USER MOD reduce.3.24.130724 H: found=0, std=0, add=506, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 504 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 NoAdj-H: A 28 HIS HD1 : A 28 HIS ND1 : A 67 ZNZN :(H bumps) USER MOD NoAdj-H: A 31 HIS HD1 : A 31 HIS ND1 : A 67 ZNZN :(H bumps) USER MOD NoAdj-H: A 58 HIS HD1 : A 58 HIS ND1 : A 68 ZNZN :(H bumps) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot -27:sc= 0.0201 USER MOD Single : A 3 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 21 ASN : amide:sc= -2.42! K(o=-2.4!,f=-0.2) USER MOD Single : A 23 MET CE :methyl -161:sc= -1.16 (180deg=-2.67!) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 GLN : amide:sc= -7.62! K(o=-7.6!,f=-1.8) USER MOD Single : A 36 LYS NZ :NH3+ 157:sc= 0 (180deg=-0.523) USER MOD Single : A 39 LYS NZ :NH3+ -166:sc= 0 (180deg=-0.107) USER MOD Single : A 44 HIS : no HD1:sc= -0.118 X(o=-0.12,f=0) USER MOD Single : A 46 HIS : no HD1:sc= -0.426 K(o=-0.43,f=-1.5) USER MOD Single : A 47 TYR OH : rot 8:sc= -1.11 USER MOD Single : A 50 LYS NZ :NH3+ -123:sc= 0.871 (180deg=-0.432) USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 ASN : amide:sc= -0.75 K(o=-0.75,f=-6.4!) USER MOD Single : A 61 GLN : amide:sc= -0.136 X(o=-0.14,f=-0.44) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 12.346 21.957 -3.985 1.00 0.00 N ATOM 2 CA GLY A 1 11.679 21.874 -2.654 1.00 0.00 C ATOM 3 C GLY A 1 10.513 22.862 -2.604 1.00 0.00 C ATOM 4 O GLY A 1 10.692 24.057 -2.741 1.00 0.00 O ATOM 0 H1 GLY A 1 13.139 21.285 -4.018 1.00 0.00 H new ATOM 0 H2 GLY A 1 11.661 21.722 -4.732 1.00 0.00 H new ATOM 0 H3 GLY A 1 12.704 22.922 -4.134 1.00 0.00 H new ATOM 0 HA2 GLY A 1 11.318 20.860 -2.479 1.00 0.00 H new ATOM 0 HA3 GLY A 1 12.394 22.099 -1.863 1.00 0.00 H new ATOM 10 N SER A 2 9.319 22.375 -2.408 1.00 0.00 N ATOM 11 CA SER A 2 8.142 23.287 -2.350 1.00 0.00 C ATOM 12 C SER A 2 6.945 22.536 -1.762 1.00 0.00 C ATOM 13 O SER A 2 5.971 23.130 -1.344 1.00 0.00 O ATOM 14 CB SER A 2 7.799 23.768 -3.760 1.00 0.00 C ATOM 15 OG SER A 2 6.857 24.830 -3.677 1.00 0.00 O ATOM 0 H SER A 2 9.107 21.385 -2.285 1.00 0.00 H new ATOM 0 HA SER A 2 8.378 24.146 -1.721 1.00 0.00 H new ATOM 0 HB2 SER A 2 8.701 24.105 -4.271 1.00 0.00 H new ATOM 0 HB3 SER A 2 7.388 22.947 -4.347 1.00 0.00 H new ATOM 0 HG SER A 2 6.335 24.740 -2.853 1.00 0.00 H new ATOM 21 N MET A 3 7.008 21.233 -1.728 1.00 0.00 N ATOM 22 CA MET A 3 5.874 20.445 -1.167 1.00 0.00 C ATOM 23 C MET A 3 5.591 20.907 0.263 1.00 0.00 C ATOM 24 O MET A 3 6.200 21.834 0.759 1.00 0.00 O ATOM 25 CB MET A 3 6.239 18.960 -1.163 1.00 0.00 C ATOM 26 CG MET A 3 6.732 18.551 -2.553 1.00 0.00 C ATOM 27 SD MET A 3 6.898 16.750 -2.629 1.00 0.00 S ATOM 28 CE MET A 3 7.846 16.675 -4.169 1.00 0.00 C ATOM 0 H MET A 3 7.796 20.680 -2.065 1.00 0.00 H new ATOM 0 HA MET A 3 4.985 20.598 -1.779 1.00 0.00 H new ATOM 0 HB2 MET A 3 7.013 18.767 -0.420 1.00 0.00 H new ATOM 0 HB3 MET A 3 5.372 18.362 -0.883 1.00 0.00 H new ATOM 0 HG2 MET A 3 6.032 18.895 -3.315 1.00 0.00 H new ATOM 0 HG3 MET A 3 7.691 19.024 -2.764 1.00 0.00 H new ATOM 0 HE1 MET A 3 8.064 15.635 -4.412 1.00 0.00 H new ATOM 0 HE2 MET A 3 7.265 17.122 -4.976 1.00 0.00 H new ATOM 0 HE3 MET A 3 8.781 17.223 -4.048 1.00 0.00 H new ATOM 38 N GLY A 4 4.669 20.269 0.931 1.00 0.00 N ATOM 39 CA GLY A 4 4.347 20.672 2.328 1.00 0.00 C ATOM 40 C GLY A 4 3.547 19.562 3.010 1.00 0.00 C ATOM 41 O GLY A 4 3.726 19.281 4.178 1.00 0.00 O ATOM 0 H GLY A 4 4.125 19.486 0.569 1.00 0.00 H new ATOM 0 HA2 GLY A 4 5.265 20.866 2.882 1.00 0.00 H new ATOM 0 HA3 GLY A 4 3.774 21.599 2.327 1.00 0.00 H new ATOM 45 N VAL A 5 2.663 18.929 2.288 1.00 0.00 N ATOM 46 CA VAL A 5 1.847 17.835 2.890 1.00 0.00 C ATOM 47 C VAL A 5 1.589 16.751 1.836 1.00 0.00 C ATOM 48 O VAL A 5 1.159 17.053 0.740 1.00 0.00 O ATOM 49 CB VAL A 5 0.496 18.400 3.355 1.00 0.00 C ATOM 50 CG1 VAL A 5 -0.579 17.318 3.260 1.00 0.00 C ATOM 51 CG2 VAL A 5 0.583 18.867 4.808 1.00 0.00 C ATOM 0 H VAL A 5 2.470 19.122 1.305 1.00 0.00 H new ATOM 0 HA VAL A 5 2.385 17.411 3.738 1.00 0.00 H new ATOM 0 HB VAL A 5 0.241 19.244 2.714 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -1.535 17.725 3.591 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -0.666 16.981 2.227 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -0.304 16.475 3.894 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -0.383 19.264 5.121 1.00 0.00 H new ATOM 0 HG22 VAL A 5 0.853 18.025 5.445 1.00 0.00 H new ATOM 0 HG23 VAL A 5 1.341 19.645 4.895 1.00 0.00 H new ATOM 61 N PRO A 6 1.826 15.515 2.204 1.00 0.00 N ATOM 62 CA PRO A 6 1.587 14.382 1.310 1.00 0.00 C ATOM 63 C PRO A 6 0.099 14.145 1.207 1.00 0.00 C ATOM 64 O PRO A 6 -0.674 14.628 2.009 1.00 0.00 O ATOM 65 CB PRO A 6 2.270 13.190 1.987 1.00 0.00 C ATOM 66 CG PRO A 6 2.723 13.659 3.390 1.00 0.00 C ATOM 67 CD PRO A 6 2.360 15.141 3.525 1.00 0.00 C ATOM 0 HA PRO A 6 1.971 14.546 0.303 1.00 0.00 H new ATOM 0 HB2 PRO A 6 1.583 12.347 2.066 1.00 0.00 H new ATOM 0 HB3 PRO A 6 3.124 12.852 1.400 1.00 0.00 H new ATOM 0 HG2 PRO A 6 2.232 13.073 4.166 1.00 0.00 H new ATOM 0 HG3 PRO A 6 3.796 13.515 3.513 1.00 0.00 H new ATOM 0 HD2 PRO A 6 1.621 15.298 4.310 1.00 0.00 H new ATOM 0 HD3 PRO A 6 3.232 15.741 3.784 1.00 0.00 H new ATOM 75 N ILE A 7 -0.310 13.411 0.227 1.00 0.00 N ATOM 76 CA ILE A 7 -1.753 13.145 0.071 1.00 0.00 C ATOM 77 C ILE A 7 -1.965 11.671 -0.230 1.00 0.00 C ATOM 78 O ILE A 7 -1.451 11.127 -1.186 1.00 0.00 O ATOM 79 CB ILE A 7 -2.308 14.029 -1.037 1.00 0.00 C ATOM 80 CG1 ILE A 7 -2.494 15.427 -0.454 1.00 0.00 C ATOM 81 CG2 ILE A 7 -3.651 13.473 -1.500 1.00 0.00 C ATOM 82 CD1 ILE A 7 -2.903 16.424 -1.531 1.00 0.00 C ATOM 0 H ILE A 7 0.293 12.982 -0.475 1.00 0.00 H new ATOM 0 HA ILE A 7 -2.285 13.380 0.993 1.00 0.00 H new ATOM 0 HB ILE A 7 -1.632 14.060 -1.892 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -3.254 15.400 0.327 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -1.566 15.755 0.015 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -4.052 14.104 -2.294 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -3.515 12.459 -1.876 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -4.347 13.459 -0.662 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -3.028 17.411 -1.085 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -2.130 16.468 -2.298 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -3.844 16.108 -1.981 1.00 0.00 H new ATOM 94 N CYS A 8 -2.702 11.021 0.619 1.00 0.00 N ATOM 95 CA CYS A 8 -2.946 9.573 0.448 1.00 0.00 C ATOM 96 C CYS A 8 -3.598 9.311 -0.903 1.00 0.00 C ATOM 97 O CYS A 8 -4.700 9.743 -1.176 1.00 0.00 O ATOM 98 CB CYS A 8 -3.842 9.077 1.580 1.00 0.00 C ATOM 99 SG CYS A 8 -4.363 7.377 1.254 1.00 0.00 S ATOM 0 H CYS A 8 -3.150 11.439 1.434 1.00 0.00 H new ATOM 0 HA CYS A 8 -1.999 9.035 0.481 1.00 0.00 H new ATOM 0 HB2 CYS A 8 -3.306 9.127 2.528 1.00 0.00 H new ATOM 0 HB3 CYS A 8 -4.715 9.722 1.673 1.00 0.00 H new ATOM 104 N GLY A 9 -2.912 8.601 -1.749 1.00 0.00 N ATOM 105 CA GLY A 9 -3.466 8.296 -3.092 1.00 0.00 C ATOM 106 C GLY A 9 -4.729 7.453 -2.936 1.00 0.00 C ATOM 107 O GLY A 9 -5.380 7.105 -3.902 1.00 0.00 O ATOM 0 H GLY A 9 -1.985 8.216 -1.566 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -3.695 9.220 -3.622 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -2.728 7.760 -3.689 1.00 0.00 H new ATOM 111 N ALA A 10 -5.077 7.116 -1.726 1.00 0.00 N ATOM 112 CA ALA A 10 -6.294 6.287 -1.504 1.00 0.00 C ATOM 113 C ALA A 10 -7.521 7.193 -1.441 1.00 0.00 C ATOM 114 O ALA A 10 -8.490 6.994 -2.146 1.00 0.00 O ATOM 115 CB ALA A 10 -6.151 5.517 -0.188 1.00 0.00 C ATOM 0 H ALA A 10 -4.571 7.379 -0.880 1.00 0.00 H new ATOM 0 HA ALA A 10 -6.411 5.580 -2.325 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -7.041 4.909 -0.023 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -5.275 4.871 -0.238 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -6.036 6.222 0.635 1.00 0.00 H new ATOM 121 N CYS A 11 -7.483 8.187 -0.601 1.00 0.00 N ATOM 122 CA CYS A 11 -8.640 9.118 -0.480 1.00 0.00 C ATOM 123 C CYS A 11 -8.241 10.491 -1.019 1.00 0.00 C ATOM 124 O CYS A 11 -8.988 11.444 -0.925 1.00 0.00 O ATOM 125 CB CYS A 11 -9.037 9.241 0.993 1.00 0.00 C ATOM 126 SG CYS A 11 -7.544 9.284 2.015 1.00 0.00 S ATOM 0 H CYS A 11 -6.695 8.397 0.012 1.00 0.00 H new ATOM 0 HA CYS A 11 -9.484 8.734 -1.053 1.00 0.00 H new ATOM 0 HB2 CYS A 11 -9.624 10.146 1.149 1.00 0.00 H new ATOM 0 HB3 CYS A 11 -9.666 8.399 1.283 1.00 0.00 H new ATOM 131 N ARG A 12 -7.062 10.605 -1.573 1.00 0.00 N ATOM 132 CA ARG A 12 -6.618 11.919 -2.102 1.00 0.00 C ATOM 133 C ARG A 12 -6.769 12.960 -0.997 1.00 0.00 C ATOM 134 O ARG A 12 -7.211 14.069 -1.226 1.00 0.00 O ATOM 135 CB ARG A 12 -7.479 12.313 -3.307 1.00 0.00 C ATOM 136 CG ARG A 12 -7.147 11.405 -4.496 1.00 0.00 C ATOM 137 CD ARG A 12 -5.711 11.668 -4.975 1.00 0.00 C ATOM 138 NE ARG A 12 -5.672 11.707 -6.472 1.00 0.00 N ATOM 139 CZ ARG A 12 -6.308 10.815 -7.186 1.00 0.00 C ATOM 140 NH1 ARG A 12 -6.922 9.819 -6.609 1.00 0.00 N ATOM 141 NH2 ARG A 12 -6.308 10.908 -8.488 1.00 0.00 N ATOM 0 H ARG A 12 -6.392 9.844 -1.680 1.00 0.00 H new ATOM 0 HA ARG A 12 -5.577 11.860 -2.421 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -8.536 12.227 -3.055 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -7.298 13.355 -3.571 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -7.257 10.360 -4.207 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -7.849 11.586 -5.310 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -5.350 12.613 -4.568 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -5.046 10.887 -4.605 1.00 0.00 H new ATOM 0 HE ARG A 12 -5.141 12.441 -6.942 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -6.909 9.731 -5.593 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -7.416 9.128 -7.174 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -5.813 11.674 -8.945 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -6.803 10.214 -9.049 1.00 0.00 H new ATOM 155 N ARG A 13 -6.400 12.601 0.204 1.00 0.00 N ATOM 156 CA ARG A 13 -6.512 13.553 1.346 1.00 0.00 C ATOM 157 C ARG A 13 -5.104 13.851 1.872 1.00 0.00 C ATOM 158 O ARG A 13 -4.268 12.971 1.897 1.00 0.00 O ATOM 159 CB ARG A 13 -7.341 12.912 2.462 1.00 0.00 C ATOM 160 CG ARG A 13 -8.833 13.043 2.141 1.00 0.00 C ATOM 161 CD ARG A 13 -9.667 12.590 3.347 1.00 0.00 C ATOM 162 NE ARG A 13 -10.745 11.670 2.886 1.00 0.00 N ATOM 163 CZ ARG A 13 -11.386 10.932 3.750 1.00 0.00 C ATOM 164 NH1 ARG A 13 -11.086 11.002 5.018 1.00 0.00 N ATOM 165 NH2 ARG A 13 -12.328 10.124 3.346 1.00 0.00 N ATOM 0 H ARG A 13 -6.024 11.684 0.444 1.00 0.00 H new ATOM 0 HA ARG A 13 -6.995 14.474 1.019 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -7.073 11.861 2.568 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -7.121 13.395 3.414 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -9.071 14.077 1.891 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -9.081 12.439 1.268 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -9.031 12.086 4.075 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -10.102 13.455 3.848 1.00 0.00 H new ATOM 0 HE ARG A 13 -10.982 11.617 1.895 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -10.350 11.634 5.334 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -11.587 10.425 5.693 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -12.563 10.070 2.355 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -12.829 9.547 4.021 1.00 0.00 H new ATOM 179 N PRO A 14 -4.870 15.075 2.280 1.00 0.00 N ATOM 180 CA PRO A 14 -3.553 15.473 2.802 1.00 0.00 C ATOM 181 C PRO A 14 -3.152 14.571 3.971 1.00 0.00 C ATOM 182 O PRO A 14 -3.753 14.603 5.027 1.00 0.00 O ATOM 183 CB PRO A 14 -3.730 16.934 3.244 1.00 0.00 C ATOM 184 CG PRO A 14 -5.159 17.374 2.860 1.00 0.00 C ATOM 185 CD PRO A 14 -5.880 16.153 2.264 1.00 0.00 C ATOM 0 HA PRO A 14 -2.759 15.377 2.062 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -3.577 17.029 4.319 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -2.991 17.572 2.759 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -5.693 17.744 3.735 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -5.127 18.190 2.138 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -6.756 15.884 2.854 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -6.228 16.354 1.251 1.00 0.00 H new ATOM 193 N ILE A 15 -2.137 13.766 3.790 1.00 0.00 N ATOM 194 CA ILE A 15 -1.705 12.869 4.900 1.00 0.00 C ATOM 195 C ILE A 15 -1.085 13.723 6.007 1.00 0.00 C ATOM 196 O ILE A 15 -0.666 14.840 5.772 1.00 0.00 O ATOM 197 CB ILE A 15 -0.697 11.833 4.378 1.00 0.00 C ATOM 198 CG1 ILE A 15 -1.384 10.940 3.341 1.00 0.00 C ATOM 199 CG2 ILE A 15 -0.205 10.963 5.538 1.00 0.00 C ATOM 200 CD1 ILE A 15 -0.353 10.435 2.325 1.00 0.00 C ATOM 0 H ILE A 15 -1.594 13.692 2.930 1.00 0.00 H new ATOM 0 HA ILE A 15 -2.563 12.329 5.301 1.00 0.00 H new ATOM 0 HB ILE A 15 0.149 12.349 3.924 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -1.864 10.096 3.836 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -2.169 11.498 2.830 1.00 0.00 H new ATOM 0 HG21 ILE A 15 0.510 10.229 5.165 1.00 0.00 H new ATOM 0 HG22 ILE A 15 0.278 11.592 6.285 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -1.052 10.447 5.991 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -0.847 9.800 1.590 1.00 0.00 H new ATOM 0 HD12 ILE A 15 0.107 11.285 1.820 1.00 0.00 H new ATOM 0 HD13 ILE A 15 0.416 9.861 2.842 1.00 0.00 H new ATOM 212 N GLU A 16 -1.041 13.231 7.217 1.00 0.00 N ATOM 213 CA GLU A 16 -0.465 14.057 8.321 1.00 0.00 C ATOM 214 C GLU A 16 -0.075 13.170 9.504 1.00 0.00 C ATOM 215 O GLU A 16 -0.596 13.298 10.594 1.00 0.00 O ATOM 216 CB GLU A 16 -1.501 15.089 8.774 1.00 0.00 C ATOM 217 CG GLU A 16 -2.891 14.448 8.787 1.00 0.00 C ATOM 218 CD GLU A 16 -3.843 15.304 9.625 1.00 0.00 C ATOM 219 OE1 GLU A 16 -4.136 16.412 9.207 1.00 0.00 O ATOM 220 OE2 GLU A 16 -4.264 14.836 10.670 1.00 0.00 O ATOM 0 H GLU A 16 -1.374 12.306 7.488 1.00 0.00 H new ATOM 0 HA GLU A 16 0.428 14.564 7.955 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -1.250 15.459 9.768 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -1.492 15.948 8.103 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -3.269 14.356 7.769 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -2.834 13.440 9.199 1.00 0.00 H new ATOM 227 N GLY A 17 0.847 12.282 9.291 1.00 0.00 N ATOM 228 CA GLY A 17 1.304 11.377 10.383 1.00 0.00 C ATOM 229 C GLY A 17 2.395 10.487 9.815 1.00 0.00 C ATOM 230 O GLY A 17 3.533 10.888 9.674 1.00 0.00 O ATOM 0 H GLY A 17 1.313 12.140 8.395 1.00 0.00 H new ATOM 0 HA2 GLY A 17 1.682 11.955 11.226 1.00 0.00 H new ATOM 0 HA3 GLY A 17 0.474 10.776 10.755 1.00 0.00 H new ATOM 234 N ARG A 18 2.041 9.296 9.445 1.00 0.00 N ATOM 235 CA ARG A 18 3.031 8.376 8.832 1.00 0.00 C ATOM 236 C ARG A 18 2.619 8.179 7.379 1.00 0.00 C ATOM 237 O ARG A 18 1.493 7.831 7.086 1.00 0.00 O ATOM 238 CB ARG A 18 3.027 7.038 9.557 1.00 0.00 C ATOM 239 CG ARG A 18 3.753 7.177 10.894 1.00 0.00 C ATOM 240 CD ARG A 18 3.902 5.797 11.539 1.00 0.00 C ATOM 241 NE ARG A 18 5.090 5.793 12.434 1.00 0.00 N ATOM 242 CZ ARG A 18 5.237 4.847 13.320 1.00 0.00 C ATOM 243 NH1 ARG A 18 4.338 3.905 13.425 1.00 0.00 N ATOM 244 NH2 ARG A 18 6.281 4.841 14.103 1.00 0.00 N ATOM 0 H ARG A 18 1.100 8.915 9.541 1.00 0.00 H new ATOM 0 HA ARG A 18 4.036 8.792 8.901 1.00 0.00 H new ATOM 0 HB2 ARG A 18 2.002 6.705 9.721 1.00 0.00 H new ATOM 0 HB3 ARG A 18 3.514 6.280 8.944 1.00 0.00 H new ATOM 0 HG2 ARG A 18 4.734 7.627 10.742 1.00 0.00 H new ATOM 0 HG3 ARG A 18 3.196 7.841 11.555 1.00 0.00 H new ATOM 0 HD2 ARG A 18 3.005 5.551 12.107 1.00 0.00 H new ATOM 0 HD3 ARG A 18 4.011 5.034 10.769 1.00 0.00 H new ATOM 0 HE ARG A 18 5.790 6.530 12.355 1.00 0.00 H new ATOM 0 HH11 ARG A 18 3.521 3.909 12.814 1.00 0.00 H new ATOM 0 HH12 ARG A 18 4.453 3.165 14.118 1.00 0.00 H new ATOM 0 HH21 ARG A 18 6.983 5.577 14.023 1.00 0.00 H new ATOM 0 HH22 ARG A 18 6.395 4.101 14.795 1.00 0.00 H new ATOM 258 N VAL A 19 3.507 8.435 6.466 1.00 0.00 N ATOM 259 CA VAL A 19 3.148 8.304 5.025 1.00 0.00 C ATOM 260 C VAL A 19 3.734 7.026 4.437 1.00 0.00 C ATOM 261 O VAL A 19 4.760 6.540 4.870 1.00 0.00 O ATOM 262 CB VAL A 19 3.710 9.506 4.261 1.00 0.00 C ATOM 263 CG1 VAL A 19 3.279 9.439 2.789 1.00 0.00 C ATOM 264 CG2 VAL A 19 3.180 10.800 4.884 1.00 0.00 C ATOM 0 H VAL A 19 4.466 8.729 6.651 1.00 0.00 H new ATOM 0 HA VAL A 19 2.062 8.266 4.936 1.00 0.00 H new ATOM 0 HB VAL A 19 4.798 9.488 4.319 1.00 0.00 H new ATOM 0 HG11 VAL A 19 3.683 10.297 2.252 1.00 0.00 H new ATOM 0 HG12 VAL A 19 3.657 8.520 2.341 1.00 0.00 H new ATOM 0 HG13 VAL A 19 2.191 9.452 2.728 1.00 0.00 H new ATOM 0 HG21 VAL A 19 3.580 11.656 4.340 1.00 0.00 H new ATOM 0 HG22 VAL A 19 2.091 10.811 4.829 1.00 0.00 H new ATOM 0 HG23 VAL A 19 3.491 10.855 5.927 1.00 0.00 H new ATOM 274 N VAL A 20 3.096 6.500 3.427 1.00 0.00 N ATOM 275 CA VAL A 20 3.611 5.274 2.765 1.00 0.00 C ATOM 276 C VAL A 20 3.919 5.639 1.321 1.00 0.00 C ATOM 277 O VAL A 20 3.040 5.988 0.565 1.00 0.00 O ATOM 278 CB VAL A 20 2.554 4.169 2.806 1.00 0.00 C ATOM 279 CG1 VAL A 20 2.878 3.105 1.749 1.00 0.00 C ATOM 280 CG2 VAL A 20 2.550 3.527 4.193 1.00 0.00 C ATOM 0 H VAL A 20 2.233 6.873 3.031 1.00 0.00 H new ATOM 0 HA VAL A 20 4.503 4.908 3.274 1.00 0.00 H new ATOM 0 HB VAL A 20 1.573 4.596 2.597 1.00 0.00 H new ATOM 0 HG11 VAL A 20 2.123 2.319 1.781 1.00 0.00 H new ATOM 0 HG12 VAL A 20 2.883 3.564 0.760 1.00 0.00 H new ATOM 0 HG13 VAL A 20 3.858 2.675 1.954 1.00 0.00 H new ATOM 0 HG21 VAL A 20 1.798 2.739 4.227 1.00 0.00 H new ATOM 0 HG22 VAL A 20 3.532 3.101 4.400 1.00 0.00 H new ATOM 0 HG23 VAL A 20 2.317 4.283 4.943 1.00 0.00 H new ATOM 290 N ASN A 21 5.156 5.588 0.934 1.00 0.00 N ATOM 291 CA ASN A 21 5.499 5.961 -0.463 1.00 0.00 C ATOM 292 C ASN A 21 5.402 4.733 -1.363 1.00 0.00 C ATOM 293 O ASN A 21 6.242 3.856 -1.334 1.00 0.00 O ATOM 294 CB ASN A 21 6.918 6.522 -0.502 1.00 0.00 C ATOM 295 CG ASN A 21 6.932 7.923 0.110 1.00 0.00 C ATOM 296 OD1 ASN A 21 7.611 8.805 -0.377 1.00 0.00 O ATOM 297 ND2 ASN A 21 6.204 8.169 1.166 1.00 0.00 N ATOM 0 H ASN A 21 5.943 5.306 1.519 1.00 0.00 H new ATOM 0 HA ASN A 21 4.801 6.718 -0.820 1.00 0.00 H new ATOM 0 HB2 ASN A 21 7.594 5.867 0.048 1.00 0.00 H new ATOM 0 HB3 ASN A 21 7.277 6.560 -1.531 1.00 0.00 H new ATOM 0 HD21 ASN A 21 6.206 9.101 1.581 1.00 0.00 H new ATOM 0 HD22 ASN A 21 5.634 7.429 1.576 1.00 0.00 H new ATOM 304 N ALA A 22 4.379 4.671 -2.166 1.00 0.00 N ATOM 305 CA ALA A 22 4.209 3.509 -3.079 1.00 0.00 C ATOM 306 C ALA A 22 3.567 3.999 -4.374 1.00 0.00 C ATOM 307 O ALA A 22 2.971 5.057 -4.414 1.00 0.00 O ATOM 308 CB ALA A 22 3.303 2.470 -2.419 1.00 0.00 C ATOM 0 H ALA A 22 3.649 5.380 -2.229 1.00 0.00 H new ATOM 0 HA ALA A 22 5.177 3.054 -3.291 1.00 0.00 H new ATOM 0 HB1 ALA A 22 3.178 1.619 -3.088 1.00 0.00 H new ATOM 0 HB2 ALA A 22 3.754 2.135 -1.485 1.00 0.00 H new ATOM 0 HB3 ALA A 22 2.330 2.915 -2.213 1.00 0.00 H new ATOM 314 N MET A 23 3.688 3.254 -5.439 1.00 0.00 N ATOM 315 CA MET A 23 3.085 3.706 -6.720 1.00 0.00 C ATOM 316 C MET A 23 3.681 5.057 -7.066 1.00 0.00 C ATOM 317 O MET A 23 3.160 5.804 -7.870 1.00 0.00 O ATOM 318 CB MET A 23 1.573 3.856 -6.556 1.00 0.00 C ATOM 319 CG MET A 23 1.000 2.633 -5.836 1.00 0.00 C ATOM 320 SD MET A 23 1.053 1.213 -6.953 1.00 0.00 S ATOM 321 CE MET A 23 1.294 -0.069 -5.701 1.00 0.00 C ATOM 0 H MET A 23 4.175 2.359 -5.476 1.00 0.00 H new ATOM 0 HA MET A 23 3.287 2.979 -7.507 1.00 0.00 H new ATOM 0 HB2 MET A 23 1.348 4.760 -5.990 1.00 0.00 H new ATOM 0 HB3 MET A 23 1.102 3.967 -7.533 1.00 0.00 H new ATOM 0 HG2 MET A 23 1.575 2.424 -4.934 1.00 0.00 H new ATOM 0 HG3 MET A 23 -0.026 2.827 -5.522 1.00 0.00 H new ATOM 0 HE1 MET A 23 1.685 -0.970 -6.173 1.00 0.00 H new ATOM 0 HE2 MET A 23 2.001 0.284 -4.950 1.00 0.00 H new ATOM 0 HE3 MET A 23 0.341 -0.295 -5.223 1.00 0.00 H new ATOM 331 N GLY A 24 4.761 5.376 -6.434 1.00 0.00 N ATOM 332 CA GLY A 24 5.409 6.689 -6.677 1.00 0.00 C ATOM 333 C GLY A 24 4.516 7.765 -6.070 1.00 0.00 C ATOM 334 O GLY A 24 4.570 8.924 -6.431 1.00 0.00 O ATOM 0 H GLY A 24 5.231 4.781 -5.752 1.00 0.00 H new ATOM 0 HA2 GLY A 24 6.401 6.716 -6.226 1.00 0.00 H new ATOM 0 HA3 GLY A 24 5.540 6.859 -7.746 1.00 0.00 H new ATOM 338 N LYS A 25 3.677 7.363 -5.156 1.00 0.00 N ATOM 339 CA LYS A 25 2.735 8.314 -4.503 1.00 0.00 C ATOM 340 C LYS A 25 2.929 8.282 -2.989 1.00 0.00 C ATOM 341 O LYS A 25 3.981 7.952 -2.483 1.00 0.00 O ATOM 342 CB LYS A 25 1.299 7.879 -4.822 1.00 0.00 C ATOM 343 CG LYS A 25 1.038 7.973 -6.333 1.00 0.00 C ATOM 344 CD LYS A 25 -0.282 8.714 -6.584 1.00 0.00 C ATOM 345 CE LYS A 25 -0.058 10.222 -6.476 1.00 0.00 C ATOM 346 NZ LYS A 25 -1.315 10.939 -6.829 1.00 0.00 N ATOM 0 H LYS A 25 3.604 6.400 -4.829 1.00 0.00 H new ATOM 0 HA LYS A 25 2.924 9.322 -4.872 1.00 0.00 H new ATOM 0 HB2 LYS A 25 1.137 6.857 -4.481 1.00 0.00 H new ATOM 0 HB3 LYS A 25 0.592 8.510 -4.284 1.00 0.00 H new ATOM 0 HG2 LYS A 25 1.859 8.497 -6.822 1.00 0.00 H new ATOM 0 HG3 LYS A 25 0.994 6.974 -6.767 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -0.668 8.464 -7.572 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -1.032 8.396 -5.860 1.00 0.00 H new ATOM 0 HE2 LYS A 25 0.250 10.483 -5.463 1.00 0.00 H new ATOM 0 HE3 LYS A 25 0.748 10.529 -7.143 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -1.162 11.965 -6.755 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -1.590 10.699 -7.803 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -2.072 10.654 -6.176 1.00 0.00 H new ATOM 360 N GLN A 26 1.895 8.619 -2.278 1.00 0.00 N ATOM 361 CA GLN A 26 1.929 8.623 -0.794 1.00 0.00 C ATOM 362 C GLN A 26 0.614 7.995 -0.331 1.00 0.00 C ATOM 363 O GLN A 26 -0.408 8.189 -0.957 1.00 0.00 O ATOM 364 CB GLN A 26 2.032 10.074 -0.319 1.00 0.00 C ATOM 365 CG GLN A 26 3.481 10.564 -0.514 1.00 0.00 C ATOM 366 CD GLN A 26 3.501 12.035 -0.954 1.00 0.00 C ATOM 367 OE1 GLN A 26 4.555 12.588 -1.197 1.00 0.00 O ATOM 368 NE2 GLN A 26 2.382 12.694 -1.068 1.00 0.00 N ATOM 0 H GLN A 26 1.000 8.901 -2.677 1.00 0.00 H new ATOM 0 HA GLN A 26 2.776 8.067 -0.392 1.00 0.00 H new ATOM 0 HB2 GLN A 26 1.343 10.704 -0.881 1.00 0.00 H new ATOM 0 HB3 GLN A 26 1.748 10.148 0.731 1.00 0.00 H new ATOM 0 HG2 GLN A 26 4.037 10.450 0.416 1.00 0.00 H new ATOM 0 HG3 GLN A 26 3.981 9.949 -1.262 1.00 0.00 H new ATOM 0 HE21 GLN A 26 1.495 12.233 -0.865 1.00 0.00 H new ATOM 0 HE22 GLN A 26 2.393 13.671 -1.361 1.00 0.00 H new ATOM 377 N TRP A 27 0.612 7.217 0.718 1.00 0.00 N ATOM 378 CA TRP A 27 -0.669 6.574 1.134 1.00 0.00 C ATOM 379 C TRP A 27 -0.785 6.549 2.654 1.00 0.00 C ATOM 380 O TRP A 27 0.170 6.268 3.350 1.00 0.00 O ATOM 381 CB TRP A 27 -0.683 5.138 0.600 1.00 0.00 C ATOM 382 CG TRP A 27 -0.449 5.149 -0.877 1.00 0.00 C ATOM 383 CD1 TRP A 27 0.762 5.228 -1.479 1.00 0.00 C ATOM 384 CD2 TRP A 27 -1.429 5.075 -1.944 1.00 0.00 C ATOM 385 NE1 TRP A 27 0.579 5.216 -2.851 1.00 0.00 N ATOM 386 CE2 TRP A 27 -0.756 5.125 -3.186 1.00 0.00 C ATOM 387 CE3 TRP A 27 -2.824 4.976 -1.949 1.00 0.00 C ATOM 388 CZ2 TRP A 27 -1.452 5.078 -4.394 1.00 0.00 C ATOM 389 CZ3 TRP A 27 -3.530 4.926 -3.155 1.00 0.00 C ATOM 390 CH2 TRP A 27 -2.847 4.980 -4.379 1.00 0.00 C ATOM 0 H TRP A 27 1.425 7.001 1.296 1.00 0.00 H new ATOM 0 HA TRP A 27 -1.508 7.142 0.733 1.00 0.00 H new ATOM 0 HB2 TRP A 27 0.087 4.547 1.096 1.00 0.00 H new ATOM 0 HB3 TRP A 27 -1.640 4.666 0.823 1.00 0.00 H new ATOM 0 HD1 TRP A 27 1.714 5.290 -0.972 1.00 0.00 H new ATOM 0 HE1 TRP A 27 1.338 5.268 -3.531 1.00 0.00 H new ATOM 0 HE3 TRP A 27 -3.361 4.938 -1.013 1.00 0.00 H new ATOM 0 HZ2 TRP A 27 -0.918 5.117 -5.332 1.00 0.00 H new ATOM 0 HZ3 TRP A 27 -4.607 4.845 -3.144 1.00 0.00 H new ATOM 0 HH2 TRP A 27 -3.397 4.946 -5.308 1.00 0.00 H new ATOM 401 N HIS A 28 -1.954 6.804 3.187 1.00 0.00 N ATOM 402 CA HIS A 28 -2.091 6.741 4.667 1.00 0.00 C ATOM 403 C HIS A 28 -1.629 5.347 5.086 1.00 0.00 C ATOM 404 O HIS A 28 -1.954 4.365 4.450 1.00 0.00 O ATOM 405 CB HIS A 28 -3.552 6.931 5.089 1.00 0.00 C ATOM 406 CG HIS A 28 -3.907 8.395 5.108 1.00 0.00 C ATOM 407 ND1 HIS A 28 -4.855 8.934 4.255 1.00 0.00 N ATOM 408 CD2 HIS A 28 -3.468 9.435 5.886 1.00 0.00 C ATOM 409 CE1 HIS A 28 -4.955 10.246 4.533 1.00 0.00 C ATOM 410 NE2 HIS A 28 -4.130 10.604 5.522 1.00 0.00 N ATOM 0 H HIS A 28 -2.800 7.048 2.672 1.00 0.00 H new ATOM 0 HA HIS A 28 -1.502 7.529 5.137 1.00 0.00 H new ATOM 0 HB2 HIS A 28 -4.208 6.400 4.399 1.00 0.00 H new ATOM 0 HB3 HIS A 28 -3.711 6.499 6.077 1.00 0.00 H new ATOM 0 HD2 HIS A 28 -2.722 9.359 6.663 1.00 0.00 H new ATOM 0 HE1 HIS A 28 -5.619 10.926 4.021 1.00 0.00 H new ATOM 0 HE2 HIS A 28 -4.011 11.534 5.924 1.00 0.00 H new ATOM 418 N VAL A 29 -0.872 5.240 6.131 1.00 0.00 N ATOM 419 CA VAL A 29 -0.397 3.899 6.553 1.00 0.00 C ATOM 420 C VAL A 29 -1.603 2.985 6.766 1.00 0.00 C ATOM 421 O VAL A 29 -1.484 1.776 6.785 1.00 0.00 O ATOM 422 CB VAL A 29 0.388 4.037 7.856 1.00 0.00 C ATOM 423 CG1 VAL A 29 0.456 2.685 8.568 1.00 0.00 C ATOM 424 CG2 VAL A 29 1.801 4.517 7.536 1.00 0.00 C ATOM 0 H VAL A 29 -0.561 6.019 6.712 1.00 0.00 H new ATOM 0 HA VAL A 29 0.248 3.470 5.786 1.00 0.00 H new ATOM 0 HB VAL A 29 -0.109 4.756 8.507 1.00 0.00 H new ATOM 0 HG11 VAL A 29 1.017 2.791 9.496 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -0.554 2.340 8.791 1.00 0.00 H new ATOM 0 HG13 VAL A 29 0.953 1.959 7.924 1.00 0.00 H new ATOM 0 HG21 VAL A 29 2.369 4.618 8.461 1.00 0.00 H new ATOM 0 HG22 VAL A 29 2.293 3.793 6.886 1.00 0.00 H new ATOM 0 HG23 VAL A 29 1.752 5.483 7.033 1.00 0.00 H new ATOM 434 N GLU A 30 -2.760 3.557 6.940 1.00 0.00 N ATOM 435 CA GLU A 30 -3.974 2.726 7.168 1.00 0.00 C ATOM 436 C GLU A 30 -4.704 2.466 5.843 1.00 0.00 C ATOM 437 O GLU A 30 -5.400 1.481 5.698 1.00 0.00 O ATOM 438 CB GLU A 30 -4.927 3.447 8.138 1.00 0.00 C ATOM 439 CG GLU A 30 -4.201 4.608 8.822 1.00 0.00 C ATOM 440 CD GLU A 30 -2.970 4.078 9.562 1.00 0.00 C ATOM 441 OE1 GLU A 30 -2.767 2.875 9.545 1.00 0.00 O ATOM 442 OE2 GLU A 30 -2.254 4.884 10.131 1.00 0.00 O ATOM 0 H GLU A 30 -2.918 4.565 6.934 1.00 0.00 H new ATOM 0 HA GLU A 30 -3.664 1.773 7.597 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -5.796 3.820 7.596 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -5.295 2.746 8.887 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -3.902 5.350 8.082 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -4.871 5.108 9.521 1.00 0.00 H new ATOM 449 N HIS A 31 -4.573 3.344 4.884 1.00 0.00 N ATOM 450 CA HIS A 31 -5.288 3.139 3.588 1.00 0.00 C ATOM 451 C HIS A 31 -4.389 2.421 2.584 1.00 0.00 C ATOM 452 O HIS A 31 -4.836 2.017 1.529 1.00 0.00 O ATOM 453 CB HIS A 31 -5.728 4.494 3.025 1.00 0.00 C ATOM 454 CG HIS A 31 -6.574 5.194 4.054 1.00 0.00 C ATOM 455 ND1 HIS A 31 -6.739 6.576 4.089 1.00 0.00 N ATOM 456 CD2 HIS A 31 -7.323 4.705 5.098 1.00 0.00 C ATOM 457 CE1 HIS A 31 -7.557 6.856 5.121 1.00 0.00 C ATOM 458 NE2 HIS A 31 -7.942 5.755 5.766 1.00 0.00 N ATOM 0 H HIS A 31 -4.006 4.190 4.940 1.00 0.00 H new ATOM 0 HA HIS A 31 -6.166 2.518 3.766 1.00 0.00 H new ATOM 0 HB2 HIS A 31 -4.857 5.100 2.776 1.00 0.00 H new ATOM 0 HB3 HIS A 31 -6.293 4.354 2.103 1.00 0.00 H new ATOM 0 HD2 HIS A 31 -7.416 3.661 5.360 1.00 0.00 H new ATOM 0 HE1 HIS A 31 -7.865 7.855 5.394 1.00 0.00 H new ATOM 0 HE2 HIS A 31 -8.559 5.696 6.576 1.00 0.00 H new ATOM 466 N PHE A 32 -3.142 2.218 2.900 1.00 0.00 N ATOM 467 CA PHE A 32 -2.276 1.480 1.943 1.00 0.00 C ATOM 468 C PHE A 32 -2.543 0.001 2.157 1.00 0.00 C ATOM 469 O PHE A 32 -2.156 -0.573 3.155 1.00 0.00 O ATOM 470 CB PHE A 32 -0.796 1.780 2.181 1.00 0.00 C ATOM 471 CG PHE A 32 -0.014 1.280 0.987 1.00 0.00 C ATOM 472 CD1 PHE A 32 -0.266 1.810 -0.285 1.00 0.00 C ATOM 473 CD2 PHE A 32 0.946 0.273 1.145 1.00 0.00 C ATOM 474 CE1 PHE A 32 0.440 1.337 -1.395 1.00 0.00 C ATOM 475 CE2 PHE A 32 1.648 -0.203 0.032 1.00 0.00 C ATOM 476 CZ PHE A 32 1.396 0.329 -1.237 1.00 0.00 C ATOM 0 H PHE A 32 -2.692 2.524 3.762 1.00 0.00 H new ATOM 0 HA PHE A 32 -2.504 1.786 0.922 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -0.642 2.851 2.315 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -0.451 1.292 3.093 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -1.007 2.586 -0.408 1.00 0.00 H new ATOM 0 HD2 PHE A 32 1.144 -0.136 2.125 1.00 0.00 H new ATOM 0 HE1 PHE A 32 0.247 1.750 -2.374 1.00 0.00 H new ATOM 0 HE2 PHE A 32 2.386 -0.982 0.153 1.00 0.00 H new ATOM 0 HZ PHE A 32 1.940 -0.039 -2.095 1.00 0.00 H new ATOM 486 N VAL A 33 -3.251 -0.608 1.254 1.00 0.00 N ATOM 487 CA VAL A 33 -3.606 -2.040 1.427 1.00 0.00 C ATOM 488 C VAL A 33 -3.362 -2.827 0.148 1.00 0.00 C ATOM 489 O VAL A 33 -3.025 -2.292 -0.889 1.00 0.00 O ATOM 490 CB VAL A 33 -5.096 -2.135 1.755 1.00 0.00 C ATOM 491 CG1 VAL A 33 -5.425 -1.323 3.017 1.00 0.00 C ATOM 492 CG2 VAL A 33 -5.900 -1.592 0.568 1.00 0.00 C ATOM 0 H VAL A 33 -3.601 -0.175 0.400 1.00 0.00 H new ATOM 0 HA VAL A 33 -2.988 -2.453 2.224 1.00 0.00 H new ATOM 0 HB VAL A 33 -5.356 -3.177 1.940 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -6.490 -1.403 3.234 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -4.853 -1.712 3.859 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -5.166 -0.277 2.854 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -6.965 -1.655 0.791 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -5.627 -0.552 0.389 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -5.680 -2.183 -0.321 1.00 0.00 H new ATOM 502 N CYS A 34 -3.566 -4.104 0.234 1.00 0.00 N ATOM 503 CA CYS A 34 -3.397 -4.989 -0.944 1.00 0.00 C ATOM 504 C CYS A 34 -4.409 -4.599 -2.021 1.00 0.00 C ATOM 505 O CYS A 34 -5.491 -4.133 -1.728 1.00 0.00 O ATOM 506 CB CYS A 34 -3.648 -6.425 -0.500 1.00 0.00 C ATOM 507 SG CYS A 34 -4.063 -7.459 -1.926 1.00 0.00 S ATOM 0 H CYS A 34 -3.849 -4.583 1.089 1.00 0.00 H new ATOM 0 HA CYS A 34 -2.391 -4.892 -1.352 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -2.762 -6.819 -0.002 1.00 0.00 H new ATOM 0 HB3 CYS A 34 -4.460 -6.452 0.226 1.00 0.00 H new ATOM 512 N ALA A 35 -4.066 -4.784 -3.264 1.00 0.00 N ATOM 513 CA ALA A 35 -5.005 -4.422 -4.357 1.00 0.00 C ATOM 514 C ALA A 35 -5.853 -5.643 -4.738 1.00 0.00 C ATOM 515 O ALA A 35 -6.289 -5.779 -5.864 1.00 0.00 O ATOM 516 CB ALA A 35 -4.190 -3.956 -5.560 1.00 0.00 C ATOM 0 H ALA A 35 -3.173 -5.171 -3.570 1.00 0.00 H new ATOM 0 HA ALA A 35 -5.672 -3.624 -4.030 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -4.864 -3.686 -6.373 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -3.592 -3.088 -5.280 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -3.531 -4.760 -5.887 1.00 0.00 H new ATOM 522 N LYS A 36 -6.090 -6.528 -3.803 1.00 0.00 N ATOM 523 CA LYS A 36 -6.913 -7.745 -4.101 1.00 0.00 C ATOM 524 C LYS A 36 -7.869 -8.030 -2.939 1.00 0.00 C ATOM 525 O LYS A 36 -8.946 -8.560 -3.128 1.00 0.00 O ATOM 526 CB LYS A 36 -5.992 -8.958 -4.288 1.00 0.00 C ATOM 527 CG LYS A 36 -6.819 -10.208 -4.608 1.00 0.00 C ATOM 528 CD LYS A 36 -7.575 -10.011 -5.927 1.00 0.00 C ATOM 529 CE LYS A 36 -7.900 -11.374 -6.542 1.00 0.00 C ATOM 530 NZ LYS A 36 -8.445 -12.277 -5.488 1.00 0.00 N ATOM 0 H LYS A 36 -5.749 -6.462 -2.844 1.00 0.00 H new ATOM 0 HA LYS A 36 -7.485 -7.566 -5.011 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -5.284 -8.765 -5.094 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -5.407 -9.122 -3.383 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -6.166 -11.078 -4.680 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -7.524 -10.404 -3.801 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -8.494 -9.452 -5.751 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -6.972 -9.423 -6.619 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -8.625 -11.258 -7.347 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -7.003 -11.810 -6.981 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -9.013 -13.026 -5.932 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -7.660 -12.706 -4.959 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -9.043 -11.729 -4.837 1.00 0.00 H new ATOM 544 N CYS A 37 -7.473 -7.708 -1.736 1.00 0.00 N ATOM 545 CA CYS A 37 -8.350 -7.989 -0.555 1.00 0.00 C ATOM 546 C CYS A 37 -8.501 -6.734 0.302 1.00 0.00 C ATOM 547 O CYS A 37 -9.404 -6.631 1.107 1.00 0.00 O ATOM 548 CB CYS A 37 -7.699 -9.087 0.281 1.00 0.00 C ATOM 549 SG CYS A 37 -6.096 -8.500 0.864 1.00 0.00 S ATOM 0 H CYS A 37 -6.582 -7.263 -1.517 1.00 0.00 H new ATOM 0 HA CYS A 37 -9.335 -8.302 -0.901 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -8.336 -9.346 1.126 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -7.576 -9.992 -0.314 1.00 0.00 H new ATOM 554 N GLU A 38 -7.623 -5.784 0.144 1.00 0.00 N ATOM 555 CA GLU A 38 -7.707 -4.539 0.947 1.00 0.00 C ATOM 556 C GLU A 38 -7.235 -4.804 2.376 1.00 0.00 C ATOM 557 O GLU A 38 -7.862 -4.393 3.330 1.00 0.00 O ATOM 558 CB GLU A 38 -9.145 -4.002 0.962 1.00 0.00 C ATOM 559 CG GLU A 38 -9.786 -4.181 -0.422 1.00 0.00 C ATOM 560 CD GLU A 38 -10.779 -3.045 -0.682 1.00 0.00 C ATOM 561 OE1 GLU A 38 -10.341 -1.991 -1.116 1.00 0.00 O ATOM 562 OE2 GLU A 38 -11.957 -3.247 -0.441 1.00 0.00 O ATOM 0 H GLU A 38 -6.844 -5.820 -0.514 1.00 0.00 H new ATOM 0 HA GLU A 38 -7.061 -3.789 0.490 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -9.731 -4.529 1.715 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -9.146 -2.948 1.239 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -9.015 -4.186 -1.192 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -10.297 -5.143 -0.475 1.00 0.00 H new ATOM 569 N LYS A 39 -6.115 -5.462 2.526 1.00 0.00 N ATOM 570 CA LYS A 39 -5.572 -5.722 3.890 1.00 0.00 C ATOM 571 C LYS A 39 -4.450 -4.698 4.144 1.00 0.00 C ATOM 572 O LYS A 39 -3.403 -4.786 3.534 1.00 0.00 O ATOM 573 CB LYS A 39 -4.999 -7.147 3.953 1.00 0.00 C ATOM 574 CG LYS A 39 -5.100 -7.697 5.390 1.00 0.00 C ATOM 575 CD LYS A 39 -3.722 -8.151 5.883 1.00 0.00 C ATOM 576 CE LYS A 39 -3.323 -9.446 5.172 1.00 0.00 C ATOM 577 NZ LYS A 39 -4.061 -10.591 5.778 1.00 0.00 N ATOM 0 H LYS A 39 -5.552 -5.831 1.760 1.00 0.00 H new ATOM 0 HA LYS A 39 -6.355 -5.629 4.643 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -5.544 -7.797 3.268 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -3.958 -7.143 3.629 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -5.496 -6.929 6.054 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -5.798 -8.534 5.418 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -2.982 -7.375 5.689 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -3.744 -8.308 6.961 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -3.550 -9.375 4.108 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -2.248 -9.605 5.258 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -3.628 -11.485 5.470 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -4.016 -10.523 6.815 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -5.055 -10.564 5.472 1.00 0.00 H new ATOM 591 N PRO A 40 -4.703 -3.729 4.997 1.00 0.00 N ATOM 592 CA PRO A 40 -3.717 -2.666 5.276 1.00 0.00 C ATOM 593 C PRO A 40 -2.485 -3.199 5.994 1.00 0.00 C ATOM 594 O PRO A 40 -2.567 -3.979 6.922 1.00 0.00 O ATOM 595 CB PRO A 40 -4.452 -1.674 6.181 1.00 0.00 C ATOM 596 CG PRO A 40 -5.810 -2.300 6.556 1.00 0.00 C ATOM 597 CD PRO A 40 -5.966 -3.603 5.751 1.00 0.00 C ATOM 0 HA PRO A 40 -3.358 -2.218 4.349 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -3.866 -1.466 7.076 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -4.598 -0.723 5.668 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -5.854 -2.504 7.626 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -6.624 -1.611 6.329 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -6.122 -4.459 6.408 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -6.824 -3.555 5.081 1.00 0.00 H new ATOM 605 N PHE A 41 -1.341 -2.737 5.583 1.00 0.00 N ATOM 606 CA PHE A 41 -0.075 -3.161 6.251 1.00 0.00 C ATOM 607 C PHE A 41 0.310 -2.111 7.292 1.00 0.00 C ATOM 608 O PHE A 41 1.376 -1.529 7.233 1.00 0.00 O ATOM 609 CB PHE A 41 1.061 -3.285 5.235 1.00 0.00 C ATOM 610 CG PHE A 41 0.514 -3.725 3.906 1.00 0.00 C ATOM 611 CD1 PHE A 41 -0.072 -2.792 3.046 1.00 0.00 C ATOM 612 CD2 PHE A 41 0.612 -5.066 3.526 1.00 0.00 C ATOM 613 CE1 PHE A 41 -0.563 -3.203 1.802 1.00 0.00 C ATOM 614 CE2 PHE A 41 0.121 -5.477 2.286 1.00 0.00 C ATOM 615 CZ PHE A 41 -0.467 -4.548 1.422 1.00 0.00 C ATOM 0 H PHE A 41 -1.224 -2.081 4.811 1.00 0.00 H new ATOM 0 HA PHE A 41 -0.235 -4.132 6.720 1.00 0.00 H new ATOM 0 HB2 PHE A 41 1.572 -2.328 5.129 1.00 0.00 H new ATOM 0 HB3 PHE A 41 1.800 -4.003 5.589 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -0.146 -1.756 3.341 1.00 0.00 H new ATOM 0 HD2 PHE A 41 1.068 -5.784 4.192 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -1.016 -2.484 1.135 1.00 0.00 H new ATOM 0 HE2 PHE A 41 0.195 -6.514 1.993 1.00 0.00 H new ATOM 0 HZ PHE A 41 -0.847 -4.867 0.463 1.00 0.00 H new ATOM 625 N LEU A 42 -0.546 -1.856 8.238 1.00 0.00 N ATOM 626 CA LEU A 42 -0.227 -0.834 9.279 1.00 0.00 C ATOM 627 C LEU A 42 1.252 -0.945 9.656 1.00 0.00 C ATOM 628 O LEU A 42 1.999 0.010 9.573 1.00 0.00 O ATOM 629 CB LEU A 42 -1.088 -1.091 10.518 1.00 0.00 C ATOM 630 CG LEU A 42 -2.429 -0.368 10.364 1.00 0.00 C ATOM 631 CD1 LEU A 42 -3.103 -0.848 9.090 1.00 0.00 C ATOM 632 CD2 LEU A 42 -3.334 -0.678 11.558 1.00 0.00 C ATOM 0 H LEU A 42 -1.454 -2.309 8.339 1.00 0.00 H new ATOM 0 HA LEU A 42 -0.432 0.164 8.892 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -1.252 -2.161 10.645 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -0.573 -0.739 11.412 1.00 0.00 H new ATOM 0 HG LEU A 42 -2.256 0.707 10.318 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -4.060 -0.339 8.970 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -2.465 -0.626 8.235 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -3.269 -1.924 9.149 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -4.285 -0.159 11.438 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -3.511 -1.752 11.611 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -2.852 -0.344 12.477 1.00 0.00 H new ATOM 644 N GLY A 43 1.673 -2.108 10.059 1.00 0.00 N ATOM 645 CA GLY A 43 3.104 -2.307 10.433 1.00 0.00 C ATOM 646 C GLY A 43 3.605 -3.616 9.824 1.00 0.00 C ATOM 647 O GLY A 43 4.450 -4.287 10.383 1.00 0.00 O ATOM 0 H GLY A 43 1.086 -2.937 10.147 1.00 0.00 H new ATOM 0 HA2 GLY A 43 3.706 -1.472 10.075 1.00 0.00 H new ATOM 0 HA3 GLY A 43 3.209 -2.333 11.518 1.00 0.00 H new ATOM 651 N HIS A 44 3.082 -3.989 8.686 1.00 0.00 N ATOM 652 CA HIS A 44 3.516 -5.266 8.037 1.00 0.00 C ATOM 653 C HIS A 44 4.238 -4.971 6.717 1.00 0.00 C ATOM 654 O HIS A 44 4.456 -3.833 6.351 1.00 0.00 O ATOM 655 CB HIS A 44 2.285 -6.137 7.757 1.00 0.00 C ATOM 656 CG HIS A 44 1.924 -6.920 8.990 1.00 0.00 C ATOM 657 ND1 HIS A 44 1.434 -8.215 8.926 1.00 0.00 N ATOM 658 CD2 HIS A 44 1.974 -6.605 10.326 1.00 0.00 C ATOM 659 CE1 HIS A 44 1.212 -8.628 10.187 1.00 0.00 C ATOM 660 NE2 HIS A 44 1.524 -7.685 11.079 1.00 0.00 N ATOM 0 H HIS A 44 2.371 -3.465 8.175 1.00 0.00 H new ATOM 0 HA HIS A 44 4.198 -5.790 8.706 1.00 0.00 H new ATOM 0 HB2 HIS A 44 1.446 -5.510 7.454 1.00 0.00 H new ATOM 0 HB3 HIS A 44 2.490 -6.817 6.930 1.00 0.00 H new ATOM 0 HD2 HIS A 44 2.311 -5.662 10.731 1.00 0.00 H new ATOM 0 HE1 HIS A 44 0.828 -9.604 10.446 1.00 0.00 H new ATOM 0 HE2 HIS A 44 1.449 -7.744 12.095 1.00 0.00 H new ATOM 668 N ARG A 45 4.608 -6.003 6.003 1.00 0.00 N ATOM 669 CA ARG A 45 5.319 -5.822 4.702 1.00 0.00 C ATOM 670 C ARG A 45 4.308 -5.974 3.558 1.00 0.00 C ATOM 671 O ARG A 45 3.488 -6.869 3.565 1.00 0.00 O ATOM 672 CB ARG A 45 6.424 -6.896 4.599 1.00 0.00 C ATOM 673 CG ARG A 45 6.654 -7.337 3.145 1.00 0.00 C ATOM 674 CD ARG A 45 7.274 -6.196 2.341 1.00 0.00 C ATOM 675 NE ARG A 45 8.664 -5.950 2.818 1.00 0.00 N ATOM 676 CZ ARG A 45 9.486 -5.240 2.093 1.00 0.00 C ATOM 677 NH1 ARG A 45 9.089 -4.747 0.952 1.00 0.00 N ATOM 678 NH2 ARG A 45 10.703 -5.025 2.509 1.00 0.00 N ATOM 0 H ARG A 45 4.446 -6.974 6.269 1.00 0.00 H new ATOM 0 HA ARG A 45 5.772 -4.833 4.639 1.00 0.00 H new ATOM 0 HB2 ARG A 45 7.353 -6.503 5.011 1.00 0.00 H new ATOM 0 HB3 ARG A 45 6.148 -7.761 5.202 1.00 0.00 H new ATOM 0 HG2 ARG A 45 7.310 -8.207 3.120 1.00 0.00 H new ATOM 0 HG3 ARG A 45 5.708 -7.638 2.694 1.00 0.00 H new ATOM 0 HD2 ARG A 45 7.281 -6.446 1.280 1.00 0.00 H new ATOM 0 HD3 ARG A 45 6.675 -5.292 2.451 1.00 0.00 H new ATOM 0 HE ARG A 45 8.973 -6.336 3.710 1.00 0.00 H new ATOM 0 HH11 ARG A 45 8.137 -4.916 0.627 1.00 0.00 H new ATOM 0 HH12 ARG A 45 9.731 -4.192 0.385 1.00 0.00 H new ATOM 0 HH21 ARG A 45 11.013 -5.411 3.401 1.00 0.00 H new ATOM 0 HH22 ARG A 45 11.345 -4.470 1.943 1.00 0.00 H new ATOM 692 N HIS A 46 4.361 -5.110 2.574 1.00 0.00 N ATOM 693 CA HIS A 46 3.402 -5.216 1.432 1.00 0.00 C ATOM 694 C HIS A 46 4.134 -5.699 0.185 1.00 0.00 C ATOM 695 O HIS A 46 5.341 -5.836 0.165 1.00 0.00 O ATOM 696 CB HIS A 46 2.782 -3.854 1.132 1.00 0.00 C ATOM 697 CG HIS A 46 3.847 -2.796 1.190 1.00 0.00 C ATOM 698 ND1 HIS A 46 4.206 -2.169 2.373 1.00 0.00 N ATOM 699 CD2 HIS A 46 4.644 -2.246 0.216 1.00 0.00 C ATOM 700 CE1 HIS A 46 5.180 -1.285 2.083 1.00 0.00 C ATOM 701 NE2 HIS A 46 5.485 -1.292 0.782 1.00 0.00 N ATOM 0 H HIS A 46 5.025 -4.338 2.513 1.00 0.00 H new ATOM 0 HA HIS A 46 2.619 -5.923 1.706 1.00 0.00 H new ATOM 0 HB2 HIS A 46 2.317 -3.863 0.146 1.00 0.00 H new ATOM 0 HB3 HIS A 46 1.995 -3.633 1.854 1.00 0.00 H new ATOM 0 HD2 HIS A 46 4.622 -2.513 -0.830 1.00 0.00 H new ATOM 0 HE1 HIS A 46 5.657 -0.648 2.813 1.00 0.00 H new ATOM 0 HE2 HIS A 46 6.184 -0.721 0.306 1.00 0.00 H new ATOM 709 N TYR A 47 3.394 -5.968 -0.852 1.00 0.00 N ATOM 710 CA TYR A 47 4.003 -6.462 -2.115 1.00 0.00 C ATOM 711 C TYR A 47 3.389 -5.695 -3.295 1.00 0.00 C ATOM 712 O TYR A 47 2.218 -5.370 -3.286 1.00 0.00 O ATOM 713 CB TYR A 47 3.715 -7.957 -2.199 1.00 0.00 C ATOM 714 CG TYR A 47 3.991 -8.558 -0.837 1.00 0.00 C ATOM 715 CD1 TYR A 47 3.113 -8.309 0.231 1.00 0.00 C ATOM 716 CD2 TYR A 47 5.137 -9.332 -0.625 1.00 0.00 C ATOM 717 CE1 TYR A 47 3.381 -8.832 1.497 1.00 0.00 C ATOM 718 CE2 TYR A 47 5.405 -9.847 0.651 1.00 0.00 C ATOM 719 CZ TYR A 47 4.528 -9.597 1.707 1.00 0.00 C ATOM 720 OH TYR A 47 4.802 -10.098 2.965 1.00 0.00 O ATOM 0 H TYR A 47 2.380 -5.865 -0.878 1.00 0.00 H new ATOM 0 HA TYR A 47 5.081 -6.302 -2.143 1.00 0.00 H new ATOM 0 HB2 TYR A 47 2.679 -8.131 -2.491 1.00 0.00 H new ATOM 0 HB3 TYR A 47 4.342 -8.425 -2.957 1.00 0.00 H new ATOM 0 HD1 TYR A 47 2.228 -7.711 0.072 1.00 0.00 H new ATOM 0 HD2 TYR A 47 5.814 -9.532 -1.443 1.00 0.00 H new ATOM 0 HE1 TYR A 47 2.700 -8.644 2.314 1.00 0.00 H new ATOM 0 HE2 TYR A 47 6.293 -10.439 0.817 1.00 0.00 H new ATOM 0 HH TYR A 47 4.038 -9.934 3.556 1.00 0.00 H new ATOM 730 N GLU A 48 4.179 -5.362 -4.289 1.00 0.00 N ATOM 731 CA GLU A 48 3.647 -4.564 -5.443 1.00 0.00 C ATOM 732 C GLU A 48 3.581 -5.396 -6.727 1.00 0.00 C ATOM 733 O GLU A 48 4.353 -6.309 -6.941 1.00 0.00 O ATOM 734 CB GLU A 48 4.570 -3.364 -5.681 1.00 0.00 C ATOM 735 CG GLU A 48 4.241 -2.257 -4.677 1.00 0.00 C ATOM 736 CD GLU A 48 5.407 -1.268 -4.606 1.00 0.00 C ATOM 737 OE1 GLU A 48 6.302 -1.377 -5.428 1.00 0.00 O ATOM 738 OE2 GLU A 48 5.384 -0.418 -3.731 1.00 0.00 O ATOM 0 H GLU A 48 5.167 -5.607 -4.352 1.00 0.00 H new ATOM 0 HA GLU A 48 2.636 -4.241 -5.194 1.00 0.00 H new ATOM 0 HB2 GLU A 48 5.612 -3.667 -5.575 1.00 0.00 H new ATOM 0 HB3 GLU A 48 4.447 -2.994 -6.699 1.00 0.00 H new ATOM 0 HG2 GLU A 48 3.329 -1.740 -4.976 1.00 0.00 H new ATOM 0 HG3 GLU A 48 4.055 -2.688 -3.693 1.00 0.00 H new ATOM 745 N ARG A 49 2.658 -5.054 -7.589 1.00 0.00 N ATOM 746 CA ARG A 49 2.515 -5.782 -8.886 1.00 0.00 C ATOM 747 C ARG A 49 1.831 -4.877 -9.917 1.00 0.00 C ATOM 748 O ARG A 49 0.780 -4.319 -9.670 1.00 0.00 O ATOM 749 CB ARG A 49 1.660 -7.039 -8.678 1.00 0.00 C ATOM 750 CG ARG A 49 0.975 -7.453 -9.989 1.00 0.00 C ATOM 751 CD ARG A 49 1.945 -8.262 -10.838 1.00 0.00 C ATOM 752 NE ARG A 49 3.105 -7.417 -11.227 1.00 0.00 N ATOM 753 CZ ARG A 49 4.198 -7.973 -11.671 1.00 0.00 C ATOM 754 NH1 ARG A 49 4.277 -9.272 -11.766 1.00 0.00 N ATOM 755 NH2 ARG A 49 5.214 -7.230 -12.019 1.00 0.00 N ATOM 0 H ARG A 49 1.991 -4.295 -7.448 1.00 0.00 H new ATOM 0 HA ARG A 49 3.504 -6.064 -9.247 1.00 0.00 H new ATOM 0 HB2 ARG A 49 2.286 -7.855 -8.316 1.00 0.00 H new ATOM 0 HB3 ARG A 49 0.907 -6.850 -7.912 1.00 0.00 H new ATOM 0 HG2 ARG A 49 0.084 -8.043 -9.775 1.00 0.00 H new ATOM 0 HG3 ARG A 49 0.648 -6.568 -10.535 1.00 0.00 H new ATOM 0 HD2 ARG A 49 2.290 -9.133 -10.281 1.00 0.00 H new ATOM 0 HD3 ARG A 49 1.439 -8.633 -11.729 1.00 0.00 H new ATOM 0 HE ARG A 49 3.046 -6.402 -11.147 1.00 0.00 H new ATOM 0 HH11 ARG A 49 3.484 -9.852 -11.493 1.00 0.00 H new ATOM 0 HH12 ARG A 49 5.132 -9.707 -12.113 1.00 0.00 H new ATOM 0 HH21 ARG A 49 5.153 -6.215 -11.944 1.00 0.00 H new ATOM 0 HH22 ARG A 49 6.069 -7.665 -12.366 1.00 0.00 H new ATOM 769 N LYS A 50 2.406 -4.753 -11.081 1.00 0.00 N ATOM 770 CA LYS A 50 1.785 -3.921 -12.144 1.00 0.00 C ATOM 771 C LYS A 50 1.498 -2.536 -11.598 1.00 0.00 C ATOM 772 O LYS A 50 0.649 -1.823 -12.095 1.00 0.00 O ATOM 773 CB LYS A 50 0.472 -4.567 -12.604 1.00 0.00 C ATOM 774 CG LYS A 50 0.720 -6.017 -13.057 1.00 0.00 C ATOM 775 CD LYS A 50 0.586 -6.115 -14.579 1.00 0.00 C ATOM 776 CE LYS A 50 0.838 -7.557 -15.022 1.00 0.00 C ATOM 777 NZ LYS A 50 -0.279 -8.425 -14.554 1.00 0.00 N ATOM 0 H LYS A 50 3.287 -5.197 -11.341 1.00 0.00 H new ATOM 0 HA LYS A 50 2.469 -3.847 -12.990 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -0.253 -4.552 -11.790 1.00 0.00 H new ATOM 0 HB3 LYS A 50 0.043 -3.991 -13.424 1.00 0.00 H new ATOM 0 HG2 LYS A 50 1.715 -6.339 -12.749 1.00 0.00 H new ATOM 0 HG3 LYS A 50 0.006 -6.685 -12.576 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -0.410 -5.797 -14.888 1.00 0.00 H new ATOM 0 HD3 LYS A 50 1.298 -5.446 -15.061 1.00 0.00 H new ATOM 0 HE2 LYS A 50 0.920 -7.606 -16.108 1.00 0.00 H new ATOM 0 HE3 LYS A 50 1.784 -7.913 -14.615 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 0.102 -9.195 -13.968 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -0.946 -7.859 -13.991 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -0.774 -8.827 -15.376 1.00 0.00 H new ATOM 791 N GLY A 51 2.192 -2.146 -10.577 1.00 0.00 N ATOM 792 CA GLY A 51 1.945 -0.803 -10.006 1.00 0.00 C ATOM 793 C GLY A 51 0.742 -0.879 -9.077 1.00 0.00 C ATOM 794 O GLY A 51 -0.008 0.063 -8.926 1.00 0.00 O ATOM 0 H GLY A 51 2.916 -2.695 -10.114 1.00 0.00 H new ATOM 0 HA2 GLY A 51 2.823 -0.458 -9.459 1.00 0.00 H new ATOM 0 HA3 GLY A 51 1.762 -0.082 -10.803 1.00 0.00 H new ATOM 798 N LEU A 52 0.560 -2.007 -8.458 1.00 0.00 N ATOM 799 CA LEU A 52 -0.582 -2.181 -7.522 1.00 0.00 C ATOM 800 C LEU A 52 -0.109 -2.991 -6.324 1.00 0.00 C ATOM 801 O LEU A 52 0.678 -3.909 -6.451 1.00 0.00 O ATOM 802 CB LEU A 52 -1.724 -2.920 -8.218 1.00 0.00 C ATOM 803 CG LEU A 52 -2.548 -1.946 -9.058 1.00 0.00 C ATOM 804 CD1 LEU A 52 -3.647 -2.729 -9.779 1.00 0.00 C ATOM 805 CD2 LEU A 52 -3.175 -0.879 -8.146 1.00 0.00 C ATOM 0 H LEU A 52 1.160 -2.826 -8.561 1.00 0.00 H new ATOM 0 HA LEU A 52 -0.942 -1.204 -7.199 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -1.322 -3.710 -8.853 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -2.361 -3.401 -7.476 1.00 0.00 H new ATOM 0 HG LEU A 52 -1.909 -1.450 -9.789 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -4.244 -2.046 -10.383 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -3.194 -3.482 -10.424 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -4.287 -3.218 -9.045 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -3.762 -0.185 -8.748 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -3.822 -1.361 -7.413 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -2.386 -0.333 -7.629 1.00 0.00 H new ATOM 817 N ALA A 53 -0.568 -2.650 -5.159 1.00 0.00 N ATOM 818 CA ALA A 53 -0.125 -3.395 -3.952 1.00 0.00 C ATOM 819 C ALA A 53 -0.843 -4.732 -3.854 1.00 0.00 C ATOM 820 O ALA A 53 -1.943 -4.904 -4.340 1.00 0.00 O ATOM 821 CB ALA A 53 -0.447 -2.584 -2.701 1.00 0.00 C ATOM 0 H ALA A 53 -1.228 -1.891 -4.988 1.00 0.00 H new ATOM 0 HA ALA A 53 0.949 -3.563 -4.031 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -0.121 -3.133 -1.818 1.00 0.00 H new ATOM 0 HB2 ALA A 53 0.071 -1.626 -2.745 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -1.522 -2.412 -2.645 1.00 0.00 H new ATOM 827 N TYR A 54 -0.229 -5.677 -3.204 1.00 0.00 N ATOM 828 CA TYR A 54 -0.865 -7.003 -3.036 1.00 0.00 C ATOM 829 C TYR A 54 -0.304 -7.656 -1.788 1.00 0.00 C ATOM 830 O TYR A 54 0.871 -7.568 -1.522 1.00 0.00 O ATOM 831 CB TYR A 54 -0.544 -7.881 -4.233 1.00 0.00 C ATOM 832 CG TYR A 54 -1.392 -7.467 -5.393 1.00 0.00 C ATOM 833 CD1 TYR A 54 -2.721 -7.885 -5.484 1.00 0.00 C ATOM 834 CD2 TYR A 54 -0.837 -6.676 -6.386 1.00 0.00 C ATOM 835 CE1 TYR A 54 -3.495 -7.493 -6.588 1.00 0.00 C ATOM 836 CE2 TYR A 54 -1.594 -6.292 -7.483 1.00 0.00 C ATOM 837 CZ TYR A 54 -2.929 -6.695 -7.588 1.00 0.00 C ATOM 838 OH TYR A 54 -3.683 -6.312 -8.679 1.00 0.00 O ATOM 0 H TYR A 54 0.694 -5.584 -2.780 1.00 0.00 H new ATOM 0 HA TYR A 54 -1.945 -6.882 -2.952 1.00 0.00 H new ATOM 0 HB2 TYR A 54 0.512 -7.793 -4.490 1.00 0.00 H new ATOM 0 HB3 TYR A 54 -0.727 -8.928 -3.990 1.00 0.00 H new ATOM 0 HD1 TYR A 54 -3.150 -8.505 -4.711 1.00 0.00 H new ATOM 0 HD2 TYR A 54 0.191 -6.356 -6.305 1.00 0.00 H new ATOM 0 HE1 TYR A 54 -4.525 -7.807 -6.665 1.00 0.00 H new ATOM 0 HE2 TYR A 54 -1.152 -5.681 -8.257 1.00 0.00 H new ATOM 0 HH TYR A 54 -3.137 -5.760 -9.277 1.00 0.00 H new ATOM 848 N CYS A 55 -1.111 -8.319 -1.020 1.00 0.00 N ATOM 849 CA CYS A 55 -0.551 -8.968 0.188 1.00 0.00 C ATOM 850 C CYS A 55 0.561 -9.922 -0.253 1.00 0.00 C ATOM 851 O CYS A 55 0.803 -10.103 -1.429 1.00 0.00 O ATOM 852 CB CYS A 55 -1.626 -9.782 0.909 1.00 0.00 C ATOM 853 SG CYS A 55 -2.858 -8.677 1.625 1.00 0.00 S ATOM 0 H CYS A 55 -2.113 -8.439 -1.170 1.00 0.00 H new ATOM 0 HA CYS A 55 -0.172 -8.201 0.864 1.00 0.00 H new ATOM 0 HB2 CYS A 55 -2.104 -10.469 0.210 1.00 0.00 H new ATOM 0 HB3 CYS A 55 -1.171 -10.389 1.692 1.00 0.00 H new ATOM 858 N GLU A 56 1.227 -10.544 0.674 1.00 0.00 N ATOM 859 CA GLU A 56 2.312 -11.502 0.300 1.00 0.00 C ATOM 860 C GLU A 56 1.709 -12.680 -0.473 1.00 0.00 C ATOM 861 O GLU A 56 2.322 -13.234 -1.364 1.00 0.00 O ATOM 862 CB GLU A 56 2.983 -12.045 1.572 1.00 0.00 C ATOM 863 CG GLU A 56 4.409 -12.544 1.256 1.00 0.00 C ATOM 864 CD GLU A 56 4.463 -14.069 1.383 1.00 0.00 C ATOM 865 OE1 GLU A 56 4.462 -14.552 2.503 1.00 0.00 O ATOM 866 OE2 GLU A 56 4.504 -14.728 0.357 1.00 0.00 O ATOM 0 H GLU A 56 1.071 -10.434 1.676 1.00 0.00 H new ATOM 0 HA GLU A 56 3.047 -10.984 -0.317 1.00 0.00 H new ATOM 0 HB2 GLU A 56 3.024 -11.264 2.331 1.00 0.00 H new ATOM 0 HB3 GLU A 56 2.389 -12.860 1.985 1.00 0.00 H new ATOM 0 HG2 GLU A 56 4.695 -12.243 0.248 1.00 0.00 H new ATOM 0 HG3 GLU A 56 5.124 -12.087 1.940 1.00 0.00 H new ATOM 873 N THR A 57 0.522 -13.082 -0.111 1.00 0.00 N ATOM 874 CA THR A 57 -0.124 -14.245 -0.789 1.00 0.00 C ATOM 875 C THR A 57 -0.873 -13.804 -2.041 1.00 0.00 C ATOM 876 O THR A 57 -0.825 -14.462 -3.060 1.00 0.00 O ATOM 877 CB THR A 57 -1.103 -14.913 0.182 1.00 0.00 C ATOM 878 OG1 THR A 57 -0.378 -15.490 1.258 1.00 0.00 O ATOM 879 CG2 THR A 57 -1.887 -16.003 -0.550 1.00 0.00 C ATOM 0 H THR A 57 -0.033 -12.653 0.630 1.00 0.00 H new ATOM 0 HA THR A 57 0.653 -14.949 -1.086 1.00 0.00 H new ATOM 0 HB THR A 57 -1.798 -14.168 0.569 1.00 0.00 H new ATOM 0 HG1 THR A 57 -1.002 -15.917 1.882 1.00 0.00 H new ATOM 0 HG21 THR A 57 -2.583 -16.477 0.142 1.00 0.00 H new ATOM 0 HG22 THR A 57 -2.442 -15.559 -1.376 1.00 0.00 H new ATOM 0 HG23 THR A 57 -1.195 -16.750 -0.938 1.00 0.00 H new ATOM 887 N HIS A 58 -1.565 -12.706 -1.992 1.00 0.00 N ATOM 888 CA HIS A 58 -2.299 -12.270 -3.195 1.00 0.00 C ATOM 889 C HIS A 58 -1.279 -11.860 -4.239 1.00 0.00 C ATOM 890 O HIS A 58 -1.365 -12.235 -5.389 1.00 0.00 O ATOM 891 CB HIS A 58 -3.222 -11.109 -2.839 1.00 0.00 C ATOM 892 CG HIS A 58 -4.266 -11.608 -1.868 1.00 0.00 C ATOM 893 ND1 HIS A 58 -4.714 -10.868 -0.774 1.00 0.00 N ATOM 894 CD2 HIS A 58 -4.956 -12.796 -1.815 1.00 0.00 C ATOM 895 CE1 HIS A 58 -5.626 -11.619 -0.125 1.00 0.00 C ATOM 896 NE2 HIS A 58 -5.810 -12.799 -0.717 1.00 0.00 N ATOM 0 H HIS A 58 -1.652 -12.099 -1.177 1.00 0.00 H new ATOM 0 HA HIS A 58 -2.918 -13.076 -3.589 1.00 0.00 H new ATOM 0 HB2 HIS A 58 -2.651 -10.293 -2.395 1.00 0.00 H new ATOM 0 HB3 HIS A 58 -3.698 -10.714 -3.737 1.00 0.00 H new ATOM 0 HD2 HIS A 58 -4.851 -13.606 -2.521 1.00 0.00 H new ATOM 0 HE1 HIS A 58 -6.145 -11.303 0.768 1.00 0.00 H new ATOM 0 HE2 HIS A 58 -6.442 -13.545 -0.427 1.00 0.00 H new ATOM 904 N TYR A 59 -0.281 -11.136 -3.841 1.00 0.00 N ATOM 905 CA TYR A 59 0.763 -10.750 -4.799 1.00 0.00 C ATOM 906 C TYR A 59 1.261 -12.011 -5.459 1.00 0.00 C ATOM 907 O TYR A 59 1.257 -12.162 -6.665 1.00 0.00 O ATOM 908 CB TYR A 59 1.920 -10.131 -4.031 1.00 0.00 C ATOM 909 CG TYR A 59 3.123 -10.015 -4.929 1.00 0.00 C ATOM 910 CD1 TYR A 59 2.966 -9.611 -6.255 1.00 0.00 C ATOM 911 CD2 TYR A 59 4.398 -10.315 -4.437 1.00 0.00 C ATOM 912 CE1 TYR A 59 4.072 -9.503 -7.086 1.00 0.00 C ATOM 913 CE2 TYR A 59 5.514 -10.205 -5.273 1.00 0.00 C ATOM 914 CZ TYR A 59 5.351 -9.797 -6.600 1.00 0.00 C ATOM 915 OH TYR A 59 6.448 -9.688 -7.430 1.00 0.00 O ATOM 0 H TYR A 59 -0.148 -10.796 -2.889 1.00 0.00 H new ATOM 0 HA TYR A 59 0.375 -10.044 -5.533 1.00 0.00 H new ATOM 0 HB2 TYR A 59 1.636 -9.147 -3.659 1.00 0.00 H new ATOM 0 HB3 TYR A 59 2.161 -10.743 -3.162 1.00 0.00 H new ATOM 0 HD1 TYR A 59 1.982 -9.382 -6.636 1.00 0.00 H new ATOM 0 HD2 TYR A 59 4.520 -10.632 -3.412 1.00 0.00 H new ATOM 0 HE1 TYR A 59 3.945 -9.191 -8.112 1.00 0.00 H new ATOM 0 HE2 TYR A 59 6.499 -10.435 -4.894 1.00 0.00 H new ATOM 0 HH TYR A 59 7.259 -9.928 -6.934 1.00 0.00 H new ATOM 925 N ASN A 60 1.703 -12.915 -4.648 1.00 0.00 N ATOM 926 CA ASN A 60 2.228 -14.183 -5.177 1.00 0.00 C ATOM 927 C ASN A 60 1.112 -14.940 -5.886 1.00 0.00 C ATOM 928 O ASN A 60 1.300 -15.456 -6.971 1.00 0.00 O ATOM 929 CB ASN A 60 2.790 -15.032 -4.037 1.00 0.00 C ATOM 930 CG ASN A 60 4.185 -14.528 -3.659 1.00 0.00 C ATOM 931 OD1 ASN A 60 5.160 -14.857 -4.306 1.00 0.00 O ATOM 932 ND2 ASN A 60 4.323 -13.737 -2.630 1.00 0.00 N ATOM 0 H ASN A 60 1.722 -12.827 -3.632 1.00 0.00 H new ATOM 0 HA ASN A 60 3.028 -13.972 -5.887 1.00 0.00 H new ATOM 0 HB2 ASN A 60 2.128 -14.982 -3.173 1.00 0.00 H new ATOM 0 HB3 ASN A 60 2.840 -16.078 -4.340 1.00 0.00 H new ATOM 0 HD21 ASN A 60 5.248 -13.396 -2.370 1.00 0.00 H new ATOM 0 HD22 ASN A 60 3.506 -13.460 -2.086 1.00 0.00 H new ATOM 939 N GLN A 61 -0.056 -15.001 -5.309 1.00 0.00 N ATOM 940 CA GLN A 61 -1.157 -15.718 -6.010 1.00 0.00 C ATOM 941 C GLN A 61 -1.306 -15.067 -7.376 1.00 0.00 C ATOM 942 O GLN A 61 -1.546 -15.711 -8.377 1.00 0.00 O ATOM 943 CB GLN A 61 -2.467 -15.590 -5.234 1.00 0.00 C ATOM 944 CG GLN A 61 -2.472 -16.576 -4.063 1.00 0.00 C ATOM 945 CD GLN A 61 -2.805 -17.979 -4.576 1.00 0.00 C ATOM 946 OE1 GLN A 61 -1.921 -18.741 -4.913 1.00 0.00 O ATOM 947 NE2 GLN A 61 -4.053 -18.355 -4.648 1.00 0.00 N ATOM 0 H GLN A 61 -0.293 -14.596 -4.403 1.00 0.00 H new ATOM 0 HA GLN A 61 -0.926 -16.780 -6.096 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -2.584 -14.571 -4.865 1.00 0.00 H new ATOM 0 HB3 GLN A 61 -3.312 -15.789 -5.893 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -1.499 -16.579 -3.572 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -3.204 -16.267 -3.317 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -4.795 -17.715 -4.365 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -4.286 -19.288 -4.987 1.00 0.00 H new ATOM 956 N LEU A 62 -1.134 -13.781 -7.405 1.00 0.00 N ATOM 957 CA LEU A 62 -1.227 -13.033 -8.684 1.00 0.00 C ATOM 958 C LEU A 62 0.020 -13.309 -9.524 1.00 0.00 C ATOM 959 O LEU A 62 -0.024 -13.320 -10.738 1.00 0.00 O ATOM 960 CB LEU A 62 -1.303 -11.530 -8.382 1.00 0.00 C ATOM 961 CG LEU A 62 -2.763 -11.070 -8.294 1.00 0.00 C ATOM 962 CD1 LEU A 62 -3.315 -11.325 -6.891 1.00 0.00 C ATOM 963 CD2 LEU A 62 -2.832 -9.576 -8.590 1.00 0.00 C ATOM 0 H LEU A 62 -0.930 -13.208 -6.586 1.00 0.00 H new ATOM 0 HA LEU A 62 -2.116 -13.349 -9.230 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -0.792 -11.316 -7.444 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -0.786 -10.970 -9.162 1.00 0.00 H new ATOM 0 HG LEU A 62 -3.357 -11.628 -9.018 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -4.352 -10.994 -6.842 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -3.263 -12.391 -6.668 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -2.723 -10.773 -6.161 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -3.867 -9.241 -8.530 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -2.231 -9.032 -7.861 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -2.447 -9.385 -9.592 1.00 0.00 H new ATOM 975 N PHE A 63 1.135 -13.512 -8.884 1.00 0.00 N ATOM 976 CA PHE A 63 2.392 -13.766 -9.642 1.00 0.00 C ATOM 977 C PHE A 63 3.419 -14.446 -8.737 1.00 0.00 C ATOM 978 O PHE A 63 3.571 -15.651 -8.738 1.00 0.00 O ATOM 979 CB PHE A 63 2.959 -12.423 -10.117 1.00 0.00 C ATOM 980 CG PHE A 63 2.348 -12.049 -11.444 1.00 0.00 C ATOM 981 CD1 PHE A 63 2.876 -12.565 -12.633 1.00 0.00 C ATOM 982 CD2 PHE A 63 1.259 -11.176 -11.484 1.00 0.00 C ATOM 983 CE1 PHE A 63 2.310 -12.210 -13.863 1.00 0.00 C ATOM 984 CE2 PHE A 63 0.691 -10.818 -12.713 1.00 0.00 C ATOM 985 CZ PHE A 63 1.217 -11.335 -13.903 1.00 0.00 C ATOM 0 H PHE A 63 1.232 -13.513 -7.869 1.00 0.00 H new ATOM 0 HA PHE A 63 2.179 -14.413 -10.493 1.00 0.00 H new ATOM 0 HB2 PHE A 63 2.750 -11.649 -9.379 1.00 0.00 H new ATOM 0 HB3 PHE A 63 4.043 -12.489 -10.211 1.00 0.00 H new ATOM 0 HD1 PHE A 63 3.721 -13.237 -12.601 1.00 0.00 H new ATOM 0 HD2 PHE A 63 0.854 -10.776 -10.566 1.00 0.00 H new ATOM 0 HE1 PHE A 63 2.716 -12.610 -14.780 1.00 0.00 H new ATOM 0 HE2 PHE A 63 -0.152 -10.144 -12.743 1.00 0.00 H new ATOM 0 HZ PHE A 63 0.780 -11.059 -14.851 1.00 0.00 H new ATOM 995 N GLY A 64 4.126 -13.668 -7.975 1.00 0.00 N ATOM 996 CA GLY A 64 5.161 -14.237 -7.065 1.00 0.00 C ATOM 997 C GLY A 64 6.423 -14.564 -7.862 1.00 0.00 C ATOM 998 O GLY A 64 7.462 -14.856 -7.306 1.00 0.00 O ATOM 0 H GLY A 64 4.034 -12.653 -7.940 1.00 0.00 H new ATOM 0 HA2 GLY A 64 5.394 -13.525 -6.273 1.00 0.00 H new ATOM 0 HA3 GLY A 64 4.780 -15.137 -6.583 1.00 0.00 H new ATOM 1002 N ASP A 65 6.337 -14.513 -9.161 1.00 0.00 N ATOM 1003 CA ASP A 65 7.527 -14.819 -10.006 1.00 0.00 C ATOM 1004 C ASP A 65 7.149 -14.670 -11.480 1.00 0.00 C ATOM 1005 O ASP A 65 7.204 -13.594 -12.043 1.00 0.00 O ATOM 1006 CB ASP A 65 7.993 -16.259 -9.735 1.00 0.00 C ATOM 1007 CG ASP A 65 9.107 -16.255 -8.684 1.00 0.00 C ATOM 1008 OD1 ASP A 65 10.143 -15.667 -8.949 1.00 0.00 O ATOM 1009 OD2 ASP A 65 8.905 -16.841 -7.633 1.00 0.00 O ATOM 0 H ASP A 65 5.491 -14.272 -9.677 1.00 0.00 H new ATOM 0 HA ASP A 65 8.335 -14.129 -9.765 1.00 0.00 H new ATOM 0 HB2 ASP A 65 7.155 -16.863 -9.387 1.00 0.00 H new ATOM 0 HB3 ASP A 65 8.353 -16.714 -10.658 1.00 0.00 H new ATOM 1014 N VAL A 66 6.766 -15.745 -12.109 1.00 0.00 N ATOM 1015 CA VAL A 66 6.383 -15.678 -13.548 1.00 0.00 C ATOM 1016 C VAL A 66 4.908 -15.289 -13.666 1.00 0.00 C ATOM 1017 O VAL A 66 4.576 -14.579 -14.600 1.00 0.00 O ATOM 1018 CB VAL A 66 6.601 -17.046 -14.196 1.00 0.00 C ATOM 1019 CG1 VAL A 66 8.048 -17.493 -13.972 1.00 0.00 C ATOM 1020 CG2 VAL A 66 5.651 -18.066 -13.565 1.00 0.00 C ATOM 1021 OXT VAL A 66 4.135 -15.708 -12.819 1.00 0.00 O ATOM 0 H VAL A 66 6.701 -16.672 -11.687 1.00 0.00 H new ATOM 0 HA VAL A 66 6.997 -14.933 -14.053 1.00 0.00 H new ATOM 0 HB VAL A 66 6.403 -16.976 -15.266 1.00 0.00 H new ATOM 0 HG11 VAL A 66 8.203 -18.468 -14.434 1.00 0.00 H new ATOM 0 HG12 VAL A 66 8.727 -16.767 -14.420 1.00 0.00 H new ATOM 0 HG13 VAL A 66 8.246 -17.563 -12.902 1.00 0.00 H new ATOM 0 HG21 VAL A 66 5.806 -19.041 -14.026 1.00 0.00 H new ATOM 0 HG22 VAL A 66 5.849 -18.135 -12.495 1.00 0.00 H new ATOM 0 HG23 VAL A 66 4.620 -17.749 -13.723 1.00 0.00 H new TER 1031 VAL A 66 HETATM 1032 ZN ZN A 67 -5.897 7.929 2.877 1.00 0.00 ZN HETATM 1033 ZN ZN A 68 -4.155 -9.022 -0.244 1.00 0.00 ZN