USER MOD reduce.3.24.130724 H: found=0, std=0, add=666, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 667 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 48 ASN : amide:sc= -0.0329 K(o=-7.4,f=-5.8) USER MOD Set 1.2: A 73 ASN : amide:sc= -7.37! C(o=-7.4!,f=-5.8!) USER MOD Set 2.1: A 59 CYS SG : rot 30:sc= -7.29! USER MOD Set 2.2: A 65 CYS SG : rot 154:sc= -5.11! USER MOD Set 3.1: A 52 CYS SG : rot 53:sc= -0.33! USER MOD Set 3.2: A 56 ASN : amide:sc= -3.25! C(o=-3.6!,f=-7.1!) USER MOD Set 4.1: A 51 THR OG1 : rot -73:sc= 0.0498 USER MOD Set 4.2: A 67 ASN : amide:sc= -1.63 K(o=-1.6,f=-4!) USER MOD Set 5.1: A 32 CYS SG : rot 160:sc= 0.634 USER MOD Set 5.2: A 44 CYS SG : rot -86:sc= -5.09! USER MOD Set 6.1: A 8 CYS SG : rot 22:sc= 1.88 USER MOD Set 6.2: A 20 CYS SG : rot 78:sc= 1.47 USER MOD Set 6.3: A 89 TYR OH : rot -86:sc= 0.904 USER MOD Single : A 5 LYS NZ :NH3+ 133:sc= -0.109 (180deg=-0.621) USER MOD Single : A 6 HIS : no HD1:sc= -6.77! C(o=-6.8!,f=-11!) USER MOD Single : A 11 THR OG1 : rot 17:sc= 0.75 USER MOD Single : A 16 LYS NZ :NH3+ -170:sc= 0.609 (180deg=0.403) USER MOD Single : A 17 ASN : amide:sc= 0.983 K(o=0.98,f=-0.49) USER MOD Single : A 27 THR OG1 : rot 72:sc= 1.25 USER MOD Single : A 28 LYS NZ :NH3+ 169:sc= 1.11 (180deg=1) USER MOD Single : A 36 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 ASN : amide:sc= 0 K(o=0,f=-0.73) USER MOD Single : A 43 THR OG1 : rot -170:sc= -0.167 USER MOD Single : A 47 ASN : amide:sc= -2.24! C(o=-2.2!,f=-3.4!) USER MOD Single : A 49 ASN : amide:sc= -0.9 K(o=-0.9,f=-0.026) USER MOD Single : A 55 ASN : amide:sc= -1.32 X(o=-1.3,f=-1.1) USER MOD Single : A 62 THR OG1 : rot -72:sc= 1.31 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 66 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 70 SER OG : rot 180:sc= 0.041 USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 SER OG : rot -37:sc= 0.0576 USER MOD Single : A 75 LYS NZ :NH3+ -160:sc= -1.5 (180deg=-2.22!) USER MOD Single : A 76 LYS NZ :NH3+ -160:sc= 0.0199 (180deg=-0.369) USER MOD Single : A 79 CYS SG : rot 33:sc= -3.59! USER MOD Single : A 80 THR OG1 : rot 180:sc= 0 USER MOD Single : A 81 CYS SG : rot -153:sc= -3.85! USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 THR OG1 : rot 23:sc= 0.505 USER MOD Single : A 87 ASN : amide:sc= -0.751 X(o=-0.75,f=-0.59) USER MOD Single : A 90 TYR OH : rot 180:sc= 0 USER MOD Single : A 95 CYS SG : rot -77:sc= 0.478 USER MOD Single : A 96 SER OG : rot 130:sc= 2.03 USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 26 N ASP A 3 -11.041 -7.913 4.023 1.00 0.00 N ATOM 27 CA ASP A 3 -11.616 -8.261 2.743 1.00 0.00 C ATOM 28 C ASP A 3 -11.540 -7.052 1.817 1.00 0.00 C ATOM 29 O ASP A 3 -12.401 -6.197 1.856 1.00 0.00 O ATOM 30 CB ASP A 3 -13.077 -8.677 2.916 1.00 0.00 C ATOM 31 CG ASP A 3 -13.255 -9.858 3.849 1.00 0.00 C ATOM 32 OD1 ASP A 3 -13.410 -9.638 5.068 1.00 0.00 O ATOM 33 OD2 ASP A 3 -13.247 -11.008 3.368 1.00 0.00 O ATOM 0 HA ASP A 3 -11.060 -9.095 2.315 1.00 0.00 H new ATOM 0 HB2 ASP A 3 -13.646 -7.830 3.300 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -13.495 -8.926 1.941 1.00 0.00 H new ATOM 38 N PRO A 4 -10.494 -6.999 0.987 1.00 0.00 N ATOM 39 CA PRO A 4 -10.215 -5.947 -0.012 1.00 0.00 C ATOM 40 C PRO A 4 -11.403 -5.293 -0.732 1.00 0.00 C ATOM 41 O PRO A 4 -11.257 -4.172 -1.184 1.00 0.00 O ATOM 42 CB PRO A 4 -9.412 -6.755 -1.018 1.00 0.00 C ATOM 43 CG PRO A 4 -8.597 -7.678 -0.197 1.00 0.00 C ATOM 44 CD PRO A 4 -9.365 -7.931 1.061 1.00 0.00 C ATOM 0 HA PRO A 4 -9.756 -5.083 0.468 1.00 0.00 H new ATOM 0 HB2 PRO A 4 -10.065 -7.302 -1.698 1.00 0.00 H new ATOM 0 HB3 PRO A 4 -8.782 -6.110 -1.631 1.00 0.00 H new ATOM 0 HG2 PRO A 4 -8.413 -8.610 -0.731 1.00 0.00 H new ATOM 0 HG3 PRO A 4 -7.624 -7.240 0.026 1.00 0.00 H new ATOM 0 HD2 PRO A 4 -9.705 -8.965 1.119 1.00 0.00 H new ATOM 0 HD3 PRO A 4 -8.754 -7.747 1.945 1.00 0.00 H new ATOM 52 N LYS A 5 -12.549 -5.962 -0.803 1.00 0.00 N ATOM 53 CA LYS A 5 -13.775 -5.504 -1.528 1.00 0.00 C ATOM 54 C LYS A 5 -14.198 -4.016 -1.331 1.00 0.00 C ATOM 55 O LYS A 5 -15.235 -3.599 -1.843 1.00 0.00 O ATOM 56 CB LYS A 5 -14.923 -6.380 -1.059 1.00 0.00 C ATOM 57 CG LYS A 5 -15.094 -6.269 0.431 1.00 0.00 C ATOM 58 CD LYS A 5 -16.239 -5.341 0.801 1.00 0.00 C ATOM 59 CE LYS A 5 -17.593 -5.993 0.566 1.00 0.00 C ATOM 60 NZ LYS A 5 -17.755 -7.219 1.390 1.00 0.00 N ATOM 0 H LYS A 5 -12.676 -6.868 -0.351 1.00 0.00 H new ATOM 0 HA LYS A 5 -13.535 -5.586 -2.588 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -15.844 -6.082 -1.560 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -14.732 -7.418 -1.333 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -15.278 -7.258 0.850 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -14.170 -5.901 0.876 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -16.151 -5.054 1.849 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -16.169 -4.426 0.213 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -18.386 -5.285 0.805 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -17.699 -6.245 -0.489 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -18.685 -7.204 1.856 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -17.687 -8.059 0.780 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -17.007 -7.254 2.112 1.00 0.00 H new ATOM 74 N HIS A 6 -13.418 -3.240 -0.607 1.00 0.00 N ATOM 75 CA HIS A 6 -13.799 -1.894 -0.181 1.00 0.00 C ATOM 76 C HIS A 6 -13.870 -0.927 -1.351 1.00 0.00 C ATOM 77 O HIS A 6 -14.801 -0.132 -1.438 1.00 0.00 O ATOM 78 CB HIS A 6 -12.715 -1.365 0.755 1.00 0.00 C ATOM 79 CG HIS A 6 -12.368 -2.259 1.901 1.00 0.00 C ATOM 80 ND1 HIS A 6 -11.480 -1.907 2.890 1.00 0.00 N ATOM 81 CD2 HIS A 6 -12.765 -3.505 2.190 1.00 0.00 C ATOM 82 CE1 HIS A 6 -11.354 -2.906 3.741 1.00 0.00 C ATOM 83 NE2 HIS A 6 -12.132 -3.888 3.343 1.00 0.00 N ATOM 0 H HIS A 6 -12.490 -3.522 -0.290 1.00 0.00 H new ATOM 0 HA HIS A 6 -14.778 -1.960 0.294 1.00 0.00 H new ATOM 0 HB2 HIS A 6 -11.812 -1.182 0.172 1.00 0.00 H new ATOM 0 HB3 HIS A 6 -13.039 -0.403 1.152 1.00 0.00 H new ATOM 0 HD2 HIS A 6 -13.460 -4.101 1.617 1.00 0.00 H new ATOM 0 HE1 HIS A 6 -10.720 -2.916 4.615 1.00 0.00 H new ATOM 0 HE2 HIS A 6 -12.245 -4.786 3.814 1.00 0.00 H new ATOM 92 N VAL A 7 -12.936 -1.106 -2.280 1.00 0.00 N ATOM 93 CA VAL A 7 -12.663 -0.167 -3.407 1.00 0.00 C ATOM 94 C VAL A 7 -12.744 1.321 -3.041 1.00 0.00 C ATOM 95 O VAL A 7 -13.284 1.719 -2.021 1.00 0.00 O ATOM 96 CB VAL A 7 -13.553 -0.424 -4.642 1.00 0.00 C ATOM 97 CG1 VAL A 7 -13.559 -1.893 -4.999 1.00 0.00 C ATOM 98 CG2 VAL A 7 -14.962 0.096 -4.427 1.00 0.00 C ATOM 0 H VAL A 7 -12.324 -1.922 -2.287 1.00 0.00 H new ATOM 0 HA VAL A 7 -11.625 -0.389 -3.655 1.00 0.00 H new ATOM 0 HB VAL A 7 -13.129 0.127 -5.482 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -14.192 -2.053 -5.872 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -12.543 -2.217 -5.224 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -13.947 -2.470 -4.159 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -15.562 -0.101 -5.315 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -15.408 -0.407 -3.569 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -14.929 1.170 -4.242 1.00 0.00 H new ATOM 108 N CYS A 8 -12.207 2.154 -3.916 1.00 0.00 N ATOM 109 CA CYS A 8 -12.078 3.569 -3.627 1.00 0.00 C ATOM 110 C CYS A 8 -12.685 4.413 -4.734 1.00 0.00 C ATOM 111 O CYS A 8 -12.741 3.996 -5.890 1.00 0.00 O ATOM 112 CB CYS A 8 -10.606 3.923 -3.424 1.00 0.00 C ATOM 113 SG CYS A 8 -9.560 3.660 -4.874 1.00 0.00 S ATOM 0 H CYS A 8 -11.854 1.874 -4.831 1.00 0.00 H new ATOM 0 HA CYS A 8 -12.626 3.786 -2.710 1.00 0.00 H new ATOM 0 HB2 CYS A 8 -10.536 4.969 -3.127 1.00 0.00 H new ATOM 0 HB3 CYS A 8 -10.214 3.330 -2.598 1.00 0.00 H new ATOM 0 HG CYS A 8 -10.295 3.664 -5.946 1.00 0.00 H new ATOM 119 N VAL A 9 -13.152 5.598 -4.362 1.00 0.00 N ATOM 120 CA VAL A 9 -13.815 6.486 -5.302 1.00 0.00 C ATOM 121 C VAL A 9 -13.098 7.828 -5.374 1.00 0.00 C ATOM 122 O VAL A 9 -12.585 8.221 -6.417 1.00 0.00 O ATOM 123 CB VAL A 9 -15.280 6.749 -4.891 1.00 0.00 C ATOM 124 CG1 VAL A 9 -16.005 7.556 -5.956 1.00 0.00 C ATOM 125 CG2 VAL A 9 -16.015 5.445 -4.617 1.00 0.00 C ATOM 0 H VAL A 9 -13.082 5.965 -3.413 1.00 0.00 H new ATOM 0 HA VAL A 9 -13.791 5.992 -6.273 1.00 0.00 H new ATOM 0 HB VAL A 9 -15.267 7.331 -3.969 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -17.035 7.728 -5.644 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -15.502 8.513 -6.092 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -15.999 7.006 -6.897 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -17.044 5.661 -4.330 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -16.011 4.829 -5.516 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -15.517 4.910 -3.808 1.00 0.00 H new ATOM 135 N ASP A 10 -13.074 8.520 -4.243 1.00 0.00 N ATOM 136 CA ASP A 10 -12.544 9.877 -4.167 1.00 0.00 C ATOM 137 C ASP A 10 -11.031 9.862 -4.135 1.00 0.00 C ATOM 138 O ASP A 10 -10.381 10.214 -5.115 1.00 0.00 O ATOM 139 CB ASP A 10 -13.050 10.568 -2.905 1.00 0.00 C ATOM 140 CG ASP A 10 -14.503 10.286 -2.630 1.00 0.00 C ATOM 141 OD1 ASP A 10 -14.821 9.153 -2.218 1.00 0.00 O ATOM 142 OD2 ASP A 10 -15.326 11.200 -2.808 1.00 0.00 O ATOM 0 H ASP A 10 -13.420 8.159 -3.354 1.00 0.00 H new ATOM 0 HA ASP A 10 -12.882 10.418 -5.051 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -12.453 10.242 -2.053 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -12.905 11.644 -3.002 1.00 0.00 H new ATOM 147 N THR A 11 -10.485 9.462 -2.990 1.00 0.00 N ATOM 148 CA THR A 11 -9.040 9.369 -2.788 1.00 0.00 C ATOM 149 C THR A 11 -8.325 10.667 -3.165 1.00 0.00 C ATOM 150 O THR A 11 -7.211 10.662 -3.686 1.00 0.00 O ATOM 151 CB THR A 11 -8.450 8.157 -3.537 1.00 0.00 C ATOM 152 OG1 THR A 11 -8.765 8.200 -4.934 1.00 0.00 O ATOM 153 CG2 THR A 11 -9.002 6.875 -2.934 1.00 0.00 C ATOM 0 H THR A 11 -11.033 9.192 -2.173 1.00 0.00 H new ATOM 0 HA THR A 11 -8.871 9.214 -1.722 1.00 0.00 H new ATOM 0 HB THR A 11 -7.365 8.188 -3.433 1.00 0.00 H new ATOM 0 HG1 THR A 11 -9.044 9.107 -5.179 1.00 0.00 H new ATOM 0 HG21 THR A 11 -8.587 6.016 -3.462 1.00 0.00 H new ATOM 0 HG22 THR A 11 -8.728 6.821 -1.880 1.00 0.00 H new ATOM 0 HG23 THR A 11 -10.088 6.867 -3.027 1.00 0.00 H new ATOM 161 N ARG A 12 -8.988 11.782 -2.875 1.00 0.00 N ATOM 162 CA ARG A 12 -8.421 13.107 -3.078 1.00 0.00 C ATOM 163 C ARG A 12 -7.623 13.511 -1.848 1.00 0.00 C ATOM 164 O ARG A 12 -6.940 14.535 -1.826 1.00 0.00 O ATOM 165 CB ARG A 12 -9.541 14.104 -3.353 1.00 0.00 C ATOM 166 CG ARG A 12 -10.236 13.848 -4.676 1.00 0.00 C ATOM 167 CD ARG A 12 -11.544 14.605 -4.783 1.00 0.00 C ATOM 168 NE ARG A 12 -12.641 13.909 -4.108 1.00 0.00 N ATOM 169 CZ ARG A 12 -13.761 14.503 -3.699 1.00 0.00 C ATOM 170 NH1 ARG A 12 -13.911 15.814 -3.826 1.00 0.00 N ATOM 171 NH2 ARG A 12 -14.741 13.788 -3.161 1.00 0.00 N ATOM 0 H ARG A 12 -9.934 11.790 -2.493 1.00 0.00 H new ATOM 0 HA ARG A 12 -7.750 13.097 -3.937 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -10.273 14.055 -2.547 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -9.132 15.114 -3.351 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -9.579 14.142 -5.494 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -10.425 12.780 -4.786 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -11.424 15.598 -4.349 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -11.796 14.745 -5.834 1.00 0.00 H new ATOM 0 HE ARG A 12 -12.542 12.908 -3.941 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -13.166 16.375 -4.239 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -14.771 16.262 -3.511 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -14.639 12.778 -3.059 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -15.596 14.248 -2.850 1.00 0.00 H new ATOM 185 N ASP A 13 -7.733 12.679 -0.821 1.00 0.00 N ATOM 186 CA ASP A 13 -6.980 12.848 0.418 1.00 0.00 C ATOM 187 C ASP A 13 -5.661 12.097 0.314 1.00 0.00 C ATOM 188 O ASP A 13 -4.873 12.050 1.259 1.00 0.00 O ATOM 189 CB ASP A 13 -7.777 12.289 1.604 1.00 0.00 C ATOM 190 CG ASP A 13 -9.203 12.803 1.653 1.00 0.00 C ATOM 191 OD1 ASP A 13 -9.406 13.980 2.007 1.00 0.00 O ATOM 192 OD2 ASP A 13 -10.132 12.031 1.315 1.00 0.00 O ATOM 0 H ASP A 13 -8.348 11.865 -0.822 1.00 0.00 H new ATOM 0 HA ASP A 13 -6.796 13.911 0.575 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -7.790 11.201 1.545 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -7.270 12.552 2.532 1.00 0.00 H new ATOM 197 N ILE A 14 -5.442 11.505 -0.851 1.00 0.00 N ATOM 198 CA ILE A 14 -4.322 10.604 -1.075 1.00 0.00 C ATOM 199 C ILE A 14 -3.118 11.367 -1.636 1.00 0.00 C ATOM 200 O ILE A 14 -3.172 11.931 -2.732 1.00 0.00 O ATOM 201 CB ILE A 14 -4.743 9.448 -2.020 1.00 0.00 C ATOM 202 CG1 ILE A 14 -5.506 8.339 -1.253 1.00 0.00 C ATOM 203 CG2 ILE A 14 -3.526 8.855 -2.735 1.00 0.00 C ATOM 204 CD1 ILE A 14 -6.581 8.820 -0.280 1.00 0.00 C ATOM 0 H ILE A 14 -6.037 11.636 -1.669 1.00 0.00 H new ATOM 0 HA ILE A 14 -4.025 10.171 -0.120 1.00 0.00 H new ATOM 0 HB ILE A 14 -5.416 9.868 -2.767 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -5.973 7.676 -1.981 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -4.781 7.743 -0.698 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -3.848 8.047 -3.391 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -3.038 9.630 -3.326 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -2.824 8.466 -1.997 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -7.049 7.960 0.200 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -6.126 9.456 0.479 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -7.336 9.387 -0.824 1.00 0.00 H new ATOM 216 N PRO A 15 -2.041 11.419 -0.844 1.00 0.00 N ATOM 217 CA PRO A 15 -0.803 12.142 -1.176 1.00 0.00 C ATOM 218 C PRO A 15 0.018 11.521 -2.304 1.00 0.00 C ATOM 219 O PRO A 15 -0.330 10.477 -2.860 1.00 0.00 O ATOM 220 CB PRO A 15 0.014 12.079 0.116 1.00 0.00 C ATOM 221 CG PRO A 15 -0.927 11.623 1.170 1.00 0.00 C ATOM 222 CD PRO A 15 -1.969 10.809 0.486 1.00 0.00 C ATOM 0 HA PRO A 15 -1.049 13.143 -1.529 1.00 0.00 H new ATOM 0 HB2 PRO A 15 0.852 11.389 0.015 1.00 0.00 H new ATOM 0 HB3 PRO A 15 0.433 13.055 0.362 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -0.407 11.032 1.924 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -1.375 12.473 1.684 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -1.689 9.757 0.433 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -2.926 10.859 1.006 1.00 0.00 H new ATOM 230 N LYS A 16 1.120 12.196 -2.623 1.00 0.00 N ATOM 231 CA LYS A 16 2.091 11.745 -3.591 1.00 0.00 C ATOM 232 C LYS A 16 2.655 10.378 -3.257 1.00 0.00 C ATOM 233 O LYS A 16 2.853 10.054 -2.082 1.00 0.00 O ATOM 234 CB LYS A 16 3.246 12.728 -3.596 1.00 0.00 C ATOM 235 CG LYS A 16 3.963 12.775 -4.908 1.00 0.00 C ATOM 236 CD LYS A 16 5.301 13.493 -4.807 1.00 0.00 C ATOM 237 CE LYS A 16 5.120 14.944 -4.414 1.00 0.00 C ATOM 238 NZ LYS A 16 6.407 15.594 -4.046 1.00 0.00 N ATOM 0 H LYS A 16 1.359 13.093 -2.200 1.00 0.00 H new ATOM 0 HA LYS A 16 1.590 11.681 -4.557 1.00 0.00 H new ATOM 0 HB2 LYS A 16 2.871 13.723 -3.356 1.00 0.00 H new ATOM 0 HB3 LYS A 16 3.952 12.456 -2.811 1.00 0.00 H new ATOM 0 HG2 LYS A 16 4.124 11.759 -5.269 1.00 0.00 H new ATOM 0 HG3 LYS A 16 3.337 13.279 -5.644 1.00 0.00 H new ATOM 0 HD2 LYS A 16 5.931 12.991 -4.072 1.00 0.00 H new ATOM 0 HD3 LYS A 16 5.820 13.435 -5.764 1.00 0.00 H new ATOM 0 HE2 LYS A 16 4.664 15.488 -5.241 1.00 0.00 H new ATOM 0 HE3 LYS A 16 4.430 15.007 -3.573 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 6.217 16.526 -3.625 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 6.912 15.000 -3.358 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 6.993 15.711 -4.897 1.00 0.00 H new ATOM 252 N ASN A 17 2.929 9.594 -4.309 1.00 0.00 N ATOM 253 CA ASN A 17 3.619 8.306 -4.186 1.00 0.00 C ATOM 254 C ASN A 17 2.827 7.356 -3.314 1.00 0.00 C ATOM 255 O ASN A 17 3.314 6.303 -2.891 1.00 0.00 O ATOM 256 CB ASN A 17 5.018 8.514 -3.607 1.00 0.00 C ATOM 257 CG ASN A 17 5.883 9.392 -4.492 1.00 0.00 C ATOM 258 OD1 ASN A 17 5.921 9.226 -5.712 1.00 0.00 O ATOM 259 ND2 ASN A 17 6.546 10.363 -3.886 1.00 0.00 N ATOM 0 H ASN A 17 2.678 9.836 -5.268 1.00 0.00 H new ATOM 0 HA ASN A 17 3.708 7.865 -5.179 1.00 0.00 H new ATOM 0 HB2 ASN A 17 4.936 8.967 -2.619 1.00 0.00 H new ATOM 0 HB3 ASN A 17 5.502 7.546 -3.475 1.00 0.00 H new ATOM 0 HD21 ASN A 17 7.116 11.009 -4.432 1.00 0.00 H new ATOM 0 HD22 ASN A 17 6.487 10.466 -2.873 1.00 0.00 H new ATOM 266 N ALA A 18 1.603 7.750 -3.045 1.00 0.00 N ATOM 267 CA ALA A 18 0.723 6.992 -2.208 1.00 0.00 C ATOM 268 C ALA A 18 -0.387 6.399 -3.044 1.00 0.00 C ATOM 269 O ALA A 18 -1.010 7.088 -3.851 1.00 0.00 O ATOM 270 CB ALA A 18 0.155 7.882 -1.108 1.00 0.00 C ATOM 0 H ALA A 18 1.195 8.612 -3.407 1.00 0.00 H new ATOM 0 HA ALA A 18 1.278 6.180 -1.739 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -0.513 7.297 -0.476 1.00 0.00 H new ATOM 0 HB2 ALA A 18 0.971 8.279 -0.504 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -0.399 8.707 -1.557 1.00 0.00 H new ATOM 276 N GLY A 19 -0.598 5.117 -2.874 1.00 0.00 N ATOM 277 CA GLY A 19 -1.695 4.458 -3.531 1.00 0.00 C ATOM 278 C GLY A 19 -3.007 4.824 -2.878 1.00 0.00 C ATOM 279 O GLY A 19 -3.024 5.268 -1.726 1.00 0.00 O ATOM 0 H GLY A 19 -0.024 4.512 -2.287 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -1.716 4.739 -4.584 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -1.553 3.378 -3.492 1.00 0.00 H new ATOM 283 N CYS A 20 -4.096 4.656 -3.588 1.00 0.00 N ATOM 284 CA CYS A 20 -5.376 5.070 -3.077 1.00 0.00 C ATOM 285 C CYS A 20 -6.231 3.863 -2.678 1.00 0.00 C ATOM 286 O CYS A 20 -6.228 2.840 -3.359 1.00 0.00 O ATOM 287 CB CYS A 20 -6.069 5.919 -4.135 1.00 0.00 C ATOM 288 SG CYS A 20 -6.527 5.018 -5.637 1.00 0.00 S ATOM 0 H CYS A 20 -4.120 4.237 -4.518 1.00 0.00 H new ATOM 0 HA CYS A 20 -5.235 5.663 -2.174 1.00 0.00 H new ATOM 0 HB2 CYS A 20 -6.968 6.357 -3.700 1.00 0.00 H new ATOM 0 HB3 CYS A 20 -5.412 6.745 -4.408 1.00 0.00 H new ATOM 0 HG CYS A 20 -7.606 4.328 -5.417 1.00 0.00 H new ATOM 294 N PHE A 21 -6.938 3.980 -1.556 1.00 0.00 N ATOM 295 CA PHE A 21 -7.760 2.887 -1.048 1.00 0.00 C ATOM 296 C PHE A 21 -8.891 3.429 -0.178 1.00 0.00 C ATOM 297 O PHE A 21 -8.803 4.534 0.336 1.00 0.00 O ATOM 298 CB PHE A 21 -6.883 1.922 -0.245 1.00 0.00 C ATOM 299 CG PHE A 21 -7.597 0.721 0.320 1.00 0.00 C ATOM 300 CD1 PHE A 21 -8.288 -0.160 -0.505 1.00 0.00 C ATOM 301 CD2 PHE A 21 -7.546 0.457 1.678 1.00 0.00 C ATOM 302 CE1 PHE A 21 -8.914 -1.281 0.027 1.00 0.00 C ATOM 303 CE2 PHE A 21 -8.173 -0.657 2.208 1.00 0.00 C ATOM 304 CZ PHE A 21 -8.853 -1.526 1.378 1.00 0.00 C ATOM 0 H PHE A 21 -6.957 4.823 -0.981 1.00 0.00 H new ATOM 0 HA PHE A 21 -8.205 2.353 -1.888 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -6.073 1.574 -0.886 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -6.425 2.472 0.577 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -8.339 0.028 -1.567 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -7.010 1.129 2.332 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -9.448 -1.960 -0.621 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -8.130 -0.847 3.270 1.00 0.00 H new ATOM 0 HZ PHE A 21 -9.337 -2.399 1.791 1.00 0.00 H new ATOM 314 N ARG A 22 -9.983 2.692 -0.092 1.00 0.00 N ATOM 315 CA ARG A 22 -11.033 2.985 0.867 1.00 0.00 C ATOM 316 C ARG A 22 -11.138 1.816 1.821 1.00 0.00 C ATOM 317 O ARG A 22 -10.903 0.688 1.419 1.00 0.00 O ATOM 318 CB ARG A 22 -12.371 3.169 0.171 1.00 0.00 C ATOM 319 CG ARG A 22 -13.317 4.075 0.939 1.00 0.00 C ATOM 320 CD ARG A 22 -13.914 5.170 0.068 1.00 0.00 C ATOM 321 NE ARG A 22 -14.964 5.906 0.772 1.00 0.00 N ATOM 322 CZ ARG A 22 -16.021 6.471 0.182 1.00 0.00 C ATOM 323 NH1 ARG A 22 -16.188 6.383 -1.133 1.00 0.00 N ATOM 324 NH2 ARG A 22 -16.917 7.117 0.912 1.00 0.00 N ATOM 0 H ARG A 22 -10.167 1.879 -0.680 1.00 0.00 H new ATOM 0 HA ARG A 22 -10.788 3.907 1.394 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -12.204 3.585 -0.822 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -12.840 2.195 0.034 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -14.122 3.476 1.366 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -12.782 4.530 1.772 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -13.128 5.860 -0.239 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -14.324 4.730 -0.841 1.00 0.00 H new ATOM 0 HE ARG A 22 -14.883 5.994 1.785 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -15.506 5.881 -1.701 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -16.998 6.818 -1.574 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -16.800 7.183 1.923 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -17.725 7.549 0.463 1.00 0.00 H new ATOM 338 N ASP A 23 -11.447 2.055 3.078 1.00 0.00 N ATOM 339 CA ASP A 23 -11.608 0.941 4.000 1.00 0.00 C ATOM 340 C ASP A 23 -13.086 0.598 4.174 1.00 0.00 C ATOM 341 O ASP A 23 -13.951 1.365 3.760 1.00 0.00 O ATOM 342 CB ASP A 23 -10.961 1.244 5.356 1.00 0.00 C ATOM 343 CG ASP A 23 -11.042 0.064 6.302 1.00 0.00 C ATOM 344 OD1 ASP A 23 -10.283 -0.905 6.102 1.00 0.00 O ATOM 345 OD2 ASP A 23 -11.895 0.084 7.212 1.00 0.00 O ATOM 0 H ASP A 23 -11.589 2.981 3.481 1.00 0.00 H new ATOM 0 HA ASP A 23 -11.099 0.077 3.573 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -9.916 1.517 5.206 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -11.454 2.105 5.808 1.00 0.00 H new ATOM 350 N ASP A 24 -13.364 -0.549 4.791 1.00 0.00 N ATOM 351 CA ASP A 24 -14.730 -1.018 5.010 1.00 0.00 C ATOM 352 C ASP A 24 -15.514 -0.002 5.834 1.00 0.00 C ATOM 353 O ASP A 24 -16.732 0.118 5.713 1.00 0.00 O ATOM 354 CB ASP A 24 -14.700 -2.375 5.721 1.00 0.00 C ATOM 355 CG ASP A 24 -16.078 -2.942 5.996 1.00 0.00 C ATOM 356 OD1 ASP A 24 -16.655 -3.575 5.088 1.00 0.00 O ATOM 357 OD2 ASP A 24 -16.575 -2.778 7.134 1.00 0.00 O ATOM 0 H ASP A 24 -12.648 -1.179 5.153 1.00 0.00 H new ATOM 0 HA ASP A 24 -15.227 -1.133 4.047 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -14.139 -3.084 5.112 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -14.163 -2.271 6.664 1.00 0.00 H new ATOM 362 N ASP A 25 -14.785 0.761 6.638 1.00 0.00 N ATOM 363 CA ASP A 25 -15.369 1.816 7.463 1.00 0.00 C ATOM 364 C ASP A 25 -15.969 2.920 6.594 1.00 0.00 C ATOM 365 O ASP A 25 -16.913 3.602 6.996 1.00 0.00 O ATOM 366 CB ASP A 25 -14.278 2.405 8.366 1.00 0.00 C ATOM 367 CG ASP A 25 -14.726 3.636 9.128 1.00 0.00 C ATOM 368 OD1 ASP A 25 -14.676 4.745 8.557 1.00 0.00 O ATOM 369 OD2 ASP A 25 -15.109 3.504 10.309 1.00 0.00 O ATOM 0 H ASP A 25 -13.774 0.668 6.738 1.00 0.00 H new ATOM 0 HA ASP A 25 -16.168 1.388 8.069 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -13.956 1.644 9.077 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -13.411 2.660 7.757 1.00 0.00 H new ATOM 374 N GLY A 26 -15.434 3.066 5.394 1.00 0.00 N ATOM 375 CA GLY A 26 -15.812 4.165 4.535 1.00 0.00 C ATOM 376 C GLY A 26 -14.688 5.166 4.439 1.00 0.00 C ATOM 377 O GLY A 26 -14.606 5.944 3.487 1.00 0.00 O ATOM 0 H GLY A 26 -14.737 2.436 4.996 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -16.060 3.790 3.542 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -16.707 4.649 4.926 1.00 0.00 H new ATOM 381 N THR A 27 -13.817 5.126 5.437 1.00 0.00 N ATOM 382 CA THR A 27 -12.643 5.973 5.483 1.00 0.00 C ATOM 383 C THR A 27 -11.712 5.679 4.319 1.00 0.00 C ATOM 384 O THR A 27 -11.388 4.521 4.051 1.00 0.00 O ATOM 385 CB THR A 27 -11.892 5.776 6.817 1.00 0.00 C ATOM 386 OG1 THR A 27 -12.692 6.258 7.906 1.00 0.00 O ATOM 387 CG2 THR A 27 -10.539 6.478 6.818 1.00 0.00 C ATOM 0 H THR A 27 -13.909 4.502 6.238 1.00 0.00 H new ATOM 0 HA THR A 27 -12.973 7.009 5.407 1.00 0.00 H new ATOM 0 HB THR A 27 -11.711 4.708 6.938 1.00 0.00 H new ATOM 0 HG1 THR A 27 -13.447 5.650 8.052 1.00 0.00 H new ATOM 0 HG21 THR A 27 -10.044 6.314 7.775 1.00 0.00 H new ATOM 0 HG22 THR A 27 -9.920 6.076 6.016 1.00 0.00 H new ATOM 0 HG23 THR A 27 -10.684 7.547 6.663 1.00 0.00 H new ATOM 395 N LYS A 28 -11.304 6.721 3.611 1.00 0.00 N ATOM 396 CA LYS A 28 -10.330 6.558 2.557 1.00 0.00 C ATOM 397 C LYS A 28 -8.956 6.534 3.169 1.00 0.00 C ATOM 398 O LYS A 28 -8.656 7.284 4.098 1.00 0.00 O ATOM 399 CB LYS A 28 -10.383 7.681 1.524 1.00 0.00 C ATOM 400 CG LYS A 28 -11.773 8.181 1.217 1.00 0.00 C ATOM 401 CD LYS A 28 -11.725 9.377 0.289 1.00 0.00 C ATOM 402 CE LYS A 28 -12.872 10.343 0.547 1.00 0.00 C ATOM 403 NZ LYS A 28 -12.704 11.068 1.835 1.00 0.00 N ATOM 0 H LYS A 28 -11.632 7.677 3.749 1.00 0.00 H new ATOM 0 HA LYS A 28 -10.559 5.625 2.042 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -9.781 8.516 1.882 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -9.924 7.330 0.600 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -12.358 7.383 0.759 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -12.278 8.455 2.143 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -10.776 9.898 0.417 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -11.764 9.035 -0.745 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -12.932 11.062 -0.270 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -13.814 9.794 0.559 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -13.395 11.843 1.890 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -12.857 10.411 2.626 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -11.742 11.458 1.891 1.00 0.00 H new ATOM 417 N GLU A 29 -8.135 5.682 2.634 1.00 0.00 N ATOM 418 CA GLU A 29 -6.802 5.506 3.115 1.00 0.00 C ATOM 419 C GLU A 29 -5.806 5.702 2.009 1.00 0.00 C ATOM 420 O GLU A 29 -6.147 5.763 0.825 1.00 0.00 O ATOM 421 CB GLU A 29 -6.613 4.120 3.684 1.00 0.00 C ATOM 422 CG GLU A 29 -7.405 3.862 4.944 1.00 0.00 C ATOM 423 CD GLU A 29 -6.704 4.370 6.188 1.00 0.00 C ATOM 424 OE1 GLU A 29 -6.862 5.557 6.537 1.00 0.00 O ATOM 425 OE2 GLU A 29 -5.982 3.567 6.825 1.00 0.00 O ATOM 0 H GLU A 29 -8.376 5.084 1.843 1.00 0.00 H new ATOM 0 HA GLU A 29 -6.640 6.250 3.895 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -6.899 3.386 2.930 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -5.555 3.965 3.894 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -8.380 4.341 4.860 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -7.583 2.791 5.044 1.00 0.00 H new ATOM 432 N TRP A 30 -4.576 5.777 2.424 1.00 0.00 N ATOM 433 CA TRP A 30 -3.463 5.919 1.528 1.00 0.00 C ATOM 434 C TRP A 30 -2.243 5.336 2.195 1.00 0.00 C ATOM 435 O TRP A 30 -2.100 5.386 3.417 1.00 0.00 O ATOM 436 CB TRP A 30 -3.218 7.381 1.172 1.00 0.00 C ATOM 437 CG TRP A 30 -2.996 8.227 2.375 1.00 0.00 C ATOM 438 CD1 TRP A 30 -3.950 8.733 3.200 1.00 0.00 C ATOM 439 CD2 TRP A 30 -1.736 8.646 2.900 1.00 0.00 C ATOM 440 NE1 TRP A 30 -3.359 9.474 4.195 1.00 0.00 N ATOM 441 CE2 TRP A 30 -1.998 9.429 4.035 1.00 0.00 C ATOM 442 CE3 TRP A 30 -0.412 8.436 2.514 1.00 0.00 C ATOM 443 CZ2 TRP A 30 -0.981 10.005 4.786 1.00 0.00 C ATOM 444 CZ3 TRP A 30 0.596 9.006 3.259 1.00 0.00 C ATOM 445 CH2 TRP A 30 0.307 9.781 4.386 1.00 0.00 C ATOM 0 H TRP A 30 -4.312 5.741 3.409 1.00 0.00 H new ATOM 0 HA TRP A 30 -3.680 5.391 0.599 1.00 0.00 H new ATOM 0 HB2 TRP A 30 -2.351 7.452 0.516 1.00 0.00 H new ATOM 0 HB3 TRP A 30 -4.072 7.764 0.614 1.00 0.00 H new ATOM 0 HD1 TRP A 30 -5.013 8.576 3.090 1.00 0.00 H new ATOM 0 HE1 TRP A 30 -3.853 9.976 4.933 1.00 0.00 H new ATOM 0 HE3 TRP A 30 -0.182 7.837 1.646 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 -1.200 10.608 5.655 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 1.625 8.852 2.968 1.00 0.00 H new ATOM 0 HH2 TRP A 30 1.119 10.212 4.953 1.00 0.00 H new ATOM 456 N ARG A 31 -1.394 4.764 1.396 1.00 0.00 N ATOM 457 CA ARG A 31 -0.200 4.118 1.871 1.00 0.00 C ATOM 458 C ARG A 31 0.907 4.432 0.933 1.00 0.00 C ATOM 459 O ARG A 31 0.685 4.990 -0.136 1.00 0.00 O ATOM 460 CB ARG A 31 -0.386 2.614 1.998 1.00 0.00 C ATOM 461 CG ARG A 31 -1.519 2.266 2.922 1.00 0.00 C ATOM 462 CD ARG A 31 -1.816 0.794 2.925 1.00 0.00 C ATOM 463 NE ARG A 31 -2.966 0.480 3.763 1.00 0.00 N ATOM 464 CZ ARG A 31 -3.734 -0.576 3.561 1.00 0.00 C ATOM 465 NH1 ARG A 31 -3.448 -1.403 2.569 1.00 0.00 N ATOM 466 NH2 ARG A 31 -4.787 -0.802 4.333 1.00 0.00 N ATOM 0 H ARG A 31 -1.509 4.730 0.383 1.00 0.00 H new ATOM 0 HA ARG A 31 0.035 4.491 2.868 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -0.576 2.187 1.013 1.00 0.00 H new ATOM 0 HB3 ARG A 31 0.535 2.164 2.368 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -1.272 2.587 3.934 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -2.412 2.815 2.622 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -2.006 0.459 1.905 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -0.944 0.247 3.283 1.00 0.00 H new ATOM 0 HE ARG A 31 -3.188 1.103 4.540 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -2.642 -1.222 1.970 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -4.033 -2.222 2.403 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -5.011 -0.158 5.091 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -5.374 -1.620 4.169 1.00 0.00 H new ATOM 480 N CYS A 32 2.081 4.050 1.301 1.00 0.00 N ATOM 481 CA CYS A 32 3.236 4.434 0.557 1.00 0.00 C ATOM 482 C CYS A 32 3.662 3.223 -0.195 1.00 0.00 C ATOM 483 O CYS A 32 3.734 2.133 0.356 1.00 0.00 O ATOM 484 CB CYS A 32 4.350 4.870 1.494 1.00 0.00 C ATOM 485 SG CYS A 32 3.768 5.656 3.016 1.00 0.00 S ATOM 0 H CYS A 32 2.270 3.468 2.117 1.00 0.00 H new ATOM 0 HA CYS A 32 3.016 5.270 -0.107 1.00 0.00 H new ATOM 0 HB2 CYS A 32 4.953 4.000 1.754 1.00 0.00 H new ATOM 0 HB3 CYS A 32 5.004 5.564 0.966 1.00 0.00 H new ATOM 0 HG CYS A 32 4.706 5.608 3.915 1.00 0.00 H new ATOM 491 N LEU A 33 3.830 3.450 -1.480 1.00 0.00 N ATOM 492 CA LEU A 33 4.089 2.414 -2.467 1.00 0.00 C ATOM 493 C LEU A 33 5.147 1.409 -2.028 1.00 0.00 C ATOM 494 O LEU A 33 5.807 1.583 -1.017 1.00 0.00 O ATOM 495 CB LEU A 33 4.489 3.094 -3.766 1.00 0.00 C ATOM 496 CG LEU A 33 3.435 3.032 -4.866 1.00 0.00 C ATOM 497 CD1 LEU A 33 2.030 3.071 -4.273 1.00 0.00 C ATOM 498 CD2 LEU A 33 3.626 4.194 -5.818 1.00 0.00 C ATOM 0 H LEU A 33 3.790 4.386 -1.882 1.00 0.00 H new ATOM 0 HA LEU A 33 3.178 1.829 -2.598 1.00 0.00 H new ATOM 0 HB2 LEU A 33 4.717 4.139 -3.558 1.00 0.00 H new ATOM 0 HB3 LEU A 33 5.406 2.634 -4.134 1.00 0.00 H new ATOM 0 HG LEU A 33 3.552 2.094 -5.408 1.00 0.00 H new ATOM 0 HD11 LEU A 33 1.295 3.026 -5.076 1.00 0.00 H new ATOM 0 HD12 LEU A 33 1.893 2.219 -3.607 1.00 0.00 H new ATOM 0 HD13 LEU A 33 1.898 3.996 -3.712 1.00 0.00 H new ATOM 0 HD21 LEU A 33 2.872 4.148 -6.604 1.00 0.00 H new ATOM 0 HD22 LEU A 33 3.525 5.132 -5.272 1.00 0.00 H new ATOM 0 HD23 LEU A 33 4.619 4.139 -6.264 1.00 0.00 H new ATOM 510 N LEU A 34 5.306 0.358 -2.806 1.00 0.00 N ATOM 511 CA LEU A 34 6.205 -0.718 -2.440 1.00 0.00 C ATOM 512 C LEU A 34 7.629 -0.217 -2.275 1.00 0.00 C ATOM 513 O LEU A 34 8.270 0.213 -3.234 1.00 0.00 O ATOM 514 CB LEU A 34 6.140 -1.830 -3.474 1.00 0.00 C ATOM 515 CG LEU A 34 4.765 -2.461 -3.624 1.00 0.00 C ATOM 516 CD1 LEU A 34 4.832 -3.626 -4.576 1.00 0.00 C ATOM 517 CD2 LEU A 34 4.227 -2.900 -2.275 1.00 0.00 C ATOM 0 H LEU A 34 4.825 0.226 -3.696 1.00 0.00 H new ATOM 0 HA LEU A 34 5.884 -1.116 -1.477 1.00 0.00 H new ATOM 0 HB2 LEU A 34 6.452 -1.432 -4.440 1.00 0.00 H new ATOM 0 HB3 LEU A 34 6.856 -2.606 -3.203 1.00 0.00 H new ATOM 0 HG LEU A 34 4.082 -1.716 -4.033 1.00 0.00 H new ATOM 0 HD11 LEU A 34 3.842 -4.071 -4.677 1.00 0.00 H new ATOM 0 HD12 LEU A 34 5.175 -3.280 -5.551 1.00 0.00 H new ATOM 0 HD13 LEU A 34 5.527 -4.371 -4.190 1.00 0.00 H new ATOM 0 HD21 LEU A 34 3.242 -3.349 -2.405 1.00 0.00 H new ATOM 0 HD22 LEU A 34 4.904 -3.632 -1.834 1.00 0.00 H new ATOM 0 HD23 LEU A 34 4.148 -2.035 -1.616 1.00 0.00 H new ATOM 529 N GLY A 35 8.101 -0.264 -1.038 1.00 0.00 N ATOM 530 CA GLY A 35 9.425 0.227 -0.719 1.00 0.00 C ATOM 531 C GLY A 35 9.444 1.710 -0.399 1.00 0.00 C ATOM 532 O GLY A 35 10.500 2.300 -0.227 1.00 0.00 O ATOM 0 H GLY A 35 7.584 -0.638 -0.242 1.00 0.00 H new ATOM 0 HA2 GLY A 35 9.817 -0.328 0.133 1.00 0.00 H new ATOM 0 HA3 GLY A 35 10.091 0.033 -1.560 1.00 0.00 H new ATOM 536 N TYR A 36 8.273 2.313 -0.341 1.00 0.00 N ATOM 537 CA TYR A 36 8.134 3.721 -0.018 1.00 0.00 C ATOM 538 C TYR A 36 7.853 3.942 1.472 1.00 0.00 C ATOM 539 O TYR A 36 7.708 2.989 2.241 1.00 0.00 O ATOM 540 CB TYR A 36 6.998 4.317 -0.841 1.00 0.00 C ATOM 541 CG TYR A 36 7.306 4.481 -2.311 1.00 0.00 C ATOM 542 CD1 TYR A 36 7.722 3.413 -3.095 1.00 0.00 C ATOM 543 CD2 TYR A 36 7.184 5.717 -2.907 1.00 0.00 C ATOM 544 CE1 TYR A 36 8.003 3.582 -4.437 1.00 0.00 C ATOM 545 CE2 TYR A 36 7.463 5.902 -4.238 1.00 0.00 C ATOM 546 CZ TYR A 36 7.871 4.831 -5.007 1.00 0.00 C ATOM 547 OH TYR A 36 8.149 5.007 -6.343 1.00 0.00 O ATOM 0 H TYR A 36 7.387 1.839 -0.517 1.00 0.00 H new ATOM 0 HA TYR A 36 9.077 4.213 -0.256 1.00 0.00 H new ATOM 0 HB2 TYR A 36 6.119 3.682 -0.736 1.00 0.00 H new ATOM 0 HB3 TYR A 36 6.739 5.291 -0.427 1.00 0.00 H new ATOM 0 HD1 TYR A 36 7.827 2.435 -2.649 1.00 0.00 H new ATOM 0 HD2 TYR A 36 6.861 6.560 -2.313 1.00 0.00 H new ATOM 0 HE1 TYR A 36 8.324 2.742 -5.035 1.00 0.00 H new ATOM 0 HE2 TYR A 36 7.364 6.882 -4.682 1.00 0.00 H new ATOM 0 HH TYR A 36 8.005 5.945 -6.586 1.00 0.00 H new ATOM 557 N LYS A 37 7.767 5.213 1.856 1.00 0.00 N ATOM 558 CA LYS A 37 7.502 5.614 3.239 1.00 0.00 C ATOM 559 C LYS A 37 7.014 7.056 3.232 1.00 0.00 C ATOM 560 O LYS A 37 7.128 7.720 2.207 1.00 0.00 O ATOM 561 CB LYS A 37 8.784 5.531 4.071 1.00 0.00 C ATOM 562 CG LYS A 37 9.742 6.690 3.820 1.00 0.00 C ATOM 563 CD LYS A 37 11.003 6.572 4.657 1.00 0.00 C ATOM 564 CE LYS A 37 11.729 7.902 4.769 1.00 0.00 C ATOM 565 NZ LYS A 37 12.915 7.813 5.661 1.00 0.00 N ATOM 0 H LYS A 37 7.879 5.999 1.215 1.00 0.00 H new ATOM 0 HA LYS A 37 6.754 4.951 3.674 1.00 0.00 H new ATOM 0 HB2 LYS A 37 8.522 5.508 5.129 1.00 0.00 H new ATOM 0 HB3 LYS A 37 9.293 4.593 3.849 1.00 0.00 H new ATOM 0 HG2 LYS A 37 10.009 6.719 2.764 1.00 0.00 H new ATOM 0 HG3 LYS A 37 9.241 7.631 4.048 1.00 0.00 H new ATOM 0 HD2 LYS A 37 10.746 6.212 5.653 1.00 0.00 H new ATOM 0 HD3 LYS A 37 11.667 5.831 4.212 1.00 0.00 H new ATOM 0 HE2 LYS A 37 12.044 8.228 3.778 1.00 0.00 H new ATOM 0 HE3 LYS A 37 11.044 8.659 5.151 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 13.382 8.741 5.711 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 12.612 7.526 6.614 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 13.581 7.109 5.283 1.00 0.00 H new ATOM 579 N LYS A 38 6.469 7.553 4.336 1.00 0.00 N ATOM 580 CA LYS A 38 6.191 8.971 4.427 1.00 0.00 C ATOM 581 C LYS A 38 7.461 9.773 4.520 1.00 0.00 C ATOM 582 O LYS A 38 8.346 9.498 5.333 1.00 0.00 O ATOM 583 CB LYS A 38 5.271 9.309 5.558 1.00 0.00 C ATOM 584 CG LYS A 38 3.873 8.934 5.186 1.00 0.00 C ATOM 585 CD LYS A 38 3.147 8.215 6.278 1.00 0.00 C ATOM 586 CE LYS A 38 2.819 9.130 7.444 1.00 0.00 C ATOM 587 NZ LYS A 38 2.237 8.387 8.594 1.00 0.00 N ATOM 0 H LYS A 38 6.218 7.006 5.160 1.00 0.00 H new ATOM 0 HA LYS A 38 5.676 9.241 3.505 1.00 0.00 H new ATOM 0 HB2 LYS A 38 5.575 8.778 6.460 1.00 0.00 H new ATOM 0 HB3 LYS A 38 5.327 10.374 5.781 1.00 0.00 H new ATOM 0 HG2 LYS A 38 3.320 9.835 4.922 1.00 0.00 H new ATOM 0 HG3 LYS A 38 3.897 8.303 4.297 1.00 0.00 H new ATOM 0 HD2 LYS A 38 2.225 7.790 5.881 1.00 0.00 H new ATOM 0 HD3 LYS A 38 3.756 7.383 6.631 1.00 0.00 H new ATOM 0 HE2 LYS A 38 3.725 9.644 7.766 1.00 0.00 H new ATOM 0 HE3 LYS A 38 2.117 9.897 7.116 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 2.029 9.051 9.367 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 1.359 7.917 8.295 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 2.916 7.673 8.925 1.00 0.00 H new ATOM 601 N GLY A 39 7.525 10.765 3.678 1.00 0.00 N ATOM 602 CA GLY A 39 8.727 11.551 3.534 1.00 0.00 C ATOM 603 C GLY A 39 8.466 13.016 3.723 1.00 0.00 C ATOM 604 O GLY A 39 9.036 13.652 4.607 1.00 0.00 O ATOM 0 H GLY A 39 6.755 11.054 3.075 1.00 0.00 H new ATOM 0 HA2 GLY A 39 9.467 11.218 4.261 1.00 0.00 H new ATOM 0 HA3 GLY A 39 9.154 11.383 2.545 1.00 0.00 H new ATOM 608 N GLU A 40 7.585 13.542 2.894 1.00 0.00 N ATOM 609 CA GLU A 40 7.244 14.942 2.926 1.00 0.00 C ATOM 610 C GLU A 40 6.078 15.215 3.881 1.00 0.00 C ATOM 611 O GLU A 40 5.397 16.234 3.776 1.00 0.00 O ATOM 612 CB GLU A 40 6.947 15.425 1.503 1.00 0.00 C ATOM 613 CG GLU A 40 6.428 14.348 0.552 1.00 0.00 C ATOM 614 CD GLU A 40 6.448 14.811 -0.891 1.00 0.00 C ATOM 615 OE1 GLU A 40 7.492 14.664 -1.559 1.00 0.00 O ATOM 616 OE2 GLU A 40 5.426 15.344 -1.360 1.00 0.00 O ATOM 0 H GLU A 40 7.088 13.007 2.182 1.00 0.00 H new ATOM 0 HA GLU A 40 8.093 15.506 3.313 1.00 0.00 H new ATOM 0 HB2 GLU A 40 6.212 16.229 1.554 1.00 0.00 H new ATOM 0 HB3 GLU A 40 7.858 15.852 1.083 1.00 0.00 H new ATOM 0 HG2 GLU A 40 7.037 13.450 0.654 1.00 0.00 H new ATOM 0 HG3 GLU A 40 5.410 14.076 0.832 1.00 0.00 H new ATOM 623 N GLY A 41 5.881 14.291 4.825 1.00 0.00 N ATOM 624 CA GLY A 41 4.878 14.452 5.869 1.00 0.00 C ATOM 625 C GLY A 41 3.454 14.311 5.372 1.00 0.00 C ATOM 626 O GLY A 41 2.923 15.208 4.718 1.00 0.00 O ATOM 0 H GLY A 41 6.409 13.420 4.883 1.00 0.00 H new ATOM 0 HA2 GLY A 41 5.056 13.712 6.649 1.00 0.00 H new ATOM 0 HA3 GLY A 41 4.998 15.434 6.328 1.00 0.00 H new ATOM 630 N ASN A 42 2.823 13.196 5.744 1.00 0.00 N ATOM 631 CA ASN A 42 1.543 12.792 5.171 1.00 0.00 C ATOM 632 C ASN A 42 1.655 12.778 3.662 1.00 0.00 C ATOM 633 O ASN A 42 0.794 13.280 2.941 1.00 0.00 O ATOM 634 CB ASN A 42 0.399 13.695 5.633 1.00 0.00 C ATOM 635 CG ASN A 42 -0.120 13.312 7.004 1.00 0.00 C ATOM 636 OD1 ASN A 42 0.613 12.769 7.828 1.00 0.00 O ATOM 637 ND2 ASN A 42 -1.388 13.592 7.261 1.00 0.00 N ATOM 0 H ASN A 42 3.185 12.552 6.448 1.00 0.00 H new ATOM 0 HA ASN A 42 1.306 11.789 5.525 1.00 0.00 H new ATOM 0 HB2 ASN A 42 0.741 14.730 5.653 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -0.416 13.643 4.911 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -1.788 13.356 8.169 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -1.965 14.043 6.551 1.00 0.00 H new ATOM 644 N THR A 43 2.765 12.221 3.213 1.00 0.00 N ATOM 645 CA THR A 43 3.084 12.073 1.809 1.00 0.00 C ATOM 646 C THR A 43 4.136 10.994 1.682 1.00 0.00 C ATOM 647 O THR A 43 4.924 10.799 2.606 1.00 0.00 O ATOM 648 CB THR A 43 3.650 13.361 1.214 1.00 0.00 C ATOM 649 OG1 THR A 43 3.533 14.445 2.136 1.00 0.00 O ATOM 650 CG2 THR A 43 2.947 13.719 -0.073 1.00 0.00 C ATOM 0 H THR A 43 3.486 11.851 3.832 1.00 0.00 H new ATOM 0 HA THR A 43 2.169 11.822 1.272 1.00 0.00 H new ATOM 0 HB THR A 43 4.705 13.185 1.004 1.00 0.00 H new ATOM 0 HG1 THR A 43 3.753 15.285 1.682 1.00 0.00 H new ATOM 0 HG21 THR A 43 3.370 14.640 -0.475 1.00 0.00 H new ATOM 0 HG22 THR A 43 3.079 12.914 -0.796 1.00 0.00 H new ATOM 0 HG23 THR A 43 1.884 13.862 0.121 1.00 0.00 H new ATOM 658 N CYS A 44 4.182 10.313 0.559 1.00 0.00 N ATOM 659 CA CYS A 44 5.063 9.176 0.426 1.00 0.00 C ATOM 660 C CYS A 44 6.248 9.508 -0.463 1.00 0.00 C ATOM 661 O CYS A 44 6.179 10.408 -1.291 1.00 0.00 O ATOM 662 CB CYS A 44 4.281 7.993 -0.119 1.00 0.00 C ATOM 663 SG CYS A 44 2.750 7.683 0.789 1.00 0.00 S ATOM 0 H CYS A 44 3.625 10.524 -0.269 1.00 0.00 H new ATOM 0 HA CYS A 44 5.459 8.915 1.407 1.00 0.00 H new ATOM 0 HB2 CYS A 44 4.045 8.172 -1.168 1.00 0.00 H new ATOM 0 HB3 CYS A 44 4.907 7.102 -0.081 1.00 0.00 H new ATOM 0 HG CYS A 44 2.999 6.920 1.812 1.00 0.00 H new ATOM 669 N VAL A 45 7.338 8.797 -0.241 1.00 0.00 N ATOM 670 CA VAL A 45 8.570 8.958 -0.986 1.00 0.00 C ATOM 671 C VAL A 45 9.287 7.623 -1.064 1.00 0.00 C ATOM 672 O VAL A 45 8.929 6.680 -0.358 1.00 0.00 O ATOM 673 CB VAL A 45 9.528 9.960 -0.316 1.00 0.00 C ATOM 674 CG1 VAL A 45 8.985 11.383 -0.378 1.00 0.00 C ATOM 675 CG2 VAL A 45 9.807 9.549 1.125 1.00 0.00 C ATOM 0 H VAL A 45 7.391 8.076 0.478 1.00 0.00 H new ATOM 0 HA VAL A 45 8.301 9.332 -1.974 1.00 0.00 H new ATOM 0 HB VAL A 45 10.467 9.945 -0.870 1.00 0.00 H new ATOM 0 HG11 VAL A 45 9.688 12.062 0.105 1.00 0.00 H new ATOM 0 HG12 VAL A 45 8.853 11.677 -1.419 1.00 0.00 H new ATOM 0 HG13 VAL A 45 8.025 11.429 0.136 1.00 0.00 H new ATOM 0 HG21 VAL A 45 10.486 10.268 1.584 1.00 0.00 H new ATOM 0 HG22 VAL A 45 8.872 9.525 1.684 1.00 0.00 H new ATOM 0 HG23 VAL A 45 10.263 8.559 1.139 1.00 0.00 H new ATOM 685 N GLU A 46 10.310 7.563 -1.897 1.00 0.00 N ATOM 686 CA GLU A 46 11.095 6.354 -2.074 1.00 0.00 C ATOM 687 C GLU A 46 11.968 6.076 -0.858 1.00 0.00 C ATOM 688 O GLU A 46 13.048 6.647 -0.709 1.00 0.00 O ATOM 689 CB GLU A 46 11.967 6.490 -3.320 1.00 0.00 C ATOM 690 CG GLU A 46 11.547 5.604 -4.477 1.00 0.00 C ATOM 691 CD GLU A 46 12.393 5.847 -5.712 1.00 0.00 C ATOM 692 OE1 GLU A 46 12.027 6.726 -6.523 1.00 0.00 O ATOM 693 OE2 GLU A 46 13.440 5.182 -5.866 1.00 0.00 O ATOM 0 H GLU A 46 10.620 8.349 -2.469 1.00 0.00 H new ATOM 0 HA GLU A 46 10.409 5.515 -2.193 1.00 0.00 H new ATOM 0 HB2 GLU A 46 11.950 7.529 -3.649 1.00 0.00 H new ATOM 0 HB3 GLU A 46 12.998 6.256 -3.055 1.00 0.00 H new ATOM 0 HG2 GLU A 46 11.628 4.558 -4.181 1.00 0.00 H new ATOM 0 HG3 GLU A 46 10.499 5.788 -4.713 1.00 0.00 H new ATOM 700 N ASN A 47 11.483 5.196 0.000 1.00 0.00 N ATOM 701 CA ASN A 47 12.228 4.746 1.173 1.00 0.00 C ATOM 702 C ASN A 47 13.306 3.760 0.752 1.00 0.00 C ATOM 703 O ASN A 47 13.033 2.587 0.522 1.00 0.00 O ATOM 704 CB ASN A 47 11.286 4.085 2.175 1.00 0.00 C ATOM 705 CG ASN A 47 12.003 3.585 3.415 1.00 0.00 C ATOM 706 OD1 ASN A 47 13.059 4.092 3.790 1.00 0.00 O ATOM 707 ND2 ASN A 47 11.423 2.596 4.071 1.00 0.00 N ATOM 0 H ASN A 47 10.561 4.770 -0.093 1.00 0.00 H new ATOM 0 HA ASN A 47 12.695 5.610 1.646 1.00 0.00 H new ATOM 0 HB2 ASN A 47 10.517 4.799 2.469 1.00 0.00 H new ATOM 0 HB3 ASN A 47 10.778 3.250 1.693 1.00 0.00 H new ATOM 0 HD21 ASN A 47 11.851 2.227 4.920 1.00 0.00 H new ATOM 0 HD22 ASN A 47 10.547 2.201 3.728 1.00 0.00 H new ATOM 714 N ASN A 48 14.535 4.226 0.664 1.00 0.00 N ATOM 715 CA ASN A 48 15.611 3.428 0.087 1.00 0.00 C ATOM 716 C ASN A 48 16.126 2.355 1.048 1.00 0.00 C ATOM 717 O ASN A 48 17.241 1.864 0.905 1.00 0.00 O ATOM 718 CB ASN A 48 16.744 4.340 -0.371 1.00 0.00 C ATOM 719 CG ASN A 48 16.888 4.362 -1.877 1.00 0.00 C ATOM 720 OD1 ASN A 48 17.617 3.558 -2.454 1.00 0.00 O ATOM 721 ND2 ASN A 48 16.190 5.291 -2.520 1.00 0.00 N ATOM 0 H ASN A 48 14.819 5.152 0.983 1.00 0.00 H new ATOM 0 HA ASN A 48 15.204 2.899 -0.775 1.00 0.00 H new ATOM 0 HB2 ASN A 48 16.561 5.352 -0.011 1.00 0.00 H new ATOM 0 HB3 ASN A 48 17.680 4.006 0.077 1.00 0.00 H new ATOM 0 HD21 ASN A 48 16.246 5.359 -3.536 1.00 0.00 H new ATOM 0 HD22 ASN A 48 15.598 5.937 -1.998 1.00 0.00 H new ATOM 728 N ASN A 49 15.281 1.961 1.990 1.00 0.00 N ATOM 729 CA ASN A 49 15.607 0.926 2.958 1.00 0.00 C ATOM 730 C ASN A 49 14.311 0.379 3.558 1.00 0.00 C ATOM 731 O ASN A 49 14.042 0.552 4.745 1.00 0.00 O ATOM 732 CB ASN A 49 16.497 1.509 4.054 1.00 0.00 C ATOM 733 CG ASN A 49 17.045 0.468 5.006 1.00 0.00 C ATOM 734 OD1 ASN A 49 17.180 0.722 6.202 1.00 0.00 O ATOM 735 ND2 ASN A 49 17.390 -0.697 4.490 1.00 0.00 N ATOM 0 H ASN A 49 14.346 2.353 2.104 1.00 0.00 H new ATOM 0 HA ASN A 49 16.146 0.115 2.468 1.00 0.00 H new ATOM 0 HB2 ASN A 49 17.329 2.040 3.591 1.00 0.00 H new ATOM 0 HB3 ASN A 49 15.926 2.244 4.622 1.00 0.00 H new ATOM 0 HD21 ASN A 49 17.784 -1.423 5.088 1.00 0.00 H new ATOM 0 HD22 ASN A 49 17.263 -0.871 3.493 1.00 0.00 H new ATOM 742 N PRO A 50 13.484 -0.285 2.738 1.00 0.00 N ATOM 743 CA PRO A 50 12.157 -0.712 3.143 1.00 0.00 C ATOM 744 C PRO A 50 12.172 -2.019 3.920 1.00 0.00 C ATOM 745 O PRO A 50 12.810 -2.984 3.513 1.00 0.00 O ATOM 746 CB PRO A 50 11.409 -0.880 1.818 1.00 0.00 C ATOM 747 CG PRO A 50 12.433 -0.850 0.728 1.00 0.00 C ATOM 748 CD PRO A 50 13.780 -0.706 1.369 1.00 0.00 C ATOM 0 HA PRO A 50 11.693 0.007 3.818 1.00 0.00 H new ATOM 0 HB2 PRO A 50 10.858 -1.820 1.803 1.00 0.00 H new ATOM 0 HB3 PRO A 50 10.680 -0.081 1.683 1.00 0.00 H new ATOM 0 HG2 PRO A 50 12.387 -1.764 0.136 1.00 0.00 H new ATOM 0 HG3 PRO A 50 12.243 -0.020 0.048 1.00 0.00 H new ATOM 0 HD2 PRO A 50 14.331 -1.646 1.352 1.00 0.00 H new ATOM 0 HD3 PRO A 50 14.391 0.032 0.849 1.00 0.00 H new ATOM 756 N THR A 51 11.492 -2.019 5.053 1.00 0.00 N ATOM 757 CA THR A 51 11.364 -3.201 5.883 1.00 0.00 C ATOM 758 C THR A 51 9.888 -3.533 6.077 1.00 0.00 C ATOM 759 O THR A 51 9.042 -2.640 6.046 1.00 0.00 O ATOM 760 CB THR A 51 12.047 -3.006 7.256 1.00 0.00 C ATOM 761 OG1 THR A 51 12.024 -4.230 8.000 1.00 0.00 O ATOM 762 CG2 THR A 51 11.364 -1.910 8.063 1.00 0.00 C ATOM 0 H THR A 51 11.013 -1.198 5.423 1.00 0.00 H new ATOM 0 HA THR A 51 11.864 -4.027 5.377 1.00 0.00 H new ATOM 0 HB THR A 51 13.080 -2.709 7.072 1.00 0.00 H new ATOM 0 HG1 THR A 51 11.112 -4.404 8.315 1.00 0.00 H new ATOM 0 HG21 THR A 51 11.868 -1.797 9.023 1.00 0.00 H new ATOM 0 HG22 THR A 51 11.414 -0.969 7.514 1.00 0.00 H new ATOM 0 HG23 THR A 51 10.321 -2.178 8.230 1.00 0.00 H new ATOM 770 N CYS A 52 9.575 -4.806 6.263 1.00 0.00 N ATOM 771 CA CYS A 52 8.209 -5.202 6.567 1.00 0.00 C ATOM 772 C CYS A 52 7.965 -4.996 8.062 1.00 0.00 C ATOM 773 O CYS A 52 8.907 -4.697 8.797 1.00 0.00 O ATOM 774 CB CYS A 52 7.966 -6.662 6.146 1.00 0.00 C ATOM 775 SG CYS A 52 6.339 -7.323 6.585 1.00 0.00 S ATOM 0 H CYS A 52 10.242 -5.576 6.209 1.00 0.00 H new ATOM 0 HA CYS A 52 7.505 -4.588 6.006 1.00 0.00 H new ATOM 0 HB2 CYS A 52 8.094 -6.739 5.066 1.00 0.00 H new ATOM 0 HB3 CYS A 52 8.732 -7.289 6.603 1.00 0.00 H new ATOM 0 HG CYS A 52 5.412 -6.531 6.133 1.00 0.00 H new ATOM 781 N ASP A 53 6.701 -5.121 8.489 1.00 0.00 N ATOM 782 CA ASP A 53 6.255 -4.768 9.853 1.00 0.00 C ATOM 783 C ASP A 53 6.011 -3.273 9.967 1.00 0.00 C ATOM 784 O ASP A 53 5.045 -2.835 10.590 1.00 0.00 O ATOM 785 CB ASP A 53 7.239 -5.218 10.942 1.00 0.00 C ATOM 786 CG ASP A 53 7.167 -6.707 11.203 1.00 0.00 C ATOM 787 OD1 ASP A 53 6.253 -7.143 11.935 1.00 0.00 O ATOM 788 OD2 ASP A 53 8.009 -7.453 10.662 1.00 0.00 O ATOM 0 H ASP A 53 5.949 -5.473 7.896 1.00 0.00 H new ATOM 0 HA ASP A 53 5.322 -5.307 10.018 1.00 0.00 H new ATOM 0 HB2 ASP A 53 8.253 -4.952 10.644 1.00 0.00 H new ATOM 0 HB3 ASP A 53 7.027 -4.679 11.865 1.00 0.00 H new ATOM 793 N ILE A 54 6.875 -2.499 9.338 1.00 0.00 N ATOM 794 CA ILE A 54 6.747 -1.053 9.322 1.00 0.00 C ATOM 795 C ILE A 54 6.248 -0.616 7.970 1.00 0.00 C ATOM 796 O ILE A 54 6.989 -0.651 6.983 1.00 0.00 O ATOM 797 CB ILE A 54 8.090 -0.378 9.653 1.00 0.00 C ATOM 798 CG1 ILE A 54 8.580 -0.879 11.018 1.00 0.00 C ATOM 799 CG2 ILE A 54 7.938 1.139 9.641 1.00 0.00 C ATOM 800 CD1 ILE A 54 9.988 -0.456 11.369 1.00 0.00 C ATOM 0 H ILE A 54 7.683 -2.853 8.825 1.00 0.00 H new ATOM 0 HA ILE A 54 6.031 -0.749 10.086 1.00 0.00 H new ATOM 0 HB ILE A 54 8.831 -0.639 8.897 1.00 0.00 H new ATOM 0 HG12 ILE A 54 7.901 -0.516 11.790 1.00 0.00 H new ATOM 0 HG13 ILE A 54 8.526 -1.968 11.033 1.00 0.00 H new ATOM 0 HG21 ILE A 54 8.896 1.603 9.877 1.00 0.00 H new ATOM 0 HG22 ILE A 54 7.611 1.464 8.653 1.00 0.00 H new ATOM 0 HG23 ILE A 54 7.198 1.436 10.384 1.00 0.00 H new ATOM 0 HD11 ILE A 54 10.254 -0.853 12.349 1.00 0.00 H new ATOM 0 HD12 ILE A 54 10.681 -0.842 10.621 1.00 0.00 H new ATOM 0 HD13 ILE A 54 10.046 0.632 11.390 1.00 0.00 H new ATOM 812 N ASN A 55 4.963 -0.269 7.925 1.00 0.00 N ATOM 813 CA ASN A 55 4.291 0.096 6.683 1.00 0.00 C ATOM 814 C ASN A 55 4.186 -1.128 5.782 1.00 0.00 C ATOM 815 O ASN A 55 3.788 -1.036 4.622 1.00 0.00 O ATOM 816 CB ASN A 55 5.057 1.222 5.987 1.00 0.00 C ATOM 817 CG ASN A 55 4.287 1.852 4.842 1.00 0.00 C ATOM 818 OD1 ASN A 55 3.055 1.873 4.835 1.00 0.00 O ATOM 819 ND2 ASN A 55 5.012 2.371 3.866 1.00 0.00 N ATOM 0 H ASN A 55 4.361 -0.234 8.748 1.00 0.00 H new ATOM 0 HA ASN A 55 3.285 0.454 6.903 1.00 0.00 H new ATOM 0 HB2 ASN A 55 5.302 1.992 6.719 1.00 0.00 H new ATOM 0 HB3 ASN A 55 6.001 0.830 5.609 1.00 0.00 H new ATOM 0 HD21 ASN A 55 4.553 2.810 3.068 1.00 0.00 H new ATOM 0 HD22 ASN A 55 6.030 2.332 3.911 1.00 0.00 H new ATOM 826 N ASN A 56 4.544 -2.279 6.351 1.00 0.00 N ATOM 827 CA ASN A 56 4.589 -3.546 5.630 1.00 0.00 C ATOM 828 C ASN A 56 5.534 -3.431 4.430 1.00 0.00 C ATOM 829 O ASN A 56 5.344 -4.088 3.417 1.00 0.00 O ATOM 830 CB ASN A 56 3.181 -3.946 5.166 1.00 0.00 C ATOM 831 CG ASN A 56 2.996 -5.447 5.036 1.00 0.00 C ATOM 832 OD1 ASN A 56 3.578 -6.224 5.792 1.00 0.00 O ATOM 833 ND2 ASN A 56 2.202 -5.865 4.058 1.00 0.00 N ATOM 0 H ASN A 56 4.812 -2.356 7.332 1.00 0.00 H new ATOM 0 HA ASN A 56 4.964 -4.320 6.300 1.00 0.00 H new ATOM 0 HB2 ASN A 56 2.449 -3.556 5.873 1.00 0.00 H new ATOM 0 HB3 ASN A 56 2.976 -3.477 4.204 1.00 0.00 H new ATOM 0 HD21 ASN A 56 2.056 -6.864 3.911 1.00 0.00 H new ATOM 0 HD22 ASN A 56 1.738 -5.187 3.453 1.00 0.00 H new ATOM 840 N GLY A 57 6.555 -2.582 4.556 1.00 0.00 N ATOM 841 CA GLY A 57 7.459 -2.318 3.448 1.00 0.00 C ATOM 842 C GLY A 57 6.760 -1.620 2.302 1.00 0.00 C ATOM 843 O GLY A 57 7.180 -1.715 1.152 1.00 0.00 O ATOM 0 H GLY A 57 6.772 -2.070 5.411 1.00 0.00 H new ATOM 0 HA2 GLY A 57 8.289 -1.703 3.796 1.00 0.00 H new ATOM 0 HA3 GLY A 57 7.885 -3.257 3.095 1.00 0.00 H new ATOM 847 N GLY A 58 5.686 -0.919 2.629 1.00 0.00 N ATOM 848 CA GLY A 58 4.900 -0.244 1.626 1.00 0.00 C ATOM 849 C GLY A 58 3.847 -1.161 1.042 1.00 0.00 C ATOM 850 O GLY A 58 3.383 -0.961 -0.073 1.00 0.00 O ATOM 0 H GLY A 58 5.344 -0.807 3.583 1.00 0.00 H new ATOM 0 HA2 GLY A 58 4.420 0.631 2.065 1.00 0.00 H new ATOM 0 HA3 GLY A 58 5.553 0.116 0.831 1.00 0.00 H new ATOM 854 N CYS A 59 3.481 -2.174 1.811 1.00 0.00 N ATOM 855 CA CYS A 59 2.525 -3.187 1.382 1.00 0.00 C ATOM 856 C CYS A 59 1.244 -3.113 2.212 1.00 0.00 C ATOM 857 O CYS A 59 1.129 -2.301 3.131 1.00 0.00 O ATOM 858 CB CYS A 59 3.147 -4.582 1.479 1.00 0.00 C ATOM 859 SG CYS A 59 4.554 -4.828 0.380 1.00 0.00 S ATOM 0 H CYS A 59 3.839 -2.319 2.755 1.00 0.00 H new ATOM 0 HA CYS A 59 2.266 -2.993 0.341 1.00 0.00 H new ATOM 0 HB2 CYS A 59 3.465 -4.757 2.507 1.00 0.00 H new ATOM 0 HB3 CYS A 59 2.384 -5.327 1.250 1.00 0.00 H new ATOM 0 HG CYS A 59 5.163 -3.695 0.194 1.00 0.00 H new ATOM 865 N ASP A 60 0.295 -3.976 1.885 1.00 0.00 N ATOM 866 CA ASP A 60 -0.997 -4.018 2.567 1.00 0.00 C ATOM 867 C ASP A 60 -0.954 -5.103 3.625 1.00 0.00 C ATOM 868 O ASP A 60 -0.385 -6.159 3.404 1.00 0.00 O ATOM 869 CB ASP A 60 -2.104 -4.353 1.548 1.00 0.00 C ATOM 870 CG ASP A 60 -3.489 -4.514 2.166 1.00 0.00 C ATOM 871 OD1 ASP A 60 -3.707 -5.491 2.900 1.00 0.00 O ATOM 872 OD2 ASP A 60 -4.370 -3.668 1.904 1.00 0.00 O ATOM 0 H ASP A 60 0.394 -4.667 1.142 1.00 0.00 H new ATOM 0 HA ASP A 60 -1.205 -3.052 3.026 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -2.142 -3.564 0.797 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -1.839 -5.275 1.030 1.00 0.00 H new ATOM 877 N PRO A 61 -1.525 -4.825 4.811 1.00 0.00 N ATOM 878 CA PRO A 61 -1.511 -5.742 5.950 1.00 0.00 C ATOM 879 C PRO A 61 -2.003 -7.153 5.612 1.00 0.00 C ATOM 880 O PRO A 61 -1.642 -8.117 6.289 1.00 0.00 O ATOM 881 CB PRO A 61 -2.453 -5.080 6.965 1.00 0.00 C ATOM 882 CG PRO A 61 -3.134 -3.978 6.247 1.00 0.00 C ATOM 883 CD PRO A 61 -2.225 -3.581 5.139 1.00 0.00 C ATOM 0 HA PRO A 61 -0.494 -5.890 6.314 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -3.177 -5.799 7.349 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -1.896 -4.700 7.821 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -4.100 -4.303 5.861 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -3.324 -3.138 6.914 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -2.779 -3.194 4.284 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -1.531 -2.799 5.449 1.00 0.00 H new ATOM 891 N THR A 62 -2.835 -7.273 4.583 1.00 0.00 N ATOM 892 CA THR A 62 -3.289 -8.579 4.128 1.00 0.00 C ATOM 893 C THR A 62 -2.322 -9.140 3.086 1.00 0.00 C ATOM 894 O THR A 62 -2.171 -10.358 2.956 1.00 0.00 O ATOM 895 CB THR A 62 -4.723 -8.538 3.556 1.00 0.00 C ATOM 896 OG1 THR A 62 -4.784 -7.729 2.375 1.00 0.00 O ATOM 897 CG2 THR A 62 -5.699 -7.999 4.592 1.00 0.00 C ATOM 0 H THR A 62 -3.206 -6.485 4.052 1.00 0.00 H new ATOM 0 HA THR A 62 -3.308 -9.234 4.999 1.00 0.00 H new ATOM 0 HB THR A 62 -5.003 -9.559 3.296 1.00 0.00 H new ATOM 0 HG1 THR A 62 -4.696 -6.784 2.621 1.00 0.00 H new ATOM 0 HG21 THR A 62 -6.703 -7.978 4.169 1.00 0.00 H new ATOM 0 HG22 THR A 62 -5.689 -8.643 5.471 1.00 0.00 H new ATOM 0 HG23 THR A 62 -5.405 -6.989 4.878 1.00 0.00 H new ATOM 905 N ALA A 63 -1.648 -8.244 2.364 1.00 0.00 N ATOM 906 CA ALA A 63 -0.597 -8.630 1.453 1.00 0.00 C ATOM 907 C ALA A 63 0.605 -9.120 2.245 1.00 0.00 C ATOM 908 O ALA A 63 1.328 -8.328 2.848 1.00 0.00 O ATOM 909 CB ALA A 63 -0.217 -7.457 0.557 1.00 0.00 C ATOM 0 H ALA A 63 -1.822 -7.240 2.401 1.00 0.00 H new ATOM 0 HA ALA A 63 -0.950 -9.440 0.814 1.00 0.00 H new ATOM 0 HB1 ALA A 63 0.577 -7.762 -0.125 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -1.088 -7.141 -0.018 1.00 0.00 H new ATOM 0 HB3 ALA A 63 0.132 -6.628 1.172 1.00 0.00 H new ATOM 915 N SER A 64 0.783 -10.432 2.267 1.00 0.00 N ATOM 916 CA SER A 64 1.887 -11.053 2.972 1.00 0.00 C ATOM 917 C SER A 64 3.206 -10.508 2.435 1.00 0.00 C ATOM 918 O SER A 64 3.678 -10.909 1.369 1.00 0.00 O ATOM 919 CB SER A 64 1.814 -12.574 2.800 1.00 0.00 C ATOM 920 OG SER A 64 2.644 -13.246 3.729 1.00 0.00 O ATOM 0 H SER A 64 0.165 -11.093 1.796 1.00 0.00 H new ATOM 0 HA SER A 64 1.825 -10.822 4.035 1.00 0.00 H new ATOM 0 HB2 SER A 64 0.783 -12.906 2.926 1.00 0.00 H new ATOM 0 HB3 SER A 64 2.112 -12.840 1.786 1.00 0.00 H new ATOM 0 HG SER A 64 2.572 -14.214 3.592 1.00 0.00 H new ATOM 926 N CYS A 65 3.763 -9.559 3.167 1.00 0.00 N ATOM 927 CA CYS A 65 4.981 -8.887 2.767 1.00 0.00 C ATOM 928 C CYS A 65 6.228 -9.648 3.181 1.00 0.00 C ATOM 929 O CYS A 65 6.284 -10.266 4.244 1.00 0.00 O ATOM 930 CB CYS A 65 5.019 -7.484 3.362 1.00 0.00 C ATOM 931 SG CYS A 65 6.591 -6.634 3.163 1.00 0.00 S ATOM 0 H CYS A 65 3.381 -9.234 4.055 1.00 0.00 H new ATOM 0 HA CYS A 65 4.976 -8.835 1.678 1.00 0.00 H new ATOM 0 HB2 CYS A 65 4.235 -6.885 2.899 1.00 0.00 H new ATOM 0 HB3 CYS A 65 4.786 -7.547 4.425 1.00 0.00 H new ATOM 0 HG CYS A 65 6.393 -5.349 3.163 1.00 0.00 H new ATOM 937 N GLN A 66 7.221 -9.584 2.317 1.00 0.00 N ATOM 938 CA GLN A 66 8.531 -10.124 2.591 1.00 0.00 C ATOM 939 C GLN A 66 9.561 -9.013 2.495 1.00 0.00 C ATOM 940 O GLN A 66 9.578 -8.254 1.521 1.00 0.00 O ATOM 941 CB GLN A 66 8.862 -11.241 1.608 1.00 0.00 C ATOM 942 CG GLN A 66 7.809 -12.329 1.583 1.00 0.00 C ATOM 943 CD GLN A 66 8.338 -13.637 1.049 1.00 0.00 C ATOM 944 OE1 GLN A 66 8.226 -13.936 -0.141 1.00 0.00 O ATOM 945 NE2 GLN A 66 8.949 -14.412 1.923 1.00 0.00 N ATOM 0 H GLN A 66 7.137 -9.151 1.397 1.00 0.00 H new ATOM 0 HA GLN A 66 8.545 -10.542 3.597 1.00 0.00 H new ATOM 0 HB2 GLN A 66 8.967 -10.820 0.608 1.00 0.00 H new ATOM 0 HB3 GLN A 66 9.825 -11.679 1.873 1.00 0.00 H new ATOM 0 HG2 GLN A 66 7.425 -12.481 2.592 1.00 0.00 H new ATOM 0 HG3 GLN A 66 6.970 -12.003 0.969 1.00 0.00 H new ATOM 0 HE21 GLN A 66 9.018 -14.124 2.899 1.00 0.00 H new ATOM 0 HE22 GLN A 66 9.353 -15.299 1.623 1.00 0.00 H new ATOM 954 N ASN A 67 10.407 -8.914 3.507 1.00 0.00 N ATOM 955 CA ASN A 67 11.401 -7.854 3.569 1.00 0.00 C ATOM 956 C ASN A 67 12.660 -8.266 2.825 1.00 0.00 C ATOM 957 O ASN A 67 13.167 -9.371 3.011 1.00 0.00 O ATOM 958 CB ASN A 67 11.732 -7.516 5.026 1.00 0.00 C ATOM 959 CG ASN A 67 12.797 -6.445 5.144 1.00 0.00 C ATOM 960 OD1 ASN A 67 12.930 -5.591 4.276 1.00 0.00 O ATOM 961 ND2 ASN A 67 13.557 -6.482 6.221 1.00 0.00 N ATOM 0 H ASN A 67 10.426 -9.556 4.299 1.00 0.00 H new ATOM 0 HA ASN A 67 10.989 -6.965 3.091 1.00 0.00 H new ATOM 0 HB2 ASN A 67 10.827 -7.182 5.533 1.00 0.00 H new ATOM 0 HB3 ASN A 67 12.069 -8.418 5.537 1.00 0.00 H new ATOM 0 HD21 ASN A 67 14.288 -5.783 6.354 1.00 0.00 H new ATOM 0 HD22 ASN A 67 13.414 -7.210 6.921 1.00 0.00 H new ATOM 968 N ALA A 68 13.159 -7.373 1.988 1.00 0.00 N ATOM 969 CA ALA A 68 14.304 -7.668 1.148 1.00 0.00 C ATOM 970 C ALA A 68 15.103 -6.410 0.883 1.00 0.00 C ATOM 971 O ALA A 68 14.624 -5.300 1.122 1.00 0.00 O ATOM 972 CB ALA A 68 13.853 -8.287 -0.157 1.00 0.00 C ATOM 0 H ALA A 68 12.785 -6.431 1.873 1.00 0.00 H new ATOM 0 HA ALA A 68 14.942 -8.381 1.670 1.00 0.00 H new ATOM 0 HB1 ALA A 68 14.723 -8.503 -0.777 1.00 0.00 H new ATOM 0 HB2 ALA A 68 13.314 -9.212 0.046 1.00 0.00 H new ATOM 0 HB3 ALA A 68 13.197 -7.592 -0.682 1.00 0.00 H new ATOM 978 N GLU A 69 16.318 -6.586 0.398 1.00 0.00 N ATOM 979 CA GLU A 69 17.197 -5.462 0.135 1.00 0.00 C ATOM 980 C GLU A 69 17.622 -5.440 -1.333 1.00 0.00 C ATOM 981 O GLU A 69 17.763 -6.488 -1.968 1.00 0.00 O ATOM 982 CB GLU A 69 18.413 -5.537 1.060 1.00 0.00 C ATOM 983 CG GLU A 69 19.202 -4.245 1.141 1.00 0.00 C ATOM 984 CD GLU A 69 18.298 -3.046 1.311 1.00 0.00 C ATOM 985 OE1 GLU A 69 17.771 -2.833 2.423 1.00 0.00 O ATOM 986 OE2 GLU A 69 18.087 -2.330 0.318 1.00 0.00 O ATOM 0 H GLU A 69 16.719 -7.498 0.178 1.00 0.00 H new ATOM 0 HA GLU A 69 16.661 -4.534 0.335 1.00 0.00 H new ATOM 0 HB2 GLU A 69 18.080 -5.811 2.061 1.00 0.00 H new ATOM 0 HB3 GLU A 69 19.072 -6.333 0.714 1.00 0.00 H new ATOM 0 HG2 GLU A 69 19.899 -4.296 1.977 1.00 0.00 H new ATOM 0 HG3 GLU A 69 19.798 -4.126 0.236 1.00 0.00 H new ATOM 993 N SER A 70 17.802 -4.238 -1.859 1.00 0.00 N ATOM 994 CA SER A 70 18.180 -4.031 -3.257 1.00 0.00 C ATOM 995 C SER A 70 18.559 -2.572 -3.477 1.00 0.00 C ATOM 996 O SER A 70 18.617 -1.792 -2.525 1.00 0.00 O ATOM 997 CB SER A 70 17.024 -4.395 -4.191 1.00 0.00 C ATOM 998 OG SER A 70 17.482 -4.671 -5.503 1.00 0.00 O ATOM 0 H SER A 70 17.691 -3.373 -1.330 1.00 0.00 H new ATOM 0 HA SER A 70 19.031 -4.674 -3.480 1.00 0.00 H new ATOM 0 HB2 SER A 70 16.498 -5.265 -3.798 1.00 0.00 H new ATOM 0 HB3 SER A 70 16.307 -3.575 -4.220 1.00 0.00 H new ATOM 0 HG SER A 70 16.720 -4.902 -6.074 1.00 0.00 H new ATOM 1004 N THR A 71 18.801 -2.198 -4.719 1.00 0.00 N ATOM 1005 CA THR A 71 19.028 -0.803 -5.050 1.00 0.00 C ATOM 1006 C THR A 71 17.690 -0.089 -5.218 1.00 0.00 C ATOM 1007 O THR A 71 17.512 1.049 -4.779 1.00 0.00 O ATOM 1008 CB THR A 71 19.879 -0.656 -6.326 1.00 0.00 C ATOM 1009 OG1 THR A 71 19.281 -1.389 -7.405 1.00 0.00 O ATOM 1010 CG2 THR A 71 21.298 -1.152 -6.093 1.00 0.00 C ATOM 0 H THR A 71 18.846 -2.837 -5.513 1.00 0.00 H new ATOM 0 HA THR A 71 19.582 -0.345 -4.231 1.00 0.00 H new ATOM 0 HB THR A 71 19.920 0.402 -6.586 1.00 0.00 H new ATOM 0 HG1 THR A 71 19.828 -1.288 -8.212 1.00 0.00 H new ATOM 0 HG21 THR A 71 21.878 -1.038 -7.009 1.00 0.00 H new ATOM 0 HG22 THR A 71 21.760 -0.571 -5.295 1.00 0.00 H new ATOM 0 HG23 THR A 71 21.274 -2.204 -5.808 1.00 0.00 H new ATOM 1018 N GLU A 72 16.739 -0.792 -5.820 1.00 0.00 N ATOM 1019 CA GLU A 72 15.390 -0.272 -6.007 1.00 0.00 C ATOM 1020 C GLU A 72 14.517 -0.650 -4.840 1.00 0.00 C ATOM 1021 O GLU A 72 14.248 -1.828 -4.632 1.00 0.00 O ATOM 1022 CB GLU A 72 14.745 -0.859 -7.249 1.00 0.00 C ATOM 1023 CG GLU A 72 15.308 -0.365 -8.554 1.00 0.00 C ATOM 1024 CD GLU A 72 15.007 1.096 -8.809 1.00 0.00 C ATOM 1025 OE1 GLU A 72 15.744 1.965 -8.297 1.00 0.00 O ATOM 1026 OE2 GLU A 72 14.037 1.381 -9.536 1.00 0.00 O ATOM 0 H GLU A 72 16.879 -1.732 -6.190 1.00 0.00 H new ATOM 0 HA GLU A 72 15.477 0.811 -6.100 1.00 0.00 H new ATOM 0 HB2 GLU A 72 14.847 -1.944 -7.214 1.00 0.00 H new ATOM 0 HB3 GLU A 72 13.678 -0.638 -7.224 1.00 0.00 H new ATOM 0 HG2 GLU A 72 16.388 -0.515 -8.558 1.00 0.00 H new ATOM 0 HG3 GLU A 72 14.900 -0.963 -9.369 1.00 0.00 H new ATOM 1033 N ASN A 73 14.051 0.337 -4.104 1.00 0.00 N ATOM 1034 CA ASN A 73 13.145 0.091 -2.987 1.00 0.00 C ATOM 1035 C ASN A 73 11.846 -0.531 -3.463 1.00 0.00 C ATOM 1036 O ASN A 73 11.219 -1.294 -2.733 1.00 0.00 O ATOM 1037 CB ASN A 73 12.862 1.374 -2.198 1.00 0.00 C ATOM 1038 CG ASN A 73 13.075 2.640 -3.006 1.00 0.00 C ATOM 1039 OD1 ASN A 73 12.780 2.689 -4.197 1.00 0.00 O ATOM 1040 ND2 ASN A 73 13.618 3.663 -2.366 1.00 0.00 N ATOM 0 H ASN A 73 14.281 1.319 -4.254 1.00 0.00 H new ATOM 0 HA ASN A 73 13.642 -0.613 -2.320 1.00 0.00 H new ATOM 0 HB2 ASN A 73 11.833 1.351 -1.838 1.00 0.00 H new ATOM 0 HB3 ASN A 73 13.506 1.400 -1.319 1.00 0.00 H new ATOM 0 HD21 ASN A 73 13.806 4.534 -2.863 1.00 0.00 H new ATOM 0 HD22 ASN A 73 13.848 3.581 -1.376 1.00 0.00 H new ATOM 1047 N SER A 74 11.469 -0.245 -4.700 1.00 0.00 N ATOM 1048 CA SER A 74 10.227 -0.765 -5.237 1.00 0.00 C ATOM 1049 C SER A 74 10.425 -2.191 -5.746 1.00 0.00 C ATOM 1050 O SER A 74 9.464 -2.890 -6.075 1.00 0.00 O ATOM 1051 CB SER A 74 9.707 0.146 -6.356 1.00 0.00 C ATOM 1052 OG SER A 74 8.364 -0.169 -6.692 1.00 0.00 O ATOM 0 H SER A 74 12.002 0.340 -5.344 1.00 0.00 H new ATOM 0 HA SER A 74 9.483 -0.787 -4.441 1.00 0.00 H new ATOM 0 HB2 SER A 74 9.771 1.187 -6.040 1.00 0.00 H new ATOM 0 HB3 SER A 74 10.339 0.041 -7.238 1.00 0.00 H new ATOM 0 HG SER A 74 8.232 -1.138 -6.636 1.00 0.00 H new ATOM 1058 N LYS A 75 11.679 -2.629 -5.793 1.00 0.00 N ATOM 1059 CA LYS A 75 11.994 -3.966 -6.262 1.00 0.00 C ATOM 1060 C LYS A 75 12.478 -4.849 -5.112 1.00 0.00 C ATOM 1061 O LYS A 75 12.875 -5.994 -5.330 1.00 0.00 O ATOM 1062 CB LYS A 75 13.055 -3.922 -7.366 1.00 0.00 C ATOM 1063 CG LYS A 75 12.669 -3.050 -8.553 1.00 0.00 C ATOM 1064 CD LYS A 75 13.425 -3.452 -9.803 1.00 0.00 C ATOM 1065 CE LYS A 75 12.918 -2.710 -11.034 1.00 0.00 C ATOM 1066 NZ LYS A 75 13.137 -1.241 -10.935 1.00 0.00 N ATOM 0 H LYS A 75 12.489 -2.076 -5.512 1.00 0.00 H new ATOM 0 HA LYS A 75 11.080 -4.396 -6.671 1.00 0.00 H new ATOM 0 HB2 LYS A 75 13.990 -3.553 -6.944 1.00 0.00 H new ATOM 0 HB3 LYS A 75 13.243 -4.936 -7.718 1.00 0.00 H new ATOM 0 HG2 LYS A 75 11.597 -3.131 -8.732 1.00 0.00 H new ATOM 0 HG3 LYS A 75 12.875 -2.005 -8.321 1.00 0.00 H new ATOM 0 HD2 LYS A 75 14.487 -3.248 -9.667 1.00 0.00 H new ATOM 0 HD3 LYS A 75 13.325 -4.526 -9.959 1.00 0.00 H new ATOM 0 HE2 LYS A 75 13.424 -3.092 -11.921 1.00 0.00 H new ATOM 0 HE3 LYS A 75 11.854 -2.909 -11.164 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 12.501 -0.750 -11.596 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 12.939 -0.925 -9.964 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 14.124 -1.020 -11.176 1.00 0.00 H new ATOM 1080 N LYS A 76 12.443 -4.321 -3.886 1.00 0.00 N ATOM 1081 CA LYS A 76 12.898 -5.084 -2.728 1.00 0.00 C ATOM 1082 C LYS A 76 11.748 -5.848 -2.102 1.00 0.00 C ATOM 1083 O LYS A 76 11.780 -7.070 -2.013 1.00 0.00 O ATOM 1084 CB LYS A 76 13.519 -4.176 -1.663 1.00 0.00 C ATOM 1085 CG LYS A 76 14.548 -3.215 -2.201 1.00 0.00 C ATOM 1086 CD LYS A 76 15.258 -2.469 -1.091 1.00 0.00 C ATOM 1087 CE LYS A 76 15.824 -1.153 -1.594 1.00 0.00 C ATOM 1088 NZ LYS A 76 16.652 -0.461 -0.573 1.00 0.00 N ATOM 0 H LYS A 76 12.109 -3.381 -3.674 1.00 0.00 H new ATOM 0 HA LYS A 76 13.655 -5.781 -3.087 1.00 0.00 H new ATOM 0 HB2 LYS A 76 12.726 -3.608 -1.177 1.00 0.00 H new ATOM 0 HB3 LYS A 76 13.982 -4.797 -0.896 1.00 0.00 H new ATOM 0 HG2 LYS A 76 15.279 -3.762 -2.797 1.00 0.00 H new ATOM 0 HG3 LYS A 76 14.064 -2.501 -2.867 1.00 0.00 H new ATOM 0 HD2 LYS A 76 14.563 -2.281 -0.272 1.00 0.00 H new ATOM 0 HD3 LYS A 76 16.063 -3.086 -0.691 1.00 0.00 H new ATOM 0 HE2 LYS A 76 16.428 -1.337 -2.483 1.00 0.00 H new ATOM 0 HE3 LYS A 76 15.004 -0.500 -1.895 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 16.732 0.547 -0.816 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 16.205 -0.558 0.361 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 17.600 -0.887 -0.548 1.00 0.00 H new ATOM 1102 N ILE A 77 10.721 -5.116 -1.703 1.00 0.00 N ATOM 1103 CA ILE A 77 9.651 -5.679 -0.900 1.00 0.00 C ATOM 1104 C ILE A 77 8.686 -6.493 -1.750 1.00 0.00 C ATOM 1105 O ILE A 77 8.362 -6.133 -2.884 1.00 0.00 O ATOM 1106 CB ILE A 77 8.879 -4.571 -0.157 1.00 0.00 C ATOM 1107 CG1 ILE A 77 9.838 -3.717 0.668 1.00 0.00 C ATOM 1108 CG2 ILE A 77 7.810 -5.147 0.744 1.00 0.00 C ATOM 1109 CD1 ILE A 77 10.593 -4.509 1.716 1.00 0.00 C ATOM 0 H ILE A 77 10.607 -4.127 -1.924 1.00 0.00 H new ATOM 0 HA ILE A 77 10.113 -6.343 -0.169 1.00 0.00 H new ATOM 0 HB ILE A 77 8.393 -3.950 -0.910 1.00 0.00 H new ATOM 0 HG12 ILE A 77 10.553 -3.237 -0.000 1.00 0.00 H new ATOM 0 HG13 ILE A 77 9.276 -2.922 1.158 1.00 0.00 H new ATOM 0 HG21 ILE A 77 7.286 -4.337 1.251 1.00 0.00 H new ATOM 0 HG22 ILE A 77 7.100 -5.720 0.147 1.00 0.00 H new ATOM 0 HG23 ILE A 77 8.271 -5.801 1.484 1.00 0.00 H new ATOM 0 HD11 ILE A 77 11.257 -3.843 2.267 1.00 0.00 H new ATOM 0 HD12 ILE A 77 9.885 -4.967 2.406 1.00 0.00 H new ATOM 0 HD13 ILE A 77 11.181 -5.287 1.230 1.00 0.00 H new ATOM 1121 N ILE A 78 8.240 -7.590 -1.177 1.00 0.00 N ATOM 1122 CA ILE A 78 7.312 -8.494 -1.840 1.00 0.00 C ATOM 1123 C ILE A 78 5.961 -8.423 -1.158 1.00 0.00 C ATOM 1124 O ILE A 78 5.867 -8.581 0.052 1.00 0.00 O ATOM 1125 CB ILE A 78 7.792 -9.967 -1.838 1.00 0.00 C ATOM 1126 CG1 ILE A 78 9.051 -10.132 -2.686 1.00 0.00 C ATOM 1127 CG2 ILE A 78 6.696 -10.897 -2.341 1.00 0.00 C ATOM 1128 CD1 ILE A 78 10.322 -9.774 -1.955 1.00 0.00 C ATOM 0 H ILE A 78 8.508 -7.885 -0.238 1.00 0.00 H new ATOM 0 HA ILE A 78 7.248 -8.170 -2.879 1.00 0.00 H new ATOM 0 HB ILE A 78 8.030 -10.236 -0.809 1.00 0.00 H new ATOM 0 HG12 ILE A 78 9.117 -11.165 -3.027 1.00 0.00 H new ATOM 0 HG13 ILE A 78 8.965 -9.507 -3.575 1.00 0.00 H new ATOM 0 HG21 ILE A 78 7.058 -11.925 -2.330 1.00 0.00 H new ATOM 0 HG22 ILE A 78 5.822 -10.813 -1.695 1.00 0.00 H new ATOM 0 HG23 ILE A 78 6.422 -10.620 -3.359 1.00 0.00 H new ATOM 0 HD11 ILE A 78 11.175 -9.915 -2.618 1.00 0.00 H new ATOM 0 HD12 ILE A 78 10.278 -8.732 -1.637 1.00 0.00 H new ATOM 0 HD13 ILE A 78 10.432 -10.416 -1.081 1.00 0.00 H new ATOM 1140 N CYS A 79 4.931 -8.163 -1.932 1.00 0.00 N ATOM 1141 CA CYS A 79 3.576 -8.124 -1.411 1.00 0.00 C ATOM 1142 C CYS A 79 2.749 -9.252 -2.004 1.00 0.00 C ATOM 1143 O CYS A 79 2.848 -9.549 -3.197 1.00 0.00 O ATOM 1144 CB CYS A 79 2.923 -6.786 -1.738 1.00 0.00 C ATOM 1145 SG CYS A 79 3.056 -6.338 -3.481 1.00 0.00 S ATOM 0 H CYS A 79 5.004 -7.974 -2.932 1.00 0.00 H new ATOM 0 HA CYS A 79 3.621 -8.246 -0.329 1.00 0.00 H new ATOM 0 HB2 CYS A 79 1.870 -6.825 -1.459 1.00 0.00 H new ATOM 0 HB3 CYS A 79 3.385 -6.006 -1.133 1.00 0.00 H new ATOM 0 HG CYS A 79 3.018 -7.414 -4.210 1.00 0.00 H new ATOM 1151 N THR A 80 1.954 -9.900 -1.171 1.00 0.00 N ATOM 1152 CA THR A 80 1.087 -10.966 -1.629 1.00 0.00 C ATOM 1153 C THR A 80 -0.311 -10.875 -1.024 1.00 0.00 C ATOM 1154 O THR A 80 -0.508 -11.192 0.148 1.00 0.00 O ATOM 1155 CB THR A 80 1.683 -12.341 -1.283 1.00 0.00 C ATOM 1156 OG1 THR A 80 2.798 -12.627 -2.139 1.00 0.00 O ATOM 1157 CG2 THR A 80 0.619 -13.418 -1.407 1.00 0.00 C ATOM 0 H THR A 80 1.892 -9.704 -0.172 1.00 0.00 H new ATOM 0 HA THR A 80 1.006 -10.853 -2.710 1.00 0.00 H new ATOM 0 HB THR A 80 2.037 -12.325 -0.252 1.00 0.00 H new ATOM 0 HG1 THR A 80 3.171 -13.504 -1.909 1.00 0.00 H new ATOM 0 HG21 THR A 80 1.052 -14.387 -1.160 1.00 0.00 H new ATOM 0 HG22 THR A 80 -0.200 -13.201 -0.721 1.00 0.00 H new ATOM 0 HG23 THR A 80 0.241 -13.440 -2.429 1.00 0.00 H new ATOM 1165 N CYS A 81 -1.289 -10.477 -1.814 1.00 0.00 N ATOM 1166 CA CYS A 81 -2.663 -10.554 -1.363 1.00 0.00 C ATOM 1167 C CYS A 81 -3.197 -11.931 -1.726 1.00 0.00 C ATOM 1168 O CYS A 81 -3.073 -12.388 -2.862 1.00 0.00 O ATOM 1169 CB CYS A 81 -3.517 -9.441 -1.970 1.00 0.00 C ATOM 1170 SG CYS A 81 -2.947 -7.777 -1.548 1.00 0.00 S ATOM 0 H CYS A 81 -1.162 -10.104 -2.755 1.00 0.00 H new ATOM 0 HA CYS A 81 -2.707 -10.413 -0.283 1.00 0.00 H new ATOM 0 HB2 CYS A 81 -3.523 -9.550 -3.055 1.00 0.00 H new ATOM 0 HB3 CYS A 81 -4.547 -9.560 -1.632 1.00 0.00 H new ATOM 0 HG CYS A 81 -3.952 -6.953 -1.582 1.00 0.00 H new ATOM 1176 N LYS A 82 -3.775 -12.577 -0.739 1.00 0.00 N ATOM 1177 CA LYS A 82 -4.066 -14.000 -0.787 1.00 0.00 C ATOM 1178 C LYS A 82 -5.502 -14.265 -1.233 1.00 0.00 C ATOM 1179 O LYS A 82 -6.222 -13.344 -1.617 1.00 0.00 O ATOM 1180 CB LYS A 82 -3.803 -14.603 0.593 1.00 0.00 C ATOM 1181 CG LYS A 82 -2.371 -14.393 1.062 1.00 0.00 C ATOM 1182 CD LYS A 82 -2.195 -14.703 2.538 1.00 0.00 C ATOM 1183 CE LYS A 82 -2.438 -16.169 2.846 1.00 0.00 C ATOM 1184 NZ LYS A 82 -2.129 -16.485 4.266 1.00 0.00 N ATOM 0 H LYS A 82 -4.061 -12.128 0.131 1.00 0.00 H new ATOM 0 HA LYS A 82 -3.415 -14.471 -1.524 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -4.487 -14.158 1.316 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -4.019 -15.671 0.566 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -1.704 -15.027 0.478 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -2.077 -13.361 0.873 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -1.186 -14.430 2.848 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -2.884 -14.091 3.121 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -3.478 -16.419 2.634 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -1.822 -16.786 2.192 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -2.306 -17.494 4.443 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -1.130 -16.269 4.460 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -2.735 -15.913 4.889 1.00 0.00 H new ATOM 1198 N GLU A 83 -5.908 -15.526 -1.197 1.00 0.00 N ATOM 1199 CA GLU A 83 -7.252 -15.919 -1.619 1.00 0.00 C ATOM 1200 C GLU A 83 -8.357 -15.199 -0.826 1.00 0.00 C ATOM 1201 O GLU A 83 -9.310 -14.700 -1.429 1.00 0.00 O ATOM 1202 CB GLU A 83 -7.417 -17.441 -1.515 1.00 0.00 C ATOM 1203 CG GLU A 83 -8.820 -17.931 -1.827 1.00 0.00 C ATOM 1204 CD GLU A 83 -8.963 -19.426 -1.642 1.00 0.00 C ATOM 1205 OE1 GLU A 83 -8.863 -19.900 -0.488 1.00 0.00 O ATOM 1206 OE2 GLU A 83 -9.186 -20.135 -2.645 1.00 0.00 O ATOM 0 H GLU A 83 -5.325 -16.300 -0.879 1.00 0.00 H new ATOM 0 HA GLU A 83 -7.364 -15.614 -2.660 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -6.715 -17.920 -2.198 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -7.148 -17.758 -0.507 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -9.533 -17.418 -1.182 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -9.074 -17.669 -2.854 1.00 0.00 H new ATOM 1213 N PRO A 84 -8.268 -15.122 0.524 1.00 0.00 N ATOM 1214 CA PRO A 84 -9.279 -14.422 1.331 1.00 0.00 C ATOM 1215 C PRO A 84 -9.281 -12.912 1.105 1.00 0.00 C ATOM 1216 O PRO A 84 -9.997 -12.177 1.781 1.00 0.00 O ATOM 1217 CB PRO A 84 -8.875 -14.731 2.773 1.00 0.00 C ATOM 1218 CG PRO A 84 -7.432 -15.075 2.707 1.00 0.00 C ATOM 1219 CD PRO A 84 -7.222 -15.726 1.373 1.00 0.00 C ATOM 0 HA PRO A 84 -10.285 -14.751 1.070 1.00 0.00 H new ATOM 0 HB2 PRO A 84 -9.046 -13.873 3.423 1.00 0.00 H new ATOM 0 HB3 PRO A 84 -9.459 -15.558 3.177 1.00 0.00 H new ATOM 0 HG2 PRO A 84 -6.813 -14.183 2.807 1.00 0.00 H new ATOM 0 HG3 PRO A 84 -7.154 -15.749 3.518 1.00 0.00 H new ATOM 0 HD2 PRO A 84 -6.224 -15.527 0.982 1.00 0.00 H new ATOM 0 HD3 PRO A 84 -7.331 -16.809 1.434 1.00 0.00 H new ATOM 1227 N THR A 85 -8.483 -12.448 0.159 1.00 0.00 N ATOM 1228 CA THR A 85 -8.379 -11.025 -0.095 1.00 0.00 C ATOM 1229 C THR A 85 -8.587 -10.698 -1.574 1.00 0.00 C ATOM 1230 O THR A 85 -7.732 -10.966 -2.418 1.00 0.00 O ATOM 1231 CB THR A 85 -7.033 -10.461 0.399 1.00 0.00 C ATOM 1232 OG1 THR A 85 -5.953 -11.249 -0.091 1.00 0.00 O ATOM 1233 CG2 THR A 85 -6.987 -10.433 1.915 1.00 0.00 C ATOM 0 H THR A 85 -7.902 -13.033 -0.441 1.00 0.00 H new ATOM 0 HA THR A 85 -9.177 -10.543 0.470 1.00 0.00 H new ATOM 0 HB THR A 85 -6.937 -9.443 0.021 1.00 0.00 H new ATOM 0 HG1 THR A 85 -6.237 -11.727 -0.898 1.00 0.00 H new ATOM 0 HG21 THR A 85 -6.028 -10.031 2.243 1.00 0.00 H new ATOM 0 HG22 THR A 85 -7.792 -9.802 2.292 1.00 0.00 H new ATOM 0 HG23 THR A 85 -7.108 -11.445 2.301 1.00 0.00 H new ATOM 1241 N PRO A 86 -9.776 -10.132 -1.877 1.00 0.00 N ATOM 1242 CA PRO A 86 -10.209 -9.726 -3.226 1.00 0.00 C ATOM 1243 C PRO A 86 -9.122 -9.156 -4.180 1.00 0.00 C ATOM 1244 O PRO A 86 -9.045 -9.614 -5.312 1.00 0.00 O ATOM 1245 CB PRO A 86 -11.301 -8.699 -2.890 1.00 0.00 C ATOM 1246 CG PRO A 86 -11.980 -9.318 -1.730 1.00 0.00 C ATOM 1247 CD PRO A 86 -10.862 -9.870 -0.886 1.00 0.00 C ATOM 0 HA PRO A 86 -10.528 -10.586 -3.815 1.00 0.00 H new ATOM 0 HB2 PRO A 86 -10.879 -7.725 -2.641 1.00 0.00 H new ATOM 0 HB3 PRO A 86 -11.984 -8.546 -3.725 1.00 0.00 H new ATOM 0 HG2 PRO A 86 -12.569 -8.585 -1.178 1.00 0.00 H new ATOM 0 HG3 PRO A 86 -12.665 -10.105 -2.045 1.00 0.00 H new ATOM 0 HD2 PRO A 86 -10.546 -9.159 -0.123 1.00 0.00 H new ATOM 0 HD3 PRO A 86 -11.162 -10.781 -0.368 1.00 0.00 H new ATOM 1255 N ASN A 87 -8.292 -8.179 -3.766 1.00 0.00 N ATOM 1256 CA ASN A 87 -7.352 -7.538 -4.721 1.00 0.00 C ATOM 1257 C ASN A 87 -6.041 -7.085 -4.073 1.00 0.00 C ATOM 1258 O ASN A 87 -5.954 -6.972 -2.857 1.00 0.00 O ATOM 1259 CB ASN A 87 -8.028 -6.337 -5.395 1.00 0.00 C ATOM 1260 CG ASN A 87 -7.217 -5.706 -6.506 1.00 0.00 C ATOM 1261 OD1 ASN A 87 -7.189 -6.200 -7.630 1.00 0.00 O ATOM 1262 ND2 ASN A 87 -6.597 -4.581 -6.212 1.00 0.00 N ATOM 0 H ASN A 87 -8.248 -7.822 -2.812 1.00 0.00 H new ATOM 0 HA ASN A 87 -7.097 -8.299 -5.458 1.00 0.00 H new ATOM 0 HB2 ASN A 87 -8.989 -6.656 -5.799 1.00 0.00 H new ATOM 0 HB3 ASN A 87 -8.236 -5.580 -4.638 1.00 0.00 H new ATOM 0 HD21 ASN A 87 -6.069 -4.087 -6.931 1.00 0.00 H new ATOM 0 HD22 ASN A 87 -6.645 -4.204 -5.265 1.00 0.00 H new ATOM 1269 N ALA A 88 -5.023 -6.854 -4.916 1.00 0.00 N ATOM 1270 CA ALA A 88 -3.779 -6.197 -4.513 1.00 0.00 C ATOM 1271 C ALA A 88 -3.614 -4.896 -5.289 1.00 0.00 C ATOM 1272 O ALA A 88 -3.327 -4.895 -6.484 1.00 0.00 O ATOM 1273 CB ALA A 88 -2.590 -7.107 -4.756 1.00 0.00 C ATOM 0 H ALA A 88 -5.044 -7.121 -5.900 1.00 0.00 H new ATOM 0 HA ALA A 88 -3.826 -5.977 -3.447 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -1.675 -6.600 -4.450 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -2.708 -8.023 -4.177 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -2.531 -7.353 -5.816 1.00 0.00 H new ATOM 1279 N TYR A 89 -3.812 -3.796 -4.593 1.00 0.00 N ATOM 1280 CA TYR A 89 -3.738 -2.481 -5.168 1.00 0.00 C ATOM 1281 C TYR A 89 -2.304 -1.997 -5.165 1.00 0.00 C ATOM 1282 O TYR A 89 -1.627 -2.112 -4.143 1.00 0.00 O ATOM 1283 CB TYR A 89 -4.581 -1.562 -4.319 1.00 0.00 C ATOM 1284 CG TYR A 89 -5.479 -0.672 -5.086 1.00 0.00 C ATOM 1285 CD1 TYR A 89 -5.084 0.591 -5.500 1.00 0.00 C ATOM 1286 CD2 TYR A 89 -6.747 -1.090 -5.363 1.00 0.00 C ATOM 1287 CE1 TYR A 89 -5.953 1.409 -6.189 1.00 0.00 C ATOM 1288 CE2 TYR A 89 -7.615 -0.291 -6.036 1.00 0.00 C ATOM 1289 CZ TYR A 89 -7.226 0.961 -6.455 1.00 0.00 C ATOM 1290 OH TYR A 89 -8.115 1.764 -7.133 1.00 0.00 O ATOM 0 H TYR A 89 -4.032 -3.797 -3.597 1.00 0.00 H new ATOM 0 HA TYR A 89 -4.098 -2.496 -6.197 1.00 0.00 H new ATOM 0 HB2 TYR A 89 -5.182 -2.166 -3.639 1.00 0.00 H new ATOM 0 HB3 TYR A 89 -3.922 -0.950 -3.704 1.00 0.00 H new ATOM 0 HD1 TYR A 89 -4.085 0.937 -5.280 1.00 0.00 H new ATOM 0 HD2 TYR A 89 -7.066 -2.071 -5.043 1.00 0.00 H new ATOM 0 HE1 TYR A 89 -5.639 2.389 -6.516 1.00 0.00 H new ATOM 0 HE2 TYR A 89 -8.616 -0.640 -6.243 1.00 0.00 H new ATOM 0 HH TYR A 89 -8.575 2.352 -6.498 1.00 0.00 H new ATOM 1300 N TYR A 90 -1.849 -1.449 -6.286 1.00 0.00 N ATOM 1301 CA TYR A 90 -0.459 -1.043 -6.416 1.00 0.00 C ATOM 1302 C TYR A 90 0.434 -2.211 -6.084 1.00 0.00 C ATOM 1303 O TYR A 90 1.276 -2.138 -5.190 1.00 0.00 O ATOM 1304 CB TYR A 90 -0.163 0.180 -5.529 1.00 0.00 C ATOM 1305 CG TYR A 90 -0.719 1.459 -6.119 1.00 0.00 C ATOM 1306 CD1 TYR A 90 0.032 2.217 -7.007 1.00 0.00 C ATOM 1307 CD2 TYR A 90 -2.000 1.895 -5.807 1.00 0.00 C ATOM 1308 CE1 TYR A 90 -0.475 3.379 -7.562 1.00 0.00 C ATOM 1309 CE2 TYR A 90 -2.515 3.053 -6.360 1.00 0.00 C ATOM 1310 CZ TYR A 90 -1.749 3.790 -7.235 1.00 0.00 C ATOM 1311 OH TYR A 90 -2.258 4.942 -7.790 1.00 0.00 O ATOM 0 H TYR A 90 -2.421 -1.277 -7.113 1.00 0.00 H new ATOM 0 HA TYR A 90 -0.260 -0.741 -7.444 1.00 0.00 H new ATOM 0 HB2 TYR A 90 -0.591 0.022 -4.539 1.00 0.00 H new ATOM 0 HB3 TYR A 90 0.914 0.280 -5.398 1.00 0.00 H new ATOM 0 HD1 TYR A 90 1.029 1.894 -7.269 1.00 0.00 H new ATOM 0 HD2 TYR A 90 -2.604 1.320 -5.121 1.00 0.00 H new ATOM 0 HE1 TYR A 90 0.124 3.960 -8.247 1.00 0.00 H new ATOM 0 HE2 TYR A 90 -3.513 3.378 -6.107 1.00 0.00 H new ATOM 0 HH TYR A 90 -3.168 5.091 -7.458 1.00 0.00 H new ATOM 1321 N GLU A 91 0.201 -3.308 -6.813 1.00 0.00 N ATOM 1322 CA GLU A 91 0.967 -4.542 -6.688 1.00 0.00 C ATOM 1323 C GLU A 91 0.607 -5.305 -5.417 1.00 0.00 C ATOM 1324 O GLU A 91 0.501 -6.533 -5.421 1.00 0.00 O ATOM 1325 CB GLU A 91 2.455 -4.223 -6.744 1.00 0.00 C ATOM 1326 CG GLU A 91 2.806 -3.263 -7.870 1.00 0.00 C ATOM 1327 CD GLU A 91 2.966 -3.954 -9.201 1.00 0.00 C ATOM 1328 OE1 GLU A 91 4.046 -4.527 -9.452 1.00 0.00 O ATOM 1329 OE2 GLU A 91 2.013 -3.927 -10.008 1.00 0.00 O ATOM 0 H GLU A 91 -0.537 -3.359 -7.515 1.00 0.00 H new ATOM 0 HA GLU A 91 0.714 -5.195 -7.523 1.00 0.00 H new ATOM 0 HB2 GLU A 91 2.766 -3.791 -5.793 1.00 0.00 H new ATOM 0 HB3 GLU A 91 3.017 -5.148 -6.872 1.00 0.00 H new ATOM 0 HG2 GLU A 91 2.027 -2.505 -7.951 1.00 0.00 H new ATOM 0 HG3 GLU A 91 3.732 -2.743 -7.622 1.00 0.00 H new ATOM 1336 N GLY A 92 0.401 -4.564 -4.353 1.00 0.00 N ATOM 1337 CA GLY A 92 0.045 -5.140 -3.075 1.00 0.00 C ATOM 1338 C GLY A 92 0.249 -4.159 -1.939 1.00 0.00 C ATOM 1339 O GLY A 92 0.506 -4.560 -0.807 1.00 0.00 O ATOM 0 H GLY A 92 0.475 -3.547 -4.348 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -0.997 -5.458 -3.098 1.00 0.00 H new ATOM 0 HA3 GLY A 92 0.647 -6.031 -2.898 1.00 0.00 H new ATOM 1343 N VAL A 93 0.152 -2.868 -2.249 1.00 0.00 N ATOM 1344 CA VAL A 93 0.211 -1.825 -1.230 1.00 0.00 C ATOM 1345 C VAL A 93 -1.121 -1.778 -0.504 1.00 0.00 C ATOM 1346 O VAL A 93 -1.221 -1.363 0.653 1.00 0.00 O ATOM 1347 CB VAL A 93 0.525 -0.434 -1.836 1.00 0.00 C ATOM 1348 CG1 VAL A 93 0.694 0.620 -0.757 1.00 0.00 C ATOM 1349 CG2 VAL A 93 1.770 -0.497 -2.702 1.00 0.00 C ATOM 0 H VAL A 93 0.032 -2.520 -3.200 1.00 0.00 H new ATOM 0 HA VAL A 93 1.019 -2.067 -0.540 1.00 0.00 H new ATOM 0 HB VAL A 93 -0.325 -0.148 -2.456 1.00 0.00 H new ATOM 0 HG11 VAL A 93 0.913 1.582 -1.220 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -0.225 0.697 -0.177 1.00 0.00 H new ATOM 0 HG13 VAL A 93 1.516 0.338 -0.099 1.00 0.00 H new ATOM 0 HG21 VAL A 93 1.974 0.489 -3.118 1.00 0.00 H new ATOM 0 HG22 VAL A 93 2.618 -0.818 -2.097 1.00 0.00 H new ATOM 0 HG23 VAL A 93 1.613 -1.208 -3.513 1.00 0.00 H new ATOM 1359 N PHE A 94 -2.150 -2.216 -1.216 1.00 0.00 N ATOM 1360 CA PHE A 94 -3.492 -2.305 -0.672 1.00 0.00 C ATOM 1361 C PHE A 94 -4.218 -3.441 -1.326 1.00 0.00 C ATOM 1362 O PHE A 94 -3.631 -4.301 -1.980 1.00 0.00 O ATOM 1363 CB PHE A 94 -4.340 -1.042 -0.900 1.00 0.00 C ATOM 1364 CG PHE A 94 -3.569 0.220 -0.973 1.00 0.00 C ATOM 1365 CD1 PHE A 94 -2.823 0.505 -2.091 1.00 0.00 C ATOM 1366 CD2 PHE A 94 -3.581 1.111 0.073 1.00 0.00 C ATOM 1367 CE1 PHE A 94 -2.105 1.648 -2.174 1.00 0.00 C ATOM 1368 CE2 PHE A 94 -2.863 2.274 -0.003 1.00 0.00 C ATOM 1369 CZ PHE A 94 -2.118 2.541 -1.124 1.00 0.00 C ATOM 0 H PHE A 94 -2.075 -2.519 -2.187 1.00 0.00 H new ATOM 0 HA PHE A 94 -3.368 -2.444 0.402 1.00 0.00 H new ATOM 0 HB2 PHE A 94 -4.902 -1.162 -1.826 1.00 0.00 H new ATOM 0 HB3 PHE A 94 -5.068 -0.960 -0.093 1.00 0.00 H new ATOM 0 HD1 PHE A 94 -2.810 -0.193 -2.915 1.00 0.00 H new ATOM 0 HD2 PHE A 94 -4.159 0.893 0.959 1.00 0.00 H new ATOM 0 HE1 PHE A 94 -1.524 1.860 -3.059 1.00 0.00 H new ATOM 0 HE2 PHE A 94 -2.883 2.978 0.816 1.00 0.00 H new ATOM 0 HZ PHE A 94 -1.541 3.452 -1.184 1.00 0.00 H new ATOM 1379 N CYS A 95 -5.501 -3.413 -1.136 1.00 0.00 N ATOM 1380 CA CYS A 95 -6.385 -4.412 -1.621 1.00 0.00 C ATOM 1381 C CYS A 95 -7.639 -3.715 -2.169 1.00 0.00 C ATOM 1382 O CYS A 95 -7.731 -2.503 -2.081 1.00 0.00 O ATOM 1383 CB CYS A 95 -6.657 -5.367 -0.470 1.00 0.00 C ATOM 1384 SG CYS A 95 -7.158 -4.553 1.063 1.00 0.00 S ATOM 0 H CYS A 95 -5.971 -2.668 -0.622 1.00 0.00 H new ATOM 0 HA CYS A 95 -5.973 -4.998 -2.442 1.00 0.00 H new ATOM 0 HB2 CYS A 95 -7.438 -6.066 -0.769 1.00 0.00 H new ATOM 0 HB3 CYS A 95 -5.759 -5.955 -0.280 1.00 0.00 H new ATOM 0 HG CYS A 95 -6.113 -4.044 1.646 1.00 0.00 H new ATOM 1390 N SER A 96 -8.537 -4.440 -2.822 1.00 0.00 N ATOM 1391 CA SER A 96 -9.762 -3.855 -3.381 1.00 0.00 C ATOM 1392 C SER A 96 -10.712 -4.948 -3.872 1.00 0.00 C ATOM 1393 O SER A 96 -10.370 -6.123 -3.836 1.00 0.00 O ATOM 1394 CB SER A 96 -9.451 -2.882 -4.502 1.00 0.00 C ATOM 1395 OG SER A 96 -9.397 -1.559 -4.002 1.00 0.00 O ATOM 0 H SER A 96 -8.444 -5.443 -2.982 1.00 0.00 H new ATOM 0 HA SER A 96 -10.254 -3.300 -2.582 1.00 0.00 H new ATOM 0 HB2 SER A 96 -8.499 -3.142 -4.965 1.00 0.00 H new ATOM 0 HB3 SER A 96 -10.213 -2.954 -5.278 1.00 0.00 H new ATOM 0 HG SER A 96 -8.572 -1.127 -4.308 1.00 0.00 H new ATOM 1401 N SER A 97 -11.919 -4.575 -4.285 1.00 0.00 N ATOM 1402 CA SER A 97 -12.898 -5.562 -4.726 1.00 0.00 C ATOM 1403 C SER A 97 -12.607 -5.984 -6.155 1.00 0.00 C ATOM 1404 O SER A 97 -13.300 -5.573 -7.087 1.00 0.00 O ATOM 1405 CB SER A 97 -14.329 -5.016 -4.632 1.00 0.00 C ATOM 1406 OG SER A 97 -15.288 -6.045 -4.823 1.00 0.00 O ATOM 0 H SER A 97 -12.240 -3.608 -4.324 1.00 0.00 H new ATOM 0 HA SER A 97 -12.818 -6.425 -4.065 1.00 0.00 H new ATOM 0 HB2 SER A 97 -14.480 -4.552 -3.657 1.00 0.00 H new ATOM 0 HB3 SER A 97 -14.473 -4.238 -5.381 1.00 0.00 H new ATOM 0 HG SER A 97 -16.190 -5.668 -4.756 1.00 0.00 H new