USER MOD reduce.3.24.130724 H: found=0, std=0, add=274, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 275 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 776 HIS HE2 : A 776 HIS NE2 : A 201 ZNZN :(H bumps) USER MOD NoAdj-H: A 780 HIS HE2 : A 780 HIS NE2 : A 201 ZNZN :(H bumps) USER MOD Set 1.1: A 770 SER OG : rot 180:sc= 0.287 USER MOD Set 1.2: A 772 CYS SG : rot 26:sc= 0.313 USER MOD Single : A 749 SER OG : rot -67:sc= 0.431 USER MOD Single : A 750 SER OG : rot 180:sc= 0.0119 USER MOD Single : A 752 SER OG : rot 180:sc= 0 USER MOD Single : A 753 SER OG : rot 20:sc= 0.149 USER MOD Single : A 756 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 758 TYR OH : rot 180:sc= 0 USER MOD Single : A 761 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 765 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 768 THR OG1 : rot 180:sc= 0 USER MOD Single : A 769 GLN : amide:sc= -0.0386 X(o=-0.039,f=-0.18) USER MOD Single : A 771 SER OG : rot 180:sc= 0.0312 USER MOD Single : A 774 SER OG : rot 180:sc= 0 USER MOD Single : A 781 THR OG1 : rot 180:sc= 0 USER MOD Single : A 784 SER OG : rot 180:sc= 0 USER MOD Single : A 787 SER OG : rot -49:sc= 0.152 USER MOD Single : A 788 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 748 2.309 14.566 -12.901 1.00 0.00 N ATOM 2 CA GLY A 748 3.755 14.646 -12.807 1.00 0.00 C ATOM 3 C GLY A 748 4.214 15.642 -11.760 1.00 0.00 C ATOM 4 O GLY A 748 4.347 16.833 -12.043 1.00 0.00 O ATOM 0 HA2 GLY A 748 4.155 13.661 -12.567 1.00 0.00 H new ATOM 0 HA3 GLY A 748 4.164 14.929 -13.777 1.00 0.00 H new ATOM 8 N SER A 749 4.455 15.155 -10.547 1.00 0.00 N ATOM 9 CA SER A 749 4.896 16.012 -9.453 1.00 0.00 C ATOM 10 C SER A 749 6.392 16.294 -9.552 1.00 0.00 C ATOM 11 O SER A 749 7.178 15.833 -8.724 1.00 0.00 O ATOM 12 CB SER A 749 4.576 15.361 -8.106 1.00 0.00 C ATOM 13 OG SER A 749 5.113 16.117 -7.034 1.00 0.00 O ATOM 0 H SER A 749 4.352 14.171 -10.297 1.00 0.00 H new ATOM 0 HA SER A 749 4.360 16.958 -9.527 1.00 0.00 H new ATOM 0 HB2 SER A 749 3.496 15.273 -7.988 1.00 0.00 H new ATOM 0 HB3 SER A 749 4.982 14.350 -8.081 1.00 0.00 H new ATOM 0 HG SER A 749 6.092 16.083 -7.068 1.00 0.00 H new ATOM 19 N SER A 750 6.778 17.053 -10.572 1.00 0.00 N ATOM 20 CA SER A 750 8.180 17.394 -10.784 1.00 0.00 C ATOM 21 C SER A 750 8.767 18.071 -9.549 1.00 0.00 C ATOM 22 O SER A 750 8.339 19.157 -9.161 1.00 0.00 O ATOM 23 CB SER A 750 8.327 18.310 -12.000 1.00 0.00 C ATOM 24 OG SER A 750 7.477 17.896 -13.056 1.00 0.00 O ATOM 0 H SER A 750 6.140 17.444 -11.265 1.00 0.00 H new ATOM 0 HA SER A 750 8.729 16.470 -10.966 1.00 0.00 H new ATOM 0 HB2 SER A 750 8.089 19.335 -11.718 1.00 0.00 H new ATOM 0 HB3 SER A 750 9.363 18.306 -12.340 1.00 0.00 H new ATOM 0 HG SER A 750 7.588 18.498 -13.821 1.00 0.00 H new ATOM 30 N GLY A 751 9.751 17.419 -8.936 1.00 0.00 N ATOM 31 CA GLY A 751 10.381 17.972 -7.751 1.00 0.00 C ATOM 32 C GLY A 751 9.842 17.365 -6.471 1.00 0.00 C ATOM 33 O GLY A 751 8.643 17.432 -6.201 1.00 0.00 O ATOM 0 H GLY A 751 10.123 16.519 -9.239 1.00 0.00 H new ATOM 0 HA2 GLY A 751 11.457 17.805 -7.804 1.00 0.00 H new ATOM 0 HA3 GLY A 751 10.227 19.051 -7.731 1.00 0.00 H new ATOM 37 N SER A 752 10.730 16.770 -5.681 1.00 0.00 N ATOM 38 CA SER A 752 10.336 16.144 -4.424 1.00 0.00 C ATOM 39 C SER A 752 11.089 16.761 -3.250 1.00 0.00 C ATOM 40 O SER A 752 12.256 17.134 -3.373 1.00 0.00 O ATOM 41 CB SER A 752 10.597 14.637 -4.477 1.00 0.00 C ATOM 42 OG SER A 752 9.800 14.017 -5.471 1.00 0.00 O ATOM 0 H SER A 752 11.727 16.708 -5.889 1.00 0.00 H new ATOM 0 HA SER A 752 9.269 16.316 -4.279 1.00 0.00 H new ATOM 0 HB2 SER A 752 11.651 14.454 -4.685 1.00 0.00 H new ATOM 0 HB3 SER A 752 10.382 14.193 -3.505 1.00 0.00 H new ATOM 0 HG SER A 752 9.986 13.055 -5.486 1.00 0.00 H new ATOM 48 N SER A 753 10.413 16.865 -2.110 1.00 0.00 N ATOM 49 CA SER A 753 11.016 17.440 -0.913 1.00 0.00 C ATOM 50 C SER A 753 11.710 16.364 -0.084 1.00 0.00 C ATOM 51 O SER A 753 11.128 15.322 0.214 1.00 0.00 O ATOM 52 CB SER A 753 9.952 18.144 -0.069 1.00 0.00 C ATOM 53 OG SER A 753 9.032 17.212 0.473 1.00 0.00 O ATOM 0 H SER A 753 9.448 16.559 -1.990 1.00 0.00 H new ATOM 0 HA SER A 753 11.762 18.170 -1.226 1.00 0.00 H new ATOM 0 HB2 SER A 753 10.431 18.698 0.738 1.00 0.00 H new ATOM 0 HB3 SER A 753 9.419 18.871 -0.682 1.00 0.00 H new ATOM 0 HG SER A 753 9.430 16.317 0.465 1.00 0.00 H new ATOM 59 N GLY A 754 12.961 16.625 0.286 1.00 0.00 N ATOM 60 CA GLY A 754 13.715 15.671 1.077 1.00 0.00 C ATOM 61 C GLY A 754 14.751 14.929 0.257 1.00 0.00 C ATOM 62 O GLY A 754 15.752 14.455 0.793 1.00 0.00 O ATOM 0 H GLY A 754 13.465 17.480 0.052 1.00 0.00 H new ATOM 0 HA2 GLY A 754 14.210 16.193 1.896 1.00 0.00 H new ATOM 0 HA3 GLY A 754 13.029 14.953 1.526 1.00 0.00 H new ATOM 66 N GLU A 755 14.509 14.825 -1.046 1.00 0.00 N ATOM 67 CA GLU A 755 15.429 14.132 -1.940 1.00 0.00 C ATOM 68 C GLU A 755 15.536 12.655 -1.572 1.00 0.00 C ATOM 69 O GLU A 755 16.634 12.112 -1.447 1.00 0.00 O ATOM 70 CB GLU A 755 16.813 14.783 -1.889 1.00 0.00 C ATOM 71 CG GLU A 755 17.621 14.595 -3.162 1.00 0.00 C ATOM 72 CD GLU A 755 18.660 15.683 -3.360 1.00 0.00 C ATOM 73 OE1 GLU A 755 18.282 16.873 -3.339 1.00 0.00 O ATOM 74 OE2 GLU A 755 19.848 15.343 -3.534 1.00 0.00 O ATOM 0 H GLU A 755 13.684 15.211 -1.506 1.00 0.00 H new ATOM 0 HA GLU A 755 15.037 14.209 -2.954 1.00 0.00 H new ATOM 0 HB2 GLU A 755 16.697 15.850 -1.697 1.00 0.00 H new ATOM 0 HB3 GLU A 755 17.370 14.367 -1.050 1.00 0.00 H new ATOM 0 HG2 GLU A 755 18.117 13.625 -3.133 1.00 0.00 H new ATOM 0 HG3 GLU A 755 16.946 14.582 -4.018 1.00 0.00 H new ATOM 81 N LYS A 756 14.388 12.010 -1.399 1.00 0.00 N ATOM 82 CA LYS A 756 14.350 10.595 -1.046 1.00 0.00 C ATOM 83 C LYS A 756 13.239 9.875 -1.803 1.00 0.00 C ATOM 84 O LYS A 756 12.233 9.457 -1.229 1.00 0.00 O ATOM 85 CB LYS A 756 14.144 10.430 0.462 1.00 0.00 C ATOM 86 CG LYS A 756 15.440 10.402 1.253 1.00 0.00 C ATOM 87 CD LYS A 756 15.201 10.691 2.725 1.00 0.00 C ATOM 88 CE LYS A 756 14.841 12.151 2.955 1.00 0.00 C ATOM 89 NZ LYS A 756 14.884 12.512 4.399 1.00 0.00 N ATOM 0 H LYS A 756 13.470 12.444 -1.497 1.00 0.00 H new ATOM 0 HA LYS A 756 15.305 10.150 -1.327 1.00 0.00 H new ATOM 0 HB2 LYS A 756 13.523 11.248 0.827 1.00 0.00 H new ATOM 0 HB3 LYS A 756 13.595 9.506 0.646 1.00 0.00 H new ATOM 0 HG2 LYS A 756 15.912 9.426 1.145 1.00 0.00 H new ATOM 0 HG3 LYS A 756 16.133 11.138 0.845 1.00 0.00 H new ATOM 0 HD2 LYS A 756 14.398 10.054 3.096 1.00 0.00 H new ATOM 0 HD3 LYS A 756 16.095 10.441 3.296 1.00 0.00 H new ATOM 0 HE2 LYS A 756 15.531 12.787 2.401 1.00 0.00 H new ATOM 0 HE3 LYS A 756 13.843 12.345 2.562 1.00 0.00 H new ATOM 0 HZ1 LYS A 756 14.633 13.515 4.514 1.00 0.00 H new ATOM 0 HZ2 LYS A 756 14.207 11.923 4.924 1.00 0.00 H new ATOM 0 HZ3 LYS A 756 15.843 12.351 4.769 1.00 0.00 H new ATOM 103 N PRO A 757 13.423 9.724 -3.123 1.00 0.00 N ATOM 104 CA PRO A 757 12.447 9.052 -3.987 1.00 0.00 C ATOM 105 C PRO A 757 12.445 7.540 -3.792 1.00 0.00 C ATOM 106 O PRO A 757 13.030 6.801 -4.584 1.00 0.00 O ATOM 107 CB PRO A 757 12.918 9.409 -5.399 1.00 0.00 C ATOM 108 CG PRO A 757 14.378 9.670 -5.256 1.00 0.00 C ATOM 109 CD PRO A 757 14.598 10.197 -3.874 1.00 0.00 C ATOM 0 HA PRO A 757 11.426 9.367 -3.771 1.00 0.00 H new ATOM 0 HB2 PRO A 757 12.728 8.594 -6.098 1.00 0.00 H new ATOM 0 HB3 PRO A 757 12.395 10.285 -5.781 1.00 0.00 H new ATOM 0 HG2 PRO A 757 14.950 8.756 -5.415 1.00 0.00 H new ATOM 0 HG3 PRO A 757 14.715 10.391 -6.001 1.00 0.00 H new ATOM 0 HD2 PRO A 757 15.525 9.818 -3.445 1.00 0.00 H new ATOM 0 HD3 PRO A 757 14.665 11.285 -3.867 1.00 0.00 H new ATOM 117 N TYR A 758 11.784 7.085 -2.733 1.00 0.00 N ATOM 118 CA TYR A 758 11.707 5.661 -2.434 1.00 0.00 C ATOM 119 C TYR A 758 10.278 5.148 -2.582 1.00 0.00 C ATOM 120 O TYR A 758 9.316 5.897 -2.408 1.00 0.00 O ATOM 121 CB TYR A 758 12.214 5.388 -1.016 1.00 0.00 C ATOM 122 CG TYR A 758 13.720 5.431 -0.892 1.00 0.00 C ATOM 123 CD1 TYR A 758 14.378 6.617 -0.590 1.00 0.00 C ATOM 124 CD2 TYR A 758 14.485 4.287 -1.079 1.00 0.00 C ATOM 125 CE1 TYR A 758 15.754 6.662 -0.477 1.00 0.00 C ATOM 126 CE2 TYR A 758 15.862 4.322 -0.966 1.00 0.00 C ATOM 127 CZ TYR A 758 16.491 5.512 -0.665 1.00 0.00 C ATOM 128 OH TYR A 758 17.862 5.551 -0.553 1.00 0.00 O ATOM 0 H TYR A 758 11.294 7.683 -2.067 1.00 0.00 H new ATOM 0 HA TYR A 758 12.339 5.132 -3.148 1.00 0.00 H new ATOM 0 HB2 TYR A 758 11.781 6.122 -0.337 1.00 0.00 H new ATOM 0 HB3 TYR A 758 11.859 4.409 -0.695 1.00 0.00 H new ATOM 0 HD1 TYR A 758 13.804 7.519 -0.441 1.00 0.00 H new ATOM 0 HD2 TYR A 758 13.995 3.354 -1.317 1.00 0.00 H new ATOM 0 HE1 TYR A 758 16.250 7.593 -0.243 1.00 0.00 H new ATOM 0 HE2 TYR A 758 16.442 3.423 -1.113 1.00 0.00 H new ATOM 0 HH TYR A 758 18.229 4.657 -0.714 1.00 0.00 H new ATOM 138 N VAL A 759 10.147 3.865 -2.905 1.00 0.00 N ATOM 139 CA VAL A 759 8.836 3.250 -3.076 1.00 0.00 C ATOM 140 C VAL A 759 8.820 1.828 -2.527 1.00 0.00 C ATOM 141 O VAL A 759 9.645 0.996 -2.906 1.00 0.00 O ATOM 142 CB VAL A 759 8.419 3.221 -4.558 1.00 0.00 C ATOM 143 CG1 VAL A 759 6.998 2.697 -4.703 1.00 0.00 C ATOM 144 CG2 VAL A 759 8.550 4.606 -5.176 1.00 0.00 C ATOM 0 H VAL A 759 10.933 3.232 -3.053 1.00 0.00 H new ATOM 0 HA VAL A 759 8.125 3.860 -2.518 1.00 0.00 H new ATOM 0 HB VAL A 759 9.087 2.545 -5.092 1.00 0.00 H new ATOM 0 HG11 VAL A 759 6.721 2.684 -5.757 1.00 0.00 H new ATOM 0 HG12 VAL A 759 6.940 1.686 -4.300 1.00 0.00 H new ATOM 0 HG13 VAL A 759 6.314 3.345 -4.156 1.00 0.00 H new ATOM 0 HG21 VAL A 759 8.251 4.567 -6.224 1.00 0.00 H new ATOM 0 HG22 VAL A 759 7.907 5.305 -4.641 1.00 0.00 H new ATOM 0 HG23 VAL A 759 9.586 4.939 -5.106 1.00 0.00 H new ATOM 154 N CYS A 760 7.876 1.555 -1.633 1.00 0.00 N ATOM 155 CA CYS A 760 7.752 0.233 -1.031 1.00 0.00 C ATOM 156 C CYS A 760 7.376 -0.809 -2.080 1.00 0.00 C ATOM 157 O CYS A 760 6.231 -0.871 -2.524 1.00 0.00 O ATOM 158 CB CYS A 760 6.703 0.254 0.083 1.00 0.00 C ATOM 159 SG CYS A 760 6.857 -1.114 1.276 1.00 0.00 S ATOM 0 H CYS A 760 7.185 2.232 -1.309 1.00 0.00 H new ATOM 0 HA CYS A 760 8.718 -0.038 -0.606 1.00 0.00 H new ATOM 0 HB2 CYS A 760 6.777 1.200 0.620 1.00 0.00 H new ATOM 0 HB3 CYS A 760 5.711 0.220 -0.367 1.00 0.00 H new ATOM 164 N GLN A 761 8.350 -1.626 -2.470 1.00 0.00 N ATOM 165 CA GLN A 761 8.121 -2.665 -3.466 1.00 0.00 C ATOM 166 C GLN A 761 7.522 -3.912 -2.825 1.00 0.00 C ATOM 167 O GLN A 761 6.827 -4.686 -3.482 1.00 0.00 O ATOM 168 CB GLN A 761 9.431 -3.019 -4.174 1.00 0.00 C ATOM 169 CG GLN A 761 9.250 -3.969 -5.347 1.00 0.00 C ATOM 170 CD GLN A 761 10.537 -4.199 -6.115 1.00 0.00 C ATOM 171 OE1 GLN A 761 11.260 -5.163 -5.863 1.00 0.00 O ATOM 172 NE2 GLN A 761 10.830 -3.311 -7.058 1.00 0.00 N ATOM 0 H GLN A 761 9.304 -1.588 -2.111 1.00 0.00 H new ATOM 0 HA GLN A 761 7.412 -2.281 -4.199 1.00 0.00 H new ATOM 0 HB2 GLN A 761 9.902 -2.102 -4.529 1.00 0.00 H new ATOM 0 HB3 GLN A 761 10.114 -3.470 -3.454 1.00 0.00 H new ATOM 0 HG2 GLN A 761 8.874 -4.924 -4.981 1.00 0.00 H new ATOM 0 HG3 GLN A 761 8.495 -3.567 -6.023 1.00 0.00 H new ATOM 0 HE21 GLN A 761 10.202 -2.527 -7.233 1.00 0.00 H new ATOM 0 HE22 GLN A 761 11.683 -3.413 -7.607 1.00 0.00 H new ATOM 181 N GLU A 762 7.797 -4.100 -1.538 1.00 0.00 N ATOM 182 CA GLU A 762 7.285 -5.254 -0.809 1.00 0.00 C ATOM 183 C GLU A 762 5.774 -5.379 -0.978 1.00 0.00 C ATOM 184 O GLU A 762 5.279 -6.357 -1.538 1.00 0.00 O ATOM 185 CB GLU A 762 7.636 -5.144 0.677 1.00 0.00 C ATOM 186 CG GLU A 762 7.258 -6.374 1.484 1.00 0.00 C ATOM 187 CD GLU A 762 8.234 -7.519 1.294 1.00 0.00 C ATOM 188 OE1 GLU A 762 9.363 -7.265 0.823 1.00 0.00 O ATOM 189 OE2 GLU A 762 7.869 -8.669 1.616 1.00 0.00 O ATOM 0 H GLU A 762 8.371 -3.468 -0.979 1.00 0.00 H new ATOM 0 HA GLU A 762 7.754 -6.148 -1.221 1.00 0.00 H new ATOM 0 HB2 GLU A 762 8.707 -4.970 0.777 1.00 0.00 H new ATOM 0 HB3 GLU A 762 7.131 -4.274 1.098 1.00 0.00 H new ATOM 0 HG2 GLU A 762 7.214 -6.111 2.541 1.00 0.00 H new ATOM 0 HG3 GLU A 762 6.259 -6.701 1.195 1.00 0.00 H new ATOM 196 N CYS A 763 5.046 -4.380 -0.490 1.00 0.00 N ATOM 197 CA CYS A 763 3.591 -4.376 -0.585 1.00 0.00 C ATOM 198 C CYS A 763 3.128 -3.582 -1.803 1.00 0.00 C ATOM 199 O CYS A 763 2.052 -3.829 -2.346 1.00 0.00 O ATOM 200 CB CYS A 763 2.977 -3.786 0.686 1.00 0.00 C ATOM 201 SG CYS A 763 3.311 -2.010 0.918 1.00 0.00 S ATOM 0 H CYS A 763 5.440 -3.562 -0.025 1.00 0.00 H new ATOM 0 HA CYS A 763 3.256 -5.407 -0.697 1.00 0.00 H new ATOM 0 HB2 CYS A 763 1.898 -3.942 0.662 1.00 0.00 H new ATOM 0 HB3 CYS A 763 3.359 -4.332 1.549 1.00 0.00 H new ATOM 206 N GLY A 764 3.949 -2.626 -2.226 1.00 0.00 N ATOM 207 CA GLY A 764 3.606 -1.810 -3.376 1.00 0.00 C ATOM 208 C GLY A 764 2.940 -0.506 -2.984 1.00 0.00 C ATOM 209 O GLY A 764 1.764 -0.288 -3.279 1.00 0.00 O ATOM 0 H GLY A 764 4.845 -2.402 -1.793 1.00 0.00 H new ATOM 0 HA2 GLY A 764 4.509 -1.596 -3.948 1.00 0.00 H new ATOM 0 HA3 GLY A 764 2.940 -2.372 -4.031 1.00 0.00 H new ATOM 213 N LYS A 765 3.691 0.363 -2.317 1.00 0.00 N ATOM 214 CA LYS A 765 3.167 1.653 -1.883 1.00 0.00 C ATOM 215 C LYS A 765 4.255 2.721 -1.915 1.00 0.00 C ATOM 216 O LYS A 765 5.315 2.559 -1.311 1.00 0.00 O ATOM 217 CB LYS A 765 2.588 1.542 -0.471 1.00 0.00 C ATOM 218 CG LYS A 765 1.601 2.645 -0.130 1.00 0.00 C ATOM 219 CD LYS A 765 0.884 2.367 1.181 1.00 0.00 C ATOM 220 CE LYS A 765 -0.348 1.501 0.969 1.00 0.00 C ATOM 221 NZ LYS A 765 -1.556 2.318 0.668 1.00 0.00 N ATOM 0 H LYS A 765 4.665 0.198 -2.065 1.00 0.00 H new ATOM 0 HA LYS A 765 2.375 1.946 -2.572 1.00 0.00 H new ATOM 0 HB2 LYS A 765 2.092 0.577 -0.365 1.00 0.00 H new ATOM 0 HB3 LYS A 765 3.405 1.561 0.250 1.00 0.00 H new ATOM 0 HG2 LYS A 765 2.127 3.597 -0.063 1.00 0.00 H new ATOM 0 HG3 LYS A 765 0.870 2.741 -0.932 1.00 0.00 H new ATOM 0 HD2 LYS A 765 1.565 1.870 1.871 1.00 0.00 H new ATOM 0 HD3 LYS A 765 0.592 3.309 1.645 1.00 0.00 H new ATOM 0 HE2 LYS A 765 -0.166 0.806 0.149 1.00 0.00 H new ATOM 0 HE3 LYS A 765 -0.528 0.902 1.861 1.00 0.00 H new ATOM 0 HZ1 LYS A 765 -2.374 1.691 0.530 1.00 0.00 H new ATOM 0 HZ2 LYS A 765 -1.745 2.964 1.461 1.00 0.00 H new ATOM 0 HZ3 LYS A 765 -1.394 2.871 -0.198 1.00 0.00 H new ATOM 235 N ALA A 766 3.985 3.813 -2.622 1.00 0.00 N ATOM 236 CA ALA A 766 4.940 4.910 -2.730 1.00 0.00 C ATOM 237 C ALA A 766 4.532 6.082 -1.844 1.00 0.00 C ATOM 238 O ALA A 766 3.362 6.227 -1.489 1.00 0.00 O ATOM 239 CB ALA A 766 5.067 5.359 -4.178 1.00 0.00 C ATOM 0 H ALA A 766 3.113 3.962 -3.129 1.00 0.00 H new ATOM 0 HA ALA A 766 5.910 4.550 -2.387 1.00 0.00 H new ATOM 0 HB1 ALA A 766 5.783 6.178 -4.243 1.00 0.00 H new ATOM 0 HB2 ALA A 766 5.413 4.525 -4.789 1.00 0.00 H new ATOM 0 HB3 ALA A 766 4.096 5.696 -4.541 1.00 0.00 H new ATOM 245 N PHE A 767 5.504 6.915 -1.489 1.00 0.00 N ATOM 246 CA PHE A 767 5.246 8.074 -0.642 1.00 0.00 C ATOM 247 C PHE A 767 6.113 9.258 -1.062 1.00 0.00 C ATOM 248 O PHE A 767 7.314 9.112 -1.295 1.00 0.00 O ATOM 249 CB PHE A 767 5.510 7.730 0.825 1.00 0.00 C ATOM 250 CG PHE A 767 4.795 6.493 1.288 1.00 0.00 C ATOM 251 CD1 PHE A 767 3.435 6.520 1.553 1.00 0.00 C ATOM 252 CD2 PHE A 767 5.483 5.302 1.460 1.00 0.00 C ATOM 253 CE1 PHE A 767 2.774 5.384 1.979 1.00 0.00 C ATOM 254 CE2 PHE A 767 4.827 4.162 1.885 1.00 0.00 C ATOM 255 CZ PHE A 767 3.471 4.203 2.146 1.00 0.00 C ATOM 0 H PHE A 767 6.478 6.809 -1.774 1.00 0.00 H new ATOM 0 HA PHE A 767 4.199 8.352 -0.760 1.00 0.00 H new ATOM 0 HB2 PHE A 767 6.582 7.597 0.972 1.00 0.00 H new ATOM 0 HB3 PHE A 767 5.205 8.571 1.448 1.00 0.00 H new ATOM 0 HD1 PHE A 767 2.885 7.441 1.425 1.00 0.00 H new ATOM 0 HD2 PHE A 767 6.544 5.264 1.260 1.00 0.00 H new ATOM 0 HE1 PHE A 767 1.714 5.419 2.181 1.00 0.00 H new ATOM 0 HE2 PHE A 767 5.374 3.240 2.013 1.00 0.00 H new ATOM 0 HZ PHE A 767 2.957 3.314 2.480 1.00 0.00 H new ATOM 265 N THR A 768 5.496 10.432 -1.157 1.00 0.00 N ATOM 266 CA THR A 768 6.208 11.640 -1.550 1.00 0.00 C ATOM 267 C THR A 768 6.178 12.683 -0.438 1.00 0.00 C ATOM 268 O THR A 768 7.100 13.486 -0.304 1.00 0.00 O ATOM 269 CB THR A 768 5.610 12.254 -2.830 1.00 0.00 C ATOM 270 OG1 THR A 768 4.223 12.548 -2.630 1.00 0.00 O ATOM 271 CG2 THR A 768 5.768 11.307 -4.010 1.00 0.00 C ATOM 0 H THR A 768 4.504 10.571 -0.967 1.00 0.00 H new ATOM 0 HA THR A 768 7.240 11.349 -1.744 1.00 0.00 H new ATOM 0 HB THR A 768 6.149 13.176 -3.050 1.00 0.00 H new ATOM 0 HG1 THR A 768 3.850 12.940 -3.447 1.00 0.00 H new ATOM 0 HG21 THR A 768 5.338 11.762 -4.902 1.00 0.00 H new ATOM 0 HG22 THR A 768 6.827 11.108 -4.178 1.00 0.00 H new ATOM 0 HG23 THR A 768 5.253 10.371 -3.797 1.00 0.00 H new ATOM 279 N GLN A 769 5.113 12.662 0.357 1.00 0.00 N ATOM 280 CA GLN A 769 4.964 13.607 1.458 1.00 0.00 C ATOM 281 C GLN A 769 6.202 13.605 2.348 1.00 0.00 C ATOM 282 O GLN A 769 6.969 14.568 2.363 1.00 0.00 O ATOM 283 CB GLN A 769 3.725 13.265 2.287 1.00 0.00 C ATOM 284 CG GLN A 769 3.422 14.281 3.376 1.00 0.00 C ATOM 285 CD GLN A 769 2.968 15.615 2.819 1.00 0.00 C ATOM 286 OE1 GLN A 769 2.076 15.676 1.972 1.00 0.00 O ATOM 287 NE2 GLN A 769 3.579 16.694 3.293 1.00 0.00 N ATOM 0 H GLN A 769 4.341 12.002 0.260 1.00 0.00 H new ATOM 0 HA GLN A 769 4.845 14.604 1.034 1.00 0.00 H new ATOM 0 HB2 GLN A 769 2.864 13.189 1.623 1.00 0.00 H new ATOM 0 HB3 GLN A 769 3.863 12.285 2.744 1.00 0.00 H new ATOM 0 HG2 GLN A 769 2.648 13.884 4.033 1.00 0.00 H new ATOM 0 HG3 GLN A 769 4.313 14.431 3.986 1.00 0.00 H new ATOM 0 HE21 GLN A 769 4.313 16.598 3.995 1.00 0.00 H new ATOM 0 HE22 GLN A 769 3.314 17.620 2.956 1.00 0.00 H new ATOM 296 N SER A 770 6.391 12.518 3.088 1.00 0.00 N ATOM 297 CA SER A 770 7.535 12.393 3.985 1.00 0.00 C ATOM 298 C SER A 770 8.125 10.988 3.919 1.00 0.00 C ATOM 299 O SER A 770 7.676 10.150 3.137 1.00 0.00 O ATOM 300 CB SER A 770 7.121 12.719 5.421 1.00 0.00 C ATOM 301 OG SER A 770 6.589 11.577 6.070 1.00 0.00 O ATOM 0 H SER A 770 5.767 11.711 3.085 1.00 0.00 H new ATOM 0 HA SER A 770 8.297 13.103 3.665 1.00 0.00 H new ATOM 0 HB2 SER A 770 7.983 13.088 5.976 1.00 0.00 H new ATOM 0 HB3 SER A 770 6.379 13.517 5.417 1.00 0.00 H new ATOM 0 HG SER A 770 6.333 11.811 6.987 1.00 0.00 H new ATOM 307 N SER A 771 9.135 10.738 4.747 1.00 0.00 N ATOM 308 CA SER A 771 9.791 9.436 4.781 1.00 0.00 C ATOM 309 C SER A 771 8.968 8.435 5.586 1.00 0.00 C ATOM 310 O SER A 771 9.389 7.984 6.652 1.00 0.00 O ATOM 311 CB SER A 771 11.192 9.563 5.382 1.00 0.00 C ATOM 312 OG SER A 771 11.194 10.450 6.488 1.00 0.00 O ATOM 0 H SER A 771 9.516 11.420 5.403 1.00 0.00 H new ATOM 0 HA SER A 771 9.875 9.071 3.757 1.00 0.00 H new ATOM 0 HB2 SER A 771 11.546 8.582 5.698 1.00 0.00 H new ATOM 0 HB3 SER A 771 11.886 9.923 4.622 1.00 0.00 H new ATOM 0 HG SER A 771 12.100 10.513 6.855 1.00 0.00 H new ATOM 318 N CYS A 772 7.794 8.092 5.069 1.00 0.00 N ATOM 319 CA CYS A 772 6.911 7.144 5.739 1.00 0.00 C ATOM 320 C CYS A 772 7.417 5.716 5.569 1.00 0.00 C ATOM 321 O CYS A 772 7.150 4.848 6.402 1.00 0.00 O ATOM 322 CB CYS A 772 5.489 7.264 5.188 1.00 0.00 C ATOM 323 SG CYS A 772 4.693 8.849 5.537 1.00 0.00 S ATOM 0 H CYS A 772 7.431 8.456 4.188 1.00 0.00 H new ATOM 0 HA CYS A 772 6.902 7.382 6.803 1.00 0.00 H new ATOM 0 HB2 CYS A 772 5.515 7.113 4.109 1.00 0.00 H new ATOM 0 HB3 CYS A 772 4.880 6.464 5.607 1.00 0.00 H new ATOM 0 HG CYS A 772 5.601 9.766 5.691 1.00 0.00 H new ATOM 329 N LEU A 773 8.147 5.477 4.486 1.00 0.00 N ATOM 330 CA LEU A 773 8.690 4.152 4.205 1.00 0.00 C ATOM 331 C LEU A 773 9.458 3.613 5.407 1.00 0.00 C ATOM 332 O LEU A 773 9.489 2.405 5.645 1.00 0.00 O ATOM 333 CB LEU A 773 9.606 4.204 2.981 1.00 0.00 C ATOM 334 CG LEU A 773 10.298 2.893 2.605 1.00 0.00 C ATOM 335 CD1 LEU A 773 9.331 1.965 1.887 1.00 0.00 C ATOM 336 CD2 LEU A 773 11.521 3.165 1.741 1.00 0.00 C ATOM 0 H LEU A 773 8.377 6.183 3.787 1.00 0.00 H new ATOM 0 HA LEU A 773 7.857 3.480 3.999 1.00 0.00 H new ATOM 0 HB2 LEU A 773 9.019 4.540 2.126 1.00 0.00 H new ATOM 0 HB3 LEU A 773 10.372 4.959 3.157 1.00 0.00 H new ATOM 0 HG LEU A 773 10.627 2.402 3.521 1.00 0.00 H new ATOM 0 HD11 LEU A 773 9.842 1.038 1.628 1.00 0.00 H new ATOM 0 HD12 LEU A 773 8.486 1.744 2.540 1.00 0.00 H new ATOM 0 HD13 LEU A 773 8.971 2.447 0.978 1.00 0.00 H new ATOM 0 HD21 LEU A 773 12.001 2.221 1.483 1.00 0.00 H new ATOM 0 HD22 LEU A 773 11.215 3.678 0.829 1.00 0.00 H new ATOM 0 HD23 LEU A 773 12.223 3.791 2.291 1.00 0.00 H new ATOM 348 N SER A 774 10.075 4.515 6.163 1.00 0.00 N ATOM 349 CA SER A 774 10.844 4.130 7.340 1.00 0.00 C ATOM 350 C SER A 774 10.006 3.267 8.278 1.00 0.00 C ATOM 351 O SER A 774 10.227 2.061 8.393 1.00 0.00 O ATOM 352 CB SER A 774 11.341 5.373 8.080 1.00 0.00 C ATOM 353 OG SER A 774 12.582 5.816 7.557 1.00 0.00 O ATOM 0 H SER A 774 10.057 5.518 5.981 1.00 0.00 H new ATOM 0 HA SER A 774 11.703 3.547 7.007 1.00 0.00 H new ATOM 0 HB2 SER A 774 10.602 6.170 7.996 1.00 0.00 H new ATOM 0 HB3 SER A 774 11.449 5.149 9.141 1.00 0.00 H new ATOM 0 HG SER A 774 12.877 6.613 8.046 1.00 0.00 H new ATOM 359 N ILE A 775 9.043 3.893 8.946 1.00 0.00 N ATOM 360 CA ILE A 775 8.171 3.184 9.873 1.00 0.00 C ATOM 361 C ILE A 775 7.272 2.197 9.136 1.00 0.00 C ATOM 362 O ILE A 775 6.969 1.117 9.644 1.00 0.00 O ATOM 363 CB ILE A 775 7.292 4.159 10.678 1.00 0.00 C ATOM 364 CG1 ILE A 775 8.167 5.148 11.451 1.00 0.00 C ATOM 365 CG2 ILE A 775 6.384 3.393 11.628 1.00 0.00 C ATOM 366 CD1 ILE A 775 7.412 6.359 11.953 1.00 0.00 C ATOM 0 H ILE A 775 8.847 4.891 8.862 1.00 0.00 H new ATOM 0 HA ILE A 775 8.818 2.640 10.561 1.00 0.00 H new ATOM 0 HB ILE A 775 6.667 4.720 9.983 1.00 0.00 H new ATOM 0 HG12 ILE A 775 8.619 4.634 12.300 1.00 0.00 H new ATOM 0 HG13 ILE A 775 8.982 5.479 10.808 1.00 0.00 H new ATOM 0 HG21 ILE A 775 5.769 4.096 12.190 1.00 0.00 H new ATOM 0 HG22 ILE A 775 5.740 2.724 11.056 1.00 0.00 H new ATOM 0 HG23 ILE A 775 6.991 2.809 12.320 1.00 0.00 H new ATOM 0 HD11 ILE A 775 8.095 7.016 12.491 1.00 0.00 H new ATOM 0 HD12 ILE A 775 6.982 6.896 11.107 1.00 0.00 H new ATOM 0 HD13 ILE A 775 6.614 6.038 12.622 1.00 0.00 H new ATOM 378 N HIS A 776 6.849 2.575 7.934 1.00 0.00 N ATOM 379 CA HIS A 776 5.985 1.722 7.124 1.00 0.00 C ATOM 380 C HIS A 776 6.646 0.372 6.863 1.00 0.00 C ATOM 381 O HIS A 776 5.967 -0.643 6.707 1.00 0.00 O ATOM 382 CB HIS A 776 5.655 2.407 5.798 1.00 0.00 C ATOM 383 CG HIS A 776 4.920 1.526 4.835 1.00 0.00 C ATOM 384 ND1 HIS A 776 3.644 1.058 5.067 1.00 0.00 N ATOM 385 CD2 HIS A 776 5.288 1.028 3.631 1.00 0.00 C ATOM 386 CE1 HIS A 776 3.260 0.309 4.049 1.00 0.00 C ATOM 387 NE2 HIS A 776 4.239 0.276 3.163 1.00 0.00 N ATOM 0 H HIS A 776 7.090 3.466 7.499 1.00 0.00 H new ATOM 0 HA HIS A 776 5.061 1.553 7.676 1.00 0.00 H new ATOM 0 HB2 HIS A 776 5.054 3.295 5.997 1.00 0.00 H new ATOM 0 HB3 HIS A 776 6.581 2.746 5.333 1.00 0.00 H new ATOM 0 HD1 HIS A 776 3.084 1.259 5.895 1.00 0.00 H new ATOM 0 HD2 HIS A 776 6.231 1.192 3.132 1.00 0.00 H new ATOM 0 HE1 HIS A 776 2.307 -0.191 3.957 1.00 0.00 H new ATOM 395 N ARG A 777 7.974 0.368 6.815 1.00 0.00 N ATOM 396 CA ARG A 777 8.727 -0.857 6.571 1.00 0.00 C ATOM 397 C ARG A 777 8.806 -1.707 7.835 1.00 0.00 C ATOM 398 O ARG A 777 8.950 -2.928 7.766 1.00 0.00 O ATOM 399 CB ARG A 777 10.136 -0.525 6.077 1.00 0.00 C ATOM 400 CG ARG A 777 10.239 -0.408 4.565 1.00 0.00 C ATOM 401 CD ARG A 777 11.652 -0.693 4.079 1.00 0.00 C ATOM 402 NE ARG A 777 11.733 -0.728 2.621 1.00 0.00 N ATOM 403 CZ ARG A 777 12.858 -0.956 1.953 1.00 0.00 C ATOM 404 NH1 ARG A 777 13.991 -1.168 2.609 1.00 0.00 N ATOM 405 NH2 ARG A 777 12.851 -0.973 0.626 1.00 0.00 N ATOM 0 H ARG A 777 8.551 1.199 6.942 1.00 0.00 H new ATOM 0 HA ARG A 777 8.206 -1.428 5.802 1.00 0.00 H new ATOM 0 HB2 ARG A 777 10.459 0.413 6.528 1.00 0.00 H new ATOM 0 HB3 ARG A 777 10.824 -1.297 6.421 1.00 0.00 H new ATOM 0 HG2 ARG A 777 9.544 -1.106 4.097 1.00 0.00 H new ATOM 0 HG3 ARG A 777 9.942 0.594 4.255 1.00 0.00 H new ATOM 0 HD2 ARG A 777 12.328 0.072 4.461 1.00 0.00 H new ATOM 0 HD3 ARG A 777 11.989 -1.647 4.484 1.00 0.00 H new ATOM 0 HE ARG A 777 10.879 -0.569 2.087 1.00 0.00 H new ATOM 0 HH11 ARG A 777 14.000 -1.156 3.629 1.00 0.00 H new ATOM 0 HH12 ARG A 777 14.854 -1.343 2.094 1.00 0.00 H new ATOM 0 HH21 ARG A 777 11.981 -0.811 0.118 1.00 0.00 H new ATOM 0 HH22 ARG A 777 13.715 -1.148 0.114 1.00 0.00 H new ATOM 419 N ARG A 778 8.713 -1.054 8.989 1.00 0.00 N ATOM 420 CA ARG A 778 8.777 -1.750 10.268 1.00 0.00 C ATOM 421 C ARG A 778 7.612 -2.725 10.415 1.00 0.00 C ATOM 422 O ARG A 778 7.713 -3.726 11.125 1.00 0.00 O ATOM 423 CB ARG A 778 8.762 -0.744 11.421 1.00 0.00 C ATOM 424 CG ARG A 778 9.811 0.347 11.291 1.00 0.00 C ATOM 425 CD ARG A 778 11.219 -0.219 11.384 1.00 0.00 C ATOM 426 NE ARG A 778 12.237 0.808 11.181 1.00 0.00 N ATOM 427 CZ ARG A 778 13.525 0.631 11.455 1.00 0.00 C ATOM 428 NH1 ARG A 778 13.949 -0.528 11.941 1.00 0.00 N ATOM 429 NH2 ARG A 778 14.391 1.613 11.243 1.00 0.00 N ATOM 0 H ARG A 778 8.593 -0.044 9.064 1.00 0.00 H new ATOM 0 HA ARG A 778 9.708 -2.316 10.300 1.00 0.00 H new ATOM 0 HB2 ARG A 778 7.776 -0.283 11.477 1.00 0.00 H new ATOM 0 HB3 ARG A 778 8.919 -1.277 12.359 1.00 0.00 H new ATOM 0 HG2 ARG A 778 9.687 0.861 10.338 1.00 0.00 H new ATOM 0 HG3 ARG A 778 9.664 1.090 12.075 1.00 0.00 H new ATOM 0 HD2 ARG A 778 11.360 -0.681 12.361 1.00 0.00 H new ATOM 0 HD3 ARG A 778 11.344 -1.005 10.639 1.00 0.00 H new ATOM 0 HE ARG A 778 11.943 1.711 10.808 1.00 0.00 H new ATOM 0 HH11 ARG A 778 13.286 -1.285 12.105 1.00 0.00 H new ATOM 0 HH12 ARG A 778 14.938 -0.662 12.151 1.00 0.00 H new ATOM 0 HH21 ARG A 778 14.068 2.506 10.869 1.00 0.00 H new ATOM 0 HH22 ARG A 778 15.379 1.476 11.454 1.00 0.00 H new ATOM 443 N VAL A 779 6.508 -2.426 9.739 1.00 0.00 N ATOM 444 CA VAL A 779 5.324 -3.277 9.793 1.00 0.00 C ATOM 445 C VAL A 779 5.283 -4.237 8.610 1.00 0.00 C ATOM 446 O VAL A 779 4.215 -4.531 8.071 1.00 0.00 O ATOM 447 CB VAL A 779 4.032 -2.439 9.806 1.00 0.00 C ATOM 448 CG1 VAL A 779 3.971 -1.570 11.053 1.00 0.00 C ATOM 449 CG2 VAL A 779 3.936 -1.589 8.548 1.00 0.00 C ATOM 0 H VAL A 779 6.408 -1.601 9.147 1.00 0.00 H new ATOM 0 HA VAL A 779 5.387 -3.849 10.719 1.00 0.00 H new ATOM 0 HB VAL A 779 3.179 -3.118 9.824 1.00 0.00 H new ATOM 0 HG11 VAL A 779 3.051 -0.985 11.044 1.00 0.00 H new ATOM 0 HG12 VAL A 779 3.990 -2.204 11.940 1.00 0.00 H new ATOM 0 HG13 VAL A 779 4.828 -0.897 11.070 1.00 0.00 H new ATOM 0 HG21 VAL A 779 3.017 -1.003 8.574 1.00 0.00 H new ATOM 0 HG22 VAL A 779 4.793 -0.917 8.496 1.00 0.00 H new ATOM 0 HG23 VAL A 779 3.929 -2.236 7.671 1.00 0.00 H new ATOM 459 N HIS A 780 6.453 -4.725 8.209 1.00 0.00 N ATOM 460 CA HIS A 780 6.551 -5.654 7.090 1.00 0.00 C ATOM 461 C HIS A 780 7.446 -6.838 7.443 1.00 0.00 C ATOM 462 O HIS A 780 8.111 -7.408 6.577 1.00 0.00 O ATOM 463 CB HIS A 780 7.095 -4.940 5.852 1.00 0.00 C ATOM 464 CG HIS A 780 6.067 -4.123 5.132 1.00 0.00 C ATOM 465 ND1 HIS A 780 4.752 -4.515 4.999 1.00 0.00 N ATOM 466 CD2 HIS A 780 6.167 -2.927 4.505 1.00 0.00 C ATOM 467 CE1 HIS A 780 4.087 -3.597 4.320 1.00 0.00 C ATOM 468 NE2 HIS A 780 4.923 -2.623 4.008 1.00 0.00 N ATOM 0 H HIS A 780 7.346 -4.492 8.643 1.00 0.00 H new ATOM 0 HA HIS A 780 5.551 -6.029 6.873 1.00 0.00 H new ATOM 0 HB2 HIS A 780 7.919 -4.292 6.149 1.00 0.00 H new ATOM 0 HB3 HIS A 780 7.504 -5.681 5.166 1.00 0.00 H new ATOM 0 HD1 HIS A 780 4.354 -5.379 5.367 1.00 0.00 H new ATOM 0 HD2 HIS A 780 7.059 -2.324 4.413 1.00 0.00 H new ATOM 0 HE1 HIS A 780 3.039 -3.636 4.064 1.00 0.00 H new ATOM 476 N THR A 781 7.460 -7.204 8.721 1.00 0.00 N ATOM 477 CA THR A 781 8.274 -8.318 9.189 1.00 0.00 C ATOM 478 C THR A 781 7.488 -9.212 10.141 1.00 0.00 C ATOM 479 O THR A 781 6.655 -8.735 10.911 1.00 0.00 O ATOM 480 CB THR A 781 9.547 -7.823 9.901 1.00 0.00 C ATOM 481 OG1 THR A 781 10.258 -8.932 10.461 1.00 0.00 O ATOM 482 CG2 THR A 781 9.201 -6.829 11.000 1.00 0.00 C ATOM 0 H THR A 781 6.916 -6.744 9.451 1.00 0.00 H new ATOM 0 HA THR A 781 8.559 -8.893 8.308 1.00 0.00 H new ATOM 0 HB THR A 781 10.177 -7.323 9.165 1.00 0.00 H new ATOM 0 HG1 THR A 781 11.067 -8.609 10.910 1.00 0.00 H new ATOM 0 HG21 THR A 781 10.116 -6.494 11.488 1.00 0.00 H new ATOM 0 HG22 THR A 781 8.686 -5.972 10.566 1.00 0.00 H new ATOM 0 HG23 THR A 781 8.553 -7.309 11.734 1.00 0.00 H new ATOM 490 N GLY A 782 7.759 -10.512 10.083 1.00 0.00 N ATOM 491 CA GLY A 782 7.068 -11.453 10.946 1.00 0.00 C ATOM 492 C GLY A 782 7.803 -12.773 11.071 1.00 0.00 C ATOM 493 O GLY A 782 8.964 -12.883 10.678 1.00 0.00 O ATOM 0 H GLY A 782 8.444 -10.931 9.454 1.00 0.00 H new ATOM 0 HA2 GLY A 782 6.948 -11.013 11.936 1.00 0.00 H new ATOM 0 HA3 GLY A 782 6.067 -11.634 10.554 1.00 0.00 H new ATOM 497 N GLU A 783 7.126 -13.776 11.621 1.00 0.00 N ATOM 498 CA GLU A 783 7.724 -15.094 11.798 1.00 0.00 C ATOM 499 C GLU A 783 7.642 -15.906 10.509 1.00 0.00 C ATOM 500 O GLU A 783 8.588 -16.603 10.140 1.00 0.00 O ATOM 501 CB GLU A 783 7.026 -15.846 12.933 1.00 0.00 C ATOM 502 CG GLU A 783 7.582 -15.523 14.310 1.00 0.00 C ATOM 503 CD GLU A 783 6.708 -16.051 15.431 1.00 0.00 C ATOM 504 OE1 GLU A 783 5.469 -15.952 15.314 1.00 0.00 O ATOM 505 OE2 GLU A 783 7.264 -16.564 16.424 1.00 0.00 O ATOM 0 H GLU A 783 6.164 -13.701 11.951 1.00 0.00 H new ATOM 0 HA GLU A 783 8.775 -14.957 12.054 1.00 0.00 H new ATOM 0 HB2 GLU A 783 5.962 -15.608 12.915 1.00 0.00 H new ATOM 0 HB3 GLU A 783 7.116 -16.918 12.756 1.00 0.00 H new ATOM 0 HG2 GLU A 783 8.581 -15.948 14.403 1.00 0.00 H new ATOM 0 HG3 GLU A 783 7.684 -14.443 14.412 1.00 0.00 H new ATOM 512 N SER A 784 6.504 -15.813 9.828 1.00 0.00 N ATOM 513 CA SER A 784 6.296 -16.542 8.583 1.00 0.00 C ATOM 514 C SER A 784 6.077 -15.579 7.420 1.00 0.00 C ATOM 515 O SER A 784 5.481 -14.515 7.583 1.00 0.00 O ATOM 516 CB SER A 784 5.097 -17.483 8.712 1.00 0.00 C ATOM 517 OG SER A 784 3.949 -16.787 9.167 1.00 0.00 O ATOM 0 H SER A 784 5.712 -15.240 10.118 1.00 0.00 H new ATOM 0 HA SER A 784 7.191 -17.131 8.382 1.00 0.00 H new ATOM 0 HB2 SER A 784 4.888 -17.945 7.747 1.00 0.00 H new ATOM 0 HB3 SER A 784 5.336 -18.289 9.406 1.00 0.00 H new ATOM 0 HG SER A 784 3.196 -17.410 9.239 1.00 0.00 H new ATOM 523 N GLY A 785 6.565 -15.961 6.243 1.00 0.00 N ATOM 524 CA GLY A 785 6.414 -15.121 5.069 1.00 0.00 C ATOM 525 C GLY A 785 6.910 -15.796 3.806 1.00 0.00 C ATOM 526 O GLY A 785 7.252 -16.979 3.802 1.00 0.00 O ATOM 0 H GLY A 785 7.062 -16.837 6.082 1.00 0.00 H new ATOM 0 HA2 GLY A 785 5.363 -14.857 4.948 1.00 0.00 H new ATOM 0 HA3 GLY A 785 6.961 -14.190 5.219 1.00 0.00 H new ATOM 530 N PRO A 786 6.954 -15.035 2.702 1.00 0.00 N ATOM 531 CA PRO A 786 7.410 -15.546 1.406 1.00 0.00 C ATOM 532 C PRO A 786 8.921 -15.743 1.360 1.00 0.00 C ATOM 533 O PRO A 786 9.628 -15.421 2.315 1.00 0.00 O ATOM 534 CB PRO A 786 6.982 -14.453 0.423 1.00 0.00 C ATOM 535 CG PRO A 786 6.923 -13.210 1.242 1.00 0.00 C ATOM 536 CD PRO A 786 6.561 -13.618 2.634 1.00 0.00 C ATOM 0 HA PRO A 786 6.989 -16.527 1.183 1.00 0.00 H new ATOM 0 HB2 PRO A 786 7.696 -14.355 -0.395 1.00 0.00 H new ATOM 0 HB3 PRO A 786 6.014 -14.679 -0.024 1.00 0.00 H new ATOM 0 HG2 PRO A 786 7.883 -12.694 1.229 1.00 0.00 H new ATOM 0 HG3 PRO A 786 6.184 -12.518 0.839 1.00 0.00 H new ATOM 0 HD2 PRO A 786 7.091 -13.021 3.376 1.00 0.00 H new ATOM 0 HD3 PRO A 786 5.495 -13.490 2.823 1.00 0.00 H new ATOM 544 N SER A 787 9.411 -16.272 0.243 1.00 0.00 N ATOM 545 CA SER A 787 10.839 -16.515 0.074 1.00 0.00 C ATOM 546 C SER A 787 11.356 -17.479 1.137 1.00 0.00 C ATOM 547 O SER A 787 12.530 -17.443 1.505 1.00 0.00 O ATOM 548 CB SER A 787 11.613 -15.197 0.145 1.00 0.00 C ATOM 549 OG SER A 787 12.907 -15.335 -0.416 1.00 0.00 O ATOM 0 H SER A 787 8.840 -16.540 -0.558 1.00 0.00 H new ATOM 0 HA SER A 787 10.992 -16.967 -0.906 1.00 0.00 H new ATOM 0 HB2 SER A 787 11.064 -14.420 -0.387 1.00 0.00 H new ATOM 0 HB3 SER A 787 11.696 -14.876 1.183 1.00 0.00 H new ATOM 0 HG SER A 787 13.344 -16.127 -0.039 1.00 0.00 H new ATOM 555 N SER A 788 10.470 -18.341 1.626 1.00 0.00 N ATOM 556 CA SER A 788 10.834 -19.314 2.650 1.00 0.00 C ATOM 557 C SER A 788 11.806 -20.350 2.093 1.00 0.00 C ATOM 558 O SER A 788 11.856 -20.585 0.886 1.00 0.00 O ATOM 559 CB SER A 788 9.584 -20.009 3.191 1.00 0.00 C ATOM 560 OG SER A 788 8.983 -20.823 2.198 1.00 0.00 O ATOM 0 H SER A 788 9.495 -18.386 1.330 1.00 0.00 H new ATOM 0 HA SER A 788 11.325 -18.781 3.464 1.00 0.00 H new ATOM 0 HB2 SER A 788 9.848 -20.619 4.055 1.00 0.00 H new ATOM 0 HB3 SER A 788 8.869 -19.262 3.535 1.00 0.00 H new ATOM 0 HG SER A 788 8.187 -21.258 2.569 1.00 0.00 H new ATOM 566 N GLY A 789 12.577 -20.968 2.983 1.00 0.00 N ATOM 567 CA GLY A 789 13.537 -21.972 2.563 1.00 0.00 C ATOM 568 C GLY A 789 13.814 -22.997 3.644 1.00 0.00 C ATOM 569 O GLY A 789 14.714 -22.784 4.455 1.00 0.00 O ATOM 0 H GLY A 789 12.554 -20.791 3.987 1.00 0.00 H new ATOM 0 HA2 GLY A 789 13.163 -22.479 1.674 1.00 0.00 H new ATOM 0 HA3 GLY A 789 14.470 -21.483 2.282 1.00 0.00 H new TER 573 GLY A 789 HETATM 574 ZN ZN A 201 4.889 -1.471 2.393 1.00 0.00 ZN