USER MOD reduce.3.24.130724 H: found=0, std=0, add=655, rem=0, adj=39 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+ -147:sc= -0.0978! (180deg=-3.63!) USER MOD Set 1.2: A 71 GLN :FLIP amide:sc= 0.886 F(o=-14!,f=0.79) USER MOD Set 2.1: A 3 CYS SG : rot -84:sc= -15.8! USER MOD Set 2.2: A 16 CYS SG : rot 123:sc= -5.13! USER MOD Set 2.3: A 23 CYS SG : rot -85:sc= -15.2! USER MOD Set 2.4: A 44 CYS SG : rot -71:sc= -13! USER MOD Set 2.5: A 60 CYS SG : rot -39:sc= -22.9! USER MOD Set 2.6: A 62 THR OG1 : rot 50:sc= -2.02! USER MOD Set 2.7: A 65 CYS SG : rot 16:sc= -28.2! USER MOD Set 2.8: A 66 ASN : amide:sc= -11! C(o=-1.1e+02!,f=-1.2e+02!) USER MOD Set 3.1: A 48 CYS SG : rot -44:sc= 0.222! USER MOD Set 3.2: A 59 CYS SG : rot 130:sc= -8.83! USER MOD Set 4.1: A 29 CYS SG : rot -143:sc= -3.82! USER MOD Set 4.2: A 33 CYS SG : rot -58:sc= 1.42! USER MOD Set 5.1: A 5 THR OG1 : rot -26:sc= 1.27! USER MOD Set 5.2: A 8 THR OG1 : rot 78:sc= -1.32 USER MOD Set 5.3: A 9 SER OG : rot 180:sc= 0.0498 USER MOD Single : A 1 ILE N :NH3+ -113:sc= -0.174 (180deg=-0.488) USER MOD Single : A 4 HIS :FLIP no HD1:sc= -12! C(o=-13!,f=-12!) USER MOD Single : A 6 THR OG1 : rot -76:sc= -2.67 USER MOD Single : A 12 SER OG : rot 180:sc= -1.23 USER MOD Single : A 15 THR OG1 : rot 180:sc= 0.0904 USER MOD Single : A 21 ASN :FLIP amide:sc= -1.88 F(o=-5.3!,f=-1.9) USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 MET CE :methyl 138:sc= -1.29 (180deg=-1.75!) 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot 53:sc= 1.11 USER MOD Single : A 51 LYS NZ :NH3+ 170:sc= -1.03 (180deg=-1.43) 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 74:sc= -0.277 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= -38.7! C(o=-39!,f=-45!) USER MOD Single : B 1 HIS : no HD1:sc= -2.4 K(o=-2.4,f=-3.5!) USER MOD Single : B 1 HIS N :NH3+ 169:sc= -13.2! (180deg=-14.3!) USER MOD Single : B 3 TYR OH : rot 124:sc= 0.167 USER MOD Single : B 4 TYR OH : rot -116:sc= -0.612 USER MOD Single : B 6 SER OG : rot -6:sc= -2.24! USER MOD Single : B 7 SER OG : rot 61:sc= -6.89! USER MOD Single : B 12 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ILE A 1 -5.814 6.470 12.481 1.00 0.00 N ATOM 2 CA ILE A 1 -6.457 6.601 11.185 1.00 0.00 C ATOM 3 C ILE A 1 -6.726 5.210 10.609 1.00 0.00 C ATOM 4 O ILE A 1 -6.594 4.208 11.311 1.00 0.00 O ATOM 5 CB ILE A 1 -5.627 7.498 10.262 1.00 0.00 C ATOM 6 CG1 ILE A 1 -4.239 6.902 10.023 1.00 0.00 C ATOM 7 CG2 ILE A 1 -5.552 8.926 10.808 1.00 0.00 C ATOM 8 CD1 ILE A 1 -3.566 7.551 8.811 1.00 0.00 C ATOM 0 H1 ILE A 1 -6.457 6.811 13.224 1.00 0.00 H new ATOM 0 H2 ILE A 1 -5.583 5.471 12.655 1.00 0.00 H new ATOM 0 H3 ILE A 1 -4.941 7.034 12.494 1.00 0.00 H new ATOM 0 HA ILE A 1 -7.423 7.095 11.289 1.00 0.00 H new ATOM 0 HB ILE A 1 -6.126 7.549 9.295 1.00 0.00 H new ATOM 0 HG12 ILE A 1 -3.620 7.046 10.908 1.00 0.00 H new ATOM 0 HG13 ILE A 1 -4.323 5.827 9.865 1.00 0.00 H new ATOM 0 HG21 ILE A 1 -4.957 9.542 10.134 1.00 0.00 H new ATOM 0 HG22 ILE A 1 -6.558 9.339 10.885 1.00 0.00 H new ATOM 0 HG23 ILE A 1 -5.088 8.915 11.794 1.00 0.00 H new ATOM 0 HD11 ILE A 1 -2.580 7.110 8.662 1.00 0.00 H new ATOM 0 HD12 ILE A 1 -4.176 7.384 7.923 1.00 0.00 H new ATOM 0 HD13 ILE A 1 -3.462 8.622 8.983 1.00 0.00 H new ATOM 20 N VAL A 2 -7.097 5.191 9.337 1.00 0.00 N ATOM 21 CA VAL A 2 -7.386 3.937 8.660 1.00 0.00 C ATOM 22 C VAL A 2 -6.520 3.831 7.403 1.00 0.00 C ATOM 23 O VAL A 2 -6.063 4.843 6.872 1.00 0.00 O ATOM 24 CB VAL A 2 -8.883 3.837 8.365 1.00 0.00 C ATOM 25 CG1 VAL A 2 -9.288 2.387 8.083 1.00 0.00 C ATOM 26 CG2 VAL A 2 -9.709 4.423 9.512 1.00 0.00 C ATOM 0 H VAL A 2 -7.204 6.023 8.757 1.00 0.00 H new ATOM 0 HA VAL A 2 -7.137 3.090 9.299 1.00 0.00 H new ATOM 0 HB VAL A 2 -9.089 4.425 7.470 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -10.357 2.342 7.876 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -8.735 2.016 7.220 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -9.060 1.770 8.952 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -10.770 4.339 9.276 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -9.497 3.875 10.430 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -9.449 5.473 9.648 1.00 0.00 H new ATOM 36 N CYS A 3 -6.321 2.598 6.963 1.00 0.00 N ATOM 37 CA CYS A 3 -5.518 2.347 5.779 1.00 0.00 C ATOM 38 C CYS A 3 -6.105 1.138 5.048 1.00 0.00 C ATOM 39 O CYS A 3 -6.680 0.249 5.674 1.00 0.00 O ATOM 40 CB CYS A 3 -4.043 2.140 6.130 1.00 0.00 C ATOM 41 SG CYS A 3 -3.578 3.211 7.539 1.00 0.00 S ATOM 0 H CYS A 3 -6.702 1.762 7.405 1.00 0.00 H new ATOM 0 HA CYS A 3 -5.550 3.217 5.124 1.00 0.00 H new ATOM 0 HB2 CYS A 3 -3.864 1.095 6.383 1.00 0.00 H new ATOM 0 HB3 CYS A 3 -3.419 2.370 5.266 1.00 0.00 H new ATOM 0 HG CYS A 3 -3.286 4.400 7.102 1.00 0.00 H new ATOM 47 N HIS A 4 -5.940 1.144 3.733 1.00 0.00 N ATOM 48 CA HIS A 4 -6.447 0.058 2.911 1.00 0.00 C ATOM 49 C HIS A 4 -5.444 -1.097 2.910 1.00 0.00 C ATOM 50 O HIS A 4 -4.238 -0.876 2.994 1.00 0.00 O ATOM 51 CB HIS A 4 -6.781 0.554 1.503 1.00 0.00 C ATOM 52 CG HIS A 4 -7.445 1.911 1.471 1.00 0.00 C ATOM 53 ND1 HIS A 4 -7.030 3.094 0.931 1.00 0.00 N flip ATOM 54 CD2 HIS A 4 -8.680 2.156 2.044 1.00 0.00 C flip ATOM 55 CE1 HIS A 4 -7.963 4.009 1.159 1.00 0.00 C flip ATOM 56 NE2 HIS A 4 -8.987 3.429 1.850 1.00 0.00 N flip ATOM 0 H HIS A 4 -5.463 1.883 3.217 1.00 0.00 H new ATOM 0 HA HIS A 4 -7.379 -0.317 3.333 1.00 0.00 H new ATOM 0 HB2 HIS A 4 -5.863 0.596 0.916 1.00 0.00 H new ATOM 0 HB3 HIS A 4 -7.436 -0.171 1.019 1.00 0.00 H new ATOM 0 HD2 HIS A 4 -9.291 1.431 2.562 1.00 0.00 H new ATOM 0 HE1 HIS A 4 -7.919 5.043 0.849 1.00 0.00 H new ATOM 0 HE2 HIS A 4 -9.839 3.895 2.162 1.00 0.00 H new ATOM 65 N THR A 5 -5.981 -2.304 2.814 1.00 0.00 N ATOM 66 CA THR A 5 -5.149 -3.495 2.801 1.00 0.00 C ATOM 67 C THR A 5 -5.229 -4.187 1.438 1.00 0.00 C ATOM 68 O THR A 5 -6.285 -4.687 1.054 1.00 0.00 O ATOM 69 CB THR A 5 -5.584 -4.388 3.964 1.00 0.00 C ATOM 70 OG1 THR A 5 -6.609 -5.207 3.408 1.00 0.00 O ATOM 71 CG2 THR A 5 -6.292 -3.606 5.072 1.00 0.00 C ATOM 0 H THR A 5 -6.983 -2.483 2.744 1.00 0.00 H new ATOM 0 HA THR A 5 -4.097 -3.245 2.941 1.00 0.00 H new ATOM 0 HB THR A 5 -4.712 -4.894 4.378 1.00 0.00 H new ATOM 0 HG1 THR A 5 -7.031 -4.739 2.658 1.00 0.00 H new ATOM 0 HG21 THR A 5 -6.579 -4.288 5.872 1.00 0.00 H new ATOM 0 HG22 THR A 5 -5.619 -2.845 5.468 1.00 0.00 H new ATOM 0 HG23 THR A 5 -7.183 -3.127 4.667 1.00 0.00 H new ATOM 79 N THR A 6 -4.100 -4.196 0.748 1.00 0.00 N ATOM 80 CA THR A 6 -4.029 -4.819 -0.564 1.00 0.00 C ATOM 81 C THR A 6 -3.335 -6.179 -0.471 1.00 0.00 C ATOM 82 O THR A 6 -3.442 -6.998 -1.382 1.00 0.00 O ATOM 83 CB THR A 6 -3.330 -3.844 -1.513 1.00 0.00 C ATOM 84 OG1 THR A 6 -2.915 -2.774 -0.669 1.00 0.00 O ATOM 85 CG2 THR A 6 -4.302 -3.187 -2.496 1.00 0.00 C ATOM 0 H THR A 6 -3.226 -3.782 1.071 1.00 0.00 H new ATOM 0 HA THR A 6 -5.024 -5.023 -0.960 1.00 0.00 H new ATOM 0 HB THR A 6 -2.553 -4.371 -2.067 1.00 0.00 H new ATOM 0 HG1 THR A 6 -3.688 -2.215 -0.446 1.00 0.00 H new ATOM 0 HG21 THR A 6 -3.755 -2.504 -3.147 1.00 0.00 H new ATOM 0 HG22 THR A 6 -4.784 -3.956 -3.100 1.00 0.00 H new ATOM 0 HG23 THR A 6 -5.060 -2.632 -1.943 1.00 0.00 H new ATOM 93 N ALA A 7 -2.639 -6.378 0.639 1.00 0.00 N ATOM 94 CA ALA A 7 -1.928 -7.625 0.862 1.00 0.00 C ATOM 95 C ALA A 7 -2.886 -8.654 1.466 1.00 0.00 C ATOM 96 O ALA A 7 -2.966 -9.786 0.991 1.00 0.00 O ATOM 97 CB ALA A 7 -0.712 -7.367 1.755 1.00 0.00 C ATOM 0 H ALA A 7 -2.553 -5.697 1.393 1.00 0.00 H new ATOM 0 HA ALA A 7 -1.561 -8.030 -0.081 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -0.178 -8.303 1.922 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -0.048 -6.653 1.268 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -1.042 -6.962 2.711 1.00 0.00 H new ATOM 103 N THR A 8 -3.589 -8.223 2.503 1.00 0.00 N ATOM 104 CA THR A 8 -4.539 -9.092 3.177 1.00 0.00 C ATOM 105 C THR A 8 -5.802 -9.258 2.330 1.00 0.00 C ATOM 106 O THR A 8 -5.800 -9.986 1.339 1.00 0.00 O ATOM 107 CB THR A 8 -4.810 -8.512 4.566 1.00 0.00 C ATOM 108 OG1 THR A 8 -4.686 -7.103 4.383 1.00 0.00 O ATOM 109 CG2 THR A 8 -3.705 -8.854 5.568 1.00 0.00 C ATOM 0 H THR A 8 -3.520 -7.283 2.893 1.00 0.00 H new ATOM 0 HA THR A 8 -4.135 -10.097 3.303 1.00 0.00 H new ATOM 0 HB THR A 8 -5.765 -8.885 4.936 1.00 0.00 H new ATOM 0 HG1 THR A 8 -5.497 -6.756 3.956 1.00 0.00 H new ATOM 0 HG21 THR A 8 -3.946 -8.419 6.538 1.00 0.00 H new ATOM 0 HG22 THR A 8 -3.625 -9.937 5.666 1.00 0.00 H new ATOM 0 HG23 THR A 8 -2.756 -8.450 5.215 1.00 0.00 H new ATOM 117 N SER A 9 -6.852 -8.569 2.753 1.00 0.00 N ATOM 118 CA SER A 9 -8.121 -8.631 2.047 1.00 0.00 C ATOM 119 C SER A 9 -7.961 -8.073 0.631 1.00 0.00 C ATOM 120 O SER A 9 -6.844 -7.976 0.122 1.00 0.00 O ATOM 121 CB SER A 9 -9.209 -7.860 2.799 1.00 0.00 C ATOM 122 OG SER A 9 -8.926 -7.764 4.193 1.00 0.00 O ATOM 0 H SER A 9 -6.850 -7.965 3.575 1.00 0.00 H new ATOM 0 HA SER A 9 -8.427 -9.675 1.988 1.00 0.00 H new ATOM 0 HB2 SER A 9 -9.302 -6.859 2.378 1.00 0.00 H new ATOM 0 HB3 SER A 9 -10.169 -8.356 2.657 1.00 0.00 H new ATOM 0 HG SER A 9 -9.642 -7.264 4.638 1.00 0.00 H new ATOM 128 N PRO A 10 -9.120 -7.713 0.020 1.00 0.00 N ATOM 129 CA PRO A 10 -9.118 -7.168 -1.327 1.00 0.00 C ATOM 130 C PRO A 10 -8.624 -5.720 -1.332 1.00 0.00 C ATOM 131 O PRO A 10 -7.683 -5.384 -2.049 1.00 0.00 O ATOM 132 CB PRO A 10 -10.552 -7.309 -1.811 1.00 0.00 C ATOM 133 CG PRO A 10 -11.397 -7.495 -0.560 1.00 0.00 C ATOM 134 CD PRO A 10 -10.459 -7.814 0.593 1.00 0.00 C ATOM 0 HA PRO A 10 -8.434 -7.694 -1.993 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -10.866 -6.425 -2.366 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -10.656 -8.161 -2.483 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -11.969 -6.592 -0.348 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -12.116 -8.302 -0.702 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -10.591 -7.113 1.417 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -10.645 -8.812 0.991 1.00 0.00 H new ATOM 142 N ILE A 11 -9.282 -4.902 -0.524 1.00 0.00 N ATOM 143 CA ILE A 11 -8.923 -3.497 -0.427 1.00 0.00 C ATOM 144 C ILE A 11 -10.035 -2.740 0.300 1.00 0.00 C ATOM 145 O ILE A 11 -11.090 -2.474 -0.275 1.00 0.00 O ATOM 146 CB ILE A 11 -8.596 -2.931 -1.809 1.00 0.00 C ATOM 147 CG1 ILE A 11 -7.100 -2.640 -1.943 1.00 0.00 C ATOM 148 CG2 ILE A 11 -9.448 -1.696 -2.113 1.00 0.00 C ATOM 149 CD1 ILE A 11 -6.765 -2.119 -3.342 1.00 0.00 C ATOM 0 H ILE A 11 -10.062 -5.185 0.070 1.00 0.00 H new ATOM 0 HA ILE A 11 -8.015 -3.376 0.164 1.00 0.00 H new ATOM 0 HB ILE A 11 -8.846 -3.687 -2.554 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -6.801 -1.905 -1.196 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -6.530 -3.547 -1.743 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -9.195 -1.314 -3.102 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -10.503 -1.967 -2.088 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -9.253 -0.927 -1.366 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -5.695 -1.920 -3.410 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -7.043 -2.867 -4.085 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -7.318 -1.198 -3.529 1.00 0.00 H new ATOM 161 N SER A 12 -9.762 -2.412 1.555 1.00 0.00 N ATOM 162 CA SER A 12 -10.727 -1.690 2.367 1.00 0.00 C ATOM 163 C SER A 12 -10.010 -0.956 3.502 1.00 0.00 C ATOM 164 O SER A 12 -9.083 -1.493 4.105 1.00 0.00 O ATOM 165 CB SER A 12 -11.788 -2.637 2.933 1.00 0.00 C ATOM 166 OG SER A 12 -11.285 -3.417 4.014 1.00 0.00 O ATOM 0 H SER A 12 -8.886 -2.633 2.029 1.00 0.00 H new ATOM 0 HA SER A 12 -11.231 -0.961 1.733 1.00 0.00 H new ATOM 0 HB2 SER A 12 -12.647 -2.058 3.273 1.00 0.00 H new ATOM 0 HB3 SER A 12 -12.142 -3.299 2.143 1.00 0.00 H new ATOM 0 HG SER A 12 -11.992 -4.007 4.349 1.00 0.00 H new ATOM 172 N ALA A 13 -10.469 0.260 3.760 1.00 0.00 N ATOM 173 CA ALA A 13 -9.883 1.073 4.813 1.00 0.00 C ATOM 174 C ALA A 13 -10.364 0.564 6.173 1.00 0.00 C ATOM 175 O ALA A 13 -11.460 0.904 6.615 1.00 0.00 O ATOM 176 CB ALA A 13 -10.240 2.542 4.580 1.00 0.00 C ATOM 0 H ALA A 13 -11.239 0.702 3.258 1.00 0.00 H new ATOM 0 HA ALA A 13 -8.796 0.995 4.799 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -9.801 3.153 5.369 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -9.850 2.862 3.614 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -11.324 2.659 4.591 1.00 0.00 H new ATOM 182 N VAL A 14 -9.521 -0.245 6.797 1.00 0.00 N ATOM 183 CA VAL A 14 -9.846 -0.805 8.098 1.00 0.00 C ATOM 184 C VAL A 14 -8.734 -0.459 9.091 1.00 0.00 C ATOM 185 O VAL A 14 -7.557 -0.680 8.810 1.00 0.00 O ATOM 186 CB VAL A 14 -10.089 -2.310 7.974 1.00 0.00 C ATOM 187 CG1 VAL A 14 -10.696 -2.656 6.612 1.00 0.00 C ATOM 188 CG2 VAL A 14 -8.799 -3.096 8.214 1.00 0.00 C ATOM 0 H VAL A 14 -8.613 -0.526 6.426 1.00 0.00 H new ATOM 0 HA VAL A 14 -10.770 -0.370 8.480 1.00 0.00 H new ATOM 0 HB VAL A 14 -10.805 -2.598 8.744 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -10.859 -3.732 6.549 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -11.648 -2.137 6.495 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -10.014 -2.345 5.820 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -9.000 -4.163 8.120 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -8.051 -2.801 7.478 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -8.425 -2.884 9.216 1.00 0.00 H new ATOM 198 N THR A 15 -9.147 0.076 10.230 1.00 0.00 N ATOM 199 CA THR A 15 -8.200 0.455 11.265 1.00 0.00 C ATOM 200 C THR A 15 -7.210 -0.682 11.523 1.00 0.00 C ATOM 201 O THR A 15 -7.579 -1.853 11.481 1.00 0.00 O ATOM 202 CB THR A 15 -8.996 0.861 12.507 1.00 0.00 C ATOM 203 OG1 THR A 15 -10.060 1.658 11.993 1.00 0.00 O ATOM 204 CG2 THR A 15 -8.218 1.818 13.413 1.00 0.00 C ATOM 0 H THR A 15 -10.124 0.256 10.459 1.00 0.00 H new ATOM 0 HA THR A 15 -7.595 1.307 10.956 1.00 0.00 H new ATOM 0 HB THR A 15 -9.270 -0.031 13.070 1.00 0.00 H new ATOM 0 HG1 THR A 15 -10.627 1.962 12.732 1.00 0.00 H new ATOM 0 HG21 THR A 15 -8.827 2.075 14.279 1.00 0.00 H new ATOM 0 HG22 THR A 15 -7.298 1.337 13.746 1.00 0.00 H new ATOM 0 HG23 THR A 15 -7.973 2.725 12.860 1.00 0.00 H new ATOM 212 N CYS A 16 -5.970 -0.295 11.784 1.00 0.00 N ATOM 213 CA CYS A 16 -4.922 -1.266 12.049 1.00 0.00 C ATOM 214 C CYS A 16 -4.708 -1.344 13.562 1.00 0.00 C ATOM 215 O CYS A 16 -5.364 -0.632 14.321 1.00 0.00 O ATOM 216 CB CYS A 16 -3.630 -0.922 11.306 1.00 0.00 C ATOM 217 SG CYS A 16 -3.204 -2.262 10.134 1.00 0.00 S ATOM 0 H CYS A 16 -5.667 0.678 11.818 1.00 0.00 H new ATOM 0 HA CYS A 16 -5.228 -2.244 11.677 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -3.750 0.018 10.768 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -2.818 -0.780 12.019 1.00 0.00 H new ATOM 0 HG CYS A 16 -3.116 -1.775 8.932 1.00 0.00 H new ATOM 223 N PRO A 17 -3.764 -2.235 13.964 1.00 0.00 N ATOM 224 CA PRO A 17 -3.455 -2.414 15.373 1.00 0.00 C ATOM 225 C PRO A 17 -2.626 -1.243 15.905 1.00 0.00 C ATOM 226 O PRO A 17 -2.384 -0.273 15.188 1.00 0.00 O ATOM 227 CB PRO A 17 -2.723 -3.743 15.449 1.00 0.00 C ATOM 228 CG PRO A 17 -2.241 -4.037 14.038 1.00 0.00 C ATOM 229 CD PRO A 17 -2.968 -3.095 13.092 1.00 0.00 C ATOM 0 HA PRO A 17 -4.346 -2.429 16.001 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -1.885 -3.688 16.144 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -3.383 -4.532 15.808 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -1.163 -3.894 13.965 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -2.444 -5.075 13.774 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -2.266 -2.513 12.496 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -3.600 -3.644 12.394 1.00 0.00 H new ATOM 237 N PRO A 18 -2.203 -1.377 17.191 1.00 0.00 N ATOM 238 CA PRO A 18 -1.406 -0.342 17.826 1.00 0.00 C ATOM 239 C PRO A 18 0.035 -0.365 17.315 1.00 0.00 C ATOM 240 O PRO A 18 0.738 -1.362 17.475 1.00 0.00 O ATOM 241 CB PRO A 18 -1.512 -0.624 19.317 1.00 0.00 C ATOM 242 CG PRO A 18 -1.974 -2.066 19.435 1.00 0.00 C ATOM 243 CD PRO A 18 -2.472 -2.510 18.069 1.00 0.00 C ATOM 0 HA PRO A 18 -1.762 0.662 17.596 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -0.551 -0.480 19.811 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -2.220 0.054 19.793 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -1.155 -2.703 19.768 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -2.767 -2.153 20.177 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -1.952 -3.406 17.730 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -3.535 -2.748 18.093 1.00 0.00 H new ATOM 251 N GLY A 19 0.432 0.743 16.707 1.00 0.00 N ATOM 252 CA GLY A 19 1.777 0.861 16.169 1.00 0.00 C ATOM 253 C GLY A 19 1.798 1.776 14.942 1.00 0.00 C ATOM 254 O GLY A 19 2.544 2.754 14.906 1.00 0.00 O ATOM 0 H GLY A 19 -0.154 1.567 16.575 1.00 0.00 H new ATOM 0 HA2 GLY A 19 2.445 1.257 16.934 1.00 0.00 H new ATOM 0 HA3 GLY A 19 2.152 -0.126 15.898 1.00 0.00 H new ATOM 258 N GLU A 20 0.972 1.424 13.968 1.00 0.00 N ATOM 259 CA GLU A 20 0.887 2.202 12.742 1.00 0.00 C ATOM 260 C GLU A 20 0.305 3.587 13.033 1.00 0.00 C ATOM 261 O GLU A 20 -0.894 3.723 13.270 1.00 0.00 O ATOM 262 CB GLU A 20 0.059 1.468 11.686 1.00 0.00 C ATOM 263 CG GLU A 20 0.645 0.086 11.393 1.00 0.00 C ATOM 264 CD GLU A 20 0.113 -0.954 12.381 1.00 0.00 C ATOM 265 OE1 GLU A 20 -0.914 -0.720 13.035 1.00 0.00 O ATOM 266 OE2 GLU A 20 0.807 -2.039 12.455 1.00 0.00 O ATOM 0 H GLU A 20 0.356 0.612 14.002 1.00 0.00 H new ATOM 0 HA GLU A 20 1.893 2.330 12.343 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -0.969 1.365 12.032 1.00 0.00 H new ATOM 0 HB3 GLU A 20 0.029 2.056 10.769 1.00 0.00 H new ATOM 0 HG2 GLU A 20 0.393 -0.212 10.375 1.00 0.00 H new ATOM 0 HG3 GLU A 20 1.733 0.128 11.453 1.00 0.00 H new ATOM 274 N ASN A 21 1.181 4.580 13.002 1.00 0.00 N ATOM 275 CA ASN A 21 0.770 5.950 13.259 1.00 0.00 C ATOM 276 C ASN A 21 0.288 6.586 11.953 1.00 0.00 C ATOM 277 O ASN A 21 -0.015 7.778 11.913 1.00 0.00 O ATOM 278 CB ASN A 21 1.936 6.786 13.790 1.00 0.00 C ATOM 279 CG ASN A 21 2.703 6.027 14.876 1.00 0.00 C ATOM 280 OD1 ASN A 21 2.005 5.052 15.450 1.00 0.00 O flip ATOM 281 ND2 ASN A 21 3.853 6.309 15.171 1.00 0.00 N flip ATOM 0 H ASN A 21 2.175 4.463 12.803 1.00 0.00 H new ATOM 0 HA ASN A 21 -0.026 5.929 14.004 1.00 0.00 H new ATOM 0 HB2 ASN A 21 2.610 7.038 12.972 1.00 0.00 H new ATOM 0 HB3 ASN A 21 1.560 7.726 14.194 1.00 0.00 H new ATOM 0 HD21 ASN A 21 4.331 7.071 14.690 1.00 0.00 H new ATOM 0 HD22 ASN A 21 4.336 5.783 15.899 1.00 0.00 H new ATOM 288 N LEU A 22 0.235 5.764 10.915 1.00 0.00 N ATOM 289 CA LEU A 22 -0.203 6.231 9.612 1.00 0.00 C ATOM 290 C LEU A 22 -0.347 5.035 8.668 1.00 0.00 C ATOM 291 O LEU A 22 -0.252 3.886 9.098 1.00 0.00 O ATOM 292 CB LEU A 22 0.738 7.318 9.087 1.00 0.00 C ATOM 293 CG LEU A 22 2.149 6.859 8.710 1.00 0.00 C ATOM 294 CD1 LEU A 22 2.410 7.064 7.217 1.00 0.00 C ATOM 295 CD2 LEU A 22 3.201 7.552 9.578 1.00 0.00 C ATOM 0 H LEU A 22 0.489 4.777 10.951 1.00 0.00 H new ATOM 0 HA LEU A 22 -1.184 6.700 9.686 1.00 0.00 H new ATOM 0 HB2 LEU A 22 0.280 7.775 8.210 1.00 0.00 H new ATOM 0 HB3 LEU A 22 0.821 8.096 9.846 1.00 0.00 H new ATOM 0 HG LEU A 22 2.225 5.789 8.906 1.00 0.00 H new ATOM 0 HD11 LEU A 22 3.419 6.730 6.975 1.00 0.00 H new ATOM 0 HD12 LEU A 22 1.688 6.487 6.639 1.00 0.00 H new ATOM 0 HD13 LEU A 22 2.309 8.121 6.972 1.00 0.00 H new ATOM 0 HD21 LEU A 22 4.194 7.208 9.290 1.00 0.00 H new ATOM 0 HD22 LEU A 22 3.135 8.631 9.437 1.00 0.00 H new ATOM 0 HD23 LEU A 22 3.024 7.311 10.626 1.00 0.00 H new ATOM 307 N CYS A 23 -0.572 5.347 7.400 1.00 0.00 N ATOM 308 CA CYS A 23 -0.731 4.312 6.392 1.00 0.00 C ATOM 309 C CYS A 23 0.573 4.214 5.596 1.00 0.00 C ATOM 310 O CYS A 23 1.570 4.839 5.951 1.00 0.00 O ATOM 311 CB CYS A 23 -1.933 4.583 5.485 1.00 0.00 C ATOM 312 SG CYS A 23 -3.243 5.446 6.428 1.00 0.00 S ATOM 0 H CYS A 23 -0.648 6.301 7.048 1.00 0.00 H new ATOM 0 HA CYS A 23 -0.934 3.357 6.877 1.00 0.00 H new ATOM 0 HB2 CYS A 23 -1.627 5.189 4.633 1.00 0.00 H new ATOM 0 HB3 CYS A 23 -2.318 3.644 5.087 1.00 0.00 H new ATOM 0 HG CYS A 23 -3.980 4.572 7.046 1.00 0.00 H new ATOM 318 N TYR A 24 0.523 3.422 4.535 1.00 0.00 N ATOM 319 CA TYR A 24 1.687 3.233 3.686 1.00 0.00 C ATOM 320 C TYR A 24 1.303 2.548 2.373 1.00 0.00 C ATOM 321 O TYR A 24 0.196 2.028 2.240 1.00 0.00 O ATOM 322 CB TYR A 24 2.634 2.320 4.466 1.00 0.00 C ATOM 323 CG TYR A 24 2.244 0.841 4.431 1.00 0.00 C ATOM 324 CD1 TYR A 24 1.397 0.328 5.393 1.00 0.00 C ATOM 325 CD2 TYR A 24 2.736 0.020 3.436 1.00 0.00 C ATOM 326 CE1 TYR A 24 1.028 -1.064 5.360 1.00 0.00 C ATOM 327 CE2 TYR A 24 2.367 -1.370 3.403 1.00 0.00 C ATOM 328 CZ TYR A 24 1.533 -1.845 4.366 1.00 0.00 C ATOM 329 OH TYR A 24 1.185 -3.160 4.334 1.00 0.00 O ATOM 0 H TYR A 24 -0.306 2.904 4.244 1.00 0.00 H new ATOM 0 HA TYR A 24 2.141 4.192 3.438 1.00 0.00 H new ATOM 0 HB2 TYR A 24 3.641 2.429 4.063 1.00 0.00 H new ATOM 0 HB3 TYR A 24 2.668 2.651 5.504 1.00 0.00 H new ATOM 0 HD1 TYR A 24 1.011 0.971 6.171 1.00 0.00 H new ATOM 0 HD2 TYR A 24 3.398 0.421 2.683 1.00 0.00 H new ATOM 0 HE1 TYR A 24 0.366 -1.478 6.106 1.00 0.00 H new ATOM 0 HE2 TYR A 24 2.744 -2.022 2.630 1.00 0.00 H new ATOM 0 HH TYR A 24 1.618 -3.595 3.570 1.00 0.00 H new ATOM 339 N ARG A 25 2.239 2.567 1.436 1.00 0.00 N ATOM 340 CA ARG A 25 2.013 1.954 0.139 1.00 0.00 C ATOM 341 C ARG A 25 3.245 1.157 -0.294 1.00 0.00 C ATOM 342 O ARG A 25 4.213 1.726 -0.796 1.00 0.00 O ATOM 343 CB ARG A 25 1.700 3.011 -0.923 1.00 0.00 C ATOM 344 CG ARG A 25 0.911 4.175 -0.320 1.00 0.00 C ATOM 345 CD ARG A 25 1.017 5.423 -1.199 1.00 0.00 C ATOM 346 NE ARG A 25 -0.331 5.858 -1.625 1.00 0.00 N ATOM 347 CZ ARG A 25 -0.580 6.553 -2.757 1.00 0.00 C ATOM 348 NH1 ARG A 25 0.429 6.896 -3.586 1.00 0.00 N ATOM 349 NH2 ARG A 25 -1.825 6.890 -3.039 1.00 0.00 N ATOM 0 H ARG A 25 3.157 2.998 1.550 1.00 0.00 H new ATOM 0 HA ARG A 25 1.158 1.285 0.234 1.00 0.00 H new ATOM 0 HB2 ARG A 25 2.628 3.382 -1.357 1.00 0.00 H new ATOM 0 HB3 ARG A 25 1.127 2.560 -1.733 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -0.136 3.891 -0.210 1.00 0.00 H new ATOM 0 HG3 ARG A 25 1.288 4.396 0.679 1.00 0.00 H new ATOM 0 HD2 ARG A 25 1.510 6.225 -0.649 1.00 0.00 H new ATOM 0 HD3 ARG A 25 1.633 5.211 -2.073 1.00 0.00 H new ATOM 0 HE ARG A 25 -1.122 5.619 -1.027 1.00 0.00 H new ATOM 0 HH11 ARG A 25 1.388 6.631 -3.360 1.00 0.00 H new ATOM 0 HH12 ARG A 25 0.233 7.421 -4.438 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -2.581 6.626 -2.407 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -2.031 7.415 -3.889 1.00 0.00 H new ATOM 363 N LYS A 26 3.168 -0.149 -0.084 1.00 0.00 N ATOM 364 CA LYS A 26 4.266 -1.031 -0.445 1.00 0.00 C ATOM 365 C LYS A 26 4.170 -1.372 -1.935 1.00 0.00 C ATOM 366 O LYS A 26 3.095 -1.289 -2.526 1.00 0.00 O ATOM 367 CB LYS A 26 4.289 -2.259 0.466 1.00 0.00 C ATOM 368 CG LYS A 26 5.580 -2.309 1.284 1.00 0.00 C ATOM 369 CD LYS A 26 5.529 -3.433 2.322 1.00 0.00 C ATOM 370 CE LYS A 26 5.249 -2.878 3.720 1.00 0.00 C ATOM 371 NZ LYS A 26 6.168 -3.480 4.712 1.00 0.00 N ATOM 0 H LYS A 26 2.363 -0.618 0.331 1.00 0.00 H new ATOM 0 HA LYS A 26 5.223 -0.532 -0.291 1.00 0.00 H new ATOM 0 HB2 LYS A 26 3.430 -2.235 1.136 1.00 0.00 H new ATOM 0 HB3 LYS A 26 4.199 -3.164 -0.135 1.00 0.00 H new ATOM 0 HG2 LYS A 26 6.430 -2.462 0.619 1.00 0.00 H new ATOM 0 HG3 LYS A 26 5.734 -1.353 1.785 1.00 0.00 H new ATOM 0 HD2 LYS A 26 4.754 -4.149 2.050 1.00 0.00 H new ATOM 0 HD3 LYS A 26 6.476 -3.973 2.325 1.00 0.00 H new ATOM 0 HE2 LYS A 26 5.367 -1.794 3.718 1.00 0.00 H new ATOM 0 HE3 LYS A 26 4.216 -3.086 4.000 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 5.964 -3.092 5.655 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 6.036 -4.512 4.726 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 7.151 -3.260 4.453 1.00 0.00 H new ATOM 385 N MET A 27 5.310 -1.749 -2.496 1.00 0.00 N ATOM 386 CA MET A 27 5.369 -2.102 -3.905 1.00 0.00 C ATOM 387 C MET A 27 6.464 -3.139 -4.164 1.00 0.00 C ATOM 388 O MET A 27 7.446 -3.208 -3.426 1.00 0.00 O ATOM 389 CB MET A 27 5.647 -0.846 -4.735 1.00 0.00 C ATOM 390 CG MET A 27 4.402 -0.419 -5.514 1.00 0.00 C ATOM 391 SD MET A 27 4.474 1.330 -5.866 1.00 0.00 S ATOM 392 CE MET A 27 2.782 1.617 -6.357 1.00 0.00 C ATOM 0 H MET A 27 6.199 -1.818 -2.001 1.00 0.00 H new ATOM 0 HA MET A 27 4.410 -2.533 -4.193 1.00 0.00 H new ATOM 0 HB2 MET A 27 5.966 -0.036 -4.080 1.00 0.00 H new ATOM 0 HB3 MET A 27 6.466 -1.037 -5.428 1.00 0.00 H new ATOM 0 HG2 MET A 27 4.333 -0.983 -6.444 1.00 0.00 H new ATOM 0 HG3 MET A 27 3.506 -0.646 -4.937 1.00 0.00 H new ATOM 0 HE1 MET A 27 2.430 2.552 -5.920 1.00 0.00 H new ATOM 0 HE2 MET A 27 2.724 1.680 -7.444 1.00 0.00 H new ATOM 0 HE3 MET A 27 2.157 0.795 -6.007 1.00 0.00 H new ATOM 402 N TRP A 28 6.257 -3.920 -5.214 1.00 0.00 N ATOM 403 CA TRP A 28 7.214 -4.951 -5.580 1.00 0.00 C ATOM 404 C TRP A 28 6.825 -5.488 -6.959 1.00 0.00 C ATOM 405 O TRP A 28 7.100 -4.854 -7.977 1.00 0.00 O ATOM 406 CB TRP A 28 7.280 -6.041 -4.510 1.00 0.00 C ATOM 407 CG TRP A 28 5.962 -6.264 -3.766 1.00 0.00 C ATOM 408 CD1 TRP A 28 4.801 -6.716 -4.259 1.00 0.00 C ATOM 409 CD2 TRP A 28 5.717 -6.025 -2.363 1.00 0.00 C ATOM 410 NE1 TRP A 28 3.829 -6.784 -3.282 1.00 0.00 N ATOM 411 CE2 TRP A 28 4.403 -6.352 -2.093 1.00 0.00 C ATOM 412 CE3 TRP A 28 6.575 -5.549 -1.356 1.00 0.00 C ATOM 413 CZ2 TRP A 28 3.832 -6.238 -0.820 1.00 0.00 C ATOM 414 CZ3 TRP A 28 5.988 -5.442 -0.091 1.00 0.00 C ATOM 415 CH2 TRP A 28 4.668 -5.766 0.198 1.00 0.00 C ATOM 0 H TRP A 28 5.441 -3.860 -5.823 1.00 0.00 H new ATOM 0 HA TRP A 28 8.222 -4.540 -5.638 1.00 0.00 H new ATOM 0 HB2 TRP A 28 7.584 -6.977 -4.978 1.00 0.00 H new ATOM 0 HB3 TRP A 28 8.053 -5.780 -3.788 1.00 0.00 H new ATOM 0 HD1 TRP A 28 4.646 -6.992 -5.291 1.00 0.00 H new ATOM 0 HE1 TRP A 28 2.866 -7.094 -3.409 1.00 0.00 H new ATOM 0 HE3 TRP A 28 7.606 -5.287 -1.544 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 2.801 -6.500 -0.634 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 6.605 -5.082 0.719 1.00 0.00 H new ATOM 0 HH2 TRP A 28 4.289 -5.654 1.203 1.00 0.00 H new ATOM 426 N CYS A 29 6.193 -6.653 -6.947 1.00 0.00 N ATOM 427 CA CYS A 29 5.764 -7.283 -8.185 1.00 0.00 C ATOM 428 C CYS A 29 4.949 -8.529 -7.831 1.00 0.00 C ATOM 429 O CYS A 29 5.448 -9.432 -7.164 1.00 0.00 O ATOM 430 CB CYS A 29 6.950 -7.616 -9.091 1.00 0.00 C ATOM 431 SG CYS A 29 6.881 -6.598 -10.611 1.00 0.00 S ATOM 0 H CYS A 29 5.968 -7.177 -6.101 1.00 0.00 H new ATOM 0 HA CYS A 29 5.142 -6.591 -8.752 1.00 0.00 H new ATOM 0 HB2 CYS A 29 7.885 -7.432 -8.562 1.00 0.00 H new ATOM 0 HB3 CYS A 29 6.934 -8.674 -9.351 1.00 0.00 H new ATOM 0 HG CYS A 29 7.279 -7.306 -11.626 1.00 0.00 H new ATOM 437 N ASP A 30 3.708 -8.536 -8.296 1.00 0.00 N ATOM 438 CA ASP A 30 2.820 -9.657 -8.037 1.00 0.00 C ATOM 439 C ASP A 30 3.538 -10.963 -8.381 1.00 0.00 C ATOM 440 O ASP A 30 4.678 -10.945 -8.843 1.00 0.00 O ATOM 441 CB ASP A 30 1.558 -9.570 -8.900 1.00 0.00 C ATOM 442 CG ASP A 30 0.457 -10.567 -8.536 1.00 0.00 C ATOM 443 OD1 ASP A 30 0.384 -11.050 -7.396 1.00 0.00 O ATOM 444 OD2 ASP A 30 -0.363 -10.847 -9.491 1.00 0.00 O ATOM 0 H ASP A 30 3.297 -7.784 -8.850 1.00 0.00 H new ATOM 0 HA ASP A 30 2.541 -9.629 -6.984 1.00 0.00 H new ATOM 0 HB2 ASP A 30 1.153 -8.561 -8.825 1.00 0.00 H new ATOM 0 HB3 ASP A 30 1.837 -9.724 -9.942 1.00 0.00 H new ATOM 450 N ALA A 31 2.843 -12.065 -8.141 1.00 0.00 N ATOM 451 CA ALA A 31 3.401 -13.377 -8.419 1.00 0.00 C ATOM 452 C ALA A 31 3.458 -13.593 -9.933 1.00 0.00 C ATOM 453 O ALA A 31 3.927 -14.631 -10.399 1.00 0.00 O ATOM 454 CB ALA A 31 2.569 -14.447 -7.709 1.00 0.00 C ATOM 0 H ALA A 31 1.898 -12.076 -7.757 1.00 0.00 H new ATOM 0 HA ALA A 31 4.419 -13.449 -8.037 1.00 0.00 H new ATOM 0 HB1 ALA A 31 2.988 -15.431 -7.918 1.00 0.00 H new ATOM 0 HB2 ALA A 31 2.585 -14.266 -6.634 1.00 0.00 H new ATOM 0 HB3 ALA A 31 1.541 -14.406 -8.069 1.00 0.00 H new ATOM 460 N PHE A 32 2.974 -12.596 -10.659 1.00 0.00 N ATOM 461 CA PHE A 32 2.964 -12.664 -12.110 1.00 0.00 C ATOM 462 C PHE A 32 3.842 -11.567 -12.716 1.00 0.00 C ATOM 463 O PHE A 32 4.168 -11.611 -13.902 1.00 0.00 O ATOM 464 CB PHE A 32 1.517 -12.447 -12.558 1.00 0.00 C ATOM 465 CG PHE A 32 0.595 -13.636 -12.286 1.00 0.00 C ATOM 466 CD1 PHE A 32 0.438 -14.099 -11.016 1.00 0.00 C ATOM 467 CD2 PHE A 32 -0.066 -14.233 -13.313 1.00 0.00 C ATOM 468 CE1 PHE A 32 -0.417 -15.204 -10.764 1.00 0.00 C ATOM 469 CE2 PHE A 32 -0.921 -15.339 -13.061 1.00 0.00 C ATOM 470 CZ PHE A 32 -1.079 -15.801 -11.791 1.00 0.00 C ATOM 0 H PHE A 32 2.586 -11.737 -10.269 1.00 0.00 H new ATOM 0 HA PHE A 32 3.352 -13.628 -12.440 1.00 0.00 H new ATOM 0 HB2 PHE A 32 1.119 -11.568 -12.051 1.00 0.00 H new ATOM 0 HB3 PHE A 32 1.507 -12.230 -13.626 1.00 0.00 H new ATOM 0 HD1 PHE A 32 0.964 -13.626 -10.200 1.00 0.00 H new ATOM 0 HD2 PHE A 32 0.059 -13.866 -14.321 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -0.542 -15.571 -9.756 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -1.446 -15.813 -13.877 1.00 0.00 H new ATOM 0 HZ PHE A 32 -1.730 -16.641 -11.599 1.00 0.00 H new ATOM 480 N CYS A 33 4.201 -10.608 -11.875 1.00 0.00 N ATOM 481 CA CYS A 33 5.036 -9.502 -12.313 1.00 0.00 C ATOM 482 C CYS A 33 4.657 -9.156 -13.755 1.00 0.00 C ATOM 483 O CYS A 33 5.487 -9.239 -14.656 1.00 0.00 O ATOM 484 CB CYS A 33 6.525 -9.830 -12.178 1.00 0.00 C ATOM 485 SG CYS A 33 7.510 -8.703 -13.232 1.00 0.00 S ATOM 0 H CYS A 33 3.929 -10.574 -10.893 1.00 0.00 H new ATOM 0 HA CYS A 33 4.862 -8.636 -11.674 1.00 0.00 H new ATOM 0 HB2 CYS A 33 6.835 -9.732 -11.138 1.00 0.00 H new ATOM 0 HB3 CYS A 33 6.706 -10.865 -12.469 1.00 0.00 H new ATOM 0 HG CYS A 33 7.121 -8.813 -14.467 1.00 0.00 H new ATOM 491 N SER A 34 3.399 -8.773 -13.925 1.00 0.00 N ATOM 492 CA SER A 34 2.899 -8.414 -15.241 1.00 0.00 C ATOM 493 C SER A 34 3.494 -7.075 -15.680 1.00 0.00 C ATOM 494 O SER A 34 4.215 -6.433 -14.917 1.00 0.00 O ATOM 495 CB SER A 34 1.370 -8.344 -15.250 1.00 0.00 C ATOM 496 OG SER A 34 0.777 -9.621 -15.025 1.00 0.00 O ATOM 0 H SER A 34 2.712 -8.704 -13.174 1.00 0.00 H new ATOM 0 HA SER A 34 3.204 -9.188 -15.945 1.00 0.00 H new ATOM 0 HB2 SER A 34 1.034 -7.648 -14.482 1.00 0.00 H new ATOM 0 HB3 SER A 34 1.030 -7.950 -16.208 1.00 0.00 H new ATOM 0 HG SER A 34 -0.199 -9.535 -15.036 1.00 0.00 H new ATOM 502 N SER A 35 3.169 -6.693 -16.907 1.00 0.00 N ATOM 503 CA SER A 35 3.664 -5.441 -17.455 1.00 0.00 C ATOM 504 C SER A 35 3.100 -4.263 -16.659 1.00 0.00 C ATOM 505 O SER A 35 3.517 -3.122 -16.853 1.00 0.00 O ATOM 506 CB SER A 35 3.297 -5.305 -18.934 1.00 0.00 C ATOM 507 OG SER A 35 3.653 -6.466 -19.681 1.00 0.00 O ATOM 0 H SER A 35 2.570 -7.228 -17.536 1.00 0.00 H new ATOM 0 HA SER A 35 4.751 -5.438 -17.376 1.00 0.00 H new ATOM 0 HB2 SER A 35 2.225 -5.128 -19.027 1.00 0.00 H new ATOM 0 HB3 SER A 35 3.801 -4.435 -19.354 1.00 0.00 H new ATOM 0 HG SER A 35 3.401 -6.341 -20.620 1.00 0.00 H new ATOM 513 N ARG A 36 2.160 -4.578 -15.780 1.00 0.00 N ATOM 514 CA ARG A 36 1.535 -3.559 -14.954 1.00 0.00 C ATOM 515 C ARG A 36 2.543 -2.998 -13.949 1.00 0.00 C ATOM 516 O ARG A 36 2.203 -2.141 -13.136 1.00 0.00 O ATOM 517 CB ARG A 36 0.332 -4.125 -14.198 1.00 0.00 C ATOM 518 CG ARG A 36 -0.624 -4.848 -15.149 1.00 0.00 C ATOM 519 CD ARG A 36 -1.341 -3.854 -16.066 1.00 0.00 C ATOM 520 NE ARG A 36 -2.602 -3.402 -15.437 1.00 0.00 N ATOM 521 CZ ARG A 36 -3.647 -2.890 -16.121 1.00 0.00 C ATOM 522 NH1 ARG A 36 -3.590 -2.759 -17.463 1.00 0.00 N ATOM 523 NH2 ARG A 36 -4.726 -2.521 -15.457 1.00 0.00 N ATOM 0 H ARG A 36 1.816 -5.525 -15.622 1.00 0.00 H new ATOM 0 HA ARG A 36 1.193 -2.761 -15.613 1.00 0.00 H new ATOM 0 HB2 ARG A 36 0.675 -4.815 -13.427 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -0.196 -3.317 -13.691 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -0.069 -5.568 -15.750 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -1.358 -5.412 -14.573 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -0.696 -2.998 -16.262 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -1.552 -4.321 -17.028 1.00 0.00 H new ATOM 0 HE ARG A 36 -2.687 -3.482 -14.424 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -2.753 -3.048 -17.969 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -4.384 -2.371 -17.972 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -4.761 -2.625 -14.443 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -5.525 -2.132 -15.958 1.00 0.00 H new ATOM 537 N GLY A 37 3.764 -3.505 -14.038 1.00 0.00 N ATOM 538 CA GLY A 37 4.823 -3.066 -13.148 1.00 0.00 C ATOM 539 C GLY A 37 4.790 -3.843 -11.830 1.00 0.00 C ATOM 540 O GLY A 37 4.772 -5.072 -11.831 1.00 0.00 O ATOM 0 H GLY A 37 4.043 -4.216 -14.714 1.00 0.00 H new ATOM 0 HA2 GLY A 37 5.790 -3.205 -13.632 1.00 0.00 H new ATOM 0 HA3 GLY A 37 4.716 -2.000 -12.948 1.00 0.00 H new ATOM 544 N LYS A 38 4.781 -3.093 -10.737 1.00 0.00 N ATOM 545 CA LYS A 38 4.749 -3.698 -9.416 1.00 0.00 C ATOM 546 C LYS A 38 3.307 -3.728 -8.907 1.00 0.00 C ATOM 547 O LYS A 38 2.373 -3.468 -9.665 1.00 0.00 O ATOM 548 CB LYS A 38 5.719 -2.979 -8.475 1.00 0.00 C ATOM 549 CG LYS A 38 6.898 -2.386 -9.250 1.00 0.00 C ATOM 550 CD LYS A 38 7.422 -3.374 -10.293 1.00 0.00 C ATOM 551 CE LYS A 38 8.950 -3.357 -10.345 1.00 0.00 C ATOM 552 NZ LYS A 38 9.419 -2.661 -11.564 1.00 0.00 N ATOM 0 H LYS A 38 4.795 -2.073 -10.739 1.00 0.00 H new ATOM 0 HA LYS A 38 5.092 -4.732 -9.462 1.00 0.00 H new ATOM 0 HB2 LYS A 38 5.194 -2.186 -7.942 1.00 0.00 H new ATOM 0 HB3 LYS A 38 6.088 -3.678 -7.724 1.00 0.00 H new ATOM 0 HG2 LYS A 38 6.588 -1.464 -9.741 1.00 0.00 H new ATOM 0 HG3 LYS A 38 7.698 -2.125 -8.558 1.00 0.00 H new ATOM 0 HD2 LYS A 38 7.074 -4.379 -10.054 1.00 0.00 H new ATOM 0 HD3 LYS A 38 7.018 -3.121 -11.273 1.00 0.00 H new ATOM 0 HE2 LYS A 38 9.344 -2.858 -9.460 1.00 0.00 H new ATOM 0 HE3 LYS A 38 9.332 -4.378 -10.332 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 10.459 -2.658 -11.584 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 9.058 -3.154 -12.406 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 9.070 -1.681 -11.560 1.00 0.00 H new ATOM 566 N VAL A 39 3.170 -4.047 -7.628 1.00 0.00 N ATOM 567 CA VAL A 39 1.858 -4.114 -7.011 1.00 0.00 C ATOM 568 C VAL A 39 1.652 -2.885 -6.123 1.00 0.00 C ATOM 569 O VAL A 39 2.381 -1.902 -6.241 1.00 0.00 O ATOM 570 CB VAL A 39 1.705 -5.434 -6.251 1.00 0.00 C ATOM 571 CG1 VAL A 39 0.231 -5.828 -6.130 1.00 0.00 C ATOM 572 CG2 VAL A 39 2.518 -6.547 -6.914 1.00 0.00 C ATOM 0 H VAL A 39 3.947 -4.262 -7.003 1.00 0.00 H new ATOM 0 HA VAL A 39 1.077 -4.099 -7.771 1.00 0.00 H new ATOM 0 HB VAL A 39 2.097 -5.289 -5.244 1.00 0.00 H new ATOM 0 HG11 VAL A 39 0.149 -6.769 -5.586 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -0.311 -5.050 -5.592 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -0.197 -5.946 -7.125 1.00 0.00 H new ATOM 0 HG21 VAL A 39 2.391 -7.473 -6.354 1.00 0.00 H new ATOM 0 HG22 VAL A 39 2.171 -6.691 -7.937 1.00 0.00 H new ATOM 0 HG23 VAL A 39 3.572 -6.271 -6.924 1.00 0.00 H new ATOM 582 N VAL A 40 0.656 -2.983 -5.254 1.00 0.00 N ATOM 583 CA VAL A 40 0.346 -1.890 -4.348 1.00 0.00 C ATOM 584 C VAL A 40 -0.300 -2.454 -3.080 1.00 0.00 C ATOM 585 O VAL A 40 -1.517 -2.383 -2.914 1.00 0.00 O ATOM 586 CB VAL A 40 -0.531 -0.855 -5.055 1.00 0.00 C ATOM 587 CG1 VAL A 40 -0.376 0.525 -4.413 1.00 0.00 C ATOM 588 CG2 VAL A 40 -0.216 -0.802 -6.551 1.00 0.00 C ATOM 0 H VAL A 40 0.054 -3.801 -5.158 1.00 0.00 H new ATOM 0 HA VAL A 40 1.257 -1.373 -4.048 1.00 0.00 H new ATOM 0 HB VAL A 40 -1.571 -1.162 -4.941 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -1.010 1.242 -4.934 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -0.672 0.474 -3.365 1.00 0.00 H new ATOM 0 HG13 VAL A 40 0.664 0.843 -4.481 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -0.853 -0.059 -7.031 1.00 0.00 H new ATOM 0 HG22 VAL A 40 0.830 -0.530 -6.693 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -0.400 -1.780 -6.997 1.00 0.00 H new ATOM 598 N GLU A 41 0.545 -3.001 -2.218 1.00 0.00 N ATOM 599 CA GLU A 41 0.072 -3.576 -0.971 1.00 0.00 C ATOM 600 C GLU A 41 0.122 -2.534 0.149 1.00 0.00 C ATOM 601 O GLU A 41 0.943 -2.634 1.059 1.00 0.00 O ATOM 602 CB GLU A 41 0.883 -4.820 -0.597 1.00 0.00 C ATOM 603 CG GLU A 41 1.108 -5.714 -1.820 1.00 0.00 C ATOM 604 CD GLU A 41 0.799 -7.176 -1.492 1.00 0.00 C ATOM 605 OE1 GLU A 41 0.992 -7.609 -0.346 1.00 0.00 O ATOM 606 OE2 GLU A 41 0.341 -7.870 -2.477 1.00 0.00 O ATOM 0 H GLU A 41 1.554 -3.058 -2.359 1.00 0.00 H new ATOM 0 HA GLU A 41 -0.964 -3.885 -1.108 1.00 0.00 H new ATOM 0 HB2 GLU A 41 1.844 -4.520 -0.179 1.00 0.00 H new ATOM 0 HB3 GLU A 41 0.360 -5.381 0.177 1.00 0.00 H new ATOM 0 HG2 GLU A 41 0.474 -5.380 -2.641 1.00 0.00 H new ATOM 0 HG3 GLU A 41 2.141 -5.623 -2.157 1.00 0.00 H new ATOM 614 N LEU A 42 -0.767 -1.556 0.043 1.00 0.00 N ATOM 615 CA LEU A 42 -0.834 -0.497 1.034 1.00 0.00 C ATOM 616 C LEU A 42 -1.308 -1.078 2.366 1.00 0.00 C ATOM 617 O LEU A 42 -1.506 -2.287 2.485 1.00 0.00 O ATOM 618 CB LEU A 42 -1.698 0.659 0.525 1.00 0.00 C ATOM 619 CG LEU A 42 -1.662 0.911 -0.983 1.00 0.00 C ATOM 620 CD1 LEU A 42 -2.894 0.317 -1.668 1.00 0.00 C ATOM 621 CD2 LEU A 42 -1.499 2.402 -1.287 1.00 0.00 C ATOM 0 H LEU A 42 -1.446 -1.476 -0.714 1.00 0.00 H new ATOM 0 HA LEU A 42 0.156 -0.074 1.206 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -2.731 0.470 0.817 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -1.385 1.571 1.033 1.00 0.00 H new ATOM 0 HG LEU A 42 -0.790 0.402 -1.393 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -2.843 0.510 -2.740 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -2.924 -0.759 -1.494 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -3.794 0.775 -1.259 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -1.476 2.553 -2.366 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -2.337 2.954 -0.861 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -0.568 2.763 -0.851 1.00 0.00 H new ATOM 633 N GLY A 43 -1.476 -0.193 3.338 1.00 0.00 N ATOM 634 CA GLY A 43 -1.922 -0.604 4.657 1.00 0.00 C ATOM 635 C GLY A 43 -1.508 0.417 5.719 1.00 0.00 C ATOM 636 O GLY A 43 -1.417 1.611 5.435 1.00 0.00 O ATOM 0 H GLY A 43 -1.311 0.808 3.237 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -3.006 -0.717 4.659 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -1.499 -1.579 4.900 1.00 0.00 H new ATOM 640 N CYS A 44 -1.270 -0.090 6.919 1.00 0.00 N ATOM 641 CA CYS A 44 -0.869 0.764 8.025 1.00 0.00 C ATOM 642 C CYS A 44 0.590 0.452 8.368 1.00 0.00 C ATOM 643 O CYS A 44 1.065 -0.656 8.123 1.00 0.00 O ATOM 644 CB CYS A 44 -1.788 0.591 9.236 1.00 0.00 C ATOM 645 SG CYS A 44 -3.539 0.692 8.711 1.00 0.00 S ATOM 0 H CYS A 44 -1.347 -1.080 7.150 1.00 0.00 H new ATOM 0 HA CYS A 44 -0.958 1.810 7.730 1.00 0.00 H new ATOM 0 HB2 CYS A 44 -1.598 -0.370 9.713 1.00 0.00 H new ATOM 0 HB3 CYS A 44 -1.577 1.362 9.977 1.00 0.00 H new ATOM 0 HG CYS A 44 -3.824 1.917 8.382 1.00 0.00 H new ATOM 651 N ALA A 45 1.259 1.449 8.928 1.00 0.00 N ATOM 652 CA ALA A 45 2.652 1.296 9.306 1.00 0.00 C ATOM 653 C ALA A 45 3.055 2.445 10.234 1.00 0.00 C ATOM 654 O ALA A 45 2.574 3.568 10.081 1.00 0.00 O ATOM 655 CB ALA A 45 3.520 1.232 8.047 1.00 0.00 C ATOM 0 H ALA A 45 0.861 2.366 9.129 1.00 0.00 H new ATOM 0 HA ALA A 45 2.800 0.364 9.852 1.00 0.00 H new ATOM 0 HB1 ALA A 45 4.566 1.117 8.332 1.00 0.00 H new ATOM 0 HB2 ALA A 45 3.214 0.382 7.437 1.00 0.00 H new ATOM 0 HB3 ALA A 45 3.399 2.151 7.474 1.00 0.00 H new ATOM 661 N ALA A 46 3.932 2.126 11.173 1.00 0.00 N ATOM 662 CA ALA A 46 4.404 3.117 12.125 1.00 0.00 C ATOM 663 C ALA A 46 4.923 4.339 11.365 1.00 0.00 C ATOM 664 O ALA A 46 4.577 5.473 11.696 1.00 0.00 O ATOM 665 CB ALA A 46 5.471 2.494 13.025 1.00 0.00 C ATOM 0 H ALA A 46 4.329 1.194 11.295 1.00 0.00 H new ATOM 0 HA ALA A 46 3.590 3.449 12.769 1.00 0.00 H new ATOM 0 HB1 ALA A 46 5.825 3.238 13.739 1.00 0.00 H new ATOM 0 HB2 ALA A 46 5.044 1.648 13.564 1.00 0.00 H new ATOM 0 HB3 ALA A 46 6.307 2.151 12.415 1.00 0.00 H new ATOM 671 N THR A 47 5.743 4.068 10.362 1.00 0.00 N ATOM 672 CA THR A 47 6.314 5.131 9.553 1.00 0.00 C ATOM 673 C THR A 47 6.810 4.578 8.216 1.00 0.00 C ATOM 674 O THR A 47 7.002 3.372 8.073 1.00 0.00 O ATOM 675 CB THR A 47 7.412 5.814 10.374 1.00 0.00 C ATOM 676 OG1 THR A 47 8.210 4.733 10.848 1.00 0.00 O ATOM 677 CG2 THR A 47 6.871 6.465 11.647 1.00 0.00 C ATOM 0 H THR A 47 6.026 3.127 10.090 1.00 0.00 H new ATOM 0 HA THR A 47 5.564 5.880 9.300 1.00 0.00 H new ATOM 0 HB THR A 47 7.907 6.569 9.764 1.00 0.00 H new ATOM 0 HG1 THR A 47 8.948 5.084 11.389 1.00 0.00 H new ATOM 0 HG21 THR A 47 7.690 6.935 12.192 1.00 0.00 H new ATOM 0 HG22 THR A 47 6.131 7.220 11.383 1.00 0.00 H new ATOM 0 HG23 THR A 47 6.406 5.705 12.275 1.00 0.00 H new ATOM 685 N CYS A 48 7.003 5.486 7.270 1.00 0.00 N ATOM 686 CA CYS A 48 7.472 5.104 5.950 1.00 0.00 C ATOM 687 C CYS A 48 8.424 3.915 6.103 1.00 0.00 C ATOM 688 O CYS A 48 9.606 4.096 6.395 1.00 0.00 O ATOM 689 CB CYS A 48 8.136 6.275 5.224 1.00 0.00 C ATOM 690 SG CYS A 48 7.718 7.849 6.061 1.00 0.00 S ATOM 0 H CYS A 48 6.843 6.486 7.392 1.00 0.00 H new ATOM 0 HA CYS A 48 6.623 4.812 5.331 1.00 0.00 H new ATOM 0 HB2 CYS A 48 9.217 6.138 5.208 1.00 0.00 H new ATOM 0 HB3 CYS A 48 7.804 6.306 4.186 1.00 0.00 H new ATOM 0 HG CYS A 48 6.451 7.864 6.350 1.00 0.00 H new ATOM 696 N PRO A 49 7.859 2.695 5.897 1.00 0.00 N ATOM 697 CA PRO A 49 8.644 1.478 6.009 1.00 0.00 C ATOM 698 C PRO A 49 9.557 1.300 4.796 1.00 0.00 C ATOM 699 O PRO A 49 10.360 0.370 4.749 1.00 0.00 O ATOM 700 CB PRO A 49 7.621 0.363 6.153 1.00 0.00 C ATOM 701 CG PRO A 49 6.306 0.937 5.651 1.00 0.00 C ATOM 702 CD PRO A 49 6.462 2.445 5.551 1.00 0.00 C ATOM 0 HA PRO A 49 9.322 1.491 6.863 1.00 0.00 H new ATOM 0 HB2 PRO A 49 7.912 -0.512 5.572 1.00 0.00 H new ATOM 0 HB3 PRO A 49 7.536 0.042 7.191 1.00 0.00 H new ATOM 0 HG2 PRO A 49 6.052 0.515 4.679 1.00 0.00 H new ATOM 0 HG3 PRO A 49 5.494 0.682 6.332 1.00 0.00 H new ATOM 0 HD2 PRO A 49 6.232 2.801 4.547 1.00 0.00 H new ATOM 0 HD3 PRO A 49 5.786 2.960 6.234 1.00 0.00 H new ATOM 710 N SER A 50 9.403 2.207 3.841 1.00 0.00 N ATOM 711 CA SER A 50 10.203 2.160 2.628 1.00 0.00 C ATOM 712 C SER A 50 11.522 1.434 2.901 1.00 0.00 C ATOM 713 O SER A 50 12.134 1.624 3.950 1.00 0.00 O ATOM 714 CB SER A 50 10.473 3.568 2.093 1.00 0.00 C ATOM 715 OG SER A 50 10.064 3.709 0.736 1.00 0.00 O ATOM 0 H SER A 50 8.737 2.978 3.883 1.00 0.00 H new ATOM 0 HA SER A 50 9.644 1.613 1.869 1.00 0.00 H new ATOM 0 HB2 SER A 50 9.946 4.297 2.708 1.00 0.00 H new ATOM 0 HB3 SER A 50 11.537 3.790 2.176 1.00 0.00 H new ATOM 0 HG SER A 50 9.133 3.417 0.643 1.00 0.00 H new ATOM 721 N LYS A 51 11.921 0.617 1.935 1.00 0.00 N ATOM 722 CA LYS A 51 13.156 -0.138 2.058 1.00 0.00 C ATOM 723 C LYS A 51 14.292 0.639 1.389 1.00 0.00 C ATOM 724 O LYS A 51 14.661 1.720 1.843 1.00 0.00 O ATOM 725 CB LYS A 51 12.972 -1.555 1.510 1.00 0.00 C ATOM 726 CG LYS A 51 12.434 -2.495 2.589 1.00 0.00 C ATOM 727 CD LYS A 51 13.576 -3.102 3.408 1.00 0.00 C ATOM 728 CE LYS A 51 14.215 -2.052 4.319 1.00 0.00 C ATOM 729 NZ LYS A 51 13.197 -1.446 5.206 1.00 0.00 N ATOM 0 H LYS A 51 11.411 0.462 1.065 1.00 0.00 H new ATOM 0 HA LYS A 51 13.428 -0.259 3.107 1.00 0.00 H new ATOM 0 HB2 LYS A 51 12.284 -1.535 0.664 1.00 0.00 H new ATOM 0 HB3 LYS A 51 13.925 -1.931 1.137 1.00 0.00 H new ATOM 0 HG2 LYS A 51 11.759 -1.949 3.248 1.00 0.00 H new ATOM 0 HG3 LYS A 51 11.851 -3.291 2.125 1.00 0.00 H new ATOM 0 HD2 LYS A 51 13.198 -3.929 4.009 1.00 0.00 H new ATOM 0 HD3 LYS A 51 14.330 -3.514 2.738 1.00 0.00 H new ATOM 0 HE2 LYS A 51 15.001 -2.512 4.918 1.00 0.00 H new ATOM 0 HE3 LYS A 51 14.687 -1.277 3.715 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 13.668 -0.864 5.928 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 12.558 -0.849 4.644 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 12.649 -2.198 5.671 1.00 0.00 H new ATOM 743 N LYS A 52 14.815 0.056 0.320 1.00 0.00 N ATOM 744 CA LYS A 52 15.902 0.678 -0.416 1.00 0.00 C ATOM 745 C LYS A 52 15.909 0.152 -1.853 1.00 0.00 C ATOM 746 O LYS A 52 15.905 0.932 -2.805 1.00 0.00 O ATOM 747 CB LYS A 52 17.229 0.479 0.318 1.00 0.00 C ATOM 748 CG LYS A 52 17.145 0.999 1.754 1.00 0.00 C ATOM 749 CD LYS A 52 16.840 -0.140 2.731 1.00 0.00 C ATOM 750 CE LYS A 52 16.712 0.385 4.163 1.00 0.00 C ATOM 751 NZ LYS A 52 17.460 -0.480 5.101 1.00 0.00 N ATOM 0 H LYS A 52 14.506 -0.841 -0.054 1.00 0.00 H new ATOM 0 HA LYS A 52 15.754 1.756 -0.473 1.00 0.00 H new ATOM 0 HB2 LYS A 52 17.489 -0.579 0.325 1.00 0.00 H new ATOM 0 HB3 LYS A 52 18.025 0.999 -0.215 1.00 0.00 H new ATOM 0 HG2 LYS A 52 18.086 1.476 2.028 1.00 0.00 H new ATOM 0 HG3 LYS A 52 16.369 1.761 1.824 1.00 0.00 H new ATOM 0 HD2 LYS A 52 15.915 -0.637 2.438 1.00 0.00 H new ATOM 0 HD3 LYS A 52 17.632 -0.887 2.683 1.00 0.00 H new ATOM 0 HE2 LYS A 52 17.092 1.405 4.218 1.00 0.00 H new ATOM 0 HE3 LYS A 52 15.661 0.421 4.451 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 17.363 -0.109 6.068 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 17.079 -1.447 5.061 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 18.465 -0.493 4.835 1.00 0.00 H new ATOM 765 N PRO A 53 15.917 -1.204 -1.967 1.00 0.00 N ATOM 766 CA PRO A 53 15.924 -1.845 -3.271 1.00 0.00 C ATOM 767 C PRO A 53 14.545 -1.763 -3.930 1.00 0.00 C ATOM 768 O PRO A 53 14.131 -0.696 -4.380 1.00 0.00 O ATOM 769 CB PRO A 53 16.370 -3.273 -3.005 1.00 0.00 C ATOM 770 CG PRO A 53 16.150 -3.509 -1.520 1.00 0.00 C ATOM 771 CD PRO A 53 15.921 -2.158 -0.863 1.00 0.00 C ATOM 0 HA PRO A 53 16.596 -1.356 -3.976 1.00 0.00 H new ATOM 0 HB2 PRO A 53 15.794 -3.980 -3.602 1.00 0.00 H new ATOM 0 HB3 PRO A 53 17.418 -3.411 -3.271 1.00 0.00 H new ATOM 0 HG2 PRO A 53 15.292 -4.162 -1.360 1.00 0.00 H new ATOM 0 HG3 PRO A 53 17.015 -4.006 -1.080 1.00 0.00 H new ATOM 0 HD2 PRO A 53 14.977 -2.138 -0.319 1.00 0.00 H new ATOM 0 HD3 PRO A 53 16.708 -1.929 -0.145 1.00 0.00 H new ATOM 779 N TYR A 54 13.872 -2.904 -3.964 1.00 0.00 N ATOM 780 CA TYR A 54 12.548 -2.975 -4.560 1.00 0.00 C ATOM 781 C TYR A 54 11.477 -2.515 -3.571 1.00 0.00 C ATOM 782 O TYR A 54 10.671 -1.640 -3.886 1.00 0.00 O ATOM 783 CB TYR A 54 12.316 -4.450 -4.896 1.00 0.00 C ATOM 784 CG TYR A 54 12.890 -5.421 -3.862 1.00 0.00 C ATOM 785 CD1 TYR A 54 14.246 -5.679 -3.835 1.00 0.00 C ATOM 786 CD2 TYR A 54 12.052 -6.039 -2.958 1.00 0.00 C ATOM 787 CE1 TYR A 54 14.785 -6.594 -2.863 1.00 0.00 C ATOM 788 CE2 TYR A 54 12.592 -6.953 -1.983 1.00 0.00 C ATOM 789 CZ TYR A 54 13.932 -7.186 -1.986 1.00 0.00 C ATOM 790 OH TYR A 54 14.441 -8.049 -1.067 1.00 0.00 O ATOM 0 H TYR A 54 14.219 -3.787 -3.589 1.00 0.00 H new ATOM 0 HA TYR A 54 12.487 -2.332 -5.438 1.00 0.00 H new ATOM 0 HB2 TYR A 54 11.244 -4.627 -4.990 1.00 0.00 H new ATOM 0 HB3 TYR A 54 12.761 -4.665 -5.868 1.00 0.00 H new ATOM 0 HD1 TYR A 54 14.902 -5.195 -4.543 1.00 0.00 H new ATOM 0 HD2 TYR A 54 10.991 -5.838 -2.981 1.00 0.00 H new ATOM 0 HE1 TYR A 54 15.844 -6.805 -2.831 1.00 0.00 H new ATOM 0 HE2 TYR A 54 11.948 -7.441 -1.267 1.00 0.00 H new ATOM 0 HH TYR A 54 13.716 -8.395 -0.506 1.00 0.00 H new ATOM 800 N GLU A 55 11.501 -3.125 -2.394 1.00 0.00 N ATOM 801 CA GLU A 55 10.540 -2.788 -1.357 1.00 0.00 C ATOM 802 C GLU A 55 10.246 -1.287 -1.373 1.00 0.00 C ATOM 803 O GLU A 55 10.684 -0.555 -0.487 1.00 0.00 O ATOM 804 CB GLU A 55 11.040 -3.234 0.019 1.00 0.00 C ATOM 805 CG GLU A 55 10.621 -4.675 0.313 1.00 0.00 C ATOM 806 CD GLU A 55 10.896 -5.039 1.774 1.00 0.00 C ATOM 807 OE1 GLU A 55 10.129 -4.642 2.665 1.00 0.00 O ATOM 808 OE2 GLU A 55 11.947 -5.760 1.969 1.00 0.00 O ATOM 0 H GLU A 55 12.170 -3.850 -2.136 1.00 0.00 H new ATOM 0 HA GLU A 55 9.612 -3.322 -1.561 1.00 0.00 H new ATOM 0 HB2 GLU A 55 12.126 -3.152 0.060 1.00 0.00 H new ATOM 0 HB3 GLU A 55 10.641 -2.571 0.787 1.00 0.00 H new ATOM 0 HG2 GLU A 55 9.560 -4.800 0.097 1.00 0.00 H new ATOM 0 HG3 GLU A 55 11.163 -5.356 -0.343 1.00 0.00 H new ATOM 816 N GLU A 56 9.506 -0.871 -2.390 1.00 0.00 N ATOM 817 CA GLU A 56 9.148 0.529 -2.535 1.00 0.00 C ATOM 818 C GLU A 56 7.872 0.833 -1.748 1.00 0.00 C ATOM 819 O GLU A 56 6.768 0.714 -2.277 1.00 0.00 O ATOM 820 CB GLU A 56 8.987 0.906 -4.008 1.00 0.00 C ATOM 821 CG GLU A 56 9.875 2.098 -4.369 1.00 0.00 C ATOM 822 CD GLU A 56 9.228 2.952 -5.462 1.00 0.00 C ATOM 823 OE1 GLU A 56 8.245 3.658 -5.197 1.00 0.00 O ATOM 824 OE2 GLU A 56 9.784 2.863 -6.624 1.00 0.00 O ATOM 0 H GLU A 56 9.144 -1.481 -3.123 1.00 0.00 H new ATOM 0 HA GLU A 56 9.957 1.135 -2.127 1.00 0.00 H new ATOM 0 HB2 GLU A 56 9.245 0.053 -4.636 1.00 0.00 H new ATOM 0 HB3 GLU A 56 7.944 1.149 -4.213 1.00 0.00 H new ATOM 0 HG2 GLU A 56 10.050 2.707 -3.482 1.00 0.00 H new ATOM 0 HG3 GLU A 56 10.848 1.742 -4.709 1.00 0.00 H new ATOM 832 N VAL A 57 8.063 1.222 -0.495 1.00 0.00 N ATOM 833 CA VAL A 57 6.941 1.545 0.369 1.00 0.00 C ATOM 834 C VAL A 57 6.742 3.062 0.393 1.00 0.00 C ATOM 835 O VAL A 57 7.665 3.818 0.096 1.00 0.00 O ATOM 836 CB VAL A 57 7.165 0.948 1.761 1.00 0.00 C ATOM 837 CG1 VAL A 57 5.843 0.821 2.521 1.00 0.00 C ATOM 838 CG2 VAL A 57 7.878 -0.402 1.671 1.00 0.00 C ATOM 0 H VAL A 57 8.979 1.321 -0.058 1.00 0.00 H new ATOM 0 HA VAL A 57 6.022 1.103 -0.016 1.00 0.00 H new ATOM 0 HB VAL A 57 7.808 1.629 2.318 1.00 0.00 H new ATOM 0 HG11 VAL A 57 6.029 0.394 3.507 1.00 0.00 H new ATOM 0 HG12 VAL A 57 5.391 1.807 2.632 1.00 0.00 H new ATOM 0 HG13 VAL A 57 5.166 0.171 1.967 1.00 0.00 H new ATOM 0 HG21 VAL A 57 8.025 -0.804 2.674 1.00 0.00 H new ATOM 0 HG22 VAL A 57 7.272 -1.095 1.087 1.00 0.00 H new ATOM 0 HG23 VAL A 57 8.846 -0.271 1.188 1.00 0.00 H new ATOM 848 N THR A 58 5.530 3.460 0.750 1.00 0.00 N ATOM 849 CA THR A 58 5.196 4.873 0.818 1.00 0.00 C ATOM 850 C THR A 58 4.586 5.213 2.178 1.00 0.00 C ATOM 851 O THR A 58 4.958 4.628 3.194 1.00 0.00 O ATOM 852 CB THR A 58 4.275 5.198 -0.361 1.00 0.00 C ATOM 853 OG1 THR A 58 4.735 4.344 -1.406 1.00 0.00 O ATOM 854 CG2 THR A 58 4.500 6.610 -0.907 1.00 0.00 C ATOM 0 H THR A 58 4.767 2.829 0.995 1.00 0.00 H new ATOM 0 HA THR A 58 6.087 5.495 0.734 1.00 0.00 H new ATOM 0 HB THR A 58 3.236 5.090 -0.051 1.00 0.00 H new ATOM 0 HG1 THR A 58 4.459 3.422 -1.220 1.00 0.00 H new ATOM 0 HG21 THR A 58 3.822 6.790 -1.741 1.00 0.00 H new ATOM 0 HG22 THR A 58 4.308 7.339 -0.120 1.00 0.00 H new ATOM 0 HG23 THR A 58 5.530 6.708 -1.249 1.00 0.00 H new ATOM 862 N CYS A 59 3.657 6.158 2.154 1.00 0.00 N ATOM 863 CA CYS A 59 2.991 6.584 3.374 1.00 0.00 C ATOM 864 C CYS A 59 1.601 7.106 3.004 1.00 0.00 C ATOM 865 O CYS A 59 1.279 7.246 1.825 1.00 0.00 O ATOM 866 CB CYS A 59 3.811 7.629 4.132 1.00 0.00 C ATOM 867 SG CYS A 59 5.087 6.805 5.150 1.00 0.00 S ATOM 0 H CYS A 59 3.350 6.641 1.309 1.00 0.00 H new ATOM 0 HA CYS A 59 2.891 5.737 4.052 1.00 0.00 H new ATOM 0 HB2 CYS A 59 4.283 8.314 3.427 1.00 0.00 H new ATOM 0 HB3 CYS A 59 3.157 8.226 4.767 1.00 0.00 H new ATOM 0 HG CYS A 59 6.242 7.358 4.929 1.00 0.00 H new ATOM 873 N CYS A 60 0.815 7.382 4.033 1.00 0.00 N ATOM 874 CA CYS A 60 -0.532 7.887 3.833 1.00 0.00 C ATOM 875 C CYS A 60 -1.185 8.076 5.204 1.00 0.00 C ATOM 876 O CYS A 60 -1.406 7.108 5.929 1.00 0.00 O ATOM 877 CB CYS A 60 -1.355 6.961 2.933 1.00 0.00 C ATOM 878 SG CYS A 60 -3.012 6.691 3.661 1.00 0.00 S ATOM 0 H CYS A 60 1.086 7.265 5.010 1.00 0.00 H new ATOM 0 HA CYS A 60 -0.489 8.846 3.317 1.00 0.00 H new ATOM 0 HB2 CYS A 60 -1.452 7.398 1.939 1.00 0.00 H new ATOM 0 HB3 CYS A 60 -0.842 6.007 2.813 1.00 0.00 H new ATOM 0 HG CYS A 60 -2.906 6.584 4.952 1.00 0.00 H new ATOM 884 N SER A 61 -1.474 9.331 5.518 1.00 0.00 N ATOM 885 CA SER A 61 -2.095 9.660 6.789 1.00 0.00 C ATOM 886 C SER A 61 -3.542 10.105 6.565 1.00 0.00 C ATOM 887 O SER A 61 -4.415 9.828 7.386 1.00 0.00 O ATOM 888 CB SER A 61 -1.312 10.752 7.520 1.00 0.00 C ATOM 889 OG SER A 61 -1.590 12.049 6.999 1.00 0.00 O ATOM 0 H SER A 61 -1.289 10.132 4.914 1.00 0.00 H new ATOM 0 HA SER A 61 -2.088 8.766 7.413 1.00 0.00 H new ATOM 0 HB2 SER A 61 -1.560 10.727 8.581 1.00 0.00 H new ATOM 0 HB3 SER A 61 -0.244 10.549 7.437 1.00 0.00 H new ATOM 0 HG SER A 61 -1.072 12.718 7.493 1.00 0.00 H new ATOM 895 N THR A 62 -3.751 10.789 5.449 1.00 0.00 N ATOM 896 CA THR A 62 -5.076 11.275 5.106 1.00 0.00 C ATOM 897 C THR A 62 -6.109 10.158 5.256 1.00 0.00 C ATOM 898 O THR A 62 -5.753 8.983 5.333 1.00 0.00 O ATOM 899 CB THR A 62 -5.015 11.861 3.694 1.00 0.00 C ATOM 900 OG1 THR A 62 -3.661 11.660 3.294 1.00 0.00 O ATOM 901 CG2 THR A 62 -5.184 13.381 3.683 1.00 0.00 C ATOM 0 H THR A 62 -3.024 11.018 4.771 1.00 0.00 H new ATOM 0 HA THR A 62 -5.396 12.064 5.787 1.00 0.00 H new ATOM 0 HB THR A 62 -5.790 11.405 3.078 1.00 0.00 H new ATOM 0 HG1 THR A 62 -3.408 10.726 3.452 1.00 0.00 H new ATOM 0 HG21 THR A 62 -5.133 13.745 2.657 1.00 0.00 H new ATOM 0 HG22 THR A 62 -6.151 13.643 4.113 1.00 0.00 H new ATOM 0 HG23 THR A 62 -4.389 13.840 4.271 1.00 0.00 H new ATOM 909 N ASP A 63 -7.370 10.562 5.293 1.00 0.00 N ATOM 910 CA ASP A 63 -8.459 9.610 5.432 1.00 0.00 C ATOM 911 C ASP A 63 -8.595 8.804 4.139 1.00 0.00 C ATOM 912 O ASP A 63 -9.128 9.302 3.147 1.00 0.00 O ATOM 913 CB ASP A 63 -9.787 10.324 5.687 1.00 0.00 C ATOM 914 CG ASP A 63 -10.169 10.471 7.162 1.00 0.00 C ATOM 915 OD1 ASP A 63 -9.806 11.457 7.820 1.00 0.00 O ATOM 916 OD2 ASP A 63 -10.882 9.507 7.639 1.00 0.00 O ATOM 0 H ASP A 63 -7.662 11.537 5.229 1.00 0.00 H new ATOM 0 HA ASP A 63 -8.232 8.960 6.277 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -9.741 11.316 5.238 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -10.580 9.779 5.174 1.00 0.00 H new ATOM 922 N LYS A 64 -8.105 7.575 4.190 1.00 0.00 N ATOM 923 CA LYS A 64 -8.165 6.697 3.034 1.00 0.00 C ATOM 924 C LYS A 64 -7.270 7.255 1.926 1.00 0.00 C ATOM 925 O LYS A 64 -7.702 7.392 0.783 1.00 0.00 O ATOM 926 CB LYS A 64 -9.616 6.479 2.600 1.00 0.00 C ATOM 927 CG LYS A 64 -10.436 5.847 3.725 1.00 0.00 C ATOM 928 CD LYS A 64 -11.930 5.871 3.397 1.00 0.00 C ATOM 929 CE LYS A 64 -12.759 5.344 4.570 1.00 0.00 C ATOM 930 NZ LYS A 64 -14.088 4.890 4.103 1.00 0.00 N ATOM 0 H LYS A 64 -7.664 7.166 5.014 1.00 0.00 H new ATOM 0 HA LYS A 64 -7.780 5.709 3.288 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -10.060 7.432 2.313 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -9.643 5.836 1.720 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -10.111 4.818 3.882 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -10.256 6.384 4.656 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -12.237 6.889 3.159 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -12.121 5.265 2.511 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -12.235 4.519 5.052 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -12.878 6.127 5.319 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -14.638 4.535 4.912 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -14.592 5.687 3.664 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -13.969 4.129 3.405 1.00 0.00 H new ATOM 944 N CYS A 65 -6.038 7.563 2.305 1.00 0.00 N ATOM 945 CA CYS A 65 -5.078 8.105 1.359 1.00 0.00 C ATOM 946 C CYS A 65 -4.157 6.970 0.904 1.00 0.00 C ATOM 947 O CYS A 65 -3.001 7.206 0.553 1.00 0.00 O ATOM 948 CB CYS A 65 -4.290 9.274 1.956 1.00 0.00 C ATOM 949 SG CYS A 65 -3.881 8.921 3.704 1.00 0.00 S ATOM 0 H CYS A 65 -5.683 7.447 3.254 1.00 0.00 H new ATOM 0 HA CYS A 65 -5.606 8.512 0.497 1.00 0.00 H new ATOM 0 HB2 CYS A 65 -3.376 9.437 1.385 1.00 0.00 H new ATOM 0 HB3 CYS A 65 -4.876 10.191 1.888 1.00 0.00 H new ATOM 0 HG CYS A 65 -4.052 7.655 3.943 1.00 0.00 H new ATOM 955 N ASN A 66 -4.704 5.764 0.928 1.00 0.00 N ATOM 956 CA ASN A 66 -3.946 4.591 0.522 1.00 0.00 C ATOM 957 C ASN A 66 -4.497 4.066 -0.805 1.00 0.00 C ATOM 958 O ASN A 66 -4.135 2.976 -1.243 1.00 0.00 O ATOM 959 CB ASN A 66 -4.068 3.473 1.560 1.00 0.00 C ATOM 960 CG ASN A 66 -2.703 3.130 2.159 1.00 0.00 C ATOM 961 OD1 ASN A 66 -2.458 2.029 2.625 1.00 0.00 O ATOM 962 ND2 ASN A 66 -1.829 4.132 2.122 1.00 0.00 N ATOM 0 H ASN A 66 -5.662 5.573 1.222 1.00 0.00 H new ATOM 0 HA ASN A 66 -2.900 4.882 0.424 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -4.750 3.781 2.353 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -4.499 2.586 1.095 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -0.890 4.003 2.498 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -2.098 5.029 1.718 1.00 0.00 H new ATOM 969 N PRO A 67 -5.384 4.890 -1.425 1.00 0.00 N ATOM 970 CA PRO A 67 -5.987 4.521 -2.694 1.00 0.00 C ATOM 971 C PRO A 67 -4.988 4.676 -3.842 1.00 0.00 C ATOM 972 O PRO A 67 -5.135 5.563 -4.681 1.00 0.00 O ATOM 973 CB PRO A 67 -7.199 5.429 -2.834 1.00 0.00 C ATOM 974 CG PRO A 67 -6.967 6.582 -1.871 1.00 0.00 C ATOM 975 CD PRO A 67 -5.835 6.189 -0.935 1.00 0.00 C ATOM 0 HA PRO A 67 -6.285 3.473 -2.728 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -7.301 5.789 -3.858 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -8.118 4.895 -2.591 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -6.712 7.490 -2.417 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -7.874 6.794 -1.305 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -5.029 6.923 -0.958 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -6.179 6.125 0.097 1.00 0.00 H new ATOM 983 N HIS A 68 -3.994 3.800 -3.843 1.00 0.00 N ATOM 984 CA HIS A 68 -2.972 3.830 -4.873 1.00 0.00 C ATOM 985 C HIS A 68 -3.610 4.171 -6.221 1.00 0.00 C ATOM 986 O HIS A 68 -4.811 3.987 -6.407 1.00 0.00 O ATOM 987 CB HIS A 68 -2.192 2.513 -4.903 1.00 0.00 C ATOM 988 CG HIS A 68 -3.065 1.284 -5.002 1.00 0.00 C ATOM 989 ND1 HIS A 68 -2.927 0.346 -6.011 1.00 0.00 N ATOM 990 CD2 HIS A 68 -4.087 0.852 -4.209 1.00 0.00 C ATOM 991 CE1 HIS A 68 -3.831 -0.605 -5.822 1.00 0.00 C ATOM 992 NE2 HIS A 68 -4.550 -0.289 -4.706 1.00 0.00 N ATOM 0 H HIS A 68 -3.875 3.065 -3.146 1.00 0.00 H new ATOM 0 HA HIS A 68 -2.246 4.611 -4.646 1.00 0.00 H new ATOM 0 HB2 HIS A 68 -1.506 2.528 -5.750 1.00 0.00 H new ATOM 0 HB3 HIS A 68 -1.584 2.442 -4.001 1.00 0.00 H new ATOM 0 HD1 HIS A 68 -2.246 0.381 -6.770 1.00 0.00 H new ATOM 0 HD2 HIS A 68 -4.457 1.353 -3.327 1.00 0.00 H new ATOM 0 HE1 HIS A 68 -3.974 -1.477 -6.443 1.00 0.00 H new ATOM 1001 N PRO A 69 -2.755 4.677 -7.149 1.00 0.00 N ATOM 1002 CA PRO A 69 -3.223 5.046 -8.475 1.00 0.00 C ATOM 1003 C PRO A 69 -3.477 3.805 -9.333 1.00 0.00 C ATOM 1004 O PRO A 69 -2.537 3.179 -9.818 1.00 0.00 O ATOM 1005 CB PRO A 69 -2.137 5.946 -9.040 1.00 0.00 C ATOM 1006 CG PRO A 69 -0.895 5.674 -8.206 1.00 0.00 C ATOM 1007 CD PRO A 69 -1.326 4.908 -6.965 1.00 0.00 C ATOM 0 HA PRO A 69 -4.181 5.566 -8.452 1.00 0.00 H new ATOM 0 HB2 PRO A 69 -1.957 5.727 -10.092 1.00 0.00 H new ATOM 0 HB3 PRO A 69 -2.427 6.995 -8.978 1.00 0.00 H new ATOM 0 HG2 PRO A 69 -0.170 5.096 -8.779 1.00 0.00 H new ATOM 0 HG3 PRO A 69 -0.409 6.609 -7.928 1.00 0.00 H new ATOM 0 HD2 PRO A 69 -0.782 3.968 -6.871 1.00 0.00 H new ATOM 0 HD3 PRO A 69 -1.131 5.481 -6.059 1.00 0.00 H new ATOM 1015 N LYS A 70 -4.753 3.486 -9.493 1.00 0.00 N ATOM 1016 CA LYS A 70 -5.143 2.330 -10.283 1.00 0.00 C ATOM 1017 C LYS A 70 -6.608 2.473 -10.699 1.00 0.00 C ATOM 1018 O LYS A 70 -6.970 2.156 -11.831 1.00 0.00 O ATOM 1019 CB LYS A 70 -4.841 1.036 -9.524 1.00 0.00 C ATOM 1020 CG LYS A 70 -3.982 1.312 -8.289 1.00 0.00 C ATOM 1021 CD LYS A 70 -4.719 2.215 -7.298 1.00 0.00 C ATOM 1022 CE LYS A 70 -6.202 1.847 -7.219 1.00 0.00 C ATOM 1023 NZ LYS A 70 -6.971 2.931 -6.569 1.00 0.00 N ATOM 0 H LYS A 70 -5.531 4.008 -9.089 1.00 0.00 H new ATOM 0 HA LYS A 70 -4.555 2.278 -11.200 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -5.775 0.561 -9.223 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -4.325 0.337 -10.182 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -3.722 0.371 -7.805 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -3.047 1.784 -8.590 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -4.265 2.124 -6.311 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -4.615 3.256 -7.603 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -6.592 1.667 -8.221 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -6.323 0.920 -6.658 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -7.761 2.522 -6.030 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -6.349 3.459 -5.924 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -7.345 3.575 -7.295 1.00 0.00 H new ATOM 1037 N GLN A 71 -7.413 2.950 -9.762 1.00 0.00 N ATOM 1038 CA GLN A 71 -8.830 3.138 -10.016 1.00 0.00 C ATOM 1039 C GLN A 71 -9.037 4.048 -11.228 1.00 0.00 C ATOM 1040 O GLN A 71 -9.335 5.233 -11.076 1.00 0.00 O ATOM 1041 CB GLN A 71 -9.540 3.699 -8.781 1.00 0.00 C ATOM 1042 CG GLN A 71 -9.892 2.582 -7.797 1.00 0.00 C ATOM 1043 CD GLN A 71 -10.255 3.155 -6.425 1.00 0.00 C ATOM 1044 OE1 GLN A 71 -9.375 2.872 -5.470 1.00 0.00 O flip ATOM 1045 NE2 GLN A 71 -11.269 3.813 -6.247 1.00 0.00 N flip ATOM 0 H GLN A 71 -7.110 3.212 -8.824 1.00 0.00 H new ATOM 0 HA GLN A 71 -9.271 2.166 -10.237 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -8.900 4.432 -8.291 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -10.448 4.221 -9.084 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -10.728 2.000 -8.185 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -9.048 1.900 -7.698 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -11.903 3.993 -7.025 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -11.481 4.182 -5.320 1.00 0.00 H new ATOM 1054 N ARG A 72 -8.868 3.462 -12.404 1.00 0.00 N ATOM 1055 CA ARG A 72 -9.029 4.207 -13.641 1.00 0.00 C ATOM 1056 C ARG A 72 -9.091 3.249 -14.833 1.00 0.00 C ATOM 1057 O ARG A 72 -8.372 2.252 -14.870 1.00 0.00 O ATOM 1058 CB ARG A 72 -7.879 5.193 -13.846 1.00 0.00 C ATOM 1059 CG ARG A 72 -7.991 5.892 -15.203 1.00 0.00 C ATOM 1060 CD ARG A 72 -6.652 6.508 -15.615 1.00 0.00 C ATOM 1061 NE ARG A 72 -6.769 7.123 -16.955 1.00 0.00 N ATOM 1062 CZ ARG A 72 -5.736 7.670 -17.630 1.00 0.00 C ATOM 1063 NH1 ARG A 72 -4.497 7.684 -17.093 1.00 0.00 N ATOM 1064 NH2 ARG A 72 -5.954 8.192 -18.823 1.00 0.00 N ATOM 0 H ARG A 72 -8.621 2.480 -12.526 1.00 0.00 H new ATOM 0 HA ARG A 72 -9.962 4.767 -13.571 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -7.886 5.936 -13.049 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -6.927 4.666 -13.782 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -8.314 5.176 -15.959 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -8.753 6.670 -15.154 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -6.348 7.260 -14.886 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -5.877 5.741 -15.624 1.00 0.00 H new ATOM 0 HE ARG A 72 -7.688 7.135 -17.397 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -4.336 7.279 -16.171 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -3.722 8.099 -17.610 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -6.893 8.178 -19.222 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -5.184 8.609 -19.346 1.00 0.00 H new ATOM 1078 N PRO A 73 -9.977 3.594 -15.804 1.00 0.00 N ATOM 1079 CA PRO A 73 -10.142 2.777 -16.993 1.00 0.00 C ATOM 1080 C PRO A 73 -8.965 2.964 -17.954 1.00 0.00 C ATOM 1081 O PRO A 73 -8.789 4.040 -18.525 1.00 0.00 O ATOM 1082 CB PRO A 73 -11.470 3.212 -17.591 1.00 0.00 C ATOM 1083 CG PRO A 73 -11.777 4.570 -16.980 1.00 0.00 C ATOM 1084 CD PRO A 73 -10.845 4.769 -15.795 1.00 0.00 C ATOM 0 HA PRO A 73 -10.152 1.710 -16.771 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -11.406 3.278 -18.677 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -12.256 2.493 -17.361 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -11.633 5.361 -17.716 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -12.818 4.618 -16.660 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -10.268 5.688 -15.895 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -11.402 4.843 -14.861 1.00 0.00 H new ATOM 1092 N GLY A 74 -8.190 1.900 -18.104 1.00 0.00 N ATOM 1093 CA GLY A 74 -7.034 1.933 -18.984 1.00 0.00 C ATOM 1094 C GLY A 74 -6.350 0.565 -19.043 1.00 0.00 C ATOM 1095 O GLY A 74 -5.458 0.350 -19.861 1.00 0.00 O ATOM 0 H GLY A 74 -8.340 1.009 -17.631 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -7.343 2.232 -19.985 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -6.326 2.683 -18.632 1.00 0.00 H new TER 1099 GLY A 74 ATOM 1100 N HIS B 1 -7.119 -10.490 -10.829 1.00 0.00 N ATOM 1101 CA HIS B 1 -7.463 -10.112 -9.471 1.00 0.00 C ATOM 1102 C HIS B 1 -6.208 -9.637 -8.736 1.00 0.00 C ATOM 1103 O HIS B 1 -5.433 -10.450 -8.234 1.00 0.00 O ATOM 1104 CB HIS B 1 -8.171 -11.262 -8.750 1.00 0.00 C ATOM 1105 CG HIS B 1 -8.630 -10.921 -7.351 1.00 0.00 C ATOM 1106 ND1 HIS B 1 -7.774 -10.424 -6.383 1.00 0.00 N ATOM 1107 CD2 HIS B 1 -9.860 -11.010 -6.769 1.00 0.00 C ATOM 1108 CE1 HIS B 1 -8.470 -10.228 -5.272 1.00 0.00 C ATOM 1109 NE2 HIS B 1 -9.761 -10.591 -5.515 1.00 0.00 N ATOM 0 H1 HIS B 1 -7.923 -10.983 -11.266 1.00 0.00 H new ATOM 0 H2 HIS B 1 -6.894 -9.637 -11.380 1.00 0.00 H new ATOM 0 H3 HIS B 1 -6.292 -11.121 -10.815 1.00 0.00 H new ATOM 0 HA HIS B 1 -8.168 -9.281 -9.489 1.00 0.00 H new ATOM 0 HB2 HIS B 1 -9.034 -11.570 -9.340 1.00 0.00 H new ATOM 0 HB3 HIS B 1 -7.497 -12.117 -8.702 1.00 0.00 H new ATOM 0 HD2 HIS B 1 -10.762 -11.362 -7.248 1.00 0.00 H new ATOM 0 HE1 HIS B 1 -8.082 -9.848 -4.339 1.00 0.00 H new ATOM 0 HE2 HIS B 1 -10.526 -10.547 -4.842 1.00 0.00 H new ATOM 1118 N ARG B 2 -6.047 -8.324 -8.696 1.00 0.00 N ATOM 1119 CA ARG B 2 -4.899 -7.729 -8.033 1.00 0.00 C ATOM 1120 C ARG B 2 -5.083 -6.216 -7.903 1.00 0.00 C ATOM 1121 O ARG B 2 -5.980 -5.642 -8.519 1.00 0.00 O ATOM 1122 CB ARG B 2 -3.608 -8.015 -8.803 1.00 0.00 C ATOM 1123 CG ARG B 2 -2.795 -9.118 -8.122 1.00 0.00 C ATOM 1124 CD ARG B 2 -1.535 -8.545 -7.468 1.00 0.00 C ATOM 1125 NE ARG B 2 -1.075 -9.441 -6.386 1.00 0.00 N ATOM 1126 CZ ARG B 2 -1.807 -9.745 -5.292 1.00 0.00 C ATOM 1127 NH1 ARG B 2 -3.042 -9.225 -5.129 1.00 0.00 N ATOM 1128 NH2 ARG B 2 -1.298 -10.558 -4.386 1.00 0.00 N ATOM 0 H ARG B 2 -6.693 -7.654 -9.112 1.00 0.00 H new ATOM 0 HA ARG B 2 -4.823 -8.174 -7.041 1.00 0.00 H new ATOM 0 HB2 ARG B 2 -3.848 -8.313 -9.824 1.00 0.00 H new ATOM 0 HB3 ARG B 2 -3.010 -7.106 -8.868 1.00 0.00 H new ATOM 0 HG2 ARG B 2 -3.407 -9.614 -7.369 1.00 0.00 H new ATOM 0 HG3 ARG B 2 -2.517 -9.875 -8.855 1.00 0.00 H new ATOM 0 HD2 ARG B 2 -0.749 -8.429 -8.214 1.00 0.00 H new ATOM 0 HD3 ARG B 2 -1.743 -7.553 -7.066 1.00 0.00 H new ATOM 0 HE ARG B 2 -0.147 -9.856 -6.471 1.00 0.00 H new ATOM 0 HH11 ARG B 2 -3.429 -8.598 -5.835 1.00 0.00 H new ATOM 0 HH12 ARG B 2 -3.589 -9.459 -4.300 1.00 0.00 H new ATOM 0 HH21 ARG B 2 -0.364 -10.947 -4.517 1.00 0.00 H new ATOM 0 HH22 ARG B 2 -1.838 -10.797 -3.554 1.00 0.00 H new ATOM 1142 N TYR B 3 -4.221 -5.614 -7.098 1.00 0.00 N ATOM 1143 CA TYR B 3 -4.279 -4.178 -6.880 1.00 0.00 C ATOM 1144 C TYR B 3 -3.006 -3.495 -7.387 1.00 0.00 C ATOM 1145 O TYR B 3 -2.409 -2.683 -6.681 1.00 0.00 O ATOM 1146 CB TYR B 3 -4.378 -3.986 -5.365 1.00 0.00 C ATOM 1147 CG TYR B 3 -4.616 -5.280 -4.588 1.00 0.00 C ATOM 1148 CD1 TYR B 3 -3.550 -6.092 -4.254 1.00 0.00 C ATOM 1149 CD2 TYR B 3 -5.898 -5.638 -4.220 1.00 0.00 C ATOM 1150 CE1 TYR B 3 -3.775 -7.311 -3.522 1.00 0.00 C ATOM 1151 CE2 TYR B 3 -6.122 -6.857 -3.488 1.00 0.00 C ATOM 1152 CZ TYR B 3 -5.050 -7.634 -3.175 1.00 0.00 C ATOM 1153 OH TYR B 3 -5.263 -8.785 -2.483 1.00 0.00 O ATOM 0 H TYR B 3 -3.479 -6.093 -6.589 1.00 0.00 H new ATOM 0 HA TYR B 3 -5.124 -3.742 -7.413 1.00 0.00 H new ATOM 0 HB2 TYR B 3 -3.458 -3.523 -5.007 1.00 0.00 H new ATOM 0 HB3 TYR B 3 -5.189 -3.291 -5.150 1.00 0.00 H new ATOM 0 HD1 TYR B 3 -2.547 -5.812 -4.542 1.00 0.00 H new ATOM 0 HD2 TYR B 3 -6.732 -5.004 -4.481 1.00 0.00 H new ATOM 0 HE1 TYR B 3 -2.950 -7.955 -3.254 1.00 0.00 H new ATOM 0 HE2 TYR B 3 -7.119 -7.148 -3.194 1.00 0.00 H new ATOM 0 HH TYR B 3 -5.740 -8.583 -1.651 1.00 0.00 H new ATOM 1163 N TYR B 4 -2.629 -3.849 -8.606 1.00 0.00 N ATOM 1164 CA TYR B 4 -1.438 -3.281 -9.215 1.00 0.00 C ATOM 1165 C TYR B 4 -1.514 -1.753 -9.248 1.00 0.00 C ATOM 1166 O TYR B 4 -2.348 -1.155 -8.568 1.00 0.00 O ATOM 1167 CB TYR B 4 -1.407 -3.807 -10.652 1.00 0.00 C ATOM 1168 CG TYR B 4 -0.450 -4.982 -10.864 1.00 0.00 C ATOM 1169 CD1 TYR B 4 -0.882 -6.273 -10.635 1.00 0.00 C ATOM 1170 CD2 TYR B 4 0.843 -4.752 -11.285 1.00 0.00 C ATOM 1171 CE1 TYR B 4 0.018 -7.378 -10.834 1.00 0.00 C ATOM 1172 CE2 TYR B 4 1.743 -5.857 -11.485 1.00 0.00 C ATOM 1173 CZ TYR B 4 1.287 -7.116 -11.250 1.00 0.00 C ATOM 1174 OH TYR B 4 2.137 -8.160 -11.437 1.00 0.00 O ATOM 0 H TYR B 4 -3.127 -4.522 -9.189 1.00 0.00 H new ATOM 0 HA TYR B 4 -0.549 -3.557 -8.648 1.00 0.00 H new ATOM 0 HB2 TYR B 4 -2.413 -4.115 -10.937 1.00 0.00 H new ATOM 0 HB3 TYR B 4 -1.121 -2.994 -11.320 1.00 0.00 H new ATOM 0 HD1 TYR B 4 -1.895 -6.454 -10.307 1.00 0.00 H new ATOM 0 HD2 TYR B 4 1.180 -3.742 -11.465 1.00 0.00 H new ATOM 0 HE1 TYR B 4 -0.306 -8.393 -10.657 1.00 0.00 H new ATOM 0 HE2 TYR B 4 2.758 -5.690 -11.814 1.00 0.00 H new ATOM 0 HH TYR B 4 2.881 -8.094 -10.803 1.00 0.00 H new ATOM 1184 N GLU B 5 -0.631 -1.165 -10.040 1.00 0.00 N ATOM 1185 CA GLU B 5 -0.587 0.282 -10.168 1.00 0.00 C ATOM 1186 C GLU B 5 -1.153 0.712 -11.523 1.00 0.00 C ATOM 1187 O GLU B 5 -0.714 1.711 -12.093 1.00 0.00 O ATOM 1188 CB GLU B 5 0.837 0.806 -9.977 1.00 0.00 C ATOM 1189 CG GLU B 5 1.690 0.544 -11.219 1.00 0.00 C ATOM 1190 CD GLU B 5 2.991 1.351 -11.173 1.00 0.00 C ATOM 1191 OE1 GLU B 5 3.160 2.298 -11.953 1.00 0.00 O ATOM 1192 OE2 GLU B 5 3.842 0.961 -10.284 1.00 0.00 O ATOM 0 H GLU B 5 0.060 -1.664 -10.600 1.00 0.00 H new ATOM 0 HA GLU B 5 -1.207 0.716 -9.383 1.00 0.00 H new ATOM 0 HB2 GLU B 5 0.810 1.876 -9.770 1.00 0.00 H new ATOM 0 HB3 GLU B 5 1.292 0.325 -9.111 1.00 0.00 H new ATOM 0 HG2 GLU B 5 1.920 -0.519 -11.289 1.00 0.00 H new ATOM 0 HG3 GLU B 5 1.126 0.808 -12.114 1.00 0.00 H new ATOM 1200 N SER B 6 -2.116 -0.060 -12.000 1.00 0.00 N ATOM 1201 CA SER B 6 -2.745 0.228 -13.277 1.00 0.00 C ATOM 1202 C SER B 6 -4.242 -0.080 -13.205 1.00 0.00 C ATOM 1203 O SER B 6 -4.964 0.099 -14.184 1.00 0.00 O ATOM 1204 CB SER B 6 -2.092 -0.573 -14.405 1.00 0.00 C ATOM 1205 OG SER B 6 -2.841 -0.497 -15.615 1.00 0.00 O ATOM 0 H SER B 6 -2.477 -0.887 -11.524 1.00 0.00 H new ATOM 0 HA SER B 6 -2.609 1.288 -13.494 1.00 0.00 H new ATOM 0 HB2 SER B 6 -1.083 -0.199 -14.579 1.00 0.00 H new ATOM 0 HB3 SER B 6 -1.997 -1.616 -14.102 1.00 0.00 H new ATOM 0 HG SER B 6 -3.679 -0.016 -15.451 1.00 0.00 H new ATOM 1211 N SER B 7 -4.664 -0.539 -12.036 1.00 0.00 N ATOM 1212 CA SER B 7 -6.061 -0.874 -11.823 1.00 0.00 C ATOM 1213 C SER B 7 -6.285 -1.286 -10.367 1.00 0.00 C ATOM 1214 O SER B 7 -5.328 -1.518 -9.630 1.00 0.00 O ATOM 1215 CB SER B 7 -6.508 -1.994 -12.766 1.00 0.00 C ATOM 1216 OG SER B 7 -7.831 -2.438 -12.477 1.00 0.00 O ATOM 0 H SER B 7 -4.062 -0.687 -11.226 1.00 0.00 H new ATOM 0 HA SER B 7 -6.661 0.009 -12.040 1.00 0.00 H new ATOM 0 HB2 SER B 7 -6.461 -1.641 -13.796 1.00 0.00 H new ATOM 0 HB3 SER B 7 -5.818 -2.834 -12.685 1.00 0.00 H new ATOM 0 HG SER B 7 -8.458 -1.693 -12.588 1.00 0.00 H new ATOM 1222 N LEU B 8 -7.554 -1.363 -9.995 1.00 0.00 N ATOM 1223 CA LEU B 8 -7.917 -1.742 -8.639 1.00 0.00 C ATOM 1224 C LEU B 8 -8.902 -2.911 -8.687 1.00 0.00 C ATOM 1225 O LEU B 8 -8.969 -3.710 -7.754 1.00 0.00 O ATOM 1226 CB LEU B 8 -8.436 -0.530 -7.866 1.00 0.00 C ATOM 1227 CG LEU B 8 -8.349 -0.619 -6.341 1.00 0.00 C ATOM 1228 CD1 LEU B 8 -9.511 -1.434 -5.772 1.00 0.00 C ATOM 1229 CD2 LEU B 8 -6.990 -1.172 -5.902 1.00 0.00 C ATOM 0 H LEU B 8 -8.345 -1.169 -10.609 1.00 0.00 H new ATOM 0 HA LEU B 8 -7.040 -2.088 -8.092 1.00 0.00 H new ATOM 0 HB2 LEU B 8 -7.879 0.349 -8.191 1.00 0.00 H new ATOM 0 HB3 LEU B 8 -9.478 -0.367 -8.142 1.00 0.00 H new ATOM 0 HG LEU B 8 -8.434 0.388 -5.934 1.00 0.00 H new ATOM 0 HD11 LEU B 8 -9.425 -1.482 -4.686 1.00 0.00 H new ATOM 0 HD12 LEU B 8 -10.455 -0.959 -6.041 1.00 0.00 H new ATOM 0 HD13 LEU B 8 -9.483 -2.443 -6.183 1.00 0.00 H new ATOM 0 HD21 LEU B 8 -6.953 -1.225 -4.814 1.00 0.00 H new ATOM 0 HD22 LEU B 8 -6.851 -2.169 -6.319 1.00 0.00 H new ATOM 0 HD23 LEU B 8 -6.197 -0.515 -6.260 1.00 0.00 H new ATOM 1241 N GLU B 9 -9.642 -2.975 -9.784 1.00 0.00 N ATOM 1242 CA GLU B 9 -10.621 -4.032 -9.966 1.00 0.00 C ATOM 1243 C GLU B 9 -9.932 -5.324 -10.413 1.00 0.00 C ATOM 1244 O GLU B 9 -8.960 -5.284 -11.167 1.00 0.00 O ATOM 1245 CB GLU B 9 -11.702 -3.614 -10.965 1.00 0.00 C ATOM 1246 CG GLU B 9 -12.202 -2.198 -10.673 1.00 0.00 C ATOM 1247 CD GLU B 9 -12.770 -2.099 -9.255 1.00 0.00 C ATOM 1248 OE1 GLU B 9 -12.017 -1.873 -8.297 1.00 0.00 O ATOM 1249 OE2 GLU B 9 -14.047 -2.268 -9.168 1.00 0.00 O ATOM 0 H GLU B 9 -9.583 -2.311 -10.556 1.00 0.00 H new ATOM 0 HA GLU B 9 -11.109 -4.216 -9.009 1.00 0.00 H new ATOM 0 HB2 GLU B 9 -11.303 -3.661 -11.978 1.00 0.00 H new ATOM 0 HB3 GLU B 9 -12.536 -4.315 -10.918 1.00 0.00 H new ATOM 0 HG2 GLU B 9 -11.384 -1.488 -10.791 1.00 0.00 H new ATOM 0 HG3 GLU B 9 -12.970 -1.923 -11.396 1.00 0.00 H new ATOM 1257 N PRO B 10 -10.475 -6.467 -9.916 1.00 0.00 N ATOM 1258 CA PRO B 10 -9.923 -7.768 -10.255 1.00 0.00 C ATOM 1259 C PRO B 10 -10.300 -8.167 -11.683 1.00 0.00 C ATOM 1260 O PRO B 10 -10.340 -9.353 -12.009 1.00 0.00 O ATOM 1261 CB PRO B 10 -10.479 -8.718 -9.206 1.00 0.00 C ATOM 1262 CG PRO B 10 -11.681 -8.011 -8.601 1.00 0.00 C ATOM 1263 CD PRO B 10 -11.626 -6.552 -9.021 1.00 0.00 C ATOM 0 HA PRO B 10 -8.833 -7.779 -10.244 1.00 0.00 H new ATOM 0 HB2 PRO B 10 -10.769 -9.668 -9.654 1.00 0.00 H new ATOM 0 HB3 PRO B 10 -9.732 -8.940 -8.444 1.00 0.00 H new ATOM 0 HG2 PRO B 10 -12.607 -8.472 -8.944 1.00 0.00 H new ATOM 0 HG3 PRO B 10 -11.666 -8.096 -7.514 1.00 0.00 H new ATOM 0 HD2 PRO B 10 -12.544 -6.251 -9.526 1.00 0.00 H new ATOM 0 HD3 PRO B 10 -11.507 -5.896 -8.159 1.00 0.00 H new ATOM 1271 N TRP B 11 -10.567 -7.155 -12.496 1.00 0.00 N ATOM 1272 CA TRP B 11 -10.941 -7.386 -13.881 1.00 0.00 C ATOM 1273 C TRP B 11 -9.956 -6.624 -14.770 1.00 0.00 C ATOM 1274 O TRP B 11 -9.560 -7.113 -15.826 1.00 0.00 O ATOM 1275 CB TRP B 11 -12.398 -6.994 -14.129 1.00 0.00 C ATOM 1276 CG TRP B 11 -13.155 -7.957 -15.046 1.00 0.00 C ATOM 1277 CD1 TRP B 11 -13.086 -8.052 -16.380 1.00 0.00 C ATOM 1278 CD2 TRP B 11 -14.104 -8.964 -14.637 1.00 0.00 C ATOM 1279 NE1 TRP B 11 -13.918 -9.044 -16.861 1.00 0.00 N ATOM 1280 CE2 TRP B 11 -14.558 -9.615 -15.766 1.00 0.00 C ATOM 1281 CE3 TRP B 11 -14.567 -9.314 -13.356 1.00 0.00 C ATOM 1282 CZ2 TRP B 11 -15.494 -10.656 -15.728 1.00 0.00 C ATOM 1283 CZ3 TRP B 11 -15.502 -10.354 -13.334 1.00 0.00 C ATOM 1284 CH2 TRP B 11 -15.968 -11.020 -14.462 1.00 0.00 C ATOM 0 H TRP B 11 -10.532 -6.173 -12.222 1.00 0.00 H new ATOM 0 HA TRP B 11 -10.881 -8.447 -14.125 1.00 0.00 H new ATOM 0 HB2 TRP B 11 -12.916 -6.938 -13.172 1.00 0.00 H new ATOM 0 HB3 TRP B 11 -12.425 -5.996 -14.566 1.00 0.00 H new ATOM 0 HD1 TRP B 11 -12.458 -7.431 -17.002 1.00 0.00 H new ATOM 0 HE1 TRP B 11 -14.040 -9.309 -17.838 1.00 0.00 H new ATOM 0 HE3 TRP B 11 -14.227 -8.818 -12.459 1.00 0.00 H new ATOM 0 HZ2 TRP B 11 -15.832 -11.151 -16.626 1.00 0.00 H new ATOM 0 HZ3 TRP B 11 -15.889 -10.661 -12.374 1.00 0.00 H new ATOM 0 HH2 TRP B 11 -16.692 -11.815 -14.362 1.00 0.00 H new ATOM 1295 N TYR B 12 -9.590 -5.437 -14.309 1.00 0.00 N ATOM 1296 CA TYR B 12 -8.659 -4.601 -15.049 1.00 0.00 C ATOM 1297 C TYR B 12 -7.223 -4.826 -14.574 1.00 0.00 C ATOM 1298 O TYR B 12 -6.287 -4.783 -15.371 1.00 0.00 O ATOM 1299 CB TYR B 12 -9.062 -3.155 -14.751 1.00 0.00 C ATOM 1300 CG TYR B 12 -10.287 -2.677 -15.533 1.00 0.00 C ATOM 1301 CD1 TYR B 12 -11.035 -3.579 -16.263 1.00 0.00 C ATOM 1302 CD2 TYR B 12 -10.643 -1.343 -15.510 1.00 0.00 C ATOM 1303 CE1 TYR B 12 -12.187 -3.128 -16.999 1.00 0.00 C ATOM 1304 CE2 TYR B 12 -11.796 -0.894 -16.247 1.00 0.00 C ATOM 1305 CZ TYR B 12 -12.511 -1.808 -16.955 1.00 0.00 C ATOM 1306 OH TYR B 12 -13.600 -1.382 -17.651 1.00 0.00 O ATOM 0 H TYR B 12 -9.921 -5.034 -13.432 1.00 0.00 H new ATOM 0 HA TYR B 12 -8.696 -4.835 -16.113 1.00 0.00 H new ATOM 0 HB2 TYR B 12 -9.264 -3.057 -13.684 1.00 0.00 H new ATOM 0 HB3 TYR B 12 -8.221 -2.500 -14.978 1.00 0.00 H new ATOM 0 HD1 TYR B 12 -10.756 -4.622 -16.282 1.00 0.00 H new ATOM 0 HD2 TYR B 12 -10.057 -0.637 -14.940 1.00 0.00 H new ATOM 0 HE1 TYR B 12 -12.781 -3.823 -17.574 1.00 0.00 H new ATOM 0 HE2 TYR B 12 -12.086 0.146 -16.237 1.00 0.00 H new ATOM 0 HH TYR B 12 -13.711 -0.416 -17.526 1.00 0.00 H new ATOM 1316 N PRO B 13 -7.090 -5.067 -13.241 1.00 0.00 N ATOM 1317 CA PRO B 13 -5.783 -5.299 -12.651 1.00 0.00 C ATOM 1318 C PRO B 13 -5.267 -6.699 -12.991 1.00 0.00 C ATOM 1319 O PRO B 13 -4.072 -6.885 -13.221 1.00 0.00 O ATOM 1320 CB PRO B 13 -5.983 -5.087 -11.158 1.00 0.00 C ATOM 1321 CG PRO B 13 -7.478 -5.202 -10.919 1.00 0.00 C ATOM 1322 CD PRO B 13 -8.175 -5.127 -12.267 1.00 0.00 C ATOM 0 HA PRO B 13 -5.021 -4.623 -13.039 1.00 0.00 H new ATOM 0 HB2 PRO B 13 -5.436 -5.833 -10.581 1.00 0.00 H new ATOM 0 HB3 PRO B 13 -5.612 -4.110 -10.849 1.00 0.00 H new ATOM 0 HG2 PRO B 13 -7.713 -6.142 -10.420 1.00 0.00 H new ATOM 0 HG3 PRO B 13 -7.823 -4.400 -10.266 1.00 0.00 H new ATOM 0 HD2 PRO B 13 -8.810 -5.997 -12.434 1.00 0.00 H new ATOM 0 HD3 PRO B 13 -8.816 -4.248 -12.333 1.00 0.00 H new ATOM 1330 N ASP B 14 -6.193 -7.647 -13.014 1.00 0.00 N ATOM 1331 CA ASP B 14 -5.846 -9.023 -13.323 1.00 0.00 C ATOM 1332 C ASP B 14 -7.119 -9.871 -13.351 1.00 0.00 C ATOM 1333 O ASP B 14 -7.998 -9.650 -14.183 1.00 0.00 O ATOM 1334 CB ASP B 14 -4.913 -9.608 -12.261 1.00 0.00 C ATOM 1335 CG ASP B 14 -4.902 -11.136 -12.179 1.00 0.00 C ATOM 1336 OD1 ASP B 14 -4.763 -11.717 -11.092 1.00 0.00 O ATOM 1337 OD2 ASP B 14 -5.046 -11.742 -13.308 1.00 0.00 O ATOM 0 H ASP B 14 -7.183 -7.489 -12.824 1.00 0.00 H new ATOM 0 HA ASP B 14 -5.344 -9.035 -14.290 1.00 0.00 H new ATOM 0 HB2 ASP B 14 -3.899 -9.263 -12.461 1.00 0.00 H new ATOM 0 HB3 ASP B 14 -5.200 -9.209 -11.288 1.00 0.00 H new TER 1343 ASP B 14