USER MOD reduce.3.24.130724 H: found=0, std=0, add=658, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 657 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 7 ASN : amide:sc= -0.391 K(o=-2,f=-2.8) USER MOD Set 1.2: A 76 TYR OH : rot 30:sc= -1.61 USER MOD Single : A 1 MET CE :methyl -143:sc= -0.134 (180deg=-0.883) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 LYS NZ :NH3+ -152:sc= -0.156 (180deg=-0.574) USER MOD Single : A 10 LYS NZ :NH3+ -165:sc= -0.855 (180deg=-1.03) USER MOD Single : A 14 SER OG : rot -60:sc= 0.274 USER MOD Single : A 20 CYS SG : rot 180:sc= 0.0674 USER MOD Single : A 21 SER OG : rot 93:sc= 1.13 USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 LYS NZ :NH3+ -162:sc=-0.00572 (180deg=-0.368) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 31 HIS : no HE2:sc= -0.159 K(o=-0.16,f=-3!) USER MOD Single : A 35 SER OG : rot 60:sc= 0.139 USER MOD Single : A 39 THR OG1 : rot 66:sc= -0.74 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 48 SER OG : rot 180:sc= 0.0224 USER MOD Single : A 50 GLN : amide:sc= -2.41 K(o=-2.4,f=-9.1!) USER MOD Single : A 51 SER OG : rot 180:sc= 0.251 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 GLN : amide:sc= -0.708 K(o=-0.71,f=-4.2!) USER MOD Single : A 58 TYR OH : rot 76:sc= 1.13 USER MOD Single : A 60 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 LYS NZ :NH3+ -115:sc= 0.0182 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -11.443 22.649 -0.665 1.00 0.00 N ATOM 2 CA MET A 1 -11.518 21.722 -1.830 1.00 0.00 C ATOM 3 C MET A 1 -10.327 20.758 -1.819 1.00 0.00 C ATOM 4 O MET A 1 -9.667 20.562 -2.822 1.00 0.00 O ATOM 5 CB MET A 1 -11.464 22.627 -3.061 1.00 0.00 C ATOM 6 CG MET A 1 -12.145 21.929 -4.239 1.00 0.00 C ATOM 7 SD MET A 1 -12.082 23.002 -5.695 1.00 0.00 S ATOM 8 CE MET A 1 -13.295 24.221 -5.131 1.00 0.00 C ATOM 0 H1 MET A 1 -12.256 23.297 -0.684 1.00 0.00 H new ATOM 0 H2 MET A 1 -11.459 22.099 0.218 1.00 0.00 H new ATOM 0 H3 MET A 1 -10.561 23.198 -0.715 1.00 0.00 H new ATOM 0 HA MET A 1 -12.420 21.111 -1.813 1.00 0.00 H new ATOM 0 HB2 MET A 1 -11.960 23.575 -2.851 1.00 0.00 H new ATOM 0 HB3 MET A 1 -10.428 22.857 -3.311 1.00 0.00 H new ATOM 0 HG2 MET A 1 -11.649 20.982 -4.450 1.00 0.00 H new ATOM 0 HG3 MET A 1 -13.180 21.698 -3.989 1.00 0.00 H new ATOM 0 HE1 MET A 1 -13.894 24.557 -5.978 1.00 0.00 H new ATOM 0 HE2 MET A 1 -13.946 23.768 -4.384 1.00 0.00 H new ATOM 0 HE3 MET A 1 -12.777 25.073 -4.692 1.00 0.00 H new ATOM 20 N LYS A 2 -10.049 20.155 -0.687 1.00 0.00 N ATOM 21 CA LYS A 2 -8.898 19.194 -0.588 1.00 0.00 C ATOM 22 C LYS A 2 -7.604 19.839 -1.101 1.00 0.00 C ATOM 23 O LYS A 2 -7.582 20.999 -1.468 1.00 0.00 O ATOM 24 CB LYS A 2 -9.288 18.000 -1.464 1.00 0.00 C ATOM 25 CG LYS A 2 -10.051 16.975 -0.622 1.00 0.00 C ATOM 26 CD LYS A 2 -11.453 17.509 -0.314 1.00 0.00 C ATOM 27 CE LYS A 2 -12.370 16.351 0.075 1.00 0.00 C ATOM 28 NZ LYS A 2 -13.652 16.614 -0.636 1.00 0.00 N ATOM 0 H LYS A 2 -10.572 20.287 0.179 1.00 0.00 H new ATOM 0 HA LYS A 2 -8.710 18.897 0.444 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -9.906 18.334 -2.297 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -8.396 17.543 -1.892 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -10.120 16.028 -1.157 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -9.513 16.778 0.306 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -11.406 18.236 0.496 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -11.855 18.027 -1.185 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -11.943 15.393 -0.223 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -12.519 16.312 1.154 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -14.332 15.858 -0.416 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -14.039 17.529 -0.327 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -13.481 16.639 -1.662 1.00 0.00 H new ATOM 42 N LYS A 3 -6.525 19.093 -1.126 1.00 0.00 N ATOM 43 CA LYS A 3 -5.215 19.646 -1.611 1.00 0.00 C ATOM 44 C LYS A 3 -4.866 20.943 -0.869 1.00 0.00 C ATOM 45 O LYS A 3 -4.990 22.028 -1.406 1.00 0.00 O ATOM 46 CB LYS A 3 -5.416 19.917 -3.105 1.00 0.00 C ATOM 47 CG LYS A 3 -4.055 19.956 -3.804 1.00 0.00 C ATOM 48 CD LYS A 3 -4.256 20.211 -5.299 1.00 0.00 C ATOM 49 CE LYS A 3 -4.748 18.928 -5.975 1.00 0.00 C ATOM 50 NZ LYS A 3 -4.776 19.248 -7.429 1.00 0.00 N ATOM 0 H LYS A 3 -6.493 18.118 -0.830 1.00 0.00 H new ATOM 0 HA LYS A 3 -4.393 18.953 -1.432 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -6.041 19.140 -3.546 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -5.937 20.864 -3.247 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -3.434 20.740 -3.371 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -3.529 19.013 -3.653 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -4.979 21.013 -5.448 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -3.320 20.537 -5.752 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -4.081 18.091 -5.767 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -5.737 18.645 -5.614 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -5.104 18.417 -7.961 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -5.424 20.044 -7.597 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -3.820 19.507 -7.746 1.00 0.00 H new ATOM 64 N LYS A 4 -4.435 20.832 0.362 1.00 0.00 N ATOM 65 CA LYS A 4 -4.081 22.051 1.150 1.00 0.00 C ATOM 66 C LYS A 4 -2.928 22.808 0.478 1.00 0.00 C ATOM 67 O LYS A 4 -3.134 23.823 -0.158 1.00 0.00 O ATOM 68 CB LYS A 4 -3.659 21.534 2.530 1.00 0.00 C ATOM 69 CG LYS A 4 -4.902 21.143 3.331 1.00 0.00 C ATOM 70 CD LYS A 4 -4.505 20.187 4.457 1.00 0.00 C ATOM 71 CE LYS A 4 -3.924 20.986 5.626 1.00 0.00 C ATOM 72 NZ LYS A 4 -2.448 20.915 5.446 1.00 0.00 N ATOM 0 H LYS A 4 -4.313 19.948 0.856 1.00 0.00 H new ATOM 0 HA LYS A 4 -4.916 22.748 1.219 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -2.998 20.674 2.421 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -3.098 22.302 3.062 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -5.375 22.033 3.746 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -5.634 20.668 2.678 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -5.374 19.618 4.788 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -3.771 19.467 4.095 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -4.274 22.018 5.611 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -4.226 20.561 6.583 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -1.981 20.995 6.372 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -2.195 20.006 5.008 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -2.135 21.694 4.833 1.00 0.00 H new ATOM 86 N ASP A 5 -1.718 22.324 0.625 1.00 0.00 N ATOM 87 CA ASP A 5 -0.549 23.019 0.006 1.00 0.00 C ATOM 88 C ASP A 5 -0.074 22.265 -1.249 1.00 0.00 C ATOM 89 O ASP A 5 -0.377 21.101 -1.417 1.00 0.00 O ATOM 90 CB ASP A 5 0.535 23.008 1.086 1.00 0.00 C ATOM 91 CG ASP A 5 0.641 24.394 1.726 1.00 0.00 C ATOM 92 OD1 ASP A 5 0.914 25.339 1.005 1.00 0.00 O ATOM 93 OD2 ASP A 5 0.445 24.487 2.928 1.00 0.00 O ATOM 0 H ASP A 5 -1.491 21.478 1.147 1.00 0.00 H new ATOM 0 HA ASP A 5 -0.796 24.031 -0.315 1.00 0.00 H new ATOM 0 HB2 ASP A 5 0.297 22.263 1.846 1.00 0.00 H new ATOM 0 HB3 ASP A 5 1.493 22.724 0.650 1.00 0.00 H new ATOM 98 N PRO A 6 0.649 22.960 -2.106 1.00 0.00 N ATOM 99 CA PRO A 6 1.149 22.335 -3.358 1.00 0.00 C ATOM 100 C PRO A 6 2.357 21.423 -3.099 1.00 0.00 C ATOM 101 O PRO A 6 2.715 20.618 -3.938 1.00 0.00 O ATOM 102 CB PRO A 6 1.570 23.525 -4.209 1.00 0.00 C ATOM 103 CG PRO A 6 1.877 24.621 -3.239 1.00 0.00 C ATOM 104 CD PRO A 6 1.063 24.370 -1.997 1.00 0.00 C ATOM 0 HA PRO A 6 0.395 21.704 -3.827 1.00 0.00 H new ATOM 0 HB2 PRO A 6 2.442 23.284 -4.817 1.00 0.00 H new ATOM 0 HB3 PRO A 6 0.775 23.819 -4.894 1.00 0.00 H new ATOM 0 HG2 PRO A 6 2.941 24.637 -3.003 1.00 0.00 H new ATOM 0 HG3 PRO A 6 1.631 25.592 -3.668 1.00 0.00 H new ATOM 0 HD2 PRO A 6 1.651 24.542 -1.096 1.00 0.00 H new ATOM 0 HD3 PRO A 6 0.200 25.034 -1.947 1.00 0.00 H new ATOM 112 N ASN A 7 2.990 21.544 -1.959 1.00 0.00 N ATOM 113 CA ASN A 7 4.179 20.682 -1.667 1.00 0.00 C ATOM 114 C ASN A 7 4.124 20.123 -0.237 1.00 0.00 C ATOM 115 O ASN A 7 5.124 19.682 0.298 1.00 0.00 O ATOM 116 CB ASN A 7 5.390 21.605 -1.840 1.00 0.00 C ATOM 117 CG ASN A 7 5.290 22.789 -0.874 1.00 0.00 C ATOM 118 OD1 ASN A 7 5.534 22.647 0.308 1.00 0.00 O ATOM 119 ND2 ASN A 7 4.938 23.961 -1.330 1.00 0.00 N ATOM 0 H ASN A 7 2.737 22.200 -1.220 1.00 0.00 H new ATOM 0 HA ASN A 7 4.221 19.817 -2.329 1.00 0.00 H new ATOM 0 HB2 ASN A 7 6.310 21.050 -1.654 1.00 0.00 H new ATOM 0 HB3 ASN A 7 5.438 21.966 -2.867 1.00 0.00 H new ATOM 0 HD21 ASN A 7 4.868 24.756 -0.694 1.00 0.00 H new ATOM 0 HD22 ASN A 7 4.733 24.082 -2.322 1.00 0.00 H new ATOM 126 N ALA A 8 2.969 20.135 0.380 1.00 0.00 N ATOM 127 CA ALA A 8 2.855 19.601 1.771 1.00 0.00 C ATOM 128 C ALA A 8 2.159 18.228 1.757 1.00 0.00 C ATOM 129 O ALA A 8 1.075 18.104 1.223 1.00 0.00 O ATOM 130 CB ALA A 8 2.000 20.624 2.519 1.00 0.00 C ATOM 0 H ALA A 8 2.101 20.491 -0.019 1.00 0.00 H new ATOM 0 HA ALA A 8 3.829 19.461 2.240 1.00 0.00 H new ATOM 0 HB1 ALA A 8 1.869 20.303 3.552 1.00 0.00 H new ATOM 0 HB2 ALA A 8 2.495 21.595 2.500 1.00 0.00 H new ATOM 0 HB3 ALA A 8 1.025 20.704 2.038 1.00 0.00 H new ATOM 136 N PRO A 9 2.793 17.229 2.344 1.00 0.00 N ATOM 137 CA PRO A 9 2.184 15.875 2.373 1.00 0.00 C ATOM 138 C PRO A 9 1.003 15.846 3.349 1.00 0.00 C ATOM 139 O PRO A 9 1.166 16.064 4.535 1.00 0.00 O ATOM 140 CB PRO A 9 3.316 14.978 2.866 1.00 0.00 C ATOM 141 CG PRO A 9 4.216 15.883 3.641 1.00 0.00 C ATOM 142 CD PRO A 9 4.102 17.251 3.022 1.00 0.00 C ATOM 0 HA PRO A 9 1.792 15.561 1.406 1.00 0.00 H new ATOM 0 HB2 PRO A 9 2.936 14.170 3.491 1.00 0.00 H new ATOM 0 HB3 PRO A 9 3.844 14.515 2.033 1.00 0.00 H new ATOM 0 HG2 PRO A 9 3.925 15.909 4.691 1.00 0.00 H new ATOM 0 HG3 PRO A 9 5.246 15.527 3.604 1.00 0.00 H new ATOM 0 HD2 PRO A 9 4.147 18.036 3.777 1.00 0.00 H new ATOM 0 HD3 PRO A 9 4.913 17.439 2.318 1.00 0.00 H new ATOM 150 N LYS A 10 -0.182 15.583 2.857 1.00 0.00 N ATOM 151 CA LYS A 10 -1.373 15.543 3.747 1.00 0.00 C ATOM 152 C LYS A 10 -2.154 14.245 3.539 1.00 0.00 C ATOM 153 O LYS A 10 -3.362 14.205 3.683 1.00 0.00 O ATOM 154 CB LYS A 10 -2.210 16.761 3.349 1.00 0.00 C ATOM 155 CG LYS A 10 -2.624 16.665 1.870 1.00 0.00 C ATOM 156 CD LYS A 10 -2.146 17.906 1.110 1.00 0.00 C ATOM 157 CE LYS A 10 -2.100 17.602 -0.388 1.00 0.00 C ATOM 158 NZ LYS A 10 -1.314 18.718 -0.983 1.00 0.00 N ATOM 0 H LYS A 10 -0.372 15.394 1.873 1.00 0.00 H new ATOM 0 HA LYS A 10 -1.100 15.571 4.802 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -3.098 16.822 3.979 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -1.638 17.674 3.515 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -2.197 15.768 1.422 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -3.708 16.576 1.792 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -2.817 18.743 1.301 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -1.158 18.203 1.462 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -1.627 16.639 -0.581 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -3.103 17.555 -0.812 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -1.449 18.726 -2.014 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -1.638 19.622 -0.584 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -0.305 18.586 -0.767 1.00 0.00 H new ATOM 172 N ARG A 11 -1.467 13.190 3.206 1.00 0.00 N ATOM 173 CA ARG A 11 -2.148 11.878 2.986 1.00 0.00 C ATOM 174 C ARG A 11 -1.123 10.735 3.052 1.00 0.00 C ATOM 175 O ARG A 11 -0.609 10.315 2.035 1.00 0.00 O ATOM 176 CB ARG A 11 -2.762 11.974 1.584 1.00 0.00 C ATOM 177 CG ARG A 11 -4.282 12.124 1.695 1.00 0.00 C ATOM 178 CD ARG A 11 -4.800 12.972 0.532 1.00 0.00 C ATOM 179 NE ARG A 11 -6.272 12.753 0.523 1.00 0.00 N ATOM 180 CZ ARG A 11 -7.026 13.355 1.401 1.00 0.00 C ATOM 181 NH1 ARG A 11 -7.090 12.905 2.625 1.00 0.00 N ATOM 182 NH2 ARG A 11 -7.718 14.407 1.057 1.00 0.00 N ATOM 0 H ARG A 11 -0.456 13.177 3.075 1.00 0.00 H new ATOM 0 HA ARG A 11 -2.904 11.672 3.744 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -2.341 12.826 1.050 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -2.516 11.083 1.007 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -4.756 11.143 1.682 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -4.543 12.592 2.644 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -4.558 14.025 0.673 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -4.349 12.665 -0.412 1.00 0.00 H new ATOM 0 HE ARG A 11 -6.691 12.132 -0.169 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -6.550 12.083 2.895 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -7.680 13.376 3.311 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -7.670 14.759 0.101 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -8.307 14.877 1.744 1.00 0.00 H new ATOM 196 N PRO A 12 -0.850 10.263 4.251 1.00 0.00 N ATOM 197 CA PRO A 12 0.124 9.164 4.419 1.00 0.00 C ATOM 198 C PRO A 12 -0.550 7.806 4.151 1.00 0.00 C ATOM 199 O PRO A 12 -1.471 7.437 4.851 1.00 0.00 O ATOM 200 CB PRO A 12 0.541 9.276 5.880 1.00 0.00 C ATOM 201 CG PRO A 12 -0.599 9.953 6.576 1.00 0.00 C ATOM 202 CD PRO A 12 -1.410 10.695 5.540 1.00 0.00 C ATOM 0 HA PRO A 12 0.967 9.231 3.731 1.00 0.00 H new ATOM 0 HB2 PRO A 12 0.733 8.292 6.309 1.00 0.00 H new ATOM 0 HB3 PRO A 12 1.460 9.853 5.982 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -1.220 9.220 7.091 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -0.226 10.643 7.333 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -2.469 10.448 5.615 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -1.324 11.774 5.668 1.00 0.00 H new ATOM 210 N PRO A 13 -0.075 7.096 3.147 1.00 0.00 N ATOM 211 CA PRO A 13 -0.667 5.779 2.822 1.00 0.00 C ATOM 212 C PRO A 13 -0.115 4.707 3.765 1.00 0.00 C ATOM 213 O PRO A 13 0.774 4.966 4.554 1.00 0.00 O ATOM 214 CB PRO A 13 -0.219 5.527 1.387 1.00 0.00 C ATOM 215 CG PRO A 13 1.031 6.334 1.207 1.00 0.00 C ATOM 216 CD PRO A 13 1.027 7.437 2.237 1.00 0.00 C ATOM 0 HA PRO A 13 -1.751 5.754 2.931 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -0.029 4.467 1.216 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -0.988 5.832 0.677 1.00 0.00 H new ATOM 0 HG2 PRO A 13 1.912 5.704 1.327 1.00 0.00 H new ATOM 0 HG3 PRO A 13 1.073 6.752 0.201 1.00 0.00 H new ATOM 0 HD2 PRO A 13 1.978 7.486 2.768 1.00 0.00 H new ATOM 0 HD3 PRO A 13 0.870 8.411 1.773 1.00 0.00 H new ATOM 224 N SER A 14 -0.637 3.509 3.692 1.00 0.00 N ATOM 225 CA SER A 14 -0.146 2.419 4.586 1.00 0.00 C ATOM 226 C SER A 14 -0.660 1.058 4.105 1.00 0.00 C ATOM 227 O SER A 14 -1.384 0.376 4.805 1.00 0.00 O ATOM 228 CB SER A 14 -0.717 2.756 5.964 1.00 0.00 C ATOM 229 OG SER A 14 -0.278 1.785 6.904 1.00 0.00 O ATOM 0 H SER A 14 -1.383 3.239 3.051 1.00 0.00 H new ATOM 0 HA SER A 14 0.942 2.354 4.598 1.00 0.00 H new ATOM 0 HB2 SER A 14 -0.392 3.750 6.272 1.00 0.00 H new ATOM 0 HB3 SER A 14 -1.806 2.775 5.925 1.00 0.00 H new ATOM 0 HG SER A 14 -0.593 0.898 6.630 1.00 0.00 H new ATOM 235 N ALA A 15 -0.302 0.658 2.904 1.00 0.00 N ATOM 236 CA ALA A 15 -0.768 -0.654 2.341 1.00 0.00 C ATOM 237 C ALA A 15 -2.271 -0.604 2.072 1.00 0.00 C ATOM 238 O ALA A 15 -2.694 -0.457 0.942 1.00 0.00 O ATOM 239 CB ALA A 15 -0.419 -1.746 3.370 1.00 0.00 C ATOM 0 H ALA A 15 0.303 1.194 2.281 1.00 0.00 H new ATOM 0 HA ALA A 15 -0.278 -0.870 1.392 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -0.743 -2.717 2.995 1.00 0.00 H new ATOM 0 HB2 ALA A 15 0.659 -1.762 3.533 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -0.925 -1.534 4.312 1.00 0.00 H new ATOM 245 N PHE A 16 -3.087 -0.725 3.093 1.00 0.00 N ATOM 246 CA PHE A 16 -4.574 -0.684 2.891 1.00 0.00 C ATOM 247 C PHE A 16 -4.980 0.542 2.064 1.00 0.00 C ATOM 248 O PHE A 16 -5.773 0.447 1.146 1.00 0.00 O ATOM 249 CB PHE A 16 -5.156 -0.575 4.297 1.00 0.00 C ATOM 250 CG PHE A 16 -6.611 -0.977 4.277 1.00 0.00 C ATOM 251 CD1 PHE A 16 -7.550 -0.173 3.618 1.00 0.00 C ATOM 252 CD2 PHE A 16 -7.024 -2.152 4.916 1.00 0.00 C ATOM 253 CE1 PHE A 16 -8.899 -0.543 3.600 1.00 0.00 C ATOM 254 CE2 PHE A 16 -8.373 -2.523 4.898 1.00 0.00 C ATOM 255 CZ PHE A 16 -9.312 -1.718 4.239 1.00 0.00 C ATOM 0 H PHE A 16 -2.788 -0.851 4.060 1.00 0.00 H new ATOM 0 HA PHE A 16 -4.932 -1.562 2.353 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -4.601 -1.216 4.982 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -5.056 0.446 4.665 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -7.232 0.733 3.124 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -6.301 -2.773 5.423 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -9.622 0.078 3.093 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -8.691 -3.429 5.392 1.00 0.00 H new ATOM 0 HZ PHE A 16 -10.353 -2.004 4.224 1.00 0.00 H new ATOM 265 N PHE A 17 -4.434 1.686 2.387 1.00 0.00 N ATOM 266 CA PHE A 17 -4.777 2.924 1.625 1.00 0.00 C ATOM 267 C PHE A 17 -4.382 2.755 0.157 1.00 0.00 C ATOM 268 O PHE A 17 -4.988 3.333 -0.725 1.00 0.00 O ATOM 269 CB PHE A 17 -3.957 4.040 2.277 1.00 0.00 C ATOM 270 CG PHE A 17 -4.654 5.364 2.070 1.00 0.00 C ATOM 271 CD1 PHE A 17 -5.756 5.706 2.863 1.00 0.00 C ATOM 272 CD2 PHE A 17 -4.197 6.249 1.087 1.00 0.00 C ATOM 273 CE1 PHE A 17 -6.402 6.933 2.672 1.00 0.00 C ATOM 274 CE2 PHE A 17 -4.842 7.476 0.895 1.00 0.00 C ATOM 275 CZ PHE A 17 -5.944 7.819 1.688 1.00 0.00 C ATOM 0 H PHE A 17 -3.765 1.816 3.146 1.00 0.00 H new ATOM 0 HA PHE A 17 -5.844 3.143 1.650 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -3.837 3.843 3.342 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -2.957 4.072 1.844 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -6.108 5.023 3.622 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -3.346 5.985 0.476 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -7.253 7.197 3.283 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -4.490 8.158 0.135 1.00 0.00 H new ATOM 0 HZ PHE A 17 -6.441 8.767 1.541 1.00 0.00 H new ATOM 285 N LEU A 18 -3.364 1.974 -0.109 1.00 0.00 N ATOM 286 CA LEU A 18 -2.917 1.768 -1.522 1.00 0.00 C ATOM 287 C LEU A 18 -3.806 0.732 -2.212 1.00 0.00 C ATOM 288 O LEU A 18 -4.102 0.842 -3.387 1.00 0.00 O ATOM 289 CB LEU A 18 -1.473 1.236 -1.436 1.00 0.00 C ATOM 290 CG LEU A 18 -0.607 2.110 -0.514 1.00 0.00 C ATOM 291 CD1 LEU A 18 0.831 1.587 -0.528 1.00 0.00 C ATOM 292 CD2 LEU A 18 -0.618 3.562 -1.004 1.00 0.00 C ATOM 0 H LEU A 18 -2.822 1.469 0.593 1.00 0.00 H new ATOM 0 HA LEU A 18 -2.977 2.693 -2.096 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -1.483 0.211 -1.065 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -1.033 1.210 -2.433 1.00 0.00 H new ATOM 0 HG LEU A 18 -1.010 2.069 0.498 1.00 0.00 H new ATOM 0 HD11 LEU A 18 1.449 2.204 0.125 1.00 0.00 H new ATOM 0 HD12 LEU A 18 0.847 0.556 -0.174 1.00 0.00 H new ATOM 0 HD13 LEU A 18 1.223 1.628 -1.544 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -0.002 4.173 -0.345 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -0.220 3.607 -2.018 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -1.640 3.940 -0.999 1.00 0.00 H new ATOM 304 N PHE A 19 -4.227 -0.276 -1.490 1.00 0.00 N ATOM 305 CA PHE A 19 -5.092 -1.332 -2.100 1.00 0.00 C ATOM 306 C PHE A 19 -6.477 -0.766 -2.420 1.00 0.00 C ATOM 307 O PHE A 19 -6.955 -0.874 -3.530 1.00 0.00 O ATOM 308 CB PHE A 19 -5.196 -2.432 -1.042 1.00 0.00 C ATOM 309 CG PHE A 19 -5.778 -3.678 -1.666 1.00 0.00 C ATOM 310 CD1 PHE A 19 -7.147 -3.745 -1.951 1.00 0.00 C ATOM 311 CD2 PHE A 19 -4.948 -4.767 -1.957 1.00 0.00 C ATOM 312 CE1 PHE A 19 -7.686 -4.900 -2.530 1.00 0.00 C ATOM 313 CE2 PHE A 19 -5.487 -5.923 -2.535 1.00 0.00 C ATOM 314 CZ PHE A 19 -6.857 -5.989 -2.821 1.00 0.00 C ATOM 0 H PHE A 19 -4.009 -0.413 -0.503 1.00 0.00 H new ATOM 0 HA PHE A 19 -4.677 -1.707 -3.036 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -4.211 -2.646 -0.627 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -5.824 -2.099 -0.216 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -7.787 -2.905 -1.724 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -3.892 -4.716 -1.736 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -8.742 -4.951 -2.752 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -4.847 -6.763 -2.760 1.00 0.00 H new ATOM 0 HZ PHE A 19 -7.273 -6.881 -3.266 1.00 0.00 H new ATOM 324 N CYS A 20 -7.116 -0.154 -1.457 1.00 0.00 N ATOM 325 CA CYS A 20 -8.469 0.429 -1.711 1.00 0.00 C ATOM 326 C CYS A 20 -8.365 1.560 -2.738 1.00 0.00 C ATOM 327 O CYS A 20 -9.289 1.827 -3.479 1.00 0.00 O ATOM 328 CB CYS A 20 -8.935 0.973 -0.359 1.00 0.00 C ATOM 329 SG CYS A 20 -10.744 1.058 -0.335 1.00 0.00 S ATOM 0 H CYS A 20 -6.762 -0.032 -0.508 1.00 0.00 H new ATOM 0 HA CYS A 20 -9.167 -0.306 -2.111 1.00 0.00 H new ATOM 0 HB2 CYS A 20 -8.580 0.330 0.446 1.00 0.00 H new ATOM 0 HB3 CYS A 20 -8.511 1.962 -0.187 1.00 0.00 H new ATOM 0 HG CYS A 20 -11.142 1.518 0.814 1.00 0.00 H new ATOM 335 N SER A 21 -7.244 2.231 -2.772 1.00 0.00 N ATOM 336 CA SER A 21 -7.067 3.361 -3.735 1.00 0.00 C ATOM 337 C SER A 21 -6.968 2.858 -5.182 1.00 0.00 C ATOM 338 O SER A 21 -7.085 3.635 -6.112 1.00 0.00 O ATOM 339 CB SER A 21 -5.758 4.035 -3.323 1.00 0.00 C ATOM 340 OG SER A 21 -6.019 4.975 -2.288 1.00 0.00 O ATOM 0 H SER A 21 -6.440 2.045 -2.173 1.00 0.00 H new ATOM 0 HA SER A 21 -7.917 4.042 -3.704 1.00 0.00 H new ATOM 0 HB2 SER A 21 -5.043 3.287 -2.979 1.00 0.00 H new ATOM 0 HB3 SER A 21 -5.308 4.536 -4.180 1.00 0.00 H new ATOM 0 HG SER A 21 -5.887 4.547 -1.416 1.00 0.00 H new ATOM 346 N GLU A 22 -6.738 1.580 -5.391 1.00 0.00 N ATOM 347 CA GLU A 22 -6.616 1.074 -6.798 1.00 0.00 C ATOM 348 C GLU A 22 -7.533 -0.133 -7.071 1.00 0.00 C ATOM 349 O GLU A 22 -7.786 -0.461 -8.216 1.00 0.00 O ATOM 350 CB GLU A 22 -5.142 0.678 -6.950 1.00 0.00 C ATOM 351 CG GLU A 22 -4.786 -0.448 -5.967 1.00 0.00 C ATOM 352 CD GLU A 22 -4.508 -1.742 -6.737 1.00 0.00 C ATOM 353 OE1 GLU A 22 -5.453 -2.319 -7.249 1.00 0.00 O ATOM 354 OE2 GLU A 22 -3.354 -2.134 -6.800 1.00 0.00 O ATOM 0 H GLU A 22 -6.631 0.876 -4.661 1.00 0.00 H new ATOM 0 HA GLU A 22 -6.924 1.836 -7.514 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -4.950 0.351 -7.972 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -4.505 1.544 -6.767 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -3.911 -0.168 -5.381 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -5.605 -0.601 -5.264 1.00 0.00 H new ATOM 361 N TYR A 23 -8.023 -0.802 -6.053 1.00 0.00 N ATOM 362 CA TYR A 23 -8.906 -1.988 -6.301 1.00 0.00 C ATOM 363 C TYR A 23 -10.387 -1.587 -6.355 1.00 0.00 C ATOM 364 O TYR A 23 -11.258 -2.432 -6.284 1.00 0.00 O ATOM 365 CB TYR A 23 -8.655 -2.936 -5.127 1.00 0.00 C ATOM 366 CG TYR A 23 -7.502 -3.852 -5.460 1.00 0.00 C ATOM 367 CD1 TYR A 23 -7.681 -4.896 -6.376 1.00 0.00 C ATOM 368 CD2 TYR A 23 -6.254 -3.659 -4.854 1.00 0.00 C ATOM 369 CE1 TYR A 23 -6.613 -5.746 -6.686 1.00 0.00 C ATOM 370 CE2 TYR A 23 -5.187 -4.510 -5.164 1.00 0.00 C ATOM 371 CZ TYR A 23 -5.366 -5.553 -6.080 1.00 0.00 C ATOM 372 OH TYR A 23 -4.314 -6.392 -6.385 1.00 0.00 O ATOM 0 H TYR A 23 -7.852 -0.582 -5.072 1.00 0.00 H new ATOM 0 HA TYR A 23 -8.680 -2.451 -7.262 1.00 0.00 H new ATOM 0 HB2 TYR A 23 -8.432 -2.365 -4.226 1.00 0.00 H new ATOM 0 HB3 TYR A 23 -9.551 -3.521 -4.920 1.00 0.00 H new ATOM 0 HD1 TYR A 23 -8.643 -5.045 -6.843 1.00 0.00 H new ATOM 0 HD2 TYR A 23 -6.115 -2.854 -4.148 1.00 0.00 H new ATOM 0 HE1 TYR A 23 -6.751 -6.551 -7.393 1.00 0.00 H new ATOM 0 HE2 TYR A 23 -4.225 -4.362 -4.696 1.00 0.00 H new ATOM 0 HH TYR A 23 -3.521 -6.119 -5.879 1.00 0.00 H new ATOM 382 N ARG A 24 -10.681 -0.315 -6.491 1.00 0.00 N ATOM 383 CA ARG A 24 -12.103 0.120 -6.561 1.00 0.00 C ATOM 384 C ARG A 24 -12.627 0.192 -8.010 1.00 0.00 C ATOM 385 O ARG A 24 -13.739 -0.226 -8.242 1.00 0.00 O ATOM 386 CB ARG A 24 -12.148 1.500 -5.920 1.00 0.00 C ATOM 387 CG ARG A 24 -12.099 1.359 -4.398 1.00 0.00 C ATOM 388 CD ARG A 24 -12.133 2.749 -3.756 1.00 0.00 C ATOM 389 NE ARG A 24 -12.876 2.565 -2.479 1.00 0.00 N ATOM 390 CZ ARG A 24 -13.670 3.506 -2.046 1.00 0.00 C ATOM 391 NH1 ARG A 24 -13.239 4.735 -1.962 1.00 0.00 N ATOM 392 NH2 ARG A 24 -14.894 3.218 -1.698 1.00 0.00 N ATOM 0 H ARG A 24 -9.994 0.436 -6.556 1.00 0.00 H new ATOM 0 HA ARG A 24 -12.741 -0.600 -6.048 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -11.308 2.101 -6.267 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -13.058 2.021 -6.218 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -12.944 0.765 -4.050 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -11.193 0.831 -4.100 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -11.126 3.125 -3.576 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -12.632 3.470 -4.403 1.00 0.00 H new ATOM 0 HE ARG A 24 -12.765 1.704 -1.943 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -12.282 4.960 -2.235 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -13.859 5.471 -1.624 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -15.230 2.257 -1.764 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -15.514 3.953 -1.360 1.00 0.00 H new ATOM 406 N PRO A 25 -11.843 0.716 -8.951 1.00 0.00 N ATOM 407 CA PRO A 25 -12.336 0.810 -10.354 1.00 0.00 C ATOM 408 C PRO A 25 -12.477 -0.586 -10.964 1.00 0.00 C ATOM 409 O PRO A 25 -13.162 -0.769 -11.954 1.00 0.00 O ATOM 410 CB PRO A 25 -11.277 1.647 -11.067 1.00 0.00 C ATOM 411 CG PRO A 25 -10.039 1.482 -10.257 1.00 0.00 C ATOM 412 CD PRO A 25 -10.466 1.235 -8.832 1.00 0.00 C ATOM 0 HA PRO A 25 -13.324 1.263 -10.434 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -11.127 1.303 -12.090 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -11.574 2.694 -11.123 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -9.444 0.648 -10.630 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -9.415 2.373 -10.322 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -9.811 0.517 -8.339 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -10.435 2.151 -8.243 1.00 0.00 H new ATOM 420 N LYS A 26 -11.872 -1.580 -10.358 1.00 0.00 N ATOM 421 CA LYS A 26 -12.014 -2.969 -10.874 1.00 0.00 C ATOM 422 C LYS A 26 -13.421 -3.454 -10.539 1.00 0.00 C ATOM 423 O LYS A 26 -14.156 -3.920 -11.387 1.00 0.00 O ATOM 424 CB LYS A 26 -10.978 -3.788 -10.107 1.00 0.00 C ATOM 425 CG LYS A 26 -10.859 -5.181 -10.730 1.00 0.00 C ATOM 426 CD LYS A 26 -11.965 -6.083 -10.180 1.00 0.00 C ATOM 427 CE LYS A 26 -11.567 -7.549 -10.365 1.00 0.00 C ATOM 428 NZ LYS A 26 -12.320 -8.287 -9.312 1.00 0.00 N ATOM 0 H LYS A 26 -11.287 -1.484 -9.528 1.00 0.00 H new ATOM 0 HA LYS A 26 -11.864 -3.049 -11.951 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -10.012 -3.284 -10.131 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -11.268 -3.871 -9.060 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -10.937 -5.113 -11.815 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -9.882 -5.609 -10.506 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -12.131 -5.871 -9.124 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -12.904 -5.882 -10.697 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -11.828 -7.906 -11.361 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -10.492 -7.684 -10.250 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -12.099 -9.301 -9.374 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -12.046 -7.930 -8.374 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -13.341 -8.146 -9.452 1.00 0.00 H new ATOM 442 N ILE A 27 -13.795 -3.331 -9.289 1.00 0.00 N ATOM 443 CA ILE A 27 -15.159 -3.762 -8.843 1.00 0.00 C ATOM 444 C ILE A 27 -16.237 -3.122 -9.721 1.00 0.00 C ATOM 445 O ILE A 27 -17.318 -3.652 -9.880 1.00 0.00 O ATOM 446 CB ILE A 27 -15.319 -3.209 -7.410 1.00 0.00 C ATOM 447 CG1 ILE A 27 -14.198 -3.697 -6.476 1.00 0.00 C ATOM 448 CG2 ILE A 27 -16.668 -3.652 -6.840 1.00 0.00 C ATOM 449 CD1 ILE A 27 -14.098 -5.219 -6.505 1.00 0.00 C ATOM 0 H ILE A 27 -13.207 -2.946 -8.550 1.00 0.00 H new ATOM 0 HA ILE A 27 -15.263 -4.845 -8.901 1.00 0.00 H new ATOM 0 HB ILE A 27 -15.263 -2.122 -7.468 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -13.247 -3.259 -6.780 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -14.393 -3.359 -5.458 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -16.781 -3.262 -5.829 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -17.472 -3.269 -7.469 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -16.713 -4.741 -6.816 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -13.299 -5.544 -5.838 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -15.043 -5.652 -6.177 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -13.880 -5.550 -7.520 1.00 0.00 H new ATOM 461 N LYS A 28 -15.956 -1.963 -10.248 1.00 0.00 N ATOM 462 CA LYS A 28 -16.979 -1.245 -11.070 1.00 0.00 C ATOM 463 C LYS A 28 -17.105 -1.900 -12.448 1.00 0.00 C ATOM 464 O LYS A 28 -18.170 -1.920 -13.036 1.00 0.00 O ATOM 465 CB LYS A 28 -16.521 0.231 -11.218 1.00 0.00 C ATOM 466 CG LYS A 28 -15.764 0.773 -9.984 1.00 0.00 C ATOM 467 CD LYS A 28 -16.452 0.411 -8.656 1.00 0.00 C ATOM 468 CE LYS A 28 -17.902 0.906 -8.664 1.00 0.00 C ATOM 469 NZ LYS A 28 -17.803 2.386 -8.536 1.00 0.00 N ATOM 0 H LYS A 28 -15.064 -1.479 -10.147 1.00 0.00 H new ATOM 0 HA LYS A 28 -17.954 -1.292 -10.585 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -15.878 0.317 -12.094 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -17.395 0.857 -11.401 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -14.749 0.375 -9.982 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -15.681 1.857 -10.061 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -16.429 -0.669 -8.507 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -15.911 0.859 -7.823 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -18.411 0.622 -9.585 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -18.471 0.475 -7.840 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -18.720 2.770 -8.231 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -17.076 2.626 -7.832 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -17.544 2.797 -9.455 1.00 0.00 H new ATOM 483 N SER A 29 -16.027 -2.431 -12.965 1.00 0.00 N ATOM 484 CA SER A 29 -16.083 -3.085 -14.310 1.00 0.00 C ATOM 485 C SER A 29 -17.031 -4.290 -14.280 1.00 0.00 C ATOM 486 O SER A 29 -17.580 -4.680 -15.294 1.00 0.00 O ATOM 487 CB SER A 29 -14.652 -3.539 -14.599 1.00 0.00 C ATOM 488 OG SER A 29 -14.538 -3.893 -15.970 1.00 0.00 O ATOM 0 H SER A 29 -15.111 -2.441 -12.516 1.00 0.00 H new ATOM 0 HA SER A 29 -16.456 -2.406 -15.077 1.00 0.00 H new ATOM 0 HB2 SER A 29 -13.950 -2.741 -14.358 1.00 0.00 H new ATOM 0 HB3 SER A 29 -14.395 -4.391 -13.969 1.00 0.00 H new ATOM 0 HG SER A 29 -13.621 -4.183 -16.158 1.00 0.00 H new ATOM 494 N GLU A 30 -17.218 -4.884 -13.128 1.00 0.00 N ATOM 495 CA GLU A 30 -18.124 -6.071 -13.030 1.00 0.00 C ATOM 496 C GLU A 30 -19.308 -5.788 -12.095 1.00 0.00 C ATOM 497 O GLU A 30 -20.320 -6.463 -12.152 1.00 0.00 O ATOM 498 CB GLU A 30 -17.245 -7.185 -12.459 1.00 0.00 C ATOM 499 CG GLU A 30 -16.766 -8.097 -13.591 1.00 0.00 C ATOM 500 CD GLU A 30 -17.911 -9.010 -14.030 1.00 0.00 C ATOM 501 OE1 GLU A 30 -18.123 -10.018 -13.377 1.00 0.00 O ATOM 502 OE2 GLU A 30 -18.557 -8.687 -15.014 1.00 0.00 O ATOM 0 H GLU A 30 -16.783 -4.599 -12.251 1.00 0.00 H new ATOM 0 HA GLU A 30 -18.555 -6.334 -13.996 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -16.389 -6.755 -11.939 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -17.806 -7.764 -11.725 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -16.421 -7.498 -14.434 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -15.918 -8.695 -13.257 1.00 0.00 H new ATOM 509 N HIS A 31 -19.196 -4.799 -11.241 1.00 0.00 N ATOM 510 CA HIS A 31 -20.327 -4.481 -10.311 1.00 0.00 C ATOM 511 C HIS A 31 -20.736 -3.010 -10.477 1.00 0.00 C ATOM 512 O HIS A 31 -20.140 -2.139 -9.878 1.00 0.00 O ATOM 513 CB HIS A 31 -19.808 -4.728 -8.884 1.00 0.00 C ATOM 514 CG HIS A 31 -19.132 -6.072 -8.786 1.00 0.00 C ATOM 515 ND1 HIS A 31 -17.758 -6.211 -8.886 1.00 0.00 N ATOM 516 CD2 HIS A 31 -19.625 -7.339 -8.597 1.00 0.00 C ATOM 517 CE1 HIS A 31 -17.471 -7.518 -8.757 1.00 0.00 C ATOM 518 NE2 HIS A 31 -18.574 -8.252 -8.579 1.00 0.00 N ATOM 0 H HIS A 31 -18.375 -4.201 -11.147 1.00 0.00 H new ATOM 0 HA HIS A 31 -21.200 -5.099 -10.521 1.00 0.00 H new ATOM 0 HB2 HIS A 31 -19.106 -3.942 -8.606 1.00 0.00 H new ATOM 0 HB3 HIS A 31 -20.637 -4.680 -8.177 1.00 0.00 H new ATOM 0 HD1 HIS A 31 -17.085 -5.458 -9.031 1.00 0.00 H new ATOM 0 HD2 HIS A 31 -20.669 -7.590 -8.480 1.00 0.00 H new ATOM 0 HE1 HIS A 31 -16.471 -7.925 -8.793 1.00 0.00 H new ATOM 526 N PRO A 32 -21.744 -2.773 -11.289 1.00 0.00 N ATOM 527 CA PRO A 32 -22.210 -1.384 -11.516 1.00 0.00 C ATOM 528 C PRO A 32 -23.010 -0.891 -10.311 1.00 0.00 C ATOM 529 O PRO A 32 -22.974 0.273 -9.963 1.00 0.00 O ATOM 530 CB PRO A 32 -23.100 -1.498 -12.749 1.00 0.00 C ATOM 531 CG PRO A 32 -23.567 -2.919 -12.774 1.00 0.00 C ATOM 532 CD PRO A 32 -22.533 -3.749 -12.059 1.00 0.00 C ATOM 0 HA PRO A 32 -21.394 -0.675 -11.653 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -23.942 -0.809 -12.690 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -22.548 -1.250 -13.656 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -24.537 -3.012 -12.286 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -23.692 -3.263 -13.801 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -22.999 -4.487 -11.405 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -21.908 -4.297 -12.764 1.00 0.00 H new ATOM 540 N GLY A 33 -23.729 -1.776 -9.675 1.00 0.00 N ATOM 541 CA GLY A 33 -24.538 -1.380 -8.488 1.00 0.00 C ATOM 542 C GLY A 33 -23.633 -1.218 -7.259 1.00 0.00 C ATOM 543 O GLY A 33 -24.022 -0.608 -6.284 1.00 0.00 O ATOM 0 H GLY A 33 -23.791 -2.762 -9.929 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -25.060 -0.445 -8.690 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -25.300 -2.134 -8.290 1.00 0.00 H new ATOM 547 N LEU A 34 -22.443 -1.774 -7.291 1.00 0.00 N ATOM 548 CA LEU A 34 -21.508 -1.670 -6.116 1.00 0.00 C ATOM 549 C LEU A 34 -21.230 -0.203 -5.752 1.00 0.00 C ATOM 550 O LEU A 34 -20.239 0.370 -6.165 1.00 0.00 O ATOM 551 CB LEU A 34 -20.211 -2.365 -6.575 1.00 0.00 C ATOM 552 CG LEU A 34 -19.935 -3.618 -5.726 1.00 0.00 C ATOM 553 CD1 LEU A 34 -19.643 -3.204 -4.283 1.00 0.00 C ATOM 554 CD2 LEU A 34 -21.147 -4.562 -5.758 1.00 0.00 C ATOM 0 H LEU A 34 -22.075 -2.299 -8.084 1.00 0.00 H new ATOM 0 HA LEU A 34 -21.933 -2.131 -5.224 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -20.294 -2.643 -7.626 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -19.373 -1.673 -6.493 1.00 0.00 H new ATOM 0 HG LEU A 34 -19.072 -4.141 -6.138 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -19.448 -4.092 -3.682 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -18.770 -2.552 -4.261 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -20.503 -2.673 -3.876 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -20.937 -5.444 -5.153 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -22.020 -4.047 -5.358 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -21.345 -4.866 -6.786 1.00 0.00 H new ATOM 566 N SER A 35 -22.100 0.403 -4.983 1.00 0.00 N ATOM 567 CA SER A 35 -21.897 1.831 -4.586 1.00 0.00 C ATOM 568 C SER A 35 -20.806 1.923 -3.517 1.00 0.00 C ATOM 569 O SER A 35 -20.361 0.920 -2.991 1.00 0.00 O ATOM 570 CB SER A 35 -23.243 2.285 -4.023 1.00 0.00 C ATOM 571 OG SER A 35 -24.235 2.185 -5.036 1.00 0.00 O ATOM 0 H SER A 35 -22.945 -0.031 -4.612 1.00 0.00 H new ATOM 0 HA SER A 35 -21.580 2.454 -5.422 1.00 0.00 H new ATOM 0 HB2 SER A 35 -23.518 1.669 -3.167 1.00 0.00 H new ATOM 0 HB3 SER A 35 -23.173 3.313 -3.667 1.00 0.00 H new ATOM 0 HG SER A 35 -24.296 1.256 -5.343 1.00 0.00 H new ATOM 577 N ILE A 36 -20.374 3.117 -3.185 1.00 0.00 N ATOM 578 CA ILE A 36 -19.305 3.274 -2.142 1.00 0.00 C ATOM 579 C ILE A 36 -19.703 2.536 -0.856 1.00 0.00 C ATOM 580 O ILE A 36 -18.859 2.099 -0.097 1.00 0.00 O ATOM 581 CB ILE A 36 -19.192 4.785 -1.889 1.00 0.00 C ATOM 582 CG1 ILE A 36 -18.718 5.498 -3.169 1.00 0.00 C ATOM 583 CG2 ILE A 36 -18.190 5.048 -0.756 1.00 0.00 C ATOM 584 CD1 ILE A 36 -17.350 4.958 -3.606 1.00 0.00 C ATOM 0 H ILE A 36 -20.714 3.990 -3.590 1.00 0.00 H new ATOM 0 HA ILE A 36 -18.354 2.852 -2.468 1.00 0.00 H new ATOM 0 HB ILE A 36 -20.171 5.171 -1.604 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -19.446 5.350 -3.966 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -18.653 6.572 -2.992 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -18.113 6.121 -0.580 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -18.532 4.555 0.154 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -17.213 4.655 -1.036 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -17.029 5.472 -4.512 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -16.621 5.129 -2.814 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -17.427 3.889 -3.803 1.00 0.00 H new ATOM 596 N GLY A 37 -20.981 2.394 -0.615 1.00 0.00 N ATOM 597 CA GLY A 37 -21.440 1.684 0.614 1.00 0.00 C ATOM 598 C GLY A 37 -20.931 0.243 0.582 1.00 0.00 C ATOM 599 O GLY A 37 -20.098 -0.146 1.376 1.00 0.00 O ATOM 0 H GLY A 37 -21.727 2.740 -1.218 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -21.069 2.194 1.503 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -22.528 1.697 0.671 1.00 0.00 H new ATOM 603 N ASP A 38 -21.422 -0.548 -0.337 1.00 0.00 N ATOM 604 CA ASP A 38 -20.968 -1.968 -0.430 1.00 0.00 C ATOM 605 C ASP A 38 -19.536 -2.044 -0.970 1.00 0.00 C ATOM 606 O ASP A 38 -18.800 -2.955 -0.655 1.00 0.00 O ATOM 607 CB ASP A 38 -21.939 -2.639 -1.403 1.00 0.00 C ATOM 608 CG ASP A 38 -21.894 -4.155 -1.207 1.00 0.00 C ATOM 609 OD1 ASP A 38 -20.921 -4.758 -1.629 1.00 0.00 O ATOM 610 OD2 ASP A 38 -22.833 -4.688 -0.638 1.00 0.00 O ATOM 0 H ASP A 38 -22.119 -0.271 -1.028 1.00 0.00 H new ATOM 0 HA ASP A 38 -20.964 -2.455 0.545 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -22.951 -2.270 -1.235 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -21.674 -2.387 -2.430 1.00 0.00 H new ATOM 615 N THR A 39 -19.134 -1.089 -1.769 1.00 0.00 N ATOM 616 CA THR A 39 -17.742 -1.108 -2.325 1.00 0.00 C ATOM 617 C THR A 39 -16.721 -0.927 -1.198 1.00 0.00 C ATOM 618 O THR A 39 -15.636 -1.478 -1.241 1.00 0.00 O ATOM 619 CB THR A 39 -17.681 0.062 -3.316 1.00 0.00 C ATOM 620 OG1 THR A 39 -18.613 -0.163 -4.364 1.00 0.00 O ATOM 621 CG2 THR A 39 -16.273 0.174 -3.911 1.00 0.00 C ATOM 0 H THR A 39 -19.706 -0.297 -2.062 1.00 0.00 H new ATOM 0 HA THR A 39 -17.507 -2.054 -2.813 1.00 0.00 H new ATOM 0 HB THR A 39 -17.924 0.987 -2.792 1.00 0.00 H new ATOM 0 HG1 THR A 39 -19.524 -0.134 -4.004 1.00 0.00 H new ATOM 0 HG21 THR A 39 -16.240 1.007 -4.613 1.00 0.00 H new ATOM 0 HG22 THR A 39 -15.552 0.345 -3.111 1.00 0.00 H new ATOM 0 HG23 THR A 39 -16.024 -0.750 -4.433 1.00 0.00 H new ATOM 629 N ALA A 40 -17.060 -0.162 -0.195 1.00 0.00 N ATOM 630 CA ALA A 40 -16.109 0.056 0.937 1.00 0.00 C ATOM 631 C ALA A 40 -16.010 -1.206 1.797 1.00 0.00 C ATOM 632 O ALA A 40 -14.946 -1.565 2.262 1.00 0.00 O ATOM 633 CB ALA A 40 -16.703 1.212 1.744 1.00 0.00 C ATOM 0 H ALA A 40 -17.954 0.322 -0.109 1.00 0.00 H new ATOM 0 HA ALA A 40 -15.101 0.282 0.588 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -16.058 1.431 2.595 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -16.781 2.096 1.111 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -17.694 0.934 2.102 1.00 0.00 H new ATOM 639 N LYS A 41 -17.115 -1.874 2.016 1.00 0.00 N ATOM 640 CA LYS A 41 -17.088 -3.112 2.857 1.00 0.00 C ATOM 641 C LYS A 41 -16.870 -4.373 2.002 1.00 0.00 C ATOM 642 O LYS A 41 -16.594 -5.434 2.530 1.00 0.00 O ATOM 643 CB LYS A 41 -18.443 -3.156 3.582 1.00 0.00 C ATOM 644 CG LYS A 41 -19.590 -3.364 2.585 1.00 0.00 C ATOM 645 CD LYS A 41 -20.921 -3.003 3.252 1.00 0.00 C ATOM 646 CE LYS A 41 -20.951 -1.506 3.595 1.00 0.00 C ATOM 647 NZ LYS A 41 -21.251 -1.447 5.053 1.00 0.00 N ATOM 0 H LYS A 41 -18.032 -1.618 1.651 1.00 0.00 H new ATOM 0 HA LYS A 41 -16.259 -3.089 3.564 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -18.442 -3.963 4.315 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -18.597 -2.227 4.131 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -19.434 -2.745 1.702 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -19.609 -4.401 2.248 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -21.749 -3.248 2.586 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -21.055 -3.594 4.158 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -19.996 -1.031 3.370 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -21.712 -0.984 3.015 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -21.287 -0.454 5.360 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -22.169 -1.900 5.237 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -20.507 -1.946 5.581 1.00 0.00 H new ATOM 661 N LYS A 42 -16.979 -4.274 0.696 1.00 0.00 N ATOM 662 CA LYS A 42 -16.762 -5.479 -0.165 1.00 0.00 C ATOM 663 C LYS A 42 -15.261 -5.754 -0.301 1.00 0.00 C ATOM 664 O LYS A 42 -14.786 -6.815 0.052 1.00 0.00 O ATOM 665 CB LYS A 42 -17.386 -5.131 -1.526 1.00 0.00 C ATOM 666 CG LYS A 42 -17.167 -6.277 -2.522 1.00 0.00 C ATOM 667 CD LYS A 42 -17.838 -7.552 -2.000 1.00 0.00 C ATOM 668 CE LYS A 42 -18.414 -8.346 -3.175 1.00 0.00 C ATOM 669 NZ LYS A 42 -18.271 -9.776 -2.780 1.00 0.00 N ATOM 0 H LYS A 42 -17.207 -3.416 0.194 1.00 0.00 H new ATOM 0 HA LYS A 42 -17.214 -6.377 0.256 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -18.453 -4.943 -1.407 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -16.942 -4.214 -1.913 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -17.580 -6.010 -3.495 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -16.100 -6.449 -2.665 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -17.114 -8.160 -1.457 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -18.631 -7.296 -1.297 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -19.458 -8.088 -3.352 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -17.873 -8.135 -4.097 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -18.645 -10.384 -3.536 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -17.266 -9.994 -2.625 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -18.802 -9.949 -1.903 1.00 0.00 H new ATOM 683 N LEU A 43 -14.515 -4.806 -0.822 1.00 0.00 N ATOM 684 CA LEU A 43 -13.034 -4.998 -0.999 1.00 0.00 C ATOM 685 C LEU A 43 -12.386 -5.563 0.273 1.00 0.00 C ATOM 686 O LEU A 43 -11.385 -6.253 0.215 1.00 0.00 O ATOM 687 CB LEU A 43 -12.487 -3.600 -1.295 1.00 0.00 C ATOM 688 CG LEU A 43 -12.943 -3.157 -2.686 1.00 0.00 C ATOM 689 CD1 LEU A 43 -12.849 -1.634 -2.793 1.00 0.00 C ATOM 690 CD2 LEU A 43 -12.044 -3.799 -3.744 1.00 0.00 C ATOM 0 H LEU A 43 -14.869 -3.902 -1.134 1.00 0.00 H new ATOM 0 HA LEU A 43 -12.817 -5.710 -1.795 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -12.839 -2.894 -0.543 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -11.398 -3.605 -1.242 1.00 0.00 H new ATOM 0 HG LEU A 43 -13.975 -3.469 -2.847 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -13.174 -1.318 -3.784 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -13.489 -1.176 -2.038 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -11.817 -1.321 -2.633 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -12.368 -3.484 -4.736 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -11.012 -3.487 -3.583 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -12.111 -4.884 -3.668 1.00 0.00 H new ATOM 702 N GLY A 44 -12.957 -5.279 1.417 1.00 0.00 N ATOM 703 CA GLY A 44 -12.386 -5.801 2.692 1.00 0.00 C ATOM 704 C GLY A 44 -12.477 -7.329 2.696 1.00 0.00 C ATOM 705 O GLY A 44 -11.613 -8.010 3.215 1.00 0.00 O ATOM 0 H GLY A 44 -13.795 -4.707 1.521 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -11.347 -5.486 2.795 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -12.929 -5.390 3.543 1.00 0.00 H new ATOM 709 N GLU A 45 -13.523 -7.870 2.121 1.00 0.00 N ATOM 710 CA GLU A 45 -13.694 -9.362 2.084 1.00 0.00 C ATOM 711 C GLU A 45 -12.427 -10.049 1.555 1.00 0.00 C ATOM 712 O GLU A 45 -12.063 -11.121 2.001 1.00 0.00 O ATOM 713 CB GLU A 45 -14.864 -9.607 1.128 1.00 0.00 C ATOM 714 CG GLU A 45 -15.514 -10.954 1.448 1.00 0.00 C ATOM 715 CD GLU A 45 -16.336 -10.834 2.732 1.00 0.00 C ATOM 716 OE1 GLU A 45 -17.348 -10.153 2.703 1.00 0.00 O ATOM 717 OE2 GLU A 45 -15.940 -11.426 3.723 1.00 0.00 O ATOM 0 H GLU A 45 -14.271 -7.342 1.672 1.00 0.00 H new ATOM 0 HA GLU A 45 -13.878 -9.768 3.079 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -15.598 -8.806 1.222 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -14.512 -9.597 0.096 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -16.154 -11.266 0.622 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -14.748 -11.720 1.565 1.00 0.00 H new ATOM 724 N MET A 46 -11.759 -9.439 0.610 1.00 0.00 N ATOM 725 CA MET A 46 -10.517 -10.050 0.049 1.00 0.00 C ATOM 726 C MET A 46 -9.303 -9.653 0.894 1.00 0.00 C ATOM 727 O MET A 46 -8.427 -10.456 1.152 1.00 0.00 O ATOM 728 CB MET A 46 -10.396 -9.476 -1.363 1.00 0.00 C ATOM 729 CG MET A 46 -11.498 -10.059 -2.250 1.00 0.00 C ATOM 730 SD MET A 46 -11.447 -9.266 -3.876 1.00 0.00 S ATOM 731 CE MET A 46 -12.277 -10.582 -4.798 1.00 0.00 C ATOM 0 H MET A 46 -12.021 -8.542 0.202 1.00 0.00 H new ATOM 0 HA MET A 46 -10.559 -11.139 0.045 1.00 0.00 H new ATOM 0 HB2 MET A 46 -10.476 -8.389 -1.333 1.00 0.00 H new ATOM 0 HB3 MET A 46 -9.417 -9.712 -1.780 1.00 0.00 H new ATOM 0 HG2 MET A 46 -11.364 -11.136 -2.354 1.00 0.00 H new ATOM 0 HG3 MET A 46 -12.473 -9.902 -1.788 1.00 0.00 H new ATOM 0 HE1 MET A 46 -12.355 -10.298 -5.847 1.00 0.00 H new ATOM 0 HE2 MET A 46 -11.702 -11.504 -4.713 1.00 0.00 H new ATOM 0 HE3 MET A 46 -13.275 -10.738 -4.390 1.00 0.00 H new ATOM 741 N TRP A 47 -9.244 -8.415 1.317 1.00 0.00 N ATOM 742 CA TRP A 47 -8.083 -7.947 2.141 1.00 0.00 C ATOM 743 C TRP A 47 -7.900 -8.827 3.384 1.00 0.00 C ATOM 744 O TRP A 47 -6.825 -8.887 3.951 1.00 0.00 O ATOM 745 CB TRP A 47 -8.431 -6.511 2.548 1.00 0.00 C ATOM 746 CG TRP A 47 -7.289 -5.916 3.312 1.00 0.00 C ATOM 747 CD1 TRP A 47 -7.323 -5.582 4.622 1.00 0.00 C ATOM 748 CD2 TRP A 47 -5.949 -5.585 2.840 1.00 0.00 C ATOM 749 NE1 TRP A 47 -6.092 -5.066 4.985 1.00 0.00 N ATOM 750 CE2 TRP A 47 -5.213 -5.047 3.921 1.00 0.00 C ATOM 751 CE3 TRP A 47 -5.310 -5.698 1.592 1.00 0.00 C ATOM 752 CZ2 TRP A 47 -3.888 -4.635 3.770 1.00 0.00 C ATOM 753 CZ3 TRP A 47 -3.976 -5.285 1.436 1.00 0.00 C ATOM 754 CH2 TRP A 47 -3.267 -4.754 2.523 1.00 0.00 C ATOM 0 H TRP A 47 -9.951 -7.705 1.127 1.00 0.00 H new ATOM 0 HA TRP A 47 -7.148 -8.001 1.584 1.00 0.00 H new ATOM 0 HB2 TRP A 47 -8.641 -5.912 1.662 1.00 0.00 H new ATOM 0 HB3 TRP A 47 -9.334 -6.504 3.159 1.00 0.00 H new ATOM 0 HD1 TRP A 47 -8.173 -5.699 5.278 1.00 0.00 H new ATOM 0 HE1 TRP A 47 -5.862 -4.740 5.924 1.00 0.00 H new ATOM 0 HE3 TRP A 47 -5.848 -6.105 0.748 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 -3.346 -4.227 4.611 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 -3.494 -5.377 0.474 1.00 0.00 H new ATOM 0 HH2 TRP A 47 -2.242 -4.437 2.397 1.00 0.00 H new ATOM 765 N SER A 48 -8.935 -9.506 3.814 1.00 0.00 N ATOM 766 CA SER A 48 -8.812 -10.376 5.022 1.00 0.00 C ATOM 767 C SER A 48 -8.476 -11.811 4.607 1.00 0.00 C ATOM 768 O SER A 48 -7.771 -12.517 5.304 1.00 0.00 O ATOM 769 CB SER A 48 -10.184 -10.320 5.691 1.00 0.00 C ATOM 770 OG SER A 48 -11.176 -10.746 4.766 1.00 0.00 O ATOM 0 H SER A 48 -9.858 -9.495 3.380 1.00 0.00 H new ATOM 0 HA SER A 48 -8.018 -10.044 5.691 1.00 0.00 H new ATOM 0 HB2 SER A 48 -10.197 -10.958 6.575 1.00 0.00 H new ATOM 0 HB3 SER A 48 -10.396 -9.305 6.027 1.00 0.00 H new ATOM 0 HG SER A 48 -12.057 -10.712 5.193 1.00 0.00 H new ATOM 776 N GLU A 49 -8.973 -12.243 3.476 1.00 0.00 N ATOM 777 CA GLU A 49 -8.682 -13.633 3.007 1.00 0.00 C ATOM 778 C GLU A 49 -7.184 -13.795 2.748 1.00 0.00 C ATOM 779 O GLU A 49 -6.608 -14.835 3.007 1.00 0.00 O ATOM 780 CB GLU A 49 -9.474 -13.796 1.706 1.00 0.00 C ATOM 781 CG GLU A 49 -10.939 -14.090 2.034 1.00 0.00 C ATOM 782 CD GLU A 49 -11.091 -15.560 2.428 1.00 0.00 C ATOM 783 OE1 GLU A 49 -10.843 -15.871 3.581 1.00 0.00 O ATOM 784 OE2 GLU A 49 -11.452 -16.349 1.571 1.00 0.00 O ATOM 0 H GLU A 49 -9.568 -11.693 2.856 1.00 0.00 H new ATOM 0 HA GLU A 49 -8.963 -14.384 3.745 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -9.400 -12.889 1.106 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -9.054 -14.607 1.111 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -11.276 -13.448 2.848 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -11.567 -13.867 1.171 1.00 0.00 H new ATOM 791 N GLN A 50 -6.550 -12.768 2.241 1.00 0.00 N ATOM 792 CA GLN A 50 -5.082 -12.849 1.963 1.00 0.00 C ATOM 793 C GLN A 50 -4.308 -13.060 3.267 1.00 0.00 C ATOM 794 O GLN A 50 -4.745 -12.660 4.330 1.00 0.00 O ATOM 795 CB GLN A 50 -4.712 -11.503 1.323 1.00 0.00 C ATOM 796 CG GLN A 50 -5.065 -10.352 2.273 1.00 0.00 C ATOM 797 CD GLN A 50 -4.347 -9.080 1.822 1.00 0.00 C ATOM 798 OE1 GLN A 50 -3.450 -8.604 2.490 1.00 0.00 O ATOM 799 NE2 GLN A 50 -4.705 -8.503 0.707 1.00 0.00 N ATOM 0 H GLN A 50 -6.985 -11.876 2.007 1.00 0.00 H new ATOM 0 HA GLN A 50 -4.835 -13.685 1.309 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -3.647 -11.481 1.093 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -5.244 -11.382 0.379 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -6.143 -10.190 2.281 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -4.773 -10.605 3.292 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -5.458 -8.901 0.145 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -4.232 -7.654 0.397 1.00 0.00 H new ATOM 808 N SER A 51 -3.160 -13.678 3.186 1.00 0.00 N ATOM 809 CA SER A 51 -2.341 -13.916 4.410 1.00 0.00 C ATOM 810 C SER A 51 -1.210 -12.884 4.475 1.00 0.00 C ATOM 811 O SER A 51 -1.333 -11.793 3.952 1.00 0.00 O ATOM 812 CB SER A 51 -1.785 -15.331 4.240 1.00 0.00 C ATOM 813 OG SER A 51 -1.237 -15.771 5.477 1.00 0.00 O ATOM 0 H SER A 51 -2.752 -14.030 2.320 1.00 0.00 H new ATOM 0 HA SER A 51 -2.914 -13.821 5.332 1.00 0.00 H new ATOM 0 HB2 SER A 51 -2.575 -16.009 3.917 1.00 0.00 H new ATOM 0 HB3 SER A 51 -1.019 -15.343 3.465 1.00 0.00 H new ATOM 0 HG SER A 51 -0.881 -16.678 5.373 1.00 0.00 H new ATOM 819 N ALA A 52 -0.111 -13.219 5.105 1.00 0.00 N ATOM 820 CA ALA A 52 1.027 -12.256 5.192 1.00 0.00 C ATOM 821 C ALA A 52 1.879 -12.334 3.920 1.00 0.00 C ATOM 822 O ALA A 52 3.075 -12.558 3.977 1.00 0.00 O ATOM 823 CB ALA A 52 1.834 -12.705 6.411 1.00 0.00 C ATOM 0 H ALA A 52 0.046 -14.117 5.562 1.00 0.00 H new ATOM 0 HA ALA A 52 0.691 -11.223 5.287 1.00 0.00 H new ATOM 0 HB1 ALA A 52 2.691 -12.045 6.543 1.00 0.00 H new ATOM 0 HB2 ALA A 52 1.204 -12.664 7.300 1.00 0.00 H new ATOM 0 HB3 ALA A 52 2.183 -13.727 6.260 1.00 0.00 H new ATOM 829 N LYS A 53 1.271 -12.152 2.771 1.00 0.00 N ATOM 830 CA LYS A 53 2.040 -12.219 1.493 1.00 0.00 C ATOM 831 C LYS A 53 1.700 -11.019 0.604 1.00 0.00 C ATOM 832 O LYS A 53 2.576 -10.355 0.086 1.00 0.00 O ATOM 833 CB LYS A 53 1.591 -13.520 0.830 1.00 0.00 C ATOM 834 CG LYS A 53 2.535 -14.653 1.234 1.00 0.00 C ATOM 835 CD LYS A 53 2.049 -15.968 0.620 1.00 0.00 C ATOM 836 CE LYS A 53 3.220 -16.946 0.515 1.00 0.00 C ATOM 837 NZ LYS A 53 2.588 -18.286 0.353 1.00 0.00 N ATOM 0 H LYS A 53 0.275 -11.960 2.666 1.00 0.00 H new ATOM 0 HA LYS A 53 3.117 -12.195 1.659 1.00 0.00 H new ATOM 0 HB2 LYS A 53 0.570 -13.759 1.129 1.00 0.00 H new ATOM 0 HB3 LYS A 53 1.587 -13.405 -0.254 1.00 0.00 H new ATOM 0 HG2 LYS A 53 3.548 -14.434 0.896 1.00 0.00 H new ATOM 0 HG3 LYS A 53 2.573 -14.739 2.320 1.00 0.00 H new ATOM 0 HD2 LYS A 53 1.257 -16.397 1.234 1.00 0.00 H new ATOM 0 HD3 LYS A 53 1.624 -15.786 -0.367 1.00 0.00 H new ATOM 0 HE2 LYS A 53 3.860 -16.706 -0.334 1.00 0.00 H new ATOM 0 HE3 LYS A 53 3.846 -16.910 1.407 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 3.329 -19.012 0.274 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 1.990 -18.490 1.179 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 2.004 -18.293 -0.507 1.00 0.00 H new ATOM 851 N ASP A 54 0.433 -10.745 0.419 1.00 0.00 N ATOM 852 CA ASP A 54 0.028 -9.593 -0.446 1.00 0.00 C ATOM 853 C ASP A 54 0.419 -8.263 0.203 1.00 0.00 C ATOM 854 O ASP A 54 0.654 -7.281 -0.477 1.00 0.00 O ATOM 855 CB ASP A 54 -1.494 -9.697 -0.568 1.00 0.00 C ATOM 856 CG ASP A 54 -1.966 -8.903 -1.788 1.00 0.00 C ATOM 857 OD1 ASP A 54 -2.125 -7.700 -1.661 1.00 0.00 O ATOM 858 OD2 ASP A 54 -2.159 -9.512 -2.828 1.00 0.00 O ATOM 0 H ASP A 54 -0.340 -11.269 0.830 1.00 0.00 H new ATOM 0 HA ASP A 54 0.521 -9.626 -1.417 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -1.791 -10.741 -0.664 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -1.969 -9.312 0.335 1.00 0.00 H new ATOM 863 N LYS A 55 0.486 -8.219 1.511 1.00 0.00 N ATOM 864 CA LYS A 55 0.855 -6.945 2.202 1.00 0.00 C ATOM 865 C LYS A 55 2.372 -6.734 2.168 1.00 0.00 C ATOM 866 O LYS A 55 2.841 -5.622 2.058 1.00 0.00 O ATOM 867 CB LYS A 55 0.373 -7.116 3.643 1.00 0.00 C ATOM 868 CG LYS A 55 -1.122 -6.801 3.722 1.00 0.00 C ATOM 869 CD LYS A 55 -1.682 -7.312 5.050 1.00 0.00 C ATOM 870 CE LYS A 55 -1.859 -8.831 4.981 1.00 0.00 C ATOM 871 NZ LYS A 55 -1.633 -9.308 6.373 1.00 0.00 N ATOM 0 H LYS A 55 0.301 -9.009 2.129 1.00 0.00 H new ATOM 0 HA LYS A 55 0.405 -6.077 1.720 1.00 0.00 H new ATOM 0 HB2 LYS A 55 0.559 -8.135 3.981 1.00 0.00 H new ATOM 0 HB3 LYS A 55 0.931 -6.454 4.305 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -1.283 -5.726 3.637 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -1.647 -7.269 2.890 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -1.008 -7.051 5.865 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -2.638 -6.833 5.262 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -2.856 -9.097 4.630 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -1.147 -9.280 4.289 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -1.737 -10.342 6.407 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -0.674 -9.047 6.678 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -2.330 -8.869 7.008 1.00 0.00 H new ATOM 885 N GLN A 56 3.137 -7.791 2.288 1.00 0.00 N ATOM 886 CA GLN A 56 4.639 -7.672 2.290 1.00 0.00 C ATOM 887 C GLN A 56 5.154 -6.715 1.190 1.00 0.00 C ATOM 888 O GLN A 56 5.903 -5.805 1.482 1.00 0.00 O ATOM 889 CB GLN A 56 5.145 -9.094 2.032 1.00 0.00 C ATOM 890 CG GLN A 56 5.521 -9.757 3.360 1.00 0.00 C ATOM 891 CD GLN A 56 6.862 -9.203 3.845 1.00 0.00 C ATOM 892 OE1 GLN A 56 7.000 -8.016 4.061 1.00 0.00 O ATOM 893 NE2 GLN A 56 7.863 -10.020 4.029 1.00 0.00 N ATOM 0 H GLN A 56 2.786 -8.744 2.386 1.00 0.00 H new ATOM 0 HA GLN A 56 4.996 -7.256 3.232 1.00 0.00 H new ATOM 0 HB2 GLN A 56 4.375 -9.678 1.528 1.00 0.00 H new ATOM 0 HB3 GLN A 56 6.010 -9.068 1.370 1.00 0.00 H new ATOM 0 HG2 GLN A 56 4.747 -9.569 4.104 1.00 0.00 H new ATOM 0 HG3 GLN A 56 5.586 -10.838 3.234 1.00 0.00 H new ATOM 0 HE21 GLN A 56 7.747 -11.017 3.848 1.00 0.00 H new ATOM 0 HE22 GLN A 56 8.761 -9.661 4.354 1.00 0.00 H new ATOM 902 N PRO A 57 4.753 -6.949 -0.040 1.00 0.00 N ATOM 903 CA PRO A 57 5.211 -6.081 -1.155 1.00 0.00 C ATOM 904 C PRO A 57 4.453 -4.747 -1.169 1.00 0.00 C ATOM 905 O PRO A 57 5.008 -3.715 -1.491 1.00 0.00 O ATOM 906 CB PRO A 57 4.876 -6.892 -2.401 1.00 0.00 C ATOM 907 CG PRO A 57 3.748 -7.781 -1.995 1.00 0.00 C ATOM 908 CD PRO A 57 3.864 -8.022 -0.512 1.00 0.00 C ATOM 0 HA PRO A 57 6.268 -5.826 -1.076 1.00 0.00 H new ATOM 0 HB2 PRO A 57 4.588 -6.243 -3.228 1.00 0.00 H new ATOM 0 HB3 PRO A 57 5.735 -7.473 -2.736 1.00 0.00 H new ATOM 0 HG2 PRO A 57 2.791 -7.317 -2.233 1.00 0.00 H new ATOM 0 HG3 PRO A 57 3.789 -8.724 -2.540 1.00 0.00 H new ATOM 0 HD2 PRO A 57 2.891 -7.976 -0.024 1.00 0.00 H new ATOM 0 HD3 PRO A 57 4.281 -9.007 -0.300 1.00 0.00 H new ATOM 916 N TYR A 58 3.183 -4.770 -0.855 1.00 0.00 N ATOM 917 CA TYR A 58 2.371 -3.509 -0.881 1.00 0.00 C ATOM 918 C TYR A 58 2.540 -2.686 0.411 1.00 0.00 C ATOM 919 O TYR A 58 2.013 -1.593 0.517 1.00 0.00 O ATOM 920 CB TYR A 58 0.919 -3.986 -1.029 1.00 0.00 C ATOM 921 CG TYR A 58 0.246 -3.243 -2.159 1.00 0.00 C ATOM 922 CD1 TYR A 58 0.804 -3.268 -3.443 1.00 0.00 C ATOM 923 CD2 TYR A 58 -0.936 -2.530 -1.924 1.00 0.00 C ATOM 924 CE1 TYR A 58 0.181 -2.580 -4.491 1.00 0.00 C ATOM 925 CE2 TYR A 58 -1.558 -1.843 -2.972 1.00 0.00 C ATOM 926 CZ TYR A 58 -1.000 -1.867 -4.255 1.00 0.00 C ATOM 927 OH TYR A 58 -1.614 -1.188 -5.288 1.00 0.00 O ATOM 0 H TYR A 58 2.670 -5.608 -0.581 1.00 0.00 H new ATOM 0 HA TYR A 58 2.685 -2.851 -1.691 1.00 0.00 H new ATOM 0 HB2 TYR A 58 0.897 -5.058 -1.224 1.00 0.00 H new ATOM 0 HB3 TYR A 58 0.376 -3.820 -0.099 1.00 0.00 H new ATOM 0 HD1 TYR A 58 1.715 -3.818 -3.625 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -1.367 -2.510 -0.934 1.00 0.00 H new ATOM 0 HE1 TYR A 58 0.612 -2.599 -5.481 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -2.470 -1.293 -2.791 1.00 0.00 H new ATOM 0 HH TYR A 58 -2.084 -1.826 -5.865 1.00 0.00 H new ATOM 937 N GLU A 59 3.248 -3.193 1.393 1.00 0.00 N ATOM 938 CA GLU A 59 3.419 -2.426 2.667 1.00 0.00 C ATOM 939 C GLU A 59 4.660 -1.524 2.606 1.00 0.00 C ATOM 940 O GLU A 59 4.746 -0.533 3.307 1.00 0.00 O ATOM 941 CB GLU A 59 3.556 -3.491 3.768 1.00 0.00 C ATOM 942 CG GLU A 59 4.828 -4.328 3.554 1.00 0.00 C ATOM 943 CD GLU A 59 5.776 -4.149 4.744 1.00 0.00 C ATOM 944 OE1 GLU A 59 5.475 -4.680 5.800 1.00 0.00 O ATOM 945 OE2 GLU A 59 6.786 -3.484 4.577 1.00 0.00 O ATOM 0 H GLU A 59 3.713 -4.101 1.367 1.00 0.00 H new ATOM 0 HA GLU A 59 2.576 -1.761 2.855 1.00 0.00 H new ATOM 0 HB2 GLU A 59 3.591 -3.010 4.745 1.00 0.00 H new ATOM 0 HB3 GLU A 59 2.681 -4.141 3.764 1.00 0.00 H new ATOM 0 HG2 GLU A 59 4.567 -5.380 3.441 1.00 0.00 H new ATOM 0 HG3 GLU A 59 5.324 -4.022 2.633 1.00 0.00 H new ATOM 952 N GLN A 60 5.618 -1.857 1.777 1.00 0.00 N ATOM 953 CA GLN A 60 6.851 -1.015 1.674 1.00 0.00 C ATOM 954 C GLN A 60 6.583 0.234 0.825 1.00 0.00 C ATOM 955 O GLN A 60 7.278 1.227 0.936 1.00 0.00 O ATOM 956 CB GLN A 60 7.911 -1.907 1.016 1.00 0.00 C ATOM 957 CG GLN A 60 7.422 -2.384 -0.354 1.00 0.00 C ATOM 958 CD GLN A 60 8.621 -2.797 -1.209 1.00 0.00 C ATOM 959 OE1 GLN A 60 9.377 -3.671 -0.834 1.00 0.00 O ATOM 960 NE2 GLN A 60 8.830 -2.201 -2.351 1.00 0.00 N ATOM 0 H GLN A 60 5.600 -2.675 1.167 1.00 0.00 H new ATOM 0 HA GLN A 60 7.180 -0.662 2.651 1.00 0.00 H new ATOM 0 HB2 GLN A 60 8.844 -1.355 0.905 1.00 0.00 H new ATOM 0 HB3 GLN A 60 8.122 -2.765 1.654 1.00 0.00 H new ATOM 0 HG2 GLN A 60 6.739 -3.226 -0.235 1.00 0.00 H new ATOM 0 HG3 GLN A 60 6.865 -1.589 -0.850 1.00 0.00 H new ATOM 0 HE21 GLN A 60 8.196 -1.467 -2.667 1.00 0.00 H new ATOM 0 HE22 GLN A 60 9.627 -2.469 -2.928 1.00 0.00 H new ATOM 969 N LYS A 61 5.578 0.195 -0.016 1.00 0.00 N ATOM 970 CA LYS A 61 5.259 1.382 -0.869 1.00 0.00 C ATOM 971 C LYS A 61 4.825 2.553 0.014 1.00 0.00 C ATOM 972 O LYS A 61 5.233 3.680 -0.196 1.00 0.00 O ATOM 973 CB LYS A 61 4.113 0.924 -1.780 1.00 0.00 C ATOM 974 CG LYS A 61 3.653 2.081 -2.671 1.00 0.00 C ATOM 975 CD LYS A 61 2.813 1.531 -3.825 1.00 0.00 C ATOM 976 CE LYS A 61 2.648 2.612 -4.897 1.00 0.00 C ATOM 977 NZ LYS A 61 1.812 1.979 -5.955 1.00 0.00 N ATOM 0 H LYS A 61 4.964 -0.609 -0.148 1.00 0.00 H new ATOM 0 HA LYS A 61 6.116 1.724 -1.449 1.00 0.00 H new ATOM 0 HB2 LYS A 61 4.441 0.088 -2.397 1.00 0.00 H new ATOM 0 HB3 LYS A 61 3.279 0.566 -1.176 1.00 0.00 H new ATOM 0 HG2 LYS A 61 3.068 2.793 -2.088 1.00 0.00 H new ATOM 0 HG3 LYS A 61 4.517 2.620 -3.060 1.00 0.00 H new ATOM 0 HD2 LYS A 61 3.294 0.651 -4.252 1.00 0.00 H new ATOM 0 HD3 LYS A 61 1.836 1.214 -3.459 1.00 0.00 H new ATOM 0 HE2 LYS A 61 2.165 3.501 -4.491 1.00 0.00 H new ATOM 0 HE3 LYS A 61 3.614 2.927 -5.292 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 1.655 2.659 -6.726 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 2.300 1.140 -6.328 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 0.897 1.696 -5.551 1.00 0.00 H new ATOM 991 N ALA A 62 4.018 2.292 1.008 1.00 0.00 N ATOM 992 CA ALA A 62 3.574 3.388 1.918 1.00 0.00 C ATOM 993 C ALA A 62 4.661 3.678 2.963 1.00 0.00 C ATOM 994 O ALA A 62 4.637 4.701 3.619 1.00 0.00 O ATOM 995 CB ALA A 62 2.311 2.860 2.593 1.00 0.00 C ATOM 0 H ALA A 62 3.647 1.368 1.229 1.00 0.00 H new ATOM 0 HA ALA A 62 3.388 4.319 1.382 1.00 0.00 H new ATOM 0 HB1 ALA A 62 1.924 3.613 3.280 1.00 0.00 H new ATOM 0 HB2 ALA A 62 1.559 2.639 1.836 1.00 0.00 H new ATOM 0 HB3 ALA A 62 2.547 1.951 3.146 1.00 0.00 H new ATOM 1001 N ALA A 63 5.617 2.788 3.117 1.00 0.00 N ATOM 1002 CA ALA A 63 6.706 3.018 4.115 1.00 0.00 C ATOM 1003 C ALA A 63 7.470 4.297 3.771 1.00 0.00 C ATOM 1004 O ALA A 63 7.900 5.023 4.648 1.00 0.00 O ATOM 1005 CB ALA A 63 7.624 1.798 4.003 1.00 0.00 C ATOM 0 H ALA A 63 5.687 1.915 2.594 1.00 0.00 H new ATOM 0 HA ALA A 63 6.318 3.138 5.126 1.00 0.00 H new ATOM 0 HB1 ALA A 63 8.449 1.897 4.708 1.00 0.00 H new ATOM 0 HB2 ALA A 63 7.058 0.895 4.231 1.00 0.00 H new ATOM 0 HB3 ALA A 63 8.019 1.732 2.989 1.00 0.00 H new ATOM 1011 N LYS A 64 7.637 4.584 2.501 1.00 0.00 N ATOM 1012 CA LYS A 64 8.370 5.827 2.107 1.00 0.00 C ATOM 1013 C LYS A 64 7.498 7.054 2.388 1.00 0.00 C ATOM 1014 O LYS A 64 7.843 7.902 3.187 1.00 0.00 O ATOM 1015 CB LYS A 64 8.630 5.685 0.607 1.00 0.00 C ATOM 1016 CG LYS A 64 9.588 4.517 0.363 1.00 0.00 C ATOM 1017 CD LYS A 64 11.006 4.929 0.760 1.00 0.00 C ATOM 1018 CE LYS A 64 11.982 3.801 0.413 1.00 0.00 C ATOM 1019 NZ LYS A 64 13.335 4.407 0.555 1.00 0.00 N ATOM 0 H LYS A 64 7.299 4.014 1.725 1.00 0.00 H new ATOM 0 HA LYS A 64 9.298 5.955 2.664 1.00 0.00 H new ATOM 0 HB2 LYS A 64 7.692 5.516 0.079 1.00 0.00 H new ATOM 0 HB3 LYS A 64 9.056 6.607 0.212 1.00 0.00 H new ATOM 0 HG2 LYS A 64 9.275 3.649 0.942 1.00 0.00 H new ATOM 0 HG3 LYS A 64 9.563 4.226 -0.687 1.00 0.00 H new ATOM 0 HD2 LYS A 64 11.290 5.843 0.239 1.00 0.00 H new ATOM 0 HD3 LYS A 64 11.048 5.145 1.828 1.00 0.00 H new ATOM 0 HE2 LYS A 64 11.858 2.951 1.084 1.00 0.00 H new ATOM 0 HE3 LYS A 64 11.818 3.434 -0.600 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 14.059 3.695 0.333 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 13.427 5.209 -0.100 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 13.465 4.741 1.531 1.00 0.00 H new ATOM 1033 N LEU A 65 6.368 7.154 1.729 1.00 0.00 N ATOM 1034 CA LEU A 65 5.457 8.329 1.941 1.00 0.00 C ATOM 1035 C LEU A 65 5.170 8.549 3.435 1.00 0.00 C ATOM 1036 O LEU A 65 4.852 9.646 3.854 1.00 0.00 O ATOM 1037 CB LEU A 65 4.168 7.973 1.200 1.00 0.00 C ATOM 1038 CG LEU A 65 4.265 8.449 -0.251 1.00 0.00 C ATOM 1039 CD1 LEU A 65 5.039 7.419 -1.075 1.00 0.00 C ATOM 1040 CD2 LEU A 65 2.858 8.612 -0.830 1.00 0.00 C ATOM 0 H LEU A 65 6.034 6.470 1.050 1.00 0.00 H new ATOM 0 HA LEU A 65 5.905 9.253 1.575 1.00 0.00 H new ATOM 0 HB2 LEU A 65 4.004 6.896 1.230 1.00 0.00 H new ATOM 0 HB3 LEU A 65 3.313 8.439 1.690 1.00 0.00 H new ATOM 0 HG LEU A 65 4.785 9.406 -0.285 1.00 0.00 H new ATOM 0 HD11 LEU A 65 5.108 7.758 -2.109 1.00 0.00 H new ATOM 0 HD12 LEU A 65 6.042 7.303 -0.663 1.00 0.00 H new ATOM 0 HD13 LEU A 65 4.520 6.461 -1.041 1.00 0.00 H new ATOM 0 HD21 LEU A 65 2.927 8.951 -1.864 1.00 0.00 H new ATOM 0 HD22 LEU A 65 2.337 7.655 -0.796 1.00 0.00 H new ATOM 0 HD23 LEU A 65 2.306 9.346 -0.243 1.00 0.00 H new ATOM 1052 N LYS A 66 5.293 7.521 4.238 1.00 0.00 N ATOM 1053 CA LYS A 66 5.038 7.679 5.703 1.00 0.00 C ATOM 1054 C LYS A 66 6.159 8.511 6.330 1.00 0.00 C ATOM 1055 O LYS A 66 5.911 9.497 6.998 1.00 0.00 O ATOM 1056 CB LYS A 66 5.034 6.255 6.269 1.00 0.00 C ATOM 1057 CG LYS A 66 4.823 6.298 7.788 1.00 0.00 C ATOM 1058 CD LYS A 66 3.878 5.170 8.211 1.00 0.00 C ATOM 1059 CE LYS A 66 3.988 4.948 9.721 1.00 0.00 C ATOM 1060 NZ LYS A 66 3.894 3.473 9.902 1.00 0.00 N ATOM 0 H LYS A 66 5.558 6.581 3.943 1.00 0.00 H new ATOM 0 HA LYS A 66 4.099 8.191 5.912 1.00 0.00 H new ATOM 0 HB2 LYS A 66 4.243 5.670 5.800 1.00 0.00 H new ATOM 0 HB3 LYS A 66 5.977 5.760 6.038 1.00 0.00 H new ATOM 0 HG2 LYS A 66 5.779 6.195 8.301 1.00 0.00 H new ATOM 0 HG3 LYS A 66 4.407 7.262 8.080 1.00 0.00 H new ATOM 0 HD2 LYS A 66 2.852 5.422 7.944 1.00 0.00 H new ATOM 0 HD3 LYS A 66 4.129 4.252 7.679 1.00 0.00 H new ATOM 0 HE2 LYS A 66 4.931 5.334 10.109 1.00 0.00 H new ATOM 0 HE3 LYS A 66 3.189 5.463 10.255 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 3.962 3.242 10.914 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 2.984 3.135 9.530 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 4.671 3.010 9.389 1.00 0.00 H new ATOM 1074 N GLU A 67 7.390 8.123 6.110 1.00 0.00 N ATOM 1075 CA GLU A 67 8.535 8.894 6.684 1.00 0.00 C ATOM 1076 C GLU A 67 8.535 10.311 6.112 1.00 0.00 C ATOM 1077 O GLU A 67 8.597 11.284 6.839 1.00 0.00 O ATOM 1078 CB GLU A 67 9.793 8.138 6.250 1.00 0.00 C ATOM 1079 CG GLU A 67 9.935 6.863 7.083 1.00 0.00 C ATOM 1080 CD GLU A 67 11.328 6.266 6.870 1.00 0.00 C ATOM 1081 OE1 GLU A 67 11.612 5.857 5.757 1.00 0.00 O ATOM 1082 OE2 GLU A 67 12.086 6.228 7.826 1.00 0.00 O ATOM 0 H GLU A 67 7.652 7.306 5.558 1.00 0.00 H new ATOM 0 HA GLU A 67 8.477 8.980 7.769 1.00 0.00 H new ATOM 0 HB2 GLU A 67 9.733 7.888 5.191 1.00 0.00 H new ATOM 0 HB3 GLU A 67 10.672 8.769 6.379 1.00 0.00 H new ATOM 0 HG2 GLU A 67 9.781 7.087 8.139 1.00 0.00 H new ATOM 0 HG3 GLU A 67 9.171 6.141 6.795 1.00 0.00 H new ATOM 1089 N LYS A 68 8.453 10.432 4.810 1.00 0.00 N ATOM 1090 CA LYS A 68 8.438 11.788 4.175 1.00 0.00 C ATOM 1091 C LYS A 68 7.261 12.618 4.705 1.00 0.00 C ATOM 1092 O LYS A 68 7.265 13.830 4.622 1.00 0.00 O ATOM 1093 CB LYS A 68 8.273 11.528 2.675 1.00 0.00 C ATOM 1094 CG LYS A 68 9.563 10.926 2.116 1.00 0.00 C ATOM 1095 CD LYS A 68 9.320 10.440 0.686 1.00 0.00 C ATOM 1096 CE LYS A 68 10.661 10.292 -0.038 1.00 0.00 C ATOM 1097 NZ LYS A 68 10.348 9.515 -1.269 1.00 0.00 N ATOM 0 H LYS A 68 8.396 9.650 4.158 1.00 0.00 H new ATOM 0 HA LYS A 68 9.346 12.349 4.396 1.00 0.00 H new ATOM 0 HB2 LYS A 68 7.438 10.849 2.503 1.00 0.00 H new ATOM 0 HB3 LYS A 68 8.039 12.458 2.157 1.00 0.00 H new ATOM 0 HG2 LYS A 68 10.360 11.670 2.128 1.00 0.00 H new ATOM 0 HG3 LYS A 68 9.892 10.097 2.743 1.00 0.00 H new ATOM 0 HD2 LYS A 68 8.795 9.485 0.699 1.00 0.00 H new ATOM 0 HD3 LYS A 68 8.683 11.147 0.154 1.00 0.00 H new ATOM 0 HE2 LYS A 68 11.087 11.265 -0.283 1.00 0.00 H new ATOM 0 HE3 LYS A 68 11.390 9.772 0.583 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 11.218 9.372 -1.820 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 9.950 8.591 -1.005 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 9.657 10.038 -1.843 1.00 0.00 H new ATOM 1111 N TYR A 69 6.257 11.973 5.247 1.00 0.00 N ATOM 1112 CA TYR A 69 5.081 12.721 5.782 1.00 0.00 C ATOM 1113 C TYR A 69 5.341 13.139 7.236 1.00 0.00 C ATOM 1114 O TYR A 69 5.290 14.306 7.574 1.00 0.00 O ATOM 1115 CB TYR A 69 3.914 11.724 5.698 1.00 0.00 C ATOM 1116 CG TYR A 69 2.665 12.317 6.319 1.00 0.00 C ATOM 1117 CD1 TYR A 69 2.508 12.311 7.711 1.00 0.00 C ATOM 1118 CD2 TYR A 69 1.670 12.872 5.506 1.00 0.00 C ATOM 1119 CE1 TYR A 69 1.357 12.860 8.288 1.00 0.00 C ATOM 1120 CE2 TYR A 69 0.519 13.420 6.084 1.00 0.00 C ATOM 1121 CZ TYR A 69 0.363 13.415 7.476 1.00 0.00 C ATOM 1122 OH TYR A 69 -0.772 13.956 8.045 1.00 0.00 O ATOM 0 H TYR A 69 6.203 10.959 5.341 1.00 0.00 H new ATOM 0 HA TYR A 69 4.875 13.635 5.225 1.00 0.00 H new ATOM 0 HB2 TYR A 69 3.722 11.466 4.656 1.00 0.00 H new ATOM 0 HB3 TYR A 69 4.179 10.800 6.212 1.00 0.00 H new ATOM 0 HD1 TYR A 69 3.275 11.883 8.339 1.00 0.00 H new ATOM 0 HD2 TYR A 69 1.790 12.877 4.433 1.00 0.00 H new ATOM 0 HE1 TYR A 69 1.236 12.855 9.361 1.00 0.00 H new ATOM 0 HE2 TYR A 69 -0.249 13.847 5.456 1.00 0.00 H new ATOM 0 HH TYR A 69 -1.360 14.299 7.340 1.00 0.00 H new ATOM 1132 N GLU A 70 5.595 12.187 8.095 1.00 0.00 N ATOM 1133 CA GLU A 70 5.831 12.510 9.540 1.00 0.00 C ATOM 1134 C GLU A 70 7.160 13.251 9.751 1.00 0.00 C ATOM 1135 O GLU A 70 7.279 14.063 10.650 1.00 0.00 O ATOM 1136 CB GLU A 70 5.865 11.154 10.250 1.00 0.00 C ATOM 1137 CG GLU A 70 4.480 10.837 10.819 1.00 0.00 C ATOM 1138 CD GLU A 70 4.273 9.321 10.846 1.00 0.00 C ATOM 1139 OE1 GLU A 70 4.867 8.678 11.697 1.00 0.00 O ATOM 1140 OE2 GLU A 70 3.527 8.829 10.016 1.00 0.00 O ATOM 0 H GLU A 70 5.650 11.196 7.861 1.00 0.00 H new ATOM 0 HA GLU A 70 5.053 13.169 9.926 1.00 0.00 H new ATOM 0 HB2 GLU A 70 6.170 10.374 9.552 1.00 0.00 H new ATOM 0 HB3 GLU A 70 6.603 11.170 11.052 1.00 0.00 H new ATOM 0 HG2 GLU A 70 4.387 11.245 11.825 1.00 0.00 H new ATOM 0 HG3 GLU A 70 3.709 11.309 10.211 1.00 0.00 H new ATOM 1147 N LYS A 71 8.160 12.967 8.955 1.00 0.00 N ATOM 1148 CA LYS A 71 9.483 13.647 9.143 1.00 0.00 C ATOM 1149 C LYS A 71 9.537 15.000 8.420 1.00 0.00 C ATOM 1150 O LYS A 71 10.428 15.794 8.662 1.00 0.00 O ATOM 1151 CB LYS A 71 10.519 12.690 8.548 1.00 0.00 C ATOM 1152 CG LYS A 71 10.466 11.349 9.285 1.00 0.00 C ATOM 1153 CD LYS A 71 11.034 11.521 10.696 1.00 0.00 C ATOM 1154 CE LYS A 71 11.391 10.149 11.273 1.00 0.00 C ATOM 1155 NZ LYS A 71 10.110 9.612 11.810 1.00 0.00 N ATOM 0 H LYS A 71 8.121 12.298 8.186 1.00 0.00 H new ATOM 0 HA LYS A 71 9.665 13.858 10.197 1.00 0.00 H new ATOM 0 HB2 LYS A 71 10.323 12.540 7.486 1.00 0.00 H new ATOM 0 HB3 LYS A 71 11.516 13.122 8.630 1.00 0.00 H new ATOM 0 HG2 LYS A 71 9.438 10.990 9.336 1.00 0.00 H new ATOM 0 HG3 LYS A 71 11.039 10.599 8.740 1.00 0.00 H new ATOM 0 HD2 LYS A 71 11.919 12.157 10.668 1.00 0.00 H new ATOM 0 HD3 LYS A 71 10.304 12.018 11.335 1.00 0.00 H new ATOM 0 HE2 LYS A 71 11.803 9.493 10.506 1.00 0.00 H new ATOM 0 HE3 LYS A 71 12.143 10.234 12.057 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 10.274 8.672 12.223 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 9.745 10.253 12.543 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 9.416 9.535 11.040 1.00 0.00 H new ATOM 1169 N ASP A 72 8.612 15.269 7.530 1.00 0.00 N ATOM 1170 CA ASP A 72 8.643 16.571 6.795 1.00 0.00 C ATOM 1171 C ASP A 72 7.534 17.512 7.280 1.00 0.00 C ATOM 1172 O ASP A 72 7.613 18.710 7.088 1.00 0.00 O ATOM 1173 CB ASP A 72 8.425 16.203 5.327 1.00 0.00 C ATOM 1174 CG ASP A 72 8.954 17.327 4.434 1.00 0.00 C ATOM 1175 OD1 ASP A 72 8.408 18.416 4.500 1.00 0.00 O ATOM 1176 OD2 ASP A 72 9.895 17.079 3.699 1.00 0.00 O ATOM 0 H ASP A 72 7.842 14.647 7.283 1.00 0.00 H new ATOM 0 HA ASP A 72 9.583 17.099 6.956 1.00 0.00 H new ATOM 0 HB2 ASP A 72 8.937 15.269 5.096 1.00 0.00 H new ATOM 0 HB3 ASP A 72 7.364 16.041 5.136 1.00 0.00 H new ATOM 1181 N ILE A 73 6.504 16.988 7.898 1.00 0.00 N ATOM 1182 CA ILE A 73 5.396 17.869 8.384 1.00 0.00 C ATOM 1183 C ILE A 73 5.755 18.502 9.737 1.00 0.00 C ATOM 1184 O ILE A 73 5.214 19.528 10.110 1.00 0.00 O ATOM 1185 CB ILE A 73 4.174 16.947 8.506 1.00 0.00 C ATOM 1186 CG1 ILE A 73 2.940 17.787 8.846 1.00 0.00 C ATOM 1187 CG2 ILE A 73 4.399 15.902 9.605 1.00 0.00 C ATOM 1188 CD1 ILE A 73 2.281 18.271 7.553 1.00 0.00 C ATOM 0 H ILE A 73 6.382 15.993 8.086 1.00 0.00 H new ATOM 0 HA ILE A 73 5.205 18.700 7.705 1.00 0.00 H new ATOM 0 HB ILE A 73 4.023 16.431 7.558 1.00 0.00 H new ATOM 0 HG12 ILE A 73 2.233 17.195 9.428 1.00 0.00 H new ATOM 0 HG13 ILE A 73 3.226 18.639 9.462 1.00 0.00 H new ATOM 0 HG21 ILE A 73 3.524 15.257 9.678 1.00 0.00 H new ATOM 0 HG22 ILE A 73 5.274 15.300 9.361 1.00 0.00 H new ATOM 0 HG23 ILE A 73 4.560 16.405 10.558 1.00 0.00 H new ATOM 0 HD11 ILE A 73 1.402 18.869 7.794 1.00 0.00 H new ATOM 0 HD12 ILE A 73 2.989 18.878 6.989 1.00 0.00 H new ATOM 0 HD13 ILE A 73 1.981 17.411 6.953 1.00 0.00 H new ATOM 1200 N ALA A 74 6.662 17.903 10.470 1.00 0.00 N ATOM 1201 CA ALA A 74 7.054 18.473 11.796 1.00 0.00 C ATOM 1202 C ALA A 74 7.714 19.840 11.600 1.00 0.00 C ATOM 1203 O ALA A 74 7.466 20.771 12.342 1.00 0.00 O ATOM 1204 CB ALA A 74 8.054 17.476 12.388 1.00 0.00 C ATOM 0 H ALA A 74 7.147 17.045 10.207 1.00 0.00 H new ATOM 0 HA ALA A 74 6.196 18.618 12.452 1.00 0.00 H new ATOM 0 HB1 ALA A 74 8.386 17.830 13.364 1.00 0.00 H new ATOM 0 HB2 ALA A 74 7.576 16.503 12.498 1.00 0.00 H new ATOM 0 HB3 ALA A 74 8.913 17.385 11.724 1.00 0.00 H new ATOM 1210 N ALA A 75 8.549 19.963 10.600 1.00 0.00 N ATOM 1211 CA ALA A 75 9.230 21.265 10.338 1.00 0.00 C ATOM 1212 C ALA A 75 8.437 22.106 9.325 1.00 0.00 C ATOM 1213 O ALA A 75 8.796 23.233 9.038 1.00 0.00 O ATOM 1214 CB ALA A 75 10.593 20.882 9.760 1.00 0.00 C ATOM 0 H ALA A 75 8.789 19.213 9.951 1.00 0.00 H new ATOM 0 HA ALA A 75 9.315 21.869 11.242 1.00 0.00 H new ATOM 0 HB1 ALA A 75 11.161 21.785 9.538 1.00 0.00 H new ATOM 0 HB2 ALA A 75 11.139 20.279 10.485 1.00 0.00 H new ATOM 0 HB3 ALA A 75 10.452 20.308 8.844 1.00 0.00 H new ATOM 1220 N TYR A 76 7.365 21.575 8.780 1.00 0.00 N ATOM 1221 CA TYR A 76 6.562 22.350 7.787 1.00 0.00 C ATOM 1222 C TYR A 76 5.504 23.203 8.495 1.00 0.00 C ATOM 1223 O TYR A 76 5.055 24.205 7.969 1.00 0.00 O ATOM 1224 CB TYR A 76 5.896 21.292 6.906 1.00 0.00 C ATOM 1225 CG TYR A 76 5.172 21.969 5.769 1.00 0.00 C ATOM 1226 CD1 TYR A 76 5.863 22.288 4.594 1.00 0.00 C ATOM 1227 CD2 TYR A 76 3.812 22.279 5.888 1.00 0.00 C ATOM 1228 CE1 TYR A 76 5.194 22.918 3.538 1.00 0.00 C ATOM 1229 CE2 TYR A 76 3.143 22.909 4.831 1.00 0.00 C ATOM 1230 CZ TYR A 76 3.835 23.228 3.656 1.00 0.00 C ATOM 1231 OH TYR A 76 3.176 23.849 2.615 1.00 0.00 O ATOM 0 H TYR A 76 7.015 20.639 8.982 1.00 0.00 H new ATOM 0 HA TYR A 76 7.180 23.037 7.209 1.00 0.00 H new ATOM 0 HB2 TYR A 76 6.646 20.604 6.516 1.00 0.00 H new ATOM 0 HB3 TYR A 76 5.196 20.700 7.496 1.00 0.00 H new ATOM 0 HD1 TYR A 76 6.912 22.048 4.502 1.00 0.00 H new ATOM 0 HD2 TYR A 76 3.279 22.032 6.794 1.00 0.00 H new ATOM 0 HE1 TYR A 76 5.727 23.165 2.632 1.00 0.00 H new ATOM 0 HE2 TYR A 76 2.094 23.149 4.922 1.00 0.00 H new ATOM 0 HH TYR A 76 3.588 23.588 1.765 1.00 0.00 H new ATOM 1241 N ARG A 77 5.099 22.812 9.679 1.00 0.00 N ATOM 1242 CA ARG A 77 4.067 23.602 10.417 1.00 0.00 C ATOM 1243 C ARG A 77 4.668 24.920 10.928 1.00 0.00 C ATOM 1244 O ARG A 77 4.477 25.965 10.333 1.00 0.00 O ATOM 1245 CB ARG A 77 3.633 22.708 11.583 1.00 0.00 C ATOM 1246 CG ARG A 77 2.879 21.490 11.042 1.00 0.00 C ATOM 1247 CD ARG A 77 3.045 20.313 12.007 1.00 0.00 C ATOM 1248 NE ARG A 77 1.765 20.252 12.763 1.00 0.00 N ATOM 1249 CZ ARG A 77 1.018 19.183 12.697 1.00 0.00 C ATOM 1250 NH1 ARG A 77 1.246 18.179 13.498 1.00 0.00 N ATOM 1251 NH2 ARG A 77 0.044 19.120 11.831 1.00 0.00 N ATOM 0 H ARG A 77 5.438 21.982 10.165 1.00 0.00 H new ATOM 0 HA ARG A 77 3.222 23.871 9.782 1.00 0.00 H new ATOM 0 HB2 ARG A 77 4.505 22.386 12.152 1.00 0.00 H new ATOM 0 HB3 ARG A 77 2.996 23.269 12.267 1.00 0.00 H new ATOM 0 HG2 ARG A 77 1.822 21.728 10.921 1.00 0.00 H new ATOM 0 HG3 ARG A 77 3.260 21.222 10.057 1.00 0.00 H new ATOM 0 HD2 ARG A 77 3.230 19.384 11.468 1.00 0.00 H new ATOM 0 HD3 ARG A 77 3.892 20.467 12.676 1.00 0.00 H new ATOM 0 HE ARG A 77 1.471 21.045 13.333 1.00 0.00 H new ATOM 0 HH11 ARG A 77 2.007 18.229 14.175 1.00 0.00 H new ATOM 0 HH12 ARG A 77 0.663 17.344 13.447 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -0.134 19.906 11.206 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -0.539 18.285 11.780 1.00 0.00 H new ATOM 1265 N ALA A 78 5.389 24.881 12.022 1.00 0.00 N ATOM 1266 CA ALA A 78 5.998 26.128 12.572 1.00 0.00 C ATOM 1267 C ALA A 78 7.496 25.899 12.843 1.00 0.00 C ATOM 1268 O ALA A 78 8.154 25.185 12.111 1.00 0.00 O ATOM 1269 CB ALA A 78 5.225 26.391 13.868 1.00 0.00 C ATOM 0 H ALA A 78 5.581 24.035 12.558 1.00 0.00 H new ATOM 0 HA ALA A 78 5.935 26.976 11.890 1.00 0.00 H new ATOM 0 HB1 ALA A 78 5.608 27.294 14.343 1.00 0.00 H new ATOM 0 HB2 ALA A 78 4.167 26.521 13.641 1.00 0.00 H new ATOM 0 HB3 ALA A 78 5.350 25.545 14.544 1.00 0.00 H new ATOM 1275 N LYS A 79 8.043 26.493 13.884 1.00 0.00 N ATOM 1276 CA LYS A 79 9.500 26.303 14.198 1.00 0.00 C ATOM 1277 C LYS A 79 10.367 26.632 12.978 1.00 0.00 C ATOM 1278 O LYS A 79 11.514 26.218 12.962 1.00 0.00 O ATOM 1279 CB LYS A 79 9.648 24.830 14.580 1.00 0.00 C ATOM 1280 CG LYS A 79 8.774 24.521 15.799 1.00 0.00 C ATOM 1281 CD LYS A 79 8.179 23.117 15.661 1.00 0.00 C ATOM 1282 CE LYS A 79 7.047 23.141 14.630 1.00 0.00 C ATOM 1283 NZ LYS A 79 6.203 21.959 14.960 1.00 0.00 N ATOM 1284 OXT LYS A 79 9.868 27.293 12.081 1.00 0.00 O ATOM 0 H LYS A 79 7.541 27.102 14.530 1.00 0.00 H new ATOM 0 HA LYS A 79 9.826 26.964 15.001 1.00 0.00 H new ATOM 0 HB2 LYS A 79 9.357 24.196 13.742 1.00 0.00 H new ATOM 0 HB3 LYS A 79 10.691 24.605 14.802 1.00 0.00 H new ATOM 0 HG2 LYS A 79 9.367 24.588 16.711 1.00 0.00 H new ATOM 0 HG3 LYS A 79 7.976 25.259 15.883 1.00 0.00 H new ATOM 0 HD2 LYS A 79 8.951 22.412 15.353 1.00 0.00 H new ATOM 0 HD3 LYS A 79 7.801 22.774 16.624 1.00 0.00 H new ATOM 0 HE2 LYS A 79 6.474 24.066 14.694 1.00 0.00 H new ATOM 0 HE3 LYS A 79 7.437 23.077 13.614 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 6.240 21.276 14.176 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 6.559 21.510 15.828 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 5.220 22.265 15.107 1.00 0.00 H new TER 1298 LYS A 79