USER MOD reduce.3.24.130724 H: found=0, std=0, add=272, rem=0, adj=6 USER MOD reduce.3.24.130724 removed 271 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 9 GLN : amide:sc= 0 X(o=0,f=-0.04) USER MOD Single : A 19 HIS : no HD1:sc= -9.63! C(o=-9.6!,f=-8.5!) USER MOD Single : A 25 HIS : no HD1:sc= -3.19! C(o=-3.2!,f=-1.9!) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 38 MET CE :methyl -149:sc= -0.203 (180deg=-0.698) USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 13 N VAL A 2 -4.279 -6.006 -5.004 1.00 0.00 N ATOM 14 CA VAL A 2 -5.149 -5.912 -3.797 1.00 0.00 C ATOM 15 C VAL A 2 -5.298 -4.451 -3.362 1.00 0.00 C ATOM 16 O VAL A 2 -5.010 -3.537 -4.109 1.00 0.00 O ATOM 17 CB VAL A 2 -4.433 -6.725 -2.717 1.00 0.00 C ATOM 18 CG1 VAL A 2 -4.646 -8.217 -2.976 1.00 0.00 C ATOM 19 CG2 VAL A 2 -2.934 -6.414 -2.746 1.00 0.00 C ATOM 0 HA VAL A 2 -6.153 -6.290 -3.987 1.00 0.00 H new ATOM 0 HB VAL A 2 -4.839 -6.462 -1.740 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -4.136 -8.796 -2.206 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -5.712 -8.442 -2.952 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -4.242 -8.478 -3.954 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -2.427 -6.995 -1.975 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -2.527 -6.674 -3.723 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -2.779 -5.351 -2.560 1.00 0.00 H new ATOM 29 N ARG A 3 -5.754 -4.227 -2.160 1.00 0.00 N ATOM 30 CA ARG A 3 -5.943 -2.835 -1.673 1.00 0.00 C ATOM 31 C ARG A 3 -5.670 -2.764 -0.166 1.00 0.00 C ATOM 32 O ARG A 3 -6.325 -3.409 0.627 1.00 0.00 O ATOM 33 CB ARG A 3 -7.416 -2.536 -1.978 1.00 0.00 C ATOM 34 CG ARG A 3 -7.980 -1.504 -0.990 1.00 0.00 C ATOM 35 CD ARG A 3 -7.068 -0.275 -0.932 1.00 0.00 C ATOM 36 NE ARG A 3 -7.487 0.451 0.301 1.00 0.00 N ATOM 37 CZ ARG A 3 -8.259 1.500 0.208 1.00 0.00 C ATOM 38 NH1 ARG A 3 -9.421 1.405 -0.376 1.00 0.00 N ATOM 39 NH2 ARG A 3 -7.868 2.644 0.701 1.00 0.00 N ATOM 0 H ARG A 3 -6.005 -4.955 -1.491 1.00 0.00 H new ATOM 0 HA ARG A 3 -5.268 -2.119 -2.143 1.00 0.00 H new ATOM 0 HB2 ARG A 3 -7.512 -2.161 -2.997 1.00 0.00 H new ATOM 0 HB3 ARG A 3 -7.998 -3.456 -1.921 1.00 0.00 H new ATOM 0 HG2 ARG A 3 -8.983 -1.207 -1.296 1.00 0.00 H new ATOM 0 HG3 ARG A 3 -8.067 -1.949 0.001 1.00 0.00 H new ATOM 0 HD2 ARG A 3 -6.018 -0.563 -0.884 1.00 0.00 H new ATOM 0 HD3 ARG A 3 -7.187 0.348 -1.818 1.00 0.00 H new ATOM 0 HE ARG A 3 -7.171 0.129 1.216 1.00 0.00 H new ATOM 0 HH11 ARG A 3 -9.727 0.511 -0.760 1.00 0.00 H new ATOM 0 HH12 ARG A 3 -10.024 2.225 -0.448 1.00 0.00 H new ATOM 0 HH21 ARG A 3 -6.960 2.718 1.159 1.00 0.00 H new ATOM 0 HH22 ARG A 3 -8.471 3.463 0.628 1.00 0.00 H new ATOM 53 N ILE A 4 -4.704 -1.980 0.226 1.00 0.00 N ATOM 54 CA ILE A 4 -4.380 -1.857 1.673 1.00 0.00 C ATOM 55 C ILE A 4 -4.965 -0.553 2.229 1.00 0.00 C ATOM 56 O ILE A 4 -5.142 0.413 1.514 1.00 0.00 O ATOM 57 CB ILE A 4 -2.853 -1.844 1.728 1.00 0.00 C ATOM 58 CG1 ILE A 4 -2.330 -3.272 1.559 1.00 0.00 C ATOM 59 CG2 ILE A 4 -2.393 -1.291 3.076 1.00 0.00 C ATOM 60 CD1 ILE A 4 -2.791 -4.131 2.737 1.00 0.00 C ATOM 0 H ILE A 4 -4.124 -1.418 -0.397 1.00 0.00 H new ATOM 0 HA ILE A 4 -4.797 -2.667 2.272 1.00 0.00 H new ATOM 0 HB ILE A 4 -2.465 -1.213 0.928 1.00 0.00 H new ATOM 0 HG12 ILE A 4 -2.695 -3.695 0.623 1.00 0.00 H new ATOM 0 HG13 ILE A 4 -1.241 -3.267 1.504 1.00 0.00 H new ATOM 0 HG21 ILE A 4 -1.304 -1.283 3.113 1.00 0.00 H new ATOM 0 HG22 ILE A 4 -2.768 -0.275 3.200 1.00 0.00 H new ATOM 0 HG23 ILE A 4 -2.779 -1.920 3.878 1.00 0.00 H new ATOM 0 HD11 ILE A 4 -2.417 -5.148 2.614 1.00 0.00 H new ATOM 0 HD12 ILE A 4 -2.405 -3.712 3.666 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -3.880 -4.147 2.772 1.00 0.00 H new ATOM 72 N GLY A 5 -5.282 -0.526 3.494 1.00 0.00 N ATOM 73 CA GLY A 5 -5.878 0.705 4.093 1.00 0.00 C ATOM 74 C GLY A 5 -4.838 1.828 4.179 1.00 0.00 C ATOM 75 O GLY A 5 -4.950 2.824 3.493 1.00 0.00 O ATOM 0 H GLY A 5 -5.154 -1.304 4.141 1.00 0.00 H new ATOM 0 HA2 GLY A 5 -6.726 1.034 3.492 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -6.261 0.481 5.089 1.00 0.00 H new ATOM 79 N PRO A 6 -3.864 1.640 5.033 1.00 0.00 N ATOM 80 CA PRO A 6 -2.805 2.668 5.219 1.00 0.00 C ATOM 81 C PRO A 6 -1.801 2.693 4.067 1.00 0.00 C ATOM 82 O PRO A 6 -0.708 3.197 4.212 1.00 0.00 O ATOM 83 CB PRO A 6 -2.118 2.250 6.508 1.00 0.00 C ATOM 84 CG PRO A 6 -2.381 0.781 6.642 1.00 0.00 C ATOM 85 CD PRO A 6 -3.659 0.475 5.897 1.00 0.00 C ATOM 0 HA PRO A 6 -3.225 3.673 5.251 1.00 0.00 H new ATOM 0 HB2 PRO A 6 -1.048 2.455 6.467 1.00 0.00 H new ATOM 0 HB3 PRO A 6 -2.516 2.800 7.361 1.00 0.00 H new ATOM 0 HG2 PRO A 6 -1.552 0.205 6.232 1.00 0.00 H new ATOM 0 HG3 PRO A 6 -2.474 0.503 7.692 1.00 0.00 H new ATOM 0 HD2 PRO A 6 -3.569 -0.442 5.314 1.00 0.00 H new ATOM 0 HD3 PRO A 6 -4.495 0.336 6.582 1.00 0.00 H new ATOM 93 N CYS A 7 -2.153 2.192 2.921 1.00 0.00 N ATOM 94 CA CYS A 7 -1.201 2.238 1.784 1.00 0.00 C ATOM 95 C CYS A 7 -1.512 3.487 0.968 1.00 0.00 C ATOM 96 O CYS A 7 -0.653 4.067 0.335 1.00 0.00 O ATOM 97 CB CYS A 7 -1.466 0.966 0.993 1.00 0.00 C ATOM 98 SG CYS A 7 -0.185 -0.251 1.378 1.00 0.00 S ATOM 0 H CYS A 7 -3.053 1.755 2.723 1.00 0.00 H new ATOM 0 HA CYS A 7 -0.153 2.287 2.081 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -2.450 0.567 1.241 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -1.470 1.182 -0.075 1.00 0.00 H new ATOM 103 N ASP A 8 -2.736 3.934 1.032 1.00 0.00 N ATOM 104 CA ASP A 8 -3.115 5.180 0.322 1.00 0.00 C ATOM 105 C ASP A 8 -2.804 6.350 1.255 1.00 0.00 C ATOM 106 O ASP A 8 -2.568 7.464 0.831 1.00 0.00 O ATOM 107 CB ASP A 8 -4.619 5.065 0.069 1.00 0.00 C ATOM 108 CG ASP A 8 -4.950 5.639 -1.310 1.00 0.00 C ATOM 109 OD1 ASP A 8 -4.132 5.493 -2.203 1.00 0.00 O ATOM 110 OD2 ASP A 8 -6.017 6.216 -1.450 1.00 0.00 O ATOM 0 H ASP A 8 -3.491 3.485 1.549 1.00 0.00 H new ATOM 0 HA ASP A 8 -2.582 5.332 -0.617 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -4.929 4.021 0.124 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -5.170 5.603 0.840 1.00 0.00 H new ATOM 115 N GLN A 9 -2.778 6.077 2.535 1.00 0.00 N ATOM 116 CA GLN A 9 -2.455 7.135 3.532 1.00 0.00 C ATOM 117 C GLN A 9 -0.935 7.235 3.673 1.00 0.00 C ATOM 118 O GLN A 9 -0.373 8.312 3.700 1.00 0.00 O ATOM 119 CB GLN A 9 -3.091 6.662 4.839 1.00 0.00 C ATOM 120 CG GLN A 9 -4.502 7.241 4.960 1.00 0.00 C ATOM 121 CD GLN A 9 -5.449 6.172 5.505 1.00 0.00 C ATOM 122 OE1 GLN A 9 -5.158 5.534 6.497 1.00 0.00 O ATOM 123 NE2 GLN A 9 -6.579 5.947 4.893 1.00 0.00 N ATOM 0 H GLN A 9 -2.969 5.157 2.933 1.00 0.00 H new ATOM 0 HA GLN A 9 -2.827 8.119 3.246 1.00 0.00 H new ATOM 0 HB2 GLN A 9 -3.130 5.573 4.863 1.00 0.00 H new ATOM 0 HB3 GLN A 9 -2.483 6.978 5.687 1.00 0.00 H new ATOM 0 HG2 GLN A 9 -4.495 8.107 5.622 1.00 0.00 H new ATOM 0 HG3 GLN A 9 -4.849 7.587 3.986 1.00 0.00 H new ATOM 0 HE21 GLN A 9 -6.823 6.483 4.060 1.00 0.00 H new ATOM 0 HE22 GLN A 9 -7.218 5.235 5.247 1.00 0.00 H new ATOM 132 N VAL A 10 -0.261 6.114 3.742 1.00 0.00 N ATOM 133 CA VAL A 10 1.227 6.154 3.859 1.00 0.00 C ATOM 134 C VAL A 10 1.849 6.132 2.456 1.00 0.00 C ATOM 135 O VAL A 10 3.036 5.934 2.289 1.00 0.00 O ATOM 136 CB VAL A 10 1.605 4.892 4.646 1.00 0.00 C ATOM 137 CG1 VAL A 10 1.736 3.697 3.694 1.00 0.00 C ATOM 138 CG2 VAL A 10 2.941 5.121 5.358 1.00 0.00 C ATOM 0 H VAL A 10 -0.673 5.181 3.723 1.00 0.00 H new ATOM 0 HA VAL A 10 1.586 7.054 4.359 1.00 0.00 H new ATOM 0 HB VAL A 10 0.826 4.681 5.378 1.00 0.00 H new ATOM 0 HG11 VAL A 10 2.004 2.807 4.263 1.00 0.00 H new ATOM 0 HG12 VAL A 10 0.786 3.531 3.186 1.00 0.00 H new ATOM 0 HG13 VAL A 10 2.511 3.903 2.956 1.00 0.00 H new ATOM 0 HG21 VAL A 10 3.213 4.226 5.918 1.00 0.00 H new ATOM 0 HG22 VAL A 10 3.714 5.336 4.620 1.00 0.00 H new ATOM 0 HG23 VAL A 10 2.848 5.964 6.043 1.00 0.00 H new ATOM 148 N CYS A 11 1.044 6.332 1.450 1.00 0.00 N ATOM 149 CA CYS A 11 1.558 6.325 0.050 1.00 0.00 C ATOM 150 C CYS A 11 2.535 7.485 -0.177 1.00 0.00 C ATOM 151 O CYS A 11 3.584 7.300 -0.761 1.00 0.00 O ATOM 152 CB CYS A 11 0.310 6.505 -0.818 1.00 0.00 C ATOM 153 SG CYS A 11 0.468 5.519 -2.328 1.00 0.00 S ATOM 0 H CYS A 11 0.042 6.502 1.538 1.00 0.00 H new ATOM 0 HA CYS A 11 2.102 5.410 -0.183 1.00 0.00 H new ATOM 0 HB2 CYS A 11 -0.577 6.199 -0.264 1.00 0.00 H new ATOM 0 HB3 CYS A 11 0.180 7.557 -1.071 1.00 0.00 H new ATOM 158 N PRO A 12 2.159 8.648 0.288 1.00 0.00 N ATOM 159 CA PRO A 12 3.020 9.842 0.119 1.00 0.00 C ATOM 160 C PRO A 12 4.175 9.825 1.126 1.00 0.00 C ATOM 161 O PRO A 12 4.936 10.767 1.225 1.00 0.00 O ATOM 162 CB PRO A 12 2.075 11.007 0.392 1.00 0.00 C ATOM 163 CG PRO A 12 0.992 10.446 1.261 1.00 0.00 C ATOM 164 CD PRO A 12 0.915 8.961 1.001 1.00 0.00 C ATOM 0 HA PRO A 12 3.484 9.897 -0.866 1.00 0.00 H new ATOM 0 HB2 PRO A 12 2.594 11.825 0.891 1.00 0.00 H new ATOM 0 HB3 PRO A 12 1.666 11.407 -0.536 1.00 0.00 H new ATOM 0 HG2 PRO A 12 1.207 10.639 2.312 1.00 0.00 H new ATOM 0 HG3 PRO A 12 0.038 10.923 1.038 1.00 0.00 H new ATOM 0 HD2 PRO A 12 0.839 8.399 1.932 1.00 0.00 H new ATOM 0 HD3 PRO A 12 0.040 8.708 0.403 1.00 0.00 H new ATOM 172 N ARG A 13 4.315 8.762 1.872 1.00 0.00 N ATOM 173 CA ARG A 13 5.425 8.693 2.866 1.00 0.00 C ATOM 174 C ARG A 13 6.703 8.179 2.196 1.00 0.00 C ATOM 175 O ARG A 13 6.735 7.925 1.009 1.00 0.00 O ATOM 176 CB ARG A 13 4.945 7.710 3.935 1.00 0.00 C ATOM 177 CG ARG A 13 3.878 8.380 4.802 1.00 0.00 C ATOM 178 CD ARG A 13 4.556 9.227 5.882 1.00 0.00 C ATOM 179 NE ARG A 13 3.996 8.728 7.168 1.00 0.00 N ATOM 180 CZ ARG A 13 2.883 9.225 7.632 1.00 0.00 C ATOM 181 NH1 ARG A 13 2.760 10.515 7.792 1.00 0.00 N ATOM 182 NH2 ARG A 13 1.891 8.433 7.937 1.00 0.00 N ATOM 0 H ARG A 13 3.711 7.941 1.836 1.00 0.00 H new ATOM 0 HA ARG A 13 5.659 9.669 3.290 1.00 0.00 H new ATOM 0 HB2 ARG A 13 4.537 6.815 3.465 1.00 0.00 H new ATOM 0 HB3 ARG A 13 5.784 7.391 4.554 1.00 0.00 H new ATOM 0 HG2 ARG A 13 3.233 9.006 4.185 1.00 0.00 H new ATOM 0 HG3 ARG A 13 3.242 7.625 5.263 1.00 0.00 H new ATOM 0 HD2 ARG A 13 5.640 9.112 5.852 1.00 0.00 H new ATOM 0 HD3 ARG A 13 4.344 10.287 5.744 1.00 0.00 H new ATOM 0 HE ARG A 13 4.483 7.997 7.687 1.00 0.00 H new ATOM 0 HH11 ARG A 13 3.535 11.135 7.554 1.00 0.00 H new ATOM 0 HH12 ARG A 13 1.889 10.903 8.155 1.00 0.00 H new ATOM 0 HH21 ARG A 13 1.986 7.425 7.812 1.00 0.00 H new ATOM 0 HH22 ARG A 13 1.021 8.822 8.300 1.00 0.00 H new ATOM 196 N ILE A 14 7.758 8.028 2.950 1.00 0.00 N ATOM 197 CA ILE A 14 9.036 7.538 2.356 1.00 0.00 C ATOM 198 C ILE A 14 8.817 6.225 1.600 1.00 0.00 C ATOM 199 O ILE A 14 7.701 5.826 1.330 1.00 0.00 O ATOM 200 CB ILE A 14 9.975 7.320 3.544 1.00 0.00 C ATOM 201 CG1 ILE A 14 9.308 6.397 4.569 1.00 0.00 C ATOM 202 CG2 ILE A 14 10.291 8.664 4.197 1.00 0.00 C ATOM 203 CD1 ILE A 14 10.192 6.297 5.815 1.00 0.00 C ATOM 0 H ILE A 14 7.791 8.222 3.951 1.00 0.00 H new ATOM 0 HA ILE A 14 9.444 8.248 1.636 1.00 0.00 H new ATOM 0 HB ILE A 14 10.898 6.859 3.193 1.00 0.00 H new ATOM 0 HG12 ILE A 14 8.325 6.784 4.837 1.00 0.00 H new ATOM 0 HG13 ILE A 14 9.155 5.408 4.138 1.00 0.00 H new ATOM 0 HG21 ILE A 14 10.960 8.509 5.043 1.00 0.00 H new ATOM 0 HG22 ILE A 14 10.772 9.318 3.469 1.00 0.00 H new ATOM 0 HG23 ILE A 14 9.367 9.126 4.545 1.00 0.00 H new ATOM 0 HD11 ILE A 14 9.719 5.641 6.545 1.00 0.00 H new ATOM 0 HD12 ILE A 14 11.165 5.891 5.539 1.00 0.00 H new ATOM 0 HD13 ILE A 14 10.322 7.288 6.249 1.00 0.00 H new ATOM 215 N VAL A 15 9.882 5.556 1.252 1.00 0.00 N ATOM 216 CA VAL A 15 9.757 4.271 0.504 1.00 0.00 C ATOM 217 C VAL A 15 9.476 3.088 1.444 1.00 0.00 C ATOM 218 O VAL A 15 8.682 2.228 1.116 1.00 0.00 O ATOM 219 CB VAL A 15 11.104 4.084 -0.190 1.00 0.00 C ATOM 220 CG1 VAL A 15 11.200 2.656 -0.731 1.00 0.00 C ATOM 221 CG2 VAL A 15 11.221 5.076 -1.350 1.00 0.00 C ATOM 0 H VAL A 15 10.839 5.845 1.454 1.00 0.00 H new ATOM 0 HA VAL A 15 8.923 4.304 -0.197 1.00 0.00 H new ATOM 0 HB VAL A 15 11.910 4.261 0.522 1.00 0.00 H new ATOM 0 HG11 VAL A 15 12.161 2.519 -1.227 1.00 0.00 H new ATOM 0 HG12 VAL A 15 11.113 1.948 0.093 1.00 0.00 H new ATOM 0 HG13 VAL A 15 10.395 2.482 -1.445 1.00 0.00 H new ATOM 0 HG21 VAL A 15 12.182 4.944 -1.846 1.00 0.00 H new ATOM 0 HG22 VAL A 15 10.417 4.898 -2.064 1.00 0.00 H new ATOM 0 HG23 VAL A 15 11.148 6.094 -0.967 1.00 0.00 H new ATOM 231 N PRO A 16 10.138 3.058 2.579 1.00 0.00 N ATOM 232 CA PRO A 16 9.930 1.937 3.527 1.00 0.00 C ATOM 233 C PRO A 16 8.544 2.032 4.164 1.00 0.00 C ATOM 234 O PRO A 16 8.061 1.094 4.768 1.00 0.00 O ATOM 235 CB PRO A 16 11.041 2.119 4.557 1.00 0.00 C ATOM 236 CG PRO A 16 11.395 3.568 4.495 1.00 0.00 C ATOM 237 CD PRO A 16 11.111 4.035 3.089 1.00 0.00 C ATOM 0 HA PRO A 16 9.970 0.956 3.054 1.00 0.00 H new ATOM 0 HB2 PRO A 16 10.704 1.838 5.555 1.00 0.00 H new ATOM 0 HB3 PRO A 16 11.902 1.492 4.323 1.00 0.00 H new ATOM 0 HG2 PRO A 16 10.809 4.139 5.216 1.00 0.00 H new ATOM 0 HG3 PRO A 16 12.445 3.719 4.746 1.00 0.00 H new ATOM 0 HD2 PRO A 16 10.704 5.046 3.079 1.00 0.00 H new ATOM 0 HD3 PRO A 16 12.017 4.050 2.483 1.00 0.00 H new ATOM 245 N GLU A 17 7.891 3.150 4.015 1.00 0.00 N ATOM 246 CA GLU A 17 6.526 3.296 4.588 1.00 0.00 C ATOM 247 C GLU A 17 5.501 2.730 3.601 1.00 0.00 C ATOM 248 O GLU A 17 4.345 2.540 3.925 1.00 0.00 O ATOM 249 CB GLU A 17 6.326 4.800 4.774 1.00 0.00 C ATOM 250 CG GLU A 17 6.013 5.095 6.241 1.00 0.00 C ATOM 251 CD GLU A 17 7.194 5.829 6.879 1.00 0.00 C ATOM 252 OE1 GLU A 17 7.311 7.024 6.661 1.00 0.00 O ATOM 253 OE2 GLU A 17 7.961 5.184 7.575 1.00 0.00 O ATOM 0 H GLU A 17 8.244 3.969 3.521 1.00 0.00 H new ATOM 0 HA GLU A 17 6.404 2.761 5.530 1.00 0.00 H new ATOM 0 HB2 GLU A 17 7.223 5.338 4.467 1.00 0.00 H new ATOM 0 HB3 GLU A 17 5.512 5.151 4.140 1.00 0.00 H new ATOM 0 HG2 GLU A 17 5.111 5.702 6.316 1.00 0.00 H new ATOM 0 HG3 GLU A 17 5.817 4.166 6.776 1.00 0.00 H new ATOM 260 N ARG A 18 5.926 2.459 2.396 1.00 0.00 N ATOM 261 CA ARG A 18 4.995 1.902 1.374 1.00 0.00 C ATOM 262 C ARG A 18 5.194 0.388 1.255 1.00 0.00 C ATOM 263 O ARG A 18 4.263 -0.383 1.371 1.00 0.00 O ATOM 264 CB ARG A 18 5.387 2.595 0.069 1.00 0.00 C ATOM 265 CG ARG A 18 4.456 3.781 -0.187 1.00 0.00 C ATOM 266 CD ARG A 18 5.123 4.751 -1.166 1.00 0.00 C ATOM 267 NE ARG A 18 5.522 3.912 -2.331 1.00 0.00 N ATOM 268 CZ ARG A 18 5.954 4.477 -3.423 1.00 0.00 C ATOM 269 NH1 ARG A 18 5.149 5.214 -4.139 1.00 0.00 N ATOM 270 NH2 ARG A 18 7.192 4.305 -3.802 1.00 0.00 N ATOM 0 H ARG A 18 6.884 2.601 2.075 1.00 0.00 H new ATOM 0 HA ARG A 18 3.948 2.069 1.628 1.00 0.00 H new ATOM 0 HB2 ARG A 18 6.420 2.937 0.124 1.00 0.00 H new ATOM 0 HB3 ARG A 18 5.329 1.890 -0.760 1.00 0.00 H new ATOM 0 HG2 ARG A 18 3.507 3.431 -0.594 1.00 0.00 H new ATOM 0 HG3 ARG A 18 4.232 4.290 0.750 1.00 0.00 H new ATOM 0 HD2 ARG A 18 4.436 5.542 -1.467 1.00 0.00 H new ATOM 0 HD3 ARG A 18 5.989 5.235 -0.714 1.00 0.00 H new ATOM 0 HE ARG A 18 5.457 2.896 -2.274 1.00 0.00 H new ATOM 0 HH11 ARG A 18 4.182 5.348 -3.844 1.00 0.00 H new ATOM 0 HH12 ARG A 18 5.487 5.656 -4.994 1.00 0.00 H new ATOM 0 HH21 ARG A 18 7.821 3.728 -3.243 1.00 0.00 H new ATOM 0 HH22 ARG A 18 7.530 4.747 -4.657 1.00 0.00 H new ATOM 284 N HIS A 19 6.407 -0.041 1.020 1.00 0.00 N ATOM 285 CA HIS A 19 6.670 -1.504 0.891 1.00 0.00 C ATOM 286 C HIS A 19 6.226 -2.239 2.158 1.00 0.00 C ATOM 287 O HIS A 19 5.670 -3.318 2.098 1.00 0.00 O ATOM 288 CB HIS A 19 8.186 -1.617 0.715 1.00 0.00 C ATOM 289 CG HIS A 19 8.516 -1.757 -0.745 1.00 0.00 C ATOM 290 ND1 HIS A 19 8.270 -2.925 -1.450 1.00 0.00 N ATOM 291 CD2 HIS A 19 9.076 -0.887 -1.646 1.00 0.00 C ATOM 292 CE1 HIS A 19 8.678 -2.728 -2.717 1.00 0.00 C ATOM 293 NE2 HIS A 19 9.178 -1.501 -2.891 1.00 0.00 N ATOM 0 H HIS A 19 7.225 0.558 0.912 1.00 0.00 H new ATOM 0 HA HIS A 19 6.124 -1.948 0.059 1.00 0.00 H new ATOM 0 HB2 HIS A 19 8.677 -0.735 1.126 1.00 0.00 H new ATOM 0 HB3 HIS A 19 8.563 -2.478 1.267 1.00 0.00 H new ATOM 0 HD2 HIS A 19 9.390 0.122 -1.423 1.00 0.00 H new ATOM 0 HE1 HIS A 19 8.610 -3.471 -3.498 1.00 0.00 H new ATOM 0 HE2 HIS A 19 9.553 -1.101 -3.751 1.00 0.00 H new ATOM 301 N GLU A 20 6.473 -1.668 3.305 1.00 0.00 N ATOM 302 CA GLU A 20 6.069 -2.340 4.574 1.00 0.00 C ATOM 303 C GLU A 20 4.552 -2.262 4.760 1.00 0.00 C ATOM 304 O GLU A 20 3.977 -2.993 5.544 1.00 0.00 O ATOM 305 CB GLU A 20 6.784 -1.564 5.680 1.00 0.00 C ATOM 306 CG GLU A 20 6.201 -1.958 7.040 1.00 0.00 C ATOM 307 CD GLU A 20 7.338 -2.236 8.024 1.00 0.00 C ATOM 308 OE1 GLU A 20 8.001 -1.289 8.415 1.00 0.00 O ATOM 309 OE2 GLU A 20 7.528 -3.390 8.369 1.00 0.00 O ATOM 0 H GLU A 20 6.936 -0.767 3.419 1.00 0.00 H new ATOM 0 HA GLU A 20 6.334 -3.397 4.580 1.00 0.00 H new ATOM 0 HB2 GLU A 20 7.853 -1.777 5.655 1.00 0.00 H new ATOM 0 HB3 GLU A 20 6.668 -0.492 5.520 1.00 0.00 H new ATOM 0 HG2 GLU A 20 5.565 -1.158 7.420 1.00 0.00 H new ATOM 0 HG3 GLU A 20 5.573 -2.842 6.935 1.00 0.00 H new ATOM 316 N CYS A 21 3.897 -1.384 4.053 1.00 0.00 N ATOM 317 CA CYS A 21 2.419 -1.269 4.200 1.00 0.00 C ATOM 318 C CYS A 21 1.725 -2.497 3.604 1.00 0.00 C ATOM 319 O CYS A 21 0.834 -3.067 4.201 1.00 0.00 O ATOM 320 CB CYS A 21 2.033 -0.014 3.420 1.00 0.00 C ATOM 321 SG CYS A 21 0.231 0.092 3.324 1.00 0.00 S ATOM 0 H CYS A 21 4.319 -0.743 3.382 1.00 0.00 H new ATOM 0 HA CYS A 21 2.119 -1.209 5.246 1.00 0.00 H new ATOM 0 HB2 CYS A 21 2.436 0.872 3.910 1.00 0.00 H new ATOM 0 HB3 CYS A 21 2.462 -0.047 2.418 1.00 0.00 H new ATOM 326 N CYS A 22 2.124 -2.908 2.429 1.00 0.00 N ATOM 327 CA CYS A 22 1.479 -4.099 1.803 1.00 0.00 C ATOM 328 C CYS A 22 1.961 -5.378 2.489 1.00 0.00 C ATOM 329 O CYS A 22 1.257 -6.365 2.544 1.00 0.00 O ATOM 330 CB CYS A 22 1.922 -4.076 0.339 1.00 0.00 C ATOM 331 SG CYS A 22 1.381 -2.535 -0.441 1.00 0.00 S ATOM 0 H CYS A 22 2.864 -2.473 1.879 1.00 0.00 H new ATOM 0 HA CYS A 22 0.393 -4.075 1.896 1.00 0.00 H new ATOM 0 HB2 CYS A 22 3.007 -4.165 0.276 1.00 0.00 H new ATOM 0 HB3 CYS A 22 1.501 -4.930 -0.191 1.00 0.00 H new ATOM 336 N ARG A 23 3.154 -5.368 3.017 1.00 0.00 N ATOM 337 CA ARG A 23 3.675 -6.586 3.702 1.00 0.00 C ATOM 338 C ARG A 23 3.218 -6.603 5.164 1.00 0.00 C ATOM 339 O ARG A 23 3.250 -7.623 5.823 1.00 0.00 O ATOM 340 CB ARG A 23 5.196 -6.467 3.616 1.00 0.00 C ATOM 341 CG ARG A 23 5.780 -7.768 3.064 1.00 0.00 C ATOM 342 CD ARG A 23 7.050 -8.127 3.838 1.00 0.00 C ATOM 343 NE ARG A 23 7.876 -8.911 2.878 1.00 0.00 N ATOM 344 CZ ARG A 23 8.813 -9.704 3.322 1.00 0.00 C ATOM 345 NH1 ARG A 23 8.504 -10.879 3.797 1.00 0.00 N ATOM 346 NH2 ARG A 23 10.060 -9.320 3.290 1.00 0.00 N ATOM 0 H ARG A 23 3.790 -4.571 3.004 1.00 0.00 H new ATOM 0 HA ARG A 23 3.313 -7.507 3.245 1.00 0.00 H new ATOM 0 HB2 ARG A 23 5.470 -5.631 2.972 1.00 0.00 H new ATOM 0 HB3 ARG A 23 5.611 -6.259 4.602 1.00 0.00 H new ATOM 0 HG2 ARG A 23 5.049 -8.572 3.150 1.00 0.00 H new ATOM 0 HG3 ARG A 23 6.007 -7.656 2.004 1.00 0.00 H new ATOM 0 HD2 ARG A 23 7.575 -7.232 4.172 1.00 0.00 H new ATOM 0 HD3 ARG A 23 6.818 -8.711 4.728 1.00 0.00 H new ATOM 0 HE ARG A 23 7.710 -8.828 1.875 1.00 0.00 H new ATOM 0 HH11 ARG A 23 7.529 -11.179 3.822 1.00 0.00 H new ATOM 0 HH12 ARG A 23 9.237 -11.498 4.144 1.00 0.00 H new ATOM 0 HH21 ARG A 23 10.301 -8.401 2.918 1.00 0.00 H new ATOM 0 HH22 ARG A 23 10.793 -9.939 3.637 1.00 0.00 H new ATOM 360 N ALA A 24 2.796 -5.479 5.675 1.00 0.00 N ATOM 361 CA ALA A 24 2.340 -5.429 7.094 1.00 0.00 C ATOM 362 C ALA A 24 0.851 -5.777 7.188 1.00 0.00 C ATOM 363 O ALA A 24 0.293 -5.868 8.263 1.00 0.00 O ATOM 364 CB ALA A 24 2.581 -3.985 7.535 1.00 0.00 C ATOM 0 H ALA A 24 2.747 -4.593 5.172 1.00 0.00 H new ATOM 0 HA ALA A 24 2.871 -6.143 7.723 1.00 0.00 H new ATOM 0 HB1 ALA A 24 2.270 -3.865 8.573 1.00 0.00 H new ATOM 0 HB2 ALA A 24 3.641 -3.749 7.444 1.00 0.00 H new ATOM 0 HB3 ALA A 24 2.004 -3.310 6.903 1.00 0.00 H new ATOM 370 N HIS A 25 0.203 -5.971 6.070 1.00 0.00 N ATOM 371 CA HIS A 25 -1.249 -6.312 6.103 1.00 0.00 C ATOM 372 C HIS A 25 -1.467 -7.763 5.663 1.00 0.00 C ATOM 373 O HIS A 25 -2.065 -8.552 6.367 1.00 0.00 O ATOM 374 CB HIS A 25 -1.905 -5.343 5.117 1.00 0.00 C ATOM 375 CG HIS A 25 -2.712 -4.327 5.878 1.00 0.00 C ATOM 376 ND1 HIS A 25 -2.161 -3.143 6.341 1.00 0.00 N ATOM 377 CD2 HIS A 25 -4.029 -4.305 6.267 1.00 0.00 C ATOM 378 CE1 HIS A 25 -3.134 -2.464 6.976 1.00 0.00 C ATOM 379 NE2 HIS A 25 -4.293 -3.127 6.960 1.00 0.00 N ATOM 0 H HIS A 25 0.615 -5.908 5.139 1.00 0.00 H new ATOM 0 HA HIS A 25 -1.671 -6.222 7.104 1.00 0.00 H new ATOM 0 HB2 HIS A 25 -1.143 -4.844 4.519 1.00 0.00 H new ATOM 0 HB3 HIS A 25 -2.546 -5.889 4.425 1.00 0.00 H new ATOM 0 HD2 HIS A 25 -4.750 -5.083 6.066 1.00 0.00 H new ATOM 0 HE1 HIS A 25 -2.994 -1.500 7.442 1.00 0.00 H new ATOM 0 HE2 HIS A 25 -5.181 -2.833 7.368 1.00 0.00 H new ATOM 387 N GLY A 26 -0.986 -8.123 4.504 1.00 0.00 N ATOM 388 CA GLY A 26 -1.167 -9.523 4.024 1.00 0.00 C ATOM 389 C GLY A 26 -1.159 -9.544 2.493 1.00 0.00 C ATOM 390 O GLY A 26 -1.921 -10.255 1.868 1.00 0.00 O ATOM 0 H GLY A 26 -0.476 -7.509 3.869 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -0.369 -10.157 4.411 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -2.107 -9.928 4.399 1.00 0.00 H new ATOM 394 N ARG A 27 -0.305 -8.767 1.887 1.00 0.00 N ATOM 395 CA ARG A 27 -0.245 -8.733 0.400 1.00 0.00 C ATOM 396 C ARG A 27 1.043 -9.401 -0.091 1.00 0.00 C ATOM 397 O ARG A 27 1.709 -10.104 0.642 1.00 0.00 O ATOM 398 CB ARG A 27 -0.242 -7.246 0.042 1.00 0.00 C ATOM 399 CG ARG A 27 -1.257 -6.498 0.910 1.00 0.00 C ATOM 400 CD ARG A 27 -2.657 -7.060 0.659 1.00 0.00 C ATOM 401 NE ARG A 27 -3.303 -7.092 2.001 1.00 0.00 N ATOM 402 CZ ARG A 27 -4.520 -7.544 2.127 1.00 0.00 C ATOM 403 NH1 ARG A 27 -5.425 -7.240 1.236 1.00 0.00 N ATOM 404 NH2 ARG A 27 -4.832 -8.300 3.143 1.00 0.00 N ATOM 0 H ARG A 27 0.357 -8.152 2.360 1.00 0.00 H new ATOM 0 HA ARG A 27 -1.077 -9.265 -0.061 1.00 0.00 H new ATOM 0 HB2 ARG A 27 0.754 -6.829 0.191 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -0.487 -7.117 -1.012 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -0.996 -6.601 1.963 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -1.234 -5.433 0.678 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -3.217 -6.432 -0.034 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -2.610 -8.056 0.219 1.00 0.00 H new ATOM 0 HE ARG A 27 -2.794 -6.761 2.821 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -5.180 -6.649 0.441 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -6.377 -7.594 1.335 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -4.124 -8.537 3.838 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -5.784 -8.654 3.242 1.00 0.00 H new ATOM 418 N SER A 28 1.398 -9.184 -1.329 1.00 0.00 N ATOM 419 CA SER A 28 2.643 -9.802 -1.868 1.00 0.00 C ATOM 420 C SER A 28 3.614 -8.712 -2.337 1.00 0.00 C ATOM 421 O SER A 28 4.722 -8.989 -2.747 1.00 0.00 O ATOM 422 CB SER A 28 2.182 -10.656 -3.048 1.00 0.00 C ATOM 423 OG SER A 28 1.206 -11.585 -2.601 1.00 0.00 O ATOM 0 H SER A 28 0.879 -8.606 -1.990 1.00 0.00 H new ATOM 0 HA SER A 28 3.169 -10.394 -1.119 1.00 0.00 H new ATOM 0 HB2 SER A 28 1.766 -10.021 -3.830 1.00 0.00 H new ATOM 0 HB3 SER A 28 3.031 -11.184 -3.484 1.00 0.00 H new ATOM 0 HG SER A 28 0.907 -12.134 -3.356 1.00 0.00 H new ATOM 429 N GLY A 29 3.202 -7.475 -2.279 1.00 0.00 N ATOM 430 CA GLY A 29 4.098 -6.367 -2.721 1.00 0.00 C ATOM 431 C GLY A 29 3.266 -5.105 -2.961 1.00 0.00 C ATOM 432 O GLY A 29 2.053 -5.129 -2.891 1.00 0.00 O ATOM 0 H GLY A 29 2.284 -7.183 -1.945 1.00 0.00 H new ATOM 0 HA2 GLY A 29 4.859 -6.176 -1.964 1.00 0.00 H new ATOM 0 HA3 GLY A 29 4.621 -6.650 -3.634 1.00 0.00 H new ATOM 436 N TYR A 30 3.905 -4.002 -3.241 1.00 0.00 N ATOM 437 CA TYR A 30 3.144 -2.742 -3.484 1.00 0.00 C ATOM 438 C TYR A 30 2.919 -2.541 -4.988 1.00 0.00 C ATOM 439 O TYR A 30 3.742 -2.912 -5.802 1.00 0.00 O ATOM 440 CB TYR A 30 4.024 -1.628 -2.901 1.00 0.00 C ATOM 441 CG TYR A 30 5.105 -1.250 -3.888 1.00 0.00 C ATOM 442 CD1 TYR A 30 6.266 -2.025 -3.988 1.00 0.00 C ATOM 443 CD2 TYR A 30 4.944 -0.122 -4.703 1.00 0.00 C ATOM 444 CE1 TYR A 30 7.266 -1.673 -4.903 1.00 0.00 C ATOM 445 CE2 TYR A 30 5.942 0.230 -5.618 1.00 0.00 C ATOM 446 CZ TYR A 30 7.104 -0.546 -5.718 1.00 0.00 C ATOM 447 OH TYR A 30 8.090 -0.200 -6.620 1.00 0.00 O ATOM 0 H TYR A 30 4.919 -3.918 -3.312 1.00 0.00 H new ATOM 0 HA TYR A 30 2.157 -2.755 -3.023 1.00 0.00 H new ATOM 0 HB2 TYR A 30 3.413 -0.756 -2.667 1.00 0.00 H new ATOM 0 HB3 TYR A 30 4.475 -1.961 -1.966 1.00 0.00 H new ATOM 0 HD1 TYR A 30 6.391 -2.894 -3.360 1.00 0.00 H new ATOM 0 HD2 TYR A 30 4.048 0.477 -4.625 1.00 0.00 H new ATOM 0 HE1 TYR A 30 8.162 -2.271 -4.980 1.00 0.00 H new ATOM 0 HE2 TYR A 30 5.817 1.099 -6.247 1.00 0.00 H new ATOM 0 HH TYR A 30 7.819 0.606 -7.107 1.00 0.00 H new ATOM 457 N ALA A 31 1.813 -1.958 -5.363 1.00 0.00 N ATOM 458 CA ALA A 31 1.544 -1.739 -6.814 1.00 0.00 C ATOM 459 C ALA A 31 1.563 -0.250 -7.146 1.00 0.00 C ATOM 460 O ALA A 31 2.342 0.208 -7.959 1.00 0.00 O ATOM 461 CB ALA A 31 0.141 -2.291 -7.057 1.00 0.00 C ATOM 0 H ALA A 31 1.086 -1.625 -4.730 1.00 0.00 H new ATOM 0 HA ALA A 31 2.298 -2.225 -7.433 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -0.124 -2.163 -8.107 1.00 0.00 H new ATOM 0 HB2 ALA A 31 0.118 -3.351 -6.804 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -0.574 -1.754 -6.434 1.00 0.00 H new ATOM 467 N TYR A 32 0.687 0.502 -6.545 1.00 0.00 N ATOM 468 CA TYR A 32 0.627 1.957 -6.852 1.00 0.00 C ATOM 469 C TYR A 32 -0.442 2.635 -5.991 1.00 0.00 C ATOM 470 O TYR A 32 -0.881 2.102 -4.992 1.00 0.00 O ATOM 471 CB TYR A 32 0.240 2.016 -8.333 1.00 0.00 C ATOM 472 CG TYR A 32 -0.799 0.954 -8.630 1.00 0.00 C ATOM 473 CD1 TYR A 32 -2.135 1.160 -8.266 1.00 0.00 C ATOM 474 CD2 TYR A 32 -0.424 -0.238 -9.266 1.00 0.00 C ATOM 475 CE1 TYR A 32 -3.095 0.180 -8.538 1.00 0.00 C ATOM 476 CE2 TYR A 32 -1.386 -1.219 -9.536 1.00 0.00 C ATOM 477 CZ TYR A 32 -2.721 -1.010 -9.174 1.00 0.00 C ATOM 478 OH TYR A 32 -3.669 -1.977 -9.442 1.00 0.00 O ATOM 0 H TYR A 32 0.011 0.174 -5.856 1.00 0.00 H new ATOM 0 HA TYR A 32 1.567 2.469 -6.647 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -0.154 3.003 -8.577 1.00 0.00 H new ATOM 0 HB3 TYR A 32 1.121 1.861 -8.956 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -2.425 2.077 -7.774 1.00 0.00 H new ATOM 0 HD2 TYR A 32 0.606 -0.399 -9.547 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -4.125 0.341 -8.257 1.00 0.00 H new ATOM 0 HE2 TYR A 32 -1.097 -2.138 -10.024 1.00 0.00 H new ATOM 0 HH TYR A 32 -3.243 -2.739 -9.887 1.00 0.00 H new ATOM 488 N CYS A 33 -0.870 3.806 -6.378 1.00 0.00 N ATOM 489 CA CYS A 33 -1.917 4.520 -5.592 1.00 0.00 C ATOM 490 C CYS A 33 -2.979 5.087 -6.537 1.00 0.00 C ATOM 491 O CYS A 33 -2.685 5.876 -7.413 1.00 0.00 O ATOM 492 CB CYS A 33 -1.173 5.646 -4.873 1.00 0.00 C ATOM 493 SG CYS A 33 -1.406 5.482 -3.085 1.00 0.00 S ATOM 0 H CYS A 33 -0.539 4.300 -7.207 1.00 0.00 H new ATOM 0 HA CYS A 33 -2.433 3.865 -4.889 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -0.111 5.608 -5.117 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -1.543 6.614 -5.211 1.00 0.00 H new ATOM 498 N SER A 34 -4.209 4.689 -6.368 1.00 0.00 N ATOM 499 CA SER A 34 -5.287 5.203 -7.263 1.00 0.00 C ATOM 500 C SER A 34 -6.362 5.924 -6.444 1.00 0.00 C ATOM 501 O SER A 34 -6.453 5.764 -5.243 1.00 0.00 O ATOM 502 CB SER A 34 -5.864 3.957 -7.939 1.00 0.00 C ATOM 503 OG SER A 34 -7.264 3.889 -7.695 1.00 0.00 O ATOM 0 H SER A 34 -4.516 4.032 -5.651 1.00 0.00 H new ATOM 0 HA SER A 34 -4.913 5.924 -7.990 1.00 0.00 H new ATOM 0 HB2 SER A 34 -5.672 3.991 -9.012 1.00 0.00 H new ATOM 0 HB3 SER A 34 -5.374 3.062 -7.556 1.00 0.00 H new ATOM 0 HG SER A 34 -7.633 3.092 -8.129 1.00 0.00 H new ATOM 509 N GLY A 35 -7.176 6.716 -7.087 1.00 0.00 N ATOM 510 CA GLY A 35 -8.246 7.445 -6.349 1.00 0.00 C ATOM 511 C GLY A 35 -9.201 6.436 -5.711 1.00 0.00 C ATOM 512 O GLY A 35 -9.681 5.526 -6.358 1.00 0.00 O ATOM 0 H GLY A 35 -7.146 6.890 -8.092 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -7.805 8.081 -5.581 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -8.792 8.099 -7.029 1.00 0.00 H new ATOM 516 N GLY A 36 -9.479 6.588 -4.447 1.00 0.00 N ATOM 517 CA GLY A 36 -10.402 5.634 -3.767 1.00 0.00 C ATOM 518 C GLY A 36 -9.613 4.789 -2.767 1.00 0.00 C ATOM 519 O GLY A 36 -10.120 4.395 -1.737 1.00 0.00 O ATOM 0 H GLY A 36 -9.108 7.331 -3.854 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -11.193 6.180 -3.254 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -10.884 4.991 -4.503 1.00 0.00 H new ATOM 523 N GLY A 37 -8.372 4.508 -3.063 1.00 0.00 N ATOM 524 CA GLY A 37 -7.551 3.688 -2.129 1.00 0.00 C ATOM 525 C GLY A 37 -6.271 3.236 -2.834 1.00 0.00 C ATOM 526 O GLY A 37 -6.120 3.396 -4.029 1.00 0.00 O ATOM 0 H GLY A 37 -7.893 4.811 -3.911 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -7.303 4.269 -1.241 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -8.120 2.820 -1.794 1.00 0.00 H new ATOM 530 N MET A 38 -5.349 2.673 -2.104 1.00 0.00 N ATOM 531 CA MET A 38 -4.079 2.207 -2.731 1.00 0.00 C ATOM 532 C MET A 38 -4.177 0.721 -3.077 1.00 0.00 C ATOM 533 O MET A 38 -5.064 0.026 -2.623 1.00 0.00 O ATOM 534 CB MET A 38 -3.006 2.433 -1.667 1.00 0.00 C ATOM 535 CG MET A 38 -1.641 2.607 -2.340 1.00 0.00 C ATOM 536 SD MET A 38 -0.812 1.002 -2.461 1.00 0.00 S ATOM 537 CE MET A 38 0.872 1.633 -2.666 1.00 0.00 C ATOM 0 H MET A 38 -5.419 2.515 -1.099 1.00 0.00 H new ATOM 0 HA MET A 38 -3.857 2.738 -3.656 1.00 0.00 H new ATOM 0 HB2 MET A 38 -3.246 3.317 -1.076 1.00 0.00 H new ATOM 0 HB3 MET A 38 -2.978 1.588 -0.979 1.00 0.00 H new ATOM 0 HG2 MET A 38 -1.767 3.038 -3.333 1.00 0.00 H new ATOM 0 HG3 MET A 38 -1.028 3.302 -1.766 1.00 0.00 H new ATOM 0 HE1 MET A 38 1.448 0.940 -3.279 1.00 0.00 H new ATOM 0 HE2 MET A 38 0.839 2.607 -3.154 1.00 0.00 H new ATOM 0 HE3 MET A 38 1.345 1.732 -1.689 1.00 0.00 H new ATOM 547 N TYR A 39 -3.274 0.227 -3.876 1.00 0.00 N ATOM 548 CA TYR A 39 -3.319 -1.215 -4.244 1.00 0.00 C ATOM 549 C TYR A 39 -1.939 -1.849 -4.069 1.00 0.00 C ATOM 550 O TYR A 39 -0.923 -1.233 -4.324 1.00 0.00 O ATOM 551 CB TYR A 39 -3.746 -1.233 -5.709 1.00 0.00 C ATOM 552 CG TYR A 39 -5.156 -0.710 -5.812 1.00 0.00 C ATOM 553 CD1 TYR A 39 -5.396 0.668 -5.771 1.00 0.00 C ATOM 554 CD2 TYR A 39 -6.225 -1.604 -5.938 1.00 0.00 C ATOM 555 CE1 TYR A 39 -6.706 1.152 -5.857 1.00 0.00 C ATOM 556 CE2 TYR A 39 -7.535 -1.122 -6.024 1.00 0.00 C ATOM 557 CZ TYR A 39 -7.777 0.258 -5.985 1.00 0.00 C ATOM 558 OH TYR A 39 -9.069 0.735 -6.069 1.00 0.00 O ATOM 0 H TYR A 39 -2.508 0.758 -4.290 1.00 0.00 H new ATOM 0 HA TYR A 39 -4.005 -1.784 -3.616 1.00 0.00 H new ATOM 0 HB2 TYR A 39 -3.072 -0.619 -6.306 1.00 0.00 H new ATOM 0 HB3 TYR A 39 -3.690 -2.247 -6.106 1.00 0.00 H new ATOM 0 HD1 TYR A 39 -4.571 1.358 -5.673 1.00 0.00 H new ATOM 0 HD2 TYR A 39 -6.038 -2.667 -5.969 1.00 0.00 H new ATOM 0 HE1 TYR A 39 -6.892 2.215 -5.825 1.00 0.00 H new ATOM 0 HE2 TYR A 39 -8.360 -1.813 -6.120 1.00 0.00 H new ATOM 0 HH TYR A 39 -9.691 -0.018 -6.155 1.00 0.00 H new ATOM 568 N CYS A 40 -1.894 -3.076 -3.631 1.00 0.00 N ATOM 569 CA CYS A 40 -0.576 -3.748 -3.435 1.00 0.00 C ATOM 570 C CYS A 40 -0.431 -4.922 -4.409 1.00 0.00 C ATOM 571 O CYS A 40 -1.359 -5.672 -4.635 1.00 0.00 O ATOM 572 CB CYS A 40 -0.591 -4.247 -1.987 1.00 0.00 C ATOM 573 SG CYS A 40 -0.575 -2.834 -0.855 1.00 0.00 S ATOM 0 H CYS A 40 -2.710 -3.643 -3.400 1.00 0.00 H new ATOM 0 HA CYS A 40 0.261 -3.075 -3.622 1.00 0.00 H new ATOM 0 HB2 CYS A 40 -1.478 -4.856 -1.811 1.00 0.00 H new ATOM 0 HB3 CYS A 40 0.275 -4.883 -1.802 1.00 0.00 H new