USER MOD reduce.3.24.130724 H: found=0, std=0, add=379, rem=0, adj=6 USER MOD reduce.3.24.130724 removed 379 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 HIS : no HD1:sc= -4.04 X(o=-4,f=-4.2) USER MOD Single : A 3 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 ASN : amide:sc= -0.385 X(o=-0.38,f=-0.21) USER MOD Single : A 15 ASN : amide:sc= -0.0157 X(o=-0.016,f=0) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 HIS : no HE2:sc= -19.8! C(o=-20!,f=-23!) USER MOD Single : A 35 ASN : amide:sc= -4.59! C(o=-4.6!,f=-7.8!) USER MOD Single : A 36 MET CE :methyl 164:sc= -0.222 (180deg=-0.884) USER MOD Single : A 43 HIS : no HE2:sc= -9.8! C(o=-9.8!,f=-11!) USER MOD Single : A 49 TYR OH : rot -66:sc= 0.977 USER MOD Single : A 50 SER OG : rot 180:sc= -0.224 USER MOD Single : A 51 ASN : amide:sc= -2.11 K(o=-2.1,f=-1.5!) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 12.187 -3.169 -2.277 1.00 0.00 N ATOM 2 CA ALA A 1 10.830 -3.000 -1.696 1.00 0.00 C ATOM 3 C ALA A 1 9.922 -2.223 -2.644 1.00 0.00 C ATOM 4 O ALA A 1 9.554 -1.079 -2.371 1.00 0.00 O ATOM 5 CB ALA A 1 10.918 -2.293 -0.352 1.00 0.00 C ATOM 0 H1 ALA A 1 12.785 -3.701 -1.613 1.00 0.00 H new ATOM 0 H2 ALA A 1 12.118 -3.690 -3.174 1.00 0.00 H new ATOM 0 H3 ALA A 1 12.609 -2.235 -2.451 1.00 0.00 H new ATOM 0 HA ALA A 1 10.398 -3.990 -1.548 1.00 0.00 H new ATOM 0 HB1 ALA A 1 9.917 -2.175 0.063 1.00 0.00 H new ATOM 0 HB2 ALA A 1 11.527 -2.885 0.331 1.00 0.00 H new ATOM 0 HB3 ALA A 1 11.373 -1.312 -0.486 1.00 0.00 H new ATOM 13 N HIS A 2 9.562 -2.849 -3.760 1.00 0.00 N ATOM 14 CA HIS A 2 8.694 -2.213 -4.746 1.00 0.00 C ATOM 15 C HIS A 2 7.555 -3.145 -5.147 1.00 0.00 C ATOM 16 O HIS A 2 7.363 -3.449 -6.324 1.00 0.00 O ATOM 17 CB HIS A 2 9.507 -1.796 -5.976 1.00 0.00 C ATOM 18 CG HIS A 2 9.599 -0.313 -6.157 1.00 0.00 C ATOM 19 ND1 HIS A 2 8.941 0.365 -7.162 1.00 0.00 N ATOM 20 CD2 HIS A 2 10.272 0.626 -5.451 1.00 0.00 C ATOM 21 CE1 HIS A 2 9.208 1.656 -7.067 1.00 0.00 C ATOM 22 NE2 HIS A 2 10.012 1.840 -6.037 1.00 0.00 N ATOM 0 H HIS A 2 9.857 -3.794 -4.004 1.00 0.00 H new ATOM 0 HA HIS A 2 8.258 -1.321 -4.297 1.00 0.00 H new ATOM 0 HB2 HIS A 2 10.513 -2.207 -5.893 1.00 0.00 H new ATOM 0 HB3 HIS A 2 9.056 -2.235 -6.866 1.00 0.00 H new ATOM 0 HD2 HIS A 2 10.897 0.452 -4.588 1.00 0.00 H new ATOM 0 HE1 HIS A 2 8.832 2.429 -7.721 1.00 0.00 H new ATOM 0 HE2 HIS A 2 10.381 2.739 -5.726 1.00 0.00 H new ATOM 31 N MET A 3 6.803 -3.588 -4.150 1.00 0.00 N ATOM 32 CA MET A 3 5.673 -4.490 -4.377 1.00 0.00 C ATOM 33 C MET A 3 4.848 -4.671 -3.105 1.00 0.00 C ATOM 34 O MET A 3 5.353 -5.168 -2.100 1.00 0.00 O ATOM 35 CB MET A 3 6.173 -5.852 -4.865 1.00 0.00 C ATOM 36 CG MET A 3 6.264 -5.963 -6.380 1.00 0.00 C ATOM 37 SD MET A 3 7.952 -6.221 -6.961 1.00 0.00 S ATOM 38 CE MET A 3 7.721 -7.604 -8.075 1.00 0.00 C ATOM 0 H MET A 3 6.952 -3.339 -3.172 1.00 0.00 H new ATOM 0 HA MET A 3 5.036 -4.043 -5.140 1.00 0.00 H new ATOM 0 HB2 MET A 3 7.157 -6.043 -4.436 1.00 0.00 H new ATOM 0 HB3 MET A 3 5.506 -6.629 -4.492 1.00 0.00 H new ATOM 0 HG2 MET A 3 5.638 -6.789 -6.718 1.00 0.00 H new ATOM 0 HG3 MET A 3 5.864 -5.055 -6.831 1.00 0.00 H new ATOM 0 HE1 MET A 3 8.679 -7.881 -8.515 1.00 0.00 H new ATOM 0 HE2 MET A 3 7.316 -8.452 -7.523 1.00 0.00 H new ATOM 0 HE3 MET A 3 7.027 -7.322 -8.866 1.00 0.00 H new ATOM 48 N ASP A 4 3.576 -4.283 -3.151 1.00 0.00 N ATOM 49 CA ASP A 4 2.696 -4.424 -1.992 1.00 0.00 C ATOM 50 C ASP A 4 1.228 -4.486 -2.417 1.00 0.00 C ATOM 51 O ASP A 4 0.391 -3.741 -1.907 1.00 0.00 O ATOM 52 CB ASP A 4 2.917 -3.264 -1.010 1.00 0.00 C ATOM 53 CG ASP A 4 2.412 -1.938 -1.548 1.00 0.00 C ATOM 54 OD1 ASP A 4 2.629 -1.663 -2.748 1.00 0.00 O ATOM 55 OD2 ASP A 4 1.802 -1.174 -0.772 1.00 0.00 O ATOM 0 H ASP A 4 3.133 -3.871 -3.972 1.00 0.00 H new ATOM 0 HA ASP A 4 2.943 -5.361 -1.494 1.00 0.00 H new ATOM 0 HB2 ASP A 4 2.411 -3.487 -0.071 1.00 0.00 H new ATOM 0 HB3 ASP A 4 3.981 -3.180 -0.787 1.00 0.00 H new ATOM 60 N CYS A 5 0.924 -5.381 -3.356 1.00 0.00 N ATOM 61 CA CYS A 5 -0.442 -5.538 -3.852 1.00 0.00 C ATOM 62 C CYS A 5 -1.266 -6.439 -2.941 1.00 0.00 C ATOM 63 O CYS A 5 -0.733 -7.071 -2.030 1.00 0.00 O ATOM 64 CB CYS A 5 -0.427 -6.098 -5.275 1.00 0.00 C ATOM 65 SG CYS A 5 -0.461 -4.818 -6.574 1.00 0.00 S ATOM 0 H CYS A 5 1.604 -6.007 -3.788 1.00 0.00 H new ATOM 0 HA CYS A 5 -0.909 -4.553 -3.860 1.00 0.00 H new ATOM 0 HB2 CYS A 5 0.466 -6.710 -5.405 1.00 0.00 H new ATOM 0 HB3 CYS A 5 -1.286 -6.756 -5.405 1.00 0.00 H new ATOM 70 N THR A 6 -2.578 -6.485 -3.185 1.00 0.00 N ATOM 71 CA THR A 6 -3.471 -7.299 -2.374 1.00 0.00 C ATOM 72 C THR A 6 -2.980 -8.742 -2.289 1.00 0.00 C ATOM 73 O THR A 6 -2.588 -9.198 -1.216 1.00 0.00 O ATOM 74 CB THR A 6 -4.911 -7.245 -2.904 1.00 0.00 C ATOM 75 OG1 THR A 6 -5.761 -8.060 -2.119 1.00 0.00 O ATOM 76 CG2 THR A 6 -5.061 -7.687 -4.343 1.00 0.00 C ATOM 0 H THR A 6 -3.039 -5.969 -3.935 1.00 0.00 H new ATOM 0 HA THR A 6 -3.468 -6.882 -1.367 1.00 0.00 H new ATOM 0 HB THR A 6 -5.188 -6.193 -2.844 1.00 0.00 H new ATOM 0 HG1 THR A 6 -6.675 -8.013 -2.470 1.00 0.00 H new ATOM 0 HG21 THR A 6 -6.108 -7.618 -4.637 1.00 0.00 H new ATOM 0 HG22 THR A 6 -4.460 -7.043 -4.986 1.00 0.00 H new ATOM 0 HG23 THR A 6 -4.723 -8.718 -4.444 1.00 0.00 H new ATOM 84 N GLU A 7 -2.992 -9.465 -3.412 1.00 0.00 N ATOM 85 CA GLU A 7 -2.537 -10.846 -3.411 1.00 0.00 C ATOM 86 C GLU A 7 -2.681 -11.502 -4.787 1.00 0.00 C ATOM 87 O GLU A 7 -2.083 -12.547 -5.039 1.00 0.00 O ATOM 88 CB GLU A 7 -3.296 -11.649 -2.343 1.00 0.00 C ATOM 89 CG GLU A 7 -4.347 -12.604 -2.894 1.00 0.00 C ATOM 90 CD GLU A 7 -5.049 -13.390 -1.805 1.00 0.00 C ATOM 91 OE1 GLU A 7 -5.780 -12.771 -1.003 1.00 0.00 O ATOM 92 OE2 GLU A 7 -4.868 -14.624 -1.752 1.00 0.00 O ATOM 0 H GLU A 7 -3.308 -9.118 -4.318 1.00 0.00 H new ATOM 0 HA GLU A 7 -1.474 -10.845 -3.170 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -2.576 -12.221 -1.758 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -3.781 -10.952 -1.659 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -5.085 -12.037 -3.461 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -3.874 -13.297 -3.590 1.00 0.00 H new ATOM 99 N PHE A 8 -3.499 -10.917 -5.667 1.00 0.00 N ATOM 100 CA PHE A 8 -3.712 -11.515 -6.988 1.00 0.00 C ATOM 101 C PHE A 8 -4.167 -10.475 -8.022 1.00 0.00 C ATOM 102 O PHE A 8 -3.783 -9.309 -7.944 1.00 0.00 O ATOM 103 CB PHE A 8 -4.728 -12.668 -6.868 1.00 0.00 C ATOM 104 CG PHE A 8 -5.746 -12.482 -5.774 1.00 0.00 C ATOM 105 CD1 PHE A 8 -6.238 -11.222 -5.468 1.00 0.00 C ATOM 106 CD2 PHE A 8 -6.207 -13.570 -5.051 1.00 0.00 C ATOM 107 CE1 PHE A 8 -7.168 -11.053 -4.461 1.00 0.00 C ATOM 108 CE2 PHE A 8 -7.139 -13.406 -4.043 1.00 0.00 C ATOM 109 CZ PHE A 8 -7.620 -12.145 -3.748 1.00 0.00 C ATOM 0 H PHE A 8 -4.013 -10.052 -5.496 1.00 0.00 H new ATOM 0 HA PHE A 8 -2.762 -11.911 -7.347 1.00 0.00 H new ATOM 0 HB2 PHE A 8 -5.249 -12.779 -7.819 1.00 0.00 H new ATOM 0 HB3 PHE A 8 -4.187 -13.597 -6.691 1.00 0.00 H new ATOM 0 HD1 PHE A 8 -5.890 -10.363 -6.023 1.00 0.00 H new ATOM 0 HD2 PHE A 8 -5.834 -14.558 -5.277 1.00 0.00 H new ATOM 0 HE1 PHE A 8 -7.542 -10.066 -4.231 1.00 0.00 H new ATOM 0 HE2 PHE A 8 -7.491 -14.263 -3.487 1.00 0.00 H new ATOM 0 HZ PHE A 8 -8.348 -12.014 -2.961 1.00 0.00 H new ATOM 119 N ASN A 9 -4.973 -10.905 -9.000 1.00 0.00 N ATOM 120 CA ASN A 9 -5.452 -10.008 -10.046 1.00 0.00 C ATOM 121 C ASN A 9 -6.427 -8.985 -9.476 1.00 0.00 C ATOM 122 O ASN A 9 -6.201 -7.783 -9.601 1.00 0.00 O ATOM 123 CB ASN A 9 -6.117 -10.796 -11.182 1.00 0.00 C ATOM 124 CG ASN A 9 -5.478 -12.153 -11.414 1.00 0.00 C ATOM 125 OD1 ASN A 9 -6.167 -13.167 -11.521 1.00 0.00 O ATOM 126 ND2 ASN A 9 -4.152 -12.177 -11.488 1.00 0.00 N ATOM 0 H ASN A 9 -5.304 -11.866 -9.085 1.00 0.00 H new ATOM 0 HA ASN A 9 -4.590 -9.479 -10.452 1.00 0.00 H new ATOM 0 HB2 ASN A 9 -7.174 -10.932 -10.952 1.00 0.00 H new ATOM 0 HB3 ASN A 9 -6.063 -10.213 -12.101 1.00 0.00 H new ATOM 0 HD21 ASN A 9 -3.666 -13.061 -11.639 1.00 0.00 H new ATOM 0 HD22 ASN A 9 -3.620 -11.312 -11.394 1.00 0.00 H new ATOM 133 N PRO A 10 -7.520 -9.432 -8.821 1.00 0.00 N ATOM 134 CA PRO A 10 -8.487 -8.511 -8.224 1.00 0.00 C ATOM 135 C PRO A 10 -7.816 -7.637 -7.173 1.00 0.00 C ATOM 136 O PRO A 10 -7.920 -7.888 -5.973 1.00 0.00 O ATOM 137 CB PRO A 10 -9.540 -9.424 -7.587 1.00 0.00 C ATOM 138 CG PRO A 10 -8.902 -10.770 -7.493 1.00 0.00 C ATOM 139 CD PRO A 10 -7.882 -10.843 -8.596 1.00 0.00 C ATOM 0 HA PRO A 10 -8.921 -7.829 -8.955 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -9.831 -9.059 -6.602 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -10.445 -9.461 -8.193 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -8.430 -10.908 -6.520 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -9.646 -11.559 -7.601 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -7.017 -11.438 -8.304 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -8.295 -11.300 -9.495 1.00 0.00 H new ATOM 147 N LEU A 11 -7.102 -6.625 -7.652 1.00 0.00 N ATOM 148 CA LEU A 11 -6.366 -5.702 -6.798 1.00 0.00 C ATOM 149 C LEU A 11 -7.234 -5.092 -5.711 1.00 0.00 C ATOM 150 O LEU A 11 -8.287 -5.622 -5.375 1.00 0.00 O ATOM 151 CB LEU A 11 -5.696 -4.627 -7.660 1.00 0.00 C ATOM 152 CG LEU A 11 -6.597 -3.887 -8.662 1.00 0.00 C ATOM 153 CD1 LEU A 11 -6.523 -4.547 -10.031 1.00 0.00 C ATOM 154 CD2 LEU A 11 -8.042 -3.823 -8.181 1.00 0.00 C ATOM 0 H LEU A 11 -7.017 -6.421 -8.648 1.00 0.00 H new ATOM 0 HA LEU A 11 -5.595 -6.268 -6.276 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -5.247 -3.889 -6.996 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -4.882 -5.094 -8.214 1.00 0.00 H new ATOM 0 HG LEU A 11 -6.230 -2.864 -8.741 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -7.167 -4.011 -10.729 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -5.495 -4.521 -10.392 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -6.854 -5.583 -9.954 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -8.647 -3.292 -8.916 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -8.429 -4.834 -8.055 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -8.085 -3.296 -7.228 1.00 0.00 H new ATOM 166 N CYS A 12 -6.729 -3.999 -5.142 1.00 0.00 N ATOM 167 CA CYS A 12 -7.366 -3.285 -4.030 1.00 0.00 C ATOM 168 C CYS A 12 -8.830 -3.633 -3.841 1.00 0.00 C ATOM 169 O CYS A 12 -9.724 -2.800 -3.995 1.00 0.00 O ATOM 170 CB CYS A 12 -7.234 -1.779 -4.206 1.00 0.00 C ATOM 171 SG CYS A 12 -8.078 -1.110 -5.672 1.00 0.00 S ATOM 0 H CYS A 12 -5.851 -3.575 -5.443 1.00 0.00 H new ATOM 0 HA CYS A 12 -6.835 -3.611 -3.136 1.00 0.00 H new ATOM 0 HB2 CYS A 12 -7.631 -1.287 -3.318 1.00 0.00 H new ATOM 0 HB3 CYS A 12 -6.176 -1.525 -4.265 1.00 0.00 H new ATOM 176 N ARG A 13 -9.045 -4.871 -3.451 1.00 0.00 N ATOM 177 CA ARG A 13 -10.380 -5.369 -3.164 1.00 0.00 C ATOM 178 C ARG A 13 -10.579 -5.363 -1.655 1.00 0.00 C ATOM 179 O ARG A 13 -11.177 -6.277 -1.085 1.00 0.00 O ATOM 180 CB ARG A 13 -10.566 -6.784 -3.721 1.00 0.00 C ATOM 181 CG ARG A 13 -11.989 -7.079 -4.167 1.00 0.00 C ATOM 182 CD ARG A 13 -12.471 -6.073 -5.199 1.00 0.00 C ATOM 183 NE ARG A 13 -13.325 -5.046 -4.605 1.00 0.00 N ATOM 184 CZ ARG A 13 -14.147 -4.269 -5.309 1.00 0.00 C ATOM 185 NH1 ARG A 13 -14.228 -4.400 -6.627 1.00 0.00 N ATOM 186 NH2 ARG A 13 -14.890 -3.361 -4.693 1.00 0.00 N ATOM 0 H ARG A 13 -8.305 -5.561 -3.323 1.00 0.00 H new ATOM 0 HA ARG A 13 -11.120 -4.728 -3.642 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -9.892 -6.924 -4.566 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -10.276 -7.507 -2.959 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -12.039 -8.084 -4.587 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -12.653 -7.061 -3.303 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -11.611 -5.600 -5.673 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -13.021 -6.593 -5.983 1.00 0.00 H new ATOM 0 HE ARG A 13 -13.290 -4.917 -3.594 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -13.659 -5.098 -7.106 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -14.859 -3.803 -7.161 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -14.833 -3.257 -3.680 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -15.519 -2.766 -5.232 1.00 0.00 H new ATOM 200 N CYS A 14 -10.036 -4.329 -1.018 1.00 0.00 N ATOM 201 CA CYS A 14 -10.101 -4.186 0.427 1.00 0.00 C ATOM 202 C CYS A 14 -10.131 -2.714 0.828 1.00 0.00 C ATOM 203 O CYS A 14 -9.181 -1.973 0.576 1.00 0.00 O ATOM 204 CB CYS A 14 -8.891 -4.869 1.077 1.00 0.00 C ATOM 205 SG CYS A 14 -7.522 -5.246 -0.071 1.00 0.00 S ATOM 0 H CYS A 14 -9.541 -3.572 -1.490 1.00 0.00 H new ATOM 0 HA CYS A 14 -11.019 -4.661 0.774 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -8.513 -4.228 1.874 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -9.222 -5.797 1.544 1.00 0.00 H new ATOM 210 N ASN A 15 -11.221 -2.300 1.460 1.00 0.00 N ATOM 211 CA ASN A 15 -11.367 -0.919 1.906 1.00 0.00 C ATOM 212 C ASN A 15 -10.944 -0.784 3.355 1.00 0.00 C ATOM 213 O ASN A 15 -10.215 0.139 3.704 1.00 0.00 O ATOM 214 CB ASN A 15 -12.814 -0.453 1.753 1.00 0.00 C ATOM 215 CG ASN A 15 -12.945 0.728 0.812 1.00 0.00 C ATOM 216 OD1 ASN A 15 -13.613 0.645 -0.219 1.00 0.00 O ATOM 217 ND2 ASN A 15 -12.306 1.838 1.162 1.00 0.00 N ATOM 0 H ASN A 15 -12.017 -2.900 1.676 1.00 0.00 H new ATOM 0 HA ASN A 15 -10.725 -0.294 1.284 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -13.421 -1.279 1.382 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -13.210 -0.180 2.731 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -12.358 2.665 0.568 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -11.763 1.863 2.025 1.00 0.00 H new ATOM 224 N LYS A 16 -11.431 -1.713 4.182 1.00 0.00 N ATOM 225 CA LYS A 16 -11.159 -1.756 5.625 1.00 0.00 C ATOM 226 C LYS A 16 -9.926 -0.953 6.023 1.00 0.00 C ATOM 227 O LYS A 16 -8.973 -1.486 6.591 1.00 0.00 O ATOM 228 CB LYS A 16 -11.012 -3.208 6.091 1.00 0.00 C ATOM 229 CG LYS A 16 -9.724 -3.875 5.628 1.00 0.00 C ATOM 230 CD LYS A 16 -8.923 -4.418 6.803 1.00 0.00 C ATOM 231 CE LYS A 16 -7.992 -5.540 6.370 1.00 0.00 C ATOM 232 NZ LYS A 16 -6.789 -5.632 7.243 1.00 0.00 N ATOM 0 H LYS A 16 -12.036 -2.470 3.864 1.00 0.00 H new ATOM 0 HA LYS A 16 -12.012 -1.292 6.119 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -11.054 -3.236 7.180 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -11.861 -3.785 5.725 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -9.960 -4.688 4.941 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -9.119 -3.156 5.075 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -8.341 -3.613 7.251 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -9.604 -4.785 7.571 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -8.530 -6.488 6.393 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -7.680 -5.375 5.339 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -6.180 -6.409 6.915 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -6.261 -4.737 7.202 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -7.085 -5.815 8.223 1.00 0.00 H new ATOM 246 N MET A 17 -9.963 0.332 5.715 1.00 0.00 N ATOM 247 CA MET A 17 -8.859 1.235 6.031 1.00 0.00 C ATOM 248 C MET A 17 -8.675 1.384 7.537 1.00 0.00 C ATOM 249 O MET A 17 -8.877 2.460 8.101 1.00 0.00 O ATOM 250 CB MET A 17 -9.099 2.606 5.433 1.00 0.00 C ATOM 251 CG MET A 17 -9.114 2.627 3.913 1.00 0.00 C ATOM 252 SD MET A 17 -8.195 4.018 3.226 1.00 0.00 S ATOM 253 CE MET A 17 -9.195 4.405 1.792 1.00 0.00 C ATOM 0 H MET A 17 -10.749 0.780 5.243 1.00 0.00 H new ATOM 0 HA MET A 17 -7.957 0.798 5.603 1.00 0.00 H new ATOM 0 HB2 MET A 17 -10.051 2.989 5.800 1.00 0.00 H new ATOM 0 HB3 MET A 17 -8.324 3.286 5.787 1.00 0.00 H new ATOM 0 HG2 MET A 17 -8.690 1.696 3.537 1.00 0.00 H new ATOM 0 HG3 MET A 17 -10.146 2.671 3.565 1.00 0.00 H new ATOM 0 HE1 MET A 17 -8.756 5.248 1.259 1.00 0.00 H new ATOM 0 HE2 MET A 17 -9.234 3.539 1.131 1.00 0.00 H new ATOM 0 HE3 MET A 17 -10.204 4.664 2.111 1.00 0.00 H new ATOM 263 N LEU A 18 -8.286 0.302 8.173 1.00 0.00 N ATOM 264 CA LEU A 18 -8.059 0.290 9.612 1.00 0.00 C ATOM 265 C LEU A 18 -7.394 -1.008 10.052 1.00 0.00 C ATOM 266 O LEU A 18 -7.861 -1.689 10.965 1.00 0.00 O ATOM 267 CB LEU A 18 -9.376 0.513 10.363 1.00 0.00 C ATOM 268 CG LEU A 18 -10.331 -0.686 10.414 1.00 0.00 C ATOM 269 CD1 LEU A 18 -11.711 -0.245 10.871 1.00 0.00 C ATOM 270 CD2 LEU A 18 -10.414 -1.370 9.057 1.00 0.00 C ATOM 0 H LEU A 18 -8.117 -0.594 7.716 1.00 0.00 H new ATOM 0 HA LEU A 18 -7.381 1.108 9.857 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -9.143 0.810 11.385 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -9.899 1.349 9.899 1.00 0.00 H new ATOM 0 HG LEU A 18 -9.938 -1.404 11.134 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -12.377 -1.107 10.902 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -11.641 0.196 11.866 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -12.106 0.494 10.174 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -11.097 -2.217 9.118 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -10.780 -0.661 8.314 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -9.424 -1.722 8.766 1.00 0.00 H new ATOM 282 N GLY A 19 -6.294 -1.335 9.396 1.00 0.00 N ATOM 283 CA GLY A 19 -5.562 -2.544 9.724 1.00 0.00 C ATOM 284 C GLY A 19 -4.064 -2.315 9.793 1.00 0.00 C ATOM 285 O GLY A 19 -3.563 -1.728 10.752 1.00 0.00 O ATOM 0 H GLY A 19 -5.891 -0.784 8.638 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -5.912 -2.928 10.682 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -5.776 -3.308 8.977 1.00 0.00 H new ATOM 289 N ASP A 20 -3.351 -2.778 8.773 1.00 0.00 N ATOM 290 CA ASP A 20 -1.905 -2.623 8.712 1.00 0.00 C ATOM 291 C ASP A 20 -1.511 -1.153 8.662 1.00 0.00 C ATOM 292 O ASP A 20 -2.363 -0.267 8.680 1.00 0.00 O ATOM 293 CB ASP A 20 -1.353 -3.352 7.486 1.00 0.00 C ATOM 294 CG ASP A 20 -1.969 -4.724 7.294 1.00 0.00 C ATOM 295 OD1 ASP A 20 -1.807 -5.578 8.190 1.00 0.00 O ATOM 296 OD2 ASP A 20 -2.616 -4.944 6.248 1.00 0.00 O ATOM 0 H ASP A 20 -3.755 -3.266 7.974 1.00 0.00 H new ATOM 0 HA ASP A 20 -1.479 -3.059 9.616 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -1.536 -2.749 6.597 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -0.272 -3.454 7.585 1.00 0.00 H new ATOM 301 N LEU A 21 -0.211 -0.910 8.597 1.00 0.00 N ATOM 302 CA LEU A 21 0.318 0.448 8.538 1.00 0.00 C ATOM 303 C LEU A 21 1.570 0.492 7.669 1.00 0.00 C ATOM 304 O LEU A 21 2.688 0.363 8.165 1.00 0.00 O ATOM 305 CB LEU A 21 0.634 0.965 9.946 1.00 0.00 C ATOM 306 CG LEU A 21 1.509 2.220 10.004 1.00 0.00 C ATOM 307 CD1 LEU A 21 0.999 3.277 9.034 1.00 0.00 C ATOM 308 CD2 LEU A 21 1.555 2.774 11.420 1.00 0.00 C ATOM 0 H LEU A 21 0.502 -1.639 8.584 1.00 0.00 H new ATOM 0 HA LEU A 21 -0.441 1.093 8.094 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -0.306 1.174 10.457 1.00 0.00 H new ATOM 0 HB3 LEU A 21 1.130 0.171 10.503 1.00 0.00 H new ATOM 0 HG LEU A 21 2.521 1.944 9.708 1.00 0.00 H new ATOM 0 HD11 LEU A 21 1.635 4.160 9.091 1.00 0.00 H new ATOM 0 HD12 LEU A 21 1.020 2.880 8.019 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -0.024 3.548 9.296 1.00 0.00 H new ATOM 0 HD21 LEU A 21 2.182 3.666 11.442 1.00 0.00 H new ATOM 0 HD22 LEU A 21 0.546 3.031 11.743 1.00 0.00 H new ATOM 0 HD23 LEU A 21 1.970 2.022 12.091 1.00 0.00 H new ATOM 320 N ILE A 22 1.371 0.670 6.369 1.00 0.00 N ATOM 321 CA ILE A 22 2.480 0.724 5.428 1.00 0.00 C ATOM 322 C ILE A 22 2.900 2.162 5.155 1.00 0.00 C ATOM 323 O ILE A 22 2.083 3.083 5.199 1.00 0.00 O ATOM 324 CB ILE A 22 2.120 0.024 4.097 1.00 0.00 C ATOM 325 CG1 ILE A 22 3.145 0.335 3.011 1.00 0.00 C ATOM 326 CG2 ILE A 22 0.722 0.405 3.646 1.00 0.00 C ATOM 327 CD1 ILE A 22 2.825 1.557 2.181 1.00 0.00 C ATOM 0 H ILE A 22 0.451 0.779 5.943 1.00 0.00 H new ATOM 0 HA ILE A 22 3.316 0.195 5.886 1.00 0.00 H new ATOM 0 HB ILE A 22 2.139 -1.052 4.273 1.00 0.00 H new ATOM 0 HG12 ILE A 22 4.120 0.473 3.478 1.00 0.00 H new ATOM 0 HG13 ILE A 22 3.228 -0.527 2.349 1.00 0.00 H new ATOM 0 HG21 ILE A 22 0.492 -0.100 2.708 1.00 0.00 H new ATOM 0 HG22 ILE A 22 0.000 0.105 4.406 1.00 0.00 H new ATOM 0 HG23 ILE A 22 0.668 1.484 3.500 1.00 0.00 H new ATOM 0 HD11 ILE A 22 3.605 1.704 1.434 1.00 0.00 H new ATOM 0 HD12 ILE A 22 1.866 1.417 1.682 1.00 0.00 H new ATOM 0 HD13 ILE A 22 2.773 2.433 2.828 1.00 0.00 H new ATOM 339 N CYS A 23 4.181 2.341 4.861 1.00 0.00 N ATOM 340 CA CYS A 23 4.722 3.657 4.565 1.00 0.00 C ATOM 341 C CYS A 23 5.121 3.730 3.099 1.00 0.00 C ATOM 342 O CYS A 23 6.266 3.451 2.744 1.00 0.00 O ATOM 343 CB CYS A 23 5.927 3.942 5.462 1.00 0.00 C ATOM 344 SG CYS A 23 6.663 5.594 5.239 1.00 0.00 S ATOM 0 H CYS A 23 4.866 1.586 4.822 1.00 0.00 H new ATOM 0 HA CYS A 23 3.960 4.411 4.760 1.00 0.00 H new ATOM 0 HB2 CYS A 23 5.623 3.831 6.503 1.00 0.00 H new ATOM 0 HB3 CYS A 23 6.692 3.189 5.271 1.00 0.00 H new ATOM 349 N ALA A 24 4.164 4.082 2.248 1.00 0.00 N ATOM 350 CA ALA A 24 4.424 4.161 0.821 1.00 0.00 C ATOM 351 C ALA A 24 5.133 5.453 0.460 1.00 0.00 C ATOM 352 O ALA A 24 5.036 6.451 1.172 1.00 0.00 O ATOM 353 CB ALA A 24 3.133 4.024 0.031 1.00 0.00 C ATOM 0 H ALA A 24 3.209 4.315 2.521 1.00 0.00 H new ATOM 0 HA ALA A 24 5.082 3.333 0.558 1.00 0.00 H new ATOM 0 HB1 ALA A 24 3.351 4.086 -1.035 1.00 0.00 H new ATOM 0 HB2 ALA A 24 2.672 3.061 0.252 1.00 0.00 H new ATOM 0 HB3 ALA A 24 2.449 4.826 0.309 1.00 0.00 H new ATOM 359 N VAL A 25 5.858 5.416 -0.647 1.00 0.00 N ATOM 360 CA VAL A 25 6.604 6.573 -1.110 1.00 0.00 C ATOM 361 C VAL A 25 6.662 6.630 -2.633 1.00 0.00 C ATOM 362 O VAL A 25 6.772 5.592 -3.309 1.00 0.00 O ATOM 363 CB VAL A 25 8.044 6.566 -0.563 1.00 0.00 C ATOM 364 CG1 VAL A 25 8.655 7.957 -0.637 1.00 0.00 C ATOM 365 CG2 VAL A 25 8.079 6.036 0.864 1.00 0.00 C ATOM 0 H VAL A 25 5.945 4.593 -1.243 1.00 0.00 H new ATOM 0 HA VAL A 25 6.076 7.451 -0.737 1.00 0.00 H new ATOM 0 HB VAL A 25 8.640 5.899 -1.186 1.00 0.00 H new ATOM 0 HG11 VAL A 25 9.672 7.929 -0.246 1.00 0.00 H new ATOM 0 HG12 VAL A 25 8.674 8.291 -1.674 1.00 0.00 H new ATOM 0 HG13 VAL A 25 8.057 8.649 -0.044 1.00 0.00 H new ATOM 0 HG21 VAL A 25 9.106 6.041 1.229 1.00 0.00 H new ATOM 0 HG22 VAL A 25 7.464 6.670 1.503 1.00 0.00 H new ATOM 0 HG23 VAL A 25 7.692 5.017 0.883 1.00 0.00 H new ATOM 375 N ILE A 26 6.604 7.861 -3.152 1.00 0.00 N ATOM 376 CA ILE A 26 6.669 8.117 -4.590 1.00 0.00 C ATOM 377 C ILE A 26 7.937 8.888 -4.931 1.00 0.00 C ATOM 378 O ILE A 26 7.915 10.113 -5.055 1.00 0.00 O ATOM 379 CB ILE A 26 5.463 8.935 -5.111 1.00 0.00 C ATOM 380 CG1 ILE A 26 4.831 9.766 -3.985 1.00 0.00 C ATOM 381 CG2 ILE A 26 4.440 8.033 -5.789 1.00 0.00 C ATOM 382 CD1 ILE A 26 3.863 9.004 -3.103 1.00 0.00 C ATOM 0 H ILE A 26 6.511 8.705 -2.586 1.00 0.00 H new ATOM 0 HA ILE A 26 6.659 7.139 -5.071 1.00 0.00 H new ATOM 0 HB ILE A 26 5.829 9.633 -5.864 1.00 0.00 H new ATOM 0 HG12 ILE A 26 5.627 10.172 -3.361 1.00 0.00 H new ATOM 0 HG13 ILE A 26 4.308 10.614 -4.427 1.00 0.00 H new ATOM 0 HG21 ILE A 26 3.604 8.635 -6.145 1.00 0.00 H new ATOM 0 HG22 ILE A 26 4.906 7.524 -6.633 1.00 0.00 H new ATOM 0 HG23 ILE A 26 4.077 7.294 -5.075 1.00 0.00 H new ATOM 0 HD11 ILE A 26 3.467 9.671 -2.337 1.00 0.00 H new ATOM 0 HD12 ILE A 26 3.043 8.620 -3.710 1.00 0.00 H new ATOM 0 HD13 ILE A 26 4.382 8.172 -2.627 1.00 0.00 H new ATOM 394 N GLY A 27 9.036 8.166 -5.068 1.00 0.00 N ATOM 395 CA GLY A 27 10.310 8.784 -5.390 1.00 0.00 C ATOM 396 C GLY A 27 10.852 9.615 -4.247 1.00 0.00 C ATOM 397 O GLY A 27 11.962 9.383 -3.769 1.00 0.00 O ATOM 0 H GLY A 27 9.071 7.152 -4.961 1.00 0.00 H new ATOM 0 HA2 GLY A 27 11.032 8.009 -5.647 1.00 0.00 H new ATOM 0 HA3 GLY A 27 10.193 9.415 -6.271 1.00 0.00 H new ATOM 401 N ASP A 28 10.062 10.585 -3.810 1.00 0.00 N ATOM 402 CA ASP A 28 10.458 11.458 -2.716 1.00 0.00 C ATOM 403 C ASP A 28 9.246 11.949 -1.932 1.00 0.00 C ATOM 404 O ASP A 28 9.322 12.952 -1.224 1.00 0.00 O ATOM 405 CB ASP A 28 11.252 12.651 -3.248 1.00 0.00 C ATOM 406 CG ASP A 28 12.556 12.234 -3.898 1.00 0.00 C ATOM 407 OD1 ASP A 28 13.407 11.644 -3.198 1.00 0.00 O ATOM 408 OD2 ASP A 28 12.729 12.498 -5.106 1.00 0.00 O ATOM 0 H ASP A 28 9.141 10.787 -4.198 1.00 0.00 H new ATOM 0 HA ASP A 28 11.089 10.879 -2.041 1.00 0.00 H new ATOM 0 HB2 ASP A 28 10.645 13.194 -3.973 1.00 0.00 H new ATOM 0 HB3 ASP A 28 11.461 13.339 -2.429 1.00 0.00 H new ATOM 413 N ALA A 29 8.131 11.234 -2.049 1.00 0.00 N ATOM 414 CA ALA A 29 6.916 11.609 -1.331 1.00 0.00 C ATOM 415 C ALA A 29 6.364 10.416 -0.562 1.00 0.00 C ATOM 416 O ALA A 29 5.681 9.561 -1.126 1.00 0.00 O ATOM 417 CB ALA A 29 5.878 12.167 -2.293 1.00 0.00 C ATOM 0 H ALA A 29 8.043 10.399 -2.628 1.00 0.00 H new ATOM 0 HA ALA A 29 7.163 12.391 -0.612 1.00 0.00 H new ATOM 0 HB1 ALA A 29 4.980 12.441 -1.740 1.00 0.00 H new ATOM 0 HB2 ALA A 29 6.281 13.049 -2.791 1.00 0.00 H new ATOM 0 HB3 ALA A 29 5.629 11.411 -3.038 1.00 0.00 H new ATOM 423 N LYS A 30 6.685 10.355 0.727 1.00 0.00 N ATOM 424 CA LYS A 30 6.246 9.253 1.577 1.00 0.00 C ATOM 425 C LYS A 30 5.006 9.615 2.392 1.00 0.00 C ATOM 426 O LYS A 30 4.798 10.774 2.753 1.00 0.00 O ATOM 427 CB LYS A 30 7.379 8.829 2.517 1.00 0.00 C ATOM 428 CG LYS A 30 8.140 9.997 3.122 1.00 0.00 C ATOM 429 CD LYS A 30 9.096 9.537 4.213 1.00 0.00 C ATOM 430 CE LYS A 30 10.538 9.550 3.732 1.00 0.00 C ATOM 431 NZ LYS A 30 11.264 10.768 4.189 1.00 0.00 N ATOM 0 H LYS A 30 7.249 11.057 1.206 1.00 0.00 H new ATOM 0 HA LYS A 30 5.981 8.423 0.922 1.00 0.00 H new ATOM 0 HB2 LYS A 30 6.964 8.222 3.321 1.00 0.00 H new ATOM 0 HB3 LYS A 30 8.077 8.197 1.968 1.00 0.00 H new ATOM 0 HG2 LYS A 30 8.699 10.512 2.341 1.00 0.00 H new ATOM 0 HG3 LYS A 30 7.434 10.717 3.536 1.00 0.00 H new ATOM 0 HD2 LYS A 30 8.996 10.186 5.083 1.00 0.00 H new ATOM 0 HD3 LYS A 30 8.827 8.530 4.533 1.00 0.00 H new ATOM 0 HE2 LYS A 30 11.052 8.662 4.100 1.00 0.00 H new ATOM 0 HE3 LYS A 30 10.558 9.502 2.643 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 12.244 10.739 3.841 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 10.789 11.615 3.817 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 11.267 10.801 5.228 1.00 0.00 H new ATOM 445 N GLU A 31 4.191 8.604 2.681 1.00 0.00 N ATOM 446 CA GLU A 31 2.967 8.789 3.459 1.00 0.00 C ATOM 447 C GLU A 31 2.519 7.463 4.075 1.00 0.00 C ATOM 448 O GLU A 31 2.706 6.402 3.480 1.00 0.00 O ATOM 449 CB GLU A 31 1.857 9.361 2.575 1.00 0.00 C ATOM 450 CG GLU A 31 0.546 9.583 3.311 1.00 0.00 C ATOM 451 CD GLU A 31 -0.581 8.724 2.770 1.00 0.00 C ATOM 452 OE1 GLU A 31 -0.583 8.447 1.552 1.00 0.00 O ATOM 453 OE2 GLU A 31 -1.460 8.329 3.563 1.00 0.00 O ATOM 0 H GLU A 31 4.357 7.642 2.386 1.00 0.00 H new ATOM 0 HA GLU A 31 3.173 9.494 4.264 1.00 0.00 H new ATOM 0 HB2 GLU A 31 2.192 10.309 2.153 1.00 0.00 H new ATOM 0 HB3 GLU A 31 1.684 8.683 1.739 1.00 0.00 H new ATOM 0 HG2 GLU A 31 0.687 9.366 4.370 1.00 0.00 H new ATOM 0 HG3 GLU A 31 0.265 10.633 3.236 1.00 0.00 H new ATOM 460 N GLU A 32 1.930 7.524 5.270 1.00 0.00 N ATOM 461 CA GLU A 32 1.467 6.317 5.950 1.00 0.00 C ATOM 462 C GLU A 32 0.016 6.015 5.626 1.00 0.00 C ATOM 463 O GLU A 32 -0.821 6.915 5.550 1.00 0.00 O ATOM 464 CB GLU A 32 1.603 6.449 7.464 1.00 0.00 C ATOM 465 CG GLU A 32 2.874 7.146 7.913 1.00 0.00 C ATOM 466 CD GLU A 32 2.844 7.523 9.382 1.00 0.00 C ATOM 467 OE1 GLU A 32 2.207 8.543 9.718 1.00 0.00 O ATOM 468 OE2 GLU A 32 3.460 6.800 10.192 1.00 0.00 O ATOM 0 H GLU A 32 1.764 8.390 5.783 1.00 0.00 H new ATOM 0 HA GLU A 32 2.096 5.502 5.592 1.00 0.00 H new ATOM 0 HB2 GLU A 32 0.744 6.999 7.849 1.00 0.00 H new ATOM 0 HB3 GLU A 32 1.570 5.455 7.909 1.00 0.00 H new ATOM 0 HG2 GLU A 32 3.727 6.494 7.726 1.00 0.00 H new ATOM 0 HG3 GLU A 32 3.022 8.044 7.314 1.00 0.00 H new ATOM 475 N HIS A 33 -0.273 4.737 5.458 1.00 0.00 N ATOM 476 CA HIS A 33 -1.629 4.292 5.167 1.00 0.00 C ATOM 477 C HIS A 33 -1.791 2.814 5.502 1.00 0.00 C ATOM 478 O HIS A 33 -0.840 2.036 5.415 1.00 0.00 O ATOM 479 CB HIS A 33 -1.961 4.535 3.701 1.00 0.00 C ATOM 480 CG HIS A 33 -1.102 3.736 2.788 1.00 0.00 C ATOM 481 ND1 HIS A 33 -1.475 2.511 2.290 1.00 0.00 N ATOM 482 CD2 HIS A 33 0.138 3.978 2.313 1.00 0.00 C ATOM 483 CE1 HIS A 33 -0.500 2.030 1.548 1.00 0.00 C ATOM 484 NE2 HIS A 33 0.492 2.901 1.545 1.00 0.00 N ATOM 0 H HIS A 33 0.414 3.985 5.518 1.00 0.00 H new ATOM 0 HA HIS A 33 -2.319 4.866 5.785 1.00 0.00 H new ATOM 0 HB2 HIS A 33 -3.007 4.287 3.522 1.00 0.00 H new ATOM 0 HB3 HIS A 33 -1.841 5.594 3.474 1.00 0.00 H new ATOM 0 HD1 HIS A 33 -2.366 2.048 2.467 1.00 0.00 H new ATOM 0 HD2 HIS A 33 0.738 4.856 2.503 1.00 0.00 H new ATOM 0 HE1 HIS A 33 -0.510 1.083 1.029 1.00 0.00 H new ATOM 493 N ARG A 34 -2.996 2.442 5.901 1.00 0.00 N ATOM 494 CA ARG A 34 -3.290 1.061 6.274 1.00 0.00 C ATOM 495 C ARG A 34 -3.740 0.213 5.081 1.00 0.00 C ATOM 496 O ARG A 34 -3.672 -1.016 5.132 1.00 0.00 O ATOM 497 CB ARG A 34 -4.367 1.034 7.361 1.00 0.00 C ATOM 498 CG ARG A 34 -4.176 2.097 8.433 1.00 0.00 C ATOM 499 CD ARG A 34 -4.630 1.607 9.800 1.00 0.00 C ATOM 500 NE ARG A 34 -3.510 1.446 10.723 1.00 0.00 N ATOM 501 CZ ARG A 34 -2.959 2.449 11.405 1.00 0.00 C ATOM 502 NH1 ARG A 34 -3.419 3.686 11.270 1.00 0.00 N ATOM 503 NH2 ARG A 34 -1.944 2.213 12.226 1.00 0.00 N ATOM 0 H ARG A 34 -3.791 3.076 5.976 1.00 0.00 H new ATOM 0 HA ARG A 34 -2.364 0.626 6.651 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -5.344 1.169 6.897 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -4.372 0.051 7.832 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -3.125 2.382 8.479 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -4.737 2.991 8.162 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -5.346 2.314 10.219 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -5.149 0.655 9.690 1.00 0.00 H new ATOM 0 HE ARG A 34 -3.127 0.510 10.853 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -4.200 3.874 10.641 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -2.992 4.449 11.795 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -1.586 1.264 12.335 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -1.522 2.980 12.748 1.00 0.00 H new ATOM 517 N ASN A 35 -4.211 0.855 4.013 1.00 0.00 N ATOM 518 CA ASN A 35 -4.676 0.122 2.835 1.00 0.00 C ATOM 519 C ASN A 35 -3.544 -0.130 1.840 1.00 0.00 C ATOM 520 O ASN A 35 -3.495 0.473 0.766 1.00 0.00 O ATOM 521 CB ASN A 35 -5.820 0.869 2.148 1.00 0.00 C ATOM 522 CG ASN A 35 -7.163 0.191 2.353 1.00 0.00 C ATOM 523 OD1 ASN A 35 -7.950 0.054 1.417 1.00 0.00 O ATOM 524 ND2 ASN A 35 -7.434 -0.238 3.583 1.00 0.00 N ATOM 0 H ASN A 35 -4.281 1.870 3.938 1.00 0.00 H new ATOM 0 HA ASN A 35 -5.040 -0.845 3.181 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -5.868 1.887 2.534 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -5.613 0.942 1.080 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -8.322 -0.700 3.778 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -6.754 -0.105 4.331 1.00 0.00 H new ATOM 531 N MET A 36 -2.648 -1.038 2.200 1.00 0.00 N ATOM 532 CA MET A 36 -1.526 -1.391 1.345 1.00 0.00 C ATOM 533 C MET A 36 -2.016 -1.988 0.028 1.00 0.00 C ATOM 534 O MET A 36 -1.285 -2.003 -0.963 1.00 0.00 O ATOM 535 CB MET A 36 -0.612 -2.379 2.079 1.00 0.00 C ATOM 536 CG MET A 36 0.189 -3.297 1.167 1.00 0.00 C ATOM 537 SD MET A 36 1.232 -4.445 2.086 1.00 0.00 S ATOM 538 CE MET A 36 0.006 -5.310 3.065 1.00 0.00 C ATOM 0 H MET A 36 -2.678 -1.546 3.084 1.00 0.00 H new ATOM 0 HA MET A 36 -0.961 -0.488 1.113 1.00 0.00 H new ATOM 0 HB2 MET A 36 0.080 -1.817 2.706 1.00 0.00 H new ATOM 0 HB3 MET A 36 -1.220 -2.991 2.745 1.00 0.00 H new ATOM 0 HG2 MET A 36 -0.495 -3.861 0.533 1.00 0.00 H new ATOM 0 HG3 MET A 36 0.812 -2.694 0.507 1.00 0.00 H new ATOM 0 HE1 MET A 36 0.441 -6.226 3.466 1.00 0.00 H new ATOM 0 HE2 MET A 36 -0.319 -4.672 3.887 1.00 0.00 H new ATOM 0 HE3 MET A 36 -0.850 -5.559 2.438 1.00 0.00 H new ATOM 548 N CYS A 37 -3.255 -2.471 0.013 1.00 0.00 N ATOM 549 CA CYS A 37 -3.809 -3.051 -1.200 1.00 0.00 C ATOM 550 C CYS A 37 -4.409 -1.959 -2.074 1.00 0.00 C ATOM 551 O CYS A 37 -4.322 -2.015 -3.301 1.00 0.00 O ATOM 552 CB CYS A 37 -4.838 -4.141 -0.881 1.00 0.00 C ATOM 553 SG CYS A 37 -6.374 -3.566 -0.085 1.00 0.00 S ATOM 0 H CYS A 37 -3.884 -2.472 0.816 1.00 0.00 H new ATOM 0 HA CYS A 37 -3.000 -3.529 -1.753 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -5.099 -4.651 -1.808 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -4.368 -4.880 -0.232 1.00 0.00 H new ATOM 558 N ALA A 38 -4.981 -0.946 -1.434 1.00 0.00 N ATOM 559 CA ALA A 38 -5.555 0.179 -2.159 1.00 0.00 C ATOM 560 C ALA A 38 -4.456 1.079 -2.698 1.00 0.00 C ATOM 561 O ALA A 38 -4.707 1.964 -3.517 1.00 0.00 O ATOM 562 CB ALA A 38 -6.507 0.963 -1.268 1.00 0.00 C ATOM 0 H ALA A 38 -5.059 -0.881 -0.419 1.00 0.00 H new ATOM 0 HA ALA A 38 -6.125 -0.209 -3.003 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -6.925 1.799 -1.829 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -7.314 0.310 -0.935 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -5.965 1.342 -0.401 1.00 0.00 H new ATOM 568 N LEU A 39 -3.232 0.839 -2.244 1.00 0.00 N ATOM 569 CA LEU A 39 -2.094 1.617 -2.689 1.00 0.00 C ATOM 570 C LEU A 39 -1.481 0.997 -3.930 1.00 0.00 C ATOM 571 O LEU A 39 -1.257 1.673 -4.927 1.00 0.00 O ATOM 572 CB LEU A 39 -1.057 1.727 -1.572 1.00 0.00 C ATOM 573 CG LEU A 39 -0.722 3.165 -1.176 1.00 0.00 C ATOM 574 CD1 LEU A 39 0.056 3.849 -2.274 1.00 0.00 C ATOM 575 CD2 LEU A 39 -1.988 3.942 -0.849 1.00 0.00 C ATOM 0 H LEU A 39 -3.007 0.110 -1.567 1.00 0.00 H new ATOM 0 HA LEU A 39 -2.435 2.621 -2.942 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -1.425 1.195 -0.694 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -0.142 1.225 -1.888 1.00 0.00 H new ATOM 0 HG LEU A 39 -0.100 3.138 -0.281 1.00 0.00 H new ATOM 0 HD11 LEU A 39 0.286 4.872 -1.975 1.00 0.00 H new ATOM 0 HD12 LEU A 39 0.984 3.307 -2.454 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -0.539 3.863 -3.187 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -1.727 4.963 -0.570 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -2.640 3.960 -1.723 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -2.506 3.461 -0.020 1.00 0.00 H new ATOM 587 N CYS A 40 -1.231 -0.296 -3.871 1.00 0.00 N ATOM 588 CA CYS A 40 -0.657 -0.999 -5.006 1.00 0.00 C ATOM 589 C CYS A 40 -1.582 -0.913 -6.210 1.00 0.00 C ATOM 590 O CYS A 40 -1.135 -0.975 -7.355 1.00 0.00 O ATOM 591 CB CYS A 40 -0.402 -2.461 -4.657 1.00 0.00 C ATOM 592 SG CYS A 40 0.699 -3.328 -5.824 1.00 0.00 S ATOM 0 H CYS A 40 -1.414 -0.880 -3.055 1.00 0.00 H new ATOM 0 HA CYS A 40 0.292 -0.524 -5.254 1.00 0.00 H new ATOM 0 HB2 CYS A 40 0.032 -2.514 -3.658 1.00 0.00 H new ATOM 0 HB3 CYS A 40 -1.357 -2.985 -4.618 1.00 0.00 H new ATOM 597 N CYS A 41 -2.879 -0.772 -5.947 1.00 0.00 N ATOM 598 CA CYS A 41 -3.856 -0.681 -7.020 1.00 0.00 C ATOM 599 C CYS A 41 -4.027 0.761 -7.478 1.00 0.00 C ATOM 600 O CYS A 41 -4.234 1.035 -8.661 1.00 0.00 O ATOM 601 CB CYS A 41 -5.198 -1.243 -6.552 1.00 0.00 C ATOM 602 SG CYS A 41 -6.603 -0.078 -6.597 1.00 0.00 S ATOM 0 H CYS A 41 -3.272 -0.719 -5.007 1.00 0.00 H new ATOM 0 HA CYS A 41 -3.494 -1.268 -7.864 1.00 0.00 H new ATOM 0 HB2 CYS A 41 -5.445 -2.106 -7.170 1.00 0.00 H new ATOM 0 HB3 CYS A 41 -5.083 -1.605 -5.531 1.00 0.00 H new ATOM 607 N GLU A 42 -3.983 1.670 -6.516 1.00 0.00 N ATOM 608 CA GLU A 42 -4.178 3.094 -6.796 1.00 0.00 C ATOM 609 C GLU A 42 -2.867 3.876 -6.913 1.00 0.00 C ATOM 610 O GLU A 42 -2.877 5.106 -6.867 1.00 0.00 O ATOM 611 CB GLU A 42 -5.052 3.721 -5.710 1.00 0.00 C ATOM 612 CG GLU A 42 -5.838 4.931 -6.188 1.00 0.00 C ATOM 613 CD GLU A 42 -7.021 5.249 -5.295 1.00 0.00 C ATOM 614 OE1 GLU A 42 -7.822 4.330 -5.021 1.00 0.00 O ATOM 615 OE2 GLU A 42 -7.147 6.416 -4.869 1.00 0.00 O ATOM 0 H GLU A 42 -3.814 1.453 -5.534 1.00 0.00 H new ATOM 0 HA GLU A 42 -4.669 3.155 -7.767 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -5.748 2.970 -5.336 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -4.421 4.016 -4.872 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -5.176 5.796 -6.229 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -6.192 4.752 -7.203 1.00 0.00 H new ATOM 622 N HIS A 43 -1.746 3.182 -7.071 1.00 0.00 N ATOM 623 CA HIS A 43 -0.458 3.861 -7.198 1.00 0.00 C ATOM 624 C HIS A 43 0.404 3.240 -8.295 1.00 0.00 C ATOM 625 O HIS A 43 0.019 2.248 -8.914 1.00 0.00 O ATOM 626 CB HIS A 43 0.268 3.887 -5.853 1.00 0.00 C ATOM 627 CG HIS A 43 -0.062 5.113 -5.058 1.00 0.00 C ATOM 628 ND1 HIS A 43 0.808 6.170 -4.901 1.00 0.00 N ATOM 629 CD2 HIS A 43 -1.192 5.457 -4.393 1.00 0.00 C ATOM 630 CE1 HIS A 43 0.231 7.109 -4.173 1.00 0.00 C ATOM 631 NE2 HIS A 43 -0.982 6.702 -3.853 1.00 0.00 N ATOM 0 H HIS A 43 -1.700 2.164 -7.114 1.00 0.00 H new ATOM 0 HA HIS A 43 -0.649 4.891 -7.498 1.00 0.00 H new ATOM 0 HB2 HIS A 43 -0.001 3.000 -5.279 1.00 0.00 H new ATOM 0 HB3 HIS A 43 1.344 3.843 -6.021 1.00 0.00 H new ATOM 0 HD1 HIS A 43 1.751 6.220 -5.287 1.00 0.00 H new ATOM 0 HD2 HIS A 43 -2.090 4.863 -4.304 1.00 0.00 H new ATOM 0 HE1 HIS A 43 0.677 8.050 -3.888 1.00 0.00 H new ATOM 640 N PRO A 44 1.572 3.844 -8.571 1.00 0.00 N ATOM 641 CA PRO A 44 2.483 3.379 -9.627 1.00 0.00 C ATOM 642 C PRO A 44 2.865 1.907 -9.499 1.00 0.00 C ATOM 643 O PRO A 44 3.903 1.573 -8.928 1.00 0.00 O ATOM 644 CB PRO A 44 3.712 4.275 -9.455 1.00 0.00 C ATOM 645 CG PRO A 44 3.191 5.509 -8.804 1.00 0.00 C ATOM 646 CD PRO A 44 2.086 5.052 -7.894 1.00 0.00 C ATOM 0 HA PRO A 44 2.017 3.447 -10.610 1.00 0.00 H new ATOM 0 HB2 PRO A 44 4.471 3.792 -8.839 1.00 0.00 H new ATOM 0 HB3 PRO A 44 4.176 4.499 -10.415 1.00 0.00 H new ATOM 0 HG2 PRO A 44 3.975 6.017 -8.243 1.00 0.00 H new ATOM 0 HG3 PRO A 44 2.820 6.216 -9.546 1.00 0.00 H new ATOM 0 HD2 PRO A 44 2.455 4.827 -6.893 1.00 0.00 H new ATOM 0 HD3 PRO A 44 1.313 5.813 -7.785 1.00 0.00 H new ATOM 654 N GLY A 45 2.023 1.036 -10.057 1.00 0.00 N ATOM 655 CA GLY A 45 2.277 -0.400 -10.025 1.00 0.00 C ATOM 656 C GLY A 45 2.877 -0.877 -8.716 1.00 0.00 C ATOM 657 O GLY A 45 3.669 -1.819 -8.696 1.00 0.00 O ATOM 0 H GLY A 45 1.162 1.302 -10.535 1.00 0.00 H new ATOM 0 HA2 GLY A 45 1.342 -0.931 -10.202 1.00 0.00 H new ATOM 0 HA3 GLY A 45 2.951 -0.660 -10.841 1.00 0.00 H new ATOM 661 N GLY A 46 2.499 -0.228 -7.623 1.00 0.00 N ATOM 662 CA GLY A 46 3.017 -0.609 -6.325 1.00 0.00 C ATOM 663 C GLY A 46 4.406 -0.058 -6.067 1.00 0.00 C ATOM 664 O GLY A 46 5.257 -0.756 -5.521 1.00 0.00 O ATOM 0 H GLY A 46 1.844 0.554 -7.612 1.00 0.00 H new ATOM 0 HA2 GLY A 46 2.339 -0.254 -5.549 1.00 0.00 H new ATOM 0 HA3 GLY A 46 3.042 -1.696 -6.253 1.00 0.00 H new ATOM 668 N PHE A 47 4.622 1.201 -6.467 1.00 0.00 N ATOM 669 CA PHE A 47 5.906 1.893 -6.292 1.00 0.00 C ATOM 670 C PHE A 47 6.686 1.395 -5.066 1.00 0.00 C ATOM 671 O PHE A 47 7.183 0.272 -5.084 1.00 0.00 O ATOM 672 CB PHE A 47 5.696 3.409 -6.232 1.00 0.00 C ATOM 673 CG PHE A 47 4.642 3.881 -5.259 1.00 0.00 C ATOM 674 CD1 PHE A 47 3.603 3.061 -4.837 1.00 0.00 C ATOM 675 CD2 PHE A 47 4.697 5.170 -4.774 1.00 0.00 C ATOM 676 CE1 PHE A 47 2.651 3.527 -3.958 1.00 0.00 C ATOM 677 CE2 PHE A 47 3.751 5.638 -3.892 1.00 0.00 C ATOM 678 CZ PHE A 47 2.727 4.819 -3.485 1.00 0.00 C ATOM 0 H PHE A 47 3.909 1.771 -6.923 1.00 0.00 H new ATOM 0 HA PHE A 47 6.517 1.657 -7.163 1.00 0.00 H new ATOM 0 HB2 PHE A 47 6.644 3.880 -5.971 1.00 0.00 H new ATOM 0 HB3 PHE A 47 5.430 3.761 -7.229 1.00 0.00 H new ATOM 0 HD1 PHE A 47 3.541 2.047 -5.202 1.00 0.00 H new ATOM 0 HD2 PHE A 47 5.496 5.823 -5.092 1.00 0.00 H new ATOM 0 HE1 PHE A 47 1.846 2.881 -3.640 1.00 0.00 H new ATOM 0 HE2 PHE A 47 3.814 6.650 -3.520 1.00 0.00 H new ATOM 0 HZ PHE A 47 1.982 5.187 -2.795 1.00 0.00 H new ATOM 688 N GLU A 48 6.830 2.208 -4.007 1.00 0.00 N ATOM 689 CA GLU A 48 7.588 1.742 -2.843 1.00 0.00 C ATOM 690 C GLU A 48 6.821 1.917 -1.534 1.00 0.00 C ATOM 691 O GLU A 48 5.996 2.818 -1.390 1.00 0.00 O ATOM 692 CB GLU A 48 8.940 2.455 -2.762 1.00 0.00 C ATOM 693 CG GLU A 48 8.844 3.965 -2.861 1.00 0.00 C ATOM 694 CD GLU A 48 10.181 4.648 -2.649 1.00 0.00 C ATOM 695 OE1 GLU A 48 10.644 4.700 -1.491 1.00 0.00 O ATOM 696 OE2 GLU A 48 10.763 5.132 -3.642 1.00 0.00 O ATOM 0 H GLU A 48 6.448 3.151 -3.934 1.00 0.00 H new ATOM 0 HA GLU A 48 7.750 0.673 -2.981 1.00 0.00 H new ATOM 0 HB2 GLU A 48 9.423 2.192 -1.821 1.00 0.00 H new ATOM 0 HB3 GLU A 48 9.582 2.088 -3.563 1.00 0.00 H new ATOM 0 HG2 GLU A 48 8.452 4.237 -3.841 1.00 0.00 H new ATOM 0 HG3 GLU A 48 8.132 4.330 -2.121 1.00 0.00 H new ATOM 703 N TYR A 49 7.122 1.033 -0.581 1.00 0.00 N ATOM 704 CA TYR A 49 6.498 1.047 0.739 1.00 0.00 C ATOM 705 C TYR A 49 7.455 0.556 1.797 1.00 0.00 C ATOM 706 O TYR A 49 8.528 0.025 1.508 1.00 0.00 O ATOM 707 CB TYR A 49 5.241 0.184 0.788 1.00 0.00 C ATOM 708 CG TYR A 49 5.480 -1.295 0.609 1.00 0.00 C ATOM 709 CD1 TYR A 49 6.199 -1.791 -0.467 1.00 0.00 C ATOM 710 CD2 TYR A 49 4.971 -2.197 1.531 1.00 0.00 C ATOM 711 CE1 TYR A 49 6.408 -3.147 -0.615 1.00 0.00 C ATOM 712 CE2 TYR A 49 5.175 -3.551 1.392 1.00 0.00 C ATOM 713 CZ TYR A 49 5.894 -4.026 0.319 1.00 0.00 C ATOM 714 OH TYR A 49 6.103 -5.378 0.178 1.00 0.00 O ATOM 0 H TYR A 49 7.807 0.287 -0.705 1.00 0.00 H new ATOM 0 HA TYR A 49 6.224 2.084 0.935 1.00 0.00 H new ATOM 0 HB2 TYR A 49 4.745 0.344 1.745 1.00 0.00 H new ATOM 0 HB3 TYR A 49 4.554 0.523 0.012 1.00 0.00 H new ATOM 0 HD1 TYR A 49 6.601 -1.107 -1.200 1.00 0.00 H new ATOM 0 HD2 TYR A 49 4.404 -1.830 2.374 1.00 0.00 H new ATOM 0 HE1 TYR A 49 6.971 -3.520 -1.458 1.00 0.00 H new ATOM 0 HE2 TYR A 49 4.773 -4.238 2.122 1.00 0.00 H new ATOM 0 HH TYR A 49 5.641 -5.698 -0.625 1.00 0.00 H new ATOM 724 N SER A 50 7.027 0.728 3.024 1.00 0.00 N ATOM 725 CA SER A 50 7.789 0.304 4.177 1.00 0.00 C ATOM 726 C SER A 50 6.835 -0.009 5.306 1.00 0.00 C ATOM 727 O SER A 50 6.611 0.808 6.199 1.00 0.00 O ATOM 728 CB SER A 50 8.768 1.382 4.608 1.00 0.00 C ATOM 729 OG SER A 50 9.202 2.155 3.503 1.00 0.00 O ATOM 0 H SER A 50 6.136 1.168 3.254 1.00 0.00 H new ATOM 0 HA SER A 50 8.363 -0.585 3.916 1.00 0.00 H new ATOM 0 HB2 SER A 50 8.296 2.031 5.346 1.00 0.00 H new ATOM 0 HB3 SER A 50 9.629 0.922 5.093 1.00 0.00 H new ATOM 0 HG SER A 50 9.830 2.842 3.811 1.00 0.00 H new ATOM 735 N ASN A 51 6.251 -1.190 5.238 1.00 0.00 N ATOM 736 CA ASN A 51 5.285 -1.619 6.234 1.00 0.00 C ATOM 737 C ASN A 51 5.796 -1.361 7.639 1.00 0.00 C ATOM 738 O ASN A 51 6.969 -1.571 7.949 1.00 0.00 O ATOM 739 CB ASN A 51 4.923 -3.086 6.066 1.00 0.00 C ATOM 740 CG ASN A 51 3.744 -3.291 5.136 1.00 0.00 C ATOM 741 OD1 ASN A 51 3.891 -3.276 3.916 1.00 0.00 O ATOM 742 ND2 ASN A 51 2.563 -3.486 5.713 1.00 0.00 N ATOM 0 H ASN A 51 6.429 -1.872 4.501 1.00 0.00 H new ATOM 0 HA ASN A 51 4.382 -1.028 6.081 1.00 0.00 H new ATOM 0 HB2 ASN A 51 5.786 -3.627 5.678 1.00 0.00 H new ATOM 0 HB3 ASN A 51 4.691 -3.513 7.041 1.00 0.00 H new ATOM 0 HD21 ASN A 51 1.733 -3.631 5.139 1.00 0.00 H new ATOM 0 HD22 ASN A 51 2.487 -3.491 6.730 1.00 0.00 H new ATOM 749 N GLY A 52 4.894 -0.889 8.465 1.00 0.00 N ATOM 750 CA GLY A 52 5.222 -0.570 9.842 1.00 0.00 C ATOM 751 C GLY A 52 5.525 0.906 10.026 1.00 0.00 C ATOM 752 O GLY A 52 5.043 1.737 9.256 1.00 0.00 O ATOM 0 H GLY A 52 3.922 -0.715 8.210 1.00 0.00 H new ATOM 0 HA2 GLY A 52 4.391 -0.853 10.488 1.00 0.00 H new ATOM 0 HA3 GLY A 52 6.084 -1.159 10.155 1.00 0.00 H new ATOM 756 N PRO A 53 6.328 1.269 11.040 1.00 0.00 N ATOM 757 CA PRO A 53 6.685 2.668 11.299 1.00 0.00 C ATOM 758 C PRO A 53 7.655 3.217 10.258 1.00 0.00 C ATOM 759 O PRO A 53 8.540 2.506 9.784 1.00 0.00 O ATOM 760 CB PRO A 53 7.347 2.614 12.677 1.00 0.00 C ATOM 761 CG PRO A 53 7.897 1.233 12.779 1.00 0.00 C ATOM 762 CD PRO A 53 6.953 0.349 12.011 1.00 0.00 C ATOM 0 HA PRO A 53 5.819 3.328 11.255 1.00 0.00 H new ATOM 0 HB2 PRO A 53 8.135 3.362 12.767 1.00 0.00 H new ATOM 0 HB3 PRO A 53 6.627 2.813 13.470 1.00 0.00 H new ATOM 0 HG2 PRO A 53 8.903 1.183 12.363 1.00 0.00 H new ATOM 0 HG3 PRO A 53 7.966 0.917 13.820 1.00 0.00 H new ATOM 0 HD2 PRO A 53 7.481 -0.463 11.511 1.00 0.00 H new ATOM 0 HD3 PRO A 53 6.211 -0.109 12.665 1.00 0.00 H new ATOM 770 N CYS A 54 7.479 4.486 9.904 1.00 0.00 N ATOM 771 CA CYS A 54 8.336 5.130 8.915 1.00 0.00 C ATOM 772 C CYS A 54 7.965 6.604 8.762 1.00 0.00 C ATOM 773 O CYS A 54 8.734 7.490 9.137 1.00 0.00 O ATOM 774 CB CYS A 54 8.222 4.397 7.569 1.00 0.00 C ATOM 775 SG CYS A 54 8.502 5.431 6.087 1.00 0.00 S ATOM 0 H CYS A 54 6.751 5.089 10.287 1.00 0.00 H new ATOM 0 HA CYS A 54 9.370 5.077 9.256 1.00 0.00 H new ATOM 0 HB2 CYS A 54 8.939 3.576 7.560 1.00 0.00 H new ATOM 0 HB3 CYS A 54 7.229 3.953 7.499 1.00 0.00 H new ATOM 780 N GLU A 55 6.784 6.857 8.209 1.00 0.00 N ATOM 781 CA GLU A 55 6.313 8.220 8.005 1.00 0.00 C ATOM 782 C GLU A 55 5.578 8.732 9.241 1.00 0.00 C ATOM 783 O GLU A 55 5.727 8.115 10.316 1.00 0.00 O ATOM 784 CB GLU A 55 5.398 8.289 6.781 1.00 0.00 C ATOM 785 CG GLU A 55 6.071 8.883 5.555 1.00 0.00 C ATOM 786 CD GLU A 55 6.367 10.360 5.718 1.00 0.00 C ATOM 787 OE1 GLU A 55 7.278 10.700 6.501 1.00 0.00 O ATOM 788 OE2 GLU A 55 5.690 11.177 5.060 1.00 0.00 O ATOM 789 OXT GLU A 55 4.859 9.747 9.122 1.00 0.00 O ATOM 0 H GLU A 55 6.136 6.135 7.894 1.00 0.00 H new ATOM 0 HA GLU A 55 7.181 8.857 7.833 1.00 0.00 H new ATOM 0 HB2 GLU A 55 5.047 7.285 6.543 1.00 0.00 H new ATOM 0 HB3 GLU A 55 4.519 8.884 7.027 1.00 0.00 H new ATOM 0 HG2 GLU A 55 7.000 8.348 5.359 1.00 0.00 H new ATOM 0 HG3 GLU A 55 5.430 8.737 4.685 1.00 0.00 H new TER 796 GLU A 55