USER MOD reduce.3.24.130724 H: found=0, std=0, add=476, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 435 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 Set 1.1: A 5 LYS NZ :NH3+ 168:sc= -0.567 (180deg=-0.714) USER MOD Set 1.2: A 12 LYS NZ :NH3+ 158:sc= -0.0028 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ -158:sc= -0.0069 (180deg=-0.165) USER MOD Single : A 19 ASN : amide:sc= -0.0136 X(o=-0.014,f=-0.00026) USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 26 MET CE :methyl 179:sc= 0 (180deg=-0.00308) USER MOD Single : A 31 HIS : no HD1:sc= -0.0761 X(o=-0.076,f=0) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 SER OG : rot 170:sc= 0.146 USER MOD Single : A 46 SER OG : rot -31:sc= 1.36 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 TYR OH : rot 180:sc= -1.2 USER MOD Single : A 55 ASN : amide:sc= -0.501 K(o=-0.5,f=-5.8!) USER MOD Single : A 56 THR OG1 : rot 154:sc= -2.5 USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 ASN : amide:sc= -1.49 K(o=-1.5,f=-5.4!) USER MOD ----------------------------------------------------------------- ATOM 18 N LYS A 2 -12.250 4.108 -1.451 1.00 0.00 N ATOM 19 CA LYS A 2 -12.587 2.809 -0.892 1.00 0.00 C ATOM 20 C LYS A 2 -11.529 1.788 -1.314 1.00 0.00 C ATOM 21 O LYS A 2 -11.470 1.395 -2.478 1.00 0.00 O ATOM 22 CB LYS A 2 -14.013 2.413 -1.278 1.00 0.00 C ATOM 23 CG LYS A 2 -15.023 3.450 -0.784 1.00 0.00 C ATOM 24 CD LYS A 2 -15.729 4.131 -1.958 1.00 0.00 C ATOM 25 CE LYS A 2 -16.773 3.203 -2.582 1.00 0.00 C ATOM 26 NZ LYS A 2 -17.921 3.984 -3.095 1.00 0.00 N ATOM 0 HA LYS A 2 -12.576 2.848 0.197 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -14.087 2.316 -2.361 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -14.251 1.438 -0.854 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -15.760 2.968 -0.142 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -14.514 4.199 -0.178 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -16.210 5.047 -1.616 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -14.995 4.418 -2.711 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -16.322 2.633 -3.394 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -17.118 2.483 -1.840 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -18.620 3.339 -3.515 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -18.361 4.509 -2.313 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -17.590 4.654 -3.818 1.00 0.00 H new ATOM 39 N CYS A 3 -10.719 1.387 -0.345 1.00 0.00 N ATOM 40 CA CYS A 3 -9.667 0.419 -0.601 1.00 0.00 C ATOM 41 C CYS A 3 -9.930 -0.817 0.262 1.00 0.00 C ATOM 42 O CYS A 3 -10.900 -0.856 1.017 1.00 0.00 O ATOM 43 CB CYS A 3 -8.279 1.010 -0.344 1.00 0.00 C ATOM 44 SG CYS A 3 -7.514 1.831 -1.790 1.00 0.00 S ATOM 0 H CYS A 3 -10.771 1.715 0.619 1.00 0.00 H new ATOM 0 HA CYS A 3 -9.679 0.135 -1.653 1.00 0.00 H new ATOM 0 HB2 CYS A 3 -8.352 1.732 0.469 1.00 0.00 H new ATOM 0 HB3 CYS A 3 -7.617 0.213 -0.004 1.00 0.00 H new ATOM 49 N LYS A 4 -9.048 -1.795 0.122 1.00 0.00 N ATOM 50 CA LYS A 4 -9.172 -3.029 0.880 1.00 0.00 C ATOM 51 C LYS A 4 -8.353 -2.917 2.167 1.00 0.00 C ATOM 52 O LYS A 4 -7.310 -2.265 2.189 1.00 0.00 O ATOM 53 CB LYS A 4 -8.793 -4.231 0.013 1.00 0.00 C ATOM 54 CG LYS A 4 -9.913 -4.572 -0.973 1.00 0.00 C ATOM 55 CD LYS A 4 -10.487 -5.962 -0.692 1.00 0.00 C ATOM 56 CE LYS A 4 -11.166 -6.536 -1.937 1.00 0.00 C ATOM 57 NZ LYS A 4 -12.527 -5.975 -2.091 1.00 0.00 N ATOM 0 H LYS A 4 -8.244 -1.758 -0.505 1.00 0.00 H new ATOM 0 HA LYS A 4 -10.209 -3.192 1.175 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -7.876 -4.014 -0.534 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -8.589 -5.092 0.649 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -10.705 -3.826 -0.901 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -9.529 -4.532 -1.992 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -9.689 -6.630 -0.368 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -11.206 -5.904 0.125 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -10.570 -6.308 -2.821 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -11.220 -7.622 -1.861 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -12.973 -6.375 -2.941 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -13.098 -6.214 -1.255 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -12.468 -4.941 -2.186 1.00 0.00 H new ATOM 70 N LYS A 5 -8.857 -3.562 3.209 1.00 0.00 N ATOM 71 CA LYS A 5 -8.185 -3.543 4.497 1.00 0.00 C ATOM 72 C LYS A 5 -7.158 -4.675 4.549 1.00 0.00 C ATOM 73 O LYS A 5 -6.873 -5.307 3.532 1.00 0.00 O ATOM 74 CB LYS A 5 -9.207 -3.586 5.635 1.00 0.00 C ATOM 75 CG LYS A 5 -9.625 -2.175 6.051 1.00 0.00 C ATOM 76 CD LYS A 5 -8.492 -1.463 6.793 1.00 0.00 C ATOM 77 CE LYS A 5 -8.700 -1.531 8.307 1.00 0.00 C ATOM 78 NZ LYS A 5 -9.865 -0.711 8.707 1.00 0.00 N ATOM 0 H LYS A 5 -9.723 -4.101 3.187 1.00 0.00 H new ATOM 0 HA LYS A 5 -7.637 -2.610 4.627 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -10.084 -4.151 5.319 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -8.782 -4.110 6.491 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -9.904 -1.600 5.168 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -10.507 -2.227 6.690 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -7.538 -1.921 6.533 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -8.443 -0.421 6.476 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -8.854 -2.566 8.613 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -7.805 -1.177 8.819 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -10.117 -0.924 9.693 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -9.626 0.297 8.621 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -10.672 -0.929 8.088 1.00 0.00 H new ATOM 91 N LEU A 6 -6.629 -4.898 5.743 1.00 0.00 N ATOM 92 CA LEU A 6 -5.640 -5.944 5.941 1.00 0.00 C ATOM 93 C LEU A 6 -6.091 -7.211 5.211 1.00 0.00 C ATOM 94 O LEU A 6 -5.483 -7.608 4.218 1.00 0.00 O ATOM 95 CB LEU A 6 -5.374 -6.155 7.433 1.00 0.00 C ATOM 96 CG LEU A 6 -4.251 -5.312 8.040 1.00 0.00 C ATOM 97 CD1 LEU A 6 -4.759 -3.924 8.433 1.00 0.00 C ATOM 98 CD2 LEU A 6 -3.597 -6.038 9.217 1.00 0.00 C ATOM 0 H LEU A 6 -6.867 -4.372 6.584 1.00 0.00 H new ATOM 0 HA LEU A 6 -4.683 -5.650 5.509 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -6.294 -5.946 7.979 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -5.140 -7.207 7.595 1.00 0.00 H new ATOM 0 HG LEU A 6 -3.481 -5.170 7.281 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -3.941 -3.345 8.862 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -5.141 -3.413 7.549 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -5.558 -4.024 9.168 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -2.802 -5.418 9.631 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -4.345 -6.231 9.986 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -3.178 -6.984 8.874 1.00 0.00 H new ATOM 108 N VAL A 7 -7.152 -7.809 5.731 1.00 0.00 N ATOM 109 CA VAL A 7 -7.691 -9.023 5.141 1.00 0.00 C ATOM 110 C VAL A 7 -8.713 -8.651 4.065 1.00 0.00 C ATOM 111 O VAL A 7 -9.495 -7.718 4.243 1.00 0.00 O ATOM 112 CB VAL A 7 -8.273 -9.922 6.234 1.00 0.00 C ATOM 113 CG1 VAL A 7 -8.926 -11.167 5.629 1.00 0.00 C ATOM 114 CG2 VAL A 7 -7.201 -10.307 7.255 1.00 0.00 C ATOM 0 H VAL A 7 -7.653 -7.476 6.554 1.00 0.00 H new ATOM 0 HA VAL A 7 -6.901 -9.595 4.655 1.00 0.00 H new ATOM 0 HB VAL A 7 -9.046 -9.358 6.756 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -9.332 -11.789 6.427 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -9.731 -10.866 4.958 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -8.181 -11.734 5.070 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -7.641 -10.946 8.021 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -6.396 -10.844 6.753 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -6.801 -9.406 7.720 1.00 0.00 H new ATOM 122 N PRO A 8 -8.674 -9.421 2.945 1.00 0.00 N ATOM 123 CA PRO A 8 -9.588 -9.182 1.840 1.00 0.00 C ATOM 124 C PRO A 8 -10.995 -9.680 2.175 1.00 0.00 C ATOM 125 O PRO A 8 -11.584 -10.446 1.413 1.00 0.00 O ATOM 126 CB PRO A 8 -8.968 -9.903 0.654 1.00 0.00 C ATOM 127 CG PRO A 8 -7.983 -10.900 1.241 1.00 0.00 C ATOM 128 CD PRO A 8 -7.762 -10.534 2.700 1.00 0.00 C ATOM 0 HA PRO A 8 -9.716 -8.122 1.621 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -9.731 -10.410 0.063 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -8.464 -9.201 -0.010 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -8.371 -11.915 1.157 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -7.041 -10.873 0.694 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -7.980 -11.376 3.357 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -6.727 -10.246 2.884 1.00 0.00 H new ATOM 136 N LEU A 9 -11.493 -9.226 3.316 1.00 0.00 N ATOM 137 CA LEU A 9 -12.820 -9.617 3.760 1.00 0.00 C ATOM 138 C LEU A 9 -13.722 -8.381 3.808 1.00 0.00 C ATOM 139 O LEU A 9 -14.922 -8.474 3.553 1.00 0.00 O ATOM 140 CB LEU A 9 -12.739 -10.370 5.090 1.00 0.00 C ATOM 141 CG LEU A 9 -12.527 -11.882 4.992 1.00 0.00 C ATOM 142 CD1 LEU A 9 -12.117 -12.467 6.345 1.00 0.00 C ATOM 143 CD2 LEU A 9 -13.766 -12.574 4.420 1.00 0.00 C ATOM 0 H LEU A 9 -11.002 -8.592 3.946 1.00 0.00 H new ATOM 0 HA LEU A 9 -13.269 -10.313 3.052 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -11.924 -9.946 5.676 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -13.659 -10.187 5.645 1.00 0.00 H new ATOM 0 HG LEU A 9 -11.706 -12.067 4.299 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -11.973 -13.543 6.247 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -11.187 -12.004 6.674 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -12.899 -12.271 7.078 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -13.588 -13.648 4.361 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -14.621 -12.383 5.068 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -13.972 -12.185 3.423 1.00 0.00 H new ATOM 153 N PHE A 10 -13.109 -7.253 4.135 1.00 0.00 N ATOM 154 CA PHE A 10 -13.841 -6.001 4.219 1.00 0.00 C ATOM 155 C PHE A 10 -13.019 -4.846 3.644 1.00 0.00 C ATOM 156 O PHE A 10 -11.808 -4.968 3.469 1.00 0.00 O ATOM 157 CB PHE A 10 -14.104 -5.735 5.702 1.00 0.00 C ATOM 158 CG PHE A 10 -14.578 -6.964 6.480 1.00 0.00 C ATOM 159 CD1 PHE A 10 -15.681 -7.646 6.069 1.00 0.00 C ATOM 160 CD2 PHE A 10 -13.897 -7.375 7.584 1.00 0.00 C ATOM 161 CE1 PHE A 10 -16.121 -8.787 6.791 1.00 0.00 C ATOM 162 CE2 PHE A 10 -14.337 -8.516 8.306 1.00 0.00 C ATOM 163 CZ PHE A 10 -15.440 -9.198 7.894 1.00 0.00 C ATOM 0 H PHE A 10 -12.114 -7.180 4.345 1.00 0.00 H new ATOM 0 HA PHE A 10 -14.767 -6.072 3.648 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -13.190 -5.358 6.161 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -14.854 -4.949 5.792 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -16.222 -7.320 5.193 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -13.022 -6.833 7.911 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -16.996 -9.328 6.464 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -13.796 -8.842 9.182 1.00 0.00 H new ATOM 0 HZ PHE A 10 -15.775 -10.066 8.443 1.00 0.00 H new ATOM 173 N SER A 11 -13.711 -3.750 3.365 1.00 0.00 N ATOM 174 CA SER A 11 -13.061 -2.574 2.813 1.00 0.00 C ATOM 175 C SER A 11 -13.240 -1.385 3.759 1.00 0.00 C ATOM 176 O SER A 11 -14.249 -1.289 4.456 1.00 0.00 O ATOM 177 CB SER A 11 -13.613 -2.239 1.427 1.00 0.00 C ATOM 178 OG SER A 11 -15.035 -2.318 1.385 1.00 0.00 O ATOM 0 H SER A 11 -14.716 -3.652 3.511 1.00 0.00 H new ATOM 0 HA SER A 11 -11.998 -2.789 2.707 1.00 0.00 H new ATOM 0 HB2 SER A 11 -13.297 -1.235 1.144 1.00 0.00 H new ATOM 0 HB3 SER A 11 -13.190 -2.925 0.693 1.00 0.00 H new ATOM 0 HG SER A 11 -15.349 -2.095 0.484 1.00 0.00 H new ATOM 184 N LYS A 12 -12.247 -0.509 3.752 1.00 0.00 N ATOM 185 CA LYS A 12 -12.283 0.671 4.600 1.00 0.00 C ATOM 186 C LYS A 12 -11.975 1.910 3.757 1.00 0.00 C ATOM 187 O LYS A 12 -11.226 1.832 2.784 1.00 0.00 O ATOM 188 CB LYS A 12 -11.350 0.496 5.800 1.00 0.00 C ATOM 189 CG LYS A 12 -11.703 1.481 6.917 1.00 0.00 C ATOM 190 CD LYS A 12 -12.891 0.975 7.738 1.00 0.00 C ATOM 191 CE LYS A 12 -12.795 1.448 9.190 1.00 0.00 C ATOM 192 NZ LYS A 12 -12.762 0.290 10.111 1.00 0.00 N ATOM 0 H LYS A 12 -11.412 -0.592 3.172 1.00 0.00 H new ATOM 0 HA LYS A 12 -13.280 0.810 5.018 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -11.421 -0.525 6.175 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -10.317 0.650 5.488 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -10.840 1.623 7.568 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -11.941 2.454 6.487 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -13.821 1.332 7.296 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -12.921 -0.114 7.708 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -11.897 2.052 9.323 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -13.646 2.085 9.428 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -12.334 0.577 11.015 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -13.731 -0.048 10.279 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -12.197 -0.474 9.688 1.00 0.00 H new ATOM 205 N THR A 13 -12.568 3.023 4.160 1.00 0.00 N ATOM 206 CA THR A 13 -12.366 4.277 3.454 1.00 0.00 C ATOM 207 C THR A 13 -11.268 5.100 4.131 1.00 0.00 C ATOM 208 O THR A 13 -11.368 5.421 5.314 1.00 0.00 O ATOM 209 CB THR A 13 -13.712 5.002 3.384 1.00 0.00 C ATOM 210 OG1 THR A 13 -14.491 4.202 2.498 1.00 0.00 O ATOM 211 CG2 THR A 13 -13.612 6.354 2.675 1.00 0.00 C ATOM 0 H THR A 13 -13.189 3.083 4.967 1.00 0.00 H new ATOM 0 HA THR A 13 -12.019 4.105 2.435 1.00 0.00 H new ATOM 0 HB THR A 13 -14.099 5.149 4.393 1.00 0.00 H new ATOM 0 HG1 THR A 13 -15.381 4.599 2.396 1.00 0.00 H new ATOM 0 HG21 THR A 13 -14.594 6.827 2.653 1.00 0.00 H new ATOM 0 HG22 THR A 13 -12.913 6.995 3.212 1.00 0.00 H new ATOM 0 HG23 THR A 13 -13.258 6.205 1.655 1.00 0.00 H new ATOM 218 N CYS A 14 -10.245 5.417 3.351 1.00 0.00 N ATOM 219 CA CYS A 14 -9.129 6.196 3.860 1.00 0.00 C ATOM 220 C CYS A 14 -9.628 7.609 4.164 1.00 0.00 C ATOM 221 O CYS A 14 -10.021 8.341 3.257 1.00 0.00 O ATOM 222 CB CYS A 14 -7.952 6.204 2.882 1.00 0.00 C ATOM 223 SG CYS A 14 -7.588 4.588 2.105 1.00 0.00 S ATOM 0 H CYS A 14 -10.166 5.148 2.370 1.00 0.00 H new ATOM 0 HA CYS A 14 -8.752 5.740 4.776 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -8.156 6.931 2.096 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -7.062 6.546 3.410 1.00 0.00 H new ATOM 228 N PRO A 15 -9.596 7.960 5.477 1.00 0.00 N ATOM 229 CA PRO A 15 -10.041 9.273 5.912 1.00 0.00 C ATOM 230 C PRO A 15 -9.007 10.346 5.565 1.00 0.00 C ATOM 231 O PRO A 15 -7.882 10.027 5.183 1.00 0.00 O ATOM 232 CB PRO A 15 -10.274 9.135 7.408 1.00 0.00 C ATOM 233 CG PRO A 15 -9.511 7.891 7.835 1.00 0.00 C ATOM 234 CD PRO A 15 -9.137 7.120 6.579 1.00 0.00 C ATOM 0 HA PRO A 15 -10.952 9.595 5.409 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -9.916 10.015 7.942 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -11.337 9.037 7.631 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -8.617 8.165 8.395 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -10.123 7.275 8.493 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -8.062 6.949 6.525 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -9.617 6.142 6.557 1.00 0.00 H new ATOM 242 N ALA A 16 -9.425 11.595 5.709 1.00 0.00 N ATOM 243 CA ALA A 16 -8.549 12.716 5.416 1.00 0.00 C ATOM 244 C ALA A 16 -7.140 12.404 5.926 1.00 0.00 C ATOM 245 O ALA A 16 -6.969 11.575 6.819 1.00 0.00 O ATOM 246 CB ALA A 16 -9.125 13.990 6.035 1.00 0.00 C ATOM 0 H ALA A 16 -10.359 11.855 6.025 1.00 0.00 H new ATOM 0 HA ALA A 16 -8.481 12.879 4.340 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -8.467 14.831 5.815 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -10.113 14.183 5.617 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -9.206 13.866 7.115 1.00 0.00 H new ATOM 251 N GLY A 17 -6.168 13.086 5.338 1.00 0.00 N ATOM 252 CA GLY A 17 -4.780 12.892 5.723 1.00 0.00 C ATOM 253 C GLY A 17 -4.139 11.765 4.911 1.00 0.00 C ATOM 254 O GLY A 17 -2.994 11.881 4.477 1.00 0.00 O ATOM 0 H GLY A 17 -6.314 13.773 4.598 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -4.224 13.817 5.570 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -4.723 12.657 6.786 1.00 0.00 H new ATOM 258 N LYS A 18 -4.904 10.699 4.732 1.00 0.00 N ATOM 259 CA LYS A 18 -4.425 9.551 3.980 1.00 0.00 C ATOM 260 C LYS A 18 -5.334 9.323 2.771 1.00 0.00 C ATOM 261 O LYS A 18 -6.391 8.706 2.891 1.00 0.00 O ATOM 262 CB LYS A 18 -4.297 8.329 4.892 1.00 0.00 C ATOM 263 CG LYS A 18 -5.422 8.298 5.929 1.00 0.00 C ATOM 264 CD LYS A 18 -5.197 7.179 6.948 1.00 0.00 C ATOM 265 CE LYS A 18 -5.305 7.711 8.379 1.00 0.00 C ATOM 266 NZ LYS A 18 -4.185 8.633 8.674 1.00 0.00 N ATOM 0 H LYS A 18 -5.853 10.605 5.095 1.00 0.00 H new ATOM 0 HA LYS A 18 -3.423 9.739 3.595 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -4.325 7.419 4.293 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -3.332 8.348 5.398 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -5.474 9.258 6.443 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -6.379 8.152 5.428 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -5.931 6.389 6.794 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -4.214 6.735 6.795 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -6.255 8.229 8.510 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -5.295 6.880 9.084 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -4.046 8.692 9.703 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -3.316 8.277 8.227 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -4.405 9.578 8.299 1.00 0.00 H new ATOM 279 N ASN A 19 -4.889 9.834 1.632 1.00 0.00 N ATOM 280 CA ASN A 19 -5.649 9.694 0.401 1.00 0.00 C ATOM 281 C ASN A 19 -4.912 8.741 -0.542 1.00 0.00 C ATOM 282 O ASN A 19 -5.211 8.689 -1.734 1.00 0.00 O ATOM 283 CB ASN A 19 -5.800 11.041 -0.309 1.00 0.00 C ATOM 284 CG ASN A 19 -7.063 11.768 0.157 1.00 0.00 C ATOM 285 OD1 ASN A 19 -8.181 11.362 -0.115 1.00 0.00 O ATOM 286 ND2 ASN A 19 -6.823 12.863 0.872 1.00 0.00 N ATOM 0 H ASN A 19 -4.012 10.346 1.536 1.00 0.00 H new ATOM 0 HA ASN A 19 -6.636 9.309 0.655 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -4.925 11.661 -0.111 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -5.843 10.885 -1.387 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -7.600 13.419 1.229 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -5.862 13.147 1.063 1.00 0.00 H new ATOM 293 N LEU A 20 -3.964 8.012 0.027 1.00 0.00 N ATOM 294 CA LEU A 20 -3.182 7.064 -0.749 1.00 0.00 C ATOM 295 C LEU A 20 -3.217 5.698 -0.062 1.00 0.00 C ATOM 296 O LEU A 20 -2.976 5.597 1.140 1.00 0.00 O ATOM 297 CB LEU A 20 -1.768 7.600 -0.982 1.00 0.00 C ATOM 298 CG LEU A 20 -1.660 8.848 -1.859 1.00 0.00 C ATOM 299 CD1 LEU A 20 -0.649 9.840 -1.280 1.00 0.00 C ATOM 300 CD2 LEU A 20 -1.333 8.475 -3.307 1.00 0.00 C ATOM 0 H LEU A 20 -3.719 8.058 1.016 1.00 0.00 H new ATOM 0 HA LEU A 20 -3.615 6.933 -1.741 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -1.321 7.821 -0.013 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -1.171 6.809 -1.436 1.00 0.00 H new ATOM 0 HG LEU A 20 -2.630 9.345 -1.866 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -0.592 10.718 -1.923 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -0.966 10.141 -0.282 1.00 0.00 H new ATOM 0 HD13 LEU A 20 0.332 9.368 -1.222 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -1.262 9.381 -3.909 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -0.383 7.942 -3.340 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -2.121 7.836 -3.705 1.00 0.00 H new ATOM 310 N CYS A 21 -3.519 4.679 -0.854 1.00 0.00 N ATOM 311 CA CYS A 21 -3.588 3.323 -0.337 1.00 0.00 C ATOM 312 C CYS A 21 -2.220 2.665 -0.530 1.00 0.00 C ATOM 313 O CYS A 21 -1.669 2.682 -1.629 1.00 0.00 O ATOM 314 CB CYS A 21 -4.707 2.520 -1.003 1.00 0.00 C ATOM 315 SG CYS A 21 -6.368 3.281 -0.892 1.00 0.00 S ATOM 0 H CYS A 21 -3.719 4.766 -1.850 1.00 0.00 H new ATOM 0 HA CYS A 21 -3.831 3.348 0.725 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -4.457 2.378 -2.054 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -4.745 1.530 -0.548 1.00 0.00 H new ATOM 320 N TYR A 22 -1.712 2.101 0.556 1.00 0.00 N ATOM 321 CA TYR A 22 -0.419 1.438 0.520 1.00 0.00 C ATOM 322 C TYR A 22 -0.563 -0.059 0.801 1.00 0.00 C ATOM 323 O TYR A 22 -1.475 -0.476 1.512 1.00 0.00 O ATOM 324 CB TYR A 22 0.413 2.076 1.633 1.00 0.00 C ATOM 325 CG TYR A 22 0.158 1.482 3.020 1.00 0.00 C ATOM 326 CD1 TYR A 22 0.686 0.250 3.350 1.00 0.00 C ATOM 327 CD2 TYR A 22 -0.600 2.177 3.940 1.00 0.00 C ATOM 328 CE1 TYR A 22 0.445 -0.309 4.655 1.00 0.00 C ATOM 329 CE2 TYR A 22 -0.841 1.617 5.245 1.00 0.00 C ATOM 330 CZ TYR A 22 -0.306 0.402 5.538 1.00 0.00 C ATOM 331 OH TYR A 22 -0.533 -0.127 6.770 1.00 0.00 O ATOM 0 H TYR A 22 -2.172 2.089 1.466 1.00 0.00 H new ATOM 0 HA TYR A 22 0.042 1.548 -0.462 1.00 0.00 H new ATOM 0 HB2 TYR A 22 1.470 1.966 1.391 1.00 0.00 H new ATOM 0 HB3 TYR A 22 0.202 3.145 1.663 1.00 0.00 H new ATOM 0 HD1 TYR A 22 1.279 -0.294 2.630 1.00 0.00 H new ATOM 0 HD2 TYR A 22 -1.013 3.141 3.682 1.00 0.00 H new ATOM 0 HE1 TYR A 22 0.852 -1.272 4.927 1.00 0.00 H new ATOM 0 HE2 TYR A 22 -1.433 2.150 5.974 1.00 0.00 H new ATOM 0 HH TYR A 22 -1.084 0.491 7.295 1.00 0.00 H new ATOM 341 N LYS A 23 0.353 -0.826 0.227 1.00 0.00 N ATOM 342 CA LYS A 23 0.340 -2.268 0.407 1.00 0.00 C ATOM 343 C LYS A 23 1.768 -2.760 0.653 1.00 0.00 C ATOM 344 O LYS A 23 2.662 -2.508 -0.153 1.00 0.00 O ATOM 345 CB LYS A 23 -0.350 -2.950 -0.776 1.00 0.00 C ATOM 346 CG LYS A 23 0.456 -2.761 -2.063 1.00 0.00 C ATOM 347 CD LYS A 23 -0.228 -3.453 -3.244 1.00 0.00 C ATOM 348 CE LYS A 23 0.790 -3.834 -4.321 1.00 0.00 C ATOM 349 NZ LYS A 23 0.283 -4.957 -5.140 1.00 0.00 N ATOM 0 H LYS A 23 1.108 -0.476 -0.363 1.00 0.00 H new ATOM 0 HA LYS A 23 -0.246 -2.537 1.286 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -0.468 -4.014 -0.569 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -1.351 -2.538 -0.905 1.00 0.00 H new ATOM 0 HG2 LYS A 23 0.567 -1.697 -2.274 1.00 0.00 H new ATOM 0 HG3 LYS A 23 1.459 -3.166 -1.931 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -0.746 -4.347 -2.896 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -0.983 -2.792 -3.670 1.00 0.00 H new ATOM 0 HE2 LYS A 23 0.993 -2.974 -4.959 1.00 0.00 H new ATOM 0 HE3 LYS A 23 1.734 -4.114 -3.854 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 0.986 -5.203 -5.866 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 0.112 -5.782 -4.530 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -0.606 -4.677 -5.601 1.00 0.00 H new ATOM 362 N MET A 24 1.937 -3.453 1.769 1.00 0.00 N ATOM 363 CA MET A 24 3.241 -3.982 2.131 1.00 0.00 C ATOM 364 C MET A 24 3.257 -5.510 2.042 1.00 0.00 C ATOM 365 O MET A 24 2.419 -6.179 2.644 1.00 0.00 O ATOM 366 CB MET A 24 3.589 -3.551 3.557 1.00 0.00 C ATOM 367 CG MET A 24 3.745 -2.031 3.648 1.00 0.00 C ATOM 368 SD MET A 24 3.571 -1.500 5.343 1.00 0.00 S ATOM 369 CE MET A 24 5.240 -1.758 5.921 1.00 0.00 C ATOM 0 H MET A 24 1.193 -3.661 2.435 1.00 0.00 H new ATOM 0 HA MET A 24 3.979 -3.588 1.432 1.00 0.00 H new ATOM 0 HB2 MET A 24 2.808 -3.882 4.241 1.00 0.00 H new ATOM 0 HB3 MET A 24 4.514 -4.035 3.871 1.00 0.00 H new ATOM 0 HG2 MET A 24 4.721 -1.734 3.263 1.00 0.00 H new ATOM 0 HG3 MET A 24 2.995 -1.542 3.026 1.00 0.00 H new ATOM 0 HE1 MET A 24 5.309 -1.474 6.971 1.00 0.00 H new ATOM 0 HE2 MET A 24 5.505 -2.810 5.811 1.00 0.00 H new ATOM 0 HE3 MET A 24 5.927 -1.148 5.334 1.00 0.00 H new ATOM 378 N PHE A 25 4.220 -6.016 1.285 1.00 0.00 N ATOM 379 CA PHE A 25 4.356 -7.452 1.109 1.00 0.00 C ATOM 380 C PHE A 25 5.827 -7.870 1.134 1.00 0.00 C ATOM 381 O PHE A 25 6.718 -7.025 1.066 1.00 0.00 O ATOM 382 CB PHE A 25 3.764 -7.793 -0.260 1.00 0.00 C ATOM 383 CG PHE A 25 4.450 -7.082 -1.429 1.00 0.00 C ATOM 384 CD1 PHE A 25 4.069 -5.824 -1.778 1.00 0.00 C ATOM 385 CD2 PHE A 25 5.441 -7.709 -2.118 1.00 0.00 C ATOM 386 CE1 PHE A 25 4.706 -5.165 -2.863 1.00 0.00 C ATOM 387 CE2 PHE A 25 6.078 -7.050 -3.203 1.00 0.00 C ATOM 388 CZ PHE A 25 5.697 -5.792 -3.552 1.00 0.00 C ATOM 0 H PHE A 25 4.913 -5.457 0.787 1.00 0.00 H new ATOM 0 HA PHE A 25 3.843 -7.976 1.916 1.00 0.00 H new ATOM 0 HB2 PHE A 25 3.829 -8.870 -0.415 1.00 0.00 H new ATOM 0 HB3 PHE A 25 2.705 -7.534 -0.261 1.00 0.00 H new ATOM 0 HD1 PHE A 25 3.282 -5.326 -1.230 1.00 0.00 H new ATOM 0 HD2 PHE A 25 5.743 -8.708 -1.840 1.00 0.00 H new ATOM 0 HE1 PHE A 25 4.404 -4.166 -3.141 1.00 0.00 H new ATOM 0 HE2 PHE A 25 6.865 -7.548 -3.751 1.00 0.00 H new ATOM 0 HZ PHE A 25 6.182 -5.291 -4.377 1.00 0.00 H new ATOM 398 N MET A 26 6.037 -9.175 1.232 1.00 0.00 N ATOM 399 CA MET A 26 7.385 -9.716 1.267 1.00 0.00 C ATOM 400 C MET A 26 7.877 -10.053 -0.142 1.00 0.00 C ATOM 401 O MET A 26 7.086 -10.427 -1.007 1.00 0.00 O ATOM 402 CB MET A 26 7.406 -10.978 2.131 1.00 0.00 C ATOM 403 CG MET A 26 7.096 -10.647 3.592 1.00 0.00 C ATOM 404 SD MET A 26 6.670 -12.137 4.479 1.00 0.00 S ATOM 405 CE MET A 26 6.631 -11.504 6.147 1.00 0.00 C ATOM 0 H MET A 26 5.296 -9.873 1.288 1.00 0.00 H new ATOM 0 HA MET A 26 8.048 -8.963 1.692 1.00 0.00 H new ATOM 0 HB2 MET A 26 6.676 -11.694 1.754 1.00 0.00 H new ATOM 0 HB3 MET A 26 8.384 -11.454 2.062 1.00 0.00 H new ATOM 0 HG2 MET A 26 7.960 -10.172 4.057 1.00 0.00 H new ATOM 0 HG3 MET A 26 6.273 -9.934 3.645 1.00 0.00 H new ATOM 0 HE1 MET A 26 6.361 -12.306 6.834 1.00 0.00 H new ATOM 0 HE2 MET A 26 7.614 -11.115 6.412 1.00 0.00 H new ATOM 0 HE3 MET A 26 5.894 -10.704 6.215 1.00 0.00 H new ATOM 414 N VAL A 27 9.180 -9.909 -0.330 1.00 0.00 N ATOM 415 CA VAL A 27 9.787 -10.194 -1.619 1.00 0.00 C ATOM 416 C VAL A 27 9.488 -11.643 -2.009 1.00 0.00 C ATOM 417 O VAL A 27 9.650 -12.023 -3.168 1.00 0.00 O ATOM 418 CB VAL A 27 11.285 -9.884 -1.572 1.00 0.00 C ATOM 419 CG1 VAL A 27 12.023 -10.878 -0.673 1.00 0.00 C ATOM 420 CG2 VAL A 27 11.885 -9.867 -2.979 1.00 0.00 C ATOM 0 H VAL A 27 9.833 -9.598 0.389 1.00 0.00 H new ATOM 0 HA VAL A 27 9.361 -9.555 -2.392 1.00 0.00 H new ATOM 0 HB VAL A 27 11.408 -8.890 -1.143 1.00 0.00 H new ATOM 0 HG11 VAL A 27 13.085 -10.635 -0.657 1.00 0.00 H new ATOM 0 HG12 VAL A 27 11.623 -10.820 0.339 1.00 0.00 H new ATOM 0 HG13 VAL A 27 11.887 -11.888 -1.059 1.00 0.00 H new ATOM 0 HG21 VAL A 27 12.950 -9.644 -2.918 1.00 0.00 H new ATOM 0 HG22 VAL A 27 11.744 -10.842 -3.446 1.00 0.00 H new ATOM 0 HG23 VAL A 27 11.389 -9.103 -3.577 1.00 0.00 H new ATOM 428 N ALA A 28 9.058 -12.412 -1.020 1.00 0.00 N ATOM 429 CA ALA A 28 8.735 -13.811 -1.246 1.00 0.00 C ATOM 430 C ALA A 28 8.098 -13.966 -2.628 1.00 0.00 C ATOM 431 O ALA A 28 8.459 -14.867 -3.384 1.00 0.00 O ATOM 432 CB ALA A 28 7.823 -14.312 -0.124 1.00 0.00 C ATOM 0 H ALA A 28 8.926 -12.093 -0.060 1.00 0.00 H new ATOM 0 HA ALA A 28 9.638 -14.421 -1.229 1.00 0.00 H new ATOM 0 HB1 ALA A 28 7.581 -15.361 -0.293 1.00 0.00 H new ATOM 0 HB2 ALA A 28 8.333 -14.207 0.834 1.00 0.00 H new ATOM 0 HB3 ALA A 28 6.905 -13.725 -0.112 1.00 0.00 H new ATOM 437 N ALA A 29 7.161 -13.074 -2.916 1.00 0.00 N ATOM 438 CA ALA A 29 6.471 -13.101 -4.195 1.00 0.00 C ATOM 439 C ALA A 29 5.822 -11.739 -4.447 1.00 0.00 C ATOM 440 O ALA A 29 5.512 -11.011 -3.506 1.00 0.00 O ATOM 441 CB ALA A 29 5.452 -14.243 -4.201 1.00 0.00 C ATOM 0 H ALA A 29 6.864 -12.329 -2.286 1.00 0.00 H new ATOM 0 HA ALA A 29 7.174 -13.287 -5.007 1.00 0.00 H new ATOM 0 HB1 ALA A 29 4.934 -14.264 -5.160 1.00 0.00 H new ATOM 0 HB2 ALA A 29 5.967 -15.191 -4.046 1.00 0.00 H new ATOM 0 HB3 ALA A 29 4.728 -14.089 -3.401 1.00 0.00 H new ATOM 446 N PRO A 30 5.631 -11.428 -5.757 1.00 0.00 N ATOM 447 CA PRO A 30 5.024 -10.166 -6.146 1.00 0.00 C ATOM 448 C PRO A 30 3.515 -10.182 -5.894 1.00 0.00 C ATOM 449 O PRO A 30 2.819 -9.219 -6.211 1.00 0.00 O ATOM 450 CB PRO A 30 5.380 -9.994 -7.614 1.00 0.00 C ATOM 451 CG PRO A 30 5.771 -11.376 -8.113 1.00 0.00 C ATOM 452 CD PRO A 30 5.986 -12.265 -6.899 1.00 0.00 C ATOM 0 HA PRO A 30 5.392 -9.324 -5.560 1.00 0.00 H new ATOM 0 HB2 PRO A 30 4.534 -9.600 -8.177 1.00 0.00 H new ATOM 0 HB3 PRO A 30 6.201 -9.288 -7.737 1.00 0.00 H new ATOM 0 HG2 PRO A 30 4.990 -11.786 -8.753 1.00 0.00 H new ATOM 0 HG3 PRO A 30 6.679 -11.323 -8.713 1.00 0.00 H new ATOM 0 HD2 PRO A 30 5.361 -13.157 -6.946 1.00 0.00 H new ATOM 0 HD3 PRO A 30 7.020 -12.604 -6.835 1.00 0.00 H new ATOM 460 N HIS A 31 3.054 -11.287 -5.327 1.00 0.00 N ATOM 461 CA HIS A 31 1.641 -11.442 -5.029 1.00 0.00 C ATOM 462 C HIS A 31 1.474 -12.177 -3.697 1.00 0.00 C ATOM 463 O HIS A 31 0.836 -13.226 -3.639 1.00 0.00 O ATOM 464 CB HIS A 31 0.915 -12.135 -6.184 1.00 0.00 C ATOM 465 CG HIS A 31 -0.591 -12.048 -6.104 1.00 0.00 C ATOM 466 ND1 HIS A 31 -1.313 -11.013 -6.672 1.00 0.00 N ATOM 467 CD2 HIS A 31 -1.502 -12.876 -5.517 1.00 0.00 C ATOM 468 CE1 HIS A 31 -2.599 -11.219 -6.432 1.00 0.00 C ATOM 469 NE2 HIS A 31 -2.714 -12.374 -5.716 1.00 0.00 N ATOM 0 H HIS A 31 3.635 -12.084 -5.066 1.00 0.00 H new ATOM 0 HA HIS A 31 1.179 -10.461 -4.922 1.00 0.00 H new ATOM 0 HB2 HIS A 31 1.245 -11.693 -7.124 1.00 0.00 H new ATOM 0 HB3 HIS A 31 1.207 -13.185 -6.206 1.00 0.00 H new ATOM 0 HD2 HIS A 31 -1.275 -13.786 -4.981 1.00 0.00 H new ATOM 0 HE1 HIS A 31 -3.414 -10.584 -6.748 1.00 0.00 H new ATOM 0 HE2 HIS A 31 -3.588 -12.784 -5.387 1.00 0.00 H new ATOM 477 N VAL A 32 2.060 -11.596 -2.660 1.00 0.00 N ATOM 478 CA VAL A 32 1.984 -12.182 -1.333 1.00 0.00 C ATOM 479 C VAL A 32 1.974 -11.066 -0.287 1.00 0.00 C ATOM 480 O VAL A 32 2.997 -10.782 0.334 1.00 0.00 O ATOM 481 CB VAL A 32 3.130 -13.177 -1.135 1.00 0.00 C ATOM 482 CG1 VAL A 32 3.346 -13.474 0.351 1.00 0.00 C ATOM 483 CG2 VAL A 32 2.880 -14.465 -1.921 1.00 0.00 C ATOM 0 H VAL A 32 2.589 -10.726 -2.712 1.00 0.00 H new ATOM 0 HA VAL A 32 1.058 -12.745 -1.216 1.00 0.00 H new ATOM 0 HB VAL A 32 4.041 -12.721 -1.522 1.00 0.00 H new ATOM 0 HG11 VAL A 32 4.166 -14.184 0.465 1.00 0.00 H new ATOM 0 HG12 VAL A 32 3.591 -12.550 0.875 1.00 0.00 H new ATOM 0 HG13 VAL A 32 2.436 -13.900 0.773 1.00 0.00 H new ATOM 0 HG21 VAL A 32 3.709 -15.155 -1.763 1.00 0.00 H new ATOM 0 HG22 VAL A 32 1.954 -14.926 -1.578 1.00 0.00 H new ATOM 0 HG23 VAL A 32 2.799 -14.233 -2.983 1.00 0.00 H new ATOM 491 N PRO A 33 0.775 -10.446 -0.120 1.00 0.00 N ATOM 492 CA PRO A 33 0.618 -9.367 0.841 1.00 0.00 C ATOM 493 C PRO A 33 0.576 -9.908 2.271 1.00 0.00 C ATOM 494 O PRO A 33 0.109 -11.021 2.504 1.00 0.00 O ATOM 495 CB PRO A 33 -0.667 -8.663 0.434 1.00 0.00 C ATOM 496 CG PRO A 33 -1.422 -9.647 -0.444 1.00 0.00 C ATOM 497 CD PRO A 33 -0.458 -10.754 -0.838 1.00 0.00 C ATOM 0 HA PRO A 33 1.457 -8.672 0.834 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -1.256 -8.389 1.309 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -0.453 -7.741 -0.107 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -2.277 -10.058 0.092 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -1.812 -9.147 -1.330 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -0.845 -11.734 -0.558 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -0.295 -10.772 -1.916 1.00 0.00 H new ATOM 505 N VAL A 34 1.072 -9.094 3.192 1.00 0.00 N ATOM 506 CA VAL A 34 1.098 -9.477 4.593 1.00 0.00 C ATOM 507 C VAL A 34 0.272 -8.478 5.406 1.00 0.00 C ATOM 508 O VAL A 34 -0.474 -8.868 6.302 1.00 0.00 O ATOM 509 CB VAL A 34 2.545 -9.590 5.078 1.00 0.00 C ATOM 510 CG1 VAL A 34 3.221 -8.218 5.111 1.00 0.00 C ATOM 511 CG2 VAL A 34 2.612 -10.268 6.448 1.00 0.00 C ATOM 0 H VAL A 34 1.459 -8.171 2.995 1.00 0.00 H new ATOM 0 HA VAL A 34 0.646 -10.459 4.728 1.00 0.00 H new ATOM 0 HB VAL A 34 3.089 -10.214 4.369 1.00 0.00 H new ATOM 0 HG11 VAL A 34 4.248 -8.327 5.459 1.00 0.00 H new ATOM 0 HG12 VAL A 34 3.221 -7.788 4.109 1.00 0.00 H new ATOM 0 HG13 VAL A 34 2.676 -7.560 5.788 1.00 0.00 H new ATOM 0 HG21 VAL A 34 3.651 -10.336 6.770 1.00 0.00 H new ATOM 0 HG22 VAL A 34 2.045 -9.682 7.172 1.00 0.00 H new ATOM 0 HG23 VAL A 34 2.187 -11.269 6.380 1.00 0.00 H new ATOM 519 N LYS A 35 0.433 -7.208 5.063 1.00 0.00 N ATOM 520 CA LYS A 35 -0.289 -6.150 5.749 1.00 0.00 C ATOM 521 C LYS A 35 -0.556 -5.004 4.771 1.00 0.00 C ATOM 522 O LYS A 35 0.169 -4.836 3.793 1.00 0.00 O ATOM 523 CB LYS A 35 0.463 -5.720 7.010 1.00 0.00 C ATOM 524 CG LYS A 35 -0.409 -4.819 7.887 1.00 0.00 C ATOM 525 CD LYS A 35 0.353 -4.363 9.133 1.00 0.00 C ATOM 526 CE LYS A 35 0.157 -5.349 10.286 1.00 0.00 C ATOM 527 NZ LYS A 35 0.516 -4.717 11.576 1.00 0.00 N ATOM 0 H LYS A 35 1.053 -6.888 4.319 1.00 0.00 H new ATOM 0 HA LYS A 35 -1.259 -6.510 6.091 1.00 0.00 H new ATOM 0 HB2 LYS A 35 0.766 -6.601 7.576 1.00 0.00 H new ATOM 0 HB3 LYS A 35 1.374 -5.191 6.732 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -0.730 -3.949 7.314 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -1.310 -5.356 8.184 1.00 0.00 H new ATOM 0 HD2 LYS A 35 1.415 -4.274 8.902 1.00 0.00 H new ATOM 0 HD3 LYS A 35 0.008 -3.374 9.433 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -0.880 -5.683 10.314 1.00 0.00 H new ATOM 0 HE3 LYS A 35 0.773 -6.234 10.124 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 0.377 -5.400 12.348 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 1.512 -4.420 11.552 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -0.089 -3.886 11.736 1.00 0.00 H new ATOM 540 N ARG A 36 -1.600 -4.218 5.043 1.00 0.00 N ATOM 541 CA ARG A 36 -1.958 -3.100 4.193 1.00 0.00 C ATOM 542 C ARG A 36 -2.721 -2.061 5.003 1.00 0.00 C ATOM 543 O ARG A 36 -3.182 -2.347 6.105 1.00 0.00 O ATOM 544 CB ARG A 36 -2.802 -3.601 3.025 1.00 0.00 C ATOM 545 CG ARG A 36 -2.010 -4.637 2.232 1.00 0.00 C ATOM 546 CD ARG A 36 -2.667 -4.847 0.871 1.00 0.00 C ATOM 547 NE ARG A 36 -3.826 -5.734 0.978 1.00 0.00 N ATOM 548 CZ ARG A 36 -4.295 -6.443 -0.057 1.00 0.00 C ATOM 549 NH1 ARG A 36 -3.699 -6.357 -1.254 1.00 0.00 N ATOM 550 NH2 ARG A 36 -5.362 -7.238 0.104 1.00 0.00 N ATOM 0 H ARG A 36 -2.210 -4.343 5.851 1.00 0.00 H new ATOM 0 HA ARG A 36 -1.055 -2.633 3.798 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -3.729 -4.041 3.394 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -3.080 -2.768 2.379 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -0.981 -4.303 2.103 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -1.973 -5.579 2.779 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -2.977 -3.886 0.461 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -1.943 -5.272 0.176 1.00 0.00 H new ATOM 0 HE ARG A 36 -4.297 -5.816 1.879 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -2.888 -5.751 -1.377 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -4.057 -6.897 -2.042 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -5.817 -7.303 1.015 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -5.719 -7.778 -0.684 1.00 0.00 H new ATOM 564 N GLY A 37 -2.832 -0.872 4.426 1.00 0.00 N ATOM 565 CA GLY A 37 -3.535 0.215 5.085 1.00 0.00 C ATOM 566 C GLY A 37 -3.507 1.484 4.231 1.00 0.00 C ATOM 567 O GLY A 37 -3.167 1.433 3.050 1.00 0.00 O ATOM 0 H GLY A 37 -2.447 -0.639 3.511 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -4.568 -0.077 5.275 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -3.077 0.414 6.054 1.00 0.00 H new ATOM 571 N CYS A 38 -3.869 2.591 4.861 1.00 0.00 N ATOM 572 CA CYS A 38 -3.890 3.871 4.173 1.00 0.00 C ATOM 573 C CYS A 38 -2.852 4.785 4.827 1.00 0.00 C ATOM 574 O CYS A 38 -2.515 4.610 5.997 1.00 0.00 O ATOM 575 CB CYS A 38 -5.287 4.495 4.181 1.00 0.00 C ATOM 576 SG CYS A 38 -6.583 3.487 3.375 1.00 0.00 S ATOM 0 H CYS A 38 -4.150 2.629 5.841 1.00 0.00 H new ATOM 0 HA CYS A 38 -3.635 3.727 3.123 1.00 0.00 H new ATOM 0 HB2 CYS A 38 -5.581 4.680 5.214 1.00 0.00 H new ATOM 0 HB3 CYS A 38 -5.239 5.464 3.685 1.00 0.00 H new ATOM 581 N ILE A 39 -2.375 5.742 4.044 1.00 0.00 N ATOM 582 CA ILE A 39 -1.383 6.684 4.533 1.00 0.00 C ATOM 583 C ILE A 39 -1.323 7.888 3.591 1.00 0.00 C ATOM 584 O ILE A 39 -2.148 8.017 2.689 1.00 0.00 O ATOM 585 CB ILE A 39 -0.034 5.988 4.728 1.00 0.00 C ATOM 586 CG1 ILE A 39 0.774 6.661 5.839 1.00 0.00 C ATOM 587 CG2 ILE A 39 0.744 5.921 3.412 1.00 0.00 C ATOM 588 CD1 ILE A 39 1.065 5.681 6.977 1.00 0.00 C ATOM 0 H ILE A 39 -2.657 5.885 3.074 1.00 0.00 H new ATOM 0 HA ILE A 39 -1.666 7.061 5.516 1.00 0.00 H new ATOM 0 HB ILE A 39 -0.221 4.961 5.043 1.00 0.00 H new ATOM 0 HG12 ILE A 39 1.712 7.040 5.433 1.00 0.00 H new ATOM 0 HG13 ILE A 39 0.224 7.519 6.225 1.00 0.00 H new ATOM 0 HG21 ILE A 39 1.699 5.422 3.579 1.00 0.00 H new ATOM 0 HG22 ILE A 39 0.166 5.362 2.676 1.00 0.00 H new ATOM 0 HG23 ILE A 39 0.922 6.931 3.043 1.00 0.00 H new ATOM 0 HD11 ILE A 39 1.641 6.185 7.753 1.00 0.00 H new ATOM 0 HD12 ILE A 39 0.125 5.322 7.397 1.00 0.00 H new ATOM 0 HD13 ILE A 39 1.637 4.836 6.593 1.00 0.00 H new ATOM 598 N ASP A 40 -0.342 8.767 3.807 1.00 0.00 N ATOM 599 CA ASP A 40 -0.180 9.950 2.985 1.00 0.00 C ATOM 600 C ASP A 40 1.130 9.865 2.215 1.00 0.00 C ATOM 601 O ASP A 40 1.168 10.146 1.019 1.00 0.00 O ATOM 602 CB ASP A 40 -0.208 11.192 3.871 1.00 0.00 C ATOM 603 CG ASP A 40 -0.430 12.448 3.040 1.00 0.00 C ATOM 604 OD1 ASP A 40 0.258 12.571 2.003 1.00 0.00 O ATOM 605 OD2 ASP A 40 -1.282 13.261 3.457 1.00 0.00 O ATOM 0 H ASP A 40 0.351 8.674 4.550 1.00 0.00 H new ATOM 0 HA ASP A 40 -0.998 10.015 2.267 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -1.001 11.097 4.612 1.00 0.00 H new ATOM 0 HB3 ASP A 40 0.731 11.274 4.418 1.00 0.00 H new ATOM 611 N VAL A 41 2.177 9.477 2.929 1.00 0.00 N ATOM 612 CA VAL A 41 3.491 9.353 2.323 1.00 0.00 C ATOM 613 C VAL A 41 3.897 7.878 2.294 1.00 0.00 C ATOM 614 O VAL A 41 3.766 7.174 3.294 1.00 0.00 O ATOM 615 CB VAL A 41 4.496 10.235 3.066 1.00 0.00 C ATOM 616 CG1 VAL A 41 5.925 9.955 2.595 1.00 0.00 C ATOM 617 CG2 VAL A 41 4.147 11.716 2.908 1.00 0.00 C ATOM 0 H VAL A 41 2.141 9.245 3.922 1.00 0.00 H new ATOM 0 HA VAL A 41 3.471 9.705 1.292 1.00 0.00 H new ATOM 0 HB VAL A 41 4.439 9.988 4.126 1.00 0.00 H new ATOM 0 HG11 VAL A 41 6.619 10.595 3.139 1.00 0.00 H new ATOM 0 HG12 VAL A 41 6.172 8.910 2.783 1.00 0.00 H new ATOM 0 HG13 VAL A 41 6.003 10.160 1.527 1.00 0.00 H new ATOM 0 HG21 VAL A 41 4.877 12.321 3.446 1.00 0.00 H new ATOM 0 HG22 VAL A 41 4.162 11.983 1.851 1.00 0.00 H new ATOM 0 HG23 VAL A 41 3.153 11.901 3.314 1.00 0.00 H new ATOM 625 N CYS A 42 4.383 7.453 1.136 1.00 0.00 N ATOM 626 CA CYS A 42 4.809 6.075 0.964 1.00 0.00 C ATOM 627 C CYS A 42 6.317 6.003 1.214 1.00 0.00 C ATOM 628 O CYS A 42 7.068 6.860 0.750 1.00 0.00 O ATOM 629 CB CYS A 42 4.433 5.535 -0.418 1.00 0.00 C ATOM 630 SG CYS A 42 3.664 3.875 -0.410 1.00 0.00 S ATOM 0 H CYS A 42 4.491 8.039 0.308 1.00 0.00 H new ATOM 0 HA CYS A 42 4.292 5.440 1.683 1.00 0.00 H new ATOM 0 HB2 CYS A 42 3.746 6.236 -0.892 1.00 0.00 H new ATOM 0 HB3 CYS A 42 5.330 5.501 -1.036 1.00 0.00 H new ATOM 635 N PRO A 43 6.725 4.946 1.965 1.00 0.00 N ATOM 636 CA PRO A 43 8.130 4.751 2.282 1.00 0.00 C ATOM 637 C PRO A 43 8.899 4.230 1.067 1.00 0.00 C ATOM 638 O PRO A 43 8.299 3.741 0.111 1.00 0.00 O ATOM 639 CB PRO A 43 8.138 3.781 3.452 1.00 0.00 C ATOM 640 CG PRO A 43 6.774 3.110 3.447 1.00 0.00 C ATOM 641 CD PRO A 43 5.864 3.911 2.530 1.00 0.00 C ATOM 0 HA PRO A 43 8.634 5.680 2.549 1.00 0.00 H new ATOM 0 HB2 PRO A 43 8.935 3.046 3.344 1.00 0.00 H new ATOM 0 HB3 PRO A 43 8.312 4.304 4.392 1.00 0.00 H new ATOM 0 HG2 PRO A 43 6.856 2.080 3.099 1.00 0.00 H new ATOM 0 HG3 PRO A 43 6.363 3.073 4.456 1.00 0.00 H new ATOM 0 HD2 PRO A 43 5.436 3.282 1.749 1.00 0.00 H new ATOM 0 HD3 PRO A 43 5.031 4.347 3.081 1.00 0.00 H new ATOM 649 N LYS A 44 10.216 4.351 1.143 1.00 0.00 N ATOM 650 CA LYS A 44 11.074 3.898 0.061 1.00 0.00 C ATOM 651 C LYS A 44 11.065 2.369 0.016 1.00 0.00 C ATOM 652 O LYS A 44 11.057 1.713 1.057 1.00 0.00 O ATOM 653 CB LYS A 44 12.473 4.501 0.199 1.00 0.00 C ATOM 654 CG LYS A 44 13.407 3.973 -0.893 1.00 0.00 C ATOM 655 CD LYS A 44 14.062 5.125 -1.658 1.00 0.00 C ATOM 656 CE LYS A 44 15.446 4.725 -2.172 1.00 0.00 C ATOM 657 NZ LYS A 44 16.293 5.923 -2.366 1.00 0.00 N ATOM 0 H LYS A 44 10.710 4.757 1.938 1.00 0.00 H new ATOM 0 HA LYS A 44 10.695 4.248 -0.899 1.00 0.00 H new ATOM 0 HB2 LYS A 44 12.413 5.588 0.137 1.00 0.00 H new ATOM 0 HB3 LYS A 44 12.882 4.260 1.180 1.00 0.00 H new ATOM 0 HG2 LYS A 44 14.177 3.345 -0.445 1.00 0.00 H new ATOM 0 HG3 LYS A 44 12.845 3.345 -1.585 1.00 0.00 H new ATOM 0 HD2 LYS A 44 13.429 5.416 -2.496 1.00 0.00 H new ATOM 0 HD3 LYS A 44 14.149 5.995 -1.007 1.00 0.00 H new ATOM 0 HE2 LYS A 44 15.922 4.047 -1.463 1.00 0.00 H new ATOM 0 HE3 LYS A 44 15.349 4.185 -3.114 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 17.229 5.634 -2.715 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 15.845 6.556 -3.059 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 16.401 6.422 -1.460 1.00 0.00 H new ATOM 670 N SER A 45 11.066 1.845 -1.201 1.00 0.00 N ATOM 671 CA SER A 45 11.058 0.405 -1.396 1.00 0.00 C ATOM 672 C SER A 45 12.446 -0.170 -1.107 1.00 0.00 C ATOM 673 O SER A 45 13.458 0.456 -1.416 1.00 0.00 O ATOM 674 CB SER A 45 10.620 0.044 -2.817 1.00 0.00 C ATOM 675 OG SER A 45 9.210 -0.145 -2.909 1.00 0.00 O ATOM 0 H SER A 45 11.072 2.392 -2.062 1.00 0.00 H new ATOM 0 HA SER A 45 10.339 -0.030 -0.701 1.00 0.00 H new ATOM 0 HB2 SER A 45 10.925 0.835 -3.502 1.00 0.00 H new ATOM 0 HB3 SER A 45 11.129 -0.866 -3.133 1.00 0.00 H new ATOM 0 HG SER A 45 8.950 -0.214 -3.851 1.00 0.00 H new ATOM 681 N SER A 46 12.449 -1.356 -0.516 1.00 0.00 N ATOM 682 CA SER A 46 13.696 -2.023 -0.181 1.00 0.00 C ATOM 683 C SER A 46 13.781 -3.368 -0.905 1.00 0.00 C ATOM 684 O SER A 46 12.855 -3.753 -1.617 1.00 0.00 O ATOM 685 CB SER A 46 13.824 -2.224 1.330 1.00 0.00 C ATOM 686 OG SER A 46 12.905 -3.197 1.819 1.00 0.00 O ATOM 0 H SER A 46 11.607 -1.872 -0.260 1.00 0.00 H new ATOM 0 HA SER A 46 14.521 -1.390 -0.507 1.00 0.00 H new ATOM 0 HB2 SER A 46 14.841 -2.534 1.570 1.00 0.00 H new ATOM 0 HB3 SER A 46 13.652 -1.275 1.838 1.00 0.00 H new ATOM 0 HG SER A 46 12.095 -3.188 1.268 1.00 0.00 H new ATOM 692 N LEU A 47 14.900 -4.045 -0.698 1.00 0.00 N ATOM 693 CA LEU A 47 15.118 -5.340 -1.322 1.00 0.00 C ATOM 694 C LEU A 47 14.317 -6.405 -0.570 1.00 0.00 C ATOM 695 O LEU A 47 13.495 -7.101 -1.164 1.00 0.00 O ATOM 696 CB LEU A 47 16.614 -5.646 -1.412 1.00 0.00 C ATOM 697 CG LEU A 47 17.377 -4.940 -2.535 1.00 0.00 C ATOM 698 CD1 LEU A 47 18.856 -4.781 -2.178 1.00 0.00 C ATOM 699 CD2 LEU A 47 17.184 -5.666 -3.868 1.00 0.00 C ATOM 0 H LEU A 47 15.666 -3.722 -0.107 1.00 0.00 H new ATOM 0 HA LEU A 47 14.755 -5.334 -2.350 1.00 0.00 H new ATOM 0 HB2 LEU A 47 17.077 -5.379 -0.462 1.00 0.00 H new ATOM 0 HB3 LEU A 47 16.738 -6.722 -1.536 1.00 0.00 H new ATOM 0 HG LEU A 47 16.965 -3.938 -2.651 1.00 0.00 H new ATOM 0 HD11 LEU A 47 19.375 -4.276 -2.993 1.00 0.00 H new ATOM 0 HD12 LEU A 47 18.949 -4.189 -1.267 1.00 0.00 H new ATOM 0 HD13 LEU A 47 19.300 -5.764 -2.019 1.00 0.00 H new ATOM 0 HD21 LEU A 47 17.736 -5.144 -4.650 1.00 0.00 H new ATOM 0 HD22 LEU A 47 17.554 -6.688 -3.783 1.00 0.00 H new ATOM 0 HD23 LEU A 47 16.124 -5.684 -4.123 1.00 0.00 H new ATOM 709 N LEU A 48 14.584 -6.497 0.724 1.00 0.00 N ATOM 710 CA LEU A 48 13.898 -7.465 1.563 1.00 0.00 C ATOM 711 C LEU A 48 12.391 -7.372 1.313 1.00 0.00 C ATOM 712 O LEU A 48 11.767 -8.345 0.893 1.00 0.00 O ATOM 713 CB LEU A 48 14.292 -7.278 3.029 1.00 0.00 C ATOM 714 CG LEU A 48 13.655 -8.251 4.024 1.00 0.00 C ATOM 715 CD1 LEU A 48 14.248 -9.654 3.875 1.00 0.00 C ATOM 716 CD2 LEU A 48 13.775 -7.727 5.456 1.00 0.00 C ATOM 0 H LEU A 48 15.266 -5.917 1.212 1.00 0.00 H new ATOM 0 HA LEU A 48 14.202 -8.479 1.303 1.00 0.00 H new ATOM 0 HB2 LEU A 48 15.376 -7.367 3.108 1.00 0.00 H new ATOM 0 HB3 LEU A 48 14.033 -6.262 3.328 1.00 0.00 H new ATOM 0 HG LEU A 48 12.592 -8.325 3.796 1.00 0.00 H new ATOM 0 HD11 LEU A 48 13.778 -10.326 4.593 1.00 0.00 H new ATOM 0 HD12 LEU A 48 14.067 -10.020 2.864 1.00 0.00 H new ATOM 0 HD13 LEU A 48 15.321 -9.617 4.061 1.00 0.00 H new ATOM 0 HD21 LEU A 48 13.315 -8.437 6.143 1.00 0.00 H new ATOM 0 HD22 LEU A 48 14.828 -7.605 5.712 1.00 0.00 H new ATOM 0 HD23 LEU A 48 13.269 -6.765 5.535 1.00 0.00 H new ATOM 726 N VAL A 49 11.851 -6.193 1.584 1.00 0.00 N ATOM 727 CA VAL A 49 10.429 -5.961 1.394 1.00 0.00 C ATOM 728 C VAL A 49 10.232 -4.809 0.406 1.00 0.00 C ATOM 729 O VAL A 49 11.119 -3.973 0.238 1.00 0.00 O ATOM 730 CB VAL A 49 9.755 -5.711 2.745 1.00 0.00 C ATOM 731 CG1 VAL A 49 9.744 -6.984 3.595 1.00 0.00 C ATOM 732 CG2 VAL A 49 10.431 -4.559 3.491 1.00 0.00 C ATOM 0 H VAL A 49 12.372 -5.389 1.933 1.00 0.00 H new ATOM 0 HA VAL A 49 9.952 -6.842 0.965 1.00 0.00 H new ATOM 0 HB VAL A 49 8.720 -5.425 2.556 1.00 0.00 H new ATOM 0 HG11 VAL A 49 9.260 -6.780 4.550 1.00 0.00 H new ATOM 0 HG12 VAL A 49 9.196 -7.767 3.071 1.00 0.00 H new ATOM 0 HG13 VAL A 49 10.768 -7.313 3.771 1.00 0.00 H new ATOM 0 HG21 VAL A 49 9.932 -4.403 4.448 1.00 0.00 H new ATOM 0 HG22 VAL A 49 11.479 -4.803 3.664 1.00 0.00 H new ATOM 0 HG23 VAL A 49 10.364 -3.650 2.894 1.00 0.00 H new ATOM 740 N LYS A 50 9.065 -4.803 -0.220 1.00 0.00 N ATOM 741 CA LYS A 50 8.741 -3.767 -1.187 1.00 0.00 C ATOM 742 C LYS A 50 7.344 -3.219 -0.891 1.00 0.00 C ATOM 743 O LYS A 50 6.502 -3.921 -0.333 1.00 0.00 O ATOM 744 CB LYS A 50 8.904 -4.296 -2.614 1.00 0.00 C ATOM 745 CG LYS A 50 10.288 -3.955 -3.170 1.00 0.00 C ATOM 746 CD LYS A 50 10.175 -3.182 -4.485 1.00 0.00 C ATOM 747 CE LYS A 50 11.559 -2.833 -5.036 1.00 0.00 C ATOM 748 NZ LYS A 50 11.606 -3.056 -6.499 1.00 0.00 N ATOM 0 H LYS A 50 8.332 -5.498 -0.077 1.00 0.00 H new ATOM 0 HA LYS A 50 9.437 -2.933 -1.099 1.00 0.00 H new ATOM 0 HB2 LYS A 50 8.760 -5.376 -2.624 1.00 0.00 H new ATOM 0 HB3 LYS A 50 8.134 -3.866 -3.255 1.00 0.00 H new ATOM 0 HG2 LYS A 50 10.840 -3.362 -2.441 1.00 0.00 H new ATOM 0 HG3 LYS A 50 10.855 -4.872 -3.330 1.00 0.00 H new ATOM 0 HD2 LYS A 50 9.628 -3.778 -5.216 1.00 0.00 H new ATOM 0 HD3 LYS A 50 9.602 -2.269 -4.326 1.00 0.00 H new ATOM 0 HE2 LYS A 50 11.794 -1.792 -4.813 1.00 0.00 H new ATOM 0 HE3 LYS A 50 12.317 -3.443 -4.545 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 12.552 -2.814 -6.857 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 11.403 -4.055 -6.705 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 10.896 -2.455 -6.965 1.00 0.00 H new ATOM 761 N TYR A 51 7.140 -1.968 -1.277 1.00 0.00 N ATOM 762 CA TYR A 51 5.859 -1.317 -1.060 1.00 0.00 C ATOM 763 C TYR A 51 5.380 -0.611 -2.330 1.00 0.00 C ATOM 764 O TYR A 51 6.191 -0.160 -3.138 1.00 0.00 O ATOM 765 CB TYR A 51 6.098 -0.271 0.031 1.00 0.00 C ATOM 766 CG TYR A 51 6.961 -0.768 1.192 1.00 0.00 C ATOM 767 CD1 TYR A 51 6.725 -2.010 1.745 1.00 0.00 C ATOM 768 CD2 TYR A 51 7.976 0.026 1.686 1.00 0.00 C ATOM 769 CE1 TYR A 51 7.538 -2.478 2.838 1.00 0.00 C ATOM 770 CE2 TYR A 51 8.789 -0.442 2.779 1.00 0.00 C ATOM 771 CZ TYR A 51 8.530 -1.671 3.301 1.00 0.00 C ATOM 772 OH TYR A 51 9.297 -2.113 4.333 1.00 0.00 O ATOM 0 H TYR A 51 7.840 -1.388 -1.739 1.00 0.00 H new ATOM 0 HA TYR A 51 5.100 -2.047 -0.781 1.00 0.00 H new ATOM 0 HB2 TYR A 51 6.575 0.602 -0.415 1.00 0.00 H new ATOM 0 HB3 TYR A 51 5.135 0.057 0.422 1.00 0.00 H new ATOM 0 HD1 TYR A 51 5.931 -2.631 1.358 1.00 0.00 H new ATOM 0 HD2 TYR A 51 8.161 0.998 1.253 1.00 0.00 H new ATOM 0 HE1 TYR A 51 7.364 -3.448 3.280 1.00 0.00 H new ATOM 0 HE2 TYR A 51 9.586 0.169 3.175 1.00 0.00 H new ATOM 0 HH TYR A 51 9.966 -1.433 4.558 1.00 0.00 H new ATOM 782 N VAL A 52 4.064 -0.538 -2.468 1.00 0.00 N ATOM 783 CA VAL A 52 3.468 0.104 -3.627 1.00 0.00 C ATOM 784 C VAL A 52 2.290 0.969 -3.174 1.00 0.00 C ATOM 785 O VAL A 52 1.475 0.538 -2.360 1.00 0.00 O ATOM 786 CB VAL A 52 3.073 -0.949 -4.664 1.00 0.00 C ATOM 787 CG1 VAL A 52 2.220 -0.332 -5.774 1.00 0.00 C ATOM 788 CG2 VAL A 52 4.309 -1.640 -5.241 1.00 0.00 C ATOM 0 H VAL A 52 3.394 -0.913 -1.796 1.00 0.00 H new ATOM 0 HA VAL A 52 4.188 0.763 -4.112 1.00 0.00 H new ATOM 0 HB VAL A 52 2.471 -1.706 -4.161 1.00 0.00 H new ATOM 0 HG11 VAL A 52 1.953 -1.102 -6.498 1.00 0.00 H new ATOM 0 HG12 VAL A 52 1.313 0.091 -5.343 1.00 0.00 H new ATOM 0 HG13 VAL A 52 2.786 0.455 -6.273 1.00 0.00 H new ATOM 0 HG21 VAL A 52 4.000 -2.384 -5.976 1.00 0.00 H new ATOM 0 HG22 VAL A 52 4.949 -0.900 -5.721 1.00 0.00 H new ATOM 0 HG23 VAL A 52 4.860 -2.130 -4.438 1.00 0.00 H new ATOM 796 N CYS A 53 2.237 2.175 -3.721 1.00 0.00 N ATOM 797 CA CYS A 53 1.172 3.104 -3.384 1.00 0.00 C ATOM 798 C CYS A 53 0.395 3.428 -4.661 1.00 0.00 C ATOM 799 O CYS A 53 0.927 3.308 -5.764 1.00 0.00 O ATOM 800 CB CYS A 53 1.715 4.367 -2.712 1.00 0.00 C ATOM 801 SG CYS A 53 1.698 4.330 -0.882 1.00 0.00 S ATOM 0 H CYS A 53 2.915 2.530 -4.395 1.00 0.00 H new ATOM 0 HA CYS A 53 0.501 2.644 -2.658 1.00 0.00 H new ATOM 0 HB2 CYS A 53 2.739 4.529 -3.049 1.00 0.00 H new ATOM 0 HB3 CYS A 53 1.129 5.222 -3.050 1.00 0.00 H new ATOM 806 N CYS A 54 -0.853 3.831 -4.470 1.00 0.00 N ATOM 807 CA CYS A 54 -1.709 4.173 -5.593 1.00 0.00 C ATOM 808 C CYS A 54 -2.965 4.857 -5.049 1.00 0.00 C ATOM 809 O CYS A 54 -3.423 4.540 -3.952 1.00 0.00 O ATOM 810 CB CYS A 54 -2.049 2.944 -6.439 1.00 0.00 C ATOM 811 SG CYS A 54 -2.063 1.361 -5.522 1.00 0.00 S ATOM 0 H CYS A 54 -1.292 3.928 -3.554 1.00 0.00 H new ATOM 0 HA CYS A 54 -1.184 4.857 -6.259 1.00 0.00 H new ATOM 0 HB2 CYS A 54 -3.028 3.093 -6.894 1.00 0.00 H new ATOM 0 HB3 CYS A 54 -1.328 2.870 -7.253 1.00 0.00 H new ATOM 816 N ASN A 55 -3.486 5.782 -5.842 1.00 0.00 N ATOM 817 CA ASN A 55 -4.680 6.513 -5.453 1.00 0.00 C ATOM 818 C ASN A 55 -5.852 6.072 -6.332 1.00 0.00 C ATOM 819 O ASN A 55 -6.374 6.860 -7.119 1.00 0.00 O ATOM 820 CB ASN A 55 -4.489 8.020 -5.642 1.00 0.00 C ATOM 821 CG ASN A 55 -3.907 8.330 -7.022 1.00 0.00 C ATOM 822 OD1 ASN A 55 -3.937 7.519 -7.934 1.00 0.00 O ATOM 823 ND2 ASN A 55 -3.377 9.545 -7.125 1.00 0.00 N ATOM 0 H ASN A 55 -3.104 6.042 -6.751 1.00 0.00 H new ATOM 0 HA ASN A 55 -4.876 6.303 -4.402 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -5.446 8.529 -5.524 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -3.825 8.406 -4.868 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -2.963 9.848 -8.007 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -3.385 10.175 -6.323 1.00 0.00 H new ATOM 830 N THR A 56 -6.231 4.813 -6.168 1.00 0.00 N ATOM 831 CA THR A 56 -7.332 4.257 -6.937 1.00 0.00 C ATOM 832 C THR A 56 -8.140 3.280 -6.081 1.00 0.00 C ATOM 833 O THR A 56 -7.637 2.754 -5.089 1.00 0.00 O ATOM 834 CB THR A 56 -6.752 3.620 -8.201 1.00 0.00 C ATOM 835 OG1 THR A 56 -5.745 2.737 -7.714 1.00 0.00 O ATOM 836 CG2 THR A 56 -5.982 4.624 -9.062 1.00 0.00 C ATOM 0 H THR A 56 -5.796 4.162 -5.514 1.00 0.00 H new ATOM 0 HA THR A 56 -8.034 5.033 -7.240 1.00 0.00 H new ATOM 0 HB THR A 56 -7.558 3.181 -8.789 1.00 0.00 H new ATOM 0 HG1 THR A 56 -5.611 2.008 -8.355 1.00 0.00 H new ATOM 0 HG21 THR A 56 -5.591 4.121 -9.946 1.00 0.00 H new ATOM 0 HG22 THR A 56 -6.650 5.429 -9.368 1.00 0.00 H new ATOM 0 HG23 THR A 56 -5.155 5.039 -8.486 1.00 0.00 H new ATOM 843 N ASP A 57 -9.395 3.041 -6.469 1.00 0.00 N ATOM 844 CA ASP A 57 -10.262 2.136 -5.741 1.00 0.00 C ATOM 845 C ASP A 57 -9.711 0.720 -5.820 1.00 0.00 C ATOM 846 O ASP A 57 -9.413 0.228 -6.906 1.00 0.00 O ATOM 847 CB ASP A 57 -11.670 2.203 -6.325 1.00 0.00 C ATOM 848 CG ASP A 57 -12.514 3.237 -5.594 1.00 0.00 C ATOM 849 OD1 ASP A 57 -12.255 3.430 -4.386 1.00 0.00 O ATOM 850 OD2 ASP A 57 -13.401 3.817 -6.257 1.00 0.00 O ATOM 0 H ASP A 57 -9.827 3.468 -7.288 1.00 0.00 H new ATOM 0 HA ASP A 57 -10.304 2.430 -4.692 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -11.617 2.455 -7.384 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -12.144 1.224 -6.253 1.00 0.00 H new ATOM 856 N LYS A 58 -9.589 0.099 -4.655 1.00 0.00 N ATOM 857 CA LYS A 58 -9.076 -1.258 -4.582 1.00 0.00 C ATOM 858 C LYS A 58 -7.749 -1.339 -5.339 1.00 0.00 C ATOM 859 O LYS A 58 -7.601 -2.148 -6.254 1.00 0.00 O ATOM 860 CB LYS A 58 -10.127 -2.256 -5.073 1.00 0.00 C ATOM 861 CG LYS A 58 -9.864 -3.653 -4.507 1.00 0.00 C ATOM 862 CD LYS A 58 -10.698 -4.707 -5.239 1.00 0.00 C ATOM 863 CE LYS A 58 -9.888 -5.368 -6.355 1.00 0.00 C ATOM 864 NZ LYS A 58 -10.665 -6.462 -6.980 1.00 0.00 N ATOM 0 H LYS A 58 -9.837 0.511 -3.755 1.00 0.00 H new ATOM 0 HA LYS A 58 -8.870 -1.532 -3.547 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -11.120 -1.920 -4.775 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -10.117 -2.293 -6.162 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -8.805 -3.893 -4.600 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -10.103 -3.669 -3.444 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -11.035 -5.465 -4.532 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -11.591 -4.243 -5.658 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -9.622 -4.626 -7.108 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -8.955 -5.761 -5.952 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -10.101 -6.901 -7.736 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -10.897 -7.177 -6.262 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -11.544 -6.078 -7.382 1.00 0.00 H new ATOM 877 N CYS A 59 -6.818 -0.489 -4.931 1.00 0.00 N ATOM 878 CA CYS A 59 -5.509 -0.454 -5.560 1.00 0.00 C ATOM 879 C CYS A 59 -4.540 -1.264 -4.697 1.00 0.00 C ATOM 880 O CYS A 59 -3.797 -2.101 -5.209 1.00 0.00 O ATOM 881 CB CYS A 59 -5.022 0.980 -5.773 1.00 0.00 C ATOM 882 SG CYS A 59 -3.859 1.593 -4.499 1.00 0.00 S ATOM 0 H CYS A 59 -6.945 0.181 -4.172 1.00 0.00 H new ATOM 0 HA CYS A 59 -5.568 -0.899 -6.553 1.00 0.00 H new ATOM 0 HB2 CYS A 59 -4.538 1.043 -6.747 1.00 0.00 H new ATOM 0 HB3 CYS A 59 -5.887 1.642 -5.803 1.00 0.00 H new ATOM 887 N ASN A 60 -4.578 -0.988 -3.402 1.00 0.00 N ATOM 888 CA ASN A 60 -3.712 -1.680 -2.463 1.00 0.00 C ATOM 889 C ASN A 60 -4.342 -3.024 -2.091 1.00 0.00 C ATOM 890 O ASN A 60 -5.213 -3.523 -2.802 1.00 0.00 O ATOM 891 CB ASN A 60 -3.534 -0.870 -1.177 1.00 0.00 C ATOM 892 CG ASN A 60 -4.755 -1.012 -0.266 1.00 0.00 C ATOM 893 OD1 ASN A 60 -5.880 -1.164 -0.712 1.00 0.00 O ATOM 894 ND2 ASN A 60 -4.471 -0.953 1.032 1.00 0.00 N ATOM 0 H ASN A 60 -5.195 -0.294 -2.981 1.00 0.00 H new ATOM 0 HA ASN A 60 -2.741 -1.819 -2.939 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -2.642 -1.208 -0.650 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -3.380 0.181 -1.423 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -5.218 -1.037 1.722 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -3.506 -0.824 1.338 1.00 0.00 H new