USER MOD reduce.3.24.130724 H: found=0, std=0, add=591, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 591 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 6 THR OG1 : rot -118:sc= -0.723 USER MOD Set 1.2: B 79 TYR OH : rot -164:sc= 0.499 USER MOD Set 2.1: A 47 THR OG1 : rot 79:sc= 0.725 USER MOD Set 2.2: A 50 SER OG : rot 48:sc= 0.864 USER MOD Set 3.1: A 27 MET CE :methyl -140:sc= -3.52 (180deg=-4.64!) USER MOD Set 3.2: A 68 HIS : no HE2:sc= -4.45! C(o=-8!,f=-9!) USER MOD Set 4.1: A 24 TYR OH : rot 30:sc= -0.616 USER MOD Set 4.2: B 76 HIS : no HD1:sc= -0.428 K(o=-1,f=-4.4!) USER MOD Set 5.1: A 8 THR OG1 : rot 86:sc= 0.868 USER MOD Set 5.2: A 12 SER OG : rot 120:sc= 0.0844 USER MOD Set 6.1: A 4 HIS :FLIP no HE2:sc= -0.723 F(o=-11,f=-9.4) USER MOD Set 6.2: A 66 ASN : amide:sc= -8.67! C(o=-9.4!,f=-19!) USER MOD Single : A 1 ILE N :NH3+ -117:sc= -0.0981 (180deg=-1.12) USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 180:sc= 0.0246 USER MOD Single : A 15 THR OG1 : rot 50:sc= 0.109 USER MOD Single : A 21 ASN :FLIP amide:sc= -1.85! C(o=-3!,f=-1.8!) USER MOD Single : A 26 LYS NZ :NH3+ -176:sc= -1.16 (180deg=-1.23) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot -37:sc= 1.02 USER MOD Single : A 38 LYS NZ :NH3+ 138:sc= -0.505 (180deg=-3.04!) USER MOD Single : A 51 LYS NZ :NH3+ 139:sc= -0.903 (180deg=-3.13!) 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 -170:sc= -0.412 USER MOD Single : A 61 SER OG : rot 180:sc= 0.046 USER MOD Single : A 62 THR OG1 : rot 180:sc= 0.0219 USER MOD Single : A 64 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0306) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 GLN : amide:sc= 0.395 X(o=0.4,f=0) USER MOD Single : B 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 80 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ILE A 1 -0.297 10.781 -2.921 1.00 0.00 N ATOM 2 CA ILE A 1 -1.330 11.365 -3.828 1.00 0.00 C ATOM 3 C ILE A 1 -2.632 10.526 -3.920 1.00 0.00 C ATOM 4 O ILE A 1 -2.973 9.833 -2.960 1.00 0.00 O ATOM 5 CB ILE A 1 -0.713 11.743 -5.193 1.00 0.00 C ATOM 6 CG1 ILE A 1 -0.152 10.532 -5.964 1.00 0.00 C ATOM 7 CG2 ILE A 1 0.365 12.822 -4.992 1.00 0.00 C ATOM 8 CD1 ILE A 1 0.048 10.811 -7.460 1.00 0.00 C ATOM 0 H1 ILE A 1 -0.121 11.433 -2.130 1.00 0.00 H new ATOM 0 H2 ILE A 1 -0.636 9.870 -2.550 1.00 0.00 H new ATOM 0 H3 ILE A 1 0.586 10.632 -3.450 1.00 0.00 H new ATOM 0 HA ILE A 1 -1.671 12.295 -3.374 1.00 0.00 H new ATOM 0 HB ILE A 1 -1.516 12.140 -5.814 1.00 0.00 H new ATOM 0 HG12 ILE A 1 0.801 10.239 -5.524 1.00 0.00 H new ATOM 0 HG13 ILE A 1 -0.831 9.687 -5.846 1.00 0.00 H new ATOM 0 HG21 ILE A 1 0.799 13.087 -5.956 1.00 0.00 H new ATOM 0 HG22 ILE A 1 -0.085 13.706 -4.541 1.00 0.00 H new ATOM 0 HG23 ILE A 1 1.146 12.438 -4.336 1.00 0.00 H new ATOM 0 HD11 ILE A 1 0.445 9.920 -7.946 1.00 0.00 H new ATOM 0 HD12 ILE A 1 -0.908 11.076 -7.912 1.00 0.00 H new ATOM 0 HD13 ILE A 1 0.749 11.636 -7.586 1.00 0.00 H new ATOM 22 N VAL A 2 -3.382 10.645 -5.020 1.00 0.00 N ATOM 23 CA VAL A 2 -4.651 9.896 -5.254 1.00 0.00 C ATOM 24 C VAL A 2 -4.322 8.409 -5.512 1.00 0.00 C ATOM 25 O VAL A 2 -4.271 7.964 -6.653 1.00 0.00 O ATOM 26 CB VAL A 2 -5.428 10.518 -6.441 1.00 0.00 C ATOM 27 CG1 VAL A 2 -6.780 9.831 -6.666 1.00 0.00 C ATOM 28 CG2 VAL A 2 -5.686 12.010 -6.275 1.00 0.00 C ATOM 0 H VAL A 2 -3.135 11.267 -5.790 1.00 0.00 H new ATOM 0 HA VAL A 2 -5.289 9.963 -4.373 1.00 0.00 H new ATOM 0 HB VAL A 2 -4.778 10.364 -7.302 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -7.290 10.299 -7.508 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -6.620 8.774 -6.881 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -7.392 9.930 -5.770 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -6.234 12.383 -7.140 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -6.274 12.179 -5.373 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -4.735 12.537 -6.193 1.00 0.00 H new ATOM 38 N CYS A 3 -4.156 7.619 -4.451 1.00 0.00 N ATOM 39 CA CYS A 3 -3.637 6.256 -4.558 1.00 0.00 C ATOM 40 C CYS A 3 -3.831 5.438 -3.285 1.00 0.00 C ATOM 41 O CYS A 3 -4.055 5.995 -2.213 1.00 0.00 O ATOM 42 CB CYS A 3 -2.173 6.243 -5.014 1.00 0.00 C ATOM 43 SG CYS A 3 -0.971 7.268 -4.092 1.00 0.00 S ATOM 0 H CYS A 3 -4.377 7.905 -3.497 1.00 0.00 H new ATOM 0 HA CYS A 3 -4.234 5.767 -5.328 1.00 0.00 H new ATOM 0 HB2 CYS A 3 -1.824 5.211 -4.982 1.00 0.00 H new ATOM 0 HB3 CYS A 3 -2.147 6.557 -6.058 1.00 0.00 H new ATOM 48 N HIS A 4 -3.820 4.129 -3.509 1.00 0.00 N ATOM 49 CA HIS A 4 -4.175 3.050 -2.563 1.00 0.00 C ATOM 50 C HIS A 4 -4.167 3.425 -1.088 1.00 0.00 C ATOM 51 O HIS A 4 -3.132 3.510 -0.436 1.00 0.00 O ATOM 52 CB HIS A 4 -3.332 1.814 -2.891 1.00 0.00 C ATOM 53 CG HIS A 4 -4.000 1.138 -4.097 1.00 0.00 C ATOM 54 ND1 HIS A 4 -3.623 1.248 -5.370 1.00 0.00 N flip ATOM 55 CD2 HIS A 4 -5.235 0.644 -4.114 1.00 0.00 C flip ATOM 56 CE1 HIS A 4 -4.616 0.849 -6.154 1.00 0.00 C flip ATOM 57 NE2 HIS A 4 -5.617 0.485 -5.375 1.00 0.00 N flip ATOM 0 H HIS A 4 -3.545 3.756 -4.418 1.00 0.00 H new ATOM 0 HA HIS A 4 -5.231 2.825 -2.716 1.00 0.00 H new ATOM 0 HB2 HIS A 4 -2.305 2.096 -3.124 1.00 0.00 H new ATOM 0 HB3 HIS A 4 -3.291 1.135 -2.039 1.00 0.00 H new ATOM 0 HD1 HIS A 4 -2.715 1.585 -5.691 1.00 0.00 H new ATOM 0 HD2 HIS A 4 -5.830 0.410 -3.243 1.00 0.00 H new ATOM 0 HE1 HIS A 4 -4.607 0.826 -7.234 1.00 0.00 H new ATOM 65 N THR A 5 -5.346 3.885 -0.677 1.00 0.00 N ATOM 66 CA THR A 5 -5.550 4.501 0.647 1.00 0.00 C ATOM 67 C THR A 5 -6.076 3.472 1.656 1.00 0.00 C ATOM 68 O THR A 5 -5.593 3.336 2.775 1.00 0.00 O ATOM 69 CB THR A 5 -6.413 5.776 0.631 1.00 0.00 C ATOM 70 OG1 THR A 5 -6.342 6.375 1.922 1.00 0.00 O ATOM 71 CG2 THR A 5 -7.888 5.557 0.293 1.00 0.00 C ATOM 0 H THR A 5 -6.191 3.845 -1.246 1.00 0.00 H new ATOM 0 HA THR A 5 -4.564 4.836 0.970 1.00 0.00 H new ATOM 0 HB THR A 5 -6.009 6.405 -0.162 1.00 0.00 H new ATOM 0 HG1 THR A 5 -6.884 7.191 1.934 1.00 0.00 H new ATOM 0 HG21 THR A 5 -8.410 6.514 0.307 1.00 0.00 H new ATOM 0 HG22 THR A 5 -7.972 5.112 -0.699 1.00 0.00 H new ATOM 0 HG23 THR A 5 -8.335 4.889 1.029 1.00 0.00 H new ATOM 79 N THR A 6 -7.064 2.734 1.167 1.00 0.00 N ATOM 80 CA THR A 6 -7.943 1.751 1.873 1.00 0.00 C ATOM 81 C THR A 6 -8.267 2.036 3.350 1.00 0.00 C ATOM 82 O THR A 6 -8.592 1.119 4.098 1.00 0.00 O ATOM 83 CB THR A 6 -7.468 0.308 1.572 1.00 0.00 C ATOM 84 OG1 THR A 6 -8.643 -0.478 1.429 1.00 0.00 O ATOM 85 CG2 THR A 6 -6.432 -0.299 2.529 1.00 0.00 C ATOM 0 H THR A 6 -7.310 2.798 0.179 1.00 0.00 H new ATOM 0 HA THR A 6 -8.937 1.881 1.446 1.00 0.00 H new ATOM 0 HB THR A 6 -6.880 0.329 0.654 1.00 0.00 H new ATOM 0 HG1 THR A 6 -8.654 -1.177 2.115 1.00 0.00 H new ATOM 0 HG21 THR A 6 -6.186 -1.310 2.205 1.00 0.00 H new ATOM 0 HG22 THR A 6 -5.530 0.313 2.524 1.00 0.00 H new ATOM 0 HG23 THR A 6 -6.843 -0.331 3.538 1.00 0.00 H new ATOM 93 N ALA A 7 -8.219 3.310 3.748 1.00 0.00 N ATOM 94 CA ALA A 7 -8.703 3.803 5.059 1.00 0.00 C ATOM 95 C ALA A 7 -10.187 3.474 5.327 1.00 0.00 C ATOM 96 O ALA A 7 -10.621 3.366 6.476 1.00 0.00 O ATOM 97 CB ALA A 7 -8.433 5.300 5.133 1.00 0.00 C ATOM 0 H ALA A 7 -7.836 4.051 3.161 1.00 0.00 H new ATOM 0 HA ALA A 7 -8.159 3.283 5.847 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -8.782 5.686 6.091 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -7.363 5.482 5.036 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -8.961 5.805 4.325 1.00 0.00 H new ATOM 103 N THR A 8 -10.927 3.332 4.239 1.00 0.00 N ATOM 104 CA THR A 8 -12.320 2.834 4.188 1.00 0.00 C ATOM 105 C THR A 8 -12.308 1.313 3.964 1.00 0.00 C ATOM 106 O THR A 8 -11.510 0.797 3.177 1.00 0.00 O ATOM 107 CB THR A 8 -13.036 3.520 3.028 1.00 0.00 C ATOM 108 OG1 THR A 8 -12.173 3.506 1.884 1.00 0.00 O ATOM 109 CG2 THR A 8 -13.459 4.958 3.362 1.00 0.00 C ATOM 0 H THR A 8 -10.568 3.569 3.314 1.00 0.00 H new ATOM 0 HA THR A 8 -12.835 3.052 5.124 1.00 0.00 H new ATOM 0 HB THR A 8 -13.954 2.970 2.821 1.00 0.00 H new ATOM 0 HG1 THR A 8 -12.292 2.665 1.395 1.00 0.00 H new ATOM 0 HG21 THR A 8 -13.963 5.398 2.502 1.00 0.00 H new ATOM 0 HG22 THR A 8 -14.137 4.949 4.215 1.00 0.00 H new ATOM 0 HG23 THR A 8 -12.577 5.549 3.607 1.00 0.00 H new ATOM 117 N SER A 9 -13.294 0.655 4.541 1.00 0.00 N ATOM 118 CA SER A 9 -13.439 -0.816 4.505 1.00 0.00 C ATOM 119 C SER A 9 -13.617 -1.452 3.108 1.00 0.00 C ATOM 120 O SER A 9 -13.273 -2.630 2.952 1.00 0.00 O ATOM 121 CB SER A 9 -14.518 -1.258 5.505 1.00 0.00 C ATOM 122 OG SER A 9 -15.654 -0.405 5.369 1.00 0.00 O ATOM 0 H SER A 9 -14.038 1.121 5.061 1.00 0.00 H new ATOM 0 HA SER A 9 -12.472 -1.213 4.812 1.00 0.00 H new ATOM 0 HB2 SER A 9 -14.801 -2.294 5.320 1.00 0.00 H new ATOM 0 HB3 SER A 9 -14.131 -1.210 6.523 1.00 0.00 H new ATOM 0 HG SER A 9 -16.348 -0.681 6.003 1.00 0.00 H new ATOM 128 N PRO A 10 -14.147 -0.730 2.121 1.00 0.00 N ATOM 129 CA PRO A 10 -13.818 -1.055 0.718 1.00 0.00 C ATOM 130 C PRO A 10 -12.657 -0.208 0.187 1.00 0.00 C ATOM 131 O PRO A 10 -12.563 0.996 0.461 1.00 0.00 O ATOM 132 CB PRO A 10 -15.112 -0.805 -0.064 1.00 0.00 C ATOM 133 CG PRO A 10 -15.786 0.319 0.728 1.00 0.00 C ATOM 134 CD PRO A 10 -15.433 0.011 2.180 1.00 0.00 C ATOM 0 HA PRO A 10 -13.477 -2.085 0.616 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -14.910 -0.508 -1.093 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -15.736 -1.698 -0.107 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -15.414 1.298 0.426 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -16.865 0.326 0.572 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -15.333 0.926 2.763 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -16.210 -0.587 2.656 1.00 0.00 H new ATOM 142 N ILE A 11 -11.649 -0.948 -0.267 1.00 0.00 N ATOM 143 CA ILE A 11 -10.564 -0.479 -1.157 1.00 0.00 C ATOM 144 C ILE A 11 -10.955 0.767 -1.956 1.00 0.00 C ATOM 145 O ILE A 11 -11.961 0.804 -2.669 1.00 0.00 O ATOM 146 CB ILE A 11 -10.046 -1.610 -2.070 1.00 0.00 C ATOM 147 CG1 ILE A 11 -9.611 -2.829 -1.224 1.00 0.00 C ATOM 148 CG2 ILE A 11 -8.835 -1.132 -2.897 1.00 0.00 C ATOM 149 CD1 ILE A 11 -9.603 -4.151 -2.008 1.00 0.00 C ATOM 0 H ILE A 11 -11.552 -1.933 -0.021 1.00 0.00 H new ATOM 0 HA ILE A 11 -9.739 -0.181 -0.510 1.00 0.00 H new ATOM 0 HB ILE A 11 -10.858 -1.893 -2.740 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -8.613 -2.647 -0.826 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -10.282 -2.926 -0.371 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -8.486 -1.945 -3.534 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -9.129 -0.286 -3.518 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -8.033 -0.827 -2.225 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -9.288 -4.962 -1.351 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -10.605 -4.357 -2.384 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -8.910 -4.073 -2.846 1.00 0.00 H new ATOM 161 N SER A 12 -10.326 1.837 -1.486 1.00 0.00 N ATOM 162 CA SER A 12 -10.387 3.170 -2.100 1.00 0.00 C ATOM 163 C SER A 12 -8.964 3.660 -2.376 1.00 0.00 C ATOM 164 O SER A 12 -8.013 3.276 -1.688 1.00 0.00 O ATOM 165 CB SER A 12 -11.118 4.168 -1.204 1.00 0.00 C ATOM 166 OG SER A 12 -12.510 3.872 -1.186 1.00 0.00 O ATOM 0 H SER A 12 -9.744 1.808 -0.649 1.00 0.00 H new ATOM 0 HA SER A 12 -10.945 3.095 -3.033 1.00 0.00 H new ATOM 0 HB2 SER A 12 -10.715 4.125 -0.192 1.00 0.00 H new ATOM 0 HB3 SER A 12 -10.958 5.183 -1.568 1.00 0.00 H new ATOM 0 HG SER A 12 -12.792 3.680 -0.267 1.00 0.00 H new ATOM 172 N ALA A 13 -8.853 4.509 -3.381 1.00 0.00 N ATOM 173 CA ALA A 13 -7.566 5.111 -3.788 1.00 0.00 C ATOM 174 C ALA A 13 -7.706 6.631 -3.904 1.00 0.00 C ATOM 175 O ALA A 13 -8.019 7.179 -4.969 1.00 0.00 O ATOM 176 CB ALA A 13 -7.097 4.447 -5.089 1.00 0.00 C ATOM 0 H ALA A 13 -9.645 4.811 -3.948 1.00 0.00 H new ATOM 0 HA ALA A 13 -6.801 4.933 -3.032 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -6.148 4.884 -5.399 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -6.968 3.377 -4.925 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -7.842 4.608 -5.869 1.00 0.00 H new ATOM 182 N VAL A 14 -7.580 7.280 -2.751 1.00 0.00 N ATOM 183 CA VAL A 14 -7.788 8.743 -2.646 1.00 0.00 C ATOM 184 C VAL A 14 -6.532 9.508 -2.178 1.00 0.00 C ATOM 185 O VAL A 14 -5.477 8.902 -2.016 1.00 0.00 O ATOM 186 CB VAL A 14 -9.048 9.140 -1.853 1.00 0.00 C ATOM 187 CG1 VAL A 14 -10.319 8.754 -2.627 1.00 0.00 C ATOM 188 CG2 VAL A 14 -9.119 8.662 -0.403 1.00 0.00 C ATOM 0 H VAL A 14 -7.336 6.828 -1.870 1.00 0.00 H new ATOM 0 HA VAL A 14 -7.975 9.064 -3.671 1.00 0.00 H new ATOM 0 HB VAL A 14 -8.975 10.224 -1.761 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -11.198 9.043 -2.050 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -10.330 9.269 -3.588 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -10.331 7.677 -2.792 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -10.051 9.004 0.048 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -9.081 7.573 -0.377 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -8.276 9.068 0.156 1.00 0.00 H new ATOM 198 N THR A 15 -6.717 10.797 -1.949 1.00 0.00 N ATOM 199 CA THR A 15 -5.644 11.776 -1.670 1.00 0.00 C ATOM 200 C THR A 15 -4.916 11.623 -0.332 1.00 0.00 C ATOM 201 O THR A 15 -5.408 12.017 0.726 1.00 0.00 O ATOM 202 CB THR A 15 -6.196 13.212 -1.753 1.00 0.00 C ATOM 203 OG1 THR A 15 -7.414 13.277 -1.012 1.00 0.00 O ATOM 204 CG2 THR A 15 -6.402 13.683 -3.189 1.00 0.00 C ATOM 0 H THR A 15 -7.645 11.220 -1.949 1.00 0.00 H new ATOM 0 HA THR A 15 -4.902 11.568 -2.441 1.00 0.00 H new ATOM 0 HB THR A 15 -5.458 13.888 -1.322 1.00 0.00 H new ATOM 0 HG1 THR A 15 -7.277 12.889 -0.123 1.00 0.00 H new ATOM 0 HG21 THR A 15 -6.792 14.701 -3.186 1.00 0.00 H new ATOM 0 HG22 THR A 15 -5.450 13.661 -3.719 1.00 0.00 H new ATOM 0 HG23 THR A 15 -7.111 13.024 -3.690 1.00 0.00 H new ATOM 212 N CYS A 16 -3.796 10.919 -0.413 1.00 0.00 N ATOM 213 CA CYS A 16 -2.698 10.971 0.558 1.00 0.00 C ATOM 214 C CYS A 16 -1.845 12.225 0.238 1.00 0.00 C ATOM 215 O CYS A 16 -1.824 12.668 -0.909 1.00 0.00 O ATOM 216 CB CYS A 16 -1.838 9.705 0.428 1.00 0.00 C ATOM 217 SG CYS A 16 -0.375 9.723 1.517 1.00 0.00 S ATOM 0 H CYS A 16 -3.615 10.272 -1.180 1.00 0.00 H new ATOM 0 HA CYS A 16 -3.084 11.025 1.576 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -2.448 8.832 0.662 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -1.513 9.598 -0.607 1.00 0.00 H new ATOM 222 N PRO A 17 -1.208 12.860 1.240 1.00 0.00 N ATOM 223 CA PRO A 17 -0.256 13.971 0.986 1.00 0.00 C ATOM 224 C PRO A 17 0.887 13.570 0.033 1.00 0.00 C ATOM 225 O PRO A 17 1.371 12.437 0.106 1.00 0.00 O ATOM 226 CB PRO A 17 0.280 14.311 2.374 1.00 0.00 C ATOM 227 CG PRO A 17 -0.919 14.046 3.272 1.00 0.00 C ATOM 228 CD PRO A 17 -1.558 12.794 2.672 1.00 0.00 C ATOM 0 HA PRO A 17 -0.740 14.813 0.491 1.00 0.00 H new ATOM 0 HB2 PRO A 17 1.132 13.687 2.643 1.00 0.00 H new ATOM 0 HB3 PRO A 17 0.611 15.347 2.437 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -0.615 13.883 4.306 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -1.612 14.887 3.272 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -1.169 11.887 3.136 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -2.638 12.789 2.818 1.00 0.00 H new ATOM 236 N PRO A 18 1.197 14.431 -0.955 1.00 0.00 N ATOM 237 CA PRO A 18 2.408 14.290 -1.797 1.00 0.00 C ATOM 238 C PRO A 18 3.721 14.474 -1.018 1.00 0.00 C ATOM 239 O PRO A 18 3.761 15.089 0.037 1.00 0.00 O ATOM 240 CB PRO A 18 2.238 15.326 -2.908 1.00 0.00 C ATOM 241 CG PRO A 18 1.230 16.332 -2.363 1.00 0.00 C ATOM 242 CD PRO A 18 0.308 15.475 -1.497 1.00 0.00 C ATOM 0 HA PRO A 18 2.493 13.278 -2.192 1.00 0.00 H new ATOM 0 HB2 PRO A 18 3.186 15.808 -3.146 1.00 0.00 H new ATOM 0 HB3 PRO A 18 1.876 14.863 -3.826 1.00 0.00 H new ATOM 0 HG2 PRO A 18 1.717 17.113 -1.780 1.00 0.00 H new ATOM 0 HG3 PRO A 18 0.683 16.827 -3.165 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -0.151 16.061 -0.701 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -0.503 15.044 -2.083 1.00 0.00 H new ATOM 250 N GLY A 19 4.766 13.952 -1.643 1.00 0.00 N ATOM 251 CA GLY A 19 6.140 13.873 -1.127 1.00 0.00 C ATOM 252 C GLY A 19 6.858 12.702 -1.838 1.00 0.00 C ATOM 253 O GLY A 19 6.235 11.935 -2.571 1.00 0.00 O ATOM 0 H GLY A 19 4.682 13.548 -2.576 1.00 0.00 H new ATOM 0 HA2 GLY A 19 6.668 14.809 -1.309 1.00 0.00 H new ATOM 0 HA3 GLY A 19 6.132 13.715 -0.049 1.00 0.00 H new ATOM 257 N GLU A 20 8.122 12.489 -1.481 1.00 0.00 N ATOM 258 CA GLU A 20 8.969 11.473 -2.159 1.00 0.00 C ATOM 259 C GLU A 20 8.715 9.976 -1.831 1.00 0.00 C ATOM 260 O GLU A 20 9.532 9.106 -2.149 1.00 0.00 O ATOM 261 CB GLU A 20 10.459 11.818 -2.055 1.00 0.00 C ATOM 262 CG GLU A 20 10.878 13.172 -2.652 1.00 0.00 C ATOM 263 CD GLU A 20 11.029 14.237 -1.563 1.00 0.00 C ATOM 264 OE1 GLU A 20 9.965 14.726 -1.095 1.00 0.00 O ATOM 265 OE2 GLU A 20 12.189 14.523 -1.184 1.00 0.00 O ATOM 0 H GLU A 20 8.593 12.996 -0.732 1.00 0.00 H new ATOM 0 HA GLU A 20 8.633 11.550 -3.193 1.00 0.00 H new ATOM 0 HB2 GLU A 20 10.743 11.803 -1.003 1.00 0.00 H new ATOM 0 HB3 GLU A 20 11.030 11.032 -2.550 1.00 0.00 H new ATOM 0 HG2 GLU A 20 11.821 13.060 -3.187 1.00 0.00 H new ATOM 0 HG3 GLU A 20 10.135 13.496 -3.380 1.00 0.00 H new ATOM 272 N ASN A 21 7.640 9.686 -1.095 1.00 0.00 N ATOM 273 CA ASN A 21 7.054 8.334 -0.954 1.00 0.00 C ATOM 274 C ASN A 21 5.568 8.277 -1.365 1.00 0.00 C ATOM 275 O ASN A 21 4.796 7.438 -0.910 1.00 0.00 O ATOM 276 CB ASN A 21 7.244 7.758 0.458 1.00 0.00 C ATOM 277 CG ASN A 21 6.899 6.274 0.536 1.00 0.00 C ATOM 278 OD1 ASN A 21 6.321 5.899 1.652 1.00 0.00 O flip ATOM 279 ND2 ASN A 21 7.085 5.487 -0.385 1.00 0.00 N flip ATOM 0 H ASN A 21 7.134 10.395 -0.564 1.00 0.00 H new ATOM 0 HA ASN A 21 7.609 7.706 -1.651 1.00 0.00 H new ATOM 0 HB2 ASN A 21 8.278 7.904 0.770 1.00 0.00 H new ATOM 0 HB3 ASN A 21 6.618 8.310 1.159 1.00 0.00 H new ATOM 0 HD21 ASN A 21 7.537 5.804 -1.243 1.00 0.00 H new ATOM 0 HD22 ASN A 21 6.788 4.516 -0.294 1.00 0.00 H new ATOM 286 N LEU A 22 5.160 9.260 -2.164 1.00 0.00 N ATOM 287 CA LEU A 22 4.038 9.125 -3.143 1.00 0.00 C ATOM 288 C LEU A 22 3.019 8.038 -2.866 1.00 0.00 C ATOM 289 O LEU A 22 2.292 8.119 -1.872 1.00 0.00 O ATOM 290 CB LEU A 22 4.684 9.202 -4.559 1.00 0.00 C ATOM 291 CG LEU A 22 6.008 8.460 -4.887 1.00 0.00 C ATOM 292 CD1 LEU A 22 7.240 9.326 -4.687 1.00 0.00 C ATOM 293 CD2 LEU A 22 6.237 7.093 -4.228 1.00 0.00 C ATOM 0 H LEU A 22 5.589 10.186 -2.165 1.00 0.00 H new ATOM 0 HA LEU A 22 3.334 9.951 -3.041 1.00 0.00 H new ATOM 0 HB2 LEU A 22 3.937 8.846 -5.268 1.00 0.00 H new ATOM 0 HB3 LEU A 22 4.850 10.257 -4.775 1.00 0.00 H new ATOM 0 HG LEU A 22 5.861 8.245 -5.945 1.00 0.00 H new ATOM 0 HD11 LEU A 22 8.133 8.751 -4.932 1.00 0.00 H new ATOM 0 HD12 LEU A 22 7.181 10.199 -5.337 1.00 0.00 H new ATOM 0 HD13 LEU A 22 7.292 9.651 -3.648 1.00 0.00 H new ATOM 0 HD21 LEU A 22 7.199 6.692 -4.546 1.00 0.00 H new ATOM 0 HD22 LEU A 22 6.232 7.206 -3.144 1.00 0.00 H new ATOM 0 HD23 LEU A 22 5.443 6.408 -4.525 1.00 0.00 H new ATOM 305 N CYS A 23 3.052 6.975 -3.668 1.00 0.00 N ATOM 306 CA CYS A 23 2.119 5.866 -3.538 1.00 0.00 C ATOM 307 C CYS A 23 2.768 4.560 -3.059 1.00 0.00 C ATOM 308 O CYS A 23 3.449 3.869 -3.803 1.00 0.00 O ATOM 309 CB CYS A 23 1.404 5.674 -4.883 1.00 0.00 C ATOM 310 SG CYS A 23 0.556 7.192 -5.435 1.00 0.00 S ATOM 0 H CYS A 23 3.727 6.862 -4.424 1.00 0.00 H new ATOM 0 HA CYS A 23 1.403 6.122 -2.757 1.00 0.00 H new ATOM 0 HB2 CYS A 23 2.129 5.370 -5.638 1.00 0.00 H new ATOM 0 HB3 CYS A 23 0.678 4.866 -4.795 1.00 0.00 H new ATOM 315 N TYR A 24 2.738 4.457 -1.736 1.00 0.00 N ATOM 316 CA TYR A 24 2.798 3.193 -1.001 1.00 0.00 C ATOM 317 C TYR A 24 2.534 1.873 -1.705 1.00 0.00 C ATOM 318 O TYR A 24 1.404 1.634 -2.111 1.00 0.00 O ATOM 319 CB TYR A 24 1.847 3.308 0.210 1.00 0.00 C ATOM 320 CG TYR A 24 0.604 4.205 0.297 1.00 0.00 C ATOM 321 CD1 TYR A 24 0.028 4.913 -0.785 1.00 0.00 C ATOM 322 CD2 TYR A 24 0.019 4.279 1.572 1.00 0.00 C ATOM 323 CE1 TYR A 24 -1.134 5.685 -0.590 1.00 0.00 C ATOM 324 CE2 TYR A 24 -1.142 5.024 1.795 1.00 0.00 C ATOM 325 CZ TYR A 24 -1.692 5.721 0.704 1.00 0.00 C ATOM 326 OH TYR A 24 -2.850 6.402 0.904 1.00 0.00 O ATOM 0 H TYR A 24 2.669 5.271 -1.125 1.00 0.00 H new ATOM 0 HA TYR A 24 3.859 3.104 -0.769 1.00 0.00 H new ATOM 0 HB2 TYR A 24 1.494 2.295 0.405 1.00 0.00 H new ATOM 0 HB3 TYR A 24 2.476 3.594 1.053 1.00 0.00 H new ATOM 0 HD1 TYR A 24 0.481 4.861 -1.764 1.00 0.00 H new ATOM 0 HD2 TYR A 24 0.475 3.750 2.396 1.00 0.00 H new ATOM 0 HE1 TYR A 24 -1.583 6.232 -1.406 1.00 0.00 H new ATOM 0 HE2 TYR A 24 -1.601 5.063 2.772 1.00 0.00 H new ATOM 0 HH TYR A 24 -3.386 6.384 0.084 1.00 0.00 H new ATOM 336 N ARG A 25 3.432 0.894 -1.608 1.00 0.00 N ATOM 337 CA ARG A 25 4.655 0.714 -0.769 1.00 0.00 C ATOM 338 C ARG A 25 5.185 -0.688 -1.129 1.00 0.00 C ATOM 339 O ARG A 25 6.377 -0.889 -1.299 1.00 0.00 O ATOM 340 CB ARG A 25 4.461 0.765 0.767 1.00 0.00 C ATOM 341 CG ARG A 25 5.690 0.530 1.651 1.00 0.00 C ATOM 342 CD ARG A 25 5.788 -0.919 2.168 1.00 0.00 C ATOM 343 NE ARG A 25 4.594 -1.381 2.900 1.00 0.00 N ATOM 344 CZ ARG A 25 4.025 -0.803 3.963 1.00 0.00 C ATOM 345 NH1 ARG A 25 4.618 0.144 4.690 1.00 0.00 N ATOM 346 NH2 ARG A 25 2.920 -1.330 4.469 1.00 0.00 N ATOM 0 H ARG A 25 3.314 0.074 -2.203 1.00 0.00 H new ATOM 0 HA ARG A 25 5.319 1.551 -0.986 1.00 0.00 H new ATOM 0 HB2 ARG A 25 4.048 1.742 1.020 1.00 0.00 H new ATOM 0 HB3 ARG A 25 3.709 0.022 1.034 1.00 0.00 H new ATOM 0 HG2 ARG A 25 6.590 0.770 1.085 1.00 0.00 H new ATOM 0 HG3 ARG A 25 5.656 1.212 2.500 1.00 0.00 H new ATOM 0 HD2 ARG A 25 5.962 -1.584 1.322 1.00 0.00 H new ATOM 0 HD3 ARG A 25 6.656 -1.002 2.822 1.00 0.00 H new ATOM 0 HE ARG A 25 4.154 -2.235 2.558 1.00 0.00 H new ATOM 0 HH11 ARG A 25 5.555 0.463 4.445 1.00 0.00 H new ATOM 0 HH12 ARG A 25 4.135 0.549 5.492 1.00 0.00 H new ATOM 0 HH21 ARG A 25 2.514 -2.166 4.048 1.00 0.00 H new ATOM 0 HH22 ARG A 25 2.475 -0.900 5.280 1.00 0.00 H new ATOM 360 N LYS A 26 4.247 -1.632 -1.037 1.00 0.00 N ATOM 361 CA LYS A 26 4.281 -3.058 -1.508 1.00 0.00 C ATOM 362 C LYS A 26 4.103 -4.102 -0.392 1.00 0.00 C ATOM 363 O LYS A 26 3.594 -3.824 0.699 1.00 0.00 O ATOM 364 CB LYS A 26 5.281 -3.352 -2.626 1.00 0.00 C ATOM 365 CG LYS A 26 4.865 -2.692 -3.951 1.00 0.00 C ATOM 366 CD LYS A 26 3.626 -3.274 -4.615 1.00 0.00 C ATOM 367 CE LYS A 26 3.338 -2.496 -5.902 1.00 0.00 C ATOM 368 NZ LYS A 26 2.226 -3.145 -6.601 1.00 0.00 N ATOM 0 H LYS A 26 3.353 -1.420 -0.593 1.00 0.00 H new ATOM 0 HA LYS A 26 3.353 -3.199 -2.061 1.00 0.00 H new ATOM 0 HB2 LYS A 26 6.268 -2.993 -2.335 1.00 0.00 H new ATOM 0 HB3 LYS A 26 5.363 -4.430 -2.767 1.00 0.00 H new ATOM 0 HG2 LYS A 26 4.694 -1.631 -3.770 1.00 0.00 H new ATOM 0 HG3 LYS A 26 5.698 -2.765 -4.650 1.00 0.00 H new ATOM 0 HD2 LYS A 26 3.780 -4.329 -4.840 1.00 0.00 H new ATOM 0 HD3 LYS A 26 2.773 -3.213 -3.939 1.00 0.00 H new ATOM 0 HE2 LYS A 26 3.087 -1.461 -5.670 1.00 0.00 H new ATOM 0 HE3 LYS A 26 4.223 -2.475 -6.537 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 2.062 -2.669 -7.511 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 2.458 -4.144 -6.770 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 1.367 -3.083 -6.019 1.00 0.00 H new ATOM 382 N MET A 27 4.442 -5.323 -0.763 1.00 0.00 N ATOM 383 CA MET A 27 3.950 -6.589 -0.188 1.00 0.00 C ATOM 384 C MET A 27 4.908 -7.318 0.765 1.00 0.00 C ATOM 385 O MET A 27 6.122 -7.137 0.721 1.00 0.00 O ATOM 386 CB MET A 27 3.625 -7.516 -1.373 1.00 0.00 C ATOM 387 CG MET A 27 2.231 -7.375 -2.006 1.00 0.00 C ATOM 388 SD MET A 27 1.382 -5.762 -1.925 1.00 0.00 S ATOM 389 CE MET A 27 0.404 -6.054 -0.465 1.00 0.00 C ATOM 0 H MET A 27 5.108 -5.481 -1.519 1.00 0.00 H new ATOM 0 HA MET A 27 3.090 -6.337 0.433 1.00 0.00 H new ATOM 0 HB2 MET A 27 4.369 -7.346 -2.151 1.00 0.00 H new ATOM 0 HB3 MET A 27 3.743 -8.547 -1.039 1.00 0.00 H new ATOM 0 HG2 MET A 27 2.318 -7.649 -3.057 1.00 0.00 H new ATOM 0 HG3 MET A 27 1.580 -8.113 -1.537 1.00 0.00 H new ATOM 0 HE1 MET A 27 -0.590 -5.629 -0.602 1.00 0.00 H new ATOM 0 HE2 MET A 27 0.320 -7.127 -0.292 1.00 0.00 H new ATOM 0 HE3 MET A 27 0.883 -5.585 0.394 1.00 0.00 H new ATOM 399 N TRP A 28 4.290 -8.069 1.669 1.00 0.00 N ATOM 400 CA TRP A 28 4.990 -9.079 2.499 1.00 0.00 C ATOM 401 C TRP A 28 4.049 -10.182 3.009 1.00 0.00 C ATOM 402 O TRP A 28 2.823 -10.036 3.009 1.00 0.00 O ATOM 403 CB TRP A 28 5.745 -8.391 3.653 1.00 0.00 C ATOM 404 CG TRP A 28 4.892 -7.775 4.764 1.00 0.00 C ATOM 405 CD1 TRP A 28 4.744 -8.277 5.986 1.00 0.00 C ATOM 406 CD2 TRP A 28 4.255 -6.534 4.729 1.00 0.00 C ATOM 407 NE1 TRP A 28 4.038 -7.423 6.739 1.00 0.00 N ATOM 408 CE2 TRP A 28 3.698 -6.380 6.004 1.00 0.00 C ATOM 409 CE3 TRP A 28 4.058 -5.584 3.718 1.00 0.00 C ATOM 410 CZ2 TRP A 28 2.854 -5.264 6.273 1.00 0.00 C ATOM 411 CZ3 TRP A 28 3.224 -4.468 3.991 1.00 0.00 C ATOM 412 CH2 TRP A 28 2.626 -4.324 5.262 1.00 0.00 C ATOM 0 H TRP A 28 3.290 -8.005 1.858 1.00 0.00 H new ATOM 0 HA TRP A 28 5.718 -9.581 1.861 1.00 0.00 H new ATOM 0 HB2 TRP A 28 6.415 -9.123 4.105 1.00 0.00 H new ATOM 0 HB3 TRP A 28 6.370 -7.605 3.229 1.00 0.00 H new ATOM 0 HD1 TRP A 28 5.133 -9.227 6.320 1.00 0.00 H new ATOM 0 HE1 TRP A 28 3.801 -7.557 7.722 1.00 0.00 H new ATOM 0 HE3 TRP A 28 4.530 -5.698 2.753 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 2.396 -5.145 7.244 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 3.047 -3.728 3.225 1.00 0.00 H new ATOM 0 HH2 TRP A 28 1.984 -3.477 5.456 1.00 0.00 H new ATOM 423 N CYS A 29 4.666 -11.301 3.380 1.00 0.00 N ATOM 424 CA CYS A 29 3.946 -12.499 3.869 1.00 0.00 C ATOM 425 C CYS A 29 3.557 -12.406 5.347 1.00 0.00 C ATOM 426 O CYS A 29 4.370 -12.086 6.209 1.00 0.00 O ATOM 427 CB CYS A 29 4.820 -13.745 3.676 1.00 0.00 C ATOM 428 SG CYS A 29 5.023 -14.319 1.961 1.00 0.00 S ATOM 0 H CYS A 29 5.679 -11.414 3.354 1.00 0.00 H new ATOM 0 HA CYS A 29 3.028 -12.565 3.286 1.00 0.00 H new ATOM 0 HB2 CYS A 29 5.808 -13.539 4.089 1.00 0.00 H new ATOM 0 HB3 CYS A 29 4.393 -14.559 4.262 1.00 0.00 H new ATOM 433 N ASP A 30 2.318 -12.797 5.610 1.00 0.00 N ATOM 434 CA ASP A 30 1.805 -13.094 6.974 1.00 0.00 C ATOM 435 C ASP A 30 2.284 -14.486 7.480 1.00 0.00 C ATOM 436 O ASP A 30 1.531 -15.214 8.136 1.00 0.00 O ATOM 437 CB ASP A 30 0.269 -12.989 6.967 1.00 0.00 C ATOM 438 CG ASP A 30 -0.472 -14.036 6.115 1.00 0.00 C ATOM 439 OD1 ASP A 30 0.228 -14.786 5.388 1.00 0.00 O ATOM 440 OD2 ASP A 30 -1.711 -14.096 6.228 1.00 0.00 O ATOM 0 H ASP A 30 1.616 -12.924 4.881 1.00 0.00 H new ATOM 0 HA ASP A 30 2.209 -12.361 7.672 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -0.086 -13.068 7.995 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -0.007 -11.997 6.610 1.00 0.00 H new ATOM 445 N ALA A 31 3.548 -14.818 7.185 1.00 0.00 N ATOM 446 CA ALA A 31 4.186 -16.143 7.332 1.00 0.00 C ATOM 447 C ALA A 31 3.558 -17.287 6.510 1.00 0.00 C ATOM 448 O ALA A 31 4.246 -17.944 5.720 1.00 0.00 O ATOM 449 CB ALA A 31 4.354 -16.549 8.796 1.00 0.00 C ATOM 0 H ALA A 31 4.199 -14.126 6.813 1.00 0.00 H new ATOM 0 HA ALA A 31 5.172 -15.993 6.892 1.00 0.00 H new ATOM 0 HB1 ALA A 31 4.827 -17.529 8.850 1.00 0.00 H new ATOM 0 HB2 ALA A 31 4.978 -15.816 9.307 1.00 0.00 H new ATOM 0 HB3 ALA A 31 3.376 -16.591 9.276 1.00 0.00 H new ATOM 455 N PHE A 32 2.241 -17.399 6.609 1.00 0.00 N ATOM 456 CA PHE A 32 1.381 -18.389 5.928 1.00 0.00 C ATOM 457 C PHE A 32 1.532 -18.288 4.395 1.00 0.00 C ATOM 458 O PHE A 32 1.707 -19.302 3.713 1.00 0.00 O ATOM 459 CB PHE A 32 -0.099 -18.164 6.313 1.00 0.00 C ATOM 460 CG PHE A 32 -0.392 -18.017 7.813 1.00 0.00 C ATOM 461 CD1 PHE A 32 -0.050 -19.044 8.722 1.00 0.00 C ATOM 462 CD2 PHE A 32 -1.141 -16.898 8.243 1.00 0.00 C ATOM 463 CE1 PHE A 32 -0.460 -18.950 10.070 1.00 0.00 C ATOM 464 CE2 PHE A 32 -1.551 -16.794 9.590 1.00 0.00 C ATOM 465 CZ PHE A 32 -1.205 -17.832 10.491 1.00 0.00 C ATOM 0 H PHE A 32 1.700 -16.768 7.200 1.00 0.00 H new ATOM 0 HA PHE A 32 1.694 -19.383 6.247 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -0.453 -17.267 5.805 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -0.684 -19.000 5.929 1.00 0.00 H new ATOM 0 HD1 PHE A 32 0.522 -19.897 8.387 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -1.400 -16.121 7.539 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -0.204 -19.729 10.772 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -2.118 -15.939 9.928 1.00 0.00 H new ATOM 0 HZ PHE A 32 -1.519 -17.764 11.522 1.00 0.00 H new ATOM 475 N CYS A 33 1.149 -17.118 3.897 1.00 0.00 N ATOM 476 CA CYS A 33 1.355 -16.587 2.531 1.00 0.00 C ATOM 477 C CYS A 33 0.543 -17.214 1.376 1.00 0.00 C ATOM 478 O CYS A 33 0.155 -16.515 0.442 1.00 0.00 O ATOM 479 CB CYS A 33 2.834 -16.400 2.194 1.00 0.00 C ATOM 480 SG CYS A 33 3.085 -14.728 1.486 1.00 0.00 S ATOM 0 H CYS A 33 0.642 -16.451 4.478 1.00 0.00 H new ATOM 0 HA CYS A 33 0.891 -15.603 2.600 1.00 0.00 H new ATOM 0 HB2 CYS A 33 3.442 -16.523 3.090 1.00 0.00 H new ATOM 0 HB3 CYS A 33 3.156 -17.161 1.483 1.00 0.00 H new ATOM 485 N SER A 34 0.196 -18.484 1.530 1.00 0.00 N ATOM 486 CA SER A 34 -0.646 -19.224 0.566 1.00 0.00 C ATOM 487 C SER A 34 -2.136 -19.005 0.847 1.00 0.00 C ATOM 488 O SER A 34 -2.665 -19.370 1.896 1.00 0.00 O ATOM 489 CB SER A 34 -0.319 -20.711 0.571 1.00 0.00 C ATOM 490 OG SER A 34 -1.040 -21.325 -0.492 1.00 0.00 O ATOM 0 H SER A 34 0.487 -19.046 2.330 1.00 0.00 H new ATOM 0 HA SER A 34 -0.423 -18.830 -0.426 1.00 0.00 H new ATOM 0 HB2 SER A 34 0.752 -20.866 0.444 1.00 0.00 H new ATOM 0 HB3 SER A 34 -0.594 -21.158 1.526 1.00 0.00 H new ATOM 0 HG SER A 34 -0.843 -22.285 -0.509 1.00 0.00 H new ATOM 496 N SER A 35 -2.734 -18.264 -0.084 1.00 0.00 N ATOM 497 CA SER A 35 -4.126 -17.733 -0.082 1.00 0.00 C ATOM 498 C SER A 35 -4.377 -16.616 0.947 1.00 0.00 C ATOM 499 O SER A 35 -4.699 -15.489 0.570 1.00 0.00 O ATOM 500 CB SER A 35 -5.234 -18.804 -0.033 1.00 0.00 C ATOM 501 OG SER A 35 -5.377 -19.386 1.269 1.00 0.00 O ATOM 0 H SER A 35 -2.234 -17.990 -0.930 1.00 0.00 H new ATOM 0 HA SER A 35 -4.200 -17.274 -1.068 1.00 0.00 H new ATOM 0 HB2 SER A 35 -6.181 -18.356 -0.333 1.00 0.00 H new ATOM 0 HB3 SER A 35 -5.009 -19.588 -0.755 1.00 0.00 H new ATOM 0 HG SER A 35 -4.495 -19.475 1.686 1.00 0.00 H new ATOM 507 N ARG A 36 -3.983 -16.874 2.190 1.00 0.00 N ATOM 508 CA ARG A 36 -3.972 -15.879 3.285 1.00 0.00 C ATOM 509 C ARG A 36 -2.549 -15.316 3.361 1.00 0.00 C ATOM 510 O ARG A 36 -1.636 -15.933 3.914 1.00 0.00 O ATOM 511 CB ARG A 36 -4.493 -16.510 4.586 1.00 0.00 C ATOM 512 CG ARG A 36 -3.827 -17.817 5.051 1.00 0.00 C ATOM 513 CD ARG A 36 -4.632 -18.396 6.221 1.00 0.00 C ATOM 514 NE ARG A 36 -3.970 -19.570 6.829 1.00 0.00 N ATOM 515 CZ ARG A 36 -4.582 -20.509 7.566 1.00 0.00 C ATOM 516 NH1 ARG A 36 -5.887 -20.755 7.449 1.00 0.00 N ATOM 517 NH2 ARG A 36 -3.872 -21.412 8.229 1.00 0.00 N ATOM 0 H ARG A 36 -3.654 -17.794 2.482 1.00 0.00 H new ATOM 0 HA ARG A 36 -4.650 -15.045 3.103 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -4.387 -15.775 5.384 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -5.560 -16.699 4.466 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -3.788 -18.533 4.230 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -2.799 -17.627 5.358 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -4.771 -17.626 6.980 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -5.624 -18.681 5.871 1.00 0.00 H new ATOM 0 HE ARG A 36 -2.967 -19.674 6.676 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -6.449 -20.222 6.785 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -6.324 -21.476 8.024 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -2.853 -21.396 8.181 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -4.345 -22.123 8.787 1.00 0.00 H new ATOM 531 N GLY A 37 -2.351 -14.325 2.492 1.00 0.00 N ATOM 532 CA GLY A 37 -1.002 -13.861 2.111 1.00 0.00 C ATOM 533 C GLY A 37 -0.619 -12.399 2.361 1.00 0.00 C ATOM 534 O GLY A 37 -0.252 -12.010 3.471 1.00 0.00 O ATOM 0 H GLY A 37 -3.108 -13.820 2.032 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -0.279 -14.485 2.637 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -0.876 -14.056 1.046 1.00 0.00 H new ATOM 538 N LYS A 38 -0.514 -11.733 1.216 1.00 0.00 N ATOM 539 CA LYS A 38 0.102 -10.404 1.058 1.00 0.00 C ATOM 540 C LYS A 38 -0.548 -9.277 1.871 1.00 0.00 C ATOM 541 O LYS A 38 -1.651 -8.798 1.609 1.00 0.00 O ATOM 542 CB LYS A 38 0.313 -10.072 -0.419 1.00 0.00 C ATOM 543 CG LYS A 38 -0.909 -10.227 -1.339 1.00 0.00 C ATOM 544 CD LYS A 38 -0.459 -10.246 -2.792 1.00 0.00 C ATOM 545 CE LYS A 38 -1.623 -10.431 -3.770 1.00 0.00 C ATOM 546 NZ LYS A 38 -1.084 -10.617 -5.126 1.00 0.00 N ATOM 0 H LYS A 38 -0.866 -12.110 0.336 1.00 0.00 H new ATOM 0 HA LYS A 38 1.087 -10.474 1.519 1.00 0.00 H new ATOM 0 HB2 LYS A 38 0.665 -9.043 -0.490 1.00 0.00 H new ATOM 0 HB3 LYS A 38 1.111 -10.709 -0.801 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -1.441 -11.148 -1.101 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -1.606 -9.405 -1.175 1.00 0.00 H new ATOM 0 HD2 LYS A 38 0.057 -9.313 -3.020 1.00 0.00 H new ATOM 0 HD3 LYS A 38 0.261 -11.052 -2.934 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -2.223 -11.294 -3.482 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -2.280 -9.562 -3.742 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -1.613 -11.371 -5.610 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -1.177 -9.730 -5.661 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -0.080 -10.882 -5.067 1.00 0.00 H new ATOM 560 N VAL A 39 0.162 -8.994 2.958 1.00 0.00 N ATOM 561 CA VAL A 39 -0.199 -7.988 3.979 1.00 0.00 C ATOM 562 C VAL A 39 -0.001 -6.620 3.338 1.00 0.00 C ATOM 563 O VAL A 39 1.043 -6.317 2.752 1.00 0.00 O ATOM 564 CB VAL A 39 0.635 -8.110 5.269 1.00 0.00 C ATOM 565 CG1 VAL A 39 -0.108 -7.438 6.419 1.00 0.00 C ATOM 566 CG2 VAL A 39 0.925 -9.554 5.691 1.00 0.00 C ATOM 0 H VAL A 39 1.039 -9.470 3.170 1.00 0.00 H new ATOM 0 HA VAL A 39 -1.232 -8.144 4.289 1.00 0.00 H new ATOM 0 HB VAL A 39 1.589 -7.630 5.050 1.00 0.00 H new ATOM 0 HG11 VAL A 39 0.481 -7.524 7.332 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -0.264 -6.385 6.185 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -1.073 -7.925 6.563 1.00 0.00 H new ATOM 0 HG21 VAL A 39 1.516 -9.554 6.607 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -0.015 -10.078 5.866 1.00 0.00 H new ATOM 0 HG23 VAL A 39 1.480 -10.059 4.901 1.00 0.00 H new ATOM 576 N VAL A 40 -0.990 -5.765 3.552 1.00 0.00 N ATOM 577 CA VAL A 40 -1.323 -4.729 2.568 1.00 0.00 C ATOM 578 C VAL A 40 -0.498 -3.440 2.617 1.00 0.00 C ATOM 579 O VAL A 40 -0.464 -2.742 3.624 1.00 0.00 O ATOM 580 CB VAL A 40 -2.852 -4.492 2.501 1.00 0.00 C ATOM 581 CG1 VAL A 40 -3.293 -3.407 1.507 1.00 0.00 C ATOM 582 CG2 VAL A 40 -3.527 -5.811 2.125 1.00 0.00 C ATOM 0 H VAL A 40 -1.575 -5.762 4.388 1.00 0.00 H new ATOM 0 HA VAL A 40 -1.002 -5.147 1.614 1.00 0.00 H new ATOM 0 HB VAL A 40 -3.152 -4.133 3.486 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -4.379 -3.312 1.530 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -2.840 -2.455 1.783 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -2.974 -3.683 0.502 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -4.606 -5.666 2.072 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -3.158 -6.145 1.155 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -3.299 -6.564 2.879 1.00 0.00 H new ATOM 592 N GLU A 41 0.459 -3.492 1.695 1.00 0.00 N ATOM 593 CA GLU A 41 0.747 -2.462 0.684 1.00 0.00 C ATOM 594 C GLU A 41 1.100 -1.040 1.135 1.00 0.00 C ATOM 595 O GLU A 41 1.740 -0.339 0.369 1.00 0.00 O ATOM 596 CB GLU A 41 -0.367 -2.479 -0.387 1.00 0.00 C ATOM 597 CG GLU A 41 -0.232 -1.563 -1.612 1.00 0.00 C ATOM 598 CD GLU A 41 0.822 -1.974 -2.635 1.00 0.00 C ATOM 599 OE1 GLU A 41 0.671 -3.080 -3.201 1.00 0.00 O ATOM 600 OE2 GLU A 41 1.750 -1.162 -2.865 1.00 0.00 O ATOM 0 H GLU A 41 1.090 -4.290 1.623 1.00 0.00 H new ATOM 0 HA GLU A 41 1.712 -2.767 0.279 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -0.460 -3.503 -0.750 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -1.305 -2.230 0.109 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -1.198 -1.514 -2.114 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -0.001 -0.556 -1.265 1.00 0.00 H new ATOM 607 N LEU A 42 0.717 -0.623 2.347 1.00 0.00 N ATOM 608 CA LEU A 42 0.608 0.816 2.630 1.00 0.00 C ATOM 609 C LEU A 42 1.476 1.465 3.729 1.00 0.00 C ATOM 610 O LEU A 42 1.360 1.201 4.918 1.00 0.00 O ATOM 611 CB LEU A 42 -0.878 1.191 2.802 1.00 0.00 C ATOM 612 CG LEU A 42 -1.807 0.729 1.669 1.00 0.00 C ATOM 613 CD1 LEU A 42 -3.220 1.255 1.904 1.00 0.00 C ATOM 614 CD2 LEU A 42 -1.351 1.196 0.288 1.00 0.00 C ATOM 0 H LEU A 42 0.483 -1.238 3.127 1.00 0.00 H new ATOM 0 HA LEU A 42 1.067 1.257 1.745 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -1.237 0.766 3.740 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -0.954 2.275 2.893 1.00 0.00 H new ATOM 0 HG LEU A 42 -1.781 -0.361 1.683 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -3.871 0.922 1.096 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -3.597 0.874 2.853 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -3.203 2.345 1.931 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -2.050 0.836 -0.467 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -1.320 2.285 0.264 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -0.357 0.800 0.080 1.00 0.00 H new ATOM 626 N GLY A 43 2.153 2.501 3.236 1.00 0.00 N ATOM 627 CA GLY A 43 3.024 3.475 3.945 1.00 0.00 C ATOM 628 C GLY A 43 3.401 4.563 2.919 1.00 0.00 C ATOM 629 O GLY A 43 3.979 4.291 1.869 1.00 0.00 O ATOM 0 H GLY A 43 2.111 2.711 2.239 1.00 0.00 H new ATOM 0 HA2 GLY A 43 2.503 3.911 4.797 1.00 0.00 H new ATOM 0 HA3 GLY A 43 3.916 2.984 4.334 1.00 0.00 H new ATOM 633 N CYS A 44 2.953 5.778 3.189 1.00 0.00 N ATOM 634 CA CYS A 44 2.832 6.837 2.162 1.00 0.00 C ATOM 635 C CYS A 44 3.833 8.002 2.327 1.00 0.00 C ATOM 636 O CYS A 44 4.747 7.962 3.156 1.00 0.00 O ATOM 637 CB CYS A 44 1.406 7.400 2.243 1.00 0.00 C ATOM 638 SG CYS A 44 0.879 8.319 0.754 1.00 0.00 S ATOM 0 H CYS A 44 2.660 6.072 4.120 1.00 0.00 H new ATOM 0 HA CYS A 44 3.057 6.379 1.199 1.00 0.00 H new ATOM 0 HB2 CYS A 44 0.712 6.577 2.413 1.00 0.00 H new ATOM 0 HB3 CYS A 44 1.336 8.060 3.108 1.00 0.00 H new ATOM 643 N ALA A 45 3.768 8.895 1.349 1.00 0.00 N ATOM 644 CA ALA A 45 4.164 10.316 1.391 1.00 0.00 C ATOM 645 C ALA A 45 5.629 10.755 1.514 1.00 0.00 C ATOM 646 O ALA A 45 6.172 11.243 0.541 1.00 0.00 O ATOM 647 CB ALA A 45 3.242 11.073 2.362 1.00 0.00 C ATOM 0 H ALA A 45 3.411 8.635 0.430 1.00 0.00 H new ATOM 0 HA ALA A 45 4.031 10.598 0.347 1.00 0.00 H new ATOM 0 HB1 ALA A 45 3.532 12.123 2.395 1.00 0.00 H new ATOM 0 HB2 ALA A 45 2.210 10.992 2.021 1.00 0.00 H new ATOM 0 HB3 ALA A 45 3.330 10.641 3.359 1.00 0.00 H new ATOM 653 N ALA A 46 6.302 10.251 2.541 1.00 0.00 N ATOM 654 CA ALA A 46 7.633 10.753 2.949 1.00 0.00 C ATOM 655 C ALA A 46 8.793 9.773 2.708 1.00 0.00 C ATOM 656 O ALA A 46 8.969 8.790 3.439 1.00 0.00 O ATOM 657 CB ALA A 46 7.574 11.208 4.416 1.00 0.00 C ATOM 0 H ALA A 46 5.954 9.487 3.120 1.00 0.00 H new ATOM 0 HA ALA A 46 7.861 11.599 2.300 1.00 0.00 H new ATOM 0 HB1 ALA A 46 8.552 11.579 4.722 1.00 0.00 H new ATOM 0 HB2 ALA A 46 6.836 12.003 4.521 1.00 0.00 H new ATOM 0 HB3 ALA A 46 7.292 10.365 5.047 1.00 0.00 H new ATOM 663 N THR A 47 9.327 9.921 1.497 1.00 0.00 N ATOM 664 CA THR A 47 10.565 9.232 0.980 1.00 0.00 C ATOM 665 C THR A 47 10.632 7.709 1.143 1.00 0.00 C ATOM 666 O THR A 47 10.918 7.173 2.217 1.00 0.00 O ATOM 667 CB THR A 47 11.839 9.901 1.548 1.00 0.00 C ATOM 668 OG1 THR A 47 11.666 10.279 2.911 1.00 0.00 O ATOM 669 CG2 THR A 47 12.283 11.138 0.781 1.00 0.00 C ATOM 0 H THR A 47 8.913 10.543 0.803 1.00 0.00 H new ATOM 0 HA THR A 47 10.504 9.370 -0.100 1.00 0.00 H new ATOM 0 HB THR A 47 12.611 9.138 1.447 1.00 0.00 H new ATOM 0 HG1 THR A 47 11.768 9.491 3.485 1.00 0.00 H new ATOM 0 HG21 THR A 47 13.182 11.548 1.241 1.00 0.00 H new ATOM 0 HG22 THR A 47 12.496 10.868 -0.253 1.00 0.00 H new ATOM 0 HG23 THR A 47 11.490 11.885 0.805 1.00 0.00 H new ATOM 677 N CYS A 48 10.581 7.050 -0.009 1.00 0.00 N ATOM 678 CA CYS A 48 10.573 5.574 -0.139 1.00 0.00 C ATOM 679 C CYS A 48 11.612 4.764 0.684 1.00 0.00 C ATOM 680 O CYS A 48 11.261 3.666 1.108 1.00 0.00 O ATOM 681 CB CYS A 48 10.600 5.109 -1.607 1.00 0.00 C ATOM 682 SG CYS A 48 9.383 5.917 -2.705 1.00 0.00 S ATOM 0 H CYS A 48 10.543 7.528 -0.909 1.00 0.00 H new ATOM 0 HA CYS A 48 9.616 5.335 0.325 1.00 0.00 H new ATOM 0 HB2 CYS A 48 11.598 5.284 -2.008 1.00 0.00 H new ATOM 0 HB3 CYS A 48 10.430 4.033 -1.633 1.00 0.00 H new ATOM 687 N PRO A 49 12.859 5.239 0.907 1.00 0.00 N ATOM 688 CA PRO A 49 13.804 4.472 1.739 1.00 0.00 C ATOM 689 C PRO A 49 13.912 4.741 3.250 1.00 0.00 C ATOM 690 O PRO A 49 14.582 4.006 3.959 1.00 0.00 O ATOM 691 CB PRO A 49 15.163 4.665 1.041 1.00 0.00 C ATOM 692 CG PRO A 49 15.055 6.094 0.523 1.00 0.00 C ATOM 693 CD PRO A 49 13.596 6.213 0.075 1.00 0.00 C ATOM 0 HA PRO A 49 13.417 3.454 1.783 1.00 0.00 H new ATOM 0 HB2 PRO A 49 15.997 4.544 1.732 1.00 0.00 H new ATOM 0 HB3 PRO A 49 15.312 3.949 0.233 1.00 0.00 H new ATOM 0 HG2 PRO A 49 15.295 6.820 1.300 1.00 0.00 H new ATOM 0 HG3 PRO A 49 15.743 6.273 -0.304 1.00 0.00 H new ATOM 0 HD2 PRO A 49 13.219 7.225 0.224 1.00 0.00 H new ATOM 0 HD3 PRO A 49 13.489 5.986 -0.986 1.00 0.00 H new ATOM 701 N SER A 50 13.130 5.690 3.758 1.00 0.00 N ATOM 702 CA SER A 50 13.176 6.039 5.198 1.00 0.00 C ATOM 703 C SER A 50 12.172 5.226 6.022 1.00 0.00 C ATOM 704 O SER A 50 10.993 5.554 6.091 1.00 0.00 O ATOM 705 CB SER A 50 13.034 7.550 5.423 1.00 0.00 C ATOM 706 OG SER A 50 11.939 8.100 4.691 1.00 0.00 O ATOM 0 H SER A 50 12.461 6.232 3.212 1.00 0.00 H new ATOM 0 HA SER A 50 14.165 5.761 5.562 1.00 0.00 H new ATOM 0 HB2 SER A 50 12.894 7.746 6.486 1.00 0.00 H new ATOM 0 HB3 SER A 50 13.956 8.049 5.125 1.00 0.00 H new ATOM 0 HG SER A 50 11.140 7.551 4.835 1.00 0.00 H new ATOM 712 N LYS A 51 12.652 4.041 6.421 1.00 0.00 N ATOM 713 CA LYS A 51 11.920 2.961 7.150 1.00 0.00 C ATOM 714 C LYS A 51 10.872 2.175 6.346 1.00 0.00 C ATOM 715 O LYS A 51 10.646 0.984 6.563 1.00 0.00 O ATOM 716 CB LYS A 51 11.330 3.447 8.482 1.00 0.00 C ATOM 717 CG LYS A 51 12.430 3.857 9.476 1.00 0.00 C ATOM 718 CD LYS A 51 11.924 4.685 10.660 1.00 0.00 C ATOM 719 CE LYS A 51 11.553 6.129 10.301 1.00 0.00 C ATOM 720 NZ LYS A 51 10.209 6.202 9.689 1.00 0.00 N ATOM 0 H LYS A 51 13.621 3.780 6.239 1.00 0.00 H new ATOM 0 HA LYS A 51 12.711 2.237 7.347 1.00 0.00 H new ATOM 0 HB2 LYS A 51 10.670 4.295 8.300 1.00 0.00 H new ATOM 0 HB3 LYS A 51 10.720 2.657 8.920 1.00 0.00 H new ATOM 0 HG2 LYS A 51 12.915 2.958 9.856 1.00 0.00 H new ATOM 0 HG3 LYS A 51 13.190 4.429 8.945 1.00 0.00 H new ATOM 0 HD2 LYS A 51 11.051 4.192 11.087 1.00 0.00 H new ATOM 0 HD3 LYS A 51 12.692 4.700 11.434 1.00 0.00 H new ATOM 0 HE2 LYS A 51 11.581 6.748 11.198 1.00 0.00 H new ATOM 0 HE3 LYS A 51 12.292 6.536 9.611 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 9.702 7.030 10.061 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 10.302 6.288 8.657 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 9.676 5.339 9.918 1.00 0.00 H new ATOM 734 N LYS A 52 10.401 2.838 5.306 1.00 0.00 N ATOM 735 CA LYS A 52 9.520 2.297 4.250 1.00 0.00 C ATOM 736 C LYS A 52 10.001 1.086 3.411 1.00 0.00 C ATOM 737 O LYS A 52 9.126 0.495 2.762 1.00 0.00 O ATOM 738 CB LYS A 52 8.994 3.403 3.327 1.00 0.00 C ATOM 739 CG LYS A 52 7.750 4.098 3.884 1.00 0.00 C ATOM 740 CD LYS A 52 8.093 5.094 4.990 1.00 0.00 C ATOM 741 CE LYS A 52 6.864 5.781 5.565 1.00 0.00 C ATOM 742 NZ LYS A 52 7.314 6.589 6.702 1.00 0.00 N ATOM 0 H LYS A 52 10.626 3.821 5.154 1.00 0.00 H new ATOM 0 HA LYS A 52 8.724 1.865 4.856 1.00 0.00 H new ATOM 0 HB2 LYS A 52 9.779 4.143 3.171 1.00 0.00 H new ATOM 0 HB3 LYS A 52 8.760 2.976 2.352 1.00 0.00 H new ATOM 0 HG2 LYS A 52 7.234 4.617 3.077 1.00 0.00 H new ATOM 0 HG3 LYS A 52 7.061 3.349 4.273 1.00 0.00 H new ATOM 0 HD2 LYS A 52 8.621 4.575 5.790 1.00 0.00 H new ATOM 0 HD3 LYS A 52 8.774 5.848 4.596 1.00 0.00 H new ATOM 0 HE2 LYS A 52 6.386 6.408 4.812 1.00 0.00 H new ATOM 0 HE3 LYS A 52 6.125 5.046 5.884 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 6.499 7.077 7.125 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 7.755 5.972 7.413 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 8.007 7.292 6.376 1.00 0.00 H new ATOM 756 N PRO A 53 11.285 0.664 3.391 1.00 0.00 N ATOM 757 CA PRO A 53 11.668 -0.669 2.879 1.00 0.00 C ATOM 758 C PRO A 53 11.253 -1.809 3.821 1.00 0.00 C ATOM 759 O PRO A 53 11.992 -2.763 4.087 1.00 0.00 O ATOM 760 CB PRO A 53 13.176 -0.602 2.617 1.00 0.00 C ATOM 761 CG PRO A 53 13.646 0.491 3.565 1.00 0.00 C ATOM 762 CD PRO A 53 12.491 1.491 3.531 1.00 0.00 C ATOM 0 HA PRO A 53 11.136 -0.906 1.958 1.00 0.00 H new ATOM 0 HB2 PRO A 53 13.664 -1.554 2.827 1.00 0.00 H new ATOM 0 HB3 PRO A 53 13.393 -0.355 1.578 1.00 0.00 H new ATOM 0 HG2 PRO A 53 13.819 0.107 4.570 1.00 0.00 H new ATOM 0 HG3 PRO A 53 14.581 0.941 3.231 1.00 0.00 H new ATOM 0 HD2 PRO A 53 12.458 2.089 4.442 1.00 0.00 H new ATOM 0 HD3 PRO A 53 12.593 2.186 2.698 1.00 0.00 H new ATOM 770 N TYR A 54 9.971 -1.791 4.179 1.00 0.00 N ATOM 771 CA TYR A 54 9.334 -2.732 5.103 1.00 0.00 C ATOM 772 C TYR A 54 8.874 -3.979 4.337 1.00 0.00 C ATOM 773 O TYR A 54 7.743 -4.123 3.894 1.00 0.00 O ATOM 774 CB TYR A 54 8.181 -2.011 5.827 1.00 0.00 C ATOM 775 CG TYR A 54 7.542 -2.875 6.926 1.00 0.00 C ATOM 776 CD1 TYR A 54 8.284 -3.209 8.077 1.00 0.00 C ATOM 777 CD2 TYR A 54 6.201 -3.270 6.761 1.00 0.00 C ATOM 778 CE1 TYR A 54 7.665 -3.940 9.110 1.00 0.00 C ATOM 779 CE2 TYR A 54 5.582 -4.001 7.794 1.00 0.00 C ATOM 780 CZ TYR A 54 6.311 -4.325 8.948 1.00 0.00 C ATOM 781 OH TYR A 54 5.662 -4.925 9.981 1.00 0.00 O ATOM 0 H TYR A 54 9.320 -1.093 3.820 1.00 0.00 H new ATOM 0 HA TYR A 54 10.038 -3.074 5.861 1.00 0.00 H new ATOM 0 HB2 TYR A 54 8.555 -1.087 6.268 1.00 0.00 H new ATOM 0 HB3 TYR A 54 7.418 -1.732 5.100 1.00 0.00 H new ATOM 0 HD1 TYR A 54 9.317 -2.907 8.166 1.00 0.00 H new ATOM 0 HD2 TYR A 54 5.658 -3.018 5.862 1.00 0.00 H new ATOM 0 HE1 TYR A 54 8.210 -4.201 10.005 1.00 0.00 H new ATOM 0 HE2 TYR A 54 4.552 -4.310 7.698 1.00 0.00 H new ATOM 0 HH TYR A 54 4.741 -5.127 9.715 1.00 0.00 H new ATOM 791 N GLU A 55 9.895 -4.804 4.122 1.00 0.00 N ATOM 792 CA GLU A 55 9.869 -6.082 3.361 1.00 0.00 C ATOM 793 C GLU A 55 9.885 -5.753 1.855 1.00 0.00 C ATOM 794 O GLU A 55 10.656 -4.887 1.450 1.00 0.00 O ATOM 795 CB GLU A 55 8.819 -7.048 3.903 1.00 0.00 C ATOM 796 CG GLU A 55 9.134 -7.607 5.300 1.00 0.00 C ATOM 797 CD GLU A 55 8.789 -6.653 6.446 1.00 0.00 C ATOM 798 OE1 GLU A 55 7.629 -6.710 6.912 1.00 0.00 O ATOM 799 OE2 GLU A 55 9.702 -5.923 6.881 1.00 0.00 O ATOM 0 H GLU A 55 10.824 -4.600 4.490 1.00 0.00 H new ATOM 0 HA GLU A 55 10.768 -6.680 3.511 1.00 0.00 H new ATOM 0 HB2 GLU A 55 7.856 -6.538 3.937 1.00 0.00 H new ATOM 0 HB3 GLU A 55 8.714 -7.880 3.207 1.00 0.00 H new ATOM 0 HG2 GLU A 55 8.586 -8.539 5.439 1.00 0.00 H new ATOM 0 HG3 GLU A 55 10.195 -7.851 5.351 1.00 0.00 H new ATOM 806 N GLU A 56 9.053 -6.391 1.034 1.00 0.00 N ATOM 807 CA GLU A 56 9.208 -6.299 -0.431 1.00 0.00 C ATOM 808 C GLU A 56 8.540 -5.036 -0.988 1.00 0.00 C ATOM 809 O GLU A 56 7.336 -5.004 -1.204 1.00 0.00 O ATOM 810 CB GLU A 56 8.720 -7.576 -1.127 1.00 0.00 C ATOM 811 CG GLU A 56 9.457 -7.830 -2.454 1.00 0.00 C ATOM 812 CD GLU A 56 8.934 -7.028 -3.648 1.00 0.00 C ATOM 813 OE1 GLU A 56 9.283 -5.821 -3.748 1.00 0.00 O ATOM 814 OE2 GLU A 56 8.331 -7.674 -4.523 1.00 0.00 O ATOM 0 H GLU A 56 8.273 -6.971 1.344 1.00 0.00 H new ATOM 0 HA GLU A 56 10.272 -6.211 -0.649 1.00 0.00 H new ATOM 0 HB2 GLU A 56 8.865 -8.428 -0.463 1.00 0.00 H new ATOM 0 HB3 GLU A 56 7.649 -7.499 -1.316 1.00 0.00 H new ATOM 0 HG2 GLU A 56 10.513 -7.600 -2.315 1.00 0.00 H new ATOM 0 HG3 GLU A 56 9.391 -8.892 -2.692 1.00 0.00 H new ATOM 821 N VAL A 57 9.397 -4.058 -1.253 1.00 0.00 N ATOM 822 CA VAL A 57 8.960 -2.679 -1.574 1.00 0.00 C ATOM 823 C VAL A 57 9.165 -2.222 -3.029 1.00 0.00 C ATOM 824 O VAL A 57 10.037 -2.681 -3.771 1.00 0.00 O ATOM 825 CB VAL A 57 9.534 -1.728 -0.494 1.00 0.00 C ATOM 826 CG1 VAL A 57 9.371 -0.221 -0.761 1.00 0.00 C ATOM 827 CG2 VAL A 57 8.880 -2.059 0.847 1.00 0.00 C ATOM 0 H VAL A 57 10.409 -4.183 -1.255 1.00 0.00 H new ATOM 0 HA VAL A 57 7.871 -2.652 -1.531 1.00 0.00 H new ATOM 0 HB VAL A 57 10.610 -1.905 -0.502 1.00 0.00 H new ATOM 0 HG11 VAL A 57 9.810 0.344 0.061 1.00 0.00 H new ATOM 0 HG12 VAL A 57 9.876 0.040 -1.691 1.00 0.00 H new ATOM 0 HG13 VAL A 57 8.311 0.022 -0.843 1.00 0.00 H new ATOM 0 HG21 VAL A 57 9.275 -1.397 1.618 1.00 0.00 H new ATOM 0 HG22 VAL A 57 7.801 -1.923 0.769 1.00 0.00 H new ATOM 0 HG23 VAL A 57 9.097 -3.094 1.112 1.00 0.00 H new ATOM 837 N THR A 58 8.145 -1.483 -3.449 1.00 0.00 N ATOM 838 CA THR A 58 8.073 -0.645 -4.663 1.00 0.00 C ATOM 839 C THR A 58 7.041 0.452 -4.384 1.00 0.00 C ATOM 840 O THR A 58 5.936 0.230 -3.870 1.00 0.00 O ATOM 841 CB THR A 58 7.646 -1.374 -5.945 1.00 0.00 C ATOM 842 OG1 THR A 58 7.749 -2.799 -5.804 1.00 0.00 O ATOM 843 CG2 THR A 58 8.477 -0.899 -7.133 1.00 0.00 C ATOM 0 H THR A 58 7.276 -1.444 -2.917 1.00 0.00 H new ATOM 0 HA THR A 58 9.083 -0.280 -4.852 1.00 0.00 H new ATOM 0 HB THR A 58 6.599 -1.132 -6.126 1.00 0.00 H new ATOM 0 HG1 THR A 58 7.624 -3.224 -6.678 1.00 0.00 H new ATOM 0 HG21 THR A 58 8.160 -1.427 -8.033 1.00 0.00 H new ATOM 0 HG22 THR A 58 8.334 0.173 -7.272 1.00 0.00 H new ATOM 0 HG23 THR A 58 9.531 -1.103 -6.945 1.00 0.00 H new ATOM 851 N CYS A 59 7.467 1.665 -4.716 1.00 0.00 N ATOM 852 CA CYS A 59 6.660 2.880 -4.524 1.00 0.00 C ATOM 853 C CYS A 59 6.428 3.522 -5.898 1.00 0.00 C ATOM 854 O CYS A 59 7.323 3.544 -6.736 1.00 0.00 O ATOM 855 CB CYS A 59 7.385 3.815 -3.541 1.00 0.00 C ATOM 856 SG CYS A 59 8.985 4.492 -4.110 1.00 0.00 S ATOM 0 H CYS A 59 8.383 1.842 -5.128 1.00 0.00 H new ATOM 0 HA CYS A 59 5.686 2.655 -4.090 1.00 0.00 H new ATOM 0 HB2 CYS A 59 6.723 4.649 -3.308 1.00 0.00 H new ATOM 0 HB3 CYS A 59 7.553 3.272 -2.611 1.00 0.00 H new ATOM 861 N CYS A 60 5.212 4.011 -6.100 1.00 0.00 N ATOM 862 CA CYS A 60 4.803 4.531 -7.422 1.00 0.00 C ATOM 863 C CYS A 60 4.529 6.026 -7.373 1.00 0.00 C ATOM 864 O CYS A 60 3.923 6.552 -6.449 1.00 0.00 O ATOM 865 CB CYS A 60 3.598 3.797 -8.016 1.00 0.00 C ATOM 866 SG CYS A 60 3.472 4.154 -9.807 1.00 0.00 S ATOM 0 H CYS A 60 4.490 4.064 -5.382 1.00 0.00 H new ATOM 0 HA CYS A 60 5.650 4.345 -8.082 1.00 0.00 H new ATOM 0 HB2 CYS A 60 3.700 2.724 -7.857 1.00 0.00 H new ATOM 0 HB3 CYS A 60 2.685 4.109 -7.509 1.00 0.00 H new ATOM 871 N SER A 61 5.035 6.686 -8.410 1.00 0.00 N ATOM 872 CA SER A 61 4.909 8.140 -8.631 1.00 0.00 C ATOM 873 C SER A 61 3.478 8.608 -8.912 1.00 0.00 C ATOM 874 O SER A 61 3.033 9.629 -8.391 1.00 0.00 O ATOM 875 CB SER A 61 5.830 8.528 -9.789 1.00 0.00 C ATOM 876 OG SER A 61 5.633 7.598 -10.864 1.00 0.00 O ATOM 0 H SER A 61 5.562 6.218 -9.148 1.00 0.00 H new ATOM 0 HA SER A 61 5.198 8.638 -7.706 1.00 0.00 H new ATOM 0 HB2 SER A 61 5.612 9.543 -10.122 1.00 0.00 H new ATOM 0 HB3 SER A 61 6.871 8.516 -9.465 1.00 0.00 H new ATOM 0 HG SER A 61 6.217 7.837 -11.614 1.00 0.00 H new ATOM 882 N THR A 62 2.759 7.788 -9.668 1.00 0.00 N ATOM 883 CA THR A 62 1.422 8.106 -10.204 1.00 0.00 C ATOM 884 C THR A 62 0.262 7.512 -9.403 1.00 0.00 C ATOM 885 O THR A 62 0.373 6.506 -8.696 1.00 0.00 O ATOM 886 CB THR A 62 1.325 7.663 -11.663 1.00 0.00 C ATOM 887 OG1 THR A 62 1.861 6.337 -11.790 1.00 0.00 O ATOM 888 CG2 THR A 62 2.029 8.651 -12.599 1.00 0.00 C ATOM 0 H THR A 62 3.088 6.861 -9.937 1.00 0.00 H new ATOM 0 HA THR A 62 1.320 9.188 -10.122 1.00 0.00 H new ATOM 0 HB THR A 62 0.277 7.650 -11.962 1.00 0.00 H new ATOM 0 HG1 THR A 62 1.800 6.047 -12.724 1.00 0.00 H new ATOM 0 HG21 THR A 62 1.940 8.304 -13.628 1.00 0.00 H new ATOM 0 HG22 THR A 62 1.566 9.633 -12.506 1.00 0.00 H new ATOM 0 HG23 THR A 62 3.083 8.720 -12.329 1.00 0.00 H new ATOM 896 N ASP A 63 -0.878 8.177 -9.578 1.00 0.00 N ATOM 897 CA ASP A 63 -2.178 7.785 -8.990 1.00 0.00 C ATOM 898 C ASP A 63 -2.579 6.322 -9.247 1.00 0.00 C ATOM 899 O ASP A 63 -2.328 5.792 -10.333 1.00 0.00 O ATOM 900 CB ASP A 63 -3.280 8.736 -9.477 1.00 0.00 C ATOM 901 CG ASP A 63 -3.470 8.741 -10.989 1.00 0.00 C ATOM 902 OD1 ASP A 63 -2.772 9.562 -11.627 1.00 0.00 O ATOM 903 OD2 ASP A 63 -4.293 7.922 -11.471 1.00 0.00 O ATOM 0 H ASP A 63 -0.936 9.024 -10.144 1.00 0.00 H new ATOM 0 HA ASP A 63 -2.055 7.866 -7.910 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -4.222 8.457 -9.004 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -3.044 9.748 -9.147 1.00 0.00 H new ATOM 908 N LYS A 64 -3.174 5.741 -8.216 1.00 0.00 N ATOM 909 CA LYS A 64 -3.727 4.351 -8.121 1.00 0.00 C ATOM 910 C LYS A 64 -2.786 3.193 -8.539 1.00 0.00 C ATOM 911 O LYS A 64 -3.153 2.025 -8.376 1.00 0.00 O ATOM 912 CB LYS A 64 -5.069 4.233 -8.867 1.00 0.00 C ATOM 913 CG LYS A 64 -6.032 5.392 -8.579 1.00 0.00 C ATOM 914 CD LYS A 64 -7.316 5.251 -9.407 1.00 0.00 C ATOM 915 CE LYS A 64 -8.073 6.580 -9.529 1.00 0.00 C ATOM 916 NZ LYS A 64 -8.608 7.048 -8.248 1.00 0.00 N ATOM 0 H LYS A 64 -3.305 6.250 -7.342 1.00 0.00 H new ATOM 0 HA LYS A 64 -3.864 4.215 -7.048 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -4.877 4.188 -9.939 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -5.549 3.295 -8.589 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -6.279 5.411 -7.517 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -5.547 6.340 -8.810 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -7.066 4.884 -10.402 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -7.964 4.506 -8.946 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -7.404 7.338 -9.937 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -8.892 6.463 -10.239 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -9.035 7.988 -8.373 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -9.331 6.381 -7.909 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -7.838 7.107 -7.551 1.00 0.00 H new ATOM 930 N CYS A 65 -1.521 3.513 -8.802 1.00 0.00 N ATOM 931 CA CYS A 65 -0.489 2.609 -9.341 1.00 0.00 C ATOM 932 C CYS A 65 0.123 1.594 -8.351 1.00 0.00 C ATOM 933 O CYS A 65 0.978 0.787 -8.717 1.00 0.00 O ATOM 934 CB CYS A 65 0.586 3.541 -9.911 1.00 0.00 C ATOM 935 SG CYS A 65 2.133 2.772 -10.480 1.00 0.00 S ATOM 0 H CYS A 65 -1.163 4.454 -8.640 1.00 0.00 H new ATOM 0 HA CYS A 65 -0.951 1.953 -10.079 1.00 0.00 H new ATOM 0 HB2 CYS A 65 0.151 4.086 -10.749 1.00 0.00 H new ATOM 0 HB3 CYS A 65 0.835 4.277 -9.147 1.00 0.00 H new ATOM 940 N ASN A 66 -0.442 1.524 -7.154 1.00 0.00 N ATOM 941 CA ASN A 66 0.119 0.785 -6.008 1.00 0.00 C ATOM 942 C ASN A 66 -0.800 -0.348 -5.494 1.00 0.00 C ATOM 943 O ASN A 66 -1.155 -0.380 -4.312 1.00 0.00 O ATOM 944 CB ASN A 66 0.488 1.845 -4.945 1.00 0.00 C ATOM 945 CG ASN A 66 -0.587 2.898 -4.557 1.00 0.00 C ATOM 946 OD1 ASN A 66 -1.470 3.294 -5.305 1.00 0.00 O ATOM 947 ND2 ASN A 66 -0.512 3.386 -3.335 1.00 0.00 N ATOM 0 H ASN A 66 -1.325 1.987 -6.937 1.00 0.00 H new ATOM 0 HA ASN A 66 1.012 0.234 -6.303 1.00 0.00 H new ATOM 0 HB2 ASN A 66 0.782 1.318 -4.037 1.00 0.00 H new ATOM 0 HB3 ASN A 66 1.367 2.382 -5.301 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -1.186 4.085 -3.023 1.00 0.00 H new ATOM 0 HD22 ASN A 66 0.220 3.064 -2.701 1.00 0.00 H new ATOM 954 N PRO A 67 -1.208 -1.305 -6.348 1.00 0.00 N ATOM 955 CA PRO A 67 -2.310 -2.241 -6.075 1.00 0.00 C ATOM 956 C PRO A 67 -1.865 -3.375 -5.138 1.00 0.00 C ATOM 957 O PRO A 67 -0.924 -4.101 -5.436 1.00 0.00 O ATOM 958 CB PRO A 67 -2.704 -2.819 -7.431 1.00 0.00 C ATOM 959 CG PRO A 67 -1.825 -2.098 -8.461 1.00 0.00 C ATOM 960 CD PRO A 67 -0.606 -1.646 -7.653 1.00 0.00 C ATOM 0 HA PRO A 67 -3.138 -1.731 -5.582 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -2.538 -3.896 -7.461 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -3.762 -2.653 -7.635 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -1.540 -2.762 -9.277 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -2.345 -1.250 -8.907 1.00 0.00 H new ATOM 0 HD2 PRO A 67 0.140 -2.436 -7.564 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -0.110 -0.789 -8.109 1.00 0.00 H new ATOM 968 N HIS A 68 -2.597 -3.508 -4.026 1.00 0.00 N ATOM 969 CA HIS A 68 -2.435 -4.655 -3.111 1.00 0.00 C ATOM 970 C HIS A 68 -2.379 -6.030 -3.844 1.00 0.00 C ATOM 971 O HIS A 68 -1.368 -6.723 -3.721 1.00 0.00 O ATOM 972 CB HIS A 68 -3.429 -4.514 -1.933 1.00 0.00 C ATOM 973 CG HIS A 68 -3.769 -5.830 -1.219 1.00 0.00 C ATOM 974 ND1 HIS A 68 -3.023 -6.931 -1.257 1.00 0.00 N ATOM 975 CD2 HIS A 68 -4.964 -6.191 -0.755 1.00 0.00 C ATOM 976 CE1 HIS A 68 -3.766 -7.974 -0.945 1.00 0.00 C ATOM 977 NE2 HIS A 68 -4.971 -7.523 -0.598 1.00 0.00 N ATOM 0 H HIS A 68 -3.309 -2.838 -3.734 1.00 0.00 H new ATOM 0 HA HIS A 68 -1.445 -4.636 -2.656 1.00 0.00 H new ATOM 0 HB2 HIS A 68 -3.012 -3.819 -1.205 1.00 0.00 H new ATOM 0 HB3 HIS A 68 -4.352 -4.070 -2.305 1.00 0.00 H new ATOM 0 HD1 HIS A 68 -2.031 -6.963 -1.491 1.00 0.00 H new ATOM 0 HD2 HIS A 68 -5.787 -5.525 -0.542 1.00 0.00 H new ATOM 0 HE1 HIS A 68 -3.454 -9.008 -0.967 1.00 0.00 H new ATOM 985 N PRO A 69 -3.388 -6.395 -4.674 1.00 0.00 N ATOM 986 CA PRO A 69 -3.196 -7.406 -5.734 1.00 0.00 C ATOM 987 C PRO A 69 -2.256 -6.886 -6.827 1.00 0.00 C ATOM 988 O PRO A 69 -2.659 -6.209 -7.774 1.00 0.00 O ATOM 989 CB PRO A 69 -4.602 -7.741 -6.244 1.00 0.00 C ATOM 990 CG PRO A 69 -5.451 -6.567 -5.788 1.00 0.00 C ATOM 991 CD PRO A 69 -4.824 -6.203 -4.441 1.00 0.00 C ATOM 0 HA PRO A 69 -2.709 -8.309 -5.366 1.00 0.00 H new ATOM 0 HB2 PRO A 69 -4.618 -7.847 -7.329 1.00 0.00 H new ATOM 0 HB3 PRO A 69 -4.964 -8.681 -5.827 1.00 0.00 H new ATOM 0 HG2 PRO A 69 -5.407 -5.737 -6.493 1.00 0.00 H new ATOM 0 HG3 PRO A 69 -6.501 -6.842 -5.685 1.00 0.00 H new ATOM 0 HD2 PRO A 69 -5.051 -5.176 -4.156 1.00 0.00 H new ATOM 0 HD3 PRO A 69 -5.191 -6.845 -3.640 1.00 0.00 H new ATOM 999 N LYS A 70 -0.984 -7.062 -6.494 1.00 0.00 N ATOM 1000 CA LYS A 70 0.239 -6.716 -7.252 1.00 0.00 C ATOM 1001 C LYS A 70 0.060 -5.976 -8.585 1.00 0.00 C ATOM 1002 O LYS A 70 0.125 -4.752 -8.579 1.00 0.00 O ATOM 1003 CB LYS A 70 1.186 -7.926 -7.341 1.00 0.00 C ATOM 1004 CG LYS A 70 1.577 -8.445 -5.950 1.00 0.00 C ATOM 1005 CD LYS A 70 2.731 -9.448 -6.069 1.00 0.00 C ATOM 1006 CE LYS A 70 3.180 -9.938 -4.691 1.00 0.00 C ATOM 1007 NZ LYS A 70 4.235 -10.954 -4.829 1.00 0.00 N ATOM 0 H LYS A 70 -0.746 -7.492 -5.600 1.00 0.00 H new ATOM 0 HA LYS A 70 0.713 -5.938 -6.653 1.00 0.00 H new ATOM 0 HB2 LYS A 70 0.704 -8.725 -7.905 1.00 0.00 H new ATOM 0 HB3 LYS A 70 2.085 -7.645 -7.890 1.00 0.00 H new ATOM 0 HG2 LYS A 70 1.873 -7.612 -5.312 1.00 0.00 H new ATOM 0 HG3 LYS A 70 0.718 -8.921 -5.476 1.00 0.00 H new ATOM 0 HD2 LYS A 70 2.417 -10.297 -6.676 1.00 0.00 H new ATOM 0 HD3 LYS A 70 3.571 -8.981 -6.584 1.00 0.00 H new ATOM 0 HE2 LYS A 70 3.549 -9.099 -4.102 1.00 0.00 H new ATOM 0 HE3 LYS A 70 2.330 -10.357 -4.152 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 4.530 -11.278 -3.886 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 3.870 -11.761 -5.374 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 5.051 -10.542 -5.325 1.00 0.00 H new ATOM 1021 N GLN A 71 -0.278 -6.705 -9.664 1.00 0.00 N ATOM 1022 CA GLN A 71 -0.374 -6.188 -11.059 1.00 0.00 C ATOM 1023 C GLN A 71 0.947 -5.643 -11.640 1.00 0.00 C ATOM 1024 O GLN A 71 1.392 -6.040 -12.718 1.00 0.00 O ATOM 1025 CB GLN A 71 -1.524 -5.189 -11.234 1.00 0.00 C ATOM 1026 CG GLN A 71 -2.890 -5.872 -11.168 1.00 0.00 C ATOM 1027 CD GLN A 71 -4.040 -4.879 -10.980 1.00 0.00 C ATOM 1028 OE1 GLN A 71 -4.618 -4.340 -11.904 1.00 0.00 O ATOM 1029 NE2 GLN A 71 -4.397 -4.638 -9.730 1.00 0.00 N ATOM 0 H GLN A 71 -0.500 -7.698 -9.598 1.00 0.00 H new ATOM 0 HA GLN A 71 -0.603 -7.071 -11.656 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -1.462 -4.426 -10.458 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -1.419 -4.679 -12.192 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -3.052 -6.440 -12.084 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -2.895 -6.587 -10.345 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -3.906 -5.095 -8.962 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -5.164 -3.995 -9.534 1.00 0.00 H new ATOM 1038 N ARG A 72 1.524 -4.729 -10.872 1.00 0.00 N ATOM 1039 CA ARG A 72 2.904 -4.243 -10.968 1.00 0.00 C ATOM 1040 C ARG A 72 3.692 -5.127 -9.977 1.00 0.00 C ATOM 1041 O ARG A 72 3.346 -5.159 -8.790 1.00 0.00 O ATOM 1042 CB ARG A 72 2.877 -2.779 -10.521 1.00 0.00 C ATOM 1043 CG ARG A 72 4.166 -2.034 -10.849 1.00 0.00 C ATOM 1044 CD ARG A 72 4.067 -0.544 -10.493 1.00 0.00 C ATOM 1045 NE ARG A 72 4.037 -0.333 -9.032 1.00 0.00 N ATOM 1046 CZ ARG A 72 4.850 0.467 -8.343 1.00 0.00 C ATOM 1047 NH1 ARG A 72 5.863 1.117 -8.907 1.00 0.00 N ATOM 1048 NH2 ARG A 72 4.589 0.722 -7.064 1.00 0.00 N ATOM 0 H ARG A 72 1.013 -4.275 -10.115 1.00 0.00 H new ATOM 0 HA ARG A 72 3.350 -4.295 -11.961 1.00 0.00 H new ATOM 0 HB2 ARG A 72 2.039 -2.273 -11.001 1.00 0.00 H new ATOM 0 HB3 ARG A 72 2.702 -2.736 -9.446 1.00 0.00 H new ATOM 0 HG2 ARG A 72 4.995 -2.484 -10.303 1.00 0.00 H new ATOM 0 HG3 ARG A 72 4.388 -2.140 -11.911 1.00 0.00 H new ATOM 0 HD2 ARG A 72 4.916 -0.010 -10.920 1.00 0.00 H new ATOM 0 HD3 ARG A 72 3.167 -0.122 -10.940 1.00 0.00 H new ATOM 0 HE ARG A 72 3.331 -0.845 -8.503 1.00 0.00 H new ATOM 0 HH11 ARG A 72 6.043 1.013 -9.906 1.00 0.00 H new ATOM 0 HH12 ARG A 72 6.461 1.720 -8.341 1.00 0.00 H new ATOM 0 HH21 ARG A 72 3.772 0.306 -6.618 1.00 0.00 H new ATOM 0 HH22 ARG A 72 5.206 1.333 -6.530 1.00 0.00 H new ATOM 1062 N PRO A 73 4.578 -6.005 -10.483 1.00 0.00 N ATOM 1063 CA PRO A 73 5.200 -7.090 -9.687 1.00 0.00 C ATOM 1064 C PRO A 73 6.143 -6.630 -8.560 1.00 0.00 C ATOM 1065 O PRO A 73 7.357 -6.507 -8.727 1.00 0.00 O ATOM 1066 CB PRO A 73 5.879 -7.989 -10.731 1.00 0.00 C ATOM 1067 CG PRO A 73 6.212 -7.029 -11.866 1.00 0.00 C ATOM 1068 CD PRO A 73 5.040 -6.057 -11.882 1.00 0.00 C ATOM 0 HA PRO A 73 4.443 -7.621 -9.109 1.00 0.00 H new ATOM 0 HB2 PRO A 73 6.775 -8.463 -10.330 1.00 0.00 H new ATOM 0 HB3 PRO A 73 5.217 -8.789 -11.063 1.00 0.00 H new ATOM 0 HG2 PRO A 73 7.156 -6.513 -11.689 1.00 0.00 H new ATOM 0 HG3 PRO A 73 6.309 -7.553 -12.817 1.00 0.00 H new ATOM 0 HD2 PRO A 73 5.347 -5.072 -12.235 1.00 0.00 H new ATOM 0 HD3 PRO A 73 4.249 -6.402 -12.548 1.00 0.00 H new ATOM 1076 N GLY A 74 5.506 -6.365 -7.423 1.00 0.00 N ATOM 1077 CA GLY A 74 6.148 -6.010 -6.135 1.00 0.00 C ATOM 1078 C GLY A 74 5.276 -6.359 -4.918 1.00 0.00 C ATOM 1079 O GLY A 74 4.038 -6.411 -5.091 1.00 0.00 O ATOM 0 H GLY A 74 4.488 -6.389 -7.358 1.00 0.00 H new ATOM 0 HA2 GLY A 74 7.102 -6.531 -6.054 1.00 0.00 H new ATOM 0 HA3 GLY A 74 6.366 -4.942 -6.125 1.00 0.00 H new TER 1083 GLY A 74 ATOM 1084 N LYS B 75 -8.259 4.366 9.187 1.00 0.00 N ATOM 1085 CA LYS B 75 -7.040 3.569 9.427 1.00 0.00 C ATOM 1086 C LYS B 75 -6.815 2.413 8.414 1.00 0.00 C ATOM 1087 O LYS B 75 -7.498 1.390 8.452 1.00 0.00 O ATOM 1088 CB LYS B 75 -7.040 3.049 10.870 1.00 0.00 C ATOM 1089 CG LYS B 75 -6.756 4.169 11.865 1.00 0.00 C ATOM 1090 CD LYS B 75 -7.000 3.765 13.328 1.00 0.00 C ATOM 1091 CE LYS B 75 -8.485 3.742 13.682 1.00 0.00 C ATOM 1092 NZ LYS B 75 -8.653 3.296 15.074 1.00 0.00 N ATOM 0 HA LYS B 75 -6.197 4.242 9.271 1.00 0.00 H new ATOM 0 HB2 LYS B 75 -8.006 2.596 11.095 1.00 0.00 H new ATOM 0 HB3 LYS B 75 -6.289 2.267 10.976 1.00 0.00 H new ATOM 0 HG2 LYS B 75 -5.720 4.490 11.753 1.00 0.00 H new ATOM 0 HG3 LYS B 75 -7.384 5.027 11.624 1.00 0.00 H new ATOM 0 HD2 LYS B 75 -6.571 2.779 13.507 1.00 0.00 H new ATOM 0 HD3 LYS B 75 -6.482 4.462 13.987 1.00 0.00 H new ATOM 0 HE2 LYS B 75 -8.915 4.735 13.553 1.00 0.00 H new ATOM 0 HE3 LYS B 75 -9.020 3.073 13.008 1.00 0.00 H new ATOM 0 HZ1 LYS B 75 -9.665 3.281 15.314 1.00 0.00 H new ATOM 0 HZ2 LYS B 75 -8.257 2.341 15.183 1.00 0.00 H new ATOM 0 HZ3 LYS B 75 -8.156 3.951 15.711 1.00 0.00 H new ATOM 1108 N HIS B 76 -5.960 2.730 7.448 1.00 0.00 N ATOM 1109 CA HIS B 76 -5.546 1.878 6.305 1.00 0.00 C ATOM 1110 C HIS B 76 -5.529 0.376 6.607 1.00 0.00 C ATOM 1111 O HIS B 76 -4.618 -0.156 7.257 1.00 0.00 O ATOM 1112 CB HIS B 76 -4.170 2.331 5.784 1.00 0.00 C ATOM 1113 CG HIS B 76 -4.062 3.791 5.343 1.00 0.00 C ATOM 1114 ND1 HIS B 76 -4.695 4.859 5.842 1.00 0.00 N ATOM 1115 CD2 HIS B 76 -3.230 4.234 4.414 1.00 0.00 C ATOM 1116 CE1 HIS B 76 -4.254 5.945 5.206 1.00 0.00 C ATOM 1117 NE2 HIS B 76 -3.345 5.555 4.316 1.00 0.00 N ATOM 0 H HIS B 76 -5.501 3.641 7.427 1.00 0.00 H new ATOM 0 HA HIS B 76 -6.309 2.015 5.539 1.00 0.00 H new ATOM 0 HB2 HIS B 76 -3.432 2.154 6.567 1.00 0.00 H new ATOM 0 HB3 HIS B 76 -3.898 1.697 4.940 1.00 0.00 H new ATOM 0 HD2 HIS B 76 -2.563 3.619 3.828 1.00 0.00 H new ATOM 0 HE1 HIS B 76 -4.577 6.960 5.382 1.00 0.00 H new ATOM 0 HE2 HIS B 76 -2.830 6.159 3.675 1.00 0.00 H new ATOM 1125 N TRP B 77 -6.554 -0.285 6.091 1.00 0.00 N ATOM 1126 CA TRP B 77 -6.814 -1.708 6.372 1.00 0.00 C ATOM 1127 C TRP B 77 -5.829 -2.638 5.663 1.00 0.00 C ATOM 1128 O TRP B 77 -5.824 -2.794 4.436 1.00 0.00 O ATOM 1129 CB TRP B 77 -8.267 -2.075 6.056 1.00 0.00 C ATOM 1130 CG TRP B 77 -9.262 -1.224 6.850 1.00 0.00 C ATOM 1131 CD1 TRP B 77 -9.771 -0.073 6.422 1.00 0.00 C ATOM 1132 CD2 TRP B 77 -9.613 -1.343 8.190 1.00 0.00 C ATOM 1133 NE1 TRP B 77 -10.370 0.575 7.417 1.00 0.00 N ATOM 1134 CE2 TRP B 77 -10.318 -0.170 8.510 1.00 0.00 C ATOM 1135 CE3 TRP B 77 -9.433 -2.362 9.149 1.00 0.00 C ATOM 1136 CZ2 TRP B 77 -10.852 0.007 9.803 1.00 0.00 C ATOM 1137 CZ3 TRP B 77 -9.976 -2.185 10.438 1.00 0.00 C ATOM 1138 CH2 TRP B 77 -10.682 -1.012 10.758 1.00 0.00 C ATOM 0 H TRP B 77 -7.236 0.141 5.464 1.00 0.00 H new ATOM 0 HA TRP B 77 -6.655 -1.854 7.440 1.00 0.00 H new ATOM 0 HB2 TRP B 77 -8.450 -1.945 4.989 1.00 0.00 H new ATOM 0 HB3 TRP B 77 -8.431 -3.129 6.281 1.00 0.00 H new ATOM 0 HD1 TRP B 77 -9.707 0.287 5.406 1.00 0.00 H new ATOM 0 HE1 TRP B 77 -10.800 1.497 7.349 1.00 0.00 H new ATOM 0 HE3 TRP B 77 -8.889 -3.261 8.900 1.00 0.00 H new ATOM 0 HZ2 TRP B 77 -11.384 0.912 10.057 1.00 0.00 H new ATOM 0 HZ3 TRP B 77 -9.849 -2.955 11.184 1.00 0.00 H new ATOM 0 HH2 TRP B 77 -11.098 -0.892 11.747 1.00 0.00 H new ATOM 1149 N VAL B 78 -4.940 -3.216 6.475 1.00 0.00 N ATOM 1150 CA VAL B 78 -3.931 -4.198 6.026 1.00 0.00 C ATOM 1151 C VAL B 78 -4.463 -5.606 5.660 1.00 0.00 C ATOM 1152 O VAL B 78 -3.712 -6.586 5.617 1.00 0.00 O ATOM 1153 CB VAL B 78 -2.723 -4.269 6.986 1.00 0.00 C ATOM 1154 CG1 VAL B 78 -1.826 -3.042 6.822 1.00 0.00 C ATOM 1155 CG2 VAL B 78 -3.121 -4.490 8.453 1.00 0.00 C ATOM 0 H VAL B 78 -4.894 -3.018 7.475 1.00 0.00 H new ATOM 0 HA VAL B 78 -3.593 -3.796 5.071 1.00 0.00 H new ATOM 0 HB VAL B 78 -2.153 -5.153 6.702 1.00 0.00 H new ATOM 0 HG11 VAL B 78 -0.982 -3.114 7.508 1.00 0.00 H new ATOM 0 HG12 VAL B 78 -1.458 -2.995 5.797 1.00 0.00 H new ATOM 0 HG13 VAL B 78 -2.398 -2.141 7.044 1.00 0.00 H new ATOM 0 HG21 VAL B 78 -2.224 -4.530 9.071 1.00 0.00 H new ATOM 0 HG22 VAL B 78 -3.755 -3.668 8.786 1.00 0.00 H new ATOM 0 HG23 VAL B 78 -3.667 -5.429 8.544 1.00 0.00 H new ATOM 1165 N TYR B 79 -5.635 -5.586 5.032 1.00 0.00 N ATOM 1166 CA TYR B 79 -6.495 -6.769 4.820 1.00 0.00 C ATOM 1167 C TYR B 79 -6.302 -7.517 3.489 1.00 0.00 C ATOM 1168 O TYR B 79 -6.837 -7.179 2.438 1.00 0.00 O ATOM 1169 CB TYR B 79 -7.963 -6.401 5.078 1.00 0.00 C ATOM 1170 CG TYR B 79 -8.681 -5.432 4.115 1.00 0.00 C ATOM 1171 CD1 TYR B 79 -7.994 -4.519 3.281 1.00 0.00 C ATOM 1172 CD2 TYR B 79 -10.091 -5.474 4.141 1.00 0.00 C ATOM 1173 CE1 TYR B 79 -8.723 -3.639 2.460 1.00 0.00 C ATOM 1174 CE2 TYR B 79 -10.824 -4.594 3.328 1.00 0.00 C ATOM 1175 CZ TYR B 79 -10.128 -3.689 2.500 1.00 0.00 C ATOM 1176 OH TYR B 79 -10.836 -2.784 1.782 1.00 0.00 O ATOM 0 H TYR B 79 -6.032 -4.731 4.643 1.00 0.00 H new ATOM 0 HA TYR B 79 -6.165 -7.504 5.554 1.00 0.00 H new ATOM 0 HB2 TYR B 79 -8.535 -7.329 5.095 1.00 0.00 H new ATOM 0 HB3 TYR B 79 -8.022 -5.972 6.078 1.00 0.00 H new ATOM 0 HD1 TYR B 79 -6.914 -4.497 3.274 1.00 0.00 H new ATOM 0 HD2 TYR B 79 -10.603 -6.177 4.781 1.00 0.00 H new ATOM 0 HE1 TYR B 79 -8.214 -2.940 1.813 1.00 0.00 H new ATOM 0 HE2 TYR B 79 -11.904 -4.610 3.337 1.00 0.00 H new ATOM 0 HH TYR B 79 -11.764 -2.771 2.096 1.00 0.00 H new ATOM 1186 N TYR B 80 -5.401 -8.491 3.553 1.00 0.00 N ATOM 1187 CA TYR B 80 -5.257 -9.530 2.509 1.00 0.00 C ATOM 1188 C TYR B 80 -6.537 -10.352 2.260 1.00 0.00 C ATOM 1189 O TYR B 80 -6.765 -10.683 1.069 1.00 0.00 O ATOM 1190 CB TYR B 80 -4.068 -10.439 2.809 1.00 0.00 C ATOM 1191 CG TYR B 80 -3.973 -10.938 4.256 1.00 0.00 C ATOM 1192 CD1 TYR B 80 -3.253 -10.161 5.195 1.00 0.00 C ATOM 1193 CD2 TYR B 80 -4.589 -12.154 4.627 1.00 0.00 C ATOM 1194 CE1 TYR B 80 -3.143 -10.608 6.520 1.00 0.00 C ATOM 1195 CE2 TYR B 80 -4.482 -12.600 5.961 1.00 0.00 C ATOM 1196 CZ TYR B 80 -3.754 -11.826 6.882 1.00 0.00 C ATOM 1197 OH TYR B 80 -3.589 -12.281 8.155 1.00 0.00 O ATOM 0 H TYR B 80 -4.744 -8.593 4.326 1.00 0.00 H new ATOM 0 HA TYR B 80 -5.070 -8.994 1.579 1.00 0.00 H new ATOM 0 HB2 TYR B 80 -4.116 -11.303 2.147 1.00 0.00 H new ATOM 0 HB3 TYR B 80 -3.151 -9.902 2.566 1.00 0.00 H new ATOM 0 HD1 TYR B 80 -2.792 -9.232 4.894 1.00 0.00 H new ATOM 0 HD2 TYR B 80 -5.135 -12.735 3.898 1.00 0.00 H new ATOM 0 HE1 TYR B 80 -2.599 -10.028 7.251 1.00 0.00 H new ATOM 0 HE2 TYR B 80 -4.952 -13.522 6.270 1.00 0.00 H new ATOM 0 HH TYR B 80 -4.066 -13.130 8.263 1.00 0.00 H new TER 1207 TYR B 80