USER MOD reduce.3.24.130724 H: found=0, std=0, add=534, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 534 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 68 HIS : no HD1:sc= -0.247 X(o=-0.25,f=-0.031) USER MOD Set 1.2: A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 26 LYS NZ :NH3+ -153:sc= -1.07 (180deg=-1.65) USER MOD Set 2.2: A 51 LYS NZ :NH3+ -155:sc= -0.0262 (180deg=0.447) USER MOD Single : A 1 ILE N :NH3+ -163:sc= -1.24 (180deg=-1.44!) USER MOD Single : A 4 HIS : no HD1:sc= -3.71! K(o=-3.7!,f=-0.72) USER MOD Single : A 5 THR OG1 : rot -120:sc= -1.93 USER MOD Single : A 6 THR OG1 : rot -59:sc= 0.193 USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot 120:sc= -2.29! USER MOD Single : A 15 THR OG1 : rot -87:sc= -1.81 USER MOD Single : A 21 ASN : amide:sc= -2.02 K(o=-2,f=-0.58) USER MOD Single : A 24 TYR OH : rot -15:sc= -0.0786 USER MOD Single : A 27 MET CE :methyl -160:sc= -1.39 (180deg=-1.83) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ 150:sc= -0.0912 (180deg=-0.301) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 THR OG1 : rot -54:sc= 0.487 USER MOD Single : A 61 SER OG : rot 180:sc= -0.146 USER MOD Single : A 62 THR OG1 : rot 180:sc= 0.607 USER MOD Single : A 64 LYS NZ :NH3+ -167:sc= -0.1 (180deg=-0.443) USER MOD Single : A 66 ASN : amide:sc= -2.47 K(o=-2.5,f=-5.1!) USER MOD Single : A 71 GLN : amide:sc= -0.962 K(o=-0.96,f=-2.1!) USER MOD ----------------------------------------------------------------- ATOM 1 N ILE A 1 -2.302 13.543 -1.395 1.00 0.00 N ATOM 2 CA ILE A 1 -3.751 13.576 -1.058 1.00 0.00 C ATOM 3 C ILE A 1 -3.966 13.364 0.440 1.00 0.00 C ATOM 4 O ILE A 1 -4.270 14.304 1.173 1.00 0.00 O ATOM 5 CB ILE A 1 -4.540 12.502 -1.841 1.00 0.00 C ATOM 6 CG1 ILE A 1 -3.925 12.282 -3.229 1.00 0.00 C ATOM 7 CG2 ILE A 1 -6.001 12.907 -1.965 1.00 0.00 C ATOM 8 CD1 ILE A 1 -3.030 11.062 -3.312 1.00 0.00 C ATOM 0 H1 ILE A 1 -2.154 13.965 -2.334 1.00 0.00 H new ATOM 0 H2 ILE A 1 -1.768 14.083 -0.684 1.00 0.00 H new ATOM 0 H3 ILE A 1 -1.970 12.558 -1.403 1.00 0.00 H new ATOM 0 HA ILE A 1 -4.122 14.561 -1.342 1.00 0.00 H new ATOM 0 HB ILE A 1 -4.484 11.563 -1.290 1.00 0.00 H new ATOM 0 HG12 ILE A 1 -4.727 12.184 -3.961 1.00 0.00 H new ATOM 0 HG13 ILE A 1 -3.348 13.165 -3.505 1.00 0.00 H new ATOM 0 HG21 ILE A 1 -6.545 12.142 -2.519 1.00 0.00 H new ATOM 0 HG22 ILE A 1 -6.435 13.013 -0.971 1.00 0.00 H new ATOM 0 HG23 ILE A 1 -6.072 13.857 -2.495 1.00 0.00 H new ATOM 0 HD11 ILE A 1 -2.632 10.971 -4.322 1.00 0.00 H new ATOM 0 HD12 ILE A 1 -2.207 11.166 -2.605 1.00 0.00 H new ATOM 0 HD13 ILE A 1 -3.607 10.170 -3.068 1.00 0.00 H new ATOM 22 N VAL A 2 -3.799 12.123 0.885 1.00 0.00 N ATOM 23 CA VAL A 2 -3.966 11.774 2.294 1.00 0.00 C ATOM 24 C VAL A 2 -3.624 10.306 2.494 1.00 0.00 C ATOM 25 O VAL A 2 -4.089 9.454 1.736 1.00 0.00 O ATOM 26 CB VAL A 2 -5.404 12.046 2.776 1.00 0.00 C ATOM 27 CG1 VAL A 2 -6.401 11.246 1.956 1.00 0.00 C ATOM 28 CG2 VAL A 2 -5.545 11.734 4.259 1.00 0.00 C ATOM 0 H VAL A 2 -3.546 11.336 0.287 1.00 0.00 H new ATOM 0 HA VAL A 2 -3.293 12.397 2.883 1.00 0.00 H new ATOM 0 HB VAL A 2 -5.619 13.105 2.634 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -7.411 11.451 2.311 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -6.320 11.530 0.907 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -6.188 10.182 2.061 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -6.568 11.933 4.577 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -5.309 10.684 4.434 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -4.859 12.360 4.829 1.00 0.00 H new ATOM 38 N CYS A 3 -2.784 10.005 3.488 1.00 0.00 N ATOM 39 CA CYS A 3 -2.367 8.626 3.725 1.00 0.00 C ATOM 40 C CYS A 3 -2.009 7.982 2.377 1.00 0.00 C ATOM 41 O CYS A 3 -1.378 8.629 1.540 1.00 0.00 O ATOM 42 CB CYS A 3 -3.467 7.843 4.462 1.00 0.00 C ATOM 43 SG CYS A 3 -2.970 7.171 6.089 1.00 0.00 S ATOM 0 H CYS A 3 -2.386 10.689 4.132 1.00 0.00 H new ATOM 0 HA CYS A 3 -1.487 8.607 4.368 1.00 0.00 H new ATOM 0 HB2 CYS A 3 -4.327 8.497 4.602 1.00 0.00 H new ATOM 0 HB3 CYS A 3 -3.793 7.018 3.828 1.00 0.00 H new ATOM 48 N HIS A 4 -2.426 6.742 2.139 1.00 0.00 N ATOM 49 CA HIS A 4 -2.148 6.101 0.872 1.00 0.00 C ATOM 50 C HIS A 4 -3.337 6.286 -0.053 1.00 0.00 C ATOM 51 O HIS A 4 -3.231 6.049 -1.252 1.00 0.00 O ATOM 52 CB HIS A 4 -1.852 4.606 1.057 1.00 0.00 C ATOM 53 CG HIS A 4 -3.038 3.796 1.491 1.00 0.00 C ATOM 54 ND1 HIS A 4 -3.522 3.807 2.779 1.00 0.00 N ATOM 55 CD2 HIS A 4 -3.836 2.944 0.801 1.00 0.00 C ATOM 56 CE1 HIS A 4 -4.564 3.001 2.867 1.00 0.00 C ATOM 57 NE2 HIS A 4 -4.776 2.466 1.680 1.00 0.00 N ATOM 0 H HIS A 4 -2.951 6.172 2.802 1.00 0.00 H new ATOM 0 HA HIS A 4 -1.263 6.563 0.435 1.00 0.00 H new ATOM 0 HB2 HIS A 4 -1.474 4.202 0.118 1.00 0.00 H new ATOM 0 HB3 HIS A 4 -1.058 4.492 1.795 1.00 0.00 H new ATOM 0 HD2 HIS A 4 -3.748 2.689 -0.245 1.00 0.00 H new ATOM 0 HE1 HIS A 4 -5.144 2.812 3.758 1.00 0.00 H new ATOM 0 HE2 HIS A 4 -5.518 1.804 1.452 1.00 0.00 H new ATOM 66 N THR A 5 -4.477 6.694 0.518 1.00 0.00 N ATOM 67 CA THR A 5 -5.695 6.881 -0.259 1.00 0.00 C ATOM 68 C THR A 5 -6.622 7.934 0.351 1.00 0.00 C ATOM 69 O THR A 5 -6.350 8.478 1.420 1.00 0.00 O ATOM 70 CB THR A 5 -6.412 5.535 -0.362 1.00 0.00 C ATOM 71 OG1 THR A 5 -7.229 5.482 -1.521 1.00 0.00 O ATOM 72 CG2 THR A 5 -7.279 5.209 0.842 1.00 0.00 C ATOM 0 H THR A 5 -4.575 6.899 1.512 1.00 0.00 H new ATOM 0 HA THR A 5 -5.422 7.248 -1.248 1.00 0.00 H new ATOM 0 HB THR A 5 -5.614 4.794 -0.413 1.00 0.00 H new ATOM 0 HG1 THR A 5 -8.161 5.334 -1.258 1.00 0.00 H new ATOM 0 HG21 THR A 5 -7.755 4.239 0.696 1.00 0.00 H new ATOM 0 HG22 THR A 5 -6.660 5.178 1.739 1.00 0.00 H new ATOM 0 HG23 THR A 5 -8.045 5.976 0.957 1.00 0.00 H new ATOM 80 N THR A 6 -7.722 8.205 -0.349 1.00 0.00 N ATOM 81 CA THR A 6 -8.709 9.182 0.099 1.00 0.00 C ATOM 82 C THR A 6 -10.115 8.749 -0.320 1.00 0.00 C ATOM 83 O THR A 6 -10.863 9.526 -0.913 1.00 0.00 O ATOM 84 CB THR A 6 -8.389 10.563 -0.483 1.00 0.00 C ATOM 85 OG1 THR A 6 -9.203 11.558 0.112 1.00 0.00 O ATOM 86 CG2 THR A 6 -8.586 10.645 -1.982 1.00 0.00 C ATOM 0 H THR A 6 -7.952 7.757 -1.236 1.00 0.00 H new ATOM 0 HA THR A 6 -8.671 9.240 1.187 1.00 0.00 H new ATOM 0 HB THR A 6 -7.334 10.730 -0.263 1.00 0.00 H new ATOM 0 HG1 THR A 6 -10.147 11.345 -0.045 1.00 0.00 H new ATOM 0 HG21 THR A 6 -8.342 11.650 -2.327 1.00 0.00 H new ATOM 0 HG22 THR A 6 -7.934 9.924 -2.475 1.00 0.00 H new ATOM 0 HG23 THR A 6 -9.625 10.421 -2.225 1.00 0.00 H new ATOM 94 N ALA A 7 -10.459 7.500 -0.018 1.00 0.00 N ATOM 95 CA ALA A 7 -11.766 6.955 -0.372 1.00 0.00 C ATOM 96 C ALA A 7 -12.903 7.734 0.282 1.00 0.00 C ATOM 97 O ALA A 7 -13.439 7.325 1.310 1.00 0.00 O ATOM 98 CB ALA A 7 -11.847 5.483 0.010 1.00 0.00 C ATOM 0 H ALA A 7 -9.849 6.845 0.472 1.00 0.00 H new ATOM 0 HA ALA A 7 -11.880 7.052 -1.452 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -12.827 5.090 -0.260 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -11.074 4.926 -0.521 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -11.697 5.377 1.084 1.00 0.00 H new ATOM 104 N THR A 8 -13.267 8.851 -0.338 1.00 0.00 N ATOM 105 CA THR A 8 -14.348 9.709 0.146 1.00 0.00 C ATOM 106 C THR A 8 -14.019 10.344 1.503 1.00 0.00 C ATOM 107 O THR A 8 -13.998 11.569 1.619 1.00 0.00 O ATOM 108 CB THR A 8 -15.681 8.933 0.176 1.00 0.00 C ATOM 109 OG1 THR A 8 -16.729 9.738 -0.331 1.00 0.00 O ATOM 110 CG2 THR A 8 -16.114 8.446 1.545 1.00 0.00 C ATOM 0 H THR A 8 -12.822 9.189 -1.191 1.00 0.00 H new ATOM 0 HA THR A 8 -14.458 10.536 -0.556 1.00 0.00 H new ATOM 0 HB THR A 8 -15.491 8.054 -0.439 1.00 0.00 H new ATOM 0 HG1 THR A 8 -17.569 9.234 -0.308 1.00 0.00 H new ATOM 0 HG21 THR A 8 -17.061 7.913 1.459 1.00 0.00 H new ATOM 0 HG22 THR A 8 -15.356 7.775 1.949 1.00 0.00 H new ATOM 0 HG23 THR A 8 -16.237 9.299 2.213 1.00 0.00 H new ATOM 118 N SER A 9 -13.763 9.530 2.528 1.00 0.00 N ATOM 119 CA SER A 9 -13.443 10.070 3.847 1.00 0.00 C ATOM 120 C SER A 9 -13.042 8.976 4.841 1.00 0.00 C ATOM 121 O SER A 9 -11.945 9.017 5.397 1.00 0.00 O ATOM 122 CB SER A 9 -14.626 10.871 4.395 1.00 0.00 C ATOM 123 OG SER A 9 -14.238 12.191 4.730 1.00 0.00 O ATOM 0 H SER A 9 -13.771 8.512 2.472 1.00 0.00 H new ATOM 0 HA SER A 9 -12.584 10.729 3.724 1.00 0.00 H new ATOM 0 HB2 SER A 9 -15.424 10.901 3.653 1.00 0.00 H new ATOM 0 HB3 SER A 9 -15.029 10.373 5.277 1.00 0.00 H new ATOM 0 HG SER A 9 -15.013 12.682 5.076 1.00 0.00 H new ATOM 129 N PRO A 10 -13.920 7.986 5.094 1.00 0.00 N ATOM 130 CA PRO A 10 -13.629 6.904 6.040 1.00 0.00 C ATOM 131 C PRO A 10 -12.564 5.946 5.526 1.00 0.00 C ATOM 132 O PRO A 10 -12.869 4.932 4.898 1.00 0.00 O ATOM 133 CB PRO A 10 -14.965 6.175 6.199 1.00 0.00 C ATOM 134 CG PRO A 10 -15.986 7.058 5.559 1.00 0.00 C ATOM 135 CD PRO A 10 -15.255 7.836 4.505 1.00 0.00 C ATOM 0 HA PRO A 10 -13.233 7.296 6.977 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -14.937 5.197 5.719 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -15.197 6.007 7.251 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -16.792 6.469 5.121 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -16.440 7.725 6.292 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -15.222 7.302 3.555 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -15.725 8.800 4.313 1.00 0.00 H new ATOM 143 N ILE A 11 -11.315 6.277 5.808 1.00 0.00 N ATOM 144 CA ILE A 11 -10.181 5.458 5.393 1.00 0.00 C ATOM 145 C ILE A 11 -8.857 6.062 5.880 1.00 0.00 C ATOM 146 O ILE A 11 -8.469 5.859 7.032 1.00 0.00 O ATOM 147 CB ILE A 11 -10.139 5.244 3.856 1.00 0.00 C ATOM 148 CG1 ILE A 11 -10.893 6.351 3.099 1.00 0.00 C ATOM 149 CG2 ILE A 11 -10.723 3.885 3.505 1.00 0.00 C ATOM 150 CD1 ILE A 11 -10.476 7.761 3.465 1.00 0.00 C ATOM 0 H ILE A 11 -11.056 7.115 6.328 1.00 0.00 H new ATOM 0 HA ILE A 11 -10.316 4.481 5.857 1.00 0.00 H new ATOM 0 HB ILE A 11 -9.095 5.286 3.546 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -10.743 6.208 2.029 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -11.961 6.241 3.289 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -10.690 3.743 2.425 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -10.141 3.102 3.992 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -11.757 3.834 3.846 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -11.059 8.475 2.883 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -10.652 7.928 4.528 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -9.416 7.895 3.248 1.00 0.00 H new ATOM 162 N SER A 12 -8.169 6.801 5.007 1.00 0.00 N ATOM 163 CA SER A 12 -6.893 7.434 5.343 1.00 0.00 C ATOM 164 C SER A 12 -6.878 7.980 6.775 1.00 0.00 C ATOM 165 O SER A 12 -6.433 7.301 7.701 1.00 0.00 O ATOM 166 CB SER A 12 -6.608 8.562 4.351 1.00 0.00 C ATOM 167 OG SER A 12 -7.809 9.042 3.774 1.00 0.00 O ATOM 0 H SER A 12 -8.479 6.977 4.051 1.00 0.00 H new ATOM 0 HA SER A 12 -6.115 6.673 5.279 1.00 0.00 H new ATOM 0 HB2 SER A 12 -6.093 9.377 4.859 1.00 0.00 H new ATOM 0 HB3 SER A 12 -5.941 8.203 3.567 1.00 0.00 H new ATOM 0 HG SER A 12 -7.915 9.994 3.983 1.00 0.00 H new ATOM 173 N ALA A 13 -7.362 9.210 6.951 1.00 0.00 N ATOM 174 CA ALA A 13 -7.400 9.846 8.266 1.00 0.00 C ATOM 175 C ALA A 13 -6.007 10.297 8.704 1.00 0.00 C ATOM 176 O ALA A 13 -5.369 9.646 9.529 1.00 0.00 O ATOM 177 CB ALA A 13 -8.001 8.902 9.300 1.00 0.00 C ATOM 0 H ALA A 13 -7.734 9.786 6.196 1.00 0.00 H new ATOM 0 HA ALA A 13 -8.032 10.731 8.190 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -8.021 9.393 10.273 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -9.017 8.639 9.005 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -7.396 7.998 9.362 1.00 0.00 H new ATOM 183 N VAL A 14 -5.555 11.422 8.143 1.00 0.00 N ATOM 184 CA VAL A 14 -4.243 11.998 8.457 1.00 0.00 C ATOM 185 C VAL A 14 -3.114 10.972 8.346 1.00 0.00 C ATOM 186 O VAL A 14 -3.342 9.765 8.419 1.00 0.00 O ATOM 187 CB VAL A 14 -4.220 12.638 9.863 1.00 0.00 C ATOM 188 CG1 VAL A 14 -4.373 11.587 10.952 1.00 0.00 C ATOM 189 CG2 VAL A 14 -2.940 13.436 10.063 1.00 0.00 C ATOM 0 H VAL A 14 -6.087 11.959 7.459 1.00 0.00 H new ATOM 0 HA VAL A 14 -4.074 12.775 7.711 1.00 0.00 H new ATOM 0 HB VAL A 14 -5.069 13.317 9.936 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -4.353 12.070 11.929 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -5.322 11.066 10.824 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -3.554 10.871 10.884 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -2.940 13.880 11.058 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -2.079 12.775 9.961 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -2.882 14.225 9.314 1.00 0.00 H new ATOM 199 N THR A 15 -1.891 11.466 8.163 1.00 0.00 N ATOM 200 CA THR A 15 -0.726 10.600 8.040 1.00 0.00 C ATOM 201 C THR A 15 0.575 11.386 8.218 1.00 0.00 C ATOM 202 O THR A 15 0.574 12.491 8.762 1.00 0.00 O ATOM 203 CB THR A 15 -0.728 9.893 6.687 1.00 0.00 C ATOM 204 OG1 THR A 15 -2.016 9.933 6.095 1.00 0.00 O ATOM 205 CG2 THR A 15 -0.308 8.445 6.782 1.00 0.00 C ATOM 0 H THR A 15 -1.684 12.463 8.097 1.00 0.00 H new ATOM 0 HA THR A 15 -0.783 9.854 8.833 1.00 0.00 H new ATOM 0 HB THR A 15 -0.004 10.431 6.075 1.00 0.00 H new ATOM 0 HG1 THR A 15 -2.543 9.168 6.406 1.00 0.00 H new ATOM 0 HG21 THR A 15 -0.329 7.994 5.790 1.00 0.00 H new ATOM 0 HG22 THR A 15 0.702 8.385 7.187 1.00 0.00 H new ATOM 0 HG23 THR A 15 -0.994 7.909 7.438 1.00 0.00 H new ATOM 213 N CYS A 16 1.680 10.803 7.753 1.00 0.00 N ATOM 214 CA CYS A 16 2.992 11.430 7.850 1.00 0.00 C ATOM 215 C CYS A 16 3.016 12.742 7.022 1.00 0.00 C ATOM 216 O CYS A 16 2.132 13.574 7.222 1.00 0.00 O ATOM 217 CB CYS A 16 4.054 10.402 7.433 1.00 0.00 C ATOM 218 SG CYS A 16 3.858 8.776 8.240 1.00 0.00 S ATOM 0 H CYS A 16 1.688 9.888 7.302 1.00 0.00 H new ATOM 0 HA CYS A 16 3.219 11.728 8.874 1.00 0.00 H new ATOM 0 HB2 CYS A 16 4.013 10.269 6.352 1.00 0.00 H new ATOM 0 HB3 CYS A 16 5.042 10.798 7.668 1.00 0.00 H new ATOM 223 N PRO A 17 3.988 12.995 6.095 1.00 0.00 N ATOM 224 CA PRO A 17 3.999 14.249 5.317 1.00 0.00 C ATOM 225 C PRO A 17 2.620 14.626 4.762 1.00 0.00 C ATOM 226 O PRO A 17 1.643 13.903 4.953 1.00 0.00 O ATOM 227 CB PRO A 17 4.966 13.944 4.177 1.00 0.00 C ATOM 228 CG PRO A 17 5.926 12.971 4.758 1.00 0.00 C ATOM 229 CD PRO A 17 5.136 12.133 5.727 1.00 0.00 C ATOM 0 HA PRO A 17 4.288 15.100 5.933 1.00 0.00 H new ATOM 0 HB2 PRO A 17 4.446 13.524 3.316 1.00 0.00 H new ATOM 0 HB3 PRO A 17 5.473 14.846 3.834 1.00 0.00 H new ATOM 0 HG2 PRO A 17 6.372 12.351 3.980 1.00 0.00 H new ATOM 0 HG3 PRO A 17 6.744 13.485 5.264 1.00 0.00 H new ATOM 0 HD2 PRO A 17 4.804 11.201 5.270 1.00 0.00 H new ATOM 0 HD3 PRO A 17 5.731 11.866 6.601 1.00 0.00 H new ATOM 237 N PRO A 18 2.522 15.778 4.072 1.00 0.00 N ATOM 238 CA PRO A 18 1.256 16.251 3.508 1.00 0.00 C ATOM 239 C PRO A 18 0.867 15.541 2.205 1.00 0.00 C ATOM 240 O PRO A 18 0.089 14.587 2.226 1.00 0.00 O ATOM 241 CB PRO A 18 1.513 17.741 3.270 1.00 0.00 C ATOM 242 CG PRO A 18 2.990 17.869 3.086 1.00 0.00 C ATOM 243 CD PRO A 18 3.633 16.711 3.808 1.00 0.00 C ATOM 0 HA PRO A 18 0.418 16.049 4.175 1.00 0.00 H new ATOM 0 HB2 PRO A 18 0.976 18.096 2.390 1.00 0.00 H new ATOM 0 HB3 PRO A 18 1.170 18.338 4.115 1.00 0.00 H new ATOM 0 HG2 PRO A 18 3.248 17.853 2.027 1.00 0.00 H new ATOM 0 HG3 PRO A 18 3.347 18.818 3.487 1.00 0.00 H new ATOM 0 HD2 PRO A 18 4.407 16.244 3.199 1.00 0.00 H new ATOM 0 HD3 PRO A 18 4.108 17.035 4.734 1.00 0.00 H new ATOM 251 N GLY A 19 1.394 16.014 1.075 1.00 0.00 N ATOM 252 CA GLY A 19 1.071 15.411 -0.209 1.00 0.00 C ATOM 253 C GLY A 19 1.491 13.957 -0.301 1.00 0.00 C ATOM 254 O GLY A 19 1.093 13.135 0.522 1.00 0.00 O ATOM 0 H GLY A 19 2.038 16.803 1.027 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -0.003 15.485 -0.379 1.00 0.00 H new ATOM 0 HA3 GLY A 19 1.559 15.976 -1.003 1.00 0.00 H new ATOM 258 N GLU A 20 2.302 13.639 -1.310 1.00 0.00 N ATOM 259 CA GLU A 20 2.782 12.273 -1.508 1.00 0.00 C ATOM 260 C GLU A 20 3.435 11.744 -0.235 1.00 0.00 C ATOM 261 O GLU A 20 3.427 12.419 0.792 1.00 0.00 O ATOM 262 CB GLU A 20 3.777 12.223 -2.668 1.00 0.00 C ATOM 263 CG GLU A 20 4.890 13.253 -2.561 1.00 0.00 C ATOM 264 CD GLU A 20 5.966 13.058 -3.611 1.00 0.00 C ATOM 265 OE1 GLU A 20 5.686 12.394 -4.632 1.00 0.00 O ATOM 266 OE2 GLU A 20 7.089 13.569 -3.414 1.00 0.00 O ATOM 0 H GLU A 20 2.640 14.308 -2.002 1.00 0.00 H new ATOM 0 HA GLU A 20 1.927 11.641 -1.749 1.00 0.00 H new ATOM 0 HB2 GLU A 20 4.218 11.227 -2.714 1.00 0.00 H new ATOM 0 HB3 GLU A 20 3.239 12.377 -3.604 1.00 0.00 H new ATOM 0 HG2 GLU A 20 4.466 14.252 -2.661 1.00 0.00 H new ATOM 0 HG3 GLU A 20 5.340 13.195 -1.570 1.00 0.00 H new ATOM 273 N ASN A 21 3.997 10.536 -0.305 1.00 0.00 N ATOM 274 CA ASN A 21 4.649 9.922 0.850 1.00 0.00 C ATOM 275 C ASN A 21 3.604 9.351 1.815 1.00 0.00 C ATOM 276 O ASN A 21 2.512 8.973 1.391 1.00 0.00 O ATOM 277 CB ASN A 21 5.559 10.939 1.557 1.00 0.00 C ATOM 278 CG ASN A 21 6.518 11.621 0.599 1.00 0.00 C ATOM 279 OD1 ASN A 21 6.739 12.829 0.681 1.00 0.00 O ATOM 280 ND2 ASN A 21 7.092 10.848 -0.315 1.00 0.00 N ATOM 0 H ASN A 21 4.013 9.965 -1.150 1.00 0.00 H new ATOM 0 HA ASN A 21 5.272 9.098 0.502 1.00 0.00 H new ATOM 0 HB2 ASN A 21 4.944 11.693 2.049 1.00 0.00 H new ATOM 0 HB3 ASN A 21 6.128 10.433 2.337 1.00 0.00 H new ATOM 0 HD21 ASN A 21 7.746 11.251 -0.986 1.00 0.00 H new ATOM 0 HD22 ASN A 21 6.879 9.851 -0.346 1.00 0.00 H new ATOM 287 N LEU A 22 3.946 9.282 3.106 1.00 0.00 N ATOM 288 CA LEU A 22 3.045 8.751 4.136 1.00 0.00 C ATOM 289 C LEU A 22 2.349 7.466 3.688 1.00 0.00 C ATOM 290 O LEU A 22 2.578 6.972 2.587 1.00 0.00 O ATOM 291 CB LEU A 22 1.989 9.790 4.550 1.00 0.00 C ATOM 292 CG LEU A 22 1.536 10.765 3.462 1.00 0.00 C ATOM 293 CD1 LEU A 22 0.154 11.311 3.778 1.00 0.00 C ATOM 294 CD2 LEU A 22 2.534 11.900 3.324 1.00 0.00 C ATOM 0 H LEU A 22 4.849 9.590 3.465 1.00 0.00 H new ATOM 0 HA LEU A 22 3.672 8.518 4.997 1.00 0.00 H new ATOM 0 HB2 LEU A 22 1.112 9.258 4.920 1.00 0.00 H new ATOM 0 HB3 LEU A 22 2.386 10.368 5.384 1.00 0.00 H new ATOM 0 HG LEU A 22 1.486 10.228 2.515 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -0.152 12.003 2.993 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -0.558 10.488 3.834 1.00 0.00 H new ATOM 0 HD13 LEU A 22 0.179 11.835 4.734 1.00 0.00 H new ATOM 0 HD21 LEU A 22 2.199 12.586 2.546 1.00 0.00 H new ATOM 0 HD22 LEU A 22 2.611 12.434 4.271 1.00 0.00 H new ATOM 0 HD23 LEU A 22 3.510 11.496 3.055 1.00 0.00 H new ATOM 306 N CYS A 23 1.496 6.944 4.576 1.00 0.00 N ATOM 307 CA CYS A 23 0.720 5.717 4.342 1.00 0.00 C ATOM 308 C CYS A 23 1.130 4.985 3.067 1.00 0.00 C ATOM 309 O CYS A 23 0.855 5.440 1.957 1.00 0.00 O ATOM 310 CB CYS A 23 -0.763 6.055 4.263 1.00 0.00 C ATOM 311 SG CYS A 23 -1.760 5.571 5.709 1.00 0.00 S ATOM 0 H CYS A 23 1.322 7.365 5.489 1.00 0.00 H new ATOM 0 HA CYS A 23 0.924 5.052 5.181 1.00 0.00 H new ATOM 0 HB2 CYS A 23 -0.865 7.130 4.118 1.00 0.00 H new ATOM 0 HB3 CYS A 23 -1.180 5.573 3.379 1.00 0.00 H new ATOM 316 N TYR A 24 1.757 3.836 3.246 1.00 0.00 N ATOM 317 CA TYR A 24 2.190 3.002 2.134 1.00 0.00 C ATOM 318 C TYR A 24 1.579 1.618 2.282 1.00 0.00 C ATOM 319 O TYR A 24 0.856 1.356 3.242 1.00 0.00 O ATOM 320 CB TYR A 24 3.719 2.896 2.105 1.00 0.00 C ATOM 321 CG TYR A 24 4.421 4.020 1.365 1.00 0.00 C ATOM 322 CD1 TYR A 24 3.726 5.132 0.904 1.00 0.00 C ATOM 323 CD2 TYR A 24 5.789 3.963 1.132 1.00 0.00 C ATOM 324 CE1 TYR A 24 4.373 6.153 0.233 1.00 0.00 C ATOM 325 CE2 TYR A 24 6.443 4.980 0.461 1.00 0.00 C ATOM 326 CZ TYR A 24 5.731 6.072 0.015 1.00 0.00 C ATOM 327 OH TYR A 24 6.379 7.086 -0.653 1.00 0.00 O ATOM 0 H TYR A 24 1.981 3.453 4.164 1.00 0.00 H new ATOM 0 HA TYR A 24 1.859 3.454 1.199 1.00 0.00 H new ATOM 0 HB2 TYR A 24 4.087 2.870 3.131 1.00 0.00 H new ATOM 0 HB3 TYR A 24 3.995 1.948 1.643 1.00 0.00 H new ATOM 0 HD1 TYR A 24 2.661 5.200 1.073 1.00 0.00 H new ATOM 0 HD2 TYR A 24 6.352 3.110 1.481 1.00 0.00 H new ATOM 0 HE1 TYR A 24 3.817 7.010 -0.118 1.00 0.00 H new ATOM 0 HE2 TYR A 24 7.507 4.919 0.287 1.00 0.00 H new ATOM 0 HH TYR A 24 5.720 7.653 -1.106 1.00 0.00 H new ATOM 337 N ARG A 25 1.867 0.729 1.342 1.00 0.00 N ATOM 338 CA ARG A 25 1.332 -0.624 1.404 1.00 0.00 C ATOM 339 C ARG A 25 2.310 -1.625 0.798 1.00 0.00 C ATOM 340 O ARG A 25 1.906 -2.597 0.166 1.00 0.00 O ATOM 341 CB ARG A 25 -0.020 -0.712 0.684 1.00 0.00 C ATOM 342 CG ARG A 25 -0.900 0.523 0.846 1.00 0.00 C ATOM 343 CD ARG A 25 -1.612 0.523 2.191 1.00 0.00 C ATOM 344 NE ARG A 25 -2.830 -0.283 2.164 1.00 0.00 N ATOM 345 CZ ARG A 25 -3.418 -0.778 3.251 1.00 0.00 C ATOM 346 NH1 ARG A 25 -2.908 -0.544 4.454 1.00 0.00 N ATOM 347 NH2 ARG A 25 -4.519 -1.506 3.135 1.00 0.00 N ATOM 0 H ARG A 25 2.462 0.917 0.535 1.00 0.00 H new ATOM 0 HA ARG A 25 1.185 -0.873 2.455 1.00 0.00 H new ATOM 0 HB2 ARG A 25 0.158 -0.880 -0.378 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -0.561 -1.581 1.058 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -0.289 1.421 0.755 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -1.636 0.555 0.043 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -0.939 0.138 2.958 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -1.861 1.547 2.470 1.00 0.00 H new ATOM 0 HE ARG A 25 -3.256 -0.478 1.258 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -2.062 0.017 4.549 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -3.362 -0.926 5.284 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -4.916 -1.687 2.213 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -4.970 -1.885 3.968 1.00 0.00 H new ATOM 361 N LYS A 26 3.594 -1.368 1.010 1.00 0.00 N ATOM 362 CA LYS A 26 4.679 -2.228 0.515 1.00 0.00 C ATOM 363 C LYS A 26 4.282 -3.709 0.519 1.00 0.00 C ATOM 364 O LYS A 26 3.411 -4.121 1.285 1.00 0.00 O ATOM 365 CB LYS A 26 5.916 -2.029 1.393 1.00 0.00 C ATOM 366 CG LYS A 26 7.221 -2.409 0.720 1.00 0.00 C ATOM 367 CD LYS A 26 8.259 -2.855 1.736 1.00 0.00 C ATOM 368 CE LYS A 26 8.773 -1.683 2.557 1.00 0.00 C ATOM 369 NZ LYS A 26 8.936 -2.040 3.993 1.00 0.00 N ATOM 0 H LYS A 26 3.921 -0.555 1.532 1.00 0.00 H new ATOM 0 HA LYS A 26 4.892 -1.945 -0.516 1.00 0.00 H new ATOM 0 HB2 LYS A 26 5.968 -0.984 1.698 1.00 0.00 H new ATOM 0 HB3 LYS A 26 5.802 -2.621 2.301 1.00 0.00 H new ATOM 0 HG2 LYS A 26 7.043 -3.211 0.004 1.00 0.00 H new ATOM 0 HG3 LYS A 26 7.603 -1.558 0.157 1.00 0.00 H new ATOM 0 HD2 LYS A 26 7.823 -3.602 2.399 1.00 0.00 H new ATOM 0 HD3 LYS A 26 9.092 -3.333 1.221 1.00 0.00 H new ATOM 0 HE2 LYS A 26 9.730 -1.350 2.155 1.00 0.00 H new ATOM 0 HE3 LYS A 26 8.081 -0.846 2.467 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 8.835 -1.185 4.577 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 8.208 -2.732 4.263 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 9.879 -2.452 4.143 1.00 0.00 H new ATOM 383 N MET A 27 4.921 -4.510 -0.340 1.00 0.00 N ATOM 384 CA MET A 27 4.612 -5.935 -0.417 1.00 0.00 C ATOM 385 C MET A 27 5.641 -6.772 0.347 1.00 0.00 C ATOM 386 O MET A 27 6.519 -6.232 1.020 1.00 0.00 O ATOM 387 CB MET A 27 4.543 -6.384 -1.883 1.00 0.00 C ATOM 388 CG MET A 27 5.882 -6.741 -2.508 1.00 0.00 C ATOM 389 SD MET A 27 5.693 -7.518 -4.124 1.00 0.00 S ATOM 390 CE MET A 27 5.056 -6.148 -5.085 1.00 0.00 C ATOM 0 H MET A 27 5.647 -4.197 -0.984 1.00 0.00 H new ATOM 0 HA MET A 27 3.640 -6.093 0.050 1.00 0.00 H new ATOM 0 HB2 MET A 27 3.884 -7.250 -1.952 1.00 0.00 H new ATOM 0 HB3 MET A 27 4.085 -5.588 -2.470 1.00 0.00 H new ATOM 0 HG2 MET A 27 6.486 -5.839 -2.609 1.00 0.00 H new ATOM 0 HG3 MET A 27 6.423 -7.415 -1.844 1.00 0.00 H new ATOM 0 HE1 MET A 27 4.561 -6.529 -5.978 1.00 0.00 H new ATOM 0 HE2 MET A 27 4.340 -5.585 -4.486 1.00 0.00 H new ATOM 0 HE3 MET A 27 5.878 -5.495 -5.377 1.00 0.00 H new ATOM 400 N TRP A 28 5.531 -8.094 0.221 1.00 0.00 N ATOM 401 CA TRP A 28 6.451 -9.024 0.879 1.00 0.00 C ATOM 402 C TRP A 28 6.128 -9.180 2.364 1.00 0.00 C ATOM 403 O TRP A 28 5.604 -8.263 2.999 1.00 0.00 O ATOM 404 CB TRP A 28 7.911 -8.572 0.661 1.00 0.00 C ATOM 405 CG TRP A 28 8.684 -8.243 1.911 1.00 0.00 C ATOM 406 CD1 TRP A 28 8.304 -7.409 2.925 1.00 0.00 C ATOM 407 CD2 TRP A 28 9.985 -8.730 2.260 1.00 0.00 C ATOM 408 NE1 TRP A 28 9.284 -7.359 3.887 1.00 0.00 N ATOM 409 CE2 TRP A 28 10.326 -8.161 3.501 1.00 0.00 C ATOM 410 CE3 TRP A 28 10.891 -9.598 1.645 1.00 0.00 C ATOM 411 CZ2 TRP A 28 11.537 -8.429 4.136 1.00 0.00 C ATOM 412 CZ3 TRP A 28 12.093 -9.863 2.276 1.00 0.00 C ATOM 413 CH2 TRP A 28 12.405 -9.281 3.510 1.00 0.00 C ATOM 0 H TRP A 28 4.807 -8.549 -0.336 1.00 0.00 H new ATOM 0 HA TRP A 28 6.325 -10.007 0.425 1.00 0.00 H new ATOM 0 HB2 TRP A 28 8.440 -9.360 0.125 1.00 0.00 H new ATOM 0 HB3 TRP A 28 7.908 -7.694 0.015 1.00 0.00 H new ATOM 0 HD1 TRP A 28 7.370 -6.868 2.964 1.00 0.00 H new ATOM 0 HE1 TRP A 28 9.243 -6.814 4.748 1.00 0.00 H new ATOM 0 HE3 TRP A 28 10.657 -10.054 0.694 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 11.781 -7.980 5.088 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 12.802 -10.530 1.809 1.00 0.00 H new ATOM 0 HH2 TRP A 28 13.351 -9.509 3.978 1.00 0.00 H new ATOM 424 N CYS A 29 6.450 -10.351 2.906 1.00 0.00 N ATOM 425 CA CYS A 29 6.205 -10.644 4.315 1.00 0.00 C ATOM 426 C CYS A 29 7.523 -10.864 5.052 1.00 0.00 C ATOM 427 O CYS A 29 7.876 -10.107 5.955 1.00 0.00 O ATOM 428 CB CYS A 29 5.316 -11.885 4.450 1.00 0.00 C ATOM 429 SG CYS A 29 3.940 -11.694 5.630 1.00 0.00 S ATOM 0 H CYS A 29 6.883 -11.116 2.388 1.00 0.00 H new ATOM 0 HA CYS A 29 5.694 -9.791 4.761 1.00 0.00 H new ATOM 0 HB2 CYS A 29 4.908 -12.134 3.470 1.00 0.00 H new ATOM 0 HB3 CYS A 29 5.933 -12.728 4.762 1.00 0.00 H new ATOM 434 N ASP A 30 8.248 -11.906 4.654 1.00 0.00 N ATOM 435 CA ASP A 30 9.532 -12.231 5.267 1.00 0.00 C ATOM 436 C ASP A 30 9.386 -12.467 6.766 1.00 0.00 C ATOM 437 O ASP A 30 9.493 -11.535 7.564 1.00 0.00 O ATOM 438 CB ASP A 30 10.541 -11.112 5.014 1.00 0.00 C ATOM 439 CG ASP A 30 11.940 -11.483 5.466 1.00 0.00 C ATOM 440 OD1 ASP A 30 12.319 -12.664 5.313 1.00 0.00 O ATOM 441 OD2 ASP A 30 12.655 -10.595 5.975 1.00 0.00 O ATOM 0 H ASP A 30 7.967 -12.541 3.907 1.00 0.00 H new ATOM 0 HA ASP A 30 9.894 -13.152 4.810 1.00 0.00 H new ATOM 0 HB2 ASP A 30 10.557 -10.874 3.950 1.00 0.00 H new ATOM 0 HB3 ASP A 30 10.220 -10.211 5.537 1.00 0.00 H new ATOM 446 N ALA A 31 9.145 -13.721 7.140 1.00 0.00 N ATOM 447 CA ALA A 31 8.987 -14.094 8.544 1.00 0.00 C ATOM 448 C ALA A 31 8.435 -15.509 8.667 1.00 0.00 C ATOM 449 O ALA A 31 9.177 -16.457 8.927 1.00 0.00 O ATOM 450 CB ALA A 31 8.073 -13.108 9.262 1.00 0.00 C ATOM 0 H ALA A 31 9.054 -14.500 6.487 1.00 0.00 H new ATOM 0 HA ALA A 31 9.970 -14.064 9.015 1.00 0.00 H new ATOM 0 HB1 ALA A 31 7.968 -13.403 10.306 1.00 0.00 H new ATOM 0 HB2 ALA A 31 8.503 -12.108 9.209 1.00 0.00 H new ATOM 0 HB3 ALA A 31 7.093 -13.107 8.785 1.00 0.00 H new ATOM 456 N PHE A 32 7.127 -15.643 8.477 1.00 0.00 N ATOM 457 CA PHE A 32 6.467 -16.939 8.562 1.00 0.00 C ATOM 458 C PHE A 32 5.024 -16.838 8.073 1.00 0.00 C ATOM 459 O PHE A 32 4.136 -17.525 8.577 1.00 0.00 O ATOM 460 CB PHE A 32 6.505 -17.461 10.001 1.00 0.00 C ATOM 461 CG PHE A 32 7.402 -18.653 10.182 1.00 0.00 C ATOM 462 CD1 PHE A 32 6.960 -19.925 9.852 1.00 0.00 C ATOM 463 CD2 PHE A 32 8.686 -18.502 10.679 1.00 0.00 C ATOM 464 CE1 PHE A 32 7.782 -21.024 10.016 1.00 0.00 C ATOM 465 CE2 PHE A 32 9.513 -19.597 10.846 1.00 0.00 C ATOM 466 CZ PHE A 32 9.061 -20.859 10.513 1.00 0.00 C ATOM 0 H PHE A 32 6.502 -14.866 8.262 1.00 0.00 H new ATOM 0 HA PHE A 32 7.000 -17.641 7.921 1.00 0.00 H new ATOM 0 HB2 PHE A 32 6.840 -16.661 10.661 1.00 0.00 H new ATOM 0 HB3 PHE A 32 5.494 -17.727 10.310 1.00 0.00 H new ATOM 0 HD1 PHE A 32 5.962 -20.059 9.462 1.00 0.00 H new ATOM 0 HD2 PHE A 32 9.045 -17.517 10.939 1.00 0.00 H new ATOM 0 HE1 PHE A 32 7.425 -22.010 9.756 1.00 0.00 H new ATOM 0 HE2 PHE A 32 10.511 -19.466 11.236 1.00 0.00 H new ATOM 0 HZ PHE A 32 9.706 -21.716 10.641 1.00 0.00 H new ATOM 476 N CYS A 33 4.802 -15.974 7.087 1.00 0.00 N ATOM 477 CA CYS A 33 3.470 -15.778 6.525 1.00 0.00 C ATOM 478 C CYS A 33 3.461 -16.087 5.029 1.00 0.00 C ATOM 479 O CYS A 33 3.185 -17.217 4.626 1.00 0.00 O ATOM 480 CB CYS A 33 2.978 -14.342 6.777 1.00 0.00 C ATOM 481 SG CYS A 33 4.305 -13.116 7.033 1.00 0.00 S ATOM 0 H CYS A 33 5.528 -15.398 6.661 1.00 0.00 H new ATOM 0 HA CYS A 33 2.790 -16.469 7.023 1.00 0.00 H new ATOM 0 HB2 CYS A 33 2.369 -14.027 5.929 1.00 0.00 H new ATOM 0 HB3 CYS A 33 2.329 -14.343 7.653 1.00 0.00 H new ATOM 486 N SER A 34 3.766 -15.083 4.207 1.00 0.00 N ATOM 487 CA SER A 34 3.792 -15.256 2.756 1.00 0.00 C ATOM 488 C SER A 34 2.553 -16.006 2.267 1.00 0.00 C ATOM 489 O SER A 34 2.600 -16.715 1.262 1.00 0.00 O ATOM 490 CB SER A 34 5.059 -16.006 2.337 1.00 0.00 C ATOM 491 OG SER A 34 6.031 -15.115 1.818 1.00 0.00 O ATOM 0 H SER A 34 3.999 -14.141 4.522 1.00 0.00 H new ATOM 0 HA SER A 34 3.793 -14.267 2.298 1.00 0.00 H new ATOM 0 HB2 SER A 34 5.470 -16.539 3.194 1.00 0.00 H new ATOM 0 HB3 SER A 34 4.810 -16.755 1.586 1.00 0.00 H new ATOM 0 HG SER A 34 6.831 -15.618 1.559 1.00 0.00 H new ATOM 497 N SER A 35 1.449 -15.848 2.991 1.00 0.00 N ATOM 498 CA SER A 35 0.201 -16.513 2.636 1.00 0.00 C ATOM 499 C SER A 35 -0.920 -15.497 2.437 1.00 0.00 C ATOM 500 O SER A 35 -1.707 -15.603 1.498 1.00 0.00 O ATOM 501 CB SER A 35 -0.190 -17.515 3.723 1.00 0.00 C ATOM 502 OG SER A 35 -1.236 -18.363 3.282 1.00 0.00 O ATOM 0 H SER A 35 1.394 -15.265 3.826 1.00 0.00 H new ATOM 0 HA SER A 35 0.354 -17.045 1.697 1.00 0.00 H new ATOM 0 HB2 SER A 35 0.677 -18.115 3.998 1.00 0.00 H new ATOM 0 HB3 SER A 35 -0.505 -16.980 4.619 1.00 0.00 H new ATOM 0 HG SER A 35 -1.467 -18.995 3.994 1.00 0.00 H new ATOM 508 N ARG A 36 -0.985 -14.514 3.329 1.00 0.00 N ATOM 509 CA ARG A 36 -2.011 -13.478 3.254 1.00 0.00 C ATOM 510 C ARG A 36 -1.971 -12.768 1.903 1.00 0.00 C ATOM 511 O ARG A 36 -2.992 -12.292 1.410 1.00 0.00 O ATOM 512 CB ARG A 36 -1.821 -12.462 4.380 1.00 0.00 C ATOM 513 CG ARG A 36 -2.359 -12.931 5.721 1.00 0.00 C ATOM 514 CD ARG A 36 -2.473 -11.782 6.710 1.00 0.00 C ATOM 515 NE ARG A 36 -1.260 -10.968 6.744 1.00 0.00 N ATOM 516 CZ ARG A 36 -1.136 -9.853 7.462 1.00 0.00 C ATOM 517 NH1 ARG A 36 -2.145 -9.416 8.203 1.00 0.00 N ATOM 518 NH2 ARG A 36 0.003 -9.173 7.436 1.00 0.00 N ATOM 0 H ARG A 36 -0.340 -14.412 4.112 1.00 0.00 H new ATOM 0 HA ARG A 36 -2.984 -13.957 3.364 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -0.759 -12.240 4.482 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -2.316 -11.531 4.105 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -3.338 -13.390 5.581 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -1.702 -13.699 6.129 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -3.323 -11.155 6.441 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -2.672 -12.179 7.706 1.00 0.00 H new ATOM 0 HE ARG A 36 -0.462 -11.271 6.186 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -3.023 -9.934 8.226 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -2.043 -8.561 8.750 1.00 0.00 H new ATOM 0 HH21 ARG A 36 0.782 -9.504 6.867 1.00 0.00 H new ATOM 0 HH22 ARG A 36 0.100 -8.319 7.985 1.00 0.00 H new ATOM 532 N GLY A 37 -0.782 -12.701 1.311 1.00 0.00 N ATOM 533 CA GLY A 37 -0.629 -12.048 0.025 1.00 0.00 C ATOM 534 C GLY A 37 0.498 -11.035 0.023 1.00 0.00 C ATOM 535 O GLY A 37 0.428 -10.016 0.710 1.00 0.00 O ATOM 0 H GLY A 37 0.078 -13.088 1.700 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -0.440 -12.800 -0.741 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -1.562 -11.550 -0.240 1.00 0.00 H new ATOM 539 N LYS A 38 1.540 -11.315 -0.752 1.00 0.00 N ATOM 540 CA LYS A 38 2.688 -10.420 -0.842 1.00 0.00 C ATOM 541 C LYS A 38 2.341 -9.174 -1.647 1.00 0.00 C ATOM 542 O LYS A 38 2.602 -9.109 -2.849 1.00 0.00 O ATOM 543 CB LYS A 38 3.876 -11.137 -1.487 1.00 0.00 C ATOM 544 CG LYS A 38 4.129 -12.530 -0.933 1.00 0.00 C ATOM 545 CD LYS A 38 4.721 -13.450 -1.990 1.00 0.00 C ATOM 546 CE LYS A 38 3.665 -14.364 -2.589 1.00 0.00 C ATOM 547 NZ LYS A 38 2.687 -13.613 -3.424 1.00 0.00 N ATOM 0 H LYS A 38 1.613 -12.154 -1.327 1.00 0.00 H new ATOM 0 HA LYS A 38 2.960 -10.119 0.170 1.00 0.00 H new ATOM 0 HB2 LYS A 38 3.705 -11.209 -2.561 1.00 0.00 H new ATOM 0 HB3 LYS A 38 4.772 -10.533 -1.347 1.00 0.00 H new ATOM 0 HG2 LYS A 38 4.808 -12.467 -0.082 1.00 0.00 H new ATOM 0 HG3 LYS A 38 3.194 -12.952 -0.564 1.00 0.00 H new ATOM 0 HD2 LYS A 38 5.177 -12.853 -2.780 1.00 0.00 H new ATOM 0 HD3 LYS A 38 5.515 -14.051 -1.547 1.00 0.00 H new ATOM 0 HE2 LYS A 38 4.149 -15.128 -3.197 1.00 0.00 H new ATOM 0 HE3 LYS A 38 3.136 -14.881 -1.788 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 2.331 -14.230 -4.181 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 1.892 -13.300 -2.831 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 3.154 -12.784 -3.844 1.00 0.00 H new ATOM 561 N VAL A 39 1.748 -8.187 -0.984 1.00 0.00 N ATOM 562 CA VAL A 39 1.368 -6.949 -1.651 1.00 0.00 C ATOM 563 C VAL A 39 1.179 -5.804 -0.660 1.00 0.00 C ATOM 564 O VAL A 39 1.698 -4.710 -0.868 1.00 0.00 O ATOM 565 CB VAL A 39 0.074 -7.124 -2.467 1.00 0.00 C ATOM 566 CG1 VAL A 39 -1.078 -7.529 -1.562 1.00 0.00 C ATOM 567 CG2 VAL A 39 -0.250 -5.844 -3.225 1.00 0.00 C ATOM 0 H VAL A 39 1.521 -8.220 0.010 1.00 0.00 H new ATOM 0 HA VAL A 39 2.188 -6.700 -2.324 1.00 0.00 H new ATOM 0 HB VAL A 39 0.225 -7.922 -3.194 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -1.984 -7.648 -2.157 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -0.840 -8.472 -1.071 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -1.237 -6.758 -0.809 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -1.167 -5.982 -3.797 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -0.384 -5.026 -2.517 1.00 0.00 H new ATOM 0 HG23 VAL A 39 0.569 -5.606 -3.904 1.00 0.00 H new ATOM 577 N VAL A 40 0.427 -6.056 0.407 1.00 0.00 N ATOM 578 CA VAL A 40 0.166 -5.032 1.413 1.00 0.00 C ATOM 579 C VAL A 40 0.836 -5.363 2.740 1.00 0.00 C ATOM 580 O VAL A 40 0.689 -6.468 3.261 1.00 0.00 O ATOM 581 CB VAL A 40 -1.346 -4.853 1.649 1.00 0.00 C ATOM 582 CG1 VAL A 40 -2.028 -4.332 0.395 1.00 0.00 C ATOM 583 CG2 VAL A 40 -1.973 -6.164 2.101 1.00 0.00 C ATOM 0 H VAL A 40 -0.011 -6.957 0.597 1.00 0.00 H new ATOM 0 HA VAL A 40 0.585 -4.103 1.026 1.00 0.00 H new ATOM 0 HB VAL A 40 -1.486 -4.116 2.440 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -3.095 -4.213 0.584 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -1.598 -3.369 0.121 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -1.881 -5.040 -0.420 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -3.041 -6.020 2.263 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -1.822 -6.923 1.334 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -1.506 -6.489 3.030 1.00 0.00 H new ATOM 593 N GLU A 41 1.565 -4.393 3.287 1.00 0.00 N ATOM 594 CA GLU A 41 2.252 -4.576 4.560 1.00 0.00 C ATOM 595 C GLU A 41 3.004 -3.311 4.968 1.00 0.00 C ATOM 596 O GLU A 41 4.107 -3.386 5.509 1.00 0.00 O ATOM 597 CB GLU A 41 3.223 -5.759 4.484 1.00 0.00 C ATOM 598 CG GLU A 41 4.446 -5.496 3.618 1.00 0.00 C ATOM 599 CD GLU A 41 5.748 -5.667 4.378 1.00 0.00 C ATOM 600 OE1 GLU A 41 5.919 -6.718 5.031 1.00 0.00 O ATOM 601 OE2 GLU A 41 6.594 -4.752 4.319 1.00 0.00 O ATOM 0 H GLU A 41 1.694 -3.472 2.867 1.00 0.00 H new ATOM 0 HA GLU A 41 1.496 -4.786 5.317 1.00 0.00 H new ATOM 0 HB2 GLU A 41 3.551 -6.013 5.492 1.00 0.00 H new ATOM 0 HB3 GLU A 41 2.693 -6.627 4.093 1.00 0.00 H new ATOM 0 HG2 GLU A 41 4.436 -6.175 2.766 1.00 0.00 H new ATOM 0 HG3 GLU A 41 4.393 -4.483 3.219 1.00 0.00 H new ATOM 608 N LEU A 42 2.407 -2.148 4.711 1.00 0.00 N ATOM 609 CA LEU A 42 3.042 -0.884 5.064 1.00 0.00 C ATOM 610 C LEU A 42 2.018 0.179 5.451 1.00 0.00 C ATOM 611 O LEU A 42 0.814 -0.011 5.274 1.00 0.00 O ATOM 612 CB LEU A 42 3.923 -0.387 3.920 1.00 0.00 C ATOM 613 CG LEU A 42 5.269 0.202 4.349 1.00 0.00 C ATOM 614 CD1 LEU A 42 6.202 -0.898 4.831 1.00 0.00 C ATOM 615 CD2 LEU A 42 5.904 0.979 3.203 1.00 0.00 C ATOM 0 H LEU A 42 1.494 -2.057 4.264 1.00 0.00 H new ATOM 0 HA LEU A 42 3.669 -1.068 5.937 1.00 0.00 H new ATOM 0 HB2 LEU A 42 4.107 -1.216 3.237 1.00 0.00 H new ATOM 0 HB3 LEU A 42 3.374 0.370 3.361 1.00 0.00 H new ATOM 0 HG LEU A 42 5.095 0.892 5.175 1.00 0.00 H new ATOM 0 HD11 LEU A 42 7.154 -0.461 5.132 1.00 0.00 H new ATOM 0 HD12 LEU A 42 5.752 -1.410 5.682 1.00 0.00 H new ATOM 0 HD13 LEU A 42 6.369 -1.612 4.025 1.00 0.00 H new ATOM 0 HD21 LEU A 42 6.860 1.390 3.528 1.00 0.00 H new ATOM 0 HD22 LEU A 42 6.065 0.312 2.356 1.00 0.00 H new ATOM 0 HD23 LEU A 42 5.242 1.792 2.904 1.00 0.00 H new ATOM 627 N GLY A 43 2.505 1.295 5.995 1.00 0.00 N ATOM 628 CA GLY A 43 1.617 2.366 6.410 1.00 0.00 C ATOM 629 C GLY A 43 2.316 3.710 6.547 1.00 0.00 C ATOM 630 O GLY A 43 1.894 4.542 7.348 1.00 0.00 O ATOM 0 H GLY A 43 3.496 1.474 6.154 1.00 0.00 H new ATOM 0 HA2 GLY A 43 0.807 2.458 5.686 1.00 0.00 H new ATOM 0 HA3 GLY A 43 1.163 2.102 7.365 1.00 0.00 H new ATOM 634 N CYS A 44 3.370 3.923 5.745 1.00 0.00 N ATOM 635 CA CYS A 44 4.141 5.178 5.736 1.00 0.00 C ATOM 636 C CYS A 44 5.620 4.902 5.485 1.00 0.00 C ATOM 637 O CYS A 44 6.223 4.044 6.131 1.00 0.00 O ATOM 638 CB CYS A 44 3.986 5.975 7.041 1.00 0.00 C ATOM 639 SG CYS A 44 4.972 7.513 7.100 1.00 0.00 S ATOM 0 H CYS A 44 3.714 3.228 5.082 1.00 0.00 H new ATOM 0 HA CYS A 44 3.735 5.782 4.925 1.00 0.00 H new ATOM 0 HB2 CYS A 44 2.934 6.225 7.178 1.00 0.00 H new ATOM 0 HB3 CYS A 44 4.274 5.339 7.878 1.00 0.00 H new ATOM 644 N ALA A 45 6.196 5.642 4.546 1.00 0.00 N ATOM 645 CA ALA A 45 7.609 5.495 4.204 1.00 0.00 C ATOM 646 C ALA A 45 8.147 6.764 3.552 1.00 0.00 C ATOM 647 O ALA A 45 9.216 7.255 3.919 1.00 0.00 O ATOM 648 CB ALA A 45 7.819 4.295 3.293 1.00 0.00 C ATOM 0 H ALA A 45 5.706 6.354 4.004 1.00 0.00 H new ATOM 0 HA ALA A 45 8.164 5.327 5.127 1.00 0.00 H new ATOM 0 HB1 ALA A 45 8.878 4.203 3.050 1.00 0.00 H new ATOM 0 HB2 ALA A 45 7.483 3.390 3.800 1.00 0.00 H new ATOM 0 HB3 ALA A 45 7.247 4.430 2.375 1.00 0.00 H new ATOM 654 N ALA A 46 7.393 7.301 2.593 1.00 0.00 N ATOM 655 CA ALA A 46 7.779 8.528 1.894 1.00 0.00 C ATOM 656 C ALA A 46 8.782 8.283 0.788 1.00 0.00 C ATOM 657 O ALA A 46 9.087 9.199 0.025 1.00 0.00 O ATOM 658 CB ALA A 46 8.322 9.561 2.875 1.00 0.00 C ATOM 0 H ALA A 46 6.507 6.904 2.281 1.00 0.00 H new ATOM 0 HA ALA A 46 6.873 8.915 1.427 1.00 0.00 H new ATOM 0 HB1 ALA A 46 8.603 10.465 2.334 1.00 0.00 H new ATOM 0 HB2 ALA A 46 7.555 9.802 3.611 1.00 0.00 H new ATOM 0 HB3 ALA A 46 9.197 9.156 3.383 1.00 0.00 H new ATOM 664 N THR A 47 9.299 7.066 0.684 1.00 0.00 N ATOM 665 CA THR A 47 10.274 6.779 -0.358 1.00 0.00 C ATOM 666 C THR A 47 10.788 5.339 -0.305 1.00 0.00 C ATOM 667 O THR A 47 11.353 4.845 -1.282 1.00 0.00 O ATOM 668 CB THR A 47 11.427 7.778 -0.241 1.00 0.00 C ATOM 669 OG1 THR A 47 11.995 8.045 -1.511 1.00 0.00 O ATOM 670 CG2 THR A 47 12.544 7.329 0.680 1.00 0.00 C ATOM 0 H THR A 47 9.067 6.280 1.292 1.00 0.00 H new ATOM 0 HA THR A 47 9.783 6.886 -1.325 1.00 0.00 H new ATOM 0 HB THR A 47 10.975 8.672 0.188 1.00 0.00 H new ATOM 0 HG1 THR A 47 12.729 8.687 -1.413 1.00 0.00 H new ATOM 0 HG21 THR A 47 13.322 8.092 0.708 1.00 0.00 H new ATOM 0 HG22 THR A 47 12.149 7.177 1.684 1.00 0.00 H new ATOM 0 HG23 THR A 47 12.966 6.394 0.311 1.00 0.00 H new ATOM 678 N CYS A 48 10.600 4.668 0.827 1.00 0.00 N ATOM 679 CA CYS A 48 11.057 3.291 0.971 1.00 0.00 C ATOM 680 C CYS A 48 12.584 3.239 1.004 1.00 0.00 C ATOM 681 O CYS A 48 13.236 3.230 -0.041 1.00 0.00 O ATOM 682 CB CYS A 48 10.522 2.432 -0.181 1.00 0.00 C ATOM 683 SG CYS A 48 8.772 2.749 -0.597 1.00 0.00 S ATOM 0 H CYS A 48 10.138 5.052 1.652 1.00 0.00 H new ATOM 0 HA CYS A 48 10.675 2.894 1.911 1.00 0.00 H new ATOM 0 HB2 CYS A 48 11.133 2.609 -1.066 1.00 0.00 H new ATOM 0 HB3 CYS A 48 10.637 1.380 0.080 1.00 0.00 H new ATOM 688 N PRO A 49 13.178 3.220 2.211 1.00 0.00 N ATOM 689 CA PRO A 49 14.635 3.186 2.381 1.00 0.00 C ATOM 690 C PRO A 49 15.318 2.147 1.495 1.00 0.00 C ATOM 691 O PRO A 49 16.090 2.497 0.602 1.00 0.00 O ATOM 692 CB PRO A 49 14.806 2.833 3.858 1.00 0.00 C ATOM 693 CG PRO A 49 13.585 3.374 4.516 1.00 0.00 C ATOM 694 CD PRO A 49 12.474 3.243 3.510 1.00 0.00 C ATOM 0 HA PRO A 49 15.096 4.131 2.093 1.00 0.00 H new ATOM 0 HB2 PRO A 49 14.889 1.756 4.001 1.00 0.00 H new ATOM 0 HB3 PRO A 49 15.710 3.280 4.271 1.00 0.00 H new ATOM 0 HG2 PRO A 49 13.354 2.819 5.425 1.00 0.00 H new ATOM 0 HG3 PRO A 49 13.727 4.415 4.805 1.00 0.00 H new ATOM 0 HD2 PRO A 49 11.896 2.333 3.668 1.00 0.00 H new ATOM 0 HD3 PRO A 49 11.777 4.078 3.573 1.00 0.00 H new ATOM 702 N SER A 50 15.040 0.872 1.747 1.00 0.00 N ATOM 703 CA SER A 50 15.643 -0.203 0.966 1.00 0.00 C ATOM 704 C SER A 50 14.606 -1.246 0.563 1.00 0.00 C ATOM 705 O SER A 50 14.429 -2.258 1.242 1.00 0.00 O ATOM 706 CB SER A 50 16.769 -0.867 1.761 1.00 0.00 C ATOM 707 OG SER A 50 17.413 0.067 2.610 1.00 0.00 O ATOM 0 H SER A 50 14.405 0.559 2.481 1.00 0.00 H new ATOM 0 HA SER A 50 16.054 0.235 0.057 1.00 0.00 H new ATOM 0 HB2 SER A 50 16.364 -1.686 2.356 1.00 0.00 H new ATOM 0 HB3 SER A 50 17.496 -1.301 1.075 1.00 0.00 H new ATOM 0 HG SER A 50 18.127 -0.382 3.108 1.00 0.00 H new ATOM 713 N LYS A 51 13.926 -0.992 -0.549 1.00 0.00 N ATOM 714 CA LYS A 51 12.904 -1.902 -1.060 1.00 0.00 C ATOM 715 C LYS A 51 12.124 -1.246 -2.193 1.00 0.00 C ATOM 716 O LYS A 51 11.779 -0.067 -2.114 1.00 0.00 O ATOM 717 CB LYS A 51 11.946 -2.326 0.060 1.00 0.00 C ATOM 718 CG LYS A 51 12.061 -3.795 0.436 1.00 0.00 C ATOM 719 CD LYS A 51 12.399 -3.973 1.909 1.00 0.00 C ATOM 720 CE LYS A 51 11.607 -5.112 2.533 1.00 0.00 C ATOM 721 NZ LYS A 51 10.789 -4.652 3.688 1.00 0.00 N ATOM 0 H LYS A 51 14.065 -0.157 -1.119 1.00 0.00 H new ATOM 0 HA LYS A 51 13.404 -2.791 -1.445 1.00 0.00 H new ATOM 0 HB2 LYS A 51 12.141 -1.717 0.943 1.00 0.00 H new ATOM 0 HB3 LYS A 51 10.922 -2.118 -0.251 1.00 0.00 H new ATOM 0 HG2 LYS A 51 11.122 -4.302 0.214 1.00 0.00 H new ATOM 0 HG3 LYS A 51 12.831 -4.268 -0.174 1.00 0.00 H new ATOM 0 HD2 LYS A 51 13.466 -4.169 2.017 1.00 0.00 H new ATOM 0 HD3 LYS A 51 12.190 -3.047 2.445 1.00 0.00 H new ATOM 0 HE2 LYS A 51 10.955 -5.556 1.780 1.00 0.00 H new ATOM 0 HE3 LYS A 51 12.292 -5.893 2.862 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 10.612 -5.452 4.329 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 11.300 -3.905 4.200 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 9.882 -4.277 3.344 1.00 0.00 H new ATOM 735 N LYS A 52 11.853 -2.011 -3.246 1.00 0.00 N ATOM 736 CA LYS A 52 11.112 -1.500 -4.396 1.00 0.00 C ATOM 737 C LYS A 52 11.069 -2.533 -5.525 1.00 0.00 C ATOM 738 O LYS A 52 9.991 -2.932 -5.964 1.00 0.00 O ATOM 739 CB LYS A 52 11.732 -0.187 -4.898 1.00 0.00 C ATOM 740 CG LYS A 52 11.231 0.251 -6.266 1.00 0.00 C ATOM 741 CD LYS A 52 11.292 1.762 -6.423 1.00 0.00 C ATOM 742 CE LYS A 52 11.681 2.158 -7.838 1.00 0.00 C ATOM 743 NZ LYS A 52 11.695 3.636 -8.018 1.00 0.00 N ATOM 0 H LYS A 52 12.135 -2.988 -3.327 1.00 0.00 H new ATOM 0 HA LYS A 52 10.089 -1.303 -4.075 1.00 0.00 H new ATOM 0 HB2 LYS A 52 11.521 0.602 -4.176 1.00 0.00 H new ATOM 0 HB3 LYS A 52 12.815 -0.301 -4.939 1.00 0.00 H new ATOM 0 HG2 LYS A 52 11.832 -0.221 -7.043 1.00 0.00 H new ATOM 0 HG3 LYS A 52 10.205 -0.089 -6.405 1.00 0.00 H new ATOM 0 HD2 LYS A 52 10.322 2.194 -6.176 1.00 0.00 H new ATOM 0 HD3 LYS A 52 12.013 2.174 -5.717 1.00 0.00 H new ATOM 0 HE2 LYS A 52 12.667 1.755 -8.070 1.00 0.00 H new ATOM 0 HE3 LYS A 52 10.981 1.713 -8.545 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 11.965 3.864 -8.996 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 10.748 4.019 -7.822 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 12.382 4.059 -7.362 1.00 0.00 H new ATOM 757 N PRO A 53 12.241 -2.978 -6.017 1.00 0.00 N ATOM 758 CA PRO A 53 12.313 -3.963 -7.103 1.00 0.00 C ATOM 759 C PRO A 53 11.750 -5.323 -6.701 1.00 0.00 C ATOM 760 O PRO A 53 12.416 -6.104 -6.023 1.00 0.00 O ATOM 761 CB PRO A 53 13.812 -4.074 -7.395 1.00 0.00 C ATOM 762 CG PRO A 53 14.480 -3.612 -6.147 1.00 0.00 C ATOM 763 CD PRO A 53 13.582 -2.559 -5.567 1.00 0.00 C ATOM 0 HA PRO A 53 11.719 -3.653 -7.963 1.00 0.00 H new ATOM 0 HB2 PRO A 53 14.093 -5.099 -7.637 1.00 0.00 H new ATOM 0 HB3 PRO A 53 14.095 -3.456 -8.247 1.00 0.00 H new ATOM 0 HG2 PRO A 53 14.617 -4.437 -5.448 1.00 0.00 H new ATOM 0 HG3 PRO A 53 15.470 -3.208 -6.360 1.00 0.00 H new ATOM 0 HD2 PRO A 53 13.650 -2.525 -4.480 1.00 0.00 H new ATOM 0 HD3 PRO A 53 13.838 -1.565 -5.933 1.00 0.00 H new ATOM 771 N TYR A 54 10.522 -5.599 -7.134 1.00 0.00 N ATOM 772 CA TYR A 54 9.858 -6.866 -6.834 1.00 0.00 C ATOM 773 C TYR A 54 9.555 -7.007 -5.345 1.00 0.00 C ATOM 774 O TYR A 54 8.394 -7.071 -4.946 1.00 0.00 O ATOM 775 CB TYR A 54 10.714 -8.045 -7.307 1.00 0.00 C ATOM 776 CG TYR A 54 10.988 -8.033 -8.793 1.00 0.00 C ATOM 777 CD1 TYR A 54 12.062 -7.323 -9.315 1.00 0.00 C ATOM 778 CD2 TYR A 54 10.171 -8.729 -9.674 1.00 0.00 C ATOM 779 CE1 TYR A 54 12.313 -7.307 -10.673 1.00 0.00 C ATOM 780 CE2 TYR A 54 10.416 -8.719 -11.033 1.00 0.00 C ATOM 781 CZ TYR A 54 11.489 -8.007 -11.528 1.00 0.00 C ATOM 782 OH TYR A 54 11.736 -7.993 -12.881 1.00 0.00 O ATOM 0 H TYR A 54 9.963 -4.958 -7.697 1.00 0.00 H new ATOM 0 HA TYR A 54 8.910 -6.872 -7.371 1.00 0.00 H new ATOM 0 HB2 TYR A 54 11.663 -8.033 -6.771 1.00 0.00 H new ATOM 0 HB3 TYR A 54 10.212 -8.976 -7.046 1.00 0.00 H new ATOM 0 HD1 TYR A 54 12.711 -6.775 -8.648 1.00 0.00 H new ATOM 0 HD2 TYR A 54 9.330 -9.287 -9.290 1.00 0.00 H new ATOM 0 HE1 TYR A 54 13.151 -6.749 -11.063 1.00 0.00 H new ATOM 0 HE2 TYR A 54 9.771 -9.266 -11.705 1.00 0.00 H new ATOM 0 HH TYR A 54 11.064 -8.537 -13.342 1.00 0.00 H new ATOM 792 N GLU A 55 10.605 -7.065 -4.530 1.00 0.00 N ATOM 793 CA GLU A 55 10.458 -7.211 -3.080 1.00 0.00 C ATOM 794 C GLU A 55 9.330 -6.343 -2.526 1.00 0.00 C ATOM 795 O GLU A 55 8.510 -6.807 -1.741 1.00 0.00 O ATOM 796 CB GLU A 55 11.769 -6.854 -2.378 1.00 0.00 C ATOM 797 CG GLU A 55 12.393 -5.558 -2.871 1.00 0.00 C ATOM 798 CD GLU A 55 13.904 -5.552 -2.744 1.00 0.00 C ATOM 799 OE1 GLU A 55 14.579 -6.058 -3.665 1.00 0.00 O ATOM 800 OE2 GLU A 55 14.412 -5.044 -1.722 1.00 0.00 O ATOM 0 H GLU A 55 11.573 -7.013 -4.849 1.00 0.00 H new ATOM 0 HA GLU A 55 10.205 -8.253 -2.886 1.00 0.00 H new ATOM 0 HB2 GLU A 55 11.587 -6.775 -1.306 1.00 0.00 H new ATOM 0 HB3 GLU A 55 12.481 -7.667 -2.521 1.00 0.00 H new ATOM 0 HG2 GLU A 55 12.119 -5.401 -3.914 1.00 0.00 H new ATOM 0 HG3 GLU A 55 11.981 -4.723 -2.305 1.00 0.00 H new ATOM 807 N GLU A 56 9.303 -5.081 -2.931 1.00 0.00 N ATOM 808 CA GLU A 56 8.289 -4.148 -2.468 1.00 0.00 C ATOM 809 C GLU A 56 7.389 -3.717 -3.623 1.00 0.00 C ATOM 810 O GLU A 56 7.691 -3.972 -4.788 1.00 0.00 O ATOM 811 CB GLU A 56 8.980 -2.935 -1.821 1.00 0.00 C ATOM 812 CG GLU A 56 8.356 -1.589 -2.161 1.00 0.00 C ATOM 813 CD GLU A 56 9.134 -0.423 -1.589 1.00 0.00 C ATOM 814 OE1 GLU A 56 9.471 -0.465 -0.386 1.00 0.00 O ATOM 815 OE2 GLU A 56 9.409 0.533 -2.344 1.00 0.00 O ATOM 0 H GLU A 56 9.977 -4.679 -3.583 1.00 0.00 H new ATOM 0 HA GLU A 56 7.657 -4.635 -1.725 1.00 0.00 H new ATOM 0 HB2 GLU A 56 8.968 -3.062 -0.739 1.00 0.00 H new ATOM 0 HB3 GLU A 56 10.026 -2.923 -2.129 1.00 0.00 H new ATOM 0 HG2 GLU A 56 8.296 -1.484 -3.244 1.00 0.00 H new ATOM 0 HG3 GLU A 56 7.335 -1.560 -1.781 1.00 0.00 H new ATOM 822 N VAL A 57 6.281 -3.064 -3.290 1.00 0.00 N ATOM 823 CA VAL A 57 5.342 -2.601 -4.297 1.00 0.00 C ATOM 824 C VAL A 57 5.959 -1.508 -5.165 1.00 0.00 C ATOM 825 O VAL A 57 5.877 -1.568 -6.390 1.00 0.00 O ATOM 826 CB VAL A 57 4.041 -2.077 -3.654 1.00 0.00 C ATOM 827 CG1 VAL A 57 3.434 -3.144 -2.762 1.00 0.00 C ATOM 828 CG2 VAL A 57 4.294 -0.802 -2.860 1.00 0.00 C ATOM 0 H VAL A 57 6.014 -2.845 -2.330 1.00 0.00 H new ATOM 0 HA VAL A 57 5.101 -3.458 -4.926 1.00 0.00 H new ATOM 0 HB VAL A 57 3.338 -1.840 -4.453 1.00 0.00 H new ATOM 0 HG11 VAL A 57 2.516 -2.764 -2.313 1.00 0.00 H new ATOM 0 HG12 VAL A 57 3.208 -4.029 -3.356 1.00 0.00 H new ATOM 0 HG13 VAL A 57 4.141 -3.406 -1.975 1.00 0.00 H new ATOM 0 HG21 VAL A 57 3.359 -0.457 -2.419 1.00 0.00 H new ATOM 0 HG22 VAL A 57 5.016 -1.003 -2.069 1.00 0.00 H new ATOM 0 HG23 VAL A 57 4.688 -0.032 -3.524 1.00 0.00 H new ATOM 838 N THR A 58 6.576 -0.522 -4.499 1.00 0.00 N ATOM 839 CA THR A 58 7.239 0.627 -5.143 1.00 0.00 C ATOM 840 C THR A 58 6.744 1.932 -4.525 1.00 0.00 C ATOM 841 O THR A 58 6.490 2.908 -5.232 1.00 0.00 O ATOM 842 CB THR A 58 7.016 0.669 -6.663 1.00 0.00 C ATOM 843 OG1 THR A 58 7.817 1.676 -7.254 1.00 0.00 O ATOM 844 CG2 THR A 58 5.579 0.944 -7.059 1.00 0.00 C ATOM 0 H THR A 58 6.631 -0.497 -3.481 1.00 0.00 H new ATOM 0 HA THR A 58 8.309 0.507 -4.971 1.00 0.00 H new ATOM 0 HB THR A 58 7.288 -0.324 -7.019 1.00 0.00 H new ATOM 0 HG1 THR A 58 7.652 2.531 -6.804 1.00 0.00 H new ATOM 0 HG21 THR A 58 5.498 0.959 -8.146 1.00 0.00 H new ATOM 0 HG22 THR A 58 4.935 0.162 -6.658 1.00 0.00 H new ATOM 0 HG23 THR A 58 5.270 1.909 -6.659 1.00 0.00 H new ATOM 852 N CYS A 59 6.601 1.942 -3.202 1.00 0.00 N ATOM 853 CA CYS A 59 6.127 3.126 -2.496 1.00 0.00 C ATOM 854 C CYS A 59 4.750 3.536 -3.015 1.00 0.00 C ATOM 855 O CYS A 59 4.061 2.738 -3.651 1.00 0.00 O ATOM 856 CB CYS A 59 7.127 4.273 -2.658 1.00 0.00 C ATOM 857 SG CYS A 59 8.859 3.799 -2.334 1.00 0.00 S ATOM 0 H CYS A 59 6.806 1.145 -2.600 1.00 0.00 H new ATOM 0 HA CYS A 59 6.039 2.891 -1.435 1.00 0.00 H new ATOM 0 HB2 CYS A 59 7.052 4.666 -3.672 1.00 0.00 H new ATOM 0 HB3 CYS A 59 6.850 5.081 -1.982 1.00 0.00 H new ATOM 862 N CYS A 60 4.343 4.773 -2.742 1.00 0.00 N ATOM 863 CA CYS A 60 3.053 5.257 -3.184 1.00 0.00 C ATOM 864 C CYS A 60 3.140 6.719 -3.608 1.00 0.00 C ATOM 865 O CYS A 60 4.229 7.262 -3.794 1.00 0.00 O ATOM 866 CB CYS A 60 2.025 5.086 -2.062 1.00 0.00 C ATOM 867 SG CYS A 60 1.689 3.349 -1.628 1.00 0.00 S ATOM 0 H CYS A 60 4.893 5.453 -2.217 1.00 0.00 H new ATOM 0 HA CYS A 60 2.737 4.674 -4.049 1.00 0.00 H new ATOM 0 HB2 CYS A 60 2.380 5.610 -1.174 1.00 0.00 H new ATOM 0 HB3 CYS A 60 1.092 5.563 -2.362 1.00 0.00 H new ATOM 872 N SER A 61 1.980 7.338 -3.757 1.00 0.00 N ATOM 873 CA SER A 61 1.877 8.740 -4.162 1.00 0.00 C ATOM 874 C SER A 61 0.457 9.064 -4.628 1.00 0.00 C ATOM 875 O SER A 61 0.004 10.204 -4.523 1.00 0.00 O ATOM 876 CB SER A 61 2.870 9.058 -5.283 1.00 0.00 C ATOM 877 OG SER A 61 2.924 8.005 -6.230 1.00 0.00 O ATOM 0 H SER A 61 1.079 6.886 -3.601 1.00 0.00 H new ATOM 0 HA SER A 61 2.116 9.355 -3.294 1.00 0.00 H new ATOM 0 HB2 SER A 61 2.579 9.983 -5.780 1.00 0.00 H new ATOM 0 HB3 SER A 61 3.861 9.222 -4.860 1.00 0.00 H new ATOM 0 HG SER A 61 3.564 8.233 -6.936 1.00 0.00 H new ATOM 883 N THR A 62 -0.236 8.054 -5.149 1.00 0.00 N ATOM 884 CA THR A 62 -1.599 8.227 -5.638 1.00 0.00 C ATOM 885 C THR A 62 -2.620 7.881 -4.554 1.00 0.00 C ATOM 886 O THR A 62 -2.303 7.894 -3.365 1.00 0.00 O ATOM 887 CB THR A 62 -1.824 7.356 -6.878 1.00 0.00 C ATOM 888 OG1 THR A 62 -3.092 7.619 -7.452 1.00 0.00 O ATOM 889 CG2 THR A 62 -1.750 5.872 -6.590 1.00 0.00 C ATOM 0 H THR A 62 0.126 7.105 -5.243 1.00 0.00 H new ATOM 0 HA THR A 62 -1.736 9.274 -5.907 1.00 0.00 H new ATOM 0 HB THR A 62 -1.018 7.617 -7.563 1.00 0.00 H new ATOM 0 HG1 THR A 62 -3.216 7.054 -8.243 1.00 0.00 H new ATOM 0 HG21 THR A 62 -1.918 5.314 -7.511 1.00 0.00 H new ATOM 0 HG22 THR A 62 -0.765 5.627 -6.192 1.00 0.00 H new ATOM 0 HG23 THR A 62 -2.513 5.605 -5.859 1.00 0.00 H new ATOM 897 N ASP A 63 -3.851 7.582 -4.970 1.00 0.00 N ATOM 898 CA ASP A 63 -4.915 7.246 -4.029 1.00 0.00 C ATOM 899 C ASP A 63 -5.082 5.730 -3.884 1.00 0.00 C ATOM 900 O ASP A 63 -5.421 5.034 -4.842 1.00 0.00 O ATOM 901 CB ASP A 63 -6.236 7.869 -4.484 1.00 0.00 C ATOM 902 CG ASP A 63 -6.546 7.573 -5.938 1.00 0.00 C ATOM 903 OD1 ASP A 63 -5.743 7.969 -6.809 1.00 0.00 O ATOM 904 OD2 ASP A 63 -7.591 6.944 -6.206 1.00 0.00 O ATOM 0 H ASP A 63 -4.134 7.566 -5.950 1.00 0.00 H new ATOM 0 HA ASP A 63 -4.635 7.650 -3.056 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -7.046 7.493 -3.859 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -6.195 8.948 -4.337 1.00 0.00 H new ATOM 909 N LYS A 64 -4.840 5.243 -2.670 1.00 0.00 N ATOM 910 CA LYS A 64 -4.950 3.822 -2.321 1.00 0.00 C ATOM 911 C LYS A 64 -3.715 3.054 -2.689 1.00 0.00 C ATOM 912 O LYS A 64 -3.343 2.122 -1.980 1.00 0.00 O ATOM 913 CB LYS A 64 -6.167 3.168 -2.970 1.00 0.00 C ATOM 914 CG LYS A 64 -7.174 2.625 -1.970 1.00 0.00 C ATOM 915 CD LYS A 64 -8.562 2.514 -2.580 1.00 0.00 C ATOM 916 CE LYS A 64 -9.570 1.982 -1.575 1.00 0.00 C ATOM 917 NZ LYS A 64 -9.114 0.708 -0.952 1.00 0.00 N ATOM 0 H LYS A 64 -4.557 5.831 -1.886 1.00 0.00 H new ATOM 0 HA LYS A 64 -5.070 3.789 -1.238 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -6.662 3.898 -3.611 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -5.832 2.354 -3.613 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -6.849 1.645 -1.621 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -7.210 3.278 -1.098 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -8.883 3.493 -2.936 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -8.528 1.854 -3.447 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -9.735 2.728 -0.797 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -10.527 1.821 -2.071 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -9.908 0.265 -0.447 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -8.771 0.063 -1.692 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -8.344 0.906 -0.281 1.00 0.00 H new ATOM 931 N CYS A 65 -3.064 3.422 -3.779 1.00 0.00 N ATOM 932 CA CYS A 65 -1.867 2.711 -4.158 1.00 0.00 C ATOM 933 C CYS A 65 -2.232 1.306 -4.628 1.00 0.00 C ATOM 934 O CYS A 65 -2.075 0.976 -5.803 1.00 0.00 O ATOM 935 CB CYS A 65 -0.960 2.657 -2.935 1.00 0.00 C ATOM 936 SG CYS A 65 0.823 2.586 -3.300 1.00 0.00 S ATOM 0 H CYS A 65 -3.337 4.186 -4.397 1.00 0.00 H new ATOM 0 HA CYS A 65 -1.354 3.213 -4.978 1.00 0.00 H new ATOM 0 HB2 CYS A 65 -1.154 3.535 -2.318 1.00 0.00 H new ATOM 0 HB3 CYS A 65 -1.229 1.784 -2.341 1.00 0.00 H new ATOM 941 N ASN A 66 -2.748 0.494 -3.697 1.00 0.00 N ATOM 942 CA ASN A 66 -3.175 -0.879 -3.994 1.00 0.00 C ATOM 943 C ASN A 66 -2.306 -1.537 -5.065 1.00 0.00 C ATOM 944 O ASN A 66 -2.565 -1.395 -6.260 1.00 0.00 O ATOM 945 CB ASN A 66 -4.638 -0.887 -4.441 1.00 0.00 C ATOM 946 CG ASN A 66 -4.872 -0.034 -5.673 1.00 0.00 C ATOM 947 OD1 ASN A 66 -4.790 1.193 -5.619 1.00 0.00 O ATOM 948 ND2 ASN A 66 -5.164 -0.683 -6.794 1.00 0.00 N ATOM 0 H ASN A 66 -2.881 0.768 -2.723 1.00 0.00 H new ATOM 0 HA ASN A 66 -3.063 -1.458 -3.077 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -4.946 -1.912 -4.648 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -5.266 -0.524 -3.627 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -5.331 -0.163 -7.656 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -5.222 -1.701 -6.793 1.00 0.00 H new ATOM 955 N PRO A 67 -1.261 -2.269 -4.648 1.00 0.00 N ATOM 956 CA PRO A 67 -0.350 -2.950 -5.565 1.00 0.00 C ATOM 957 C PRO A 67 -0.911 -4.277 -6.077 1.00 0.00 C ATOM 958 O PRO A 67 -0.268 -4.962 -6.872 1.00 0.00 O ATOM 959 CB PRO A 67 0.907 -3.193 -4.714 1.00 0.00 C ATOM 960 CG PRO A 67 0.616 -2.618 -3.359 1.00 0.00 C ATOM 961 CD PRO A 67 -0.874 -2.493 -3.257 1.00 0.00 C ATOM 0 HA PRO A 67 -0.167 -2.357 -6.461 1.00 0.00 H new ATOM 0 HB2 PRO A 67 1.130 -4.258 -4.645 1.00 0.00 H new ATOM 0 HB3 PRO A 67 1.778 -2.713 -5.161 1.00 0.00 H new ATOM 0 HG2 PRO A 67 1.005 -3.264 -2.572 1.00 0.00 H new ATOM 0 HG3 PRO A 67 1.095 -1.646 -3.240 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -1.331 -3.394 -2.847 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -1.170 -1.664 -2.614 1.00 0.00 H new ATOM 969 N HIS A 68 -2.107 -4.638 -5.618 1.00 0.00 N ATOM 970 CA HIS A 68 -2.739 -5.886 -6.037 1.00 0.00 C ATOM 971 C HIS A 68 -3.968 -5.618 -6.909 1.00 0.00 C ATOM 972 O HIS A 68 -5.089 -5.967 -6.538 1.00 0.00 O ATOM 973 CB HIS A 68 -3.138 -6.714 -4.813 1.00 0.00 C ATOM 974 CG HIS A 68 -2.943 -8.188 -4.996 1.00 0.00 C ATOM 975 ND1 HIS A 68 -3.839 -9.130 -4.533 1.00 0.00 N ATOM 976 CD2 HIS A 68 -1.945 -8.884 -5.593 1.00 0.00 C ATOM 977 CE1 HIS A 68 -3.401 -10.338 -4.836 1.00 0.00 C ATOM 978 NE2 HIS A 68 -2.254 -10.217 -5.479 1.00 0.00 N ATOM 0 H HIS A 68 -2.656 -4.086 -4.959 1.00 0.00 H new ATOM 0 HA HIS A 68 -2.016 -6.446 -6.630 1.00 0.00 H new ATOM 0 HB2 HIS A 68 -2.554 -6.383 -3.955 1.00 0.00 H new ATOM 0 HB3 HIS A 68 -4.185 -6.521 -4.580 1.00 0.00 H new ATOM 0 HD2 HIS A 68 -1.070 -8.468 -6.070 1.00 0.00 H new ATOM 0 HE1 HIS A 68 -3.897 -11.268 -4.598 1.00 0.00 H new ATOM 0 HE2 HIS A 68 -1.689 -10.989 -5.834 1.00 0.00 H new ATOM 987 N PRO A 69 -3.774 -4.997 -8.087 1.00 0.00 N ATOM 988 CA PRO A 69 -4.876 -4.693 -9.008 1.00 0.00 C ATOM 989 C PRO A 69 -5.457 -5.953 -9.643 1.00 0.00 C ATOM 990 O PRO A 69 -5.395 -6.134 -10.860 1.00 0.00 O ATOM 991 CB PRO A 69 -4.215 -3.814 -10.072 1.00 0.00 C ATOM 992 CG PRO A 69 -2.781 -4.215 -10.050 1.00 0.00 C ATOM 993 CD PRO A 69 -2.472 -4.546 -8.617 1.00 0.00 C ATOM 0 HA PRO A 69 -5.714 -4.214 -8.502 1.00 0.00 H new ATOM 0 HB2 PRO A 69 -4.658 -3.979 -11.054 1.00 0.00 H new ATOM 0 HB3 PRO A 69 -4.334 -2.755 -9.842 1.00 0.00 H new ATOM 0 HG2 PRO A 69 -2.605 -5.075 -10.697 1.00 0.00 H new ATOM 0 HG3 PRO A 69 -2.143 -3.408 -10.412 1.00 0.00 H new ATOM 0 HD2 PRO A 69 -1.713 -5.325 -8.538 1.00 0.00 H new ATOM 0 HD3 PRO A 69 -2.095 -3.678 -8.075 1.00 0.00 H new ATOM 1001 N LYS A 70 -6.020 -6.824 -8.812 1.00 0.00 N ATOM 1002 CA LYS A 70 -6.609 -8.068 -9.292 1.00 0.00 C ATOM 1003 C LYS A 70 -7.969 -7.820 -9.936 1.00 0.00 C ATOM 1004 O LYS A 70 -8.531 -6.731 -9.825 1.00 0.00 O ATOM 1005 CB LYS A 70 -6.754 -9.064 -8.140 1.00 0.00 C ATOM 1006 CG LYS A 70 -7.737 -8.616 -7.071 1.00 0.00 C ATOM 1007 CD LYS A 70 -7.631 -9.471 -5.819 1.00 0.00 C ATOM 1008 CE LYS A 70 -8.442 -8.887 -4.674 1.00 0.00 C ATOM 1009 NZ LYS A 70 -7.618 -8.002 -3.804 1.00 0.00 N ATOM 0 H LYS A 70 -6.081 -6.691 -7.803 1.00 0.00 H new ATOM 0 HA LYS A 70 -5.943 -8.485 -10.047 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -7.077 -10.025 -8.540 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -5.778 -9.222 -7.681 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -7.548 -7.573 -6.817 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -8.752 -8.670 -7.464 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -7.981 -10.480 -6.036 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -6.586 -9.553 -5.521 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -9.282 -8.321 -5.076 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -8.861 -9.696 -4.076 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -8.208 -7.624 -3.035 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -6.831 -8.548 -3.400 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -7.239 -7.215 -4.369 1.00 0.00 H new ATOM 1023 N GLN A 71 -8.494 -8.842 -10.604 1.00 0.00 N ATOM 1024 CA GLN A 71 -9.791 -8.742 -11.261 1.00 0.00 C ATOM 1025 C GLN A 71 -10.592 -10.031 -11.070 1.00 0.00 C ATOM 1026 O GLN A 71 -11.336 -10.164 -10.099 1.00 0.00 O ATOM 1027 CB GLN A 71 -9.612 -8.435 -12.752 1.00 0.00 C ATOM 1028 CG GLN A 71 -9.726 -6.957 -13.086 1.00 0.00 C ATOM 1029 CD GLN A 71 -8.442 -6.198 -12.814 1.00 0.00 C ATOM 1030 OE1 GLN A 71 -8.379 -5.363 -11.911 1.00 0.00 O ATOM 1031 NE2 GLN A 71 -7.407 -6.485 -13.596 1.00 0.00 N ATOM 0 H GLN A 71 -8.040 -9.750 -10.704 1.00 0.00 H new ATOM 0 HA GLN A 71 -10.347 -7.923 -10.804 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -8.636 -8.798 -13.075 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -10.361 -8.986 -13.321 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -9.994 -6.845 -14.136 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -10.534 -6.517 -12.502 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -7.503 -7.184 -14.333 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -6.517 -6.006 -13.460 1.00 0.00 H new ATOM 1040 N ARG A 72 -10.430 -10.982 -11.994 1.00 0.00 N ATOM 1041 CA ARG A 72 -11.132 -12.263 -11.920 1.00 0.00 C ATOM 1042 C ARG A 72 -10.999 -13.032 -13.236 1.00 0.00 C ATOM 1043 O ARG A 72 -10.454 -14.136 -13.264 1.00 0.00 O ATOM 1044 CB ARG A 72 -12.614 -12.057 -11.566 1.00 0.00 C ATOM 1045 CG ARG A 72 -13.494 -13.270 -11.844 1.00 0.00 C ATOM 1046 CD ARG A 72 -14.429 -13.567 -10.681 1.00 0.00 C ATOM 1047 NE ARG A 72 -15.823 -13.289 -11.015 1.00 0.00 N ATOM 1048 CZ ARG A 72 -16.534 -14.001 -11.886 1.00 0.00 C ATOM 1049 NH1 ARG A 72 -15.986 -15.037 -12.510 1.00 0.00 N ATOM 1050 NH2 ARG A 72 -17.796 -13.679 -12.132 1.00 0.00 N ATOM 0 H ARG A 72 -9.817 -10.887 -12.804 1.00 0.00 H new ATOM 0 HA ARG A 72 -10.670 -12.853 -11.128 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -12.692 -11.799 -10.510 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -12.997 -11.207 -12.131 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -14.080 -13.095 -12.746 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -12.865 -14.139 -12.036 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -14.327 -14.613 -10.392 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -14.136 -12.968 -9.819 1.00 0.00 H new ATOM 0 HE ARG A 72 -16.279 -12.502 -10.553 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -15.016 -15.290 -12.323 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -16.535 -15.580 -13.177 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -18.222 -12.885 -11.654 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -18.341 -14.225 -12.800 1.00 0.00 H new ATOM 1064 N PRO A 73 -11.496 -12.462 -14.351 1.00 0.00 N ATOM 1065 CA PRO A 73 -11.425 -13.111 -15.666 1.00 0.00 C ATOM 1066 C PRO A 73 -9.993 -13.236 -16.175 1.00 0.00 C ATOM 1067 O PRO A 73 -9.040 -12.913 -15.467 1.00 0.00 O ATOM 1068 CB PRO A 73 -12.233 -12.179 -16.572 1.00 0.00 C ATOM 1069 CG PRO A 73 -12.187 -10.854 -15.894 1.00 0.00 C ATOM 1070 CD PRO A 73 -12.165 -11.150 -14.422 1.00 0.00 C ATOM 0 HA PRO A 73 -11.807 -14.131 -15.634 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -11.801 -12.127 -17.571 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -13.259 -12.530 -16.686 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -11.302 -10.292 -16.193 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -13.054 -10.249 -16.159 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -11.618 -10.389 -13.867 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -13.171 -11.188 -14.004 1.00 0.00 H new ATOM 1078 N GLY A 74 -9.851 -13.710 -17.409 1.00 0.00 N ATOM 1079 CA GLY A 74 -8.535 -13.870 -17.996 1.00 0.00 C ATOM 1080 C GLY A 74 -8.560 -13.780 -19.509 1.00 0.00 C ATOM 1081 O GLY A 74 -7.549 -14.146 -20.143 1.00 0.00 O ATOM 1082 OXT GLY A 74 -9.593 -13.342 -20.060 1.00 0.00 O ATOM 0 H GLY A 74 -10.625 -13.986 -18.013 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -7.869 -13.103 -17.601 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -8.123 -14.835 -17.699 1.00 0.00 H new TER 1086 GLY A 74