USER MOD reduce.3.24.130724 H: found=0, std=0, add=655, rem=0, adj=37 USER MOD reduce.3.24.130724 removed 660 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 70 LYS NZ :NH3+ 133:sc= -3.96! (180deg=-3.91!) USER MOD Set 1.2: A 71 GLN : amide:sc= -1.96 K(o=-5.9,f=-0.13) USER MOD Set 2.1: A 48 CYS SG : rot 24:sc= -13.8! USER MOD Set 2.2: A 59 CYS SG : rot 125:sc= -18.5! USER MOD Set 3.1: A 29 CYS SG : rot -143:sc= -3.74! USER MOD Set 3.2: A 33 CYS SG : rot -46:sc= 1.46! USER MOD Set 4.1: A 5 THR OG1 : rot -26:sc= 1.47 USER MOD Set 4.2: A 8 THR OG1 : rot 77:sc= -1.56 USER MOD Set 4.3: A 9 SER OG : rot 180:sc= 0.0451 USER MOD Set 5.1: A 3 CYS SG : rot -100:sc= -11.3! USER MOD Set 5.2: A 16 CYS SG : rot 121:sc= -5.28! USER MOD Set 5.3: A 23 CYS SG : rot -88:sc= -11.1! USER MOD Set 5.4: A 44 CYS SG : rot -73:sc= -12.7! USER MOD Set 5.5: A 60 CYS SG : rot -40:sc= -23.1! USER MOD Set 5.6: A 62 THR OG1 : rot 41:sc= -2.83! USER MOD Set 5.7: A 65 CYS SG : rot 16:sc= -28! USER MOD Set 5.8: A 66 ASN : amide:sc= -11.2! C(o=-1.1e+02!,f=-1.1e+02!) USER MOD Single : A 1 ILE N :NH3+ -112:sc= -0.183 (180deg=-0.473) USER MOD Single : A 4 HIS : no HD1:sc= -13.6! C(o=-14!,f=-12!) USER MOD Single : A 6 THR OG1 : rot -74:sc= -1.99 USER MOD Single : A 12 SER OG : rot 180:sc= -0.585 USER MOD Single : A 15 THR OG1 : rot 180:sc= 0.0683 USER MOD Single : A 21 ASN : amide:sc= -5.64! K(o=-5.6!,f=-2.2) USER MOD Single : A 24 TYR OH : rot 91:sc= 0.00296 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 MET CE :methyl 139:sc= -1.19 (180deg=-1.66!) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ -109:sc= 1.05 (180deg=-0.753) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot 87:sc= 0.989 USER MOD Single : A 51 LYS NZ :NH3+ 169:sc= -0.919 (180deg=-1.34) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 THR OG1 : rot 73:sc= 0.0474 USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 HIS : no HE2:sc= -35.2! C(o=-35!,f=-41!) USER MOD Single : B 1 HIS : no HD1:sc= -0.819 K(o=-0.82,f=-1.4) USER MOD Single : B 1 HIS N :NH3+ -157:sc= -15.6! (180deg=-17.4!) USER MOD Single : B 3 TYR OH : rot -61:sc= 0.511 USER MOD Single : B 4 TYR OH : rot 67:sc= -0.436 USER MOD Single : B 6 SER OG : rot -18:sc= -1.66! USER MOD Single : B 7 SER OG : rot 50:sc= -9.81! USER MOD Single : B 12 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ILE A 1 -5.875 6.491 12.448 1.00 0.00 N ATOM 2 CA ILE A 1 -6.505 6.622 11.146 1.00 0.00 C ATOM 3 C ILE A 1 -6.780 5.230 10.575 1.00 0.00 C ATOM 4 O ILE A 1 -6.664 4.231 11.282 1.00 0.00 O ATOM 5 CB ILE A 1 -5.661 7.508 10.228 1.00 0.00 C ATOM 6 CG1 ILE A 1 -4.265 6.916 10.026 1.00 0.00 C ATOM 7 CG2 ILE A 1 -5.604 8.944 10.753 1.00 0.00 C ATOM 8 CD1 ILE A 1 -3.567 7.554 8.825 1.00 0.00 C ATOM 0 H1 ILE A 1 -6.529 6.825 13.185 1.00 0.00 H new ATOM 0 H2 ILE A 1 -5.639 5.493 12.621 1.00 0.00 H new ATOM 0 H3 ILE A 1 -5.006 7.062 12.472 1.00 0.00 H new ATOM 0 HA ILE A 1 -7.468 7.125 11.238 1.00 0.00 H new ATOM 0 HB ILE A 1 -6.141 7.541 9.250 1.00 0.00 H new ATOM 0 HG12 ILE A 1 -3.667 7.072 10.924 1.00 0.00 H new ATOM 0 HG13 ILE A 1 -4.341 5.839 9.877 1.00 0.00 H new ATOM 0 HG21 ILE A 1 -4.998 9.553 10.082 1.00 0.00 H new ATOM 0 HG22 ILE A 1 -6.613 9.354 10.803 1.00 0.00 H new ATOM 0 HG23 ILE A 1 -5.160 8.950 11.749 1.00 0.00 H new ATOM 0 HD11 ILE A 1 -2.577 7.115 8.704 1.00 0.00 H new ATOM 0 HD12 ILE A 1 -4.155 7.375 7.925 1.00 0.00 H new ATOM 0 HD13 ILE A 1 -3.471 8.627 8.988 1.00 0.00 H new ATOM 20 N VAL A 2 -7.139 5.208 9.299 1.00 0.00 N ATOM 21 CA VAL A 2 -7.432 3.954 8.625 1.00 0.00 C ATOM 22 C VAL A 2 -6.543 3.829 7.387 1.00 0.00 C ATOM 23 O VAL A 2 -6.069 4.830 6.853 1.00 0.00 O ATOM 24 CB VAL A 2 -8.925 3.871 8.301 1.00 0.00 C ATOM 25 CG1 VAL A 2 -9.336 2.432 7.981 1.00 0.00 C ATOM 26 CG2 VAL A 2 -9.767 4.440 9.444 1.00 0.00 C ATOM 0 H VAL A 2 -7.234 6.039 8.714 1.00 0.00 H new ATOM 0 HA VAL A 2 -7.207 3.108 9.274 1.00 0.00 H new ATOM 0 HB VAL A 2 -9.110 4.478 7.415 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -10.402 2.400 7.754 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -8.771 2.075 7.120 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -9.129 1.795 8.841 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -10.824 4.369 9.188 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -9.575 3.872 10.355 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -9.502 5.485 9.605 1.00 0.00 H new ATOM 36 N CYS A 3 -6.344 2.587 6.964 1.00 0.00 N ATOM 37 CA CYS A 3 -5.521 2.317 5.798 1.00 0.00 C ATOM 38 C CYS A 3 -6.117 1.119 5.056 1.00 0.00 C ATOM 39 O CYS A 3 -6.735 0.250 5.669 1.00 0.00 O ATOM 40 CB CYS A 3 -4.059 2.080 6.181 1.00 0.00 C ATOM 41 SG CYS A 3 -3.636 3.055 7.672 1.00 0.00 S ATOM 0 H CYS A 3 -6.739 1.758 7.409 1.00 0.00 H new ATOM 0 HA CYS A 3 -5.520 3.187 5.141 1.00 0.00 H new ATOM 0 HB2 CYS A 3 -3.891 1.020 6.370 1.00 0.00 H new ATOM 0 HB3 CYS A 3 -3.407 2.363 5.354 1.00 0.00 H new ATOM 0 HG CYS A 3 -2.997 4.131 7.320 1.00 0.00 H new ATOM 47 N HIS A 4 -5.913 1.115 3.748 1.00 0.00 N ATOM 48 CA HIS A 4 -6.424 0.038 2.914 1.00 0.00 C ATOM 49 C HIS A 4 -5.432 -1.127 2.917 1.00 0.00 C ATOM 50 O HIS A 4 -4.223 -0.917 3.008 1.00 0.00 O ATOM 51 CB HIS A 4 -6.740 0.545 1.506 1.00 0.00 C ATOM 52 CG HIS A 4 -7.396 1.905 1.475 1.00 0.00 C ATOM 53 ND1 HIS A 4 -8.637 2.152 2.037 1.00 0.00 N ATOM 54 CD2 HIS A 4 -6.970 3.088 0.947 1.00 0.00 C ATOM 55 CE1 HIS A 4 -8.934 3.428 1.848 1.00 0.00 C ATOM 56 NE2 HIS A 4 -7.901 4.006 1.172 1.00 0.00 N ATOM 0 H HIS A 4 -5.401 1.839 3.244 1.00 0.00 H new ATOM 0 HA HIS A 4 -7.365 -0.330 3.324 1.00 0.00 H new ATOM 0 HB2 HIS A 4 -5.816 0.586 0.930 1.00 0.00 H new ATOM 0 HB3 HIS A 4 -7.393 -0.173 1.010 1.00 0.00 H new ATOM 0 HD2 HIS A 4 -6.034 3.250 0.433 1.00 0.00 H new ATOM 0 HE1 HIS A 4 -9.837 3.924 2.173 1.00 0.00 H new ATOM 0 HE2 HIS A 4 -7.852 4.984 0.886 1.00 0.00 H new ATOM 65 N THR A 5 -5.980 -2.328 2.815 1.00 0.00 N ATOM 66 CA THR A 5 -5.158 -3.527 2.803 1.00 0.00 C ATOM 67 C THR A 5 -5.258 -4.231 1.448 1.00 0.00 C ATOM 68 O THR A 5 -6.324 -4.717 1.074 1.00 0.00 O ATOM 69 CB THR A 5 -5.591 -4.408 3.976 1.00 0.00 C ATOM 70 OG1 THR A 5 -6.646 -5.204 3.443 1.00 0.00 O ATOM 71 CG2 THR A 5 -6.260 -3.606 5.095 1.00 0.00 C ATOM 0 H THR A 5 -6.983 -2.498 2.740 1.00 0.00 H new ATOM 0 HA THR A 5 -4.103 -3.283 2.930 1.00 0.00 H new ATOM 0 HB THR A 5 -4.723 -4.934 4.374 1.00 0.00 H new ATOM 0 HG1 THR A 5 -7.073 -4.727 2.701 1.00 0.00 H new ATOM 0 HG21 THR A 5 -6.548 -4.279 5.903 1.00 0.00 H new ATOM 0 HG22 THR A 5 -5.562 -2.860 5.475 1.00 0.00 H new ATOM 0 HG23 THR A 5 -7.147 -3.107 4.705 1.00 0.00 H new ATOM 79 N THR A 6 -4.133 -4.259 0.748 1.00 0.00 N ATOM 80 CA THR A 6 -4.081 -4.894 -0.558 1.00 0.00 C ATOM 81 C THR A 6 -3.449 -6.282 -0.451 1.00 0.00 C ATOM 82 O THR A 6 -3.685 -7.143 -1.298 1.00 0.00 O ATOM 83 CB THR A 6 -3.332 -3.956 -1.509 1.00 0.00 C ATOM 84 OG1 THR A 6 -2.913 -2.879 -0.676 1.00 0.00 O ATOM 85 CG2 THR A 6 -4.261 -3.298 -2.532 1.00 0.00 C ATOM 0 H THR A 6 -3.251 -3.853 1.060 1.00 0.00 H new ATOM 0 HA THR A 6 -5.081 -5.057 -0.959 1.00 0.00 H new ATOM 0 HB THR A 6 -2.553 -4.513 -2.031 1.00 0.00 H new ATOM 0 HG1 THR A 6 -3.684 -2.314 -0.459 1.00 0.00 H new ATOM 0 HG21 THR A 6 -3.681 -2.643 -3.182 1.00 0.00 H new ATOM 0 HG22 THR A 6 -4.745 -4.068 -3.132 1.00 0.00 H new ATOM 0 HG23 THR A 6 -5.019 -2.713 -2.011 1.00 0.00 H new ATOM 93 N ALA A 7 -2.656 -6.458 0.597 1.00 0.00 N ATOM 94 CA ALA A 7 -1.988 -7.728 0.825 1.00 0.00 C ATOM 95 C ALA A 7 -2.983 -8.723 1.425 1.00 0.00 C ATOM 96 O ALA A 7 -3.127 -9.839 0.929 1.00 0.00 O ATOM 97 CB ALA A 7 -0.769 -7.508 1.722 1.00 0.00 C ATOM 0 H ALA A 7 -2.462 -5.742 1.297 1.00 0.00 H new ATOM 0 HA ALA A 7 -1.630 -8.148 -0.115 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -0.267 -8.460 1.894 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -0.080 -6.817 1.236 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -1.090 -7.090 2.676 1.00 0.00 H new ATOM 103 N THR A 8 -3.644 -8.282 2.486 1.00 0.00 N ATOM 104 CA THR A 8 -4.623 -9.120 3.158 1.00 0.00 C ATOM 105 C THR A 8 -5.887 -9.254 2.309 1.00 0.00 C ATOM 106 O THR A 8 -5.895 -9.971 1.309 1.00 0.00 O ATOM 107 CB THR A 8 -4.881 -8.524 4.543 1.00 0.00 C ATOM 108 OG1 THR A 8 -4.752 -7.118 4.347 1.00 0.00 O ATOM 109 CG2 THR A 8 -3.774 -8.862 5.544 1.00 0.00 C ATOM 0 H THR A 8 -3.521 -7.356 2.896 1.00 0.00 H new ATOM 0 HA THR A 8 -4.251 -10.136 3.288 1.00 0.00 H new ATOM 0 HB THR A 8 -5.836 -8.889 4.921 1.00 0.00 H new ATOM 0 HG1 THR A 8 -5.562 -6.772 3.918 1.00 0.00 H new ATOM 0 HG21 THR A 8 -4.008 -8.414 6.510 1.00 0.00 H new ATOM 0 HG22 THR A 8 -3.701 -9.944 5.654 1.00 0.00 H new ATOM 0 HG23 THR A 8 -2.824 -8.469 5.182 1.00 0.00 H new ATOM 117 N SER A 9 -6.926 -8.551 2.736 1.00 0.00 N ATOM 118 CA SER A 9 -8.194 -8.582 2.027 1.00 0.00 C ATOM 119 C SER A 9 -8.014 -8.037 0.608 1.00 0.00 C ATOM 120 O SER A 9 -6.893 -7.962 0.106 1.00 0.00 O ATOM 121 CB SER A 9 -9.262 -7.780 2.772 1.00 0.00 C ATOM 122 OG SER A 9 -8.973 -7.670 4.163 1.00 0.00 O ATOM 0 H SER A 9 -6.915 -7.956 3.565 1.00 0.00 H new ATOM 0 HA SER A 9 -8.529 -9.618 1.972 1.00 0.00 H new ATOM 0 HB2 SER A 9 -9.336 -6.783 2.337 1.00 0.00 H new ATOM 0 HB3 SER A 9 -10.233 -8.258 2.640 1.00 0.00 H new ATOM 0 HG SER A 9 -9.677 -7.150 4.603 1.00 0.00 H new ATOM 128 N PRO A 10 -9.162 -7.658 -0.012 1.00 0.00 N ATOM 129 CA PRO A 10 -9.142 -7.121 -1.362 1.00 0.00 C ATOM 130 C PRO A 10 -8.624 -5.682 -1.372 1.00 0.00 C ATOM 131 O PRO A 10 -7.682 -5.364 -2.096 1.00 0.00 O ATOM 132 CB PRO A 10 -10.576 -7.240 -1.854 1.00 0.00 C ATOM 133 CG PRO A 10 -11.432 -7.404 -0.608 1.00 0.00 C ATOM 134 CD PRO A 10 -10.508 -7.733 0.552 1.00 0.00 C ATOM 0 HA PRO A 10 -8.463 -7.663 -2.020 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -10.871 -6.354 -2.416 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -10.690 -8.094 -2.522 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -11.989 -6.490 -0.405 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -12.164 -8.199 -0.750 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -10.634 -7.025 1.371 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -10.714 -8.725 0.953 1.00 0.00 H new ATOM 142 N ILE A 11 -9.260 -4.851 -0.560 1.00 0.00 N ATOM 143 CA ILE A 11 -8.876 -3.454 -0.466 1.00 0.00 C ATOM 144 C ILE A 11 -9.982 -2.671 0.243 1.00 0.00 C ATOM 145 O ILE A 11 -10.997 -2.335 -0.365 1.00 0.00 O ATOM 146 CB ILE A 11 -8.522 -2.902 -1.849 1.00 0.00 C ATOM 147 CG1 ILE A 11 -7.023 -2.618 -1.959 1.00 0.00 C ATOM 148 CG2 ILE A 11 -9.364 -1.668 -2.179 1.00 0.00 C ATOM 149 CD1 ILE A 11 -6.672 -2.046 -3.335 1.00 0.00 C ATOM 0 H ILE A 11 -10.040 -5.119 0.040 1.00 0.00 H new ATOM 0 HA ILE A 11 -7.974 -3.347 0.136 1.00 0.00 H new ATOM 0 HB ILE A 11 -8.761 -3.663 -2.591 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -6.725 -1.914 -1.182 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -6.462 -3.537 -1.789 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -9.093 -1.296 -3.167 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -10.421 -1.935 -2.170 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -9.180 -0.892 -1.436 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -5.600 -1.853 -3.386 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -6.949 -2.762 -4.108 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -7.216 -1.115 -3.491 1.00 0.00 H new ATOM 161 N SER A 12 -9.748 -2.404 1.520 1.00 0.00 N ATOM 162 CA SER A 12 -10.712 -1.667 2.318 1.00 0.00 C ATOM 163 C SER A 12 -9.999 -0.938 3.460 1.00 0.00 C ATOM 164 O SER A 12 -9.071 -1.478 4.060 1.00 0.00 O ATOM 165 CB SER A 12 -11.791 -2.597 2.876 1.00 0.00 C ATOM 166 OG SER A 12 -11.297 -3.418 3.931 1.00 0.00 O ATOM 0 H SER A 12 -8.905 -2.685 2.021 1.00 0.00 H new ATOM 0 HA SER A 12 -11.198 -0.934 1.674 1.00 0.00 H new ATOM 0 HB2 SER A 12 -12.628 -2.002 3.242 1.00 0.00 H new ATOM 0 HB3 SER A 12 -12.175 -3.229 2.075 1.00 0.00 H new ATOM 0 HG SER A 12 -12.017 -3.995 4.261 1.00 0.00 H new ATOM 172 N ALA A 13 -10.459 0.275 3.724 1.00 0.00 N ATOM 173 CA ALA A 13 -9.877 1.084 4.782 1.00 0.00 C ATOM 174 C ALA A 13 -10.378 0.580 6.137 1.00 0.00 C ATOM 175 O ALA A 13 -11.499 0.889 6.541 1.00 0.00 O ATOM 176 CB ALA A 13 -10.215 2.557 4.545 1.00 0.00 C ATOM 0 H ALA A 13 -11.229 0.718 3.223 1.00 0.00 H new ATOM 0 HA ALA A 13 -8.791 0.996 4.779 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -9.778 3.163 5.339 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -9.811 2.873 3.583 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -11.297 2.686 4.544 1.00 0.00 H new ATOM 182 N VAL A 14 -9.525 -0.185 6.801 1.00 0.00 N ATOM 183 CA VAL A 14 -9.867 -0.733 8.102 1.00 0.00 C ATOM 184 C VAL A 14 -8.772 -0.371 9.107 1.00 0.00 C ATOM 185 O VAL A 14 -7.593 -0.618 8.863 1.00 0.00 O ATOM 186 CB VAL A 14 -10.100 -2.241 7.989 1.00 0.00 C ATOM 187 CG1 VAL A 14 -10.648 -2.610 6.609 1.00 0.00 C ATOM 188 CG2 VAL A 14 -8.818 -3.018 8.295 1.00 0.00 C ATOM 0 H VAL A 14 -8.597 -0.439 6.462 1.00 0.00 H new ATOM 0 HA VAL A 14 -10.798 -0.300 8.466 1.00 0.00 H new ATOM 0 HB VAL A 14 -10.847 -2.521 8.732 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -10.804 -3.687 6.556 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -11.596 -2.097 6.445 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -9.935 -2.309 5.842 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -9.011 -4.087 8.208 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -8.041 -2.731 7.587 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -8.488 -2.791 9.309 1.00 0.00 H new ATOM 198 N THR A 15 -9.203 0.209 10.219 1.00 0.00 N ATOM 199 CA THR A 15 -8.275 0.609 11.262 1.00 0.00 C ATOM 200 C THR A 15 -7.308 -0.534 11.582 1.00 0.00 C ATOM 201 O THR A 15 -7.699 -1.700 11.582 1.00 0.00 O ATOM 202 CB THR A 15 -9.092 1.069 12.471 1.00 0.00 C ATOM 203 OG1 THR A 15 -10.095 1.913 11.911 1.00 0.00 O ATOM 204 CG2 THR A 15 -8.299 1.994 13.396 1.00 0.00 C ATOM 0 H THR A 15 -10.183 0.411 10.419 1.00 0.00 H new ATOM 0 HA THR A 15 -7.650 1.441 10.938 1.00 0.00 H new ATOM 0 HB THR A 15 -9.431 0.199 13.033 1.00 0.00 H new ATOM 0 HG1 THR A 15 -10.672 2.254 12.626 1.00 0.00 H new ATOM 0 HG21 THR A 15 -8.925 2.291 14.237 1.00 0.00 H new ATOM 0 HG22 THR A 15 -7.418 1.470 13.766 1.00 0.00 H new ATOM 0 HG23 THR A 15 -7.988 2.881 12.844 1.00 0.00 H new ATOM 212 N CYS A 16 -6.066 -0.158 11.845 1.00 0.00 N ATOM 213 CA CYS A 16 -5.040 -1.136 12.165 1.00 0.00 C ATOM 214 C CYS A 16 -4.863 -1.168 13.684 1.00 0.00 C ATOM 215 O CYS A 16 -5.518 -0.415 14.405 1.00 0.00 O ATOM 216 CB CYS A 16 -3.725 -0.833 11.445 1.00 0.00 C ATOM 217 SG CYS A 16 -3.296 -2.212 10.320 1.00 0.00 S ATOM 0 H CYS A 16 -5.746 0.811 11.843 1.00 0.00 H new ATOM 0 HA CYS A 16 -5.352 -2.120 11.815 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -3.816 0.094 10.879 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -2.928 -0.685 12.173 1.00 0.00 H new ATOM 0 HG CYS A 16 -3.215 -1.768 9.101 1.00 0.00 H new ATOM 223 N PRO A 17 -3.953 -2.070 14.139 1.00 0.00 N ATOM 224 CA PRO A 17 -3.682 -2.210 15.559 1.00 0.00 C ATOM 225 C PRO A 17 -2.834 -1.045 16.074 1.00 0.00 C ATOM 226 O PRO A 17 -2.563 -0.099 15.337 1.00 0.00 O ATOM 227 CB PRO A 17 -2.989 -3.556 15.698 1.00 0.00 C ATOM 228 CG PRO A 17 -2.481 -3.907 14.309 1.00 0.00 C ATOM 229 CD PRO A 17 -3.160 -2.979 13.315 1.00 0.00 C ATOM 0 HA PRO A 17 -4.588 -2.180 16.164 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -2.167 -3.501 16.412 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -3.680 -4.315 16.065 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -1.398 -3.793 14.259 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -2.704 -4.948 14.073 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -2.428 -2.435 12.717 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -3.790 -3.535 12.620 1.00 0.00 H new ATOM 237 N PRO A 18 -2.431 -1.154 17.368 1.00 0.00 N ATOM 238 CA PRO A 18 -1.620 -0.121 17.989 1.00 0.00 C ATOM 239 C PRO A 18 -0.173 -0.189 17.495 1.00 0.00 C ATOM 240 O PRO A 18 0.523 -1.174 17.738 1.00 0.00 O ATOM 241 CB PRO A 18 -1.750 -0.365 19.485 1.00 0.00 C ATOM 242 CG PRO A 18 -2.245 -1.793 19.633 1.00 0.00 C ATOM 243 CD PRO A 18 -2.735 -2.261 18.271 1.00 0.00 C ATOM 0 HA PRO A 18 -1.952 0.885 17.733 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -0.792 -0.230 19.987 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -2.449 0.339 19.936 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -1.444 -2.439 19.993 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -3.050 -1.844 20.366 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -2.229 -3.175 17.961 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -3.803 -2.477 18.287 1.00 0.00 H new ATOM 251 N GLY A 19 0.235 0.870 16.813 1.00 0.00 N ATOM 252 CA GLY A 19 1.586 0.943 16.283 1.00 0.00 C ATOM 253 C GLY A 19 1.641 1.835 15.040 1.00 0.00 C ATOM 254 O GLY A 19 2.391 2.809 15.003 1.00 0.00 O ATOM 0 H GLY A 19 -0.346 1.685 16.615 1.00 0.00 H new ATOM 0 HA2 GLY A 19 2.259 1.335 17.046 1.00 0.00 H new ATOM 0 HA3 GLY A 19 1.937 -0.058 16.032 1.00 0.00 H new ATOM 258 N GLU A 20 0.836 1.468 14.052 1.00 0.00 N ATOM 259 CA GLU A 20 0.783 2.223 12.814 1.00 0.00 C ATOM 260 C GLU A 20 0.215 3.620 13.064 1.00 0.00 C ATOM 261 O GLU A 20 -0.990 3.780 13.250 1.00 0.00 O ATOM 262 CB GLU A 20 -0.035 1.480 11.754 1.00 0.00 C ATOM 263 CG GLU A 20 0.583 0.116 11.440 1.00 0.00 C ATOM 264 CD GLU A 20 0.031 -0.963 12.374 1.00 0.00 C ATOM 265 OE1 GLU A 20 0.221 -2.160 12.116 1.00 0.00 O ATOM 266 OE2 GLU A 20 -0.615 -0.519 13.399 1.00 0.00 O ATOM 0 H GLU A 20 0.217 0.658 14.085 1.00 0.00 H new ATOM 0 HA GLU A 20 1.799 2.330 12.435 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -1.058 1.347 12.106 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -0.086 2.078 10.844 1.00 0.00 H new ATOM 0 HG2 GLU A 20 0.374 -0.152 10.404 1.00 0.00 H new ATOM 0 HG3 GLU A 20 1.667 0.171 11.542 1.00 0.00 H new ATOM 274 N ASN A 21 1.110 4.598 13.063 1.00 0.00 N ATOM 275 CA ASN A 21 0.713 5.977 13.290 1.00 0.00 C ATOM 276 C ASN A 21 0.267 6.599 11.965 1.00 0.00 C ATOM 277 O ASN A 21 0.056 7.808 11.883 1.00 0.00 O ATOM 278 CB ASN A 21 1.880 6.804 13.831 1.00 0.00 C ATOM 279 CG ASN A 21 2.619 6.051 14.938 1.00 0.00 C ATOM 280 OD1 ASN A 21 3.767 6.323 15.252 1.00 0.00 O ATOM 281 ND2 ASN A 21 1.900 5.090 15.513 1.00 0.00 N ATOM 0 H ASN A 21 2.109 4.462 12.908 1.00 0.00 H new ATOM 0 HA ASN A 21 -0.098 5.979 14.018 1.00 0.00 H new ATOM 0 HB2 ASN A 21 2.571 7.037 13.021 1.00 0.00 H new ATOM 0 HB3 ASN A 21 1.509 7.753 14.217 1.00 0.00 H new ATOM 0 HD21 ASN A 21 2.305 4.530 16.264 1.00 0.00 H new ATOM 0 HD22 ASN A 21 0.944 4.913 15.203 1.00 0.00 H new ATOM 288 N LEU A 22 0.137 5.745 10.961 1.00 0.00 N ATOM 289 CA LEU A 22 -0.279 6.195 9.644 1.00 0.00 C ATOM 290 C LEU A 22 -0.426 4.986 8.720 1.00 0.00 C ATOM 291 O LEU A 22 -0.430 3.845 9.179 1.00 0.00 O ATOM 292 CB LEU A 22 0.681 7.262 9.114 1.00 0.00 C ATOM 293 CG LEU A 22 2.091 6.781 8.764 1.00 0.00 C ATOM 294 CD1 LEU A 22 2.350 6.890 7.260 1.00 0.00 C ATOM 295 CD2 LEU A 22 3.145 7.528 9.584 1.00 0.00 C ATOM 0 H LEU A 22 0.313 4.743 11.033 1.00 0.00 H new ATOM 0 HA LEU A 22 -1.255 6.677 9.697 1.00 0.00 H new ATOM 0 HB2 LEU A 22 0.240 7.709 8.223 1.00 0.00 H new ATOM 0 HB3 LEU A 22 0.763 8.052 9.861 1.00 0.00 H new ATOM 0 HG LEU A 22 2.167 5.726 9.028 1.00 0.00 H new ATOM 0 HD11 LEU A 22 3.359 6.542 7.038 1.00 0.00 H new ATOM 0 HD12 LEU A 22 1.628 6.277 6.721 1.00 0.00 H new ATOM 0 HD13 LEU A 22 2.248 7.929 6.948 1.00 0.00 H new ATOM 0 HD21 LEU A 22 4.138 7.167 9.316 1.00 0.00 H new ATOM 0 HD22 LEU A 22 3.079 8.596 9.376 1.00 0.00 H new ATOM 0 HD23 LEU A 22 2.970 7.354 10.646 1.00 0.00 H new ATOM 307 N CYS A 23 -0.545 5.277 7.431 1.00 0.00 N ATOM 308 CA CYS A 23 -0.692 4.227 6.437 1.00 0.00 C ATOM 309 C CYS A 23 0.615 4.123 5.650 1.00 0.00 C ATOM 310 O CYS A 23 1.613 4.749 6.011 1.00 0.00 O ATOM 311 CB CYS A 23 -1.891 4.480 5.521 1.00 0.00 C ATOM 312 SG CYS A 23 -3.219 5.331 6.449 1.00 0.00 S ATOM 0 H CYS A 23 -0.542 6.224 7.053 1.00 0.00 H new ATOM 0 HA CYS A 23 -0.891 3.278 6.934 1.00 0.00 H new ATOM 0 HB2 CYS A 23 -1.586 5.086 4.668 1.00 0.00 H new ATOM 0 HB3 CYS A 23 -2.262 3.535 5.124 1.00 0.00 H new ATOM 0 HG CYS A 23 -3.977 4.449 7.030 1.00 0.00 H new ATOM 318 N TYR A 24 0.570 3.330 4.590 1.00 0.00 N ATOM 319 CA TYR A 24 1.738 3.137 3.748 1.00 0.00 C ATOM 320 C TYR A 24 1.356 2.479 2.421 1.00 0.00 C ATOM 321 O TYR A 24 0.236 1.998 2.263 1.00 0.00 O ATOM 322 CB TYR A 24 2.664 2.195 4.523 1.00 0.00 C ATOM 323 CG TYR A 24 2.252 0.724 4.456 1.00 0.00 C ATOM 324 CD1 TYR A 24 1.393 0.203 5.403 1.00 0.00 C ATOM 325 CD2 TYR A 24 2.738 -0.084 3.448 1.00 0.00 C ATOM 326 CE1 TYR A 24 1.004 -1.182 5.341 1.00 0.00 C ATOM 327 CE2 TYR A 24 2.349 -1.469 3.385 1.00 0.00 C ATOM 328 CZ TYR A 24 1.502 -1.949 4.334 1.00 0.00 C ATOM 329 OH TYR A 24 1.135 -3.258 4.275 1.00 0.00 O ATOM 0 H TYR A 24 -0.258 2.813 4.295 1.00 0.00 H new ATOM 0 HA TYR A 24 2.209 4.093 3.519 1.00 0.00 H new ATOM 0 HB2 TYR A 24 3.677 2.296 4.133 1.00 0.00 H new ATOM 0 HB3 TYR A 24 2.691 2.507 5.567 1.00 0.00 H new ATOM 0 HD1 TYR A 24 1.012 0.835 6.191 1.00 0.00 H new ATOM 0 HD2 TYR A 24 3.410 0.322 2.707 1.00 0.00 H new ATOM 0 HE1 TYR A 24 0.333 -1.602 6.076 1.00 0.00 H new ATOM 0 HE2 TYR A 24 2.722 -2.112 2.601 1.00 0.00 H new ATOM 0 HH TYR A 24 0.330 -3.348 3.723 1.00 0.00 H new ATOM 339 N ARG A 25 2.310 2.482 1.501 1.00 0.00 N ATOM 340 CA ARG A 25 2.086 1.891 0.192 1.00 0.00 C ATOM 341 C ARG A 25 3.313 1.090 -0.246 1.00 0.00 C ATOM 342 O ARG A 25 4.291 1.658 -0.732 1.00 0.00 O ATOM 343 CB ARG A 25 1.790 2.968 -0.853 1.00 0.00 C ATOM 344 CG ARG A 25 1.007 4.130 -0.238 1.00 0.00 C ATOM 345 CD ARG A 25 1.154 5.397 -1.083 1.00 0.00 C ATOM 346 NE ARG A 25 -0.177 5.857 -1.538 1.00 0.00 N ATOM 347 CZ ARG A 25 -0.386 6.584 -2.657 1.00 0.00 C ATOM 348 NH1 ARG A 25 0.652 6.940 -3.445 1.00 0.00 N ATOM 349 NH2 ARG A 25 -1.617 6.942 -2.968 1.00 0.00 N ATOM 0 H ARG A 25 3.238 2.883 1.636 1.00 0.00 H new ATOM 0 HA ARG A 25 1.224 1.228 0.270 1.00 0.00 H new ATOM 0 HB2 ARG A 25 2.725 3.338 -1.274 1.00 0.00 H new ATOM 0 HB3 ARG A 25 1.219 2.535 -1.675 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -0.046 3.862 -0.158 1.00 0.00 H new ATOM 0 HG3 ARG A 25 1.365 4.320 0.774 1.00 0.00 H new ATOM 0 HD2 ARG A 25 1.639 6.180 -0.499 1.00 0.00 H new ATOM 0 HD3 ARG A 25 1.793 5.199 -1.943 1.00 0.00 H new ATOM 0 HE ARG A 25 -0.988 5.609 -0.971 1.00 0.00 H new ATOM 0 HH11 ARG A 25 1.601 6.660 -3.196 1.00 0.00 H new ATOM 0 HH12 ARG A 25 0.487 7.489 -4.289 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -2.395 6.670 -2.367 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -1.791 7.491 -3.810 1.00 0.00 H new ATOM 363 N LYS A 26 3.225 -0.219 -0.057 1.00 0.00 N ATOM 364 CA LYS A 26 4.315 -1.105 -0.426 1.00 0.00 C ATOM 365 C LYS A 26 4.229 -1.419 -1.920 1.00 0.00 C ATOM 366 O LYS A 26 3.154 -1.337 -2.514 1.00 0.00 O ATOM 367 CB LYS A 26 4.322 -2.348 0.465 1.00 0.00 C ATOM 368 CG LYS A 26 5.608 -2.428 1.289 1.00 0.00 C ATOM 369 CD LYS A 26 5.532 -3.558 2.318 1.00 0.00 C ATOM 370 CE LYS A 26 5.225 -3.009 3.713 1.00 0.00 C ATOM 371 NZ LYS A 26 6.109 -3.635 4.721 1.00 0.00 N ATOM 0 H LYS A 26 2.414 -0.687 0.348 1.00 0.00 H new ATOM 0 HA LYS A 26 5.275 -0.617 -0.258 1.00 0.00 H new ATOM 0 HB2 LYS A 26 3.460 -2.326 1.132 1.00 0.00 H new ATOM 0 HB3 LYS A 26 4.225 -3.242 -0.152 1.00 0.00 H new ATOM 0 HG2 LYS A 26 6.458 -2.591 0.627 1.00 0.00 H new ATOM 0 HG3 LYS A 26 5.777 -1.479 1.798 1.00 0.00 H new ATOM 0 HD2 LYS A 26 4.760 -4.270 2.025 1.00 0.00 H new ATOM 0 HD3 LYS A 26 6.477 -4.102 2.337 1.00 0.00 H new ATOM 0 HE2 LYS A 26 5.361 -1.928 3.723 1.00 0.00 H new ATOM 0 HE3 LYS A 26 4.182 -3.202 3.965 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 5.888 -3.252 5.662 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 5.960 -4.664 4.722 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 7.101 -3.430 4.488 1.00 0.00 H new ATOM 385 N MET A 27 5.374 -1.773 -2.486 1.00 0.00 N ATOM 386 CA MET A 27 5.441 -2.100 -3.899 1.00 0.00 C ATOM 387 C MET A 27 6.542 -3.127 -4.174 1.00 0.00 C ATOM 388 O MET A 27 7.550 -3.163 -3.472 1.00 0.00 O ATOM 389 CB MET A 27 5.717 -0.829 -4.705 1.00 0.00 C ATOM 390 CG MET A 27 4.479 -0.405 -5.499 1.00 0.00 C ATOM 391 SD MET A 27 4.530 1.351 -5.817 1.00 0.00 S ATOM 392 CE MET A 27 2.831 1.631 -6.287 1.00 0.00 C ATOM 0 H MET A 27 6.263 -1.840 -1.990 1.00 0.00 H new ATOM 0 HA MET A 27 4.485 -2.531 -4.198 1.00 0.00 H new ATOM 0 HB2 MET A 27 6.015 -0.025 -4.032 1.00 0.00 H new ATOM 0 HB3 MET A 27 6.550 -1.000 -5.387 1.00 0.00 H new ATOM 0 HG2 MET A 27 4.436 -0.952 -6.441 1.00 0.00 H new ATOM 0 HG3 MET A 27 3.576 -0.656 -4.942 1.00 0.00 H new ATOM 0 HE1 MET A 27 2.479 2.562 -5.843 1.00 0.00 H new ATOM 0 HE2 MET A 27 2.760 1.697 -7.373 1.00 0.00 H new ATOM 0 HE3 MET A 27 2.215 0.805 -5.933 1.00 0.00 H new ATOM 402 N TRP A 28 6.310 -3.937 -5.196 1.00 0.00 N ATOM 403 CA TRP A 28 7.269 -4.963 -5.571 1.00 0.00 C ATOM 404 C TRP A 28 6.887 -5.482 -6.958 1.00 0.00 C ATOM 405 O TRP A 28 7.180 -4.843 -7.967 1.00 0.00 O ATOM 406 CB TRP A 28 7.332 -6.067 -4.515 1.00 0.00 C ATOM 407 CG TRP A 28 6.009 -6.305 -3.784 1.00 0.00 C ATOM 408 CD1 TRP A 28 4.851 -6.746 -4.295 1.00 0.00 C ATOM 409 CD2 TRP A 28 5.753 -6.095 -2.379 1.00 0.00 C ATOM 410 NE1 TRP A 28 3.872 -6.836 -3.326 1.00 0.00 N ATOM 411 CE2 TRP A 28 4.438 -6.427 -2.124 1.00 0.00 C ATOM 412 CE3 TRP A 28 6.605 -5.642 -1.357 1.00 0.00 C ATOM 413 CZ2 TRP A 28 3.857 -6.341 -0.854 1.00 0.00 C ATOM 414 CZ3 TRP A 28 6.009 -5.560 -0.093 1.00 0.00 C ATOM 415 CH2 TRP A 28 4.687 -5.890 0.179 1.00 0.00 C ATOM 0 H TRP A 28 5.472 -3.904 -5.776 1.00 0.00 H new ATOM 0 HA TRP A 28 8.277 -4.550 -5.619 1.00 0.00 H new ATOM 0 HB2 TRP A 28 7.643 -6.996 -4.993 1.00 0.00 H new ATOM 0 HB3 TRP A 28 8.099 -5.813 -3.783 1.00 0.00 H new ATOM 0 HD1 TRP A 28 4.703 -6.999 -5.334 1.00 0.00 H new ATOM 0 HE1 TRP A 28 2.910 -7.146 -3.466 1.00 0.00 H new ATOM 0 HE3 TRP A 28 7.637 -5.378 -1.533 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 2.825 -6.608 -0.680 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 6.620 -5.216 0.729 1.00 0.00 H new ATOM 0 HH2 TRP A 28 4.301 -5.799 1.184 1.00 0.00 H new ATOM 426 N CYS A 29 6.238 -6.637 -6.964 1.00 0.00 N ATOM 427 CA CYS A 29 5.815 -7.251 -8.211 1.00 0.00 C ATOM 428 C CYS A 29 4.999 -8.502 -7.878 1.00 0.00 C ATOM 429 O CYS A 29 5.497 -9.413 -7.217 1.00 0.00 O ATOM 430 CB CYS A 29 7.004 -7.569 -9.119 1.00 0.00 C ATOM 431 SG CYS A 29 6.928 -6.547 -10.635 1.00 0.00 S ATOM 0 H CYS A 29 5.995 -7.164 -6.125 1.00 0.00 H new ATOM 0 HA CYS A 29 5.194 -6.552 -8.771 1.00 0.00 H new ATOM 0 HB2 CYS A 29 7.937 -7.379 -8.589 1.00 0.00 H new ATOM 0 HB3 CYS A 29 6.997 -8.626 -9.383 1.00 0.00 H new ATOM 0 HG CYS A 29 7.335 -7.248 -11.651 1.00 0.00 H new ATOM 437 N ASP A 30 3.762 -8.506 -8.349 1.00 0.00 N ATOM 438 CA ASP A 30 2.873 -9.631 -8.110 1.00 0.00 C ATOM 439 C ASP A 30 3.600 -10.932 -8.453 1.00 0.00 C ATOM 440 O ASP A 30 4.749 -10.908 -8.894 1.00 0.00 O ATOM 441 CB ASP A 30 1.624 -9.543 -8.989 1.00 0.00 C ATOM 442 CG ASP A 30 0.520 -10.545 -8.646 1.00 0.00 C ATOM 443 OD1 ASP A 30 0.446 -11.053 -7.518 1.00 0.00 O ATOM 444 OD2 ASP A 30 -0.298 -10.805 -9.610 1.00 0.00 O ATOM 0 H ASP A 30 3.353 -7.748 -8.895 1.00 0.00 H new ATOM 0 HA ASP A 30 2.578 -9.610 -7.061 1.00 0.00 H new ATOM 0 HB2 ASP A 30 1.215 -8.535 -8.914 1.00 0.00 H new ATOM 0 HB3 ASP A 30 1.918 -9.691 -10.028 1.00 0.00 H new ATOM 450 N ALA A 31 2.902 -12.037 -8.235 1.00 0.00 N ATOM 451 CA ALA A 31 3.468 -13.347 -8.514 1.00 0.00 C ATOM 452 C ALA A 31 3.534 -13.557 -10.028 1.00 0.00 C ATOM 453 O ALA A 31 4.011 -14.590 -10.494 1.00 0.00 O ATOM 454 CB ALA A 31 2.637 -14.422 -7.811 1.00 0.00 C ATOM 0 H ALA A 31 1.950 -12.053 -7.869 1.00 0.00 H new ATOM 0 HA ALA A 31 4.485 -13.417 -8.127 1.00 0.00 H new ATOM 0 HB1 ALA A 31 3.061 -15.404 -8.020 1.00 0.00 H new ATOM 0 HB2 ALA A 31 2.647 -14.244 -6.736 1.00 0.00 H new ATOM 0 HB3 ALA A 31 1.611 -14.385 -8.176 1.00 0.00 H new ATOM 460 N PHE A 32 3.047 -12.560 -10.753 1.00 0.00 N ATOM 461 CA PHE A 32 3.045 -12.624 -12.205 1.00 0.00 C ATOM 462 C PHE A 32 3.876 -11.487 -12.804 1.00 0.00 C ATOM 463 O PHE A 32 4.167 -11.490 -13.999 1.00 0.00 O ATOM 464 CB PHE A 32 1.590 -12.469 -12.657 1.00 0.00 C ATOM 465 CG PHE A 32 0.704 -13.669 -12.320 1.00 0.00 C ATOM 466 CD1 PHE A 32 0.522 -14.039 -11.024 1.00 0.00 C ATOM 467 CD2 PHE A 32 0.096 -14.366 -13.317 1.00 0.00 C ATOM 468 CE1 PHE A 32 -0.301 -15.153 -10.713 1.00 0.00 C ATOM 469 CE2 PHE A 32 -0.728 -15.479 -13.005 1.00 0.00 C ATOM 470 CZ PHE A 32 -0.909 -15.850 -11.710 1.00 0.00 C ATOM 0 H PHE A 32 2.652 -11.705 -10.363 1.00 0.00 H new ATOM 0 HA PHE A 32 3.476 -13.568 -12.537 1.00 0.00 H new ATOM 0 HB2 PHE A 32 1.169 -11.577 -12.193 1.00 0.00 H new ATOM 0 HB3 PHE A 32 1.570 -12.307 -13.735 1.00 0.00 H new ATOM 0 HD1 PHE A 32 1.004 -13.485 -10.232 1.00 0.00 H new ATOM 0 HD2 PHE A 32 0.240 -14.073 -14.346 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -0.444 -15.447 -9.684 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -1.211 -16.031 -13.797 1.00 0.00 H new ATOM 0 HZ PHE A 32 -1.535 -16.698 -11.473 1.00 0.00 H new ATOM 480 N CYS A 33 4.233 -10.543 -11.947 1.00 0.00 N ATOM 481 CA CYS A 33 5.026 -9.403 -12.378 1.00 0.00 C ATOM 482 C CYS A 33 4.575 -9.009 -13.786 1.00 0.00 C ATOM 483 O CYS A 33 5.365 -9.049 -14.728 1.00 0.00 O ATOM 484 CB CYS A 33 6.525 -9.703 -12.321 1.00 0.00 C ATOM 485 SG CYS A 33 7.445 -8.481 -13.326 1.00 0.00 S ATOM 0 H CYS A 33 3.988 -10.543 -10.957 1.00 0.00 H new ATOM 0 HA CYS A 33 4.864 -8.566 -11.699 1.00 0.00 H new ATOM 0 HB2 CYS A 33 6.872 -9.672 -11.288 1.00 0.00 H new ATOM 0 HB3 CYS A 33 6.717 -10.710 -12.692 1.00 0.00 H new ATOM 0 HG CYS A 33 6.858 -8.336 -14.477 1.00 0.00 H new ATOM 491 N SER A 34 3.307 -8.638 -13.884 1.00 0.00 N ATOM 492 CA SER A 34 2.742 -8.239 -15.161 1.00 0.00 C ATOM 493 C SER A 34 3.413 -6.955 -15.653 1.00 0.00 C ATOM 494 O SER A 34 4.244 -6.378 -14.950 1.00 0.00 O ATOM 495 CB SER A 34 1.228 -8.038 -15.055 1.00 0.00 C ATOM 496 OG SER A 34 0.549 -9.252 -14.747 1.00 0.00 O ATOM 0 H SER A 34 2.655 -8.605 -13.100 1.00 0.00 H new ATOM 0 HA SER A 34 2.927 -9.037 -15.880 1.00 0.00 H new ATOM 0 HB2 SER A 34 1.014 -7.297 -14.285 1.00 0.00 H new ATOM 0 HB3 SER A 34 0.848 -7.639 -15.996 1.00 0.00 H new ATOM 0 HG SER A 34 -0.414 -9.082 -14.686 1.00 0.00 H new ATOM 502 N SER A 35 3.031 -6.546 -16.853 1.00 0.00 N ATOM 503 CA SER A 35 3.587 -5.341 -17.444 1.00 0.00 C ATOM 504 C SER A 35 3.083 -4.108 -16.692 1.00 0.00 C ATOM 505 O SER A 35 3.512 -2.988 -16.970 1.00 0.00 O ATOM 506 CB SER A 35 3.227 -5.241 -18.929 1.00 0.00 C ATOM 507 OG SER A 35 3.555 -6.431 -19.639 1.00 0.00 O ATOM 0 H SER A 35 2.343 -7.027 -17.432 1.00 0.00 H new ATOM 0 HA SER A 35 4.673 -5.389 -17.362 1.00 0.00 H new ATOM 0 HB2 SER A 35 2.160 -5.041 -19.031 1.00 0.00 H new ATOM 0 HB3 SER A 35 3.754 -4.397 -19.374 1.00 0.00 H new ATOM 0 HG SER A 35 3.308 -6.328 -20.582 1.00 0.00 H new ATOM 513 N ARG A 36 2.180 -4.353 -15.755 1.00 0.00 N ATOM 514 CA ARG A 36 1.613 -3.276 -14.960 1.00 0.00 C ATOM 515 C ARG A 36 2.640 -2.766 -13.949 1.00 0.00 C ATOM 516 O ARG A 36 2.336 -1.896 -13.134 1.00 0.00 O ATOM 517 CB ARG A 36 0.362 -3.741 -14.216 1.00 0.00 C ATOM 518 CG ARG A 36 -0.584 -4.501 -15.149 1.00 0.00 C ATOM 519 CD ARG A 36 -1.232 -3.552 -16.161 1.00 0.00 C ATOM 520 NE ARG A 36 -2.579 -3.158 -15.693 1.00 0.00 N ATOM 521 CZ ARG A 36 -3.574 -2.750 -16.508 1.00 0.00 C ATOM 522 NH1 ARG A 36 -3.382 -2.679 -17.842 1.00 0.00 N ATOM 523 NH2 ARG A 36 -4.738 -2.420 -15.982 1.00 0.00 N ATOM 0 H ARG A 36 1.826 -5.282 -15.528 1.00 0.00 H new ATOM 0 HA ARG A 36 1.338 -2.470 -15.641 1.00 0.00 H new ATOM 0 HB2 ARG A 36 0.648 -4.382 -13.382 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -0.154 -2.879 -13.793 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -0.033 -5.280 -15.676 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -1.357 -4.998 -14.563 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -0.610 -2.667 -16.292 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -1.304 -4.038 -17.134 1.00 0.00 H new ATOM 0 HE ARG A 36 -2.767 -3.197 -14.691 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -2.479 -2.935 -18.242 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -4.140 -2.370 -18.451 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -4.876 -2.475 -14.973 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -5.500 -2.110 -16.584 1.00 0.00 H new ATOM 537 N GLY A 37 3.838 -3.328 -14.034 1.00 0.00 N ATOM 538 CA GLY A 37 4.913 -2.940 -13.135 1.00 0.00 C ATOM 539 C GLY A 37 4.859 -3.748 -11.837 1.00 0.00 C ATOM 540 O GLY A 37 4.816 -4.977 -11.869 1.00 0.00 O ATOM 0 H GLY A 37 4.088 -4.049 -14.711 1.00 0.00 H new ATOM 0 HA2 GLY A 37 5.875 -3.094 -13.624 1.00 0.00 H new ATOM 0 HA3 GLY A 37 4.837 -1.876 -12.909 1.00 0.00 H new ATOM 544 N LYS A 38 4.865 -3.026 -10.727 1.00 0.00 N ATOM 545 CA LYS A 38 4.818 -3.660 -9.421 1.00 0.00 C ATOM 546 C LYS A 38 3.370 -3.697 -8.928 1.00 0.00 C ATOM 547 O LYS A 38 2.443 -3.439 -9.694 1.00 0.00 O ATOM 548 CB LYS A 38 5.779 -2.966 -8.454 1.00 0.00 C ATOM 549 CG LYS A 38 6.971 -2.366 -9.202 1.00 0.00 C ATOM 550 CD LYS A 38 7.487 -3.328 -10.274 1.00 0.00 C ATOM 551 CE LYS A 38 9.017 -3.323 -10.324 1.00 0.00 C ATOM 552 NZ LYS A 38 9.578 -3.855 -9.062 1.00 0.00 N ATOM 0 H LYS A 38 4.902 -2.007 -10.705 1.00 0.00 H new ATOM 0 HA LYS A 38 5.159 -4.693 -9.487 1.00 0.00 H new ATOM 0 HB2 LYS A 38 5.252 -2.180 -7.913 1.00 0.00 H new ATOM 0 HB3 LYS A 38 6.133 -3.681 -7.712 1.00 0.00 H new ATOM 0 HG2 LYS A 38 6.677 -1.424 -9.665 1.00 0.00 H new ATOM 0 HG3 LYS A 38 7.771 -2.139 -8.497 1.00 0.00 H new ATOM 0 HD2 LYS A 38 7.130 -4.336 -10.065 1.00 0.00 H new ATOM 0 HD3 LYS A 38 7.087 -3.043 -11.247 1.00 0.00 H new ATOM 0 HE2 LYS A 38 9.361 -3.926 -11.165 1.00 0.00 H new ATOM 0 HE3 LYS A 38 9.378 -2.308 -10.490 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 10.014 -3.080 -8.522 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 8.817 -4.285 -8.498 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 10.298 -4.574 -9.278 1.00 0.00 H new ATOM 566 N VAL A 39 3.221 -4.020 -7.652 1.00 0.00 N ATOM 567 CA VAL A 39 1.902 -4.094 -7.047 1.00 0.00 C ATOM 568 C VAL A 39 1.685 -2.871 -6.155 1.00 0.00 C ATOM 569 O VAL A 39 2.384 -1.868 -6.289 1.00 0.00 O ATOM 570 CB VAL A 39 1.744 -5.419 -6.297 1.00 0.00 C ATOM 571 CG1 VAL A 39 0.269 -5.809 -6.180 1.00 0.00 C ATOM 572 CG2 VAL A 39 2.554 -6.530 -6.968 1.00 0.00 C ATOM 0 H VAL A 39 3.992 -4.234 -7.020 1.00 0.00 H new ATOM 0 HA VAL A 39 1.128 -4.077 -7.814 1.00 0.00 H new ATOM 0 HB VAL A 39 2.136 -5.282 -5.289 1.00 0.00 H new ATOM 0 HG11 VAL A 39 0.184 -6.754 -5.643 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -0.270 -5.033 -5.637 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -0.159 -5.918 -7.177 1.00 0.00 H new ATOM 0 HG21 VAL A 39 2.424 -7.460 -6.415 1.00 0.00 H new ATOM 0 HG22 VAL A 39 2.207 -6.665 -7.992 1.00 0.00 H new ATOM 0 HG23 VAL A 39 3.609 -6.257 -6.976 1.00 0.00 H new ATOM 582 N VAL A 40 0.714 -2.995 -5.261 1.00 0.00 N ATOM 583 CA VAL A 40 0.396 -1.912 -4.347 1.00 0.00 C ATOM 584 C VAL A 40 -0.245 -2.489 -3.083 1.00 0.00 C ATOM 585 O VAL A 40 -1.461 -2.418 -2.912 1.00 0.00 O ATOM 586 CB VAL A 40 -0.489 -0.877 -5.047 1.00 0.00 C ATOM 587 CG1 VAL A 40 -0.353 0.497 -4.386 1.00 0.00 C ATOM 588 CG2 VAL A 40 -0.166 -0.803 -6.539 1.00 0.00 C ATOM 0 H VAL A 40 0.138 -3.829 -5.151 1.00 0.00 H new ATOM 0 HA VAL A 40 1.304 -1.391 -4.043 1.00 0.00 H new ATOM 0 HB VAL A 40 -1.526 -1.196 -4.944 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -0.992 1.214 -4.902 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -0.654 0.429 -3.341 1.00 0.00 H new ATOM 0 HG13 VAL A 40 0.684 0.828 -4.444 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -0.808 -0.061 -7.014 1.00 0.00 H new ATOM 0 HG22 VAL A 40 0.878 -0.518 -6.672 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -0.337 -1.777 -6.997 1.00 0.00 H new ATOM 598 N GLU A 41 0.603 -3.046 -2.230 1.00 0.00 N ATOM 599 CA GLU A 41 0.133 -3.635 -0.988 1.00 0.00 C ATOM 600 C GLU A 41 0.182 -2.603 0.141 1.00 0.00 C ATOM 601 O GLU A 41 0.990 -2.721 1.060 1.00 0.00 O ATOM 602 CB GLU A 41 0.950 -4.879 -0.629 1.00 0.00 C ATOM 603 CG GLU A 41 1.237 -5.724 -1.872 1.00 0.00 C ATOM 604 CD GLU A 41 1.009 -7.210 -1.588 1.00 0.00 C ATOM 605 OE1 GLU A 41 0.795 -7.595 -0.429 1.00 0.00 O ATOM 606 OE2 GLU A 41 1.058 -7.976 -2.626 1.00 0.00 O ATOM 0 H GLU A 41 1.611 -3.102 -2.375 1.00 0.00 H new ATOM 0 HA GLU A 41 -0.903 -3.946 -1.125 1.00 0.00 H new ATOM 0 HB2 GLU A 41 1.889 -4.580 -0.163 1.00 0.00 H new ATOM 0 HB3 GLU A 41 0.407 -5.476 0.104 1.00 0.00 H new ATOM 0 HG2 GLU A 41 0.593 -5.403 -2.691 1.00 0.00 H new ATOM 0 HG3 GLU A 41 2.266 -5.565 -2.195 1.00 0.00 H new ATOM 614 N LEU A 42 -0.694 -1.616 0.033 1.00 0.00 N ATOM 615 CA LEU A 42 -0.761 -0.563 1.033 1.00 0.00 C ATOM 616 C LEU A 42 -1.244 -1.155 2.360 1.00 0.00 C ATOM 617 O LEU A 42 -1.430 -2.366 2.471 1.00 0.00 O ATOM 618 CB LEU A 42 -1.619 0.600 0.531 1.00 0.00 C ATOM 619 CG LEU A 42 -1.602 0.843 -0.980 1.00 0.00 C ATOM 620 CD1 LEU A 42 -2.865 0.286 -1.641 1.00 0.00 C ATOM 621 CD2 LEU A 42 -1.397 2.325 -1.294 1.00 0.00 C ATOM 0 H LEU A 42 -1.363 -1.522 -0.731 1.00 0.00 H new ATOM 0 HA LEU A 42 0.230 -0.144 1.211 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -2.650 0.425 0.839 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -1.288 1.511 1.029 1.00 0.00 H new ATOM 0 HG LEU A 42 -0.754 0.304 -1.402 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -2.826 0.472 -2.714 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -2.927 -0.787 -1.461 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -3.743 0.776 -1.219 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -1.389 2.470 -2.374 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -2.209 2.905 -0.856 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -0.447 2.657 -0.876 1.00 0.00 H new ATOM 633 N GLY A 43 -1.431 -0.274 3.331 1.00 0.00 N ATOM 634 CA GLY A 43 -1.888 -0.694 4.645 1.00 0.00 C ATOM 635 C GLY A 43 -1.500 0.330 5.714 1.00 0.00 C ATOM 636 O GLY A 43 -1.436 1.527 5.438 1.00 0.00 O ATOM 0 H GLY A 43 -1.274 0.729 3.234 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -2.971 -0.821 4.634 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -1.456 -1.664 4.891 1.00 0.00 H new ATOM 640 N CYS A 44 -1.250 -0.178 6.911 1.00 0.00 N ATOM 641 CA CYS A 44 -0.870 0.677 8.023 1.00 0.00 C ATOM 642 C CYS A 44 0.599 0.410 8.354 1.00 0.00 C ATOM 643 O CYS A 44 1.116 -0.670 8.073 1.00 0.00 O ATOM 644 CB CYS A 44 -1.776 0.464 9.237 1.00 0.00 C ATOM 645 SG CYS A 44 -3.523 0.360 8.701 1.00 0.00 S ATOM 0 H CYS A 44 -1.303 -1.171 7.136 1.00 0.00 H new ATOM 0 HA CYS A 44 -0.994 1.722 7.739 1.00 0.00 H new ATOM 0 HB2 CYS A 44 -1.491 -0.450 9.758 1.00 0.00 H new ATOM 0 HB3 CYS A 44 -1.652 1.285 9.943 1.00 0.00 H new ATOM 0 HG CYS A 44 -3.945 1.543 8.366 1.00 0.00 H new ATOM 651 N ALA A 45 1.231 1.412 8.948 1.00 0.00 N ATOM 652 CA ALA A 45 2.631 1.299 9.321 1.00 0.00 C ATOM 653 C ALA A 45 3.024 2.502 10.179 1.00 0.00 C ATOM 654 O ALA A 45 2.568 3.619 9.937 1.00 0.00 O ATOM 655 CB ALA A 45 3.487 1.179 8.058 1.00 0.00 C ATOM 0 H ALA A 45 0.799 2.306 9.180 1.00 0.00 H new ATOM 0 HA ALA A 45 2.799 0.401 9.916 1.00 0.00 H new ATOM 0 HB1 ALA A 45 4.537 1.094 8.337 1.00 0.00 H new ATOM 0 HB2 ALA A 45 3.188 0.293 7.498 1.00 0.00 H new ATOM 0 HB3 ALA A 45 3.347 2.064 7.438 1.00 0.00 H new ATOM 661 N ALA A 46 3.867 2.234 11.166 1.00 0.00 N ATOM 662 CA ALA A 46 4.327 3.281 12.064 1.00 0.00 C ATOM 663 C ALA A 46 4.845 4.461 11.241 1.00 0.00 C ATOM 664 O ALA A 46 4.514 5.612 11.520 1.00 0.00 O ATOM 665 CB ALA A 46 5.390 2.714 13.006 1.00 0.00 C ATOM 0 H ALA A 46 4.244 1.307 11.364 1.00 0.00 H new ATOM 0 HA ALA A 46 3.506 3.646 12.682 1.00 0.00 H new ATOM 0 HB1 ALA A 46 5.735 3.499 13.679 1.00 0.00 H new ATOM 0 HB2 ALA A 46 4.962 1.898 13.589 1.00 0.00 H new ATOM 0 HB3 ALA A 46 6.231 2.341 12.422 1.00 0.00 H new ATOM 671 N THR A 47 5.652 4.134 10.239 1.00 0.00 N ATOM 672 CA THR A 47 6.221 5.153 9.373 1.00 0.00 C ATOM 673 C THR A 47 6.683 4.534 8.053 1.00 0.00 C ATOM 674 O THR A 47 6.873 3.321 7.966 1.00 0.00 O ATOM 675 CB THR A 47 7.345 5.852 10.142 1.00 0.00 C ATOM 676 OG1 THR A 47 8.199 4.790 10.552 1.00 0.00 O ATOM 677 CG2 THR A 47 6.859 6.469 11.455 1.00 0.00 C ATOM 0 H THR A 47 5.924 3.178 10.009 1.00 0.00 H new ATOM 0 HA THR A 47 5.477 5.902 9.102 1.00 0.00 H new ATOM 0 HB THR A 47 7.784 6.629 9.516 1.00 0.00 H new ATOM 0 HG1 THR A 47 8.956 5.155 11.056 1.00 0.00 H new ATOM 0 HG21 THR A 47 7.695 6.952 11.961 1.00 0.00 H new ATOM 0 HG22 THR A 47 6.086 7.208 11.245 1.00 0.00 H new ATOM 0 HG23 THR A 47 6.450 5.687 12.095 1.00 0.00 H new ATOM 685 N CYS A 48 6.846 5.393 7.059 1.00 0.00 N ATOM 686 CA CYS A 48 7.281 4.946 5.746 1.00 0.00 C ATOM 687 C CYS A 48 8.311 3.829 5.936 1.00 0.00 C ATOM 688 O CYS A 48 9.483 4.099 6.195 1.00 0.00 O ATOM 689 CB CYS A 48 7.838 6.100 4.911 1.00 0.00 C ATOM 690 SG CYS A 48 6.598 6.630 3.674 1.00 0.00 S ATOM 0 H CYS A 48 6.685 6.397 7.136 1.00 0.00 H new ATOM 0 HA CYS A 48 6.427 4.561 5.189 1.00 0.00 H new ATOM 0 HB2 CYS A 48 8.098 6.937 5.559 1.00 0.00 H new ATOM 0 HB3 CYS A 48 8.754 5.788 4.410 1.00 0.00 H new ATOM 0 HG CYS A 48 5.409 6.303 4.084 1.00 0.00 H new ATOM 696 N PRO A 49 7.824 2.567 5.796 1.00 0.00 N ATOM 697 CA PRO A 49 8.689 1.410 5.949 1.00 0.00 C ATOM 698 C PRO A 49 9.591 1.236 4.727 1.00 0.00 C ATOM 699 O PRO A 49 10.386 0.298 4.666 1.00 0.00 O ATOM 700 CB PRO A 49 7.743 0.239 6.163 1.00 0.00 C ATOM 701 CG PRO A 49 6.386 0.702 5.659 1.00 0.00 C ATOM 702 CD PRO A 49 6.442 2.211 5.488 1.00 0.00 C ATOM 0 HA PRO A 49 9.378 1.506 6.788 1.00 0.00 H new ATOM 0 HB2 PRO A 49 8.082 -0.642 5.618 1.00 0.00 H new ATOM 0 HB3 PRO A 49 7.695 -0.037 7.216 1.00 0.00 H new ATOM 0 HG2 PRO A 49 6.146 0.219 4.712 1.00 0.00 H new ATOM 0 HG3 PRO A 49 5.602 0.427 6.365 1.00 0.00 H new ATOM 0 HD2 PRO A 49 6.174 2.505 4.473 1.00 0.00 H new ATOM 0 HD3 PRO A 49 5.745 2.712 6.160 1.00 0.00 H new ATOM 710 N SER A 50 9.440 2.153 3.782 1.00 0.00 N ATOM 711 CA SER A 50 10.233 2.110 2.565 1.00 0.00 C ATOM 712 C SER A 50 11.562 1.401 2.829 1.00 0.00 C ATOM 713 O SER A 50 12.177 1.597 3.877 1.00 0.00 O ATOM 714 CB SER A 50 10.481 3.519 2.021 1.00 0.00 C ATOM 715 OG SER A 50 10.042 3.656 0.672 1.00 0.00 O ATOM 0 H SER A 50 8.781 2.930 3.835 1.00 0.00 H new ATOM 0 HA SER A 50 9.676 1.551 1.813 1.00 0.00 H new ATOM 0 HB2 SER A 50 9.962 4.245 2.646 1.00 0.00 H new ATOM 0 HB3 SER A 50 11.545 3.749 2.081 1.00 0.00 H new ATOM 0 HG SER A 50 9.092 3.897 0.660 1.00 0.00 H new ATOM 721 N LYS A 51 11.966 0.592 1.861 1.00 0.00 N ATOM 722 CA LYS A 51 13.211 -0.148 1.977 1.00 0.00 C ATOM 723 C LYS A 51 14.332 0.638 1.292 1.00 0.00 C ATOM 724 O LYS A 51 14.701 1.720 1.742 1.00 0.00 O ATOM 725 CB LYS A 51 13.041 -1.571 1.440 1.00 0.00 C ATOM 726 CG LYS A 51 12.550 -2.515 2.538 1.00 0.00 C ATOM 727 CD LYS A 51 13.722 -3.079 3.343 1.00 0.00 C ATOM 728 CE LYS A 51 14.332 -2.007 4.248 1.00 0.00 C ATOM 729 NZ LYS A 51 13.297 -1.434 5.140 1.00 0.00 N ATOM 0 H LYS A 51 11.454 0.433 0.993 1.00 0.00 H new ATOM 0 HA LYS A 51 13.492 -0.259 3.024 1.00 0.00 H new ATOM 0 HB2 LYS A 51 12.331 -1.569 0.613 1.00 0.00 H new ATOM 0 HB3 LYS A 51 13.991 -1.930 1.044 1.00 0.00 H new ATOM 0 HG2 LYS A 51 11.871 -1.982 3.203 1.00 0.00 H new ATOM 0 HG3 LYS A 51 11.984 -3.333 2.093 1.00 0.00 H new ATOM 0 HD2 LYS A 51 13.381 -3.920 3.948 1.00 0.00 H new ATOM 0 HD3 LYS A 51 14.483 -3.463 2.664 1.00 0.00 H new ATOM 0 HE2 LYS A 51 15.136 -2.439 4.844 1.00 0.00 H new ATOM 0 HE3 LYS A 51 14.775 -1.218 3.640 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 13.752 -0.849 5.869 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 12.645 -0.846 4.582 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 12.766 -2.204 5.595 1.00 0.00 H new ATOM 743 N LYS A 52 14.843 0.060 0.214 1.00 0.00 N ATOM 744 CA LYS A 52 15.913 0.692 -0.537 1.00 0.00 C ATOM 745 C LYS A 52 15.900 0.167 -1.975 1.00 0.00 C ATOM 746 O LYS A 52 15.867 0.950 -2.925 1.00 0.00 O ATOM 747 CB LYS A 52 17.252 0.500 0.175 1.00 0.00 C ATOM 748 CG LYS A 52 17.195 1.035 1.608 1.00 0.00 C ATOM 749 CD LYS A 52 16.930 -0.096 2.604 1.00 0.00 C ATOM 750 CE LYS A 52 16.836 0.443 4.032 1.00 0.00 C ATOM 751 NZ LYS A 52 17.835 -0.216 4.903 1.00 0.00 N ATOM 0 H LYS A 52 14.535 -0.839 -0.156 1.00 0.00 H new ATOM 0 HA LYS A 52 15.757 1.770 -0.589 1.00 0.00 H new ATOM 0 HB2 LYS A 52 17.512 -0.558 0.189 1.00 0.00 H new ATOM 0 HB3 LYS A 52 18.038 1.014 -0.378 1.00 0.00 H new ATOM 0 HG2 LYS A 52 18.135 1.528 1.854 1.00 0.00 H new ATOM 0 HG3 LYS A 52 16.410 1.787 1.689 1.00 0.00 H new ATOM 0 HD2 LYS A 52 16.003 -0.606 2.342 1.00 0.00 H new ATOM 0 HD3 LYS A 52 17.729 -0.835 2.542 1.00 0.00 H new ATOM 0 HE2 LYS A 52 17.000 1.521 4.032 1.00 0.00 H new ATOM 0 HE3 LYS A 52 15.834 0.273 4.426 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 17.757 0.162 5.869 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 17.661 -1.241 4.917 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 18.791 -0.033 4.536 1.00 0.00 H new ATOM 765 N PRO A 53 15.928 -1.187 -2.093 1.00 0.00 N ATOM 766 CA PRO A 53 15.920 -1.823 -3.399 1.00 0.00 C ATOM 767 C PRO A 53 14.527 -1.762 -4.030 1.00 0.00 C ATOM 768 O PRO A 53 14.090 -0.703 -4.474 1.00 0.00 O ATOM 769 CB PRO A 53 16.394 -3.246 -3.145 1.00 0.00 C ATOM 770 CG PRO A 53 16.206 -3.489 -1.657 1.00 0.00 C ATOM 771 CD PRO A 53 15.967 -2.143 -0.991 1.00 0.00 C ATOM 0 HA PRO A 53 16.570 -1.321 -4.116 1.00 0.00 H new ATOM 0 HB2 PRO A 53 15.818 -3.960 -3.733 1.00 0.00 H new ATOM 0 HB3 PRO A 53 17.439 -3.367 -3.431 1.00 0.00 H new ATOM 0 HG2 PRO A 53 15.362 -4.156 -1.483 1.00 0.00 H new ATOM 0 HG3 PRO A 53 17.087 -3.973 -1.235 1.00 0.00 H new ATOM 0 HD2 PRO A 53 15.033 -2.139 -0.430 1.00 0.00 H new ATOM 0 HD3 PRO A 53 16.763 -1.903 -0.286 1.00 0.00 H new ATOM 779 N TYR A 54 13.870 -2.913 -4.051 1.00 0.00 N ATOM 780 CA TYR A 54 12.537 -3.003 -4.622 1.00 0.00 C ATOM 781 C TYR A 54 11.477 -2.556 -3.612 1.00 0.00 C ATOM 782 O TYR A 54 10.650 -1.696 -3.915 1.00 0.00 O ATOM 783 CB TYR A 54 12.318 -4.480 -4.951 1.00 0.00 C ATOM 784 CG TYR A 54 12.936 -5.442 -3.935 1.00 0.00 C ATOM 785 CD1 TYR A 54 14.296 -5.679 -3.947 1.00 0.00 C ATOM 786 CD2 TYR A 54 12.134 -6.075 -3.006 1.00 0.00 C ATOM 787 CE1 TYR A 54 14.878 -6.584 -2.990 1.00 0.00 C ATOM 788 CE2 TYR A 54 12.715 -6.981 -2.051 1.00 0.00 C ATOM 789 CZ TYR A 54 14.058 -7.191 -2.089 1.00 0.00 C ATOM 790 OH TYR A 54 14.608 -8.046 -1.186 1.00 0.00 O ATOM 0 H TYR A 54 14.236 -3.791 -3.682 1.00 0.00 H new ATOM 0 HA TYR A 54 12.451 -2.362 -5.499 1.00 0.00 H new ATOM 0 HB2 TYR A 54 11.247 -4.673 -5.014 1.00 0.00 H new ATOM 0 HB3 TYR A 54 12.738 -4.689 -5.935 1.00 0.00 H new ATOM 0 HD1 TYR A 54 14.924 -5.186 -4.674 1.00 0.00 H new ATOM 0 HD2 TYR A 54 11.070 -5.890 -2.996 1.00 0.00 H new ATOM 0 HE1 TYR A 54 15.941 -6.777 -2.987 1.00 0.00 H new ATOM 0 HE2 TYR A 54 12.098 -7.483 -1.320 1.00 0.00 H new ATOM 0 HH TYR A 54 13.905 -8.405 -0.605 1.00 0.00 H new ATOM 800 N GLU A 55 11.538 -3.157 -2.433 1.00 0.00 N ATOM 801 CA GLU A 55 10.593 -2.832 -1.377 1.00 0.00 C ATOM 802 C GLU A 55 10.297 -1.331 -1.375 1.00 0.00 C ATOM 803 O GLU A 55 10.741 -0.609 -0.485 1.00 0.00 O ATOM 804 CB GLU A 55 11.114 -3.291 -0.015 1.00 0.00 C ATOM 805 CG GLU A 55 10.716 -4.741 0.266 1.00 0.00 C ATOM 806 CD GLU A 55 11.026 -5.124 1.715 1.00 0.00 C ATOM 807 OE1 GLU A 55 10.298 -4.716 2.632 1.00 0.00 O ATOM 808 OE2 GLU A 55 12.063 -5.875 1.870 1.00 0.00 O ATOM 0 H GLU A 55 12.227 -3.867 -2.185 1.00 0.00 H new ATOM 0 HA GLU A 55 9.663 -3.366 -1.571 1.00 0.00 H new ATOM 0 HB2 GLU A 55 12.200 -3.196 0.013 1.00 0.00 H new ATOM 0 HB3 GLU A 55 10.717 -2.643 0.767 1.00 0.00 H new ATOM 0 HG2 GLU A 55 9.652 -4.874 0.071 1.00 0.00 H new ATOM 0 HG3 GLU A 55 11.250 -5.406 -0.412 1.00 0.00 H new ATOM 816 N GLU A 56 9.548 -0.907 -2.381 1.00 0.00 N ATOM 817 CA GLU A 56 9.187 0.496 -2.507 1.00 0.00 C ATOM 818 C GLU A 56 7.909 0.787 -1.717 1.00 0.00 C ATOM 819 O GLU A 56 6.808 0.702 -2.257 1.00 0.00 O ATOM 820 CB GLU A 56 9.025 0.891 -3.976 1.00 0.00 C ATOM 821 CG GLU A 56 9.929 2.076 -4.327 1.00 0.00 C ATOM 822 CD GLU A 56 9.203 3.066 -5.241 1.00 0.00 C ATOM 823 OE1 GLU A 56 8.249 3.729 -4.804 1.00 0.00 O ATOM 824 OE2 GLU A 56 9.663 3.136 -6.444 1.00 0.00 O ATOM 0 H GLU A 56 9.180 -1.510 -3.117 1.00 0.00 H new ATOM 0 HA GLU A 56 9.995 1.098 -2.090 1.00 0.00 H new ATOM 0 HB2 GLU A 56 9.269 0.041 -4.614 1.00 0.00 H new ATOM 0 HB3 GLU A 56 7.985 1.151 -4.174 1.00 0.00 H new ATOM 0 HG2 GLU A 56 10.243 2.581 -3.414 1.00 0.00 H new ATOM 0 HG3 GLU A 56 10.832 1.716 -4.819 1.00 0.00 H new ATOM 832 N VAL A 57 8.100 1.126 -0.450 1.00 0.00 N ATOM 833 CA VAL A 57 6.977 1.432 0.420 1.00 0.00 C ATOM 834 C VAL A 57 6.791 2.948 0.493 1.00 0.00 C ATOM 835 O VAL A 57 7.718 3.705 0.209 1.00 0.00 O ATOM 836 CB VAL A 57 7.188 0.788 1.793 1.00 0.00 C ATOM 837 CG1 VAL A 57 5.861 0.643 2.541 1.00 0.00 C ATOM 838 CG2 VAL A 57 7.895 -0.563 1.661 1.00 0.00 C ATOM 0 H VAL A 57 9.015 1.195 -0.005 1.00 0.00 H new ATOM 0 HA VAL A 57 6.056 1.011 0.016 1.00 0.00 H new ATOM 0 HB VAL A 57 7.830 1.447 2.377 1.00 0.00 H new ATOM 0 HG11 VAL A 57 6.040 0.183 3.513 1.00 0.00 H new ATOM 0 HG12 VAL A 57 5.413 1.627 2.682 1.00 0.00 H new ATOM 0 HG13 VAL A 57 5.183 0.016 1.962 1.00 0.00 H new ATOM 0 HG21 VAL A 57 8.033 -1.000 2.650 1.00 0.00 H new ATOM 0 HG22 VAL A 57 7.289 -1.232 1.050 1.00 0.00 H new ATOM 0 HG23 VAL A 57 8.867 -0.420 1.189 1.00 0.00 H new ATOM 848 N THR A 58 5.587 3.347 0.876 1.00 0.00 N ATOM 849 CA THR A 58 5.266 4.759 0.990 1.00 0.00 C ATOM 850 C THR A 58 4.577 5.044 2.325 1.00 0.00 C ATOM 851 O THR A 58 4.758 4.306 3.292 1.00 0.00 O ATOM 852 CB THR A 58 4.425 5.152 -0.225 1.00 0.00 C ATOM 853 OG1 THR A 58 4.951 4.357 -1.285 1.00 0.00 O ATOM 854 CG2 THR A 58 4.682 6.591 -0.677 1.00 0.00 C ATOM 0 H THR A 58 4.821 2.716 1.112 1.00 0.00 H new ATOM 0 HA THR A 58 6.168 5.371 0.990 1.00 0.00 H new ATOM 0 HB THR A 58 3.368 5.030 0.013 1.00 0.00 H new ATOM 0 HG1 THR A 58 4.672 3.425 -1.164 1.00 0.00 H new ATOM 0 HG21 THR A 58 4.059 6.817 -1.543 1.00 0.00 H new ATOM 0 HG22 THR A 58 4.438 7.276 0.135 1.00 0.00 H new ATOM 0 HG23 THR A 58 5.732 6.706 -0.946 1.00 0.00 H new ATOM 862 N CYS A 59 3.799 6.117 2.336 1.00 0.00 N ATOM 863 CA CYS A 59 3.081 6.510 3.536 1.00 0.00 C ATOM 864 C CYS A 59 1.694 7.009 3.126 1.00 0.00 C ATOM 865 O CYS A 59 1.390 7.097 1.938 1.00 0.00 O ATOM 866 CB CYS A 59 3.852 7.559 4.339 1.00 0.00 C ATOM 867 SG CYS A 59 4.750 6.759 5.717 1.00 0.00 S ATOM 0 H CYS A 59 3.650 6.727 1.532 1.00 0.00 H new ATOM 0 HA CYS A 59 2.974 5.650 4.197 1.00 0.00 H new ATOM 0 HB2 CYS A 59 4.556 8.080 3.690 1.00 0.00 H new ATOM 0 HB3 CYS A 59 3.163 8.308 4.730 1.00 0.00 H new ATOM 0 HG CYS A 59 6.011 7.067 5.650 1.00 0.00 H new ATOM 873 N CYS A 60 0.891 7.322 4.132 1.00 0.00 N ATOM 874 CA CYS A 60 -0.456 7.809 3.892 1.00 0.00 C ATOM 875 C CYS A 60 -1.141 8.017 5.243 1.00 0.00 C ATOM 876 O CYS A 60 -1.423 7.054 5.955 1.00 0.00 O ATOM 877 CB CYS A 60 -1.248 6.861 2.989 1.00 0.00 C ATOM 878 SG CYS A 60 -2.921 6.593 3.679 1.00 0.00 S ATOM 0 H CYS A 60 1.148 7.248 5.116 1.00 0.00 H new ATOM 0 HA CYS A 60 -0.412 8.759 3.360 1.00 0.00 H new ATOM 0 HB2 CYS A 60 -1.322 7.279 1.985 1.00 0.00 H new ATOM 0 HB3 CYS A 60 -0.725 5.909 2.900 1.00 0.00 H new ATOM 0 HG CYS A 60 -2.845 6.488 4.973 1.00 0.00 H new ATOM 884 N SER A 61 -1.389 9.280 5.558 1.00 0.00 N ATOM 885 CA SER A 61 -2.036 9.627 6.811 1.00 0.00 C ATOM 886 C SER A 61 -3.469 10.097 6.550 1.00 0.00 C ATOM 887 O SER A 61 -4.366 9.836 7.348 1.00 0.00 O ATOM 888 CB SER A 61 -1.250 10.707 7.556 1.00 0.00 C ATOM 889 OG SER A 61 -1.588 12.017 7.109 1.00 0.00 O ATOM 0 H SER A 61 -1.153 10.076 4.966 1.00 0.00 H new ATOM 0 HA SER A 61 -2.063 8.737 7.439 1.00 0.00 H new ATOM 0 HB2 SER A 61 -1.447 10.627 8.625 1.00 0.00 H new ATOM 0 HB3 SER A 61 -0.182 10.540 7.415 1.00 0.00 H new ATOM 0 HG SER A 61 -1.066 12.678 7.610 1.00 0.00 H new ATOM 895 N THR A 62 -3.637 10.781 5.428 1.00 0.00 N ATOM 896 CA THR A 62 -4.944 11.290 5.052 1.00 0.00 C ATOM 897 C THR A 62 -5.999 10.189 5.167 1.00 0.00 C ATOM 898 O THR A 62 -5.666 9.005 5.179 1.00 0.00 O ATOM 899 CB THR A 62 -4.834 11.881 3.644 1.00 0.00 C ATOM 900 OG1 THR A 62 -3.496 11.589 3.248 1.00 0.00 O ATOM 901 CG2 THR A 62 -4.897 13.410 3.644 1.00 0.00 C ATOM 0 H THR A 62 -2.890 10.994 4.767 1.00 0.00 H new ATOM 0 HA THR A 62 -5.270 12.080 5.728 1.00 0.00 H new ATOM 0 HB THR A 62 -5.636 11.485 3.021 1.00 0.00 H new ATOM 0 HG1 THR A 62 -3.258 10.684 3.540 1.00 0.00 H new ATOM 0 HG21 THR A 62 -4.815 13.778 2.621 1.00 0.00 H new ATOM 0 HG22 THR A 62 -5.846 13.735 4.071 1.00 0.00 H new ATOM 0 HG23 THR A 62 -4.076 13.808 4.240 1.00 0.00 H new ATOM 909 N ASP A 63 -7.250 10.618 5.249 1.00 0.00 N ATOM 910 CA ASP A 63 -8.356 9.683 5.364 1.00 0.00 C ATOM 911 C ASP A 63 -8.461 8.862 4.075 1.00 0.00 C ATOM 912 O ASP A 63 -8.932 9.363 3.054 1.00 0.00 O ATOM 913 CB ASP A 63 -9.682 10.418 5.565 1.00 0.00 C ATOM 914 CG ASP A 63 -10.109 10.594 7.023 1.00 0.00 C ATOM 915 OD1 ASP A 63 -9.974 11.682 7.602 1.00 0.00 O ATOM 916 OD2 ASP A 63 -10.607 9.540 7.575 1.00 0.00 O ATOM 0 H ASP A 63 -7.522 11.601 5.238 1.00 0.00 H new ATOM 0 HA ASP A 63 -8.166 9.042 6.225 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -9.608 11.402 5.102 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -10.465 9.875 5.036 1.00 0.00 H new ATOM 922 N LYS A 64 -8.014 7.619 4.164 1.00 0.00 N ATOM 923 CA LYS A 64 -8.053 6.726 3.019 1.00 0.00 C ATOM 924 C LYS A 64 -7.142 7.277 1.919 1.00 0.00 C ATOM 925 O LYS A 64 -7.568 7.430 0.776 1.00 0.00 O ATOM 926 CB LYS A 64 -9.495 6.496 2.566 1.00 0.00 C ATOM 927 CG LYS A 64 -10.329 5.874 3.686 1.00 0.00 C ATOM 928 CD LYS A 64 -11.815 5.862 3.323 1.00 0.00 C ATOM 929 CE LYS A 64 -12.636 5.142 4.396 1.00 0.00 C ATOM 930 NZ LYS A 64 -13.617 4.226 3.769 1.00 0.00 N ATOM 0 H LYS A 64 -7.623 7.209 5.012 1.00 0.00 H new ATOM 0 HA LYS A 64 -7.670 5.742 3.289 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -9.939 7.443 2.260 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -9.506 5.842 1.694 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -9.989 4.856 3.874 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -10.181 6.435 4.609 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -12.174 6.885 3.211 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -11.954 5.368 2.361 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -11.973 4.580 5.054 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -13.156 5.872 5.016 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -14.166 3.745 4.510 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -14.260 4.771 3.160 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -13.114 3.518 3.196 1.00 0.00 H new ATOM 944 N CYS A 65 -5.907 7.559 2.303 1.00 0.00 N ATOM 945 CA CYS A 65 -4.933 8.089 1.365 1.00 0.00 C ATOM 946 C CYS A 65 -4.036 6.940 0.903 1.00 0.00 C ATOM 947 O CYS A 65 -2.880 7.156 0.540 1.00 0.00 O ATOM 948 CB CYS A 65 -4.123 9.235 1.976 1.00 0.00 C ATOM 949 SG CYS A 65 -3.697 8.845 3.711 1.00 0.00 S ATOM 0 H CYS A 65 -5.558 7.430 3.253 1.00 0.00 H new ATOM 0 HA CYS A 65 -5.449 8.515 0.504 1.00 0.00 H new ATOM 0 HB2 CYS A 65 -3.214 9.397 1.397 1.00 0.00 H new ATOM 0 HB3 CYS A 65 -4.697 10.160 1.933 1.00 0.00 H new ATOM 0 HG CYS A 65 -3.878 7.576 3.927 1.00 0.00 H new ATOM 955 N ASN A 66 -4.601 5.741 0.930 1.00 0.00 N ATOM 956 CA ASN A 66 -3.867 4.558 0.518 1.00 0.00 C ATOM 957 C ASN A 66 -4.441 4.040 -0.803 1.00 0.00 C ATOM 958 O ASN A 66 -4.110 2.938 -1.237 1.00 0.00 O ATOM 959 CB ASN A 66 -3.993 3.443 1.558 1.00 0.00 C ATOM 960 CG ASN A 66 -2.629 3.097 2.159 1.00 0.00 C ATOM 961 OD1 ASN A 66 -2.382 1.991 2.609 1.00 0.00 O ATOM 962 ND2 ASN A 66 -1.759 4.102 2.139 1.00 0.00 N ATOM 0 H ASN A 66 -5.559 5.565 1.231 1.00 0.00 H new ATOM 0 HA ASN A 66 -2.818 4.833 0.409 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -4.675 3.754 2.349 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -4.426 2.556 1.095 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -0.820 3.971 2.515 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -2.030 5.004 1.747 1.00 0.00 H new ATOM 969 N PRO A 67 -5.313 4.880 -1.419 1.00 0.00 N ATOM 970 CA PRO A 67 -5.938 4.520 -2.680 1.00 0.00 C ATOM 971 C PRO A 67 -4.945 4.645 -3.838 1.00 0.00 C ATOM 972 O PRO A 67 -5.079 5.529 -4.683 1.00 0.00 O ATOM 973 CB PRO A 67 -7.127 5.456 -2.814 1.00 0.00 C ATOM 974 CG PRO A 67 -6.859 6.609 -1.860 1.00 0.00 C ATOM 975 CD PRO A 67 -5.729 6.194 -0.933 1.00 0.00 C ATOM 0 HA PRO A 67 -6.264 3.480 -2.706 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -7.230 5.813 -3.839 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -8.056 4.946 -2.559 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -6.588 7.508 -2.414 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -7.755 6.846 -1.287 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -4.906 6.908 -0.968 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -6.065 6.145 0.103 1.00 0.00 H new ATOM 983 N HIS A 68 -3.971 3.746 -3.840 1.00 0.00 N ATOM 984 CA HIS A 68 -2.957 3.746 -4.880 1.00 0.00 C ATOM 985 C HIS A 68 -3.602 4.078 -6.227 1.00 0.00 C ATOM 986 O HIS A 68 -4.806 3.899 -6.404 1.00 0.00 O ATOM 987 CB HIS A 68 -2.198 2.417 -4.897 1.00 0.00 C ATOM 988 CG HIS A 68 -3.091 1.200 -4.945 1.00 0.00 C ATOM 989 ND1 HIS A 68 -2.987 0.234 -5.930 1.00 0.00 N ATOM 990 CD2 HIS A 68 -4.102 0.804 -4.120 1.00 0.00 C ATOM 991 CE1 HIS A 68 -3.900 -0.699 -5.699 1.00 0.00 C ATOM 992 NE2 HIS A 68 -4.590 -0.342 -4.576 1.00 0.00 N ATOM 0 H HIS A 68 -3.863 3.014 -3.138 1.00 0.00 H new ATOM 0 HA HIS A 68 -2.217 4.519 -4.672 1.00 0.00 H new ATOM 0 HB2 HIS A 68 -1.533 2.401 -5.760 1.00 0.00 H new ATOM 0 HB3 HIS A 68 -1.569 2.358 -4.009 1.00 0.00 H new ATOM 0 HD1 HIS A 68 -2.321 0.239 -6.703 1.00 0.00 H new ATOM 0 HD2 HIS A 68 -4.447 1.334 -3.244 1.00 0.00 H new ATOM 0 HE1 HIS A 68 -4.068 -1.585 -6.294 1.00 0.00 H new ATOM 1001 N PRO A 69 -2.750 4.567 -7.167 1.00 0.00 N ATOM 1002 CA PRO A 69 -3.224 4.925 -8.493 1.00 0.00 C ATOM 1003 C PRO A 69 -3.492 3.676 -9.336 1.00 0.00 C ATOM 1004 O PRO A 69 -2.558 3.044 -9.829 1.00 0.00 O ATOM 1005 CB PRO A 69 -2.135 5.811 -9.074 1.00 0.00 C ATOM 1006 CG PRO A 69 -0.890 5.540 -8.246 1.00 0.00 C ATOM 1007 CD PRO A 69 -1.317 4.790 -6.994 1.00 0.00 C ATOM 0 HA PRO A 69 -4.178 5.452 -8.470 1.00 0.00 H new ATOM 0 HB2 PRO A 69 -1.963 5.579 -10.125 1.00 0.00 H new ATOM 0 HB3 PRO A 69 -2.418 6.862 -9.021 1.00 0.00 H new ATOM 0 HG2 PRO A 69 -0.172 4.951 -8.817 1.00 0.00 H new ATOM 0 HG3 PRO A 69 -0.397 6.475 -7.981 1.00 0.00 H new ATOM 0 HD2 PRO A 69 -0.779 3.848 -6.894 1.00 0.00 H new ATOM 0 HD3 PRO A 69 -1.112 5.371 -6.095 1.00 0.00 H new ATOM 1015 N LYS A 70 -4.770 3.359 -9.476 1.00 0.00 N ATOM 1016 CA LYS A 70 -5.173 2.197 -10.250 1.00 0.00 C ATOM 1017 C LYS A 70 -6.639 2.346 -10.662 1.00 0.00 C ATOM 1018 O LYS A 70 -7.011 2.000 -11.782 1.00 0.00 O ATOM 1019 CB LYS A 70 -4.879 0.910 -9.476 1.00 0.00 C ATOM 1020 CG LYS A 70 -4.007 1.193 -8.252 1.00 0.00 C ATOM 1021 CD LYS A 70 -4.731 2.112 -7.264 1.00 0.00 C ATOM 1022 CE LYS A 70 -6.223 1.782 -7.201 1.00 0.00 C ATOM 1023 NZ LYS A 70 -6.967 2.869 -6.525 1.00 0.00 N ATOM 0 H LYS A 70 -5.541 3.887 -9.066 1.00 0.00 H new ATOM 0 HA LYS A 70 -4.590 2.130 -11.168 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -5.815 0.449 -9.161 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -4.376 0.196 -10.128 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -3.749 0.255 -7.760 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -3.072 1.656 -8.566 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -4.289 2.006 -6.273 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -4.597 3.151 -7.564 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -6.613 1.639 -8.209 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -6.372 0.844 -6.666 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -7.811 3.111 -7.083 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -7.257 2.554 -5.577 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -6.356 3.707 -6.439 1.00 0.00 H new ATOM 1037 N GLN A 71 -7.431 2.861 -9.733 1.00 0.00 N ATOM 1038 CA GLN A 71 -8.848 3.061 -9.985 1.00 0.00 C ATOM 1039 C GLN A 71 -9.049 3.976 -11.194 1.00 0.00 C ATOM 1040 O GLN A 71 -9.394 5.147 -11.040 1.00 0.00 O ATOM 1041 CB GLN A 71 -9.552 3.623 -8.749 1.00 0.00 C ATOM 1042 CG GLN A 71 -9.889 2.507 -7.756 1.00 0.00 C ATOM 1043 CD GLN A 71 -10.346 3.087 -6.416 1.00 0.00 C ATOM 1044 OE1 GLN A 71 -11.313 3.824 -6.326 1.00 0.00 O ATOM 1045 NE2 GLN A 71 -9.596 2.714 -5.381 1.00 0.00 N ATOM 0 H GLN A 71 -7.118 3.146 -8.805 1.00 0.00 H new ATOM 0 HA GLN A 71 -9.296 2.093 -10.208 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -8.913 4.363 -8.267 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -10.466 4.137 -9.048 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -10.673 1.873 -8.169 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -9.015 1.874 -7.604 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -8.799 2.094 -5.526 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -9.818 3.048 -4.443 1.00 0.00 H new ATOM 1054 N ARG A 72 -8.824 3.409 -12.371 1.00 0.00 N ATOM 1055 CA ARG A 72 -8.976 4.160 -13.605 1.00 0.00 C ATOM 1056 C ARG A 72 -9.210 3.209 -14.779 1.00 0.00 C ATOM 1057 O ARG A 72 -8.497 2.219 -14.933 1.00 0.00 O ATOM 1058 CB ARG A 72 -7.737 5.011 -13.886 1.00 0.00 C ATOM 1059 CG ARG A 72 -7.624 5.339 -15.376 1.00 0.00 C ATOM 1060 CD ARG A 72 -6.984 6.713 -15.590 1.00 0.00 C ATOM 1061 NE ARG A 72 -7.518 7.334 -16.822 1.00 0.00 N ATOM 1062 CZ ARG A 72 -8.762 7.846 -16.934 1.00 0.00 C ATOM 1063 NH1 ARG A 72 -9.612 7.816 -15.885 1.00 0.00 N ATOM 1064 NH2 ARG A 72 -9.134 8.377 -18.083 1.00 0.00 N ATOM 0 H ARG A 72 -8.538 2.438 -12.495 1.00 0.00 H new ATOM 0 HA ARG A 72 -9.837 4.818 -13.490 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -7.787 5.935 -13.309 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -6.844 4.479 -13.558 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -7.028 4.575 -15.876 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -8.614 5.320 -15.832 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -7.186 7.355 -14.732 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -5.901 6.611 -15.664 1.00 0.00 H new ATOM 0 HE ARG A 72 -6.908 7.378 -17.638 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -9.316 7.404 -15.000 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -10.550 8.205 -15.978 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -8.485 8.396 -18.870 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -10.070 8.768 -18.185 1.00 0.00 H new ATOM 1078 N PRO A 73 -10.240 3.551 -15.600 1.00 0.00 N ATOM 1079 CA PRO A 73 -10.579 2.740 -16.755 1.00 0.00 C ATOM 1080 C PRO A 73 -9.567 2.945 -17.885 1.00 0.00 C ATOM 1081 O PRO A 73 -9.688 3.883 -18.670 1.00 0.00 O ATOM 1082 CB PRO A 73 -11.987 3.165 -17.137 1.00 0.00 C ATOM 1083 CG PRO A 73 -12.208 4.515 -16.476 1.00 0.00 C ATOM 1084 CD PRO A 73 -11.107 4.716 -15.447 1.00 0.00 C ATOM 0 HA PRO A 73 -10.544 1.672 -16.542 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -12.093 3.238 -18.219 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -12.722 2.437 -16.793 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -12.186 5.312 -17.219 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -13.187 4.551 -15.999 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -10.561 5.642 -15.627 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -11.514 4.777 -14.438 1.00 0.00 H new ATOM 1092 N GLY A 74 -8.590 2.050 -17.930 1.00 0.00 N ATOM 1093 CA GLY A 74 -7.557 2.122 -18.950 1.00 0.00 C ATOM 1094 C GLY A 74 -6.688 0.862 -18.939 1.00 0.00 C ATOM 1095 O GLY A 74 -5.850 0.674 -19.819 1.00 0.00 O ATOM 0 H GLY A 74 -8.492 1.272 -17.277 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -8.017 2.243 -19.931 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -6.934 3.000 -18.780 1.00 0.00 H new ATOM 1100 N HIS B 1 -7.363 -9.832 -10.941 1.00 0.00 N ATOM 1101 CA HIS B 1 -7.511 -9.984 -9.504 1.00 0.00 C ATOM 1102 C HIS B 1 -6.221 -9.545 -8.805 1.00 0.00 C ATOM 1103 O HIS B 1 -5.417 -10.381 -8.396 1.00 0.00 O ATOM 1104 CB HIS B 1 -7.918 -11.415 -9.149 1.00 0.00 C ATOM 1105 CG HIS B 1 -8.871 -12.045 -10.137 1.00 0.00 C ATOM 1106 ND1 HIS B 1 -10.237 -12.108 -9.926 1.00 0.00 N ATOM 1107 CD2 HIS B 1 -8.641 -12.638 -11.344 1.00 0.00 C ATOM 1108 CE1 HIS B 1 -10.793 -12.713 -10.965 1.00 0.00 C ATOM 1109 NE2 HIS B 1 -9.803 -13.043 -11.842 1.00 0.00 N ATOM 0 H1 HIS B 1 -8.302 -9.746 -11.380 1.00 0.00 H new ATOM 0 H2 HIS B 1 -6.806 -8.977 -11.144 1.00 0.00 H new ATOM 0 H3 HIS B 1 -6.874 -10.664 -11.330 1.00 0.00 H new ATOM 0 HA HIS B 1 -8.314 -9.339 -9.148 1.00 0.00 H new ATOM 0 HB2 HIS B 1 -7.021 -12.031 -9.081 1.00 0.00 H new ATOM 0 HB3 HIS B 1 -8.381 -11.416 -8.162 1.00 0.00 H new ATOM 0 HD2 HIS B 1 -7.676 -12.758 -11.815 1.00 0.00 H new ATOM 0 HE1 HIS B 1 -11.847 -12.910 -11.095 1.00 0.00 H new ATOM 0 HE2 HIS B 1 -9.933 -13.522 -12.733 1.00 0.00 H new ATOM 1118 N ARG B 2 -6.067 -8.234 -8.692 1.00 0.00 N ATOM 1119 CA ARG B 2 -4.890 -7.673 -8.050 1.00 0.00 C ATOM 1120 C ARG B 2 -5.057 -6.165 -7.858 1.00 0.00 C ATOM 1121 O ARG B 2 -6.013 -5.573 -8.360 1.00 0.00 O ATOM 1122 CB ARG B 2 -3.632 -7.938 -8.880 1.00 0.00 C ATOM 1123 CG ARG B 2 -2.782 -9.043 -8.249 1.00 0.00 C ATOM 1124 CD ARG B 2 -1.519 -8.466 -7.608 1.00 0.00 C ATOM 1125 NE ARG B 2 -1.021 -9.381 -6.558 1.00 0.00 N ATOM 1126 CZ ARG B 2 -1.724 -9.724 -5.457 1.00 0.00 C ATOM 1127 NH1 ARG B 2 -2.963 -9.230 -5.255 1.00 0.00 N ATOM 1128 NH2 ARG B 2 -1.182 -10.550 -4.582 1.00 0.00 N ATOM 0 H ARG B 2 -6.737 -7.545 -9.034 1.00 0.00 H new ATOM 0 HA ARG B 2 -4.780 -8.156 -7.079 1.00 0.00 H new ATOM 0 HB2 ARG B 2 -3.914 -8.225 -9.893 1.00 0.00 H new ATOM 0 HB3 ARG B 2 -3.045 -7.023 -8.959 1.00 0.00 H new ATOM 0 HG2 ARG B 2 -3.367 -9.571 -7.496 1.00 0.00 H new ATOM 0 HG3 ARG B 2 -2.507 -9.774 -9.009 1.00 0.00 H new ATOM 0 HD2 ARG B 2 -0.751 -8.318 -8.367 1.00 0.00 H new ATOM 0 HD3 ARG B 2 -1.734 -7.488 -7.178 1.00 0.00 H new ATOM 0 HE ARG B 2 -0.088 -9.778 -6.673 1.00 0.00 H new ATOM 0 HH11 ARG B 2 -3.375 -8.593 -5.936 1.00 0.00 H new ATOM 0 HH12 ARG B 2 -3.488 -9.494 -4.421 1.00 0.00 H new ATOM 0 HH21 ARG B 2 -0.245 -10.920 -4.742 1.00 0.00 H new ATOM 0 HH22 ARG B 2 -1.700 -10.819 -3.745 1.00 0.00 H new ATOM 1142 N TYR B 3 -4.114 -5.584 -7.131 1.00 0.00 N ATOM 1143 CA TYR B 3 -4.146 -4.157 -6.866 1.00 0.00 C ATOM 1144 C TYR B 3 -2.906 -3.464 -7.435 1.00 0.00 C ATOM 1145 O TYR B 3 -2.321 -2.599 -6.787 1.00 0.00 O ATOM 1146 CB TYR B 3 -4.144 -4.009 -5.343 1.00 0.00 C ATOM 1147 CG TYR B 3 -3.639 -5.247 -4.599 1.00 0.00 C ATOM 1148 CD1 TYR B 3 -4.500 -6.293 -4.335 1.00 0.00 C ATOM 1149 CD2 TYR B 3 -2.322 -5.318 -4.192 1.00 0.00 C ATOM 1150 CE1 TYR B 3 -4.025 -7.457 -3.635 1.00 0.00 C ATOM 1151 CE2 TYR B 3 -1.847 -6.483 -3.493 1.00 0.00 C ATOM 1152 CZ TYR B 3 -2.722 -7.495 -3.248 1.00 0.00 C ATOM 1153 OH TYR B 3 -2.273 -8.596 -2.588 1.00 0.00 O ATOM 0 H TYR B 3 -3.323 -6.077 -6.717 1.00 0.00 H new ATOM 0 HA TYR B 3 -5.022 -3.702 -7.329 1.00 0.00 H new ATOM 0 HB2 TYR B 3 -3.522 -3.156 -5.072 1.00 0.00 H new ATOM 0 HB3 TYR B 3 -5.157 -3.784 -5.009 1.00 0.00 H new ATOM 0 HD1 TYR B 3 -5.530 -6.238 -4.654 1.00 0.00 H new ATOM 0 HD2 TYR B 3 -1.648 -4.500 -4.398 1.00 0.00 H new ATOM 0 HE1 TYR B 3 -4.689 -8.282 -3.422 1.00 0.00 H new ATOM 0 HE2 TYR B 3 -0.819 -6.552 -3.170 1.00 0.00 H new ATOM 0 HH TYR B 3 -2.777 -8.706 -1.755 1.00 0.00 H new ATOM 1163 N TYR B 4 -2.541 -3.875 -8.642 1.00 0.00 N ATOM 1164 CA TYR B 4 -1.380 -3.306 -9.305 1.00 0.00 C ATOM 1165 C TYR B 4 -1.482 -1.781 -9.378 1.00 0.00 C ATOM 1166 O TYR B 4 -2.378 -1.186 -8.782 1.00 0.00 O ATOM 1167 CB TYR B 4 -1.385 -3.875 -10.725 1.00 0.00 C ATOM 1168 CG TYR B 4 -0.402 -5.027 -10.938 1.00 0.00 C ATOM 1169 CD1 TYR B 4 0.896 -4.763 -11.327 1.00 0.00 C ATOM 1170 CD2 TYR B 4 -0.811 -6.331 -10.741 1.00 0.00 C ATOM 1171 CE1 TYR B 4 1.822 -5.848 -11.527 1.00 0.00 C ATOM 1172 CE2 TYR B 4 0.116 -7.414 -10.941 1.00 0.00 C ATOM 1173 CZ TYR B 4 1.386 -7.120 -11.324 1.00 0.00 C ATOM 1174 OH TYR B 4 2.261 -8.144 -11.514 1.00 0.00 O ATOM 0 H TYR B 4 -3.028 -4.594 -9.177 1.00 0.00 H new ATOM 0 HA TYR B 4 -0.468 -3.551 -8.760 1.00 0.00 H new ATOM 0 HB2 TYR B 4 -2.391 -4.221 -10.963 1.00 0.00 H new ATOM 0 HB3 TYR B 4 -1.149 -3.075 -11.427 1.00 0.00 H new ATOM 0 HD1 TYR B 4 1.217 -3.743 -11.481 1.00 0.00 H new ATOM 0 HD2 TYR B 4 -1.826 -6.538 -10.437 1.00 0.00 H new ATOM 0 HE1 TYR B 4 2.840 -5.656 -11.831 1.00 0.00 H new ATOM 0 HE2 TYR B 4 -0.191 -8.438 -10.790 1.00 0.00 H new ATOM 0 HH TYR B 4 2.965 -8.103 -10.833 1.00 0.00 H new ATOM 1184 N GLU B 5 -0.552 -1.193 -10.117 1.00 0.00 N ATOM 1185 CA GLU B 5 -0.526 0.251 -10.276 1.00 0.00 C ATOM 1186 C GLU B 5 -1.087 0.645 -11.644 1.00 0.00 C ATOM 1187 O GLU B 5 -0.580 1.564 -12.286 1.00 0.00 O ATOM 1188 CB GLU B 5 0.889 0.799 -10.086 1.00 0.00 C ATOM 1189 CG GLU B 5 1.733 0.588 -11.344 1.00 0.00 C ATOM 1190 CD GLU B 5 2.453 1.878 -11.744 1.00 0.00 C ATOM 1191 OE1 GLU B 5 1.825 2.945 -11.804 1.00 0.00 O ATOM 1192 OE2 GLU B 5 3.711 1.744 -11.997 1.00 0.00 O ATOM 0 H GLU B 5 0.188 -1.690 -10.612 1.00 0.00 H new ATOM 0 HA GLU B 5 -1.157 0.692 -9.505 1.00 0.00 H new ATOM 0 HB2 GLU B 5 0.842 1.862 -9.849 1.00 0.00 H new ATOM 0 HB3 GLU B 5 1.363 0.304 -9.238 1.00 0.00 H new ATOM 0 HG2 GLU B 5 2.464 -0.201 -11.168 1.00 0.00 H new ATOM 0 HG3 GLU B 5 1.095 0.254 -12.163 1.00 0.00 H new ATOM 1200 N SER B 6 -2.124 -0.071 -12.051 1.00 0.00 N ATOM 1201 CA SER B 6 -2.758 0.191 -13.332 1.00 0.00 C ATOM 1202 C SER B 6 -4.218 -0.265 -13.296 1.00 0.00 C ATOM 1203 O SER B 6 -4.865 -0.369 -14.337 1.00 0.00 O ATOM 1204 CB SER B 6 -2.011 -0.508 -14.470 1.00 0.00 C ATOM 1205 OG SER B 6 -2.712 -0.411 -15.707 1.00 0.00 O ATOM 0 H SER B 6 -2.541 -0.833 -11.516 1.00 0.00 H new ATOM 0 HA SER B 6 -2.724 1.265 -13.517 1.00 0.00 H new ATOM 0 HB2 SER B 6 -1.021 -0.066 -14.579 1.00 0.00 H new ATOM 0 HB3 SER B 6 -1.865 -1.558 -14.217 1.00 0.00 H new ATOM 0 HG SER B 6 -3.649 -0.180 -15.535 1.00 0.00 H new ATOM 1211 N SER B 7 -4.695 -0.527 -12.087 1.00 0.00 N ATOM 1212 CA SER B 7 -6.066 -0.970 -11.903 1.00 0.00 C ATOM 1213 C SER B 7 -6.287 -1.392 -10.449 1.00 0.00 C ATOM 1214 O SER B 7 -5.333 -1.684 -9.731 1.00 0.00 O ATOM 1215 CB SER B 7 -6.403 -2.125 -12.848 1.00 0.00 C ATOM 1216 OG SER B 7 -7.622 -2.769 -12.489 1.00 0.00 O ATOM 0 H SER B 7 -4.156 -0.441 -11.226 1.00 0.00 H new ATOM 0 HA SER B 7 -6.730 -0.138 -12.139 1.00 0.00 H new ATOM 0 HB2 SER B 7 -6.478 -1.749 -13.868 1.00 0.00 H new ATOM 0 HB3 SER B 7 -5.591 -2.852 -12.836 1.00 0.00 H new ATOM 0 HG SER B 7 -8.324 -2.096 -12.366 1.00 0.00 H new ATOM 1222 N LEU B 8 -7.554 -1.410 -10.058 1.00 0.00 N ATOM 1223 CA LEU B 8 -7.913 -1.792 -8.703 1.00 0.00 C ATOM 1224 C LEU B 8 -8.900 -2.960 -8.751 1.00 0.00 C ATOM 1225 O LEU B 8 -8.966 -3.761 -7.819 1.00 0.00 O ATOM 1226 CB LEU B 8 -8.431 -0.580 -7.926 1.00 0.00 C ATOM 1227 CG LEU B 8 -8.660 -0.792 -6.427 1.00 0.00 C ATOM 1228 CD1 LEU B 8 -10.122 -1.133 -6.138 1.00 0.00 C ATOM 1229 CD2 LEU B 8 -7.705 -1.851 -5.872 1.00 0.00 C ATOM 0 H LEU B 8 -8.344 -1.166 -10.656 1.00 0.00 H new ATOM 0 HA LEU B 8 -7.035 -2.140 -8.159 1.00 0.00 H new ATOM 0 HB2 LEU B 8 -7.722 0.238 -8.053 1.00 0.00 H new ATOM 0 HB3 LEU B 8 -9.371 -0.260 -8.375 1.00 0.00 H new ATOM 0 HG LEU B 8 -8.440 0.143 -5.912 1.00 0.00 H new ATOM 0 HD11 LEU B 8 -10.257 -1.278 -5.066 1.00 0.00 H new ATOM 0 HD12 LEU B 8 -10.760 -0.316 -6.476 1.00 0.00 H new ATOM 0 HD13 LEU B 8 -10.393 -2.048 -6.665 1.00 0.00 H new ATOM 0 HD21 LEU B 8 -7.888 -1.983 -4.806 1.00 0.00 H new ATOM 0 HD22 LEU B 8 -7.871 -2.797 -6.388 1.00 0.00 H new ATOM 0 HD23 LEU B 8 -6.675 -1.529 -6.026 1.00 0.00 H new ATOM 1241 N GLU B 9 -9.641 -3.021 -9.847 1.00 0.00 N ATOM 1242 CA GLU B 9 -10.622 -4.078 -10.029 1.00 0.00 C ATOM 1243 C GLU B 9 -9.925 -5.391 -10.390 1.00 0.00 C ATOM 1244 O GLU B 9 -8.907 -5.388 -11.079 1.00 0.00 O ATOM 1245 CB GLU B 9 -11.654 -3.694 -11.091 1.00 0.00 C ATOM 1246 CG GLU B 9 -12.126 -2.251 -10.898 1.00 0.00 C ATOM 1247 CD GLU B 9 -13.628 -2.199 -10.613 1.00 0.00 C ATOM 1248 OE1 GLU B 9 -14.440 -2.230 -11.550 1.00 0.00 O ATOM 1249 OE2 GLU B 9 -13.944 -2.128 -9.364 1.00 0.00 O ATOM 0 H GLU B 9 -9.582 -2.356 -10.618 1.00 0.00 H new ATOM 0 HA GLU B 9 -11.155 -4.218 -9.088 1.00 0.00 H new ATOM 0 HB2 GLU B 9 -11.220 -3.809 -12.084 1.00 0.00 H new ATOM 0 HB3 GLU B 9 -12.507 -4.370 -11.036 1.00 0.00 H new ATOM 0 HG2 GLU B 9 -11.580 -1.793 -10.073 1.00 0.00 H new ATOM 0 HG3 GLU B 9 -11.901 -1.669 -11.792 1.00 0.00 H new ATOM 1257 N PRO B 10 -10.519 -6.512 -9.897 1.00 0.00 N ATOM 1258 CA PRO B 10 -9.966 -7.830 -10.162 1.00 0.00 C ATOM 1259 C PRO B 10 -10.256 -8.267 -11.599 1.00 0.00 C ATOM 1260 O PRO B 10 -10.272 -9.460 -11.898 1.00 0.00 O ATOM 1261 CB PRO B 10 -10.603 -8.740 -9.125 1.00 0.00 C ATOM 1262 CG PRO B 10 -11.832 -7.998 -8.620 1.00 0.00 C ATOM 1263 CD PRO B 10 -11.726 -6.553 -9.078 1.00 0.00 C ATOM 0 HA PRO B 10 -8.879 -7.854 -10.080 1.00 0.00 H new ATOM 0 HB2 PRO B 10 -10.878 -9.699 -9.563 1.00 0.00 H new ATOM 0 HB3 PRO B 10 -9.910 -8.949 -8.310 1.00 0.00 H new ATOM 0 HG2 PRO B 10 -12.741 -8.456 -9.010 1.00 0.00 H new ATOM 0 HG3 PRO B 10 -11.889 -8.050 -7.533 1.00 0.00 H new ATOM 0 HD2 PRO B 10 -12.604 -6.254 -9.651 1.00 0.00 H new ATOM 0 HD3 PRO B 10 -11.652 -5.873 -8.229 1.00 0.00 H new ATOM 1271 N TRP B 11 -10.477 -7.277 -12.453 1.00 0.00 N ATOM 1272 CA TRP B 11 -10.766 -7.545 -13.850 1.00 0.00 C ATOM 1273 C TRP B 11 -9.776 -6.746 -14.700 1.00 0.00 C ATOM 1274 O TRP B 11 -9.318 -7.220 -15.739 1.00 0.00 O ATOM 1275 CB TRP B 11 -12.226 -7.227 -14.180 1.00 0.00 C ATOM 1276 CG TRP B 11 -12.871 -8.209 -15.160 1.00 0.00 C ATOM 1277 CD1 TRP B 11 -12.784 -9.547 -15.165 1.00 0.00 C ATOM 1278 CD2 TRP B 11 -13.710 -7.875 -16.285 1.00 0.00 C ATOM 1279 NE1 TRP B 11 -13.503 -10.096 -16.207 1.00 0.00 N ATOM 1280 CE2 TRP B 11 -14.084 -9.047 -16.909 1.00 0.00 C ATOM 1281 CE3 TRP B 11 -14.138 -6.623 -16.760 1.00 0.00 C ATOM 1282 CZ2 TRP B 11 -14.904 -9.085 -18.044 1.00 0.00 C ATOM 1283 CZ3 TRP B 11 -14.957 -6.676 -17.895 1.00 0.00 C ATOM 1284 CH2 TRP B 11 -15.343 -7.848 -18.535 1.00 0.00 C ATOM 0 H TRP B 11 -10.461 -6.288 -12.203 1.00 0.00 H new ATOM 0 HA TRP B 11 -10.641 -8.605 -14.072 1.00 0.00 H new ATOM 0 HB2 TRP B 11 -12.803 -7.220 -13.256 1.00 0.00 H new ATOM 0 HB3 TRP B 11 -12.283 -6.222 -14.599 1.00 0.00 H new ATOM 0 HD1 TRP B 11 -12.222 -10.122 -14.444 1.00 0.00 H new ATOM 0 HE1 TRP B 11 -13.592 -11.089 -16.422 1.00 0.00 H new ATOM 0 HE3 TRP B 11 -13.857 -5.694 -16.287 1.00 0.00 H new ATOM 0 HZ2 TRP B 11 -15.183 -10.016 -18.515 1.00 0.00 H new ATOM 0 HZ3 TRP B 11 -15.313 -5.741 -18.301 1.00 0.00 H new ATOM 0 HH2 TRP B 11 -15.979 -7.805 -19.407 1.00 0.00 H new ATOM 1295 N TYR B 12 -9.471 -5.547 -14.225 1.00 0.00 N ATOM 1296 CA TYR B 12 -8.542 -4.678 -14.927 1.00 0.00 C ATOM 1297 C TYR B 12 -7.113 -4.873 -14.415 1.00 0.00 C ATOM 1298 O TYR B 12 -6.157 -4.779 -15.183 1.00 0.00 O ATOM 1299 CB TYR B 12 -8.990 -3.247 -14.621 1.00 0.00 C ATOM 1300 CG TYR B 12 -10.111 -2.737 -15.529 1.00 0.00 C ATOM 1301 CD1 TYR B 12 -10.808 -3.622 -16.325 1.00 0.00 C ATOM 1302 CD2 TYR B 12 -10.425 -1.394 -15.550 1.00 0.00 C ATOM 1303 CE1 TYR B 12 -11.865 -3.143 -17.180 1.00 0.00 C ATOM 1304 CE2 TYR B 12 -11.481 -0.914 -16.405 1.00 0.00 C ATOM 1305 CZ TYR B 12 -12.149 -1.814 -17.178 1.00 0.00 C ATOM 1306 OH TYR B 12 -13.146 -1.360 -17.984 1.00 0.00 O ATOM 0 H TYR B 12 -9.851 -5.157 -13.362 1.00 0.00 H new ATOM 0 HA TYR B 12 -8.544 -4.898 -15.995 1.00 0.00 H new ATOM 0 HB2 TYR B 12 -9.324 -3.196 -13.585 1.00 0.00 H new ATOM 0 HB3 TYR B 12 -8.132 -2.581 -14.712 1.00 0.00 H new ATOM 0 HD1 TYR B 12 -10.562 -4.673 -16.308 1.00 0.00 H new ATOM 0 HD2 TYR B 12 -9.879 -0.702 -14.926 1.00 0.00 H new ATOM 0 HE1 TYR B 12 -12.419 -3.825 -17.808 1.00 0.00 H new ATOM 0 HE2 TYR B 12 -11.737 0.135 -16.432 1.00 0.00 H new ATOM 0 HH TYR B 12 -13.237 -0.390 -17.877 1.00 0.00 H new ATOM 1316 N PRO B 13 -7.011 -5.149 -13.089 1.00 0.00 N ATOM 1317 CA PRO B 13 -5.715 -5.359 -12.464 1.00 0.00 C ATOM 1318 C PRO B 13 -5.148 -6.732 -12.830 1.00 0.00 C ATOM 1319 O PRO B 13 -3.952 -6.865 -13.085 1.00 0.00 O ATOM 1320 CB PRO B 13 -5.965 -5.196 -10.975 1.00 0.00 C ATOM 1321 CG PRO B 13 -7.465 -5.363 -10.782 1.00 0.00 C ATOM 1322 CD PRO B 13 -8.123 -5.268 -12.149 1.00 0.00 C ATOM 0 HA PRO B 13 -4.962 -4.649 -12.806 1.00 0.00 H new ATOM 0 HB2 PRO B 13 -5.412 -5.941 -10.403 1.00 0.00 H new ATOM 0 HB3 PRO B 13 -5.633 -4.217 -10.628 1.00 0.00 H new ATOM 0 HG2 PRO B 13 -7.686 -6.324 -10.318 1.00 0.00 H new ATOM 0 HG3 PRO B 13 -7.853 -4.591 -10.117 1.00 0.00 H new ATOM 0 HD2 PRO B 13 -8.727 -6.151 -12.360 1.00 0.00 H new ATOM 0 HD3 PRO B 13 -8.787 -4.406 -12.210 1.00 0.00 H new ATOM 1330 N ASP B 14 -6.032 -7.718 -12.842 1.00 0.00 N ATOM 1331 CA ASP B 14 -5.633 -9.077 -13.170 1.00 0.00 C ATOM 1332 C ASP B 14 -6.879 -9.907 -13.485 1.00 0.00 C ATOM 1333 O ASP B 14 -7.968 -9.360 -13.658 1.00 0.00 O ATOM 1334 CB ASP B 14 -4.909 -9.738 -11.996 1.00 0.00 C ATOM 1335 CG ASP B 14 -5.201 -11.227 -11.812 1.00 0.00 C ATOM 1336 OD1 ASP B 14 -5.690 -11.658 -10.759 1.00 0.00 O ATOM 1337 OD2 ASP B 14 -4.897 -11.971 -12.823 1.00 0.00 O ATOM 0 H ASP B 14 -7.023 -7.604 -12.630 1.00 0.00 H new ATOM 0 HA ASP B 14 -4.962 -9.033 -14.028 1.00 0.00 H new ATOM 0 HB2 ASP B 14 -3.835 -9.608 -12.131 1.00 0.00 H new ATOM 0 HB3 ASP B 14 -5.181 -9.214 -11.080 1.00 0.00 H new