USER MOD reduce.3.24.130724 H: found=0, std=0, add=577, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 577 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 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 38 THR OG1 : rot 130:sc= -2.49! USER MOD Single : A 45 GLN : amide:sc= -0.298 X(o=-0.3,f=0) USER MOD Single : A 48 ASN : amide:sc= 0 X(o=0,f=-0.03) USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 SER OG : rot -143:sc= -1.49 USER MOD Single : A 55 GLN : amide:sc= -4.78 K(o=-4.8,f=-8.2!) USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 58 GLN :FLIP amide:sc= -1.48! C(o=-9.1!,f=-1.5!) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 SER OG : rot 170:sc= -0.192 USER MOD Single : A 75 SER OG : rot 141:sc= -1.94! USER MOD Single : A 92 SER OG : rot 110:sc= -3.26! USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -3.864 -16.788 -16.934 1.00 0.00 N ATOM 2 CA ALA A 1 -2.585 -16.100 -17.245 1.00 0.00 C ATOM 3 C ALA A 1 -1.404 -16.816 -16.596 1.00 0.00 C ATOM 4 O ALA A 1 -1.139 -16.642 -15.407 1.00 0.00 O ATOM 5 CB ALA A 1 -2.640 -14.652 -16.783 1.00 0.00 C ATOM 0 H1 ALA A 1 -4.650 -16.280 -17.387 1.00 0.00 H new ATOM 0 H2 ALA A 1 -3.829 -17.764 -17.292 1.00 0.00 H new ATOM 0 H3 ALA A 1 -4.009 -16.802 -15.904 1.00 0.00 H new ATOM 0 HA ALA A 1 -2.443 -16.123 -18.325 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -1.696 -14.159 -17.017 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -3.454 -14.138 -17.294 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -2.809 -14.620 -15.707 1.00 0.00 H new ATOM 13 N VAL A 2 -0.703 -17.623 -17.384 1.00 0.00 N ATOM 14 CA VAL A 2 0.449 -18.366 -16.884 1.00 0.00 C ATOM 15 C VAL A 2 1.677 -17.470 -16.775 1.00 0.00 C ATOM 16 O VAL A 2 1.948 -16.659 -17.663 1.00 0.00 O ATOM 17 CB VAL A 2 0.778 -19.566 -17.792 1.00 0.00 C ATOM 18 CG1 VAL A 2 -0.289 -20.642 -17.665 1.00 0.00 C ATOM 19 CG2 VAL A 2 0.925 -19.119 -19.238 1.00 0.00 C ATOM 0 H VAL A 2 -0.911 -17.780 -18.370 1.00 0.00 H new ATOM 0 HA VAL A 2 0.184 -18.733 -15.892 1.00 0.00 H new ATOM 0 HB VAL A 2 1.729 -19.990 -17.469 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -0.039 -21.481 -18.314 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -0.339 -20.985 -16.632 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -1.256 -20.232 -17.958 1.00 0.00 H new ATOM 0 HG21 VAL A 2 1.157 -19.981 -19.863 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -0.007 -18.666 -19.576 1.00 0.00 H new ATOM 0 HG23 VAL A 2 1.731 -18.389 -19.313 1.00 0.00 H new ATOM 29 N LEU A 3 2.398 -17.600 -15.667 1.00 0.00 N ATOM 30 CA LEU A 3 3.562 -16.802 -15.407 1.00 0.00 C ATOM 31 C LEU A 3 4.741 -17.159 -16.278 1.00 0.00 C ATOM 32 O LEU A 3 4.766 -18.200 -16.938 1.00 0.00 O ATOM 33 CB LEU A 3 3.970 -16.953 -13.940 1.00 0.00 C ATOM 34 CG LEU A 3 3.536 -15.818 -13.010 1.00 0.00 C ATOM 35 CD1 LEU A 3 3.218 -14.592 -13.833 1.00 0.00 C ATOM 36 CD2 LEU A 3 2.334 -16.238 -12.178 1.00 0.00 C ATOM 0 H LEU A 3 2.180 -18.269 -14.928 1.00 0.00 H new ATOM 0 HA LEU A 3 3.288 -15.773 -15.638 1.00 0.00 H new ATOM 0 HB2 LEU A 3 3.555 -17.887 -13.561 1.00 0.00 H new ATOM 0 HB3 LEU A 3 5.055 -17.043 -13.891 1.00 0.00 H new ATOM 0 HG LEU A 3 4.349 -15.584 -12.323 1.00 0.00 H new ATOM 0 HD11 LEU A 3 2.908 -13.781 -13.173 1.00 0.00 H new ATOM 0 HD12 LEU A 3 4.104 -14.288 -14.390 1.00 0.00 H new ATOM 0 HD13 LEU A 3 2.412 -14.821 -14.530 1.00 0.00 H new ATOM 0 HD21 LEU A 3 2.040 -15.418 -11.523 1.00 0.00 H new ATOM 0 HD22 LEU A 3 1.504 -16.490 -12.839 1.00 0.00 H new ATOM 0 HD23 LEU A 3 2.595 -17.108 -11.575 1.00 0.00 H new ATOM 48 N ASP A 4 5.744 -16.292 -16.225 1.00 0.00 N ATOM 49 CA ASP A 4 6.955 -16.496 -16.955 1.00 0.00 C ATOM 50 C ASP A 4 7.834 -17.451 -16.173 1.00 0.00 C ATOM 51 O ASP A 4 8.015 -18.613 -16.533 1.00 0.00 O ATOM 52 CB ASP A 4 7.673 -15.167 -17.204 1.00 0.00 C ATOM 53 CG ASP A 4 8.653 -15.251 -18.358 1.00 0.00 C ATOM 54 OD1 ASP A 4 8.313 -15.882 -19.383 1.00 0.00 O ATOM 55 OD2 ASP A 4 9.762 -14.689 -18.240 1.00 0.00 O ATOM 0 H ASP A 4 5.726 -15.435 -15.672 1.00 0.00 H new ATOM 0 HA ASP A 4 6.728 -16.926 -17.931 1.00 0.00 H new ATOM 0 HB2 ASP A 4 6.936 -14.391 -17.412 1.00 0.00 H new ATOM 0 HB3 ASP A 4 8.204 -14.868 -16.300 1.00 0.00 H new ATOM 60 N LEU A 5 8.347 -16.931 -15.086 1.00 0.00 N ATOM 61 CA LEU A 5 9.183 -17.665 -14.171 1.00 0.00 C ATOM 62 C LEU A 5 8.317 -18.627 -13.376 1.00 0.00 C ATOM 63 O LEU A 5 8.289 -19.845 -13.594 1.00 0.00 O ATOM 64 CB LEU A 5 9.987 -16.700 -13.232 1.00 0.00 C ATOM 65 CG LEU A 5 9.191 -15.788 -12.253 1.00 0.00 C ATOM 66 CD1 LEU A 5 7.835 -15.388 -12.828 1.00 0.00 C ATOM 67 CD2 LEU A 5 9.072 -16.442 -10.878 1.00 0.00 C ATOM 0 H LEU A 5 8.191 -15.962 -14.807 1.00 0.00 H new ATOM 0 HA LEU A 5 9.922 -18.234 -14.735 1.00 0.00 H new ATOM 0 HB2 LEU A 5 10.671 -17.307 -12.639 1.00 0.00 H new ATOM 0 HB3 LEU A 5 10.599 -16.056 -13.863 1.00 0.00 H new ATOM 0 HG LEU A 5 9.751 -14.862 -12.123 1.00 0.00 H new ATOM 0 HD11 LEU A 5 7.311 -14.752 -12.115 1.00 0.00 H new ATOM 0 HD12 LEU A 5 7.982 -14.843 -13.761 1.00 0.00 H new ATOM 0 HD13 LEU A 5 7.243 -16.283 -13.020 1.00 0.00 H new ATOM 0 HD21 LEU A 5 8.512 -15.787 -10.211 1.00 0.00 H new ATOM 0 HD22 LEU A 5 8.551 -17.395 -10.972 1.00 0.00 H new ATOM 0 HD23 LEU A 5 10.068 -16.612 -10.468 1.00 0.00 H new ATOM 79 N ASP A 6 7.676 -18.034 -12.427 1.00 0.00 N ATOM 80 CA ASP A 6 6.813 -18.664 -11.489 1.00 0.00 C ATOM 81 C ASP A 6 5.833 -17.646 -10.945 1.00 0.00 C ATOM 82 O ASP A 6 4.632 -17.734 -11.185 1.00 0.00 O ATOM 83 CB ASP A 6 7.646 -19.234 -10.349 1.00 0.00 C ATOM 84 CG ASP A 6 7.442 -20.723 -10.163 1.00 0.00 C ATOM 85 OD1 ASP A 6 6.275 -21.173 -10.213 1.00 0.00 O ATOM 86 OD2 ASP A 6 8.444 -21.439 -9.970 1.00 0.00 O ATOM 0 H ASP A 6 7.747 -17.028 -12.277 1.00 0.00 H new ATOM 0 HA ASP A 6 6.262 -19.469 -11.976 1.00 0.00 H new ATOM 0 HB2 ASP A 6 8.701 -19.037 -10.542 1.00 0.00 H new ATOM 0 HB3 ASP A 6 7.389 -18.718 -9.424 1.00 0.00 H new ATOM 91 N VAL A 7 6.360 -16.670 -10.213 1.00 0.00 N ATOM 92 CA VAL A 7 5.529 -15.623 -9.650 1.00 0.00 C ATOM 93 C VAL A 7 6.006 -14.200 -9.953 1.00 0.00 C ATOM 94 O VAL A 7 5.336 -13.224 -9.612 1.00 0.00 O ATOM 95 CB VAL A 7 5.389 -15.818 -8.126 1.00 0.00 C ATOM 96 CG1 VAL A 7 4.954 -17.240 -7.822 1.00 0.00 C ATOM 97 CG2 VAL A 7 6.693 -15.498 -7.404 1.00 0.00 C ATOM 0 H VAL A 7 7.354 -16.586 -9.999 1.00 0.00 H new ATOM 0 HA VAL A 7 4.561 -15.722 -10.140 1.00 0.00 H new ATOM 0 HB VAL A 7 4.629 -15.126 -7.764 1.00 0.00 H new ATOM 0 HG11 VAL A 7 4.858 -17.368 -6.744 1.00 0.00 H new ATOM 0 HG12 VAL A 7 3.993 -17.436 -8.298 1.00 0.00 H new ATOM 0 HG13 VAL A 7 5.698 -17.938 -8.206 1.00 0.00 H new ATOM 0 HG21 VAL A 7 6.561 -15.645 -6.332 1.00 0.00 H new ATOM 0 HG22 VAL A 7 7.481 -16.158 -7.767 1.00 0.00 H new ATOM 0 HG23 VAL A 7 6.971 -14.462 -7.596 1.00 0.00 H new ATOM 107 N ARG A 8 7.170 -14.088 -10.568 1.00 0.00 N ATOM 108 CA ARG A 8 7.766 -12.828 -10.889 1.00 0.00 C ATOM 109 C ARG A 8 7.188 -12.222 -12.164 1.00 0.00 C ATOM 110 O ARG A 8 6.517 -12.902 -12.942 1.00 0.00 O ATOM 111 CB ARG A 8 9.262 -13.036 -11.040 1.00 0.00 C ATOM 112 CG ARG A 8 9.998 -13.117 -9.719 1.00 0.00 C ATOM 113 CD ARG A 8 11.388 -13.694 -9.904 1.00 0.00 C ATOM 114 NE ARG A 8 12.194 -13.586 -8.690 1.00 0.00 N ATOM 115 CZ ARG A 8 13.174 -14.432 -8.368 1.00 0.00 C ATOM 116 NH1 ARG A 8 13.474 -15.448 -9.167 1.00 0.00 N ATOM 117 NH2 ARG A 8 13.854 -14.259 -7.243 1.00 0.00 N ATOM 0 H ARG A 8 7.728 -14.891 -10.858 1.00 0.00 H new ATOM 0 HA ARG A 8 7.551 -12.125 -10.084 1.00 0.00 H new ATOM 0 HB2 ARG A 8 9.438 -13.953 -11.602 1.00 0.00 H new ATOM 0 HB3 ARG A 8 9.677 -12.217 -11.628 1.00 0.00 H new ATOM 0 HG2 ARG A 8 10.069 -12.123 -9.277 1.00 0.00 H new ATOM 0 HG3 ARG A 8 9.433 -13.736 -9.022 1.00 0.00 H new ATOM 0 HD2 ARG A 8 11.309 -14.742 -10.194 1.00 0.00 H new ATOM 0 HD3 ARG A 8 11.890 -13.174 -10.720 1.00 0.00 H new ATOM 0 HE ARG A 8 11.995 -12.817 -8.050 1.00 0.00 H new ATOM 0 HH11 ARG A 8 12.954 -15.586 -10.034 1.00 0.00 H new ATOM 0 HH12 ARG A 8 14.225 -16.091 -8.915 1.00 0.00 H new ATOM 0 HH21 ARG A 8 13.628 -13.480 -6.625 1.00 0.00 H new ATOM 0 HH22 ARG A 8 14.603 -14.905 -6.996 1.00 0.00 H new ATOM 131 N THR A 9 7.460 -10.938 -12.365 1.00 0.00 N ATOM 132 CA THR A 9 6.998 -10.217 -13.514 1.00 0.00 C ATOM 133 C THR A 9 7.763 -10.640 -14.768 1.00 0.00 C ATOM 134 O THR A 9 8.870 -11.171 -14.674 1.00 0.00 O ATOM 135 CB THR A 9 7.134 -8.696 -13.318 1.00 0.00 C ATOM 136 OG1 THR A 9 8.513 -8.357 -13.125 1.00 0.00 O ATOM 137 CG2 THR A 9 6.348 -8.243 -12.097 1.00 0.00 C ATOM 0 H THR A 9 8.014 -10.375 -11.720 1.00 0.00 H new ATOM 0 HA THR A 9 5.942 -10.458 -13.640 1.00 0.00 H new ATOM 0 HB THR A 9 6.743 -8.199 -14.206 1.00 0.00 H new ATOM 0 HG1 THR A 9 8.598 -7.388 -13.002 1.00 0.00 H new ATOM 0 HG21 THR A 9 6.456 -7.165 -11.974 1.00 0.00 H new ATOM 0 HG22 THR A 9 5.295 -8.489 -12.230 1.00 0.00 H new ATOM 0 HG23 THR A 9 6.730 -8.749 -11.210 1.00 0.00 H new ATOM 145 N CYS A 10 7.177 -10.400 -15.937 1.00 0.00 N ATOM 146 CA CYS A 10 7.824 -10.761 -17.194 1.00 0.00 C ATOM 147 C CYS A 10 8.915 -9.748 -17.559 1.00 0.00 C ATOM 148 O CYS A 10 10.088 -9.952 -17.246 1.00 0.00 O ATOM 149 CB CYS A 10 6.786 -10.866 -18.316 1.00 0.00 C ATOM 150 SG CYS A 10 5.642 -12.271 -18.133 1.00 0.00 S ATOM 0 H CYS A 10 6.262 -9.961 -16.040 1.00 0.00 H new ATOM 0 HA CYS A 10 8.298 -11.734 -17.068 1.00 0.00 H new ATOM 0 HB2 CYS A 10 6.209 -9.942 -18.351 1.00 0.00 H new ATOM 0 HB3 CYS A 10 7.305 -10.954 -19.271 1.00 0.00 H new ATOM 155 N LEU A 11 8.525 -8.655 -18.212 1.00 0.00 N ATOM 156 CA LEU A 11 9.474 -7.615 -18.603 1.00 0.00 C ATOM 157 C LEU A 11 9.295 -6.379 -17.721 1.00 0.00 C ATOM 158 O LEU A 11 8.469 -5.514 -18.018 1.00 0.00 O ATOM 159 CB LEU A 11 9.278 -7.242 -20.075 1.00 0.00 C ATOM 160 CG LEU A 11 10.234 -7.934 -21.049 1.00 0.00 C ATOM 161 CD1 LEU A 11 9.860 -9.399 -21.214 1.00 0.00 C ATOM 162 CD2 LEU A 11 10.225 -7.225 -22.396 1.00 0.00 C ATOM 0 H LEU A 11 7.559 -8.467 -18.481 1.00 0.00 H new ATOM 0 HA LEU A 11 10.485 -8.000 -18.471 1.00 0.00 H new ATOM 0 HB2 LEU A 11 8.254 -7.482 -20.362 1.00 0.00 H new ATOM 0 HB3 LEU A 11 9.394 -6.163 -20.180 1.00 0.00 H new ATOM 0 HG LEU A 11 11.242 -7.882 -20.638 1.00 0.00 H new ATOM 0 HD11 LEU A 11 10.551 -9.875 -21.910 1.00 0.00 H new ATOM 0 HD12 LEU A 11 9.916 -9.900 -20.248 1.00 0.00 H new ATOM 0 HD13 LEU A 11 8.844 -9.474 -21.603 1.00 0.00 H new ATOM 0 HD21 LEU A 11 10.910 -7.730 -23.077 1.00 0.00 H new ATOM 0 HD22 LEU A 11 9.218 -7.247 -22.812 1.00 0.00 H new ATOM 0 HD23 LEU A 11 10.541 -6.190 -22.265 1.00 0.00 H new ATOM 174 N PRO A 12 10.048 -6.288 -16.603 1.00 0.00 N ATOM 175 CA PRO A 12 9.929 -5.162 -15.682 1.00 0.00 C ATOM 176 C PRO A 12 10.104 -3.797 -16.334 1.00 0.00 C ATOM 177 O PRO A 12 10.458 -3.676 -17.503 1.00 0.00 O ATOM 178 CB PRO A 12 11.046 -5.369 -14.660 1.00 0.00 C ATOM 179 CG PRO A 12 11.476 -6.785 -14.781 1.00 0.00 C ATOM 180 CD PRO A 12 11.038 -7.283 -16.139 1.00 0.00 C ATOM 0 HA PRO A 12 8.924 -5.151 -15.259 1.00 0.00 H new ATOM 0 HB2 PRO A 12 11.879 -4.693 -14.855 1.00 0.00 H new ATOM 0 HB3 PRO A 12 10.692 -5.157 -13.651 1.00 0.00 H new ATOM 0 HG2 PRO A 12 12.558 -6.867 -14.674 1.00 0.00 H new ATOM 0 HG3 PRO A 12 11.031 -7.389 -13.990 1.00 0.00 H new ATOM 0 HD2 PRO A 12 11.881 -7.352 -16.826 1.00 0.00 H new ATOM 0 HD3 PRO A 12 10.598 -8.278 -16.073 1.00 0.00 H new ATOM 188 N CYS A 13 9.855 -2.778 -15.522 1.00 0.00 N ATOM 189 CA CYS A 13 9.962 -1.400 -15.907 1.00 0.00 C ATOM 190 C CYS A 13 10.336 -0.563 -14.691 1.00 0.00 C ATOM 191 O CYS A 13 10.897 -1.067 -13.718 1.00 0.00 O ATOM 192 CB CYS A 13 8.646 -0.928 -16.545 1.00 0.00 C ATOM 193 SG CYS A 13 8.760 0.678 -17.400 1.00 0.00 S ATOM 0 H CYS A 13 9.566 -2.904 -14.552 1.00 0.00 H new ATOM 0 HA CYS A 13 10.747 -1.281 -16.654 1.00 0.00 H new ATOM 0 HB2 CYS A 13 8.310 -1.682 -17.257 1.00 0.00 H new ATOM 0 HB3 CYS A 13 7.884 -0.860 -15.769 1.00 0.00 H new ATOM 198 N GLY A 14 9.988 0.702 -14.748 1.00 0.00 N ATOM 199 CA GLY A 14 10.259 1.600 -13.646 1.00 0.00 C ATOM 200 C GLY A 14 11.718 1.605 -13.246 1.00 0.00 C ATOM 201 O GLY A 14 12.605 1.439 -14.085 1.00 0.00 O ATOM 0 H GLY A 14 9.517 1.133 -15.544 1.00 0.00 H new ATOM 0 HA2 GLY A 14 9.958 2.610 -13.923 1.00 0.00 H new ATOM 0 HA3 GLY A 14 9.652 1.311 -12.788 1.00 0.00 H new ATOM 205 N PRO A 15 11.989 1.808 -11.957 1.00 0.00 N ATOM 206 CA PRO A 15 13.340 1.855 -11.419 1.00 0.00 C ATOM 207 C PRO A 15 13.899 0.459 -11.124 1.00 0.00 C ATOM 208 O PRO A 15 14.067 0.071 -9.969 1.00 0.00 O ATOM 209 CB PRO A 15 13.108 2.656 -10.140 1.00 0.00 C ATOM 210 CG PRO A 15 11.799 2.164 -9.663 1.00 0.00 C ATOM 211 CD PRO A 15 10.978 2.040 -10.911 1.00 0.00 C ATOM 0 HA PRO A 15 14.076 2.286 -12.098 1.00 0.00 H new ATOM 0 HB2 PRO A 15 13.895 2.480 -9.407 1.00 0.00 H new ATOM 0 HB3 PRO A 15 13.088 3.728 -10.335 1.00 0.00 H new ATOM 0 HG2 PRO A 15 11.895 1.206 -9.152 1.00 0.00 H new ATOM 0 HG3 PRO A 15 11.346 2.858 -8.955 1.00 0.00 H new ATOM 0 HD2 PRO A 15 10.269 1.215 -10.846 1.00 0.00 H new ATOM 0 HD3 PRO A 15 10.399 2.943 -11.104 1.00 0.00 H new ATOM 219 N GLY A 16 14.193 -0.289 -12.193 1.00 0.00 N ATOM 220 CA GLY A 16 14.734 -1.637 -12.051 1.00 0.00 C ATOM 221 C GLY A 16 13.762 -2.702 -12.542 1.00 0.00 C ATOM 222 O GLY A 16 14.016 -3.376 -13.537 1.00 0.00 O ATOM 0 H GLY A 16 14.065 0.017 -13.158 1.00 0.00 H new ATOM 0 HA2 GLY A 16 15.667 -1.713 -12.610 1.00 0.00 H new ATOM 0 HA3 GLY A 16 14.974 -1.822 -11.004 1.00 0.00 H new ATOM 226 N GLY A 17 12.633 -2.809 -11.853 1.00 0.00 N ATOM 227 CA GLY A 17 11.601 -3.742 -12.201 1.00 0.00 C ATOM 228 C GLY A 17 10.370 -3.545 -11.359 1.00 0.00 C ATOM 229 O GLY A 17 9.631 -4.482 -11.043 1.00 0.00 O ATOM 0 H GLY A 17 12.419 -2.241 -11.033 1.00 0.00 H new ATOM 0 HA2 GLY A 17 11.345 -3.626 -13.254 1.00 0.00 H new ATOM 0 HA3 GLY A 17 11.971 -4.759 -12.073 1.00 0.00 H new ATOM 233 N LYS A 18 10.164 -2.294 -11.032 1.00 0.00 N ATOM 234 CA LYS A 18 9.046 -1.835 -10.247 1.00 0.00 C ATOM 235 C LYS A 18 7.749 -1.973 -10.994 1.00 0.00 C ATOM 236 O LYS A 18 6.662 -2.073 -10.425 1.00 0.00 O ATOM 237 CB LYS A 18 9.260 -0.369 -9.977 1.00 0.00 C ATOM 238 CG LYS A 18 9.671 -0.032 -8.588 1.00 0.00 C ATOM 239 CD LYS A 18 10.586 -1.072 -8.019 1.00 0.00 C ATOM 240 CE LYS A 18 10.983 -0.761 -6.610 1.00 0.00 C ATOM 241 NZ LYS A 18 12.312 -1.332 -6.259 1.00 0.00 N ATOM 0 H LYS A 18 10.792 -1.541 -11.315 1.00 0.00 H new ATOM 0 HA LYS A 18 8.988 -2.430 -9.336 1.00 0.00 H new ATOM 0 HB2 LYS A 18 10.020 0.003 -10.664 1.00 0.00 H new ATOM 0 HB3 LYS A 18 8.337 0.164 -10.205 1.00 0.00 H new ATOM 0 HG2 LYS A 18 10.170 0.937 -8.580 1.00 0.00 H new ATOM 0 HG3 LYS A 18 8.786 0.060 -7.958 1.00 0.00 H new ATOM 0 HD2 LYS A 18 10.094 -2.044 -8.051 1.00 0.00 H new ATOM 0 HD3 LYS A 18 11.479 -1.147 -8.639 1.00 0.00 H new ATOM 0 HE2 LYS A 18 11.006 0.320 -6.472 1.00 0.00 H new ATOM 0 HE3 LYS A 18 10.229 -1.154 -5.927 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 12.544 -1.091 -5.274 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 12.284 -2.366 -6.365 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 13.037 -0.938 -6.892 1.00 0.00 H new ATOM 255 N GLY A 19 7.902 -1.992 -12.287 1.00 0.00 N ATOM 256 CA GLY A 19 6.817 -2.143 -13.199 1.00 0.00 C ATOM 257 C GLY A 19 7.187 -3.015 -14.368 1.00 0.00 C ATOM 258 O GLY A 19 8.009 -3.920 -14.256 1.00 0.00 O ATOM 0 H GLY A 19 8.810 -1.900 -12.743 1.00 0.00 H new ATOM 0 HA2 GLY A 19 5.962 -2.576 -12.679 1.00 0.00 H new ATOM 0 HA3 GLY A 19 6.507 -1.163 -13.561 1.00 0.00 H new ATOM 262 N ARG A 20 6.548 -2.728 -15.477 1.00 0.00 N ATOM 263 CA ARG A 20 6.753 -3.453 -16.709 1.00 0.00 C ATOM 264 C ARG A 20 6.160 -2.685 -17.898 1.00 0.00 C ATOM 265 O ARG A 20 5.633 -1.589 -17.726 1.00 0.00 O ATOM 266 CB ARG A 20 6.115 -4.814 -16.570 1.00 0.00 C ATOM 267 CG ARG A 20 4.626 -4.725 -16.389 1.00 0.00 C ATOM 268 CD ARG A 20 3.921 -5.862 -17.076 1.00 0.00 C ATOM 269 NE ARG A 20 3.052 -6.606 -16.165 1.00 0.00 N ATOM 270 CZ ARG A 20 3.451 -7.096 -14.990 1.00 0.00 C ATOM 271 NH1 ARG A 20 4.708 -6.950 -14.595 1.00 0.00 N ATOM 272 NH2 ARG A 20 2.588 -7.733 -14.210 1.00 0.00 N ATOM 0 H ARG A 20 5.863 -1.976 -15.550 1.00 0.00 H new ATOM 0 HA ARG A 20 7.820 -3.566 -16.900 1.00 0.00 H new ATOM 0 HB2 ARG A 20 6.337 -5.410 -17.455 1.00 0.00 H new ATOM 0 HB3 ARG A 20 6.553 -5.334 -15.718 1.00 0.00 H new ATOM 0 HG2 ARG A 20 4.386 -4.735 -15.326 1.00 0.00 H new ATOM 0 HG3 ARG A 20 4.265 -3.777 -16.788 1.00 0.00 H new ATOM 0 HD2 ARG A 20 3.328 -5.472 -17.903 1.00 0.00 H new ATOM 0 HD3 ARG A 20 4.660 -6.539 -17.504 1.00 0.00 H new ATOM 0 HE ARG A 20 2.083 -6.759 -16.445 1.00 0.00 H new ATOM 0 HH11 ARG A 20 5.376 -6.461 -15.191 1.00 0.00 H new ATOM 0 HH12 ARG A 20 5.007 -7.327 -13.696 1.00 0.00 H new ATOM 0 HH21 ARG A 20 1.619 -7.848 -14.509 1.00 0.00 H new ATOM 0 HH22 ARG A 20 2.893 -8.108 -13.312 1.00 0.00 H new ATOM 286 N CYS A 21 6.248 -3.271 -19.085 1.00 0.00 N ATOM 287 CA CYS A 21 5.720 -2.663 -20.303 1.00 0.00 C ATOM 288 C CYS A 21 4.473 -3.412 -20.746 1.00 0.00 C ATOM 289 O CYS A 21 4.503 -4.641 -20.832 1.00 0.00 O ATOM 290 CB CYS A 21 6.758 -2.765 -21.401 1.00 0.00 C ATOM 291 SG CYS A 21 7.665 -1.229 -21.726 1.00 0.00 S ATOM 0 H CYS A 21 6.687 -4.180 -19.232 1.00 0.00 H new ATOM 0 HA CYS A 21 5.477 -1.618 -20.108 1.00 0.00 H new ATOM 0 HB2 CYS A 21 7.472 -3.545 -21.136 1.00 0.00 H new ATOM 0 HB3 CYS A 21 6.266 -3.082 -22.320 1.00 0.00 H new ATOM 296 N PHE A 22 3.359 -2.715 -20.983 1.00 0.00 N ATOM 297 CA PHE A 22 2.124 -3.397 -21.357 1.00 0.00 C ATOM 298 C PHE A 22 1.863 -3.432 -22.857 1.00 0.00 C ATOM 299 O PHE A 22 0.876 -4.033 -23.290 1.00 0.00 O ATOM 300 CB PHE A 22 0.958 -2.726 -20.638 1.00 0.00 C ATOM 301 CG PHE A 22 0.911 -3.045 -19.161 1.00 0.00 C ATOM 302 CD1 PHE A 22 2.084 -3.129 -18.418 1.00 0.00 C ATOM 303 CD2 PHE A 22 -0.298 -3.260 -18.523 1.00 0.00 C ATOM 304 CE1 PHE A 22 2.042 -3.425 -17.072 1.00 0.00 C ATOM 305 CE2 PHE A 22 -0.344 -3.554 -17.178 1.00 0.00 C ATOM 306 CZ PHE A 22 0.828 -3.638 -16.452 1.00 0.00 C ATOM 0 H PHE A 22 3.289 -1.699 -20.924 1.00 0.00 H new ATOM 0 HA PHE A 22 2.230 -4.439 -21.054 1.00 0.00 H new ATOM 0 HB2 PHE A 22 1.031 -1.646 -20.769 1.00 0.00 H new ATOM 0 HB3 PHE A 22 0.023 -3.041 -21.102 1.00 0.00 H new ATOM 0 HD1 PHE A 22 3.036 -2.961 -18.900 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -1.217 -3.196 -19.087 1.00 0.00 H new ATOM 0 HE1 PHE A 22 2.958 -3.490 -16.504 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -1.294 -3.718 -16.692 1.00 0.00 H new ATOM 0 HZ PHE A 22 0.794 -3.871 -15.398 1.00 0.00 H new ATOM 316 N GLY A 23 2.758 -2.862 -23.654 1.00 0.00 N ATOM 317 CA GLY A 23 2.556 -2.942 -25.096 1.00 0.00 C ATOM 318 C GLY A 23 2.983 -1.736 -25.921 1.00 0.00 C ATOM 319 O GLY A 23 3.992 -1.809 -26.629 1.00 0.00 O ATOM 0 H GLY A 23 3.593 -2.362 -23.348 1.00 0.00 H new ATOM 0 HA2 GLY A 23 3.096 -3.814 -25.466 1.00 0.00 H new ATOM 0 HA3 GLY A 23 1.497 -3.121 -25.280 1.00 0.00 H new ATOM 323 N PRO A 24 2.227 -0.624 -25.911 1.00 0.00 N ATOM 324 CA PRO A 24 2.541 0.533 -26.729 1.00 0.00 C ATOM 325 C PRO A 24 3.336 1.591 -25.994 1.00 0.00 C ATOM 326 O PRO A 24 2.775 2.551 -25.472 1.00 0.00 O ATOM 327 CB PRO A 24 1.146 1.042 -27.082 1.00 0.00 C ATOM 328 CG PRO A 24 0.311 0.743 -25.880 1.00 0.00 C ATOM 329 CD PRO A 24 0.970 -0.407 -25.151 1.00 0.00 C ATOM 0 HA PRO A 24 3.173 0.288 -27.583 1.00 0.00 H new ATOM 0 HB2 PRO A 24 1.158 2.110 -27.298 1.00 0.00 H new ATOM 0 HB3 PRO A 24 0.756 0.542 -27.968 1.00 0.00 H new ATOM 0 HG2 PRO A 24 0.240 1.618 -25.234 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -0.705 0.480 -26.173 1.00 0.00 H new ATOM 0 HD2 PRO A 24 1.169 -0.160 -24.108 1.00 0.00 H new ATOM 0 HD3 PRO A 24 0.341 -1.297 -25.153 1.00 0.00 H new ATOM 337 N SER A 25 4.658 1.406 -25.935 1.00 0.00 N ATOM 338 CA SER A 25 5.521 2.355 -25.235 1.00 0.00 C ATOM 339 C SER A 25 5.016 2.573 -23.819 1.00 0.00 C ATOM 340 O SER A 25 5.267 3.610 -23.218 1.00 0.00 O ATOM 341 CB SER A 25 5.521 3.699 -25.964 1.00 0.00 C ATOM 342 OG SER A 25 6.783 4.336 -25.868 1.00 0.00 O ATOM 0 H SER A 25 5.147 0.617 -26.359 1.00 0.00 H new ATOM 0 HA SER A 25 6.531 1.947 -25.209 1.00 0.00 H new ATOM 0 HB2 SER A 25 5.267 3.546 -27.013 1.00 0.00 H new ATOM 0 HB3 SER A 25 4.752 4.345 -25.541 1.00 0.00 H new ATOM 0 HG SER A 25 6.754 5.192 -26.344 1.00 0.00 H new ATOM 348 N ILE A 26 4.246 1.617 -23.321 1.00 0.00 N ATOM 349 CA ILE A 26 3.643 1.747 -22.016 1.00 0.00 C ATOM 350 C ILE A 26 4.364 0.972 -20.931 1.00 0.00 C ATOM 351 O ILE A 26 5.120 0.040 -21.189 1.00 0.00 O ATOM 352 CB ILE A 26 2.164 1.325 -22.059 1.00 0.00 C ATOM 353 CG1 ILE A 26 1.368 2.197 -21.125 1.00 0.00 C ATOM 354 CG2 ILE A 26 1.967 -0.133 -21.680 1.00 0.00 C ATOM 355 CD1 ILE A 26 -0.067 2.319 -21.588 1.00 0.00 C ATOM 0 H ILE A 26 4.028 0.746 -23.805 1.00 0.00 H new ATOM 0 HA ILE A 26 3.725 2.802 -21.755 1.00 0.00 H new ATOM 0 HB ILE A 26 1.818 1.446 -23.085 1.00 0.00 H new ATOM 0 HG12 ILE A 26 1.395 1.778 -20.119 1.00 0.00 H new ATOM 0 HG13 ILE A 26 1.822 3.187 -21.070 1.00 0.00 H new ATOM 0 HG21 ILE A 26 0.907 -0.381 -21.726 1.00 0.00 H new ATOM 0 HG22 ILE A 26 2.518 -0.767 -22.374 1.00 0.00 H new ATOM 0 HG23 ILE A 26 2.335 -0.299 -20.667 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -0.620 2.954 -20.896 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -0.092 2.761 -22.584 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -0.525 1.330 -21.618 1.00 0.00 H new ATOM 367 N CYS A 27 4.092 1.381 -19.711 1.00 0.00 N ATOM 368 CA CYS A 27 4.670 0.791 -18.561 1.00 0.00 C ATOM 369 C CYS A 27 3.747 0.940 -17.353 1.00 0.00 C ATOM 370 O CYS A 27 3.064 1.950 -17.195 1.00 0.00 O ATOM 371 CB CYS A 27 5.982 1.481 -18.319 1.00 0.00 C ATOM 372 SG CYS A 27 7.416 0.521 -18.895 1.00 0.00 S ATOM 0 H CYS A 27 3.450 2.147 -19.505 1.00 0.00 H new ATOM 0 HA CYS A 27 4.822 -0.277 -18.714 1.00 0.00 H new ATOM 0 HB2 CYS A 27 5.975 2.448 -18.822 1.00 0.00 H new ATOM 0 HB3 CYS A 27 6.090 1.678 -17.252 1.00 0.00 H new ATOM 377 N CYS A 28 3.722 -0.084 -16.523 1.00 0.00 N ATOM 378 CA CYS A 28 2.897 -0.113 -15.337 1.00 0.00 C ATOM 379 C CYS A 28 3.660 -0.801 -14.223 1.00 0.00 C ATOM 380 O CYS A 28 4.089 -1.944 -14.382 1.00 0.00 O ATOM 381 CB CYS A 28 1.595 -0.863 -15.614 1.00 0.00 C ATOM 382 SG CYS A 28 0.131 -0.167 -14.792 1.00 0.00 S ATOM 0 H CYS A 28 4.281 -0.927 -16.657 1.00 0.00 H new ATOM 0 HA CYS A 28 2.652 0.907 -15.042 1.00 0.00 H new ATOM 0 HB2 CYS A 28 1.420 -0.875 -16.690 1.00 0.00 H new ATOM 0 HB3 CYS A 28 1.714 -1.900 -15.299 1.00 0.00 H new ATOM 387 N GLY A 29 3.843 -0.113 -13.114 1.00 0.00 N ATOM 388 CA GLY A 29 4.545 -0.669 -12.023 1.00 0.00 C ATOM 389 C GLY A 29 3.600 -0.978 -10.876 1.00 0.00 C ATOM 390 O GLY A 29 2.481 -0.460 -10.853 1.00 0.00 O ATOM 0 H GLY A 29 3.505 0.838 -12.964 1.00 0.00 H new ATOM 0 HA2 GLY A 29 5.053 -1.581 -12.338 1.00 0.00 H new ATOM 0 HA3 GLY A 29 5.316 0.026 -11.688 1.00 0.00 H new ATOM 394 N ASP A 30 4.025 -1.800 -9.920 1.00 0.00 N ATOM 395 CA ASP A 30 3.175 -2.129 -8.797 1.00 0.00 C ATOM 396 C ASP A 30 3.057 -0.893 -7.914 1.00 0.00 C ATOM 397 O ASP A 30 2.108 -0.117 -8.040 1.00 0.00 O ATOM 398 CB ASP A 30 3.746 -3.312 -8.011 1.00 0.00 C ATOM 399 CG ASP A 30 2.879 -4.552 -8.115 1.00 0.00 C ATOM 400 OD1 ASP A 30 3.020 -5.293 -9.110 1.00 0.00 O ATOM 401 OD2 ASP A 30 2.058 -4.781 -7.202 1.00 0.00 O ATOM 0 H ASP A 30 4.944 -2.242 -9.906 1.00 0.00 H new ATOM 0 HA ASP A 30 2.188 -2.426 -9.151 1.00 0.00 H new ATOM 0 HB2 ASP A 30 4.746 -3.540 -8.380 1.00 0.00 H new ATOM 0 HB3 ASP A 30 3.849 -3.032 -6.963 1.00 0.00 H new ATOM 406 N GLU A 31 4.062 -0.672 -7.084 1.00 0.00 N ATOM 407 CA GLU A 31 4.123 0.506 -6.248 1.00 0.00 C ATOM 408 C GLU A 31 4.424 1.728 -7.127 1.00 0.00 C ATOM 409 O GLU A 31 4.625 2.842 -6.643 1.00 0.00 O ATOM 410 CB GLU A 31 5.261 0.340 -5.240 1.00 0.00 C ATOM 411 CG GLU A 31 6.628 0.175 -5.903 1.00 0.00 C ATOM 412 CD GLU A 31 7.674 1.104 -5.317 1.00 0.00 C ATOM 413 OE1 GLU A 31 7.781 2.253 -5.795 1.00 0.00 O ATOM 414 OE2 GLU A 31 8.384 0.683 -4.381 1.00 0.00 O ATOM 0 H GLU A 31 4.855 -1.304 -6.974 1.00 0.00 H new ATOM 0 HA GLU A 31 3.174 0.640 -5.729 1.00 0.00 H new ATOM 0 HB2 GLU A 31 5.285 1.208 -4.582 1.00 0.00 H new ATOM 0 HB3 GLU A 31 5.060 -0.529 -4.614 1.00 0.00 H new ATOM 0 HG2 GLU A 31 6.960 -0.857 -5.791 1.00 0.00 H new ATOM 0 HG3 GLU A 31 6.535 0.366 -6.972 1.00 0.00 H new ATOM 421 N LEU A 32 4.545 1.446 -8.414 1.00 0.00 N ATOM 422 CA LEU A 32 4.929 2.389 -9.423 1.00 0.00 C ATOM 423 C LEU A 32 3.768 3.033 -10.167 1.00 0.00 C ATOM 424 O LEU A 32 3.927 4.082 -10.794 1.00 0.00 O ATOM 425 CB LEU A 32 5.766 1.562 -10.361 1.00 0.00 C ATOM 426 CG LEU A 32 7.119 2.068 -10.755 1.00 0.00 C ATOM 427 CD1 LEU A 32 7.456 1.450 -12.078 1.00 0.00 C ATOM 428 CD2 LEU A 32 7.204 3.589 -10.810 1.00 0.00 C ATOM 0 H LEU A 32 4.369 0.513 -8.788 1.00 0.00 H new ATOM 0 HA LEU A 32 5.444 3.241 -8.979 1.00 0.00 H new ATOM 0 HB2 LEU A 32 5.900 0.581 -9.906 1.00 0.00 H new ATOM 0 HB3 LEU A 32 5.190 1.414 -11.274 1.00 0.00 H new ATOM 0 HG LEU A 32 7.843 1.780 -9.993 1.00 0.00 H new ATOM 0 HD11 LEU A 32 8.438 1.795 -12.401 1.00 0.00 H new ATOM 0 HD12 LEU A 32 7.467 0.364 -11.980 1.00 0.00 H new ATOM 0 HD13 LEU A 32 6.709 1.741 -12.816 1.00 0.00 H new ATOM 0 HD21 LEU A 32 8.211 3.887 -11.102 1.00 0.00 H new ATOM 0 HD22 LEU A 32 6.488 3.967 -11.540 1.00 0.00 H new ATOM 0 HD23 LEU A 32 6.974 4.002 -9.828 1.00 0.00 H new ATOM 440 N GLY A 33 2.625 2.399 -10.111 1.00 0.00 N ATOM 441 CA GLY A 33 1.462 2.916 -10.798 1.00 0.00 C ATOM 442 C GLY A 33 1.524 2.643 -12.274 1.00 0.00 C ATOM 443 O GLY A 33 2.186 1.705 -12.700 1.00 0.00 O ATOM 0 H GLY A 33 2.471 1.529 -9.601 1.00 0.00 H new ATOM 0 HA2 GLY A 33 0.562 2.464 -10.381 1.00 0.00 H new ATOM 0 HA3 GLY A 33 1.387 3.990 -10.629 1.00 0.00 H new ATOM 447 N CYS A 34 0.831 3.441 -13.060 1.00 0.00 N ATOM 448 CA CYS A 34 0.824 3.228 -14.504 1.00 0.00 C ATOM 449 C CYS A 34 1.244 4.454 -15.313 1.00 0.00 C ATOM 450 O CYS A 34 0.665 5.535 -15.190 1.00 0.00 O ATOM 451 CB CYS A 34 -0.544 2.760 -14.967 1.00 0.00 C ATOM 452 SG CYS A 34 -0.469 1.302 -16.053 1.00 0.00 S ATOM 0 H CYS A 34 0.273 4.231 -12.737 1.00 0.00 H new ATOM 0 HA CYS A 34 1.572 2.457 -14.690 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -1.155 2.526 -14.096 1.00 0.00 H new ATOM 0 HB3 CYS A 34 -1.040 3.574 -15.495 1.00 0.00 H new ATOM 457 N PHE A 35 2.246 4.247 -16.169 1.00 0.00 N ATOM 458 CA PHE A 35 2.757 5.296 -17.049 1.00 0.00 C ATOM 459 C PHE A 35 2.636 4.886 -18.509 1.00 0.00 C ATOM 460 O PHE A 35 2.424 3.716 -18.825 1.00 0.00 O ATOM 461 CB PHE A 35 4.238 5.586 -16.782 1.00 0.00 C ATOM 462 CG PHE A 35 4.678 5.417 -15.362 1.00 0.00 C ATOM 463 CD1 PHE A 35 4.762 4.156 -14.798 1.00 0.00 C ATOM 464 CD2 PHE A 35 5.032 6.517 -14.603 1.00 0.00 C ATOM 465 CE1 PHE A 35 5.190 3.996 -13.497 1.00 0.00 C ATOM 466 CE2 PHE A 35 5.465 6.364 -13.301 1.00 0.00 C ATOM 467 CZ PHE A 35 5.543 5.101 -12.749 1.00 0.00 C ATOM 0 H PHE A 35 2.723 3.351 -16.271 1.00 0.00 H new ATOM 0 HA PHE A 35 2.159 6.184 -16.845 1.00 0.00 H new ATOM 0 HB2 PHE A 35 4.839 4.930 -17.412 1.00 0.00 H new ATOM 0 HB3 PHE A 35 4.452 6.609 -17.092 1.00 0.00 H new ATOM 0 HD1 PHE A 35 4.490 3.289 -15.382 1.00 0.00 H new ATOM 0 HD2 PHE A 35 4.969 7.506 -15.033 1.00 0.00 H new ATOM 0 HE1 PHE A 35 5.249 3.008 -13.064 1.00 0.00 H new ATOM 0 HE2 PHE A 35 5.742 7.229 -12.717 1.00 0.00 H new ATOM 0 HZ PHE A 35 5.881 4.977 -11.731 1.00 0.00 H new ATOM 477 N VAL A 36 2.839 5.850 -19.396 1.00 0.00 N ATOM 478 CA VAL A 36 2.825 5.584 -20.825 1.00 0.00 C ATOM 479 C VAL A 36 3.910 6.386 -21.503 1.00 0.00 C ATOM 480 O VAL A 36 3.789 7.594 -21.706 1.00 0.00 O ATOM 481 CB VAL A 36 1.484 5.886 -21.511 1.00 0.00 C ATOM 482 CG1 VAL A 36 1.420 5.171 -22.858 1.00 0.00 C ATOM 483 CG2 VAL A 36 0.318 5.483 -20.622 1.00 0.00 C ATOM 0 H VAL A 36 3.015 6.824 -19.150 1.00 0.00 H new ATOM 0 HA VAL A 36 2.995 4.512 -20.928 1.00 0.00 H new ATOM 0 HB VAL A 36 1.410 6.960 -21.683 1.00 0.00 H new ATOM 0 HG11 VAL A 36 0.467 5.388 -23.340 1.00 0.00 H new ATOM 0 HG12 VAL A 36 2.235 5.517 -23.493 1.00 0.00 H new ATOM 0 HG13 VAL A 36 1.512 4.096 -22.704 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -0.621 5.707 -21.129 1.00 0.00 H new ATOM 0 HG22 VAL A 36 0.372 4.415 -20.413 1.00 0.00 H new ATOM 0 HG23 VAL A 36 0.366 6.039 -19.685 1.00 0.00 H new ATOM 493 N GLY A 37 4.970 5.691 -21.844 1.00 0.00 N ATOM 494 CA GLY A 37 6.099 6.324 -22.503 1.00 0.00 C ATOM 495 C GLY A 37 6.828 7.316 -21.609 1.00 0.00 C ATOM 496 O GLY A 37 7.805 7.933 -22.032 1.00 0.00 O ATOM 0 H GLY A 37 5.079 4.690 -21.679 1.00 0.00 H new ATOM 0 HA2 GLY A 37 6.799 5.556 -22.831 1.00 0.00 H new ATOM 0 HA3 GLY A 37 5.749 6.839 -23.398 1.00 0.00 H new ATOM 500 N THR A 38 6.355 7.472 -20.372 1.00 0.00 N ATOM 501 CA THR A 38 6.980 8.396 -19.423 1.00 0.00 C ATOM 502 C THR A 38 8.446 8.043 -19.205 1.00 0.00 C ATOM 503 O THR A 38 8.971 7.119 -19.827 1.00 0.00 O ATOM 504 CB THR A 38 6.257 8.352 -18.073 1.00 0.00 C ATOM 505 OG1 THR A 38 6.432 7.090 -17.455 1.00 0.00 O ATOM 506 CG2 THR A 38 4.769 8.610 -18.165 1.00 0.00 C ATOM 0 H THR A 38 5.545 6.973 -20.004 1.00 0.00 H new ATOM 0 HA THR A 38 6.909 9.398 -19.846 1.00 0.00 H new ATOM 0 HB THR A 38 6.707 9.154 -17.487 1.00 0.00 H new ATOM 0 HG1 THR A 38 6.731 7.217 -16.530 1.00 0.00 H new ATOM 0 HG21 THR A 38 4.329 8.562 -17.169 1.00 0.00 H new ATOM 0 HG22 THR A 38 4.597 9.599 -18.590 1.00 0.00 H new ATOM 0 HG23 THR A 38 4.308 7.855 -18.802 1.00 0.00 H new ATOM 514 N ALA A 39 9.099 8.764 -18.295 1.00 0.00 N ATOM 515 CA ALA A 39 10.497 8.498 -17.978 1.00 0.00 C ATOM 516 C ALA A 39 10.628 7.096 -17.409 1.00 0.00 C ATOM 517 O ALA A 39 11.420 6.299 -17.883 1.00 0.00 O ATOM 518 CB ALA A 39 11.030 9.530 -16.996 1.00 0.00 C ATOM 0 H ALA A 39 8.683 9.532 -17.768 1.00 0.00 H new ATOM 0 HA ALA A 39 11.090 8.569 -18.890 1.00 0.00 H new ATOM 0 HB1 ALA A 39 12.075 9.314 -16.772 1.00 0.00 H new ATOM 0 HB2 ALA A 39 10.951 10.525 -17.435 1.00 0.00 H new ATOM 0 HB3 ALA A 39 10.447 9.492 -16.076 1.00 0.00 H new ATOM 524 N GLU A 40 9.832 6.803 -16.395 1.00 0.00 N ATOM 525 CA GLU A 40 9.836 5.489 -15.772 1.00 0.00 C ATOM 526 C GLU A 40 9.151 4.453 -16.672 1.00 0.00 C ATOM 527 O GLU A 40 8.862 3.341 -16.234 1.00 0.00 O ATOM 528 CB GLU A 40 9.132 5.553 -14.424 1.00 0.00 C ATOM 529 CG GLU A 40 10.080 5.499 -13.236 1.00 0.00 C ATOM 530 CD GLU A 40 10.791 6.817 -12.994 1.00 0.00 C ATOM 531 OE1 GLU A 40 10.203 7.695 -12.330 1.00 0.00 O ATOM 532 OE2 GLU A 40 11.935 6.968 -13.471 1.00 0.00 O ATOM 0 H GLU A 40 9.171 7.461 -15.983 1.00 0.00 H new ATOM 0 HA GLU A 40 10.872 5.182 -15.625 1.00 0.00 H new ATOM 0 HB2 GLU A 40 8.550 6.473 -14.371 1.00 0.00 H new ATOM 0 HB3 GLU A 40 8.427 4.725 -14.353 1.00 0.00 H new ATOM 0 HG2 GLU A 40 9.520 5.223 -12.342 1.00 0.00 H new ATOM 0 HG3 GLU A 40 10.820 4.717 -13.403 1.00 0.00 H new ATOM 539 N ALA A 41 8.845 4.848 -17.912 1.00 0.00 N ATOM 540 CA ALA A 41 8.140 3.973 -18.855 1.00 0.00 C ATOM 541 C ALA A 41 8.883 3.790 -20.177 1.00 0.00 C ATOM 542 O ALA A 41 8.475 2.999 -21.030 1.00 0.00 O ATOM 543 CB ALA A 41 6.794 4.573 -19.150 1.00 0.00 C ATOM 0 H ALA A 41 9.075 5.769 -18.286 1.00 0.00 H new ATOM 0 HA ALA A 41 8.060 2.992 -18.386 1.00 0.00 H new ATOM 0 HB1 ALA A 41 6.256 3.934 -19.850 1.00 0.00 H new ATOM 0 HB2 ALA A 41 6.223 4.659 -18.225 1.00 0.00 H new ATOM 0 HB3 ALA A 41 6.925 5.562 -19.588 1.00 0.00 H new ATOM 549 N LEU A 42 9.996 4.475 -20.326 1.00 0.00 N ATOM 550 CA LEU A 42 10.818 4.361 -21.512 1.00 0.00 C ATOM 551 C LEU A 42 11.361 2.942 -21.679 1.00 0.00 C ATOM 552 O LEU A 42 11.912 2.589 -22.723 1.00 0.00 O ATOM 553 CB LEU A 42 11.987 5.351 -21.425 1.00 0.00 C ATOM 554 CG LEU A 42 12.753 5.405 -20.078 1.00 0.00 C ATOM 555 CD1 LEU A 42 12.429 4.210 -19.177 1.00 0.00 C ATOM 556 CD2 LEU A 42 14.252 5.485 -20.330 1.00 0.00 C ATOM 0 H LEU A 42 10.357 5.126 -19.629 1.00 0.00 H new ATOM 0 HA LEU A 42 10.198 4.592 -22.378 1.00 0.00 H new ATOM 0 HB2 LEU A 42 12.700 5.106 -22.213 1.00 0.00 H new ATOM 0 HB3 LEU A 42 11.605 6.349 -21.640 1.00 0.00 H new ATOM 0 HG LEU A 42 12.425 6.302 -19.553 1.00 0.00 H new ATOM 0 HD11 LEU A 42 12.990 4.294 -18.246 1.00 0.00 H new ATOM 0 HD12 LEU A 42 11.361 4.199 -18.958 1.00 0.00 H new ATOM 0 HD13 LEU A 42 12.705 3.286 -19.685 1.00 0.00 H new ATOM 0 HD21 LEU A 42 14.780 5.522 -19.377 1.00 0.00 H new ATOM 0 HD22 LEU A 42 14.574 4.607 -20.889 1.00 0.00 H new ATOM 0 HD23 LEU A 42 14.477 6.383 -20.905 1.00 0.00 H new ATOM 568 N ARG A 43 11.217 2.140 -20.626 1.00 0.00 N ATOM 569 CA ARG A 43 11.701 0.764 -20.604 1.00 0.00 C ATOM 570 C ARG A 43 11.290 -0.032 -21.835 1.00 0.00 C ATOM 571 O ARG A 43 11.845 -1.096 -22.104 1.00 0.00 O ATOM 572 CB ARG A 43 11.168 0.061 -19.378 1.00 0.00 C ATOM 573 CG ARG A 43 12.253 -0.482 -18.461 1.00 0.00 C ATOM 574 CD ARG A 43 13.227 0.608 -18.038 1.00 0.00 C ATOM 575 NE ARG A 43 13.831 0.327 -16.736 1.00 0.00 N ATOM 576 CZ ARG A 43 14.841 -0.523 -16.551 1.00 0.00 C ATOM 577 NH1 ARG A 43 15.364 -1.179 -17.579 1.00 0.00 N ATOM 578 NH2 ARG A 43 15.328 -0.716 -15.333 1.00 0.00 N ATOM 0 H ARG A 43 10.759 2.429 -19.761 1.00 0.00 H new ATOM 0 HA ARG A 43 12.790 0.815 -20.590 1.00 0.00 H new ATOM 0 HB2 ARG A 43 10.544 0.755 -18.815 1.00 0.00 H new ATOM 0 HB3 ARG A 43 10.526 -0.762 -19.693 1.00 0.00 H new ATOM 0 HG2 ARG A 43 11.795 -0.924 -17.576 1.00 0.00 H new ATOM 0 HG3 ARG A 43 12.796 -1.278 -18.971 1.00 0.00 H new ATOM 0 HD2 ARG A 43 14.012 0.704 -18.789 1.00 0.00 H new ATOM 0 HD3 ARG A 43 12.706 1.564 -17.997 1.00 0.00 H new ATOM 0 HE ARG A 43 13.457 0.811 -15.920 1.00 0.00 H new ATOM 0 HH11 ARG A 43 14.993 -1.034 -18.518 1.00 0.00 H new ATOM 0 HH12 ARG A 43 16.137 -1.828 -17.430 1.00 0.00 H new ATOM 0 HH21 ARG A 43 14.930 -0.214 -14.539 1.00 0.00 H new ATOM 0 HH22 ARG A 43 16.101 -1.366 -15.190 1.00 0.00 H new ATOM 592 N CYS A 44 10.310 0.469 -22.568 1.00 0.00 N ATOM 593 CA CYS A 44 9.834 -0.231 -23.748 1.00 0.00 C ATOM 594 C CYS A 44 10.859 -0.201 -24.865 1.00 0.00 C ATOM 595 O CYS A 44 10.740 -0.933 -25.845 1.00 0.00 O ATOM 596 CB CYS A 44 8.496 0.314 -24.191 1.00 0.00 C ATOM 597 SG CYS A 44 7.090 -0.683 -23.602 1.00 0.00 S ATOM 0 H CYS A 44 9.833 1.348 -22.370 1.00 0.00 H new ATOM 0 HA CYS A 44 9.690 -1.279 -23.484 1.00 0.00 H new ATOM 0 HB2 CYS A 44 8.388 1.336 -23.827 1.00 0.00 H new ATOM 0 HB3 CYS A 44 8.471 0.359 -25.280 1.00 0.00 H new ATOM 602 N GLN A 45 11.902 0.603 -24.687 1.00 0.00 N ATOM 603 CA GLN A 45 12.974 0.663 -25.645 1.00 0.00 C ATOM 604 C GLN A 45 13.647 -0.714 -25.708 1.00 0.00 C ATOM 605 O GLN A 45 14.317 -1.074 -26.674 1.00 0.00 O ATOM 606 CB GLN A 45 13.977 1.722 -25.223 1.00 0.00 C ATOM 607 CG GLN A 45 13.906 3.000 -26.043 1.00 0.00 C ATOM 608 CD GLN A 45 14.667 4.147 -25.403 1.00 0.00 C ATOM 609 OE1 GLN A 45 15.577 4.715 -26.004 1.00 0.00 O ATOM 610 NE2 GLN A 45 14.292 4.492 -24.176 1.00 0.00 N ATOM 0 H GLN A 45 12.018 1.219 -23.883 1.00 0.00 H new ATOM 0 HA GLN A 45 12.588 0.927 -26.629 1.00 0.00 H new ATOM 0 HB2 GLN A 45 13.813 1.966 -24.173 1.00 0.00 H new ATOM 0 HB3 GLN A 45 14.982 1.308 -25.301 1.00 0.00 H new ATOM 0 HG2 GLN A 45 14.309 2.812 -27.038 1.00 0.00 H new ATOM 0 HG3 GLN A 45 12.862 3.288 -26.171 1.00 0.00 H new ATOM 0 HE21 GLN A 45 13.531 3.992 -23.716 1.00 0.00 H new ATOM 0 HE22 GLN A 45 14.765 5.257 -23.694 1.00 0.00 H new ATOM 619 N GLU A 46 13.388 -1.473 -24.650 1.00 0.00 N ATOM 620 CA GLU A 46 13.861 -2.816 -24.490 1.00 0.00 C ATOM 621 C GLU A 46 12.986 -3.758 -25.306 1.00 0.00 C ATOM 622 O GLU A 46 13.400 -4.856 -25.681 1.00 0.00 O ATOM 623 CB GLU A 46 13.768 -3.154 -23.016 1.00 0.00 C ATOM 624 CG GLU A 46 14.932 -2.623 -22.204 1.00 0.00 C ATOM 625 CD GLU A 46 14.854 -3.015 -20.741 1.00 0.00 C ATOM 626 OE1 GLU A 46 13.967 -2.493 -20.034 1.00 0.00 O ATOM 627 OE2 GLU A 46 15.682 -3.841 -20.305 1.00 0.00 O ATOM 0 H GLU A 46 12.825 -1.148 -23.864 1.00 0.00 H new ATOM 0 HA GLU A 46 14.889 -2.918 -24.836 1.00 0.00 H new ATOM 0 HB2 GLU A 46 12.839 -2.748 -22.615 1.00 0.00 H new ATOM 0 HB3 GLU A 46 13.718 -4.237 -22.901 1.00 0.00 H new ATOM 0 HG2 GLU A 46 15.865 -2.997 -22.627 1.00 0.00 H new ATOM 0 HG3 GLU A 46 14.959 -1.536 -22.284 1.00 0.00 H new ATOM 634 N GLU A 47 11.765 -3.305 -25.582 1.00 0.00 N ATOM 635 CA GLU A 47 10.814 -4.092 -26.358 1.00 0.00 C ATOM 636 C GLU A 47 11.138 -4.025 -27.847 1.00 0.00 C ATOM 637 O GLU A 47 10.478 -4.666 -28.662 1.00 0.00 O ATOM 638 CB GLU A 47 9.388 -3.595 -26.113 1.00 0.00 C ATOM 639 CG GLU A 47 8.586 -4.486 -25.177 1.00 0.00 C ATOM 640 CD GLU A 47 7.351 -5.064 -25.838 1.00 0.00 C ATOM 641 OE1 GLU A 47 7.502 -5.808 -26.831 1.00 0.00 O ATOM 642 OE2 GLU A 47 6.233 -4.771 -25.367 1.00 0.00 O ATOM 0 H GLU A 47 11.413 -2.397 -25.279 1.00 0.00 H new ATOM 0 HA GLU A 47 10.891 -5.130 -26.034 1.00 0.00 H new ATOM 0 HB2 GLU A 47 9.429 -2.589 -25.697 1.00 0.00 H new ATOM 0 HB3 GLU A 47 8.868 -3.524 -27.068 1.00 0.00 H new ATOM 0 HG2 GLU A 47 9.220 -5.300 -24.825 1.00 0.00 H new ATOM 0 HG3 GLU A 47 8.289 -3.911 -24.300 1.00 0.00 H new ATOM 649 N ASN A 48 12.161 -3.249 -28.199 1.00 0.00 N ATOM 650 CA ASN A 48 12.565 -3.108 -29.576 1.00 0.00 C ATOM 651 C ASN A 48 13.396 -4.307 -30.036 1.00 0.00 C ATOM 652 O ASN A 48 13.787 -4.390 -31.199 1.00 0.00 O ATOM 653 CB ASN A 48 13.360 -1.816 -29.769 1.00 0.00 C ATOM 654 CG ASN A 48 12.645 -0.828 -30.671 1.00 0.00 C ATOM 655 OD1 ASN A 48 12.260 -1.159 -31.792 1.00 0.00 O ATOM 656 ND2 ASN A 48 12.464 0.394 -30.184 1.00 0.00 N ATOM 0 H ASN A 48 12.721 -2.710 -27.538 1.00 0.00 H new ATOM 0 HA ASN A 48 11.662 -3.066 -30.185 1.00 0.00 H new ATOM 0 HB2 ASN A 48 13.539 -1.354 -28.798 1.00 0.00 H new ATOM 0 HB3 ASN A 48 14.335 -2.053 -30.194 1.00 0.00 H new ATOM 0 HD21 ASN A 48 11.989 1.101 -30.745 1.00 0.00 H new ATOM 0 HD22 ASN A 48 12.800 0.625 -29.249 1.00 0.00 H new ATOM 663 N TYR A 49 13.665 -5.233 -29.115 1.00 0.00 N ATOM 664 CA TYR A 49 14.453 -6.418 -29.438 1.00 0.00 C ATOM 665 C TYR A 49 13.556 -7.626 -29.696 1.00 0.00 C ATOM 666 O TYR A 49 13.399 -8.058 -30.838 1.00 0.00 O ATOM 667 CB TYR A 49 15.437 -6.726 -28.308 1.00 0.00 C ATOM 668 CG TYR A 49 16.752 -5.991 -28.439 1.00 0.00 C ATOM 669 CD1 TYR A 49 17.744 -6.453 -29.295 1.00 0.00 C ATOM 670 CD2 TYR A 49 17.001 -4.836 -27.709 1.00 0.00 C ATOM 671 CE1 TYR A 49 18.947 -5.783 -29.420 1.00 0.00 C ATOM 672 CE2 TYR A 49 18.201 -4.160 -27.829 1.00 0.00 C ATOM 673 CZ TYR A 49 19.170 -4.638 -28.685 1.00 0.00 C ATOM 674 OH TYR A 49 20.367 -3.970 -28.807 1.00 0.00 O ATOM 0 H TYR A 49 13.350 -5.184 -28.146 1.00 0.00 H new ATOM 0 HA TYR A 49 15.012 -6.210 -30.350 1.00 0.00 H new ATOM 0 HB2 TYR A 49 14.977 -6.465 -27.355 1.00 0.00 H new ATOM 0 HB3 TYR A 49 15.630 -7.799 -28.286 1.00 0.00 H new ATOM 0 HD1 TYR A 49 17.573 -7.350 -29.872 1.00 0.00 H new ATOM 0 HD2 TYR A 49 16.245 -4.460 -27.036 1.00 0.00 H new ATOM 0 HE1 TYR A 49 19.708 -6.155 -30.090 1.00 0.00 H new ATOM 0 HE2 TYR A 49 18.378 -3.262 -27.255 1.00 0.00 H new ATOM 0 HH TYR A 49 20.364 -3.183 -28.223 1.00 0.00 H new ATOM 684 N LEU A 50 12.976 -8.174 -28.632 1.00 0.00 N ATOM 685 CA LEU A 50 12.103 -9.338 -28.757 1.00 0.00 C ATOM 686 C LEU A 50 10.877 -9.219 -27.847 1.00 0.00 C ATOM 687 O LEU A 50 10.966 -9.468 -26.645 1.00 0.00 O ATOM 688 CB LEU A 50 12.876 -10.616 -28.422 1.00 0.00 C ATOM 689 CG LEU A 50 13.748 -11.160 -29.554 1.00 0.00 C ATOM 690 CD1 LEU A 50 15.057 -10.389 -29.637 1.00 0.00 C ATOM 691 CD2 LEU A 50 14.015 -12.645 -29.353 1.00 0.00 C ATOM 0 H LEU A 50 13.094 -7.833 -27.678 1.00 0.00 H new ATOM 0 HA LEU A 50 11.756 -9.384 -29.789 1.00 0.00 H new ATOM 0 HB2 LEU A 50 13.510 -10.423 -27.556 1.00 0.00 H new ATOM 0 HB3 LEU A 50 12.164 -11.387 -28.130 1.00 0.00 H new ATOM 0 HG LEU A 50 13.213 -11.030 -30.495 1.00 0.00 H new ATOM 0 HD11 LEU A 50 15.665 -10.790 -30.448 1.00 0.00 H new ATOM 0 HD12 LEU A 50 14.848 -9.336 -29.827 1.00 0.00 H new ATOM 0 HD13 LEU A 50 15.598 -10.488 -28.696 1.00 0.00 H new ATOM 0 HD21 LEU A 50 14.637 -13.016 -30.167 1.00 0.00 H new ATOM 0 HD22 LEU A 50 14.530 -12.797 -28.405 1.00 0.00 H new ATOM 0 HD23 LEU A 50 13.069 -13.187 -29.343 1.00 0.00 H new ATOM 703 N PRO A 51 9.709 -8.835 -28.407 1.00 0.00 N ATOM 704 CA PRO A 51 8.463 -8.689 -27.637 1.00 0.00 C ATOM 705 C PRO A 51 8.201 -9.861 -26.694 1.00 0.00 C ATOM 706 O PRO A 51 8.765 -10.942 -26.862 1.00 0.00 O ATOM 707 CB PRO A 51 7.403 -8.632 -28.732 1.00 0.00 C ATOM 708 CG PRO A 51 8.103 -7.943 -29.840 1.00 0.00 C ATOM 709 CD PRO A 51 9.494 -8.512 -29.836 1.00 0.00 C ATOM 0 HA PRO A 51 8.484 -7.818 -26.982 1.00 0.00 H new ATOM 0 HB2 PRO A 51 7.070 -9.628 -29.023 1.00 0.00 H new ATOM 0 HB3 PRO A 51 6.519 -8.082 -28.409 1.00 0.00 H new ATOM 0 HG2 PRO A 51 7.606 -8.123 -30.793 1.00 0.00 H new ATOM 0 HG3 PRO A 51 8.118 -6.864 -29.687 1.00 0.00 H new ATOM 0 HD2 PRO A 51 9.571 -9.397 -30.467 1.00 0.00 H new ATOM 0 HD3 PRO A 51 10.227 -7.793 -30.203 1.00 0.00 H new ATOM 717 N SER A 52 7.339 -9.643 -25.703 1.00 0.00 N ATOM 718 CA SER A 52 7.001 -10.686 -24.738 1.00 0.00 C ATOM 719 C SER A 52 5.935 -10.200 -23.750 1.00 0.00 C ATOM 720 O SER A 52 6.179 -9.275 -22.978 1.00 0.00 O ATOM 721 CB SER A 52 8.254 -11.126 -23.978 1.00 0.00 C ATOM 722 OG SER A 52 9.171 -10.056 -23.838 1.00 0.00 O ATOM 0 H SER A 52 6.863 -8.755 -25.548 1.00 0.00 H new ATOM 0 HA SER A 52 6.596 -11.536 -25.287 1.00 0.00 H new ATOM 0 HB2 SER A 52 7.973 -11.498 -22.993 1.00 0.00 H new ATOM 0 HB3 SER A 52 8.732 -11.951 -24.506 1.00 0.00 H new ATOM 0 HG SER A 52 10.086 -10.397 -23.920 1.00 0.00 H new ATOM 728 N PRO A 53 4.733 -10.819 -23.762 1.00 0.00 N ATOM 729 CA PRO A 53 3.646 -10.440 -22.871 1.00 0.00 C ATOM 730 C PRO A 53 3.690 -11.208 -21.539 1.00 0.00 C ATOM 731 O PRO A 53 4.343 -10.764 -20.596 1.00 0.00 O ATOM 732 CB PRO A 53 2.409 -10.796 -23.699 1.00 0.00 C ATOM 733 CG PRO A 53 2.826 -11.961 -24.542 1.00 0.00 C ATOM 734 CD PRO A 53 4.336 -11.931 -24.645 1.00 0.00 C ATOM 0 HA PRO A 53 3.681 -9.393 -22.568 1.00 0.00 H new ATOM 0 HB2 PRO A 53 1.567 -11.055 -23.058 1.00 0.00 H new ATOM 0 HB3 PRO A 53 2.093 -9.955 -24.317 1.00 0.00 H new ATOM 0 HG2 PRO A 53 2.491 -12.897 -24.095 1.00 0.00 H new ATOM 0 HG3 PRO A 53 2.373 -11.900 -25.531 1.00 0.00 H new ATOM 0 HD2 PRO A 53 4.777 -12.874 -24.322 1.00 0.00 H new ATOM 0 HD3 PRO A 53 4.663 -11.762 -25.671 1.00 0.00 H new ATOM 742 N CYS A 54 2.946 -12.323 -21.456 1.00 0.00 N ATOM 743 CA CYS A 54 2.852 -13.145 -20.239 1.00 0.00 C ATOM 744 C CYS A 54 2.581 -12.298 -18.995 1.00 0.00 C ATOM 745 O CYS A 54 2.396 -11.085 -19.085 1.00 0.00 O ATOM 746 CB CYS A 54 4.091 -14.043 -20.049 1.00 0.00 C ATOM 747 SG CYS A 54 5.693 -13.181 -19.944 1.00 0.00 S ATOM 0 H CYS A 54 2.391 -12.681 -22.234 1.00 0.00 H new ATOM 0 HA CYS A 54 1.994 -13.804 -20.375 1.00 0.00 H new ATOM 0 HB2 CYS A 54 3.955 -14.628 -19.139 1.00 0.00 H new ATOM 0 HB3 CYS A 54 4.134 -14.749 -20.878 1.00 0.00 H new ATOM 752 N GLN A 55 2.527 -12.953 -17.834 1.00 0.00 N ATOM 753 CA GLN A 55 2.242 -12.261 -16.575 1.00 0.00 C ATOM 754 C GLN A 55 0.824 -11.684 -16.606 1.00 0.00 C ATOM 755 O GLN A 55 0.157 -11.726 -17.641 1.00 0.00 O ATOM 756 CB GLN A 55 3.274 -11.154 -16.321 1.00 0.00 C ATOM 757 CG GLN A 55 3.067 -10.417 -15.009 1.00 0.00 C ATOM 758 CD GLN A 55 3.564 -11.204 -13.814 1.00 0.00 C ATOM 759 OE1 GLN A 55 4.385 -12.110 -13.951 1.00 0.00 O ATOM 760 NE2 GLN A 55 3.068 -10.860 -12.630 1.00 0.00 N ATOM 0 H GLN A 55 2.676 -13.958 -17.739 1.00 0.00 H new ATOM 0 HA GLN A 55 2.310 -12.978 -15.757 1.00 0.00 H new ATOM 0 HB2 GLN A 55 4.272 -11.591 -16.328 1.00 0.00 H new ATOM 0 HB3 GLN A 55 3.234 -10.437 -17.141 1.00 0.00 H new ATOM 0 HG2 GLN A 55 3.585 -9.459 -15.049 1.00 0.00 H new ATOM 0 HG3 GLN A 55 2.006 -10.201 -14.881 1.00 0.00 H new ATOM 0 HE21 GLN A 55 2.389 -10.102 -12.562 1.00 0.00 H new ATOM 0 HE22 GLN A 55 3.367 -11.354 -11.789 1.00 0.00 H new ATOM 769 N SER A 56 0.361 -11.145 -15.478 1.00 0.00 N ATOM 770 CA SER A 56 -0.972 -10.574 -15.403 1.00 0.00 C ATOM 771 C SER A 56 -1.159 -9.739 -14.135 1.00 0.00 C ATOM 772 O SER A 56 -0.194 -9.429 -13.437 1.00 0.00 O ATOM 773 CB SER A 56 -2.032 -11.674 -15.472 1.00 0.00 C ATOM 774 OG SER A 56 -2.211 -12.289 -14.209 1.00 0.00 O ATOM 0 H SER A 56 0.892 -11.095 -14.609 1.00 0.00 H new ATOM 0 HA SER A 56 -1.092 -9.911 -16.260 1.00 0.00 H new ATOM 0 HB2 SER A 56 -2.978 -11.251 -15.811 1.00 0.00 H new ATOM 0 HB3 SER A 56 -1.736 -12.423 -16.206 1.00 0.00 H new ATOM 0 HG SER A 56 -2.895 -12.987 -14.279 1.00 0.00 H new ATOM 780 N GLY A 57 -2.409 -9.360 -13.854 1.00 0.00 N ATOM 781 CA GLY A 57 -2.691 -8.547 -12.682 1.00 0.00 C ATOM 782 C GLY A 57 -4.166 -8.426 -12.360 1.00 0.00 C ATOM 783 O GLY A 57 -4.814 -9.396 -11.972 1.00 0.00 O ATOM 0 H GLY A 57 -3.226 -9.601 -14.416 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -2.175 -8.975 -11.822 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -2.280 -7.549 -12.836 1.00 0.00 H new ATOM 787 N GLN A 58 -4.677 -7.213 -12.492 1.00 0.00 N ATOM 788 CA GLN A 58 -6.060 -6.906 -12.189 1.00 0.00 C ATOM 789 C GLN A 58 -7.038 -7.328 -13.259 1.00 0.00 C ATOM 790 O GLN A 58 -6.640 -7.766 -14.333 1.00 0.00 O ATOM 791 CB GLN A 58 -6.237 -5.451 -12.020 1.00 0.00 C ATOM 792 CG GLN A 58 -6.333 -5.096 -10.562 1.00 0.00 C ATOM 793 CD GLN A 58 -7.731 -5.285 -9.984 1.00 0.00 C ATOM 794 OE1 GLN A 58 -8.406 -6.350 -10.395 1.00 0.00 O flip ATOM 795 NE2 GLN A 58 -8.187 -4.485 -9.171 1.00 0.00 N flip ATOM 0 H GLN A 58 -4.138 -6.410 -12.815 1.00 0.00 H new ATOM 0 HA GLN A 58 -6.272 -7.467 -11.279 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -5.399 -4.922 -12.474 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -7.139 -5.126 -12.539 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -5.629 -5.709 -9.999 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -6.030 -4.058 -10.428 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -7.633 -3.679 -8.883 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -9.120 -4.627 -8.784 1.00 0.00 H new ATOM 804 N LYS A 59 -8.329 -7.162 -12.965 1.00 0.00 N ATOM 805 CA LYS A 59 -9.366 -7.459 -13.890 1.00 0.00 C ATOM 806 C LYS A 59 -9.689 -6.238 -14.781 1.00 0.00 C ATOM 807 O LYS A 59 -9.670 -5.086 -14.325 1.00 0.00 O ATOM 808 CB LYS A 59 -10.625 -7.918 -13.152 1.00 0.00 C ATOM 809 CG LYS A 59 -11.769 -8.296 -14.078 1.00 0.00 C ATOM 810 CD LYS A 59 -12.906 -7.294 -13.993 1.00 0.00 C ATOM 811 CE LYS A 59 -14.153 -7.914 -13.383 1.00 0.00 C ATOM 812 NZ LYS A 59 -15.077 -6.882 -12.838 1.00 0.00 N ATOM 0 H LYS A 59 -8.662 -6.814 -12.066 1.00 0.00 H new ATOM 0 HA LYS A 59 -9.017 -8.267 -14.533 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -10.377 -8.775 -12.526 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -10.956 -7.122 -12.485 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -11.406 -8.350 -15.104 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -12.137 -9.289 -13.818 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -12.594 -6.438 -13.394 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -13.136 -6.918 -14.990 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -14.672 -8.503 -14.139 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -13.865 -8.600 -12.587 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -15.914 -7.346 -12.431 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -14.590 -6.336 -12.099 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -15.373 -6.242 -13.603 1.00 0.00 H new ATOM 826 N PRO A 60 -9.944 -6.483 -16.070 1.00 0.00 N ATOM 827 CA PRO A 60 -10.266 -5.450 -17.051 1.00 0.00 C ATOM 828 C PRO A 60 -11.349 -4.460 -16.573 1.00 0.00 C ATOM 829 O PRO A 60 -11.992 -4.685 -15.545 1.00 0.00 O ATOM 830 CB PRO A 60 -10.784 -6.267 -18.227 1.00 0.00 C ATOM 831 CG PRO A 60 -10.044 -7.558 -18.131 1.00 0.00 C ATOM 832 CD PRO A 60 -9.834 -7.803 -16.666 1.00 0.00 C ATOM 0 HA PRO A 60 -9.405 -4.819 -17.270 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -11.861 -6.420 -18.162 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -10.590 -5.767 -19.176 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -10.613 -8.369 -18.585 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -9.092 -7.503 -18.658 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -10.582 -8.486 -16.264 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -8.859 -8.249 -16.472 1.00 0.00 H new ATOM 840 N CYS A 61 -11.569 -3.391 -17.350 1.00 0.00 N ATOM 841 CA CYS A 61 -12.603 -2.399 -17.002 1.00 0.00 C ATOM 842 C CYS A 61 -12.990 -1.431 -18.127 1.00 0.00 C ATOM 843 O CYS A 61 -12.339 -1.332 -19.173 1.00 0.00 O ATOM 844 CB CYS A 61 -12.262 -1.616 -15.736 1.00 0.00 C ATOM 845 SG CYS A 61 -10.572 -0.947 -15.687 1.00 0.00 S ATOM 0 H CYS A 61 -11.057 -3.190 -18.209 1.00 0.00 H new ATOM 0 HA CYS A 61 -13.483 -3.016 -16.818 1.00 0.00 H new ATOM 0 HB2 CYS A 61 -12.967 -0.791 -15.634 1.00 0.00 H new ATOM 0 HB3 CYS A 61 -12.406 -2.267 -14.873 1.00 0.00 H new ATOM 850 N GLY A 62 -14.098 -0.743 -17.887 1.00 0.00 N ATOM 851 CA GLY A 62 -14.666 0.173 -18.816 1.00 0.00 C ATOM 852 C GLY A 62 -14.285 1.631 -18.639 1.00 0.00 C ATOM 853 O GLY A 62 -15.053 2.525 -19.014 1.00 0.00 O ATOM 0 H GLY A 62 -14.624 -0.821 -17.017 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -14.379 -0.136 -19.821 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -15.751 0.093 -18.756 1.00 0.00 H new ATOM 857 N SER A 63 -13.079 1.869 -18.181 1.00 0.00 N ATOM 858 CA SER A 63 -12.560 3.186 -18.068 1.00 0.00 C ATOM 859 C SER A 63 -11.386 3.333 -19.024 1.00 0.00 C ATOM 860 O SER A 63 -10.407 4.030 -18.758 1.00 0.00 O ATOM 861 CB SER A 63 -12.151 3.464 -16.632 1.00 0.00 C ATOM 862 OG SER A 63 -12.093 4.857 -16.363 1.00 0.00 O ATOM 0 H SER A 63 -12.435 1.139 -17.877 1.00 0.00 H new ATOM 0 HA SER A 63 -13.323 3.917 -18.336 1.00 0.00 H new ATOM 0 HB2 SER A 63 -12.861 2.992 -15.953 1.00 0.00 H new ATOM 0 HB3 SER A 63 -11.177 3.015 -16.437 1.00 0.00 H new ATOM 0 HG SER A 63 -11.986 5.000 -15.399 1.00 0.00 H new ATOM 868 N GLY A 64 -11.521 2.652 -20.169 1.00 0.00 N ATOM 869 CA GLY A 64 -10.520 2.677 -21.209 1.00 0.00 C ATOM 870 C GLY A 64 -9.622 1.439 -21.265 1.00 0.00 C ATOM 871 O GLY A 64 -8.679 1.402 -22.050 1.00 0.00 O ATOM 0 H GLY A 64 -12.332 2.073 -20.387 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -11.019 2.791 -22.171 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -9.893 3.557 -21.069 1.00 0.00 H new ATOM 875 N GLY A 65 -9.884 0.449 -20.399 1.00 0.00 N ATOM 876 CA GLY A 65 -9.052 -0.732 -20.346 1.00 0.00 C ATOM 877 C GLY A 65 -9.102 -1.465 -19.045 1.00 0.00 C ATOM 878 O GLY A 65 -10.145 -1.595 -18.446 1.00 0.00 O ATOM 0 H GLY A 65 -10.660 0.454 -19.738 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -9.355 -1.411 -21.143 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -8.020 -0.444 -20.547 1.00 0.00 H new ATOM 882 N ARG A 66 -7.992 -2.054 -18.679 1.00 0.00 N ATOM 883 CA ARG A 66 -7.955 -2.889 -17.503 1.00 0.00 C ATOM 884 C ARG A 66 -7.591 -2.100 -16.260 1.00 0.00 C ATOM 885 O ARG A 66 -7.384 -0.893 -16.327 1.00 0.00 O ATOM 886 CB ARG A 66 -6.964 -4.050 -17.679 1.00 0.00 C ATOM 887 CG ARG A 66 -6.937 -4.633 -19.084 1.00 0.00 C ATOM 888 CD ARG A 66 -8.284 -5.215 -19.473 1.00 0.00 C ATOM 889 NE ARG A 66 -8.163 -6.249 -20.499 1.00 0.00 N ATOM 890 CZ ARG A 66 -8.193 -6.007 -21.808 1.00 0.00 C ATOM 891 NH1 ARG A 66 -8.336 -4.766 -22.259 1.00 0.00 N ATOM 892 NH2 ARG A 66 -8.080 -7.009 -22.669 1.00 0.00 N ATOM 0 H ARG A 66 -7.105 -1.972 -19.175 1.00 0.00 H new ATOM 0 HA ARG A 66 -8.960 -3.291 -17.374 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -5.963 -3.702 -17.422 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -7.218 -4.841 -16.973 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -6.656 -3.856 -19.796 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -6.174 -5.409 -19.142 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -8.765 -5.636 -18.590 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -8.931 -4.417 -19.838 1.00 0.00 H new ATOM 0 HE ARG A 66 -8.049 -7.215 -20.193 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -8.424 -3.991 -21.601 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -8.358 -4.588 -23.263 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -7.970 -7.964 -22.328 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -8.103 -6.825 -23.672 1.00 0.00 H new ATOM 906 N CYS A 67 -7.474 -2.792 -15.125 1.00 0.00 N ATOM 907 CA CYS A 67 -7.089 -2.148 -13.901 1.00 0.00 C ATOM 908 C CYS A 67 -5.571 -1.976 -13.829 1.00 0.00 C ATOM 909 O CYS A 67 -4.919 -2.459 -12.900 1.00 0.00 O ATOM 910 CB CYS A 67 -7.606 -2.921 -12.706 1.00 0.00 C ATOM 911 SG CYS A 67 -7.260 -2.128 -11.121 1.00 0.00 S ATOM 0 H CYS A 67 -7.643 -3.795 -15.044 1.00 0.00 H new ATOM 0 HA CYS A 67 -7.538 -1.155 -13.882 1.00 0.00 H new ATOM 0 HB2 CYS A 67 -8.683 -3.053 -12.808 1.00 0.00 H new ATOM 0 HB3 CYS A 67 -7.161 -3.916 -12.709 1.00 0.00 H new ATOM 916 N ALA A 68 -5.048 -1.294 -14.827 1.00 0.00 N ATOM 917 CA ALA A 68 -3.616 -1.010 -14.985 1.00 0.00 C ATOM 918 C ALA A 68 -2.753 -1.082 -13.705 1.00 0.00 C ATOM 919 O ALA A 68 -1.892 -1.957 -13.612 1.00 0.00 O ATOM 920 CB ALA A 68 -3.435 0.339 -15.648 1.00 0.00 C ATOM 0 H ALA A 68 -5.616 -0.905 -15.580 1.00 0.00 H new ATOM 0 HA ALA A 68 -3.244 -1.824 -15.608 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -2.371 0.548 -15.764 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -3.912 0.330 -16.628 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -3.891 1.112 -15.030 1.00 0.00 H new ATOM 926 N ALA A 69 -2.917 -0.159 -12.741 1.00 0.00 N ATOM 927 CA ALA A 69 -2.103 -0.141 -11.531 1.00 0.00 C ATOM 928 C ALA A 69 -2.777 0.721 -10.473 1.00 0.00 C ATOM 929 O ALA A 69 -3.338 1.764 -10.801 1.00 0.00 O ATOM 930 CB ALA A 69 -0.754 0.461 -11.800 1.00 0.00 C ATOM 0 H ALA A 69 -3.613 0.585 -12.785 1.00 0.00 H new ATOM 0 HA ALA A 69 -1.992 -1.171 -11.193 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -0.167 0.463 -10.882 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -0.238 -0.127 -12.560 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -0.876 1.485 -12.154 1.00 0.00 H new ATOM 936 N ALA A 70 -2.724 0.250 -9.220 1.00 0.00 N ATOM 937 CA ALA A 70 -3.363 0.923 -8.056 1.00 0.00 C ATOM 938 C ALA A 70 -4.634 1.632 -8.474 1.00 0.00 C ATOM 939 O ALA A 70 -4.923 2.736 -8.011 1.00 0.00 O ATOM 940 CB ALA A 70 -2.475 1.972 -7.473 1.00 0.00 C ATOM 0 H ALA A 70 -2.237 -0.612 -8.973 1.00 0.00 H new ATOM 0 HA ALA A 70 -3.565 0.138 -7.327 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -2.974 2.442 -6.626 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -1.544 1.515 -7.138 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -2.257 2.726 -8.229 1.00 0.00 H new ATOM 946 N GLY A 71 -5.320 1.036 -9.409 1.00 0.00 N ATOM 947 CA GLY A 71 -6.463 1.645 -9.960 1.00 0.00 C ATOM 948 C GLY A 71 -6.075 2.555 -11.119 1.00 0.00 C ATOM 949 O GLY A 71 -5.810 3.738 -10.978 1.00 0.00 O ATOM 0 H GLY A 71 -5.092 0.121 -9.798 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -7.158 0.881 -10.307 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -6.980 2.222 -9.194 1.00 0.00 H new ATOM 953 N ILE A 72 -6.105 1.970 -12.278 1.00 0.00 N ATOM 954 CA ILE A 72 -5.836 2.641 -13.518 1.00 0.00 C ATOM 955 C ILE A 72 -6.500 1.862 -14.576 1.00 0.00 C ATOM 956 O ILE A 72 -6.011 0.823 -14.965 1.00 0.00 O ATOM 957 CB ILE A 72 -4.340 2.768 -13.917 1.00 0.00 C ATOM 958 CG1 ILE A 72 -3.623 3.748 -13.014 1.00 0.00 C ATOM 959 CG2 ILE A 72 -4.150 3.183 -15.382 1.00 0.00 C ATOM 960 CD1 ILE A 72 -3.502 5.136 -13.603 1.00 0.00 C ATOM 0 H ILE A 72 -6.324 0.980 -12.393 1.00 0.00 H new ATOM 0 HA ILE A 72 -6.198 3.662 -13.393 1.00 0.00 H new ATOM 0 HB ILE A 72 -3.906 1.775 -13.797 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -4.154 3.810 -12.064 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -2.625 3.366 -12.797 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -3.085 3.256 -15.604 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -4.606 2.438 -16.033 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -4.623 4.150 -15.550 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -2.978 5.785 -12.901 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -2.944 5.087 -14.538 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -4.497 5.538 -13.795 1.00 0.00 H new ATOM 972 N CYS A 73 -7.567 2.361 -15.075 1.00 0.00 N ATOM 973 CA CYS A 73 -8.202 1.681 -16.110 1.00 0.00 C ATOM 974 C CYS A 73 -7.503 2.176 -17.363 1.00 0.00 C ATOM 975 O CYS A 73 -7.660 3.328 -17.786 1.00 0.00 O ATOM 976 CB CYS A 73 -9.692 1.898 -15.986 1.00 0.00 C ATOM 977 SG CYS A 73 -10.682 0.686 -16.879 1.00 0.00 S ATOM 0 H CYS A 73 -8.008 3.232 -14.779 1.00 0.00 H new ATOM 0 HA CYS A 73 -8.123 0.594 -16.110 1.00 0.00 H new ATOM 0 HB2 CYS A 73 -9.967 1.871 -14.932 1.00 0.00 H new ATOM 0 HB3 CYS A 73 -9.936 2.895 -16.354 1.00 0.00 H new ATOM 982 N CYS A 74 -6.546 1.349 -17.809 1.00 0.00 N ATOM 983 CA CYS A 74 -5.647 1.738 -18.873 1.00 0.00 C ATOM 984 C CYS A 74 -5.401 0.659 -19.918 1.00 0.00 C ATOM 985 O CYS A 74 -5.277 -0.534 -19.628 1.00 0.00 O ATOM 986 CB CYS A 74 -4.288 2.119 -18.240 1.00 0.00 C ATOM 987 SG CYS A 74 -2.805 2.003 -19.333 1.00 0.00 S ATOM 0 H CYS A 74 -6.385 0.411 -17.442 1.00 0.00 H new ATOM 0 HA CYS A 74 -6.123 2.569 -19.394 1.00 0.00 H new ATOM 0 HB2 CYS A 74 -4.359 3.142 -17.870 1.00 0.00 H new ATOM 0 HB3 CYS A 74 -4.124 1.478 -17.374 1.00 0.00 H new ATOM 992 N SER A 75 -5.265 1.158 -21.126 1.00 0.00 N ATOM 993 CA SER A 75 -4.939 0.345 -22.271 1.00 0.00 C ATOM 994 C SER A 75 -3.790 1.015 -23.046 1.00 0.00 C ATOM 995 O SER A 75 -2.912 1.599 -22.408 1.00 0.00 O ATOM 996 CB SER A 75 -6.192 0.167 -23.127 1.00 0.00 C ATOM 997 OG SER A 75 -7.213 -0.511 -22.411 1.00 0.00 O ATOM 0 H SER A 75 -5.379 2.149 -21.341 1.00 0.00 H new ATOM 0 HA SER A 75 -4.602 -0.646 -21.968 1.00 0.00 H new ATOM 0 HB2 SER A 75 -6.557 1.142 -23.449 1.00 0.00 H new ATOM 0 HB3 SER A 75 -5.943 -0.393 -24.028 1.00 0.00 H new ATOM 0 HG SER A 75 -8.083 -0.113 -22.626 1.00 0.00 H new ATOM 1003 N PRO A 76 -3.770 1.044 -24.407 1.00 0.00 N ATOM 1004 CA PRO A 76 -2.728 1.737 -25.132 1.00 0.00 C ATOM 1005 C PRO A 76 -3.189 3.162 -25.392 1.00 0.00 C ATOM 1006 O PRO A 76 -2.396 4.098 -25.506 1.00 0.00 O ATOM 1007 CB PRO A 76 -2.616 0.963 -26.452 1.00 0.00 C ATOM 1008 CG PRO A 76 -3.847 0.111 -26.541 1.00 0.00 C ATOM 1009 CD PRO A 76 -4.723 0.468 -25.367 1.00 0.00 C ATOM 0 HA PRO A 76 -1.777 1.783 -24.602 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -2.552 1.645 -27.300 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -1.715 0.349 -26.469 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -4.371 0.289 -27.480 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -3.585 -0.947 -26.518 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -5.498 1.182 -25.644 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -5.228 -0.408 -24.959 1.00 0.00 H new ATOM 1017 N ASP A 77 -4.512 3.294 -25.476 1.00 0.00 N ATOM 1018 CA ASP A 77 -5.214 4.570 -25.729 1.00 0.00 C ATOM 1019 C ASP A 77 -4.861 5.551 -24.661 1.00 0.00 C ATOM 1020 O ASP A 77 -4.325 6.632 -24.947 1.00 0.00 O ATOM 1021 CB ASP A 77 -6.729 4.357 -25.770 1.00 0.00 C ATOM 1022 CG ASP A 77 -7.379 5.053 -26.949 1.00 0.00 C ATOM 1023 OD1 ASP A 77 -6.926 4.832 -28.094 1.00 0.00 O ATOM 1024 OD2 ASP A 77 -8.339 5.821 -26.731 1.00 0.00 O ATOM 0 H ASP A 77 -5.148 2.504 -25.369 1.00 0.00 H new ATOM 0 HA ASP A 77 -4.900 4.959 -26.698 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -6.942 3.289 -25.820 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -7.170 4.727 -24.845 1.00 0.00 H new ATOM 1029 N GLY A 78 -5.040 5.138 -23.408 1.00 0.00 N ATOM 1030 CA GLY A 78 -4.597 5.956 -22.301 1.00 0.00 C ATOM 1031 C GLY A 78 -4.760 5.267 -20.976 1.00 0.00 C ATOM 1032 O GLY A 78 -5.633 4.403 -20.830 1.00 0.00 O ATOM 0 H GLY A 78 -5.481 4.257 -23.145 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -3.549 6.219 -22.444 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -5.161 6.889 -22.294 1.00 0.00 H new ATOM 1036 N CYS A 79 -3.996 5.679 -19.988 1.00 0.00 N ATOM 1037 CA CYS A 79 -4.158 5.123 -18.647 1.00 0.00 C ATOM 1038 C CYS A 79 -4.701 6.167 -17.749 1.00 0.00 C ATOM 1039 O CYS A 79 -4.399 7.356 -17.895 1.00 0.00 O ATOM 1040 CB CYS A 79 -2.887 4.671 -17.972 1.00 0.00 C ATOM 1041 SG CYS A 79 -1.766 3.715 -19.016 1.00 0.00 S ATOM 0 H CYS A 79 -3.265 6.385 -20.077 1.00 0.00 H new ATOM 0 HA CYS A 79 -4.804 4.258 -18.797 1.00 0.00 H new ATOM 0 HB2 CYS A 79 -2.357 5.549 -17.605 1.00 0.00 H new ATOM 0 HB3 CYS A 79 -3.150 4.070 -17.101 1.00 0.00 H new ATOM 1046 N GLU A 80 -5.506 5.733 -16.839 1.00 0.00 N ATOM 1047 CA GLU A 80 -6.110 6.640 -15.917 1.00 0.00 C ATOM 1048 C GLU A 80 -6.485 5.951 -14.624 1.00 0.00 C ATOM 1049 O GLU A 80 -7.036 4.852 -14.633 1.00 0.00 O ATOM 1050 CB GLU A 80 -7.342 7.294 -16.544 1.00 0.00 C ATOM 1051 CG GLU A 80 -8.471 6.312 -16.830 1.00 0.00 C ATOM 1052 CD GLU A 80 -9.710 6.578 -15.988 1.00 0.00 C ATOM 1053 OE1 GLU A 80 -10.498 7.466 -16.370 1.00 0.00 O ATOM 1054 OE2 GLU A 80 -9.878 5.897 -14.961 1.00 0.00 O ATOM 0 H GLU A 80 -5.763 4.754 -16.712 1.00 0.00 H new ATOM 0 HA GLU A 80 -5.377 7.412 -15.683 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -7.709 8.073 -15.876 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -7.051 7.782 -17.474 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -8.736 6.367 -17.886 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -8.120 5.297 -16.642 1.00 0.00 H new ATOM 1061 N GLU A 81 -6.201 6.612 -13.505 1.00 0.00 N ATOM 1062 CA GLU A 81 -6.529 6.085 -12.204 1.00 0.00 C ATOM 1063 C GLU A 81 -8.015 5.815 -12.180 1.00 0.00 C ATOM 1064 O GLU A 81 -8.832 6.731 -12.282 1.00 0.00 O ATOM 1065 CB GLU A 81 -6.139 7.081 -11.115 1.00 0.00 C ATOM 1066 CG GLU A 81 -6.414 8.516 -11.474 1.00 0.00 C ATOM 1067 CD GLU A 81 -5.196 9.406 -11.312 1.00 0.00 C ATOM 1068 OE1 GLU A 81 -4.821 9.696 -10.158 1.00 0.00 O ATOM 1069 OE2 GLU A 81 -4.616 9.807 -12.344 1.00 0.00 O ATOM 0 H GLU A 81 -5.740 7.522 -13.485 1.00 0.00 H new ATOM 0 HA GLU A 81 -5.979 5.163 -12.014 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -6.680 6.835 -10.201 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -5.077 6.968 -10.897 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -6.761 8.568 -12.506 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -7.221 8.895 -10.847 1.00 0.00 H new ATOM 1076 N ASP A 82 -8.354 4.535 -12.115 1.00 0.00 N ATOM 1077 CA ASP A 82 -9.721 4.149 -12.150 1.00 0.00 C ATOM 1078 C ASP A 82 -10.261 3.929 -10.744 1.00 0.00 C ATOM 1079 O ASP A 82 -9.948 2.942 -10.095 1.00 0.00 O ATOM 1080 CB ASP A 82 -9.949 2.933 -13.080 1.00 0.00 C ATOM 1081 CG ASP A 82 -9.095 1.744 -12.743 1.00 0.00 C ATOM 1082 OD1 ASP A 82 -8.545 1.728 -11.641 1.00 0.00 O ATOM 1083 OD2 ASP A 82 -8.991 0.814 -13.577 1.00 0.00 O ATOM 0 H ASP A 82 -7.691 3.764 -12.038 1.00 0.00 H new ATOM 0 HA ASP A 82 -10.294 4.969 -12.583 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -10.998 2.641 -13.030 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -9.750 3.232 -14.109 1.00 0.00 H new ATOM 1088 N PRO A 83 -11.098 4.868 -10.263 1.00 0.00 N ATOM 1089 CA PRO A 83 -11.731 4.788 -8.950 1.00 0.00 C ATOM 1090 C PRO A 83 -12.545 3.515 -8.868 1.00 0.00 C ATOM 1091 O PRO A 83 -12.856 2.992 -7.795 1.00 0.00 O ATOM 1092 CB PRO A 83 -12.624 6.032 -8.918 1.00 0.00 C ATOM 1093 CG PRO A 83 -11.961 6.957 -9.868 1.00 0.00 C ATOM 1094 CD PRO A 83 -11.494 6.066 -10.973 1.00 0.00 C ATOM 0 HA PRO A 83 -11.033 4.762 -8.113 1.00 0.00 H new ATOM 0 HB2 PRO A 83 -13.644 5.802 -9.227 1.00 0.00 H new ATOM 0 HB3 PRO A 83 -12.683 6.459 -7.917 1.00 0.00 H new ATOM 0 HG2 PRO A 83 -12.652 7.717 -10.233 1.00 0.00 H new ATOM 0 HG3 PRO A 83 -11.128 7.482 -9.399 1.00 0.00 H new ATOM 0 HD2 PRO A 83 -12.285 5.867 -11.696 1.00 0.00 H new ATOM 0 HD3 PRO A 83 -10.662 6.505 -11.524 1.00 0.00 H new ATOM 1102 N ALA A 84 -12.783 2.992 -10.052 1.00 0.00 N ATOM 1103 CA ALA A 84 -13.444 1.748 -10.255 1.00 0.00 C ATOM 1104 C ALA A 84 -12.570 0.634 -9.711 1.00 0.00 C ATOM 1105 O ALA A 84 -13.015 -0.485 -9.457 1.00 0.00 O ATOM 1106 CB ALA A 84 -13.616 1.572 -11.749 1.00 0.00 C ATOM 0 H ALA A 84 -12.506 3.448 -10.922 1.00 0.00 H new ATOM 0 HA ALA A 84 -14.409 1.724 -9.749 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -14.121 0.627 -11.948 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -14.213 2.393 -12.146 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -12.638 1.570 -12.230 1.00 0.00 H new ATOM 1112 N CYS A 85 -11.320 0.992 -9.540 1.00 0.00 N ATOM 1113 CA CYS A 85 -10.338 0.101 -9.033 1.00 0.00 C ATOM 1114 C CYS A 85 -9.671 0.484 -7.704 1.00 0.00 C ATOM 1115 O CYS A 85 -9.371 -0.440 -6.941 1.00 0.00 O ATOM 1116 CB CYS A 85 -9.263 -0.199 -10.042 1.00 0.00 C ATOM 1117 SG CYS A 85 -9.110 -1.969 -10.347 1.00 0.00 S ATOM 0 H CYS A 85 -10.965 1.924 -9.755 1.00 0.00 H new ATOM 0 HA CYS A 85 -10.936 -0.785 -8.821 1.00 0.00 H new ATOM 0 HB2 CYS A 85 -9.489 0.313 -10.977 1.00 0.00 H new ATOM 0 HB3 CYS A 85 -8.310 0.193 -9.686 1.00 0.00 H new ATOM 1122 N ASP A 86 -9.383 1.788 -7.388 1.00 0.00 N ATOM 1123 CA ASP A 86 -8.672 2.053 -6.084 1.00 0.00 C ATOM 1124 C ASP A 86 -7.993 3.414 -5.795 1.00 0.00 C ATOM 1125 O ASP A 86 -7.659 3.656 -4.634 1.00 0.00 O ATOM 1126 CB ASP A 86 -7.465 1.149 -6.047 1.00 0.00 C ATOM 1127 CG ASP A 86 -6.970 0.858 -4.642 1.00 0.00 C ATOM 1128 OD1 ASP A 86 -7.810 0.583 -3.762 1.00 0.00 O ATOM 1129 OD2 ASP A 86 -5.741 0.903 -4.424 1.00 0.00 O ATOM 0 H ASP A 86 -9.605 2.606 -7.956 1.00 0.00 H new ATOM 0 HA ASP A 86 -9.498 1.941 -5.381 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -7.710 0.208 -6.540 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -6.659 1.608 -6.620 1.00 0.00 H new ATOM 1134 N PRO A 87 -7.650 4.262 -6.772 1.00 0.00 N ATOM 1135 CA PRO A 87 -6.881 5.467 -6.507 1.00 0.00 C ATOM 1136 C PRO A 87 -7.733 6.653 -6.311 1.00 0.00 C ATOM 1137 O PRO A 87 -7.850 7.226 -5.230 1.00 0.00 O ATOM 1138 CB PRO A 87 -6.043 5.629 -7.774 1.00 0.00 C ATOM 1139 CG PRO A 87 -6.552 4.606 -8.714 1.00 0.00 C ATOM 1140 CD PRO A 87 -7.866 4.126 -8.188 1.00 0.00 C ATOM 0 HA PRO A 87 -6.298 5.381 -5.590 1.00 0.00 H new ATOM 0 HB2 PRO A 87 -6.148 6.631 -8.189 1.00 0.00 H new ATOM 0 HB3 PRO A 87 -4.983 5.479 -7.566 1.00 0.00 H new ATOM 0 HG2 PRO A 87 -6.670 5.027 -9.712 1.00 0.00 H new ATOM 0 HG3 PRO A 87 -5.848 3.779 -8.798 1.00 0.00 H new ATOM 0 HD2 PRO A 87 -8.700 4.733 -8.540 1.00 0.00 H new ATOM 0 HD3 PRO A 87 -8.077 3.097 -8.478 1.00 0.00 H new ATOM 1148 N GLU A 88 -8.344 6.996 -7.391 1.00 0.00 N ATOM 1149 CA GLU A 88 -9.265 8.116 -7.407 1.00 0.00 C ATOM 1150 C GLU A 88 -10.593 7.597 -6.874 1.00 0.00 C ATOM 1151 O GLU A 88 -11.639 8.236 -6.922 1.00 0.00 O ATOM 1152 CB GLU A 88 -9.431 8.614 -8.840 1.00 0.00 C ATOM 1153 CG GLU A 88 -9.920 10.051 -8.942 1.00 0.00 C ATOM 1154 CD GLU A 88 -10.421 10.397 -10.327 1.00 0.00 C ATOM 1155 OE1 GLU A 88 -11.203 9.601 -10.896 1.00 0.00 O ATOM 1156 OE2 GLU A 88 -10.039 11.464 -10.853 1.00 0.00 O ATOM 0 H GLU A 88 -8.232 6.524 -8.288 1.00 0.00 H new ATOM 0 HA GLU A 88 -8.901 8.944 -6.799 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -8.475 8.529 -9.357 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -10.134 7.964 -9.361 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -10.720 10.211 -8.219 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -9.108 10.727 -8.674 1.00 0.00 H new ATOM 1163 N ALA A 89 -10.478 6.319 -6.545 1.00 0.00 N ATOM 1164 CA ALA A 89 -11.526 5.416 -6.155 1.00 0.00 C ATOM 1165 C ALA A 89 -12.263 5.664 -4.854 1.00 0.00 C ATOM 1166 O ALA A 89 -11.969 6.533 -4.032 1.00 0.00 O ATOM 1167 CB ALA A 89 -10.933 4.014 -6.128 1.00 0.00 C ATOM 0 H ALA A 89 -9.568 5.858 -6.548 1.00 0.00 H new ATOM 0 HA ALA A 89 -12.305 5.575 -6.900 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -11.702 3.299 -5.835 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -10.559 3.758 -7.119 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -10.113 3.979 -5.410 1.00 0.00 H new ATOM 1173 N ALA A 90 -13.206 4.765 -4.749 1.00 0.00 N ATOM 1174 CA ALA A 90 -14.125 4.535 -3.686 1.00 0.00 C ATOM 1175 C ALA A 90 -13.569 3.391 -2.873 1.00 0.00 C ATOM 1176 O ALA A 90 -12.366 3.129 -2.941 1.00 0.00 O ATOM 1177 CB ALA A 90 -15.433 4.112 -4.311 1.00 0.00 C ATOM 0 H ALA A 90 -13.359 4.099 -5.506 1.00 0.00 H new ATOM 0 HA ALA A 90 -14.273 5.416 -3.061 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -16.167 3.925 -3.527 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -15.796 4.903 -4.967 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -15.282 3.201 -4.891 1.00 0.00 H new ATOM 1183 N PHE A 91 -14.411 2.654 -2.159 1.00 0.00 N ATOM 1184 CA PHE A 91 -13.925 1.493 -1.435 1.00 0.00 C ATOM 1185 C PHE A 91 -13.759 0.391 -2.477 1.00 0.00 C ATOM 1186 O PHE A 91 -14.246 -0.728 -2.335 1.00 0.00 O ATOM 1187 CB PHE A 91 -14.892 1.060 -0.334 1.00 0.00 C ATOM 1188 CG PHE A 91 -14.200 0.433 0.846 1.00 0.00 C ATOM 1189 CD1 PHE A 91 -13.648 1.222 1.844 1.00 0.00 C ATOM 1190 CD2 PHE A 91 -14.097 -0.944 0.955 1.00 0.00 C ATOM 1191 CE1 PHE A 91 -13.009 0.649 2.927 1.00 0.00 C ATOM 1192 CE2 PHE A 91 -13.458 -1.525 2.035 1.00 0.00 C ATOM 1193 CZ PHE A 91 -12.914 -0.727 3.021 1.00 0.00 C ATOM 0 H PHE A 91 -15.411 2.836 -2.068 1.00 0.00 H new ATOM 0 HA PHE A 91 -12.985 1.718 -0.931 1.00 0.00 H new ATOM 0 HB2 PHE A 91 -15.460 1.927 0.004 1.00 0.00 H new ATOM 0 HB3 PHE A 91 -15.609 0.350 -0.747 1.00 0.00 H new ATOM 0 HD1 PHE A 91 -13.718 2.297 1.774 1.00 0.00 H new ATOM 0 HD2 PHE A 91 -14.522 -1.572 0.186 1.00 0.00 H new ATOM 0 HE1 PHE A 91 -12.585 1.275 3.698 1.00 0.00 H new ATOM 0 HE2 PHE A 91 -13.385 -2.600 2.107 1.00 0.00 H new ATOM 0 HZ PHE A 91 -12.414 -1.177 3.866 1.00 0.00 H new ATOM 1203 N SER A 92 -13.042 0.765 -3.549 1.00 0.00 N ATOM 1204 CA SER A 92 -12.753 -0.095 -4.681 1.00 0.00 C ATOM 1205 C SER A 92 -11.370 -0.729 -4.541 1.00 0.00 C ATOM 1206 O SER A 92 -10.450 -0.038 -4.062 1.00 0.00 O ATOM 1207 CB SER A 92 -12.851 0.721 -5.988 1.00 0.00 C ATOM 1208 OG SER A 92 -12.274 0.009 -7.064 1.00 0.00 O ATOM 1209 OXT SER A 92 -11.222 -1.909 -4.927 1.00 0.00 O ATOM 0 H SER A 92 -12.643 1.699 -3.643 1.00 0.00 H new ATOM 0 HA SER A 92 -13.486 -0.901 -4.710 1.00 0.00 H new ATOM 0 HB2 SER A 92 -13.896 0.940 -6.209 1.00 0.00 H new ATOM 0 HB3 SER A 92 -12.344 1.678 -5.864 1.00 0.00 H new ATOM 0 HG SER A 92 -12.980 -0.289 -7.675 1.00 0.00 H new TER 1215 SER A 92