -3.448 1.00 1.00 H new ATOM 0 HA SER A 20 -9.378 -2.527 -2.400 1.00 1.00 H new ATOM 0 HB2 SER A 20 -9.217 -5.158 -2.752 1.00 1.00 H new ATOM 0 HB3 SER A 20 -8.207 -5.093 -1.321 1.00 1.00 H new ATOM 0 HG SER A 20 -9.901 -4.590 -0.104 1.00 1.00 H new ATOM 297 N PRO A 21 -8.249 -1.884 -0.189 1.00 1.00 N ATOM 298 CA PRO A 21 -7.522 -1.267 0.922 1.00 1.00 C ATOM 299 C PRO A 21 -7.256 -2.241 2.069 1.00 1.00 C ATOM 300 O PRO A 21 -7.434 -1.903 3.239 1.00 1.00 O ATOM 301 CB PRO A 21 -8.476 -0.164 1.369 1.00 1.00 C ATOM 302 CG PRO A 21 -9.834 -0.717 1.098 1.00 1.00 C ATOM 303 CD PRO A 21 -9.700 -1.627 -0.100 1.00 1.00 C ATOM 0 HA PRO A 21 -6.533 -0.917 0.625 1.00 1.00 H new ATOM 0 HB2 PRO A 21 -8.346 0.070 2.426 1.00 1.00 H new ATOM 0 HB3 PRO A 21 -8.305 0.759 0.815 1.00 1.00 H new ATOM 0 HG2 PRO A 21 -10.208 -1.267 1.962 1.00 1.00 H new ATOM 0 HG3 PRO A 21 -10.545 0.084 0.898 1.00 1.00 H new ATOM 0 HD2 PRO A 21 -10.262 -2.551 0.035 1.00 1.00 H new ATOM 0 HD3 PRO A 21 -10.078 -1.153 -1.006 1.00 1.00 H new ATOM 311 N SER A 22 -6.817 -3.444 1.721 1.00 1.00 N ATOM 312 CA SER A 22 -6.508 -4.471 2.708 1.00 1.00 C ATOM 313 C SER A 22 -5.244 -5.208 2.298 1.00 1.00 C ATOM 314 O SER A 22 -4.322 -5.375 3.097 1.00 1.00 O ATOM 315 CB SER A 22 -7.673 -5.454 2.845 1.00 1.00 C ATOM 316 OG SER A 22 -7.884 -5.811 4.200 1.00 1.00 O ATOM 0 H SER A 22 -6.666 -3.734 0.755 1.00 1.00 H new ATOM 0 HA SER A 22 -6.349 -3.994 3.675 1.00 1.00 H new ATOM 0 HB2 SER A 22 -8.580 -5.006 2.438 1.00 1.00 H new ATOM 0 HB3 SER A 22 -7.468 -6.349 2.258 1.00 1.00 H new ATOM 0 HG SER A 22 -8.635 -6.438 4.260 1.00 1.00 H new ATOM 322 N THR A 23 -5.193 -5.623 1.037 1.00 1.00 N ATOM 323 CA THR A 23 -4.025 -6.313 0.516 1.00 1.00 C ATOM 324 C THR A 23 -2.814 -5.396 0.600 1.00 1.00 C ATOM 325 O THR A 23 -1.684 -5.850 0.781 1.00 1.00 O ATOM 326 CB THR A 23 -4.258 -6.755 -0.930 1.00 1.00 C ATOM 327 OG1 THR A 23 -5.644 -6.847 -1.208 1.00 1.00 O ATOM 328 CG2 THR A 23 -3.636 -8.096 -1.253 1.00 1.00 C ATOM 0 H THR A 23 -5.946 -5.493 0.361 1.00 1.00 H new ATOM 0 HA THR A 23 -3.844 -7.204 1.117 1.00 1.00 H new ATOM 0 HB THR A 23 -3.781 -5.993 -1.546 1.00 1.00 H new ATOM 0 HG1 THR A 23 -5.773 -7.129 -2.138 1.00 1.00 H new ATOM 0 HG21 THR A 23 -3.839 -8.350 -2.294 1.00 1.00 H new ATOM 0 HG22 THR A 23 -2.559 -8.045 -1.095 1.00 1.00 H new ATOM 0 HG23 THR A 23 -4.062 -8.861 -0.603 1.00 1.00 H new ATOM 336 N LEU A 24 -3.067 -4.093 0.492 1.00 1.00 N ATOM 337 CA LEU A 24 -2.013 -3.101 0.582 1.00 1.00 C ATOM 338 C LEU A 24 -1.375 -3.166 1.953 1.00 1.00 C ATOM 339 O LEU A 24 -0.153 -3.161 2.090 1.00 1.00 O ATOM 340 CB LEU A 24 -2.572 -1.698 0.335 1.00 1.00 C ATOM 341 CG LEU A 24 -3.708 -1.608 -0.684 1.00 1.00 C ATOM 342 CD1 LEU A 24 -4.035 -0.154 -0.988 1.00 1.00 C ATOM 343 CD2 LEU A 24 -3.345 -2.352 -1.959 1.00 1.00 C ATOM 0 H LEU A 24 -3.998 -3.705 0.342 1.00 1.00 H new ATOM 0 HA LEU A 24 -1.264 -3.313 -0.181 1.00 1.00 H new ATOM 0 HB2 LEU A 24 -2.927 -1.296 1.284 1.00 1.00 H new ATOM 0 HB3 LEU A 24 -1.757 -1.056 0.001 1.00 1.00 H new ATOM 0 HG LEU A 24 -4.593 -2.078 -0.255 1.00 1.00 H new ATOM 0 HD11 LEU A 24 -4.846 -0.108 -1.715 1.00 1.00 H new ATOM 0 HD12 LEU A 24 -4.341 0.350 -0.071 1.00 1.00 H new ATOM 0 HD13 LEU A 24 -3.153 0.340 -1.396 1.00 1.00 H new ATOM 0 HD21 LEU A 24 -4.167 -2.276 -2.671 1.00 1.00 H new ATOM 0 HD22 LEU A 24 -2.447 -1.913 -2.393 1.00 1.00 H new ATOM 0 HD23 LEU A 24 -3.161 -3.401 -1.728 1.00 1.00 H new ATOM 355 N GLU A 25 -2.223 -3.252 2.966 1.00 1.00 N ATOM 356 CA GLU A 25 -1.758 -3.351 4.337 1.00 1.00 C ATOM 357 C GLU A 25 -0.974 -4.641 4.518 1.00 1.00 C ATOM 358 O GLU A 25 -0.030 -4.707 5.305 1.00 1.00 O ATOM 359 CB GLU A 25 -2.945 -3.293 5.302 1.00 1.00 C ATOM 360 CG GLU A 25 -2.634 -2.585 6.610 1.00 1.00 C ATOM 361 CD GLU A 25 -2.415 -3.551 7.758 1.00 1.00 C ATOM 362 OE1 GLU A 25 -1.446 -4.336 7.696 1.00 1.00 O ATOM 363 OE2 GLU A 25 -3.213 -3.522 8.719 1.00 1.00 O ATOM 0 H GLU A 25 -3.238 -3.255 2.862 1.00 1.00 H new ATOM 0 HA GLU A 25 -1.101 -2.510 4.558 1.00 1.00 H new ATOM 0 HB2 GLU A 25 -3.776 -2.785 4.812 1.00 1.00 H new ATOM 0 HB3 GLU A 25 -3.276 -4.309 5.518 1.00 1.00 H new ATOM 0 HG2 GLU A 25 -1.743 -1.970 6.483 1.00 1.00 H new ATOM 0 HG3 GLU A 25 -3.454 -1.911 6.858 1.00 1.00 H new ATOM 370 N ALA A 26 -1.362 -5.658 3.759 1.00 1.00 N ATOM 371 CA ALA A 26 -0.697 -6.938 3.796 1.00 1.00 C ATOM 372 C ALA A 26 0.627 -6.854 3.055 1.00 1.00 C ATOM 373 O ALA A 26 1.616 -7.481 3.437 1.00 1.00 O ATOM 374 CB ALA A 26 -1.584 -8.022 3.199 1.00 1.00 C ATOM 0 H ALA A 26 -2.144 -5.611 3.106 1.00 1.00 H new ATOM 0 HA ALA A 26 -0.499 -7.202 4.835 1.00 1.00 H new ATOM 0 HB1 ALA A 26 -1.064 -8.979 3.236 1.00 1.00 H new ATOM 0 HB2 ALA A 26 -2.510 -8.090 3.770 1.00 1.00 H new ATOM 0 HB3 ALA A 26 -1.814 -7.774 2.163 1.00 1.00 H new ATOM 380 N HIS A 27 0.631 -6.054 1.995 1.00 1.00 N ATOM 381 CA HIS A 27 1.821 -5.848 1.186 1.00 1.00 C ATOM 382 C HIS A 27 2.808 -4.980 1.946 1.00 1.00 C ATOM 383 O HIS A 27 3.977 -5.333 2.105 1.00 1.00 O ATOM 384 CB HIS A 27 1.433 -5.187 -0.140 1.00 1.00 C ATOM 385 CG HIS A 27 2.594 -4.825 -1.011 1.00 1.00 C ATOM 386 ND1 HIS A 27 3.194 -5.696 -1.894 1.00 1.00 N ATOM 387 CD2 HIS A 27 3.257 -3.649 -1.137 1.00 1.00 C ATOM 388 CE1 HIS A 27 4.179 -5.034 -2.517 1.00 1.00 C ATOM 389 NE2 HIS A 27 4.257 -3.787 -2.092 1.00 1.00 N ATOM 0 H HIS A 27 -0.186 -5.534 1.676 1.00 1.00 H new ATOM 0 HA HIS A 27 2.291 -6.808 0.973 1.00 1.00 H new ATOM 0 HB2 HIS A 27 0.777 -5.862 -0.691 1.00 1.00 H new ATOM 0 HB3 HIS A 27 0.858 -4.286 0.072 1.00 1.00 H new ATOM 0 HD1 HIS A 27 2.935 -6.671 -2.046 1.00 1.00 H new ATOM 0 HD2 HIS A 27 3.042 -2.747 -0.583 1.00 1.00 H new ATOM 0 HE1 HIS A 27 4.824 -5.465 -3.268 1.00 1.00 H new ATOM 397 N GLN A 28 2.316 -3.852 2.437 1.00 1.00 N ATOM 398 CA GLN A 28 3.130 -2.933 3.212 1.00 1.00 C ATOM 399 C GLN A 28 3.557 -3.584 4.525 1.00 1.00 C ATOM 400 O GLN A 28 4.482 -3.118 5.191 1.00 1.00 O ATOM 401 CB GLN A 28 2.344 -1.649 3.492 1.00 1.00 C ATOM 402 CG GLN A 28 2.958 -0.412 2.863 1.00 1.00 C ATOM 403 CD GLN A 28 4.019 0.225 3.739 1.00 1.00 C ATOM 404 OE1 GLN A 28 4.925 -0.451 4.226 1.00 1.00 O ATOM 405 NE2 GLN A 28 3.910 1.532 3.945 1.00 1.00 N ATOM 0 H GLN A 28 1.350 -3.552 2.310 1.00 1.00 H new ATOM 0 HA GLN A 28 4.023 -2.684 2.639 1.00 1.00 H new ATOM 0 HB2 GLN A 28 1.326 -1.768 3.121 1.00 1.00 H new ATOM 0 HB3 GLN A 28 2.275 -1.503 4.570 1.00 1.00 H new ATOM 0 HG2 GLN A 28 3.398 -0.678 1.902 1.00 1.00 H new ATOM 0 HG3 GLN A 28 2.173 0.317 2.663 1.00 1.00 H new ATOM 0 HE21 GLN A 28 3.142 2.053 3.521 1.00 1.00 H new ATOM 0 HE22 GLN A 28 4.594 2.015 4.527 1.00 1.00 H new ATOM 414 N ALA A 29 2.868 -4.664 4.897 1.00 1.00 N ATOM 415 CA ALA A 29 3.163 -5.377 6.131 1.00 1.00 C ATOM 416 C ALA A 29 4.488 -6.130 6.049 1.00 1.00 C ATOM 417 O ALA A 29 5.394 -5.887 6.845 1.00 1.00 O ATOM 418 CB ALA A 29 2.032 -6.337 6.466 1.00 1.00 C ATOM 0 H ALA A 29 2.100 -5.062 4.356 1.00 1.00 H new ATOM 0 HA ALA A 29 3.254 -4.637 6.926 1.00 1.00 H new ATOM 0 HB1 ALA A 29 2.264 -6.864 7.391 1.00 1.00 H new ATOM 0 HB2 ALA A 29 1.105 -5.778 6.590 1.00 1.00 H new ATOM 0 HB3 ALA A 29 1.915 -7.058 5.657 1.00 1.00 H new ATOM 424 N TYR A 30 4.595 -7.062 5.103 1.00 1.00 N ATOM 425 CA TYR A 30 5.810 -7.850 4.964 1.00 1.00 C ATOM 426 C TYR A 30 6.086 -8.247 3.513 1.00 1.00 C ATOM 427 O TYR A 30 6.861 -9.168 3.259 1.00 1.00 O ATOM 428 CB TYR A 30 5.698 -9.105 5.821 1.00 1.00 C ATOM 429 CG TYR A 30 6.016 -8.878 7.282 1.00 1.00 C ATOM 430 CD1 TYR A 30 7.319 -8.964 7.754 1.00 1.00 C ATOM 431 CD2 TYR A 30 5.008 -8.576 8.189 1.00 1.00 C ATOM 432 CE1 TYR A 30 7.609 -8.756 9.090 1.00 1.00 C ATOM 433 CE2 TYR A 30 5.289 -8.365 9.525 1.00 1.00 C ATOM 434 CZ TYR A 30 6.591 -8.457 9.970 1.00 1.00 C ATOM 435 OH TYR A 30 6.876 -8.249 11.300 1.00 1.00 O ATOM 0 H TYR A 30 3.862 -7.285 4.430 1.00 1.00 H new ATOM 0 HA TYR A 30 6.643 -7.231 5.297 1.00 1.00 H new ATOM 0 HB2 TYR A 30 4.686 -9.502 5.737 1.00 1.00 H new ATOM 0 HB3 TYR A 30 6.373 -9.865 5.426 1.00 1.00 H new ATOM 0 HD1 TYR A 30 8.119 -9.197 7.067 1.00 1.00 H new ATOM 0 HD2 TYR A 30 3.987 -8.505 7.844 1.00 1.00 H new ATOM 0 HE1 TYR A 30 8.628 -8.827 9.442 1.00 1.00 H new ATOM 0 HE2 TYR A 30 4.494 -8.129 10.217 1.00 1.00 H new ATOM 0 HH TYR A 30 6.048 -8.047 11.784 1.00 1.00 H new ATOM 445 N TYR A 31 5.458 -7.560 2.564 1.00 1.00 N ATOM 446 CA TYR A 31 5.663 -7.873 1.152 1.00 1.00 C ATOM 447 C TYR A 31 6.462 -6.776 0.454 1.00 1.00 C ATOM 448 O TYR A 31 7.273 -7.055 -0.428 1.00 1.00 O ATOM 449 CB TYR A 31 4.322 -8.083 0.449 1.00 1.00 C ATOM 450 CG TYR A 31 4.263 -9.353 -0.369 1.00 1.00 C ATOM 451 CD1 TYR A 31 4.466 -10.593 0.226 1.00 1.00 C ATOM 452 CD2 TYR A 31 4.004 -9.316 -1.734 1.00 1.00 C ATOM 453 CE1 TYR A 31 4.413 -11.758 -0.515 1.00 1.00 C ATOM 454 CE2 TYR A 31 3.949 -10.477 -2.482 1.00 1.00 C ATOM 455 CZ TYR A 31 4.155 -11.695 -1.868 1.00 1.00 C ATOM 456 OH TYR A 31 4.101 -12.853 -2.610 1.00 1.00 O ATOM 0 H TYR A 31 4.811 -6.792 2.742 1.00 1.00 H new ATOM 0 HA TYR A 31 6.237 -8.798 1.095 1.00 1.00 H new ATOM 0 HB2 TYR A 31 3.528 -8.104 1.196 1.00 1.00 H new ATOM 0 HB3 TYR A 31 4.125 -7.231 -0.202 1.00 1.00 H new ATOM 0 HD1 TYR A 31 4.669 -10.647 1.285 1.00 1.00 H new ATOM 0 HD2 TYR A 31 3.843 -8.364 -2.218 1.00 1.00 H new ATOM 0 HE1 TYR A 31 4.573 -12.713 -0.037 1.00 1.00 H new ATOM 0 HE2 TYR A 31 3.746 -10.431 -3.542 1.00 1.00 H new ATOM 0 HH TYR A 31 3.908 -12.633 -3.545 1.00 1.00 H new ATOM 466 N CYS A 32 6.238 -5.529 0.857 1.00 1.00 N ATOM 467 CA CYS A 32 6.949 -4.402 0.267 1.00 1.00 C ATOM 468 C CYS A 32 8.384 -4.347 0.781 1.00 1.00 C ATOM 469 O CYS A 32 8.647 -3.814 1.860 1.00 1.00 O ATOM 470 CB CYS A 32 6.231 -3.088 0.581 1.00 1.00 C ATOM 471 SG CYS A 32 6.589 -1.746 -0.601 1.00 1.00 S ATOM 0 H CYS A 32 5.572 -5.275 1.587 1.00 1.00 H new ATOM 0 HA CYS A 32 6.968 -4.541 -0.814 1.00 1.00 H new ATOM 0 HB2 CYS A 32 5.156 -3.268 0.596 1.00 1.00 H new ATOM 0 HB3 CYS A 32 6.514 -2.762 1.582 1.00 1.00 H new ATOM 476 N SER A 33 9.309 -4.903 0.001 1.00 1.00 N ATOM 477 CA SER A 33 10.722 -4.925 0.373 1.00 1.00 C ATOM 478 C SER A 33 10.906 -5.340 1.832 1.00 1.00 C ATOM 479 O SER A 33 9.967 -5.807 2.478 1.00 1.00 O ATOM 480 CB SER A 33 11.351 -3.550 0.141 1.00 1.00 C ATOM 481 OG SER A 33 11.005 -3.039 -1.134 1.00 1.00 O ATOM 0 H SER A 33 9.104 -5.345 -0.895 1.00 1.00 H new ATOM 0 HA SER A 33 11.221 -5.662 -0.256 1.00 1.00 H new ATOM 0 HB2 SER A 33 11.018 -2.859 0.916 1.00 1.00 H new ATOM 0 HB3 SER A 33 12.435 -3.624 0.224 1.00 1.00 H new ATOM 0 HG SER A 33 11.418 -2.159 -1.257 1.00 1.00 H new ATOM 487 N HIS A 34 12.120 -5.169 2.344 1.00 1.00 N ATOM 488 CA HIS A 34 12.424 -5.527 3.724 1.00 1.00 C ATOM 489 C HIS A 34 12.096 -4.376 4.669 1.00 1.00 C ATOM 490 O HIS A 34 12.989 -3.667 5.135 1.00 1.00 O ATOM 491 CB HIS A 34 13.898 -5.912 3.860 1.00 1.00 C ATOM 492 CG HIS A 34 14.175 -7.345 3.528 1.00 1.00 C ATOM 493 ND1 HIS A 34 15.142 -7.735 2.624 1.00 1.00 N ATOM 494 CD2 HIS A 34 13.606 -8.487 3.982 1.00 1.00 C ATOM 495 CE1 HIS A 34 15.154 -9.054 2.537 1.00 1.00 C ATOM 496 NE2 HIS A 34 14.232 -9.534 3.351 1.00 1.00 N ATOM 0 H HIS A 34 12.909 -4.785 1.824 1.00 1.00 H new ATOM 0 HA HIS A 34 11.807 -6.383 3.996 1.00 1.00 H new ATOM 0 HB2 HIS A 34 14.493 -5.274 3.206 1.00 1.00 H new ATOM 0 HB3 HIS A 34 14.224 -5.715 4.881 1.00 1.00 H new ATOM 0 HD2 HIS A 34 12.808 -8.561 4.706 1.00 1.00 H new ATOM 0 HE1 HIS A 34 15.807 -9.640 1.907 1.00 1.00 H new ATOM 0 HE2 HIS A 34 14.019 -10.522 3.489 1.00 1.00 H new ATOM 505 N ARG A 35 10.809 -4.196 4.947 1.00 1.00 N ATOM 506 CA ARG A 35 10.362 -3.130 5.837 1.00 1.00 C ATOM 507 C ARG A 35 10.602 -3.503 7.296 1.00 1.00 C ATOM 508 O ARG A 35 9.966 -4.413 7.827 1.00 1.00 O ATOM 509 CB ARG A 35 8.877 -2.839 5.609 1.00 1.00 C ATOM 510 CG ARG A 35 8.509 -1.376 5.792 1.00 1.00 C ATOM 511 CD ARG A 35 7.830 -1.133 7.131 1.00 1.00 C ATOM 512 NE ARG A 35 8.371 0.041 7.813 1.00 1.00 N ATOM 513 CZ ARG A 35 8.095 1.295 7.462 1.00 1.00 C ATOM 514 NH1 ARG A 35 7.284 1.542 6.441 1.00 1.00 N ATOM 515 NH2 ARG A 35 8.631 2.304 8.135 1.00 1.00 N ATOM 0 H ARG A 35 10.058 -4.774 4.569 1.00 1.00 H new ATOM 0 HA ARG A 35 10.940 -2.234 5.611 1.00 1.00 H new ATOM 0 HB2 ARG A 35 8.605 -3.150 4.600 1.00 1.00 H new ATOM 0 HB3 ARG A 35 8.287 -3.443 6.299 1.00 1.00 H new ATOM 0 HG2 ARG A 35 9.407 -0.763 5.722 1.00 1.00 H new ATOM 0 HG3 ARG A 35 7.846 -1.063 4.985 1.00 1.00 H new ATOM 0 HD2 ARG A 35 6.759 -1.001 6.976 1.00 1.00 H new ATOM 0 HD3 ARG A 35 7.955 -2.011 7.765 1.00 1.00 H new ATOM 0 HE ARG A 35 8.997 -0.109 8.604 1.00 1.00 H new ATOM 0 HH11 ARG A 35 6.869 0.769 5.921 1.00 1.00 H new ATOM 0 HH12 ARG A 35 7.076 2.505 6.176 1.00 1.00 H new ATOM 0 HH21 ARG A 35 9.254 2.119 8.921 1.00 1.00 H new ATOM 0 HH22 ARG A 35 8.420 3.265 7.867 1.00 1.00 H new ATOM 529 N ILE A 36 11.526 -2.795 7.937 1.00 1.00 N ATOM 530 CA ILE A 36 11.852 -3.053 9.334 1.00 1.00 C ATOM 531 C ILE A 36 12.198 -1.759 10.065 1.00 1.00 C ATOM 532 O ILE A 36 12.014 -1.711 11.300 1.00 1.00 O ATOM 533 CB ILE A 36 13.031 -4.040 9.461 1.00 1.00 C ATOM 534 CG1 ILE A 36 13.304 -4.363 10.932 1.00 1.00 C ATOM 535 CG2 ILE A 36 14.276 -3.472 8.795 1.00 1.00 C ATOM 536 CD1 ILE A 36 13.783 -5.779 11.162 1.00 1.00 C ATOM 537 OXT ILE A 36 12.649 -0.805 9.397 1.00 1.00 O ATOM 0 H ILE A 36 12.062 -2.039 7.511 1.00 1.00 H new ATOM 0 HA ILE A 36 10.968 -3.497 9.792 1.00 1.00 H new ATOM 0 HB ILE A 36 12.763 -4.966 8.952 1.00 1.00 H new ATOM 0 HG12 ILE A 36 14.052 -3.669 11.315 1.00 1.00 H new ATOM 0 HG13 ILE A 36 12.392 -4.199 11.507 1.00 1.00 H new ATOM 0 HG21 ILE A 36 15.098 -4.181 8.894 1.00 1.00 H new ATOM 0 HG22 ILE A 36 14.075 -3.295 7.738 1.00 1.00 H new ATOM 0 HG23 ILE A 36 14.548 -2.532 9.275 1.00 1.00 H new ATOM 0 HD11 ILE A 36 13.956 -5.936 12.227 1.00 1.00 H new ATOM 0 HD12 ILE A 36 13.027 -6.481 10.810 1.00 1.00 H new ATOM 0 HD13 ILE A 36 14.712 -5.942 10.615 1.00 1.00 H new TER 549 ILE A 36 HETATM 550 ZN ZN A 37 5.427 -2.229 -2.525 1.00 1.00 ZN