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+ 179:sc= 0 (180deg=-0.00226) USER MOD Single : A 2 SER OG : rot 180:sc= -1.96! 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 -55:sc= 0.104 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 GLN : amide:sc= -0.365 X(o=-0.36,f=0) 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 -9.204 13.186 1.763 1.00 1.00 N ATOM 2 CA GLY A 1 -8.766 12.986 0.355 1.00 1.00 C ATOM 3 C GLY A 1 -7.622 13.902 -0.032 1.00 1.00 C ATOM 4 O GLY A 1 -7.627 14.491 -1.113 1.00 1.00 O ATOM 0 H1 GLY A 1 -9.999 12.549 1.973 1.00 1.00 H new ATOM 0 H2 GLY A 1 -8.413 12.977 2.406 1.00 1.00 H new ATOM 0 H3 GLY A 1 -9.507 14.172 1.896 1.00 1.00 H new ATOM 0 HA2 GLY A 1 -8.460 11.949 0.217 1.00 1.00 H new ATOM 0 HA3 GLY A 1 -9.609 13.161 -0.313 1.00 1.00 H new ATOM 10 N SER A 2 -6.637 14.023 0.852 1.00 1.00 N ATOM 11 CA SER A 2 -5.482 14.874 0.598 1.00 1.00 C ATOM 12 C SER A 2 -4.346 14.553 1.564 1.00 1.00 C ATOM 13 O SER A 2 -3.273 14.112 1.151 1.00 1.00 O ATOM 14 CB SER A 2 -5.871 16.348 0.722 1.00 1.00 C ATOM 15 OG SER A 2 -4.757 17.193 0.483 1.00 1.00 O ATOM 0 H SER A 2 -6.616 13.542 1.751 1.00 1.00 H new ATOM 0 HA SER A 2 -5.137 14.681 -0.418 1.00 1.00 H new ATOM 0 HB2 SER A 2 -6.665 16.579 0.012 1.00 1.00 H new ATOM 0 HB3 SER A 2 -6.269 16.539 1.718 1.00 1.00 H new ATOM 0 HG SER A 2 -5.033 18.130 0.567 1.00 1.00 H new ATOM 21 N LEU A 3 -4.590 14.776 2.852 1.00 1.00 N ATOM 22 CA LEU A 3 -3.587 14.509 3.876 1.00 1.00 C ATOM 23 C LEU A 3 -4.210 13.802 5.076 1.00 1.00 C ATOM 24 O LEU A 3 -5.373 14.029 5.407 1.00 1.00 O ATOM 25 CB LEU A 3 -2.926 15.813 4.326 1.00 1.00 C ATOM 26 CG LEU A 3 -3.888 16.978 4.571 1.00 1.00 C ATOM 27 CD1 LEU A 3 -3.435 17.804 5.765 1.00 1.00 C ATOM 28 CD2 LEU A 3 -3.997 17.849 3.329 1.00 1.00 C ATOM 0 H LEU A 3 -5.473 15.140 3.210 1.00 1.00 H new ATOM 0 HA LEU A 3 -2.829 13.856 3.444 1.00 1.00 H new ATOM 0 HB2 LEU A 3 -2.370 15.622 5.244 1.00 1.00 H new ATOM 0 HB3 LEU A 3 -2.200 16.114 3.570 1.00 1.00 H new ATOM 0 HG LEU A 3 -4.874 16.569 4.792 1.00 1.00 H new ATOM 0 HD11 LEU A 3 -4.132 18.627 5.923 1.00 1.00 H new ATOM 0 HD12 LEU A 3 -3.410 17.174 6.654 1.00 1.00 H new ATOM 0 HD13 LEU A 3 -2.439 18.203 5.574 1.00 1.00 H new ATOM 0 HD21 LEU A 3 -4.685 18.672 3.521 1.00 1.00 H new ATOM 0 HD22 LEU A 3 -3.015 18.248 3.077 1.00 1.00 H new ATOM 0 HD23 LEU A 3 -4.370 17.251 2.497 1.00 1.00 H new ATOM 40 N LEU A 4 -3.428 12.944 5.723 1.00 1.00 N ATOM 41 CA LEU A 4 -3.902 12.204 6.886 1.00 1.00 C ATOM 42 C LEU A 4 -5.094 11.322 6.520 1.00 1.00 C ATOM 43 O LEU A 4 -5.966 11.064 7.349 1.00 1.00 O ATOM 44 CB LEU A 4 -4.288 13.172 8.009 1.00 1.00 C ATOM 45 CG LEU A 4 -3.420 13.081 9.266 1.00 1.00 C ATOM 46 CD1 LEU A 4 -3.566 11.714 9.918 1.00 1.00 C ATOM 47 CD2 LEU A 4 -1.963 13.359 8.928 1.00 1.00 C ATOM 0 H LEU A 4 -2.463 12.744 5.461 1.00 1.00 H new ATOM 0 HA LEU A 4 -3.093 11.561 7.234 1.00 1.00 H new ATOM 0 HB2 LEU A 4 -4.238 14.190 7.624 1.00 1.00 H new ATOM 0 HB3 LEU A 4 -5.325 12.987 8.288 1.00 1.00 H new ATOM 0 HG LEU A 4 -3.759 13.837 9.974 1.00 1.00 H new ATOM 0 HD11 LEU A 4 -2.942 11.668 10.810 1.00 1.00 H new ATOM 0 HD12 LEU A 4 -4.608 11.553 10.195 1.00 1.00 H new ATOM 0 HD13 LEU A 4 -3.254 10.941 9.216 1.00 1.00 H new ATOM 0 HD21 LEU A 4 -1.360 13.290 9.833 1.00 1.00 H new ATOM 0 HD22 LEU A 4 -1.612 12.626 8.201 1.00 1.00 H new ATOM 0 HD23 LEU A 4 -1.872 14.360 8.507 1.00 1.00 H new ATOM 59 N LYS A 5 -5.121 10.861 5.273 1.00 1.00 N ATOM 60 CA LYS A 5 -6.203 10.008 4.797 1.00 1.00 C ATOM 61 C LYS A 5 -5.860 9.408 3.433 1.00 1.00 C ATOM 62 O LYS A 5 -5.964 10.082 2.407 1.00 1.00 O ATOM 63 CB LYS A 5 -7.506 10.807 4.705 1.00 1.00 C ATOM 64 CG LYS A 5 -8.650 10.199 5.500 1.00 1.00 C ATOM 65 CD LYS A 5 -9.106 8.880 4.898 1.00 1.00 C ATOM 66 CE LYS A 5 -9.593 7.918 5.969 1.00 1.00 C ATOM 67 NZ LYS A 5 -11.060 8.033 6.195 1.00 1.00 N ATOM 0 H LYS A 5 -4.406 11.064 4.575 1.00 1.00 H new ATOM 0 HA LYS A 5 -6.335 9.194 5.510 1.00 1.00 H new ATOM 0 HB2 LYS A 5 -7.326 11.821 5.061 1.00 1.00 H new ATOM 0 HB3 LYS A 5 -7.802 10.884 3.659 1.00 1.00 H new ATOM 0 HG2 LYS A 5 -8.334 10.040 6.531 1.00 1.00 H new ATOM 0 HG3 LYS A 5 -9.487 10.897 5.527 1.00 1.00 H new ATOM 0 HD2 LYS A 5 -9.906 9.063 4.181 1.00 1.00 H new ATOM 0 HD3 LYS A 5 -8.282 8.426 4.347 1.00 1.00 H new ATOM 0 HE2 LYS A 5 -9.350 6.896 5.677 1.00 1.00 H new ATOM 0 HE3 LYS A 5 -9.066 8.117 6.902 1.00 1.00 H new ATOM 0 HZ1 LYS A 5 -11.351 7.360 6.933 1.00 1.00 H new ATOM 0 HZ2 LYS A 5 -11.290 9.001 6.499 1.00 1.00 H new ATOM 0 HZ3 LYS A 5 -11.565 7.818 5.312 1.00 1.00 H new ATOM 81 N PRO A 6 -5.443 8.128 3.398 1.00 1.00 N ATOM 82 CA PRO A 6 -5.086 7.451 2.147 1.00 1.00 C ATOM 83 C PRO A 6 -6.295 7.219 1.247 1.00 1.00 C ATOM 84 O PRO A 6 -7.413 7.035 1.729 1.00 1.00 O ATOM 85 CB PRO A 6 -4.505 6.114 2.616 1.00 1.00 C ATOM 86 CG PRO A 6 -5.111 5.884 3.956 1.00 1.00 C ATOM 87 CD PRO A 6 -5.286 7.245 4.570 1.00 1.00 C ATOM 0 HA PRO A 6 -4.395 8.044 1.548 1.00 1.00 H new ATOM 0 HB2 PRO A 6 -4.757 5.309 1.925 1.00 1.00 H new ATOM 0 HB3 PRO A 6 -3.417 6.155 2.676 1.00 1.00 H new ATOM 0 HG2 PRO A 6 -6.068 5.369 3.868 1.00 1.00 H new ATOM 0 HG3 PRO A 6 -4.467 5.257 4.573 1.00 1.00 H new ATOM 0 HD2 PRO A 6 -6.159 7.283 5.222 1.00 1.00 H new ATOM 0 HD3 PRO A 6 -4.424 7.528 5.174 1.00 1.00 H new ATOM 95 N ALA A 7 -6.062 7.230 -0.061 1.00 1.00 N ATOM 96 CA ALA A 7 -7.133 7.021 -1.028 1.00 1.00 C ATOM 97 C ALA A 7 -6.594 6.427 -2.326 1.00 1.00 C ATOM 98 O ALA A 7 -7.126 6.683 -3.406 1.00 1.00 O ATOM 99 CB ALA A 7 -7.855 8.331 -1.305 1.00 1.00 C ATOM 0 H ALA A 7 -5.142 7.381 -0.475 1.00 1.00 H new ATOM 0 HA ALA A 7 -7.841 6.311 -0.601 1.00 1.00 H new ATOM 0 HB1 ALA A 7 -8.652 8.161 -2.029 1.00 1.00 H new ATOM 0 HB2 ALA A 7 -8.282 8.714 -0.378 1.00 1.00 H new ATOM 0 HB3 ALA A 7 -7.149 9.058 -1.707 1.00 1.00 H new ATOM 105 N ARG A 8 -5.536 5.630 -2.212 1.00 1.00 N ATOM 106 CA ARG A 8 -4.926 4.997 -3.375 1.00 1.00 C ATOM 107 C ARG A 8 -4.750 3.499 -3.148 1.00 1.00 C ATOM 108 O ARG A 8 -4.863 3.014 -2.022 1.00 1.00 O ATOM 109 CB ARG A 8 -3.573 5.642 -3.683 1.00 1.00 C ATOM 110 CG ARG A 8 -3.156 5.512 -5.139 1.00 1.00 C ATOM 111 CD ARG A 8 -2.815 6.862 -5.749 1.00 1.00 C ATOM 112 NE ARG A 8 -1.516 7.355 -5.297 1.00 1.00 N ATOM 113 CZ ARG A 8 -0.825 8.305 -5.924 1.00 1.00 C ATOM 114 NH1 ARG A 8 -1.305 8.868 -7.026 1.00 1.00 N ATOM 115 NH2 ARG A 8 0.349 8.694 -5.445 1.00 1.00 N ATOM 0 H ARG A 8 -5.084 5.407 -1.325 1.00 1.00 H new ATOM 0 HA ARG A 8 -5.590 5.141 -4.227 1.00 1.00 H new ATOM 0 HB2 ARG A 8 -3.615 6.699 -3.418 1.00 1.00 H new ATOM 0 HB3 ARG A 8 -2.810 5.185 -3.053 1.00 1.00 H new ATOM 0 HG2 ARG A 8 -2.292 4.851 -5.213 1.00 1.00 H new ATOM 0 HG3 ARG A 8 -3.962 5.049 -5.708 1.00 1.00 H new ATOM 0 HD2 ARG A 8 -2.813 6.778 -6.836 1.00 1.00 H new ATOM 0 HD3 ARG A 8 -3.588 7.584 -5.486 1.00 1.00 H new ATOM 0 HE ARG A 8 -1.115 6.948 -4.452 1.00 1.00 H new ATOM 0 HH11 ARG A 8 -2.208 8.573 -7.397 1.00 1.00 H new ATOM 0 HH12 ARG A 8 -0.771 9.595 -7.501 1.00 1.00 H new ATOM 0 HH21 ARG A 8 0.721 8.266 -4.598 1.00 1.00 H new ATOM 0 HH22 ARG A 8 0.880 9.422 -5.924 1.00 1.00 H new ATOM 129 N PHE A 9 -4.476 2.768 -4.224 1.00 1.00 N ATOM 130 CA PHE A 9 -4.290 1.323 -4.137 1.00 1.00 C ATOM 131 C PHE A 9 -3.396 0.815 -5.266 1.00 1.00 C ATOM 132 O PHE A 9 -3.813 -0.010 -6.079 1.00 1.00 O ATOM 133 CB PHE A 9 -5.643 0.605 -4.176 1.00 1.00 C ATOM 134 CG PHE A 9 -6.658 1.269 -5.064 1.00 1.00 C ATOM 135 CD1 PHE A 9 -6.307 1.715 -6.328 1.00 1.00 C ATOM 136 CD2 PHE A 9 -7.962 1.448 -4.631 1.00 1.00 C ATOM 137 CE1 PHE A 9 -7.240 2.325 -7.145 1.00 1.00 C ATOM 138 CE2 PHE A 9 -8.898 2.058 -5.443 1.00 1.00 C ATOM 139 CZ PHE A 9 -8.537 2.498 -6.702 1.00 1.00 C ATOM 0 H PHE A 9 -4.378 3.151 -5.164 1.00 1.00 H new ATOM 0 HA PHE A 9 -3.801 1.106 -3.188 1.00 1.00 H new ATOM 0 HB2 PHE A 9 -5.490 -0.419 -4.517 1.00 1.00 H new ATOM 0 HB3 PHE A 9 -6.042 0.548 -3.163 1.00 1.00 H new ATOM 0 HD1 PHE A 9 -5.294 1.585 -6.678 1.00 1.00 H new ATOM 0 HD2 PHE A 9 -8.250 1.107 -3.648 1.00 1.00 H new ATOM 0 HE1 PHE A 9 -6.955 2.666 -8.129 1.00 1.00 H new ATOM 0 HE2 PHE A 9 -9.911 2.191 -5.094 1.00 1.00 H new ATOM 0 HZ PHE A 9 -9.267 2.976 -7.338 1.00 1.00 H new ATOM 149 N MET A 10 -2.164 1.312 -5.308 1.00 1.00 N ATOM 150 CA MET A 10 -1.210 0.908 -6.335 1.00 1.00 C ATOM 151 C MET A 10 0.218 1.231 -5.908 1.00 1.00 C ATOM 152 O MET A 10 0.567 2.395 -5.710 1.00 1.00 O ATOM 153 CB MET A 10 -1.527 1.606 -7.660 1.00 1.00 C ATOM 154 CG MET A 10 -2.758 1.054 -8.361 1.00 1.00 C ATOM 155 SD MET A 10 -2.887 1.600 -10.074 1.00 1.00 S ATOM 156 CE MET A 10 -4.657 1.833 -10.223 1.00 1.00 C ATOM 0 H MET A 10 -1.803 1.995 -4.643 1.00 1.00 H new ATOM 0 HA MET A 10 -1.296 -0.170 -6.470 1.00 1.00 H new ATOM 0 HB2 MET A 10 -1.672 2.670 -7.475 1.00 1.00 H new ATOM 0 HB3 MET A 10 -0.668 1.512 -8.325 1.00 1.00 H new ATOM 0 HG2 MET A 10 -2.729 -0.035 -8.332 1.00 1.00 H new ATOM 0 HG3 MET A 10 -3.650 1.364 -7.817 1.00 1.00 H new ATOM 0 HE1 MET A 10 -4.896 2.172 -11.231 1.00 1.00 H new ATOM 0 HE2 MET A 10 -5.166 0.889 -10.027 1.00 1.00 H new ATOM 0 HE3 MET A 10 -4.988 2.580 -9.502 1.00 1.00 H new ATOM 166 N CYS A 11 1.041 0.196 -5.769 1.00 1.00 N ATOM 167 CA CYS A 11 2.431 0.376 -5.366 1.00 1.00 C ATOM 168 C CYS A 11 3.315 0.649 -6.580 1.00 1.00 C ATOM 169 O CYS A 11 3.911 -0.268 -7.144 1.00 1.00 O ATOM 170 CB CYS A 11 2.939 -0.859 -4.616 1.00 1.00 C ATOM 171 SG CYS A 11 4.280 -0.504 -3.431 1.00 1.00 S ATOM 0 H CYS A 11 0.770 -0.774 -5.929 1.00 1.00 H new ATOM 0 HA CYS A 11 2.479 1.237 -4.699 1.00 1.00 H new ATOM 0 HB2 CYS A 11 2.106 -1.315 -4.081 1.00 1.00 H new ATOM 0 HB3 CYS A 11 3.292 -1.592 -5.341 1.00 1.00 H new ATOM 176 N LEU A 12 3.395 1.916 -6.976 1.00 1.00 N ATOM 177 CA LEU A 12 4.206 2.314 -8.127 1.00 1.00 C ATOM 178 C LEU A 12 5.639 1.793 -8.003 1.00 1.00 C ATOM 179 O LEU A 12 6.194 1.258 -8.962 1.00 1.00 O ATOM 180 CB LEU A 12 4.218 3.838 -8.283 1.00 1.00 C ATOM 181 CG LEU A 12 2.910 4.545 -7.915 1.00 1.00 C ATOM 182 CD1 LEU A 12 2.995 5.133 -6.513 1.00 1.00 C ATOM 183 CD2 LEU A 12 2.586 5.631 -8.931 1.00 1.00 C ATOM 0 H LEU A 12 2.909 2.687 -6.518 1.00 1.00 H new ATOM 0 HA LEU A 12 3.754 1.871 -9.014 1.00 1.00 H new ATOM 0 HB2 LEU A 12 5.018 4.244 -7.663 1.00 1.00 H new ATOM 0 HB3 LEU A 12 4.463 4.079 -9.317 1.00 1.00 H new ATOM 0 HG LEU A 12 2.106 3.809 -7.930 1.00 1.00 H new ATOM 0 HD11 LEU A 12 2.056 5.631 -6.270 1.00 1.00 H new ATOM 0 HD12 LEU A 12 3.179 4.335 -5.794 1.00 1.00 H new ATOM 0 HD13 LEU A 12 3.811 5.855 -6.470 1.00 1.00 H new ATOM 0 HD21 LEU A 12 1.654 6.122 -8.653 1.00 1.00 H new ATOM 0 HD22 LEU A 12 3.392 6.365 -8.949 1.00 1.00 H new ATOM 0 HD23 LEU A 12 2.480 5.184 -9.920 1.00 1.00 H new ATOM 195 N PRO A 13 6.262 1.940 -6.818 1.00 1.00 N ATOM 196 CA PRO A 13 7.636 1.476 -6.587 1.00 1.00 C ATOM 197 C PRO A 13 7.800 -0.023 -6.833 1.00 1.00 C ATOM 198 O PRO A 13 8.920 -0.526 -6.924 1.00 1.00 O ATOM 199 CB PRO A 13 7.888 1.802 -5.111 1.00 1.00 C ATOM 200 CG PRO A 13 6.892 2.857 -4.772 1.00 1.00 C ATOM 201 CD PRO A 13 5.685 2.566 -5.615 1.00 1.00 C ATOM 0 HA PRO A 13 8.338 1.955 -7.269 1.00 1.00 H new ATOM 0 HB2 PRO A 13 7.757 0.920 -4.484 1.00 1.00 H new ATOM 0 HB3 PRO A 13 8.907 2.156 -4.954 1.00 1.00 H new ATOM 0 HG2 PRO A 13 6.643 2.833 -3.711 1.00 1.00 H new ATOM 0 HG3 PRO A 13 7.287 3.850 -4.984 1.00 1.00 H new ATOM 0 HD2 PRO A 13 4.990 1.898 -5.107 1.00 1.00 H new ATOM 0 HD3 PRO A 13 5.134 3.475 -5.858 1.00 1.00 H new ATOM 209 N CYS A 14 6.679 -0.734 -6.940 1.00 1.00 N ATOM 210 CA CYS A 14 6.698 -2.165 -7.178 1.00 1.00 C ATOM 211 C CYS A 14 6.078 -2.480 -8.531 1.00 1.00 C ATOM 212 O CYS A 14 6.444 -3.460 -9.183 1.00 1.00 O ATOM 213 CB CYS A 14 5.930 -2.884 -6.072 1.00 1.00 C ATOM 214 SG CYS A 14 6.865 -3.086 -4.522 1.00 1.00 S ATOM 0 H CYS A 14 5.744 -0.334 -6.864 1.00 1.00 H new ATOM 0 HA CYS A 14 7.732 -2.510 -7.177 1.00 1.00 H new ATOM 0 HB2 CYS A 14 5.015 -2.330 -5.862 1.00 1.00 H new ATOM 0 HB3 CYS A 14 5.631 -3.868 -6.433 1.00 1.00 H new ATOM 219 N GLY A 15 5.139 -1.638 -8.950 1.00 1.00 N ATOM 220 CA GLY A 15 4.489 -1.832 -10.219 1.00 1.00 C ATOM 221 C GLY A 15 3.207 -2.637 -10.111 1.00 1.00 C ATOM 222 O GLY A 15 2.367 -2.600 -11.010 1.00 1.00 O ATOM 0 H GLY A 15 4.820 -0.823 -8.426 1.00 1.00 H new ATOM 0 HA2 GLY A 15 4.265 -0.860 -10.659 1.00 1.00 H new ATOM 0 HA3 GLY A 15 5.174 -2.339 -10.898 1.00 1.00 H new ATOM 226 N ILE A 16 3.051 -3.364 -9.007 1.00 1.00 N ATOM 227 CA ILE A 16 1.860 -4.176 -8.792 1.00 1.00 C ATOM 228 C ILE A 16 0.689 -3.316 -8.326 1.00 1.00 C ATOM 229 O ILE A 16 0.805 -2.564 -7.358 1.00 1.00 O ATOM 230 CB ILE A 16 2.115 -5.284 -7.751 1.00 1.00 C ATOM 231 CG1 ILE A 16 3.390 -6.059 -8.095 1.00 1.00 C ATOM 232 CG2 ILE A 16 0.919 -6.223 -7.675 1.00 1.00 C ATOM 233 CD1 ILE A 16 4.305 -6.271 -6.909 1.00 1.00 C ATOM 0 H ILE A 16 3.734 -3.406 -8.250 1.00 1.00 H new ATOM 0 HA ILE A 16 1.613 -4.637 -9.748 1.00 1.00 H new ATOM 0 HB ILE A 16 2.251 -4.820 -6.774 1.00 1.00 H new ATOM 0 HG12 ILE A 16 3.116 -7.029 -8.510 1.00 1.00 H new ATOM 0 HG13 ILE A 16 3.934 -5.522 -8.872 1.00 1.00 H new ATOM 0 HG21 ILE A 16 1.113 -7.000 -6.936 1.00 1.00 H new ATOM 0 HG22 ILE A 16 0.032 -5.660 -7.385 1.00 1.00 H new ATOM 0 HG23 ILE A 16 0.754 -6.682 -8.650 1.00 1.00 H new ATOM 0 HD11 ILE A 16 5.188 -6.826 -7.225 1.00 1.00 H new ATOM 0 HD12 ILE A 16 4.609 -5.305 -6.507 1.00 1.00 H new ATOM 0 HD13 ILE A 16 3.778 -6.835 -6.139 1.00 1.00 H new ATOM 245 N ALA A 17 -0.437 -3.430 -9.023 1.00 1.00 N ATOM 246 CA ALA A 17 -1.628 -2.661 -8.680 1.00 1.00 C ATOM 247 C ALA A 17 -2.713 -3.560 -8.096 1.00 1.00 C ATOM 248 O ALA A 17 -3.221 -4.456 -8.769 1.00 1.00 O ATOM 249 CB ALA A 17 -2.152 -1.926 -9.904 1.00 1.00 C ATOM 0 H ALA A 17 -0.550 -4.047 -9.828 1.00 1.00 H new ATOM 0 HA ALA A 17 -1.351 -1.929 -7.921 1.00 1.00 H new ATOM 0 HB1 ALA A 17 -3.041 -1.356 -9.633 1.00 1.00 H new ATOM 0 HB2 ALA A 17 -1.385 -1.247 -10.277 1.00 1.00 H new ATOM 0 HB3 ALA A 17 -2.406 -2.647 -10.681 1.00 1.00 H new ATOM 255 N PHE A 18 -3.061 -3.314 -6.837 1.00 1.00 N ATOM 256 CA PHE A 18 -4.073 -4.090 -6.153 1.00 1.00 C ATOM 257 C PHE A 18 -5.468 -3.545 -6.450 1.00 1.00 C ATOM 258 O PHE A 18 -5.640 -2.707 -7.334 1.00 1.00 O ATOM 259 CB PHE A 18 -3.796 -4.042 -4.655 1.00 1.00 C ATOM 260 CG PHE A 18 -2.663 -4.931 -4.224 1.00 1.00 C ATOM 261 CD1 PHE A 18 -2.741 -6.305 -4.389 1.00 1.00 C ATOM 262 CD2 PHE A 18 -1.520 -4.391 -3.658 1.00 1.00 C ATOM 263 CE1 PHE A 18 -1.699 -7.125 -3.997 1.00 1.00 C ATOM 264 CE2 PHE A 18 -0.474 -5.205 -3.263 1.00 1.00 C ATOM 265 CZ PHE A 18 -0.564 -6.573 -3.433 1.00 1.00 C ATOM 0 H PHE A 18 -2.648 -2.573 -6.270 1.00 1.00 H new ATOM 0 HA PHE A 18 -4.037 -5.121 -6.505 1.00 1.00 H new ATOM 0 HB2 PHE A 18 -3.570 -3.015 -4.368 1.00 1.00 H new ATOM 0 HB3 PHE A 18 -4.699 -4.332 -4.117 1.00 1.00 H new ATOM 0 HD1 PHE A 18 -3.626 -6.740 -4.829 1.00 1.00 H new ATOM 0 HD2 PHE A 18 -1.445 -3.322 -3.524 1.00 1.00 H new ATOM 0 HE1 PHE A 18 -1.772 -8.194 -4.131 1.00 1.00 H new ATOM 0 HE2 PHE A 18 0.412 -4.772 -2.822 1.00 1.00 H new ATOM 0 HZ PHE A 18 0.252 -7.211 -3.126 1.00 1.00 H new ATOM 275 N SER A 19 -6.463 -4.026 -5.709 1.00 1.00 N ATOM 276 CA SER A 19 -7.839 -3.582 -5.901 1.00 1.00 C ATOM 277 C SER A 19 -8.654 -3.758 -4.623 1.00 1.00 C ATOM 278 O SER A 19 -9.846 -4.063 -4.675 1.00 1.00 O ATOM 279 CB SER A 19 -8.491 -4.357 -7.046 1.00 1.00 C ATOM 280 OG SER A 19 -9.637 -3.680 -7.533 1.00 1.00 O ATOM 0 H SER A 19 -6.342 -4.721 -4.972 1.00 1.00 H new ATOM 0 HA SER A 19 -7.819 -2.522 -6.153 1.00 1.00 H new ATOM 0 HB2 SER A 19 -7.772 -4.490 -7.855 1.00 1.00 H new ATOM 0 HB3 SER A 19 -8.772 -5.352 -6.702 1.00 1.00 H new ATOM 0 HG SER A 19 -10.255 -3.508 -6.792 1.00 1.00 H new ATOM 286 N SER A 20 -8.008 -3.559 -3.478 1.00 1.00 N ATOM 287 CA SER A 20 -8.678 -3.692 -2.192 1.00 1.00 C ATOM 288 C SER A 20 -7.844 -3.068 -1.073 1.00 1.00 C ATOM 289 O SER A 20 -6.623 -3.211 -1.050 1.00 1.00 O ATOM 290 CB SER A 20 -8.948 -5.165 -1.882 1.00 1.00 C ATOM 291 OG SER A 20 -9.424 -5.330 -0.557 1.00 1.00 O ATOM 0 H SER A 20 -7.022 -3.305 -3.416 1.00 1.00 H new ATOM 0 HA SER A 20 -9.628 -3.161 -2.251 1.00 1.00 H new ATOM 0 HB2 SER A 20 -9.680 -5.559 -2.586 1.00 1.00 H new ATOM 0 HB3 SER A 20 -8.033 -5.742 -2.017 1.00 1.00 H new ATOM 0 HG SER A 20 -9.590 -6.280 -0.385 1.00 1.00 H new ATOM 297 N PRO A 21 -8.494 -2.361 -0.127 1.00 1.00 N ATOM 298 CA PRO A 21 -7.803 -1.714 0.992 1.00 1.00 C ATOM 299 C PRO A 21 -7.490 -2.681 2.132 1.00 1.00 C ATOM 300 O PRO A 21 -7.789 -2.406 3.294 1.00 1.00 O ATOM 301 CB PRO A 21 -8.813 -0.663 1.444 1.00 1.00 C ATOM 302 CG PRO A 21 -10.141 -1.271 1.147 1.00 1.00 C ATOM 303 CD PRO A 21 -9.952 -2.135 -0.076 1.00 1.00 C ATOM 0 HA PRO A 21 -6.833 -1.311 0.700 1.00 1.00 H new ATOM 0 HB2 PRO A 21 -8.707 -0.441 2.506 1.00 1.00 H new ATOM 0 HB3 PRO A 21 -8.677 0.276 0.907 1.00 1.00 H new ATOM 0 HG2 PRO A 21 -10.494 -1.864 1.991 1.00 1.00 H new ATOM 0 HG3 PRO A 21 -10.889 -0.499 0.965 1.00 1.00 H new ATOM 0 HD2 PRO A 21 -10.499 -3.074 0.009 1.00 1.00 H new ATOM 0 HD3 PRO A 21 -10.311 -1.637 -0.977 1.00 1.00 H new ATOM 311 N SER A 22 -6.878 -3.807 1.789 1.00 1.00 N ATOM 312 CA SER A 22 -6.507 -4.817 2.773 1.00 1.00 C ATOM 313 C SER A 22 -5.192 -5.466 2.372 1.00 1.00 C ATOM 314 O SER A 22 -4.263 -5.562 3.175 1.00 1.00 O ATOM 315 CB SER A 22 -7.603 -5.876 2.899 1.00 1.00 C ATOM 316 OG SER A 22 -7.461 -6.617 4.100 1.00 1.00 O ATOM 0 H SER A 22 -6.626 -4.045 0.830 1.00 1.00 H new ATOM 0 HA SER A 22 -6.387 -4.334 3.743 1.00 1.00 H new ATOM 0 HB2 SER A 22 -8.581 -5.396 2.878 1.00 1.00 H new ATOM 0 HB3 SER A 22 -7.561 -6.551 2.044 1.00 1.00 H new ATOM 0 HG SER A 22 -8.175 -7.286 4.158 1.00 1.00 H new ATOM 322 N THR A 23 -5.110 -5.887 1.115 1.00 1.00 N ATOM 323 CA THR A 23 -3.894 -6.500 0.604 1.00 1.00 C ATOM 324 C THR A 23 -2.759 -5.489 0.648 1.00 1.00 C ATOM 325 O THR A 23 -1.595 -5.847 0.826 1.00 1.00 O ATOM 326 CB THR A 23 -4.102 -7.004 -0.826 1.00 1.00 C ATOM 327 OG1 THR A 23 -5.253 -7.824 -0.905 1.00 1.00 O ATOM 328 CG2 THR A 23 -2.931 -7.804 -1.354 1.00 1.00 C ATOM 0 H THR A 23 -5.868 -5.815 0.436 1.00 1.00 H new ATOM 0 HA THR A 23 -3.639 -7.355 1.230 1.00 1.00 H new ATOM 0 HB THR A 23 -4.213 -6.107 -1.436 1.00 1.00 H new ATOM 0 HG1 THR A 23 -5.370 -8.135 -1.827 1.00 1.00 H new ATOM 0 HG21 THR A 23 -3.143 -8.131 -2.372 1.00 1.00 H new ATOM 0 HG22 THR A 23 -2.035 -7.183 -1.352 1.00 1.00 H new ATOM 0 HG23 THR A 23 -2.770 -8.675 -0.719 1.00 1.00 H new ATOM 336 N LEU A 24 -3.115 -4.213 0.509 1.00 1.00 N ATOM 337 CA LEU A 24 -2.141 -3.139 0.558 1.00 1.00 C ATOM 338 C LEU A 24 -1.486 -3.115 1.924 1.00 1.00 C ATOM 339 O LEU A 24 -0.266 -3.012 2.047 1.00 1.00 O ATOM 340 CB LEU A 24 -2.814 -1.793 0.280 1.00 1.00 C ATOM 341 CG LEU A 24 -3.965 -1.824 -0.726 1.00 1.00 C ATOM 342 CD1 LEU A 24 -4.409 -0.411 -1.071 1.00 1.00 C ATOM 343 CD2 LEU A 24 -3.559 -2.579 -1.982 1.00 1.00 C ATOM 0 H LEU A 24 -4.076 -3.903 0.361 1.00 1.00 H new ATOM 0 HA LEU A 24 -1.384 -3.312 -0.207 1.00 1.00 H new ATOM 0 HB2 LEU A 24 -3.190 -1.394 1.222 1.00 1.00 H new ATOM 0 HB3 LEU A 24 -2.057 -1.097 -0.082 1.00 1.00 H new ATOM 0 HG LEU A 24 -4.806 -2.347 -0.270 1.00 1.00 H new ATOM 0 HD11 LEU A 24 -5.229 -0.452 -1.788 1.00 1.00 H new ATOM 0 HD12 LEU A 24 -4.744 0.096 -0.166 1.00 1.00 H new ATOM 0 HD13 LEU A 24 -3.573 0.137 -1.506 1.00 1.00 H new ATOM 0 HD21 LEU A 24 -4.392 -2.590 -2.685 1.00 1.00 H new ATOM 0 HD22 LEU A 24 -2.702 -2.086 -2.442 1.00 1.00 H new ATOM 0 HD23 LEU A 24 -3.292 -3.603 -1.721 1.00 1.00 H new ATOM 355 N GLU A 25 -2.314 -3.238 2.949 1.00 1.00 N ATOM 356 CA GLU A 25 -1.831 -3.261 4.318 1.00 1.00 C ATOM 357 C GLU A 25 -0.974 -4.497 4.539 1.00 1.00 C ATOM 358 O GLU A 25 -0.036 -4.488 5.337 1.00 1.00 O ATOM 359 CB GLU A 25 -3.008 -3.234 5.297 1.00 1.00 C ATOM 360 CG GLU A 25 -2.721 -2.464 6.575 1.00 1.00 C ATOM 361 CD GLU A 25 -3.911 -2.426 7.513 1.00 1.00 C ATOM 362 OE1 GLU A 25 -4.883 -1.705 7.210 1.00 1.00 O ATOM 363 OE2 GLU A 25 -3.869 -3.118 8.552 1.00 1.00 O ATOM 0 H GLU A 25 -3.326 -3.324 2.857 1.00 1.00 H new ATOM 0 HA GLU A 25 -1.221 -2.376 4.498 1.00 1.00 H new ATOM 0 HB2 GLU A 25 -3.871 -2.790 4.802 1.00 1.00 H new ATOM 0 HB3 GLU A 25 -3.280 -4.258 5.553 1.00 1.00 H new ATOM 0 HG2 GLU A 25 -1.874 -2.920 7.087 1.00 1.00 H new ATOM 0 HG3 GLU A 25 -2.429 -1.444 6.323 1.00 1.00 H new ATOM 370 N ALA A 26 -1.294 -5.555 3.803 1.00 1.00 N ATOM 371 CA ALA A 26 -0.554 -6.792 3.883 1.00 1.00 C ATOM 372 C ALA A 26 0.773 -6.649 3.157 1.00 1.00 C ATOM 373 O ALA A 26 1.791 -7.203 3.571 1.00 1.00 O ATOM 374 CB ALA A 26 -1.366 -7.941 3.304 1.00 1.00 C ATOM 0 H ALA A 26 -2.070 -5.572 3.141 1.00 1.00 H new ATOM 0 HA ALA A 26 -0.356 -7.017 4.931 1.00 1.00 H new ATOM 0 HB1 ALA A 26 -0.791 -8.864 3.374 1.00 1.00 H new ATOM 0 HB2 ALA A 26 -2.295 -8.049 3.864 1.00 1.00 H new ATOM 0 HB3 ALA A 26 -1.595 -7.734 2.259 1.00 1.00 H new ATOM 380 N HIS A 27 0.746 -5.883 2.072 1.00 1.00 N ATOM 381 CA HIS A 27 1.936 -5.631 1.274 1.00 1.00 C ATOM 382 C HIS A 27 2.848 -4.663 2.006 1.00 1.00 C ATOM 383 O HIS A 27 4.048 -4.902 2.149 1.00 1.00 O ATOM 384 CB HIS A 27 1.536 -5.062 -0.089 1.00 1.00 C ATOM 385 CG HIS A 27 2.693 -4.789 -0.998 1.00 1.00 C ATOM 386 ND1 HIS A 27 3.316 -5.751 -1.761 1.00 1.00 N ATOM 387 CD2 HIS A 27 3.334 -3.623 -1.268 1.00 1.00 C ATOM 388 CE1 HIS A 27 4.295 -5.155 -2.454 1.00 1.00 C ATOM 389 NE2 HIS A 27 4.347 -3.863 -2.192 1.00 1.00 N ATOM 0 H HIS A 27 -0.096 -5.423 1.724 1.00 1.00 H new ATOM 0 HA HIS A 27 2.472 -6.567 1.117 1.00 1.00 H new ATOM 0 HB2 HIS A 27 0.859 -5.762 -0.579 1.00 1.00 H new ATOM 0 HB3 HIS A 27 0.981 -4.136 0.064 1.00 1.00 H new ATOM 0 HD1 HIS A 27 3.075 -6.742 -1.793 1.00 1.00 H new ATOM 0 HD2 HIS A 27 3.096 -2.663 -0.835 1.00 1.00 H new ATOM 0 HE1 HIS A 27 4.956 -5.666 -3.138 1.00 1.00 H new ATOM 397 N GLN A 28 2.258 -3.582 2.492 1.00 1.00 N ATOM 398 CA GLN A 28 2.996 -2.580 3.243 1.00 1.00 C ATOM 399 C GLN A 28 3.408 -3.141 4.603 1.00 1.00 C ATOM 400 O GLN A 28 4.240 -2.559 5.300 1.00 1.00 O ATOM 401 CB GLN A 28 2.138 -1.325 3.430 1.00 1.00 C ATOM 402 CG GLN A 28 2.681 -0.103 2.709 1.00 1.00 C ATOM 403 CD GLN A 28 3.641 0.701 3.564 1.00 1.00 C ATOM 404 OE1 GLN A 28 3.462 1.904 3.756 1.00 1.00 O ATOM 405 NE2 GLN A 28 4.668 0.039 4.083 1.00 1.00 N ATOM 0 H GLN A 28 1.265 -3.376 2.379 1.00 1.00 H new ATOM 0 HA GLN A 28 3.894 -2.313 2.686 1.00 1.00 H new ATOM 0 HB2 GLN A 28 1.129 -1.529 3.072 1.00 1.00 H new ATOM 0 HB3 GLN A 28 2.060 -1.104 4.494 1.00 1.00 H new ATOM 0 HG2 GLN A 28 3.189 -0.419 1.798 1.00 1.00 H new ATOM 0 HG3 GLN A 28 1.850 0.534 2.405 1.00 1.00 H new ATOM 0 HE21 GLN A 28 4.778 -0.958 3.898 1.00 1.00 H new ATOM 0 HE22 GLN A 28 5.347 0.527 4.667 1.00 1.00 H new ATOM 414 N ALA A 29 2.810 -4.272 4.976 1.00 1.00 N ATOM 415 CA ALA A 29 3.099 -4.911 6.250 1.00 1.00 C ATOM 416 C ALA A 29 4.460 -5.602 6.248 1.00 1.00 C ATOM 417 O ALA A 29 5.320 -5.286 7.071 1.00 1.00 O ATOM 418 CB ALA A 29 2.005 -5.911 6.594 1.00 1.00 C ATOM 0 H ALA A 29 2.120 -4.763 4.408 1.00 1.00 H new ATOM 0 HA ALA A 29 3.129 -4.129 7.009 1.00 1.00 H new ATOM 0 HB1 ALA A 29 2.231 -6.384 7.550 1.00 1.00 H new ATOM 0 HB2 ALA A 29 1.048 -5.394 6.663 1.00 1.00 H new ATOM 0 HB3 ALA A 29 1.951 -6.673 5.816 1.00 1.00 H new ATOM 424 N TYR A 30 4.649 -6.560 5.343 1.00 1.00 N ATOM 425 CA TYR A 30 5.903 -7.292 5.284 1.00 1.00 C ATOM 426 C TYR A 30 6.210 -7.806 3.877 1.00 1.00 C ATOM 427 O TYR A 30 7.000 -8.737 3.715 1.00 1.00 O ATOM 428 CB TYR A 30 5.845 -8.468 6.251 1.00 1.00 C ATOM 429 CG TYR A 30 6.121 -8.091 7.690 1.00 1.00 C ATOM 430 CD1 TYR A 30 7.418 -8.065 8.187 1.00 1.00 C ATOM 431 CD2 TYR A 30 5.081 -7.763 8.550 1.00 1.00 C ATOM 432 CE1 TYR A 30 7.670 -7.721 9.502 1.00 1.00 C ATOM 433 CE2 TYR A 30 5.325 -7.419 9.866 1.00 1.00 C ATOM 434 CZ TYR A 30 6.620 -7.400 10.337 1.00 1.00 C ATOM 435 OH TYR A 30 6.868 -7.057 11.647 1.00 1.00 O ATOM 0 H TYR A 30 3.956 -6.842 4.650 1.00 1.00 H new ATOM 0 HA TYR A 30 6.701 -6.604 5.563 1.00 1.00 H new ATOM 0 HB2 TYR A 30 4.859 -8.929 6.189 1.00 1.00 H new ATOM 0 HB3 TYR A 30 6.569 -9.220 5.937 1.00 1.00 H new ATOM 0 HD1 TYR A 30 8.242 -8.317 7.536 1.00 1.00 H new ATOM 0 HD2 TYR A 30 4.065 -7.777 8.184 1.00 1.00 H new ATOM 0 HE1 TYR A 30 8.684 -7.704 9.874 1.00 1.00 H new ATOM 0 HE2 TYR A 30 4.505 -7.166 10.522 1.00 1.00 H new ATOM 0 HH TYR A 30 6.021 -6.858 12.099 1.00 1.00 H new ATOM 445 N TYR A 31 5.592 -7.211 2.863 1.00 1.00 N ATOM 446 CA TYR A 31 5.824 -7.639 1.487 1.00 1.00 C ATOM 447 C TYR A 31 6.671 -6.621 0.728 1.00 1.00 C ATOM 448 O TYR A 31 7.568 -6.990 -0.029 1.00 1.00 O ATOM 449 CB TYR A 31 4.496 -7.868 0.766 1.00 1.00 C ATOM 450 CG TYR A 31 4.437 -9.174 0.006 1.00 1.00 C ATOM 451 CD1 TYR A 31 4.389 -10.388 0.679 1.00 1.00 C ATOM 452 CD2 TYR A 31 4.430 -9.194 -1.383 1.00 1.00 C ATOM 453 CE1 TYR A 31 4.336 -11.585 -0.010 1.00 1.00 C ATOM 454 CE2 TYR A 31 4.377 -10.387 -2.080 1.00 1.00 C ATOM 455 CZ TYR A 31 4.330 -11.579 -1.389 1.00 1.00 C ATOM 456 OH TYR A 31 4.277 -12.769 -2.078 1.00 1.00 O ATOM 0 H TYR A 31 4.933 -6.439 2.965 1.00 1.00 H new ATOM 0 HA TYR A 31 6.373 -8.580 1.518 1.00 1.00 H new ATOM 0 HB2 TYR A 31 3.687 -7.845 1.496 1.00 1.00 H new ATOM 0 HB3 TYR A 31 4.322 -7.045 0.072 1.00 1.00 H new ATOM 0 HD1 TYR A 31 4.393 -10.397 1.759 1.00 1.00 H new ATOM 0 HD2 TYR A 31 4.467 -8.262 -1.928 1.00 1.00 H new ATOM 0 HE1 TYR A 31 4.299 -12.520 0.529 1.00 1.00 H new ATOM 0 HE2 TYR A 31 4.372 -10.385 -3.160 1.00 1.00 H new ATOM 0 HH TYR A 31 4.279 -12.590 -3.041 1.00 1.00 H new ATOM 466 N CYS A 32 6.386 -5.339 0.936 1.00 1.00 N ATOM 467 CA CYS A 32 7.133 -4.278 0.270 1.00 1.00 C ATOM 468 C CYS A 32 8.510 -4.107 0.900 1.00 1.00 C ATOM 469 O CYS A 32 8.676 -3.349 1.857 1.00 1.00 O ATOM 470 CB CYS A 32 6.362 -2.957 0.334 1.00 1.00 C ATOM 471 SG CYS A 32 6.785 -1.787 -0.998 1.00 1.00 S ATOM 0 H CYS A 32 5.647 -5.011 1.557 1.00 1.00 H new ATOM 0 HA CYS A 32 7.262 -4.562 -0.775 1.00 1.00 H new ATOM 0 HB2 CYS A 32 5.294 -3.169 0.292 1.00 1.00 H new ATOM 0 HB3 CYS A 32 6.555 -2.482 1.296 1.00 1.00 H new ATOM 476 N SER A 33 9.496 -4.817 0.359 1.00 1.00 N ATOM 477 CA SER A 33 10.865 -4.748 0.867 1.00 1.00 C ATOM 478 C SER A 33 10.994 -5.511 2.181 1.00 1.00 C ATOM 479 O SER A 33 10.009 -6.016 2.716 1.00 1.00 O ATOM 480 CB SER A 33 11.298 -3.291 1.062 1.00 1.00 C ATOM 481 OG SER A 33 12.705 -3.160 0.966 1.00 1.00 O ATOM 0 H SER A 33 9.373 -5.448 -0.433 1.00 1.00 H new ATOM 0 HA SER A 33 11.520 -5.212 0.129 1.00 1.00 H new ATOM 0 HB2 SER A 33 10.819 -2.662 0.311 1.00 1.00 H new ATOM 0 HB3 SER A 33 10.962 -2.936 2.036 1.00 1.00 H new ATOM 0 HG SER A 33 12.955 -2.221 1.092 1.00 1.00 H new ATOM 487 N HIS A 34 12.218 -5.593 2.694 1.00 1.00 N ATOM 488 CA HIS A 34 12.476 -6.297 3.945 1.00 1.00 C ATOM 489 C HIS A 34 12.645 -5.314 5.100 1.00 1.00 C ATOM 490 O HIS A 34 13.765 -4.952 5.460 1.00 1.00 O ATOM 491 CB HIS A 34 13.726 -7.168 3.816 1.00 1.00 C ATOM 492 CG HIS A 34 13.434 -8.576 3.400 1.00 1.00 C ATOM 493 ND1 HIS A 34 13.455 -8.993 2.085 1.00 1.00 N ATOM 494 CD2 HIS A 34 13.113 -9.669 4.134 1.00 1.00 C ATOM 495 CE1 HIS A 34 13.159 -10.280 2.028 1.00 1.00 C ATOM 496 NE2 HIS A 34 12.948 -10.713 3.258 1.00 1.00 N ATOM 0 H HIS A 34 13.046 -5.181 2.263 1.00 1.00 H new ATOM 0 HA HIS A 34 11.617 -6.934 4.157 1.00 1.00 H new ATOM 0 HB2 HIS A 34 14.401 -6.716 3.089 1.00 1.00 H new ATOM 0 HB3 HIS A 34 14.250 -7.181 4.772 1.00 1.00 H new ATOM 0 HD2 HIS A 34 13.007 -9.711 5.208 1.00 1.00 H new ATOM 0 HE1 HIS A 34 13.100 -10.876 1.129 1.00 1.00 H new ATOM 0 HE2 HIS A 34 12.702 -11.669 3.515 1.00 1.00 H new ATOM 505 N ARG A 35 11.525 -4.889 5.677 1.00 1.00 N ATOM 506 CA ARG A 35 11.552 -3.950 6.793 1.00 1.00 C ATOM 507 C ARG A 35 11.316 -4.674 8.114 1.00 1.00 C ATOM 508 O ARG A 35 10.399 -5.488 8.233 1.00 1.00 O ATOM 509 CB ARG A 35 10.496 -2.861 6.598 1.00 1.00 C ATOM 510 CG ARG A 35 10.939 -1.492 7.088 1.00 1.00 C ATOM 511 CD ARG A 35 9.799 -0.488 7.044 1.00 1.00 C ATOM 512 NE ARG A 35 9.065 -0.435 8.307 1.00 1.00 N ATOM 513 CZ ARG A 35 8.261 0.567 8.656 1.00 1.00 C ATOM 514 NH1 ARG A 35 8.085 1.600 7.841 1.00 1.00 N ATOM 515 NH2 ARG A 35 7.632 0.536 9.823 1.00 1.00 N ATOM 0 H ARG A 35 10.590 -5.179 5.391 1.00 1.00 H new ATOM 0 HA ARG A 35 12.538 -3.486 6.823 1.00 1.00 H new ATOM 0 HB2 ARG A 35 10.244 -2.795 5.539 1.00 1.00 H new ATOM 0 HB3 ARG A 35 9.586 -3.150 7.124 1.00 1.00 H new ATOM 0 HG2 ARG A 35 11.314 -1.574 8.108 1.00 1.00 H new ATOM 0 HG3 ARG A 35 11.764 -1.134 6.473 1.00 1.00 H new ATOM 0 HD2 ARG A 35 10.196 0.501 6.814 1.00 1.00 H new ATOM 0 HD3 ARG A 35 9.114 -0.752 6.238 1.00 1.00 H new ATOM 0 HE ARG A 35 9.175 -1.211 8.959 1.00 1.00 H new ATOM 0 HH11 ARG A 35 8.567 1.629 6.942 1.00 1.00 H new ATOM 0 HH12 ARG A 35 7.468 2.365 8.113 1.00 1.00 H new ATOM 0 HH21 ARG A 35 7.764 -0.255 10.453 1.00 1.00 H new ATOM 0 HH22 ARG A 35 7.016 1.304 10.091 1.00 1.00 H new ATOM 529 N ILE A 36 12.149 -4.374 9.104 1.00 1.00 N ATOM 530 CA ILE A 36 12.033 -4.997 10.416 1.00 1.00 C ATOM 531 C ILE A 36 11.432 -4.030 11.433 1.00 1.00 C ATOM 532 O ILE A 36 10.593 -4.474 12.245 1.00 1.00 O ATOM 533 CB ILE A 36 13.405 -5.484 10.928 1.00 1.00 C ATOM 534 CG1 ILE A 36 13.248 -6.228 12.257 1.00 1.00 C ATOM 535 CG2 ILE A 36 14.364 -4.313 11.078 1.00 1.00 C ATOM 536 CD1 ILE A 36 14.515 -6.916 12.717 1.00 1.00 C ATOM 537 OXT ILE A 36 11.804 -2.839 11.408 1.00 1.00 O ATOM 0 H ILE A 36 12.912 -3.703 9.022 1.00 1.00 H new ATOM 0 HA ILE A 36 11.371 -5.856 10.304 1.00 1.00 H new ATOM 0 HB ILE A 36 13.821 -6.176 10.196 1.00 1.00 H new ATOM 0 HG12 ILE A 36 12.928 -5.522 13.024 1.00 1.00 H new ATOM 0 HG13 ILE A 36 12.456 -6.971 12.157 1.00 1.00 H new ATOM 0 HG21 ILE A 36 15.326 -4.675 11.440 1.00 1.00 H new ATOM 0 HG22 ILE A 36 14.499 -3.827 10.112 1.00 1.00 H new ATOM 0 HG23 ILE A 36 13.955 -3.596 11.790 1.00 1.00 H new ATOM 0 HD11 ILE A 36 14.331 -7.423 13.664 1.00 1.00 H new ATOM 0 HD12 ILE A 36 14.825 -7.646 11.969 1.00 1.00 H new ATOM 0 HD13 ILE A 36 15.304 -6.175 12.849 1.00 1.00 H new TER 549 ILE A 36 HETATM 550 ZN ZN A 37 5.503 -2.361 -2.816 1.00 1.00 ZN