USER MOD reduce.3.24.130724 H: found=0, std=0, add=275, rem=0, adj=16 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 Set 1.1: A 756 LYS NZ :NH3+ -119:sc= 0.358 (180deg=-0.708) USER MOD Set 1.2: A 770 SER OG : rot 180:sc= 0.767 USER MOD Single : A 749 SER OG : rot 180:sc= 0 USER MOD Single : A 750 SER OG : rot 180:sc= 0 USER MOD Single : A 752 SER OG : rot 180:sc= 0 USER MOD Single : A 753 SER OG : rot 180:sc= 0.00455 USER MOD Single : A 758 TYR OH : rot 180:sc= 0 USER MOD Single : A 761 GLN : amide:sc= -0.163 K(o=-0.16,f=-1.3) 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 X(o=0,f=0) USER MOD Single : A 771 SER OG : rot -44:sc= 1.1 USER MOD Single : A 772 CYS SG : rot 44:sc= -0.152 USER MOD Single : A 774 SER OG : rot 180:sc= 0 USER MOD Single : A 780 HIS : no HE2:sc= -0.812 K(o=-0.81,f=-2.6) USER MOD Single : A 781 THR OG1 : rot 41:sc= 0.0162 USER MOD Single : A 784 SER OG : rot 180:sc= 0 USER MOD Single : A 787 SER OG : rot 180:sc= 0 USER MOD Single : A 788 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 748 0.374 18.294 -11.019 1.00 0.00 N ATOM 2 CA GLY A 748 1.116 18.295 -12.266 1.00 0.00 C ATOM 3 C GLY A 748 2.233 17.271 -12.277 1.00 0.00 C ATOM 4 O GLY A 748 2.656 16.793 -11.225 1.00 0.00 O ATOM 0 HA2 GLY A 748 0.434 18.092 -13.091 1.00 0.00 H new ATOM 0 HA3 GLY A 748 1.535 19.287 -12.435 1.00 0.00 H new ATOM 8 N SER A 749 2.712 16.932 -13.470 1.00 0.00 N ATOM 9 CA SER A 749 3.783 15.953 -13.614 1.00 0.00 C ATOM 10 C SER A 749 4.906 16.502 -14.490 1.00 0.00 C ATOM 11 O SER A 749 4.665 17.283 -15.410 1.00 0.00 O ATOM 12 CB SER A 749 3.240 14.655 -14.214 1.00 0.00 C ATOM 13 OG SER A 749 4.240 13.979 -14.957 1.00 0.00 O ATOM 0 H SER A 749 2.375 17.321 -14.351 1.00 0.00 H new ATOM 0 HA SER A 749 4.187 15.745 -12.623 1.00 0.00 H new ATOM 0 HB2 SER A 749 2.874 14.007 -13.417 1.00 0.00 H new ATOM 0 HB3 SER A 749 2.390 14.877 -14.860 1.00 0.00 H new ATOM 0 HG SER A 749 3.868 13.152 -15.329 1.00 0.00 H new ATOM 19 N SER A 750 6.134 16.086 -14.197 1.00 0.00 N ATOM 20 CA SER A 750 7.295 16.538 -14.954 1.00 0.00 C ATOM 21 C SER A 750 7.823 15.425 -15.854 1.00 0.00 C ATOM 22 O SER A 750 7.469 14.258 -15.690 1.00 0.00 O ATOM 23 CB SER A 750 8.398 17.008 -14.004 1.00 0.00 C ATOM 24 OG SER A 750 7.918 18.003 -13.117 1.00 0.00 O ATOM 0 H SER A 750 6.350 15.437 -13.441 1.00 0.00 H new ATOM 0 HA SER A 750 6.986 17.374 -15.582 1.00 0.00 H new ATOM 0 HB2 SER A 750 8.776 16.160 -13.433 1.00 0.00 H new ATOM 0 HB3 SER A 750 9.235 17.403 -14.580 1.00 0.00 H new ATOM 0 HG SER A 750 8.642 18.285 -12.519 1.00 0.00 H new ATOM 30 N GLY A 751 8.673 15.796 -16.807 1.00 0.00 N ATOM 31 CA GLY A 751 9.237 14.818 -17.720 1.00 0.00 C ATOM 32 C GLY A 751 10.639 14.398 -17.325 1.00 0.00 C ATOM 33 O GLY A 751 11.591 14.604 -18.078 1.00 0.00 O ATOM 0 H GLY A 751 8.981 16.756 -16.963 1.00 0.00 H new ATOM 0 HA2 GLY A 751 8.593 13.939 -17.750 1.00 0.00 H new ATOM 0 HA3 GLY A 751 9.256 15.234 -18.727 1.00 0.00 H new ATOM 37 N SER A 752 10.767 13.808 -16.141 1.00 0.00 N ATOM 38 CA SER A 752 12.064 13.363 -15.646 1.00 0.00 C ATOM 39 C SER A 752 11.896 12.322 -14.542 1.00 0.00 C ATOM 40 O SER A 752 10.801 12.134 -14.013 1.00 0.00 O ATOM 41 CB SER A 752 12.870 14.553 -15.121 1.00 0.00 C ATOM 42 OG SER A 752 12.364 15.003 -13.876 1.00 0.00 O ATOM 0 H SER A 752 9.989 13.627 -15.507 1.00 0.00 H new ATOM 0 HA SER A 752 12.604 12.905 -16.475 1.00 0.00 H new ATOM 0 HB2 SER A 752 13.916 14.267 -15.010 1.00 0.00 H new ATOM 0 HB3 SER A 752 12.837 15.366 -15.846 1.00 0.00 H new ATOM 0 HG SER A 752 12.897 15.763 -13.561 1.00 0.00 H new ATOM 48 N SER A 753 12.990 11.649 -14.201 1.00 0.00 N ATOM 49 CA SER A 753 12.964 10.624 -13.164 1.00 0.00 C ATOM 50 C SER A 753 13.587 11.144 -11.871 1.00 0.00 C ATOM 51 O SER A 753 14.231 12.192 -11.857 1.00 0.00 O ATOM 52 CB SER A 753 13.708 9.373 -13.634 1.00 0.00 C ATOM 53 OG SER A 753 14.909 9.716 -14.304 1.00 0.00 O ATOM 0 H SER A 753 13.905 11.795 -14.627 1.00 0.00 H new ATOM 0 HA SER A 753 11.923 10.367 -12.968 1.00 0.00 H new ATOM 0 HB2 SER A 753 13.934 8.737 -12.778 1.00 0.00 H new ATOM 0 HB3 SER A 753 13.068 8.794 -14.301 1.00 0.00 H new ATOM 0 HG SER A 753 15.367 8.899 -14.593 1.00 0.00 H new ATOM 59 N GLY A 754 13.389 10.402 -10.786 1.00 0.00 N ATOM 60 CA GLY A 754 13.936 10.803 -9.503 1.00 0.00 C ATOM 61 C GLY A 754 12.900 11.451 -8.608 1.00 0.00 C ATOM 62 O GLY A 754 13.217 12.351 -7.831 1.00 0.00 O ATOM 0 H GLY A 754 12.860 9.530 -10.772 1.00 0.00 H new ATOM 0 HA2 GLY A 754 14.351 9.930 -9.000 1.00 0.00 H new ATOM 0 HA3 GLY A 754 14.759 11.499 -9.664 1.00 0.00 H new ATOM 66 N GLU A 755 11.656 10.994 -8.717 1.00 0.00 N ATOM 67 CA GLU A 755 10.569 11.539 -7.912 1.00 0.00 C ATOM 68 C GLU A 755 10.248 10.619 -6.737 1.00 0.00 C ATOM 69 O GLU A 755 9.660 9.551 -6.912 1.00 0.00 O ATOM 70 CB GLU A 755 9.320 11.741 -8.771 1.00 0.00 C ATOM 71 CG GLU A 755 9.245 13.111 -9.424 1.00 0.00 C ATOM 72 CD GLU A 755 10.192 13.249 -10.601 1.00 0.00 C ATOM 73 OE1 GLU A 755 10.738 12.218 -11.048 1.00 0.00 O ATOM 74 OE2 GLU A 755 10.387 14.388 -11.075 1.00 0.00 O ATOM 0 H GLU A 755 11.376 10.248 -9.354 1.00 0.00 H new ATOM 0 HA GLU A 755 10.891 12.503 -7.519 1.00 0.00 H new ATOM 0 HB2 GLU A 755 9.296 10.976 -9.547 1.00 0.00 H new ATOM 0 HB3 GLU A 755 8.435 11.594 -8.151 1.00 0.00 H new ATOM 0 HG2 GLU A 755 8.224 13.294 -9.760 1.00 0.00 H new ATOM 0 HG3 GLU A 755 9.478 13.876 -8.683 1.00 0.00 H new ATOM 81 N LYS A 756 10.640 11.040 -5.539 1.00 0.00 N ATOM 82 CA LYS A 756 10.395 10.256 -4.335 1.00 0.00 C ATOM 83 C LYS A 756 10.941 8.840 -4.486 1.00 0.00 C ATOM 84 O LYS A 756 10.193 7.865 -4.565 1.00 0.00 O ATOM 85 CB LYS A 756 8.896 10.206 -4.030 1.00 0.00 C ATOM 86 CG LYS A 756 8.422 11.329 -3.124 1.00 0.00 C ATOM 87 CD LYS A 756 8.445 10.913 -1.662 1.00 0.00 C ATOM 88 CE LYS A 756 9.867 10.837 -1.127 1.00 0.00 C ATOM 89 NZ LYS A 756 10.580 12.138 -1.260 1.00 0.00 N ATOM 0 H LYS A 756 11.129 11.920 -5.377 1.00 0.00 H new ATOM 0 HA LYS A 756 10.913 10.739 -3.506 1.00 0.00 H new ATOM 0 HB2 LYS A 756 8.341 10.248 -4.967 1.00 0.00 H new ATOM 0 HB3 LYS A 756 8.660 9.250 -3.563 1.00 0.00 H new ATOM 0 HG2 LYS A 756 9.057 12.204 -3.264 1.00 0.00 H new ATOM 0 HG3 LYS A 756 7.410 11.621 -3.404 1.00 0.00 H new ATOM 0 HD2 LYS A 756 7.870 11.626 -1.071 1.00 0.00 H new ATOM 0 HD3 LYS A 756 7.961 9.943 -1.551 1.00 0.00 H new ATOM 0 HE2 LYS A 756 9.845 10.540 -0.078 1.00 0.00 H new ATOM 0 HE3 LYS A 756 10.417 10.065 -1.665 1.00 0.00 H new ATOM 0 HZ1 LYS A 756 11.413 12.016 -1.870 1.00 0.00 H new ATOM 0 HZ2 LYS A 756 9.942 12.842 -1.682 1.00 0.00 H new ATOM 0 HZ3 LYS A 756 10.884 12.465 -0.321 1.00 0.00 H new ATOM 103 N PRO A 757 12.276 8.721 -4.526 1.00 0.00 N ATOM 104 CA PRO A 757 12.952 7.427 -4.666 1.00 0.00 C ATOM 105 C PRO A 757 12.410 6.383 -3.697 1.00 0.00 C ATOM 106 O PRO A 757 12.281 5.208 -4.043 1.00 0.00 O ATOM 107 CB PRO A 757 14.412 7.753 -4.341 1.00 0.00 C ATOM 108 CG PRO A 757 14.561 9.197 -4.673 1.00 0.00 C ATOM 109 CD PRO A 757 13.230 9.840 -4.438 1.00 0.00 C ATOM 0 HA PRO A 757 12.808 6.996 -5.657 1.00 0.00 H new ATOM 0 HB2 PRO A 757 14.636 7.563 -3.291 1.00 0.00 H new ATOM 0 HB3 PRO A 757 15.095 7.139 -4.929 1.00 0.00 H new ATOM 0 HG2 PRO A 757 15.327 9.659 -4.051 1.00 0.00 H new ATOM 0 HG3 PRO A 757 14.873 9.324 -5.710 1.00 0.00 H new ATOM 0 HD2 PRO A 757 13.187 10.326 -3.463 1.00 0.00 H new ATOM 0 HD3 PRO A 757 13.018 10.605 -5.185 1.00 0.00 H new ATOM 117 N TYR A 758 12.094 6.817 -2.482 1.00 0.00 N ATOM 118 CA TYR A 758 11.568 5.918 -1.461 1.00 0.00 C ATOM 119 C TYR A 758 10.237 5.315 -1.900 1.00 0.00 C ATOM 120 O TYR A 758 9.180 5.921 -1.727 1.00 0.00 O ATOM 121 CB TYR A 758 11.391 6.664 -0.137 1.00 0.00 C ATOM 122 CG TYR A 758 12.612 7.451 0.282 1.00 0.00 C ATOM 123 CD1 TYR A 758 13.825 6.817 0.517 1.00 0.00 C ATOM 124 CD2 TYR A 758 12.551 8.830 0.442 1.00 0.00 C ATOM 125 CE1 TYR A 758 14.943 7.533 0.901 1.00 0.00 C ATOM 126 CE2 TYR A 758 13.664 9.554 0.825 1.00 0.00 C ATOM 127 CZ TYR A 758 14.857 8.901 1.053 1.00 0.00 C ATOM 128 OH TYR A 758 15.968 9.618 1.434 1.00 0.00 O ATOM 0 H TYR A 758 12.193 7.786 -2.180 1.00 0.00 H new ATOM 0 HA TYR A 758 12.285 5.109 -1.321 1.00 0.00 H new ATOM 0 HB2 TYR A 758 10.543 7.343 -0.223 1.00 0.00 H new ATOM 0 HB3 TYR A 758 11.146 5.946 0.645 1.00 0.00 H new ATOM 0 HD1 TYR A 758 13.896 5.746 0.398 1.00 0.00 H new ATOM 0 HD2 TYR A 758 11.618 9.344 0.264 1.00 0.00 H new ATOM 0 HE1 TYR A 758 15.878 7.024 1.081 1.00 0.00 H new ATOM 0 HE2 TYR A 758 13.600 10.625 0.945 1.00 0.00 H new ATOM 0 HH TYR A 758 15.739 10.569 1.494 1.00 0.00 H new ATOM 138 N VAL A 759 10.298 4.116 -2.470 1.00 0.00 N ATOM 139 CA VAL A 759 9.099 3.428 -2.934 1.00 0.00 C ATOM 140 C VAL A 759 9.153 1.942 -2.596 1.00 0.00 C ATOM 141 O VAL A 759 9.933 1.189 -3.180 1.00 0.00 O ATOM 142 CB VAL A 759 8.910 3.591 -4.454 1.00 0.00 C ATOM 143 CG1 VAL A 759 7.590 2.979 -4.897 1.00 0.00 C ATOM 144 CG2 VAL A 759 8.983 5.060 -4.844 1.00 0.00 C ATOM 0 H VAL A 759 11.165 3.601 -2.622 1.00 0.00 H new ATOM 0 HA VAL A 759 8.253 3.885 -2.420 1.00 0.00 H new ATOM 0 HB VAL A 759 9.716 3.062 -4.962 1.00 0.00 H new ATOM 0 HG11 VAL A 759 7.474 3.104 -5.974 1.00 0.00 H new ATOM 0 HG12 VAL A 759 7.581 1.917 -4.652 1.00 0.00 H new ATOM 0 HG13 VAL A 759 6.768 3.477 -4.383 1.00 0.00 H new ATOM 0 HG21 VAL A 759 8.848 5.158 -5.921 1.00 0.00 H new ATOM 0 HG22 VAL A 759 8.198 5.613 -4.328 1.00 0.00 H new ATOM 0 HG23 VAL A 759 9.956 5.463 -4.563 1.00 0.00 H new ATOM 154 N CYS A 760 8.317 1.525 -1.651 1.00 0.00 N ATOM 155 CA CYS A 760 8.268 0.129 -1.234 1.00 0.00 C ATOM 156 C CYS A 760 8.053 -0.789 -2.434 1.00 0.00 C ATOM 157 O CYS A 760 7.373 -0.425 -3.392 1.00 0.00 O ATOM 158 CB CYS A 760 7.150 -0.081 -0.211 1.00 0.00 C ATOM 159 SG CYS A 760 7.170 -1.718 0.587 1.00 0.00 S ATOM 0 H CYS A 760 7.664 2.135 -1.159 1.00 0.00 H new ATOM 0 HA CYS A 760 9.224 -0.121 -0.774 1.00 0.00 H new ATOM 0 HB2 CYS A 760 7.227 0.687 0.558 1.00 0.00 H new ATOM 0 HB3 CYS A 760 6.189 0.059 -0.706 1.00 0.00 H new ATOM 164 N GLN A 761 8.638 -1.981 -2.372 1.00 0.00 N ATOM 165 CA GLN A 761 8.511 -2.951 -3.453 1.00 0.00 C ATOM 166 C GLN A 761 7.789 -4.207 -2.976 1.00 0.00 C ATOM 167 O GLN A 761 7.153 -4.905 -3.764 1.00 0.00 O ATOM 168 CB GLN A 761 9.891 -3.319 -4.002 1.00 0.00 C ATOM 169 CG GLN A 761 10.432 -2.317 -5.009 1.00 0.00 C ATOM 170 CD GLN A 761 9.631 -2.293 -6.296 1.00 0.00 C ATOM 171 OE1 GLN A 761 8.836 -3.195 -6.563 1.00 0.00 O ATOM 172 NE2 GLN A 761 9.835 -1.258 -7.102 1.00 0.00 N ATOM 0 H GLN A 761 9.204 -2.298 -1.585 1.00 0.00 H new ATOM 0 HA GLN A 761 7.921 -2.495 -4.248 1.00 0.00 H new ATOM 0 HB2 GLN A 761 10.593 -3.402 -3.172 1.00 0.00 H new ATOM 0 HB3 GLN A 761 9.836 -4.301 -4.472 1.00 0.00 H new ATOM 0 HG2 GLN A 761 10.428 -1.322 -4.564 1.00 0.00 H new ATOM 0 HG3 GLN A 761 11.470 -2.560 -5.236 1.00 0.00 H new ATOM 0 HE21 GLN A 761 10.503 -0.533 -6.842 1.00 0.00 H new ATOM 0 HE22 GLN A 761 9.323 -1.188 -7.982 1.00 0.00 H new ATOM 181 N GLU A 762 7.893 -4.487 -1.680 1.00 0.00 N ATOM 182 CA GLU A 762 7.250 -5.660 -1.099 1.00 0.00 C ATOM 183 C GLU A 762 5.760 -5.683 -1.428 1.00 0.00 C ATOM 184 O GLU A 762 5.240 -6.677 -1.935 1.00 0.00 O ATOM 185 CB GLU A 762 7.450 -5.679 0.418 1.00 0.00 C ATOM 186 CG GLU A 762 8.766 -6.302 0.851 1.00 0.00 C ATOM 187 CD GLU A 762 8.741 -7.817 0.797 1.00 0.00 C ATOM 188 OE1 GLU A 762 8.194 -8.436 1.733 1.00 0.00 O ATOM 189 OE2 GLU A 762 9.268 -8.384 -0.183 1.00 0.00 O ATOM 0 H GLU A 762 8.416 -3.918 -1.014 1.00 0.00 H new ATOM 0 HA GLU A 762 7.713 -6.548 -1.530 1.00 0.00 H new ATOM 0 HB2 GLU A 762 7.400 -4.658 0.795 1.00 0.00 H new ATOM 0 HB3 GLU A 762 6.629 -6.229 0.877 1.00 0.00 H new ATOM 0 HG2 GLU A 762 9.567 -5.933 0.210 1.00 0.00 H new ATOM 0 HG3 GLU A 762 8.998 -5.982 1.867 1.00 0.00 H new ATOM 196 N CYS A 763 5.079 -4.580 -1.136 1.00 0.00 N ATOM 197 CA CYS A 763 3.649 -4.472 -1.398 1.00 0.00 C ATOM 198 C CYS A 763 3.381 -3.531 -2.569 1.00 0.00 C ATOM 199 O CYS A 763 2.405 -3.694 -3.299 1.00 0.00 O ATOM 200 CB CYS A 763 2.917 -3.974 -0.151 1.00 0.00 C ATOM 201 SG CYS A 763 3.456 -2.331 0.422 1.00 0.00 S ATOM 0 H CYS A 763 5.495 -3.748 -0.718 1.00 0.00 H new ATOM 0 HA CYS A 763 3.276 -5.463 -1.658 1.00 0.00 H new ATOM 0 HB2 CYS A 763 1.848 -3.941 -0.359 1.00 0.00 H new ATOM 0 HB3 CYS A 763 3.063 -4.694 0.654 1.00 0.00 H new ATOM 206 N GLY A 764 4.256 -2.544 -2.740 1.00 0.00 N ATOM 207 CA GLY A 764 4.096 -1.591 -3.823 1.00 0.00 C ATOM 208 C GLY A 764 3.257 -0.394 -3.423 1.00 0.00 C ATOM 209 O GLY A 764 2.231 -0.110 -4.043 1.00 0.00 O ATOM 0 H GLY A 764 5.072 -2.388 -2.148 1.00 0.00 H new ATOM 0 HA2 GLY A 764 5.078 -1.249 -4.150 1.00 0.00 H new ATOM 0 HA3 GLY A 764 3.631 -2.088 -4.675 1.00 0.00 H new ATOM 213 N LYS A 765 3.690 0.310 -2.383 1.00 0.00 N ATOM 214 CA LYS A 765 2.972 1.483 -1.899 1.00 0.00 C ATOM 215 C LYS A 765 3.883 2.705 -1.871 1.00 0.00 C ATOM 216 O LYS A 765 5.014 2.637 -1.389 1.00 0.00 O ATOM 217 CB LYS A 765 2.409 1.220 -0.501 1.00 0.00 C ATOM 218 CG LYS A 765 1.017 0.612 -0.510 1.00 0.00 C ATOM 219 CD LYS A 765 0.283 0.878 0.794 1.00 0.00 C ATOM 220 CE LYS A 765 -1.214 0.654 0.647 1.00 0.00 C ATOM 221 NZ LYS A 765 -1.585 -0.772 0.863 1.00 0.00 N ATOM 0 H LYS A 765 4.536 0.088 -1.858 1.00 0.00 H new ATOM 0 HA LYS A 765 2.148 1.683 -2.584 1.00 0.00 H new ATOM 0 HB2 LYS A 765 3.084 0.552 0.034 1.00 0.00 H new ATOM 0 HB3 LYS A 765 2.383 2.158 0.053 1.00 0.00 H new ATOM 0 HG2 LYS A 765 0.445 1.024 -1.341 1.00 0.00 H new ATOM 0 HG3 LYS A 765 1.090 -0.463 -0.675 1.00 0.00 H new ATOM 0 HD2 LYS A 765 0.675 0.224 1.573 1.00 0.00 H new ATOM 0 HD3 LYS A 765 0.469 1.903 1.115 1.00 0.00 H new ATOM 0 HE2 LYS A 765 -1.747 1.280 1.362 1.00 0.00 H new ATOM 0 HE3 LYS A 765 -1.532 0.965 -0.348 1.00 0.00 H new ATOM 0 HZ1 LYS A 765 -2.613 -0.883 0.754 1.00 0.00 H new ATOM 0 HZ2 LYS A 765 -1.096 -1.368 0.164 1.00 0.00 H new ATOM 0 HZ3 LYS A 765 -1.305 -1.062 1.822 1.00 0.00 H new ATOM 235 N ALA A 766 3.384 3.823 -2.389 1.00 0.00 N ATOM 236 CA ALA A 766 4.152 5.061 -2.419 1.00 0.00 C ATOM 237 C ALA A 766 3.795 5.958 -1.238 1.00 0.00 C ATOM 238 O ALA A 766 2.869 5.665 -0.482 1.00 0.00 O ATOM 239 CB ALA A 766 3.919 5.795 -3.731 1.00 0.00 C ATOM 0 H ALA A 766 2.451 3.896 -2.794 1.00 0.00 H new ATOM 0 HA ALA A 766 5.209 4.806 -2.341 1.00 0.00 H new ATOM 0 HB1 ALA A 766 4.499 6.718 -3.740 1.00 0.00 H new ATOM 0 HB2 ALA A 766 4.231 5.163 -4.562 1.00 0.00 H new ATOM 0 HB3 ALA A 766 2.860 6.031 -3.833 1.00 0.00 H new ATOM 245 N PHE A 767 4.535 7.051 -1.086 1.00 0.00 N ATOM 246 CA PHE A 767 4.297 7.989 0.004 1.00 0.00 C ATOM 247 C PHE A 767 4.512 9.427 -0.460 1.00 0.00 C ATOM 248 O PHE A 767 5.542 9.754 -1.052 1.00 0.00 O ATOM 249 CB PHE A 767 5.221 7.679 1.183 1.00 0.00 C ATOM 250 CG PHE A 767 4.963 6.339 1.810 1.00 0.00 C ATOM 251 CD1 PHE A 767 3.730 6.048 2.372 1.00 0.00 C ATOM 252 CD2 PHE A 767 5.953 5.370 1.838 1.00 0.00 C ATOM 253 CE1 PHE A 767 3.490 4.816 2.950 1.00 0.00 C ATOM 254 CE2 PHE A 767 5.718 4.135 2.415 1.00 0.00 C ATOM 255 CZ PHE A 767 4.485 3.858 2.970 1.00 0.00 C ATOM 0 H PHE A 767 5.304 7.309 -1.704 1.00 0.00 H new ATOM 0 HA PHE A 767 3.261 7.879 0.325 1.00 0.00 H new ATOM 0 HB2 PHE A 767 6.256 7.719 0.844 1.00 0.00 H new ATOM 0 HB3 PHE A 767 5.103 8.454 1.940 1.00 0.00 H new ATOM 0 HD1 PHE A 767 2.948 6.793 2.358 1.00 0.00 H new ATOM 0 HD2 PHE A 767 6.919 5.581 1.404 1.00 0.00 H new ATOM 0 HE1 PHE A 767 2.525 4.602 3.386 1.00 0.00 H new ATOM 0 HE2 PHE A 767 6.498 3.388 2.431 1.00 0.00 H new ATOM 0 HZ PHE A 767 4.298 2.894 3.419 1.00 0.00 H new ATOM 265 N THR A 768 3.532 10.283 -0.188 1.00 0.00 N ATOM 266 CA THR A 768 3.612 11.685 -0.578 1.00 0.00 C ATOM 267 C THR A 768 4.714 12.408 0.189 1.00 0.00 C ATOM 268 O THR A 768 5.327 13.343 -0.324 1.00 0.00 O ATOM 269 CB THR A 768 2.275 12.412 -0.339 1.00 0.00 C ATOM 270 OG1 THR A 768 2.348 13.750 -0.842 1.00 0.00 O ATOM 271 CG2 THR A 768 1.931 12.439 1.143 1.00 0.00 C ATOM 0 H THR A 768 2.673 10.030 0.301 1.00 0.00 H new ATOM 0 HA THR A 768 3.842 11.703 -1.643 1.00 0.00 H new ATOM 0 HB THR A 768 1.492 11.869 -0.867 1.00 0.00 H new ATOM 0 HG1 THR A 768 1.494 14.205 -0.688 1.00 0.00 H new ATOM 0 HG21 THR A 768 0.983 12.957 1.287 1.00 0.00 H new ATOM 0 HG22 THR A 768 1.847 11.418 1.516 1.00 0.00 H new ATOM 0 HG23 THR A 768 2.717 12.961 1.689 1.00 0.00 H new ATOM 279 N GLN A 769 4.959 11.967 1.418 1.00 0.00 N ATOM 280 CA GLN A 769 5.988 12.573 2.255 1.00 0.00 C ATOM 281 C GLN A 769 7.271 11.749 2.222 1.00 0.00 C ATOM 282 O GLN A 769 7.335 10.707 1.570 1.00 0.00 O ATOM 283 CB GLN A 769 5.491 12.707 3.695 1.00 0.00 C ATOM 284 CG GLN A 769 4.680 13.968 3.944 1.00 0.00 C ATOM 285 CD GLN A 769 4.659 14.370 5.406 1.00 0.00 C ATOM 286 OE1 GLN A 769 5.433 15.224 5.837 1.00 0.00 O ATOM 287 NE2 GLN A 769 3.770 13.754 6.177 1.00 0.00 N ATOM 0 H GLN A 769 4.460 11.193 1.856 1.00 0.00 H new ATOM 0 HA GLN A 769 6.204 13.565 1.859 1.00 0.00 H new ATOM 0 HB2 GLN A 769 4.881 11.838 3.942 1.00 0.00 H new ATOM 0 HB3 GLN A 769 6.348 12.697 4.369 1.00 0.00 H new ATOM 0 HG2 GLN A 769 5.094 14.784 3.353 1.00 0.00 H new ATOM 0 HG3 GLN A 769 3.658 13.812 3.599 1.00 0.00 H new ATOM 0 HE21 GLN A 769 3.148 13.052 5.777 1.00 0.00 H new ATOM 0 HE22 GLN A 769 3.710 13.983 7.169 1.00 0.00 H new ATOM 296 N SER A 770 8.292 12.224 2.930 1.00 0.00 N ATOM 297 CA SER A 770 9.575 11.533 2.978 1.00 0.00 C ATOM 298 C SER A 770 9.762 10.828 4.318 1.00 0.00 C ATOM 299 O SER A 770 9.010 11.060 5.265 1.00 0.00 O ATOM 300 CB SER A 770 10.719 12.522 2.745 1.00 0.00 C ATOM 301 OG SER A 770 10.654 13.078 1.443 1.00 0.00 O ATOM 0 H SER A 770 8.255 13.084 3.478 1.00 0.00 H new ATOM 0 HA SER A 770 9.586 10.782 2.188 1.00 0.00 H new ATOM 0 HB2 SER A 770 10.672 13.319 3.487 1.00 0.00 H new ATOM 0 HB3 SER A 770 11.675 12.016 2.881 1.00 0.00 H new ATOM 0 HG SER A 770 11.394 13.708 1.319 1.00 0.00 H new ATOM 307 N SER A 771 10.771 9.966 4.390 1.00 0.00 N ATOM 308 CA SER A 771 11.057 9.223 5.612 1.00 0.00 C ATOM 309 C SER A 771 9.827 8.450 6.078 1.00 0.00 C ATOM 310 O SER A 771 9.655 8.194 7.270 1.00 0.00 O ATOM 311 CB SER A 771 11.522 10.176 6.716 1.00 0.00 C ATOM 312 OG SER A 771 10.418 10.709 7.428 1.00 0.00 O ATOM 0 H SER A 771 11.404 9.765 3.616 1.00 0.00 H new ATOM 0 HA SER A 771 11.853 8.510 5.397 1.00 0.00 H new ATOM 0 HB2 SER A 771 12.181 9.647 7.404 1.00 0.00 H new ATOM 0 HB3 SER A 771 12.103 10.988 6.279 1.00 0.00 H new ATOM 0 HG SER A 771 9.722 10.983 6.795 1.00 0.00 H new ATOM 318 N CYS A 772 8.974 8.080 5.128 1.00 0.00 N ATOM 319 CA CYS A 772 7.759 7.336 5.439 1.00 0.00 C ATOM 320 C CYS A 772 7.992 5.835 5.310 1.00 0.00 C ATOM 321 O CYS A 772 7.561 5.053 6.159 1.00 0.00 O ATOM 322 CB CYS A 772 6.620 7.769 4.514 1.00 0.00 C ATOM 323 SG CYS A 772 5.951 9.407 4.884 1.00 0.00 S ATOM 0 H CYS A 772 9.102 8.283 4.137 1.00 0.00 H new ATOM 0 HA CYS A 772 7.483 7.555 6.471 1.00 0.00 H new ATOM 0 HB2 CYS A 772 6.978 7.759 3.485 1.00 0.00 H new ATOM 0 HB3 CYS A 772 5.815 7.037 4.579 1.00 0.00 H new ATOM 0 HG CYS A 772 6.929 10.237 5.098 1.00 0.00 H new ATOM 329 N LEU A 773 8.676 5.437 4.243 1.00 0.00 N ATOM 330 CA LEU A 773 8.966 4.028 4.001 1.00 0.00 C ATOM 331 C LEU A 773 9.714 3.416 5.180 1.00 0.00 C ATOM 332 O LEU A 773 9.625 2.213 5.428 1.00 0.00 O ATOM 333 CB LEU A 773 9.789 3.869 2.722 1.00 0.00 C ATOM 334 CG LEU A 773 10.426 2.497 2.500 1.00 0.00 C ATOM 335 CD1 LEU A 773 9.355 1.428 2.349 1.00 0.00 C ATOM 336 CD2 LEU A 773 11.334 2.521 1.279 1.00 0.00 C ATOM 0 H LEU A 773 9.040 6.070 3.531 1.00 0.00 H new ATOM 0 HA LEU A 773 8.018 3.502 3.884 1.00 0.00 H new ATOM 0 HB2 LEU A 773 9.146 4.091 1.870 1.00 0.00 H new ATOM 0 HB3 LEU A 773 10.581 4.618 2.728 1.00 0.00 H new ATOM 0 HG LEU A 773 11.031 2.254 3.373 1.00 0.00 H new ATOM 0 HD11 LEU A 773 9.828 0.459 2.192 1.00 0.00 H new ATOM 0 HD12 LEU A 773 8.746 1.393 3.253 1.00 0.00 H new ATOM 0 HD13 LEU A 773 8.722 1.666 1.494 1.00 0.00 H new ATOM 0 HD21 LEU A 773 11.779 1.536 1.137 1.00 0.00 H new ATOM 0 HD22 LEU A 773 10.751 2.787 0.397 1.00 0.00 H new ATOM 0 HD23 LEU A 773 12.124 3.257 1.427 1.00 0.00 H new ATOM 348 N SER A 774 10.450 4.252 5.906 1.00 0.00 N ATOM 349 CA SER A 774 11.215 3.793 7.059 1.00 0.00 C ATOM 350 C SER A 774 10.305 3.122 8.083 1.00 0.00 C ATOM 351 O SER A 774 10.453 1.936 8.379 1.00 0.00 O ATOM 352 CB SER A 774 11.954 4.965 7.707 1.00 0.00 C ATOM 353 OG SER A 774 12.727 5.671 6.753 1.00 0.00 O ATOM 0 H SER A 774 10.532 5.251 5.716 1.00 0.00 H new ATOM 0 HA SER A 774 11.944 3.061 6.712 1.00 0.00 H new ATOM 0 HB2 SER A 774 11.235 5.641 8.169 1.00 0.00 H new ATOM 0 HB3 SER A 774 12.601 4.596 8.502 1.00 0.00 H new ATOM 0 HG SER A 774 13.188 6.416 7.192 1.00 0.00 H new ATOM 359 N ILE A 775 9.363 3.890 8.621 1.00 0.00 N ATOM 360 CA ILE A 775 8.428 3.370 9.611 1.00 0.00 C ATOM 361 C ILE A 775 7.557 2.268 9.019 1.00 0.00 C ATOM 362 O ILE A 775 7.107 1.368 9.730 1.00 0.00 O ATOM 363 CB ILE A 775 7.520 4.484 10.167 1.00 0.00 C ATOM 364 CG1 ILE A 775 8.365 5.599 10.787 1.00 0.00 C ATOM 365 CG2 ILE A 775 6.550 3.914 11.191 1.00 0.00 C ATOM 366 CD1 ILE A 775 7.550 6.784 11.256 1.00 0.00 C ATOM 0 H ILE A 775 9.227 4.874 8.388 1.00 0.00 H new ATOM 0 HA ILE A 775 9.026 2.959 10.425 1.00 0.00 H new ATOM 0 HB ILE A 775 6.943 4.907 9.345 1.00 0.00 H new ATOM 0 HG12 ILE A 775 8.923 5.194 11.632 1.00 0.00 H new ATOM 0 HG13 ILE A 775 9.098 5.939 10.055 1.00 0.00 H new ATOM 0 HG21 ILE A 775 5.915 4.713 11.575 1.00 0.00 H new ATOM 0 HG22 ILE A 775 5.929 3.152 10.719 1.00 0.00 H new ATOM 0 HG23 ILE A 775 7.109 3.468 12.013 1.00 0.00 H new ATOM 0 HD11 ILE A 775 8.213 7.535 11.684 1.00 0.00 H new ATOM 0 HD12 ILE A 775 7.013 7.214 10.410 1.00 0.00 H new ATOM 0 HD13 ILE A 775 6.835 6.458 12.012 1.00 0.00 H new ATOM 378 N HIS A 776 7.324 2.342 7.713 1.00 0.00 N ATOM 379 CA HIS A 776 6.509 1.348 7.024 1.00 0.00 C ATOM 380 C HIS A 776 7.129 -0.041 7.143 1.00 0.00 C ATOM 381 O HIS A 776 6.451 -1.005 7.500 1.00 0.00 O ATOM 382 CB HIS A 776 6.348 1.722 5.550 1.00 0.00 C ATOM 383 CG HIS A 776 5.668 0.666 4.734 1.00 0.00 C ATOM 384 ND1 HIS A 776 4.379 0.242 4.976 1.00 0.00 N ATOM 385 CD2 HIS A 776 6.106 -0.052 3.674 1.00 0.00 C ATOM 386 CE1 HIS A 776 4.053 -0.692 4.101 1.00 0.00 C ATOM 387 NE2 HIS A 776 5.084 -0.889 3.299 1.00 0.00 N ATOM 0 H HIS A 776 7.688 3.080 7.110 1.00 0.00 H new ATOM 0 HA HIS A 776 5.527 1.330 7.496 1.00 0.00 H new ATOM 0 HB2 HIS A 776 5.777 2.648 5.479 1.00 0.00 H new ATOM 0 HB3 HIS A 776 7.332 1.921 5.125 1.00 0.00 H new ATOM 0 HD1 HIS A 776 3.772 0.595 5.716 1.00 0.00 H new ATOM 0 HD2 HIS A 776 7.078 0.020 3.209 1.00 0.00 H new ATOM 0 HE1 HIS A 776 3.105 -1.207 4.050 1.00 0.00 H new ATOM 395 N ARG A 777 8.420 -0.136 6.843 1.00 0.00 N ATOM 396 CA ARG A 777 9.130 -1.407 6.915 1.00 0.00 C ATOM 397 C ARG A 777 9.028 -2.008 8.314 1.00 0.00 C ATOM 398 O ARG A 777 9.092 -3.225 8.483 1.00 0.00 O ATOM 399 CB ARG A 777 10.600 -1.216 6.535 1.00 0.00 C ATOM 400 CG ARG A 777 10.808 -0.825 5.081 1.00 0.00 C ATOM 401 CD ARG A 777 12.073 0.000 4.902 1.00 0.00 C ATOM 402 NE ARG A 777 12.599 -0.093 3.543 1.00 0.00 N ATOM 403 CZ ARG A 777 13.827 0.280 3.203 1.00 0.00 C ATOM 404 NH1 ARG A 777 14.653 0.768 4.119 1.00 0.00 N ATOM 405 NH2 ARG A 777 14.233 0.164 1.945 1.00 0.00 N ATOM 0 H ARG A 777 8.996 0.652 6.548 1.00 0.00 H new ATOM 0 HA ARG A 777 8.666 -2.095 6.208 1.00 0.00 H new ATOM 0 HB2 ARG A 777 11.035 -0.448 7.175 1.00 0.00 H new ATOM 0 HB3 ARG A 777 11.141 -2.141 6.735 1.00 0.00 H new ATOM 0 HG2 ARG A 777 10.868 -1.723 4.466 1.00 0.00 H new ATOM 0 HG3 ARG A 777 9.948 -0.255 4.730 1.00 0.00 H new ATOM 0 HD2 ARG A 777 11.862 1.043 5.139 1.00 0.00 H new ATOM 0 HD3 ARG A 777 12.831 -0.340 5.608 1.00 0.00 H new ATOM 0 HE ARG A 777 11.989 -0.465 2.815 1.00 0.00 H new ATOM 0 HH11 ARG A 777 14.345 0.857 5.087 1.00 0.00 H new ATOM 0 HH12 ARG A 777 15.596 1.054 3.855 1.00 0.00 H new ATOM 0 HH21 ARG A 777 13.601 -0.212 1.238 1.00 0.00 H new ATOM 0 HH22 ARG A 777 15.177 0.451 1.685 1.00 0.00 H new ATOM 419 N ARG A 778 8.870 -1.145 9.312 1.00 0.00 N ATOM 420 CA ARG A 778 8.761 -1.591 10.696 1.00 0.00 C ATOM 421 C ARG A 778 7.497 -2.420 10.903 1.00 0.00 C ATOM 422 O ARG A 778 7.512 -3.429 11.608 1.00 0.00 O ATOM 423 CB ARG A 778 8.756 -0.389 11.642 1.00 0.00 C ATOM 424 CG ARG A 778 9.870 0.608 11.368 1.00 0.00 C ATOM 425 CD ARG A 778 11.240 -0.037 11.505 1.00 0.00 C ATOM 426 NE ARG A 778 11.684 -0.651 10.257 1.00 0.00 N ATOM 427 CZ ARG A 778 12.709 -1.492 10.175 1.00 0.00 C ATOM 428 NH1 ARG A 778 13.391 -1.818 11.264 1.00 0.00 N ATOM 429 NH2 ARG A 778 13.052 -2.011 9.003 1.00 0.00 N ATOM 0 H ARG A 778 8.815 -0.134 9.188 1.00 0.00 H new ATOM 0 HA ARG A 778 9.625 -2.217 10.919 1.00 0.00 H new ATOM 0 HB2 ARG A 778 7.796 0.121 11.562 1.00 0.00 H new ATOM 0 HB3 ARG A 778 8.843 -0.745 12.668 1.00 0.00 H new ATOM 0 HG2 ARG A 778 9.757 1.015 10.363 1.00 0.00 H new ATOM 0 HG3 ARG A 778 9.790 1.445 12.062 1.00 0.00 H new ATOM 0 HD2 ARG A 778 11.965 0.715 11.817 1.00 0.00 H new ATOM 0 HD3 ARG A 778 11.208 -0.793 12.289 1.00 0.00 H new ATOM 0 HE ARG A 778 11.179 -0.422 9.401 1.00 0.00 H new ATOM 0 HH11 ARG A 778 13.129 -1.423 12.167 1.00 0.00 H new ATOM 0 HH12 ARG A 778 14.178 -2.464 11.199 1.00 0.00 H new ATOM 0 HH21 ARG A 778 12.528 -1.764 8.163 1.00 0.00 H new ATOM 0 HH22 ARG A 778 13.839 -2.657 8.942 1.00 0.00 H new ATOM 443 N VAL A 779 6.404 -1.987 10.283 1.00 0.00 N ATOM 444 CA VAL A 779 5.131 -2.690 10.398 1.00 0.00 C ATOM 445 C VAL A 779 4.780 -3.406 9.099 1.00 0.00 C ATOM 446 O VAL A 779 3.614 -3.464 8.705 1.00 0.00 O ATOM 447 CB VAL A 779 3.988 -1.724 10.765 1.00 0.00 C ATOM 448 CG1 VAL A 779 4.273 -1.038 12.092 1.00 0.00 C ATOM 449 CG2 VAL A 779 3.782 -0.699 9.659 1.00 0.00 C ATOM 0 H VAL A 779 6.374 -1.153 9.696 1.00 0.00 H new ATOM 0 HA VAL A 779 5.245 -3.425 11.195 1.00 0.00 H new ATOM 0 HB VAL A 779 3.069 -2.300 10.872 1.00 0.00 H new ATOM 0 HG11 VAL A 779 3.455 -0.360 12.334 1.00 0.00 H new ATOM 0 HG12 VAL A 779 4.367 -1.789 12.877 1.00 0.00 H new ATOM 0 HG13 VAL A 779 5.202 -0.473 12.017 1.00 0.00 H new ATOM 0 HG21 VAL A 779 2.971 -0.025 9.934 1.00 0.00 H new ATOM 0 HG22 VAL A 779 4.699 -0.126 9.519 1.00 0.00 H new ATOM 0 HG23 VAL A 779 3.529 -1.211 8.731 1.00 0.00 H new ATOM 459 N HIS A 780 5.795 -3.953 8.438 1.00 0.00 N ATOM 460 CA HIS A 780 5.593 -4.668 7.183 1.00 0.00 C ATOM 461 C HIS A 780 5.698 -6.175 7.393 1.00 0.00 C ATOM 462 O HIS A 780 6.399 -6.869 6.655 1.00 0.00 O ATOM 463 CB HIS A 780 6.617 -4.213 6.142 1.00 0.00 C ATOM 464 CG HIS A 780 6.118 -4.299 4.733 1.00 0.00 C ATOM 465 ND1 HIS A 780 5.061 -5.101 4.356 1.00 0.00 N ATOM 466 CD2 HIS A 780 6.535 -3.676 3.606 1.00 0.00 C ATOM 467 CE1 HIS A 780 4.852 -4.969 3.059 1.00 0.00 C ATOM 468 NE2 HIS A 780 5.732 -4.109 2.580 1.00 0.00 N ATOM 0 H HIS A 780 6.765 -3.915 8.750 1.00 0.00 H new ATOM 0 HA HIS A 780 4.591 -4.439 6.820 1.00 0.00 H new ATOM 0 HB2 HIS A 780 6.906 -3.184 6.354 1.00 0.00 H new ATOM 0 HB3 HIS A 780 7.516 -4.822 6.238 1.00 0.00 H new ATOM 0 HD1 HIS A 780 4.525 -5.702 4.982 1.00 0.00 H new ATOM 0 HD2 HIS A 780 7.348 -2.970 3.528 1.00 0.00 H new ATOM 0 HE1 HIS A 780 4.090 -5.478 2.487 1.00 0.00 H new ATOM 476 N THR A 781 4.998 -6.677 8.406 1.00 0.00 N ATOM 477 CA THR A 781 5.014 -8.101 8.714 1.00 0.00 C ATOM 478 C THR A 781 3.739 -8.783 8.230 1.00 0.00 C ATOM 479 O THR A 781 2.696 -8.146 8.094 1.00 0.00 O ATOM 480 CB THR A 781 5.171 -8.346 10.227 1.00 0.00 C ATOM 481 OG1 THR A 781 4.464 -7.341 10.962 1.00 0.00 O ATOM 482 CG2 THR A 781 6.638 -8.336 10.627 1.00 0.00 C ATOM 0 H THR A 781 4.413 -6.118 9.027 1.00 0.00 H new ATOM 0 HA THR A 781 5.871 -8.528 8.193 1.00 0.00 H new ATOM 0 HB THR A 781 4.754 -9.326 10.459 1.00 0.00 H new ATOM 0 HG1 THR A 781 3.605 -7.160 10.526 1.00 0.00 H new ATOM 0 HG21 THR A 781 6.724 -8.511 11.699 1.00 0.00 H new ATOM 0 HG22 THR A 781 7.168 -9.121 10.088 1.00 0.00 H new ATOM 0 HG23 THR A 781 7.076 -7.368 10.381 1.00 0.00 H new ATOM 490 N GLY A 782 3.831 -10.084 7.972 1.00 0.00 N ATOM 491 CA GLY A 782 2.677 -10.831 7.506 1.00 0.00 C ATOM 492 C GLY A 782 2.363 -10.563 6.048 1.00 0.00 C ATOM 493 O GLY A 782 2.944 -9.667 5.437 1.00 0.00 O ATOM 0 H GLY A 782 4.684 -10.634 8.077 1.00 0.00 H new ATOM 0 HA2 GLY A 782 2.858 -11.897 7.646 1.00 0.00 H new ATOM 0 HA3 GLY A 782 1.811 -10.572 8.115 1.00 0.00 H new ATOM 497 N GLU A 783 1.443 -11.343 5.489 1.00 0.00 N ATOM 498 CA GLU A 783 1.056 -11.186 4.092 1.00 0.00 C ATOM 499 C GLU A 783 -0.459 -11.064 3.958 1.00 0.00 C ATOM 500 O GLU A 783 -1.184 -11.078 4.953 1.00 0.00 O ATOM 501 CB GLU A 783 1.558 -12.370 3.264 1.00 0.00 C ATOM 502 CG GLU A 783 3.067 -12.392 3.085 1.00 0.00 C ATOM 503 CD GLU A 783 3.525 -13.465 2.116 1.00 0.00 C ATOM 504 OE1 GLU A 783 3.079 -13.439 0.950 1.00 0.00 O ATOM 505 OE2 GLU A 783 4.327 -14.330 2.524 1.00 0.00 O ATOM 0 H GLU A 783 0.952 -12.089 5.982 1.00 0.00 H new ATOM 0 HA GLU A 783 1.512 -10.270 3.716 1.00 0.00 H new ATOM 0 HB2 GLU A 783 1.244 -13.297 3.744 1.00 0.00 H new ATOM 0 HB3 GLU A 783 1.085 -12.343 2.283 1.00 0.00 H new ATOM 0 HG2 GLU A 783 3.401 -11.418 2.727 1.00 0.00 H new ATOM 0 HG3 GLU A 783 3.541 -12.555 4.053 1.00 0.00 H new ATOM 512 N SER A 784 -0.930 -10.943 2.721 1.00 0.00 N ATOM 513 CA SER A 784 -2.358 -10.814 2.456 1.00 0.00 C ATOM 514 C SER A 784 -2.748 -11.575 1.193 1.00 0.00 C ATOM 515 O SER A 784 -2.003 -11.599 0.214 1.00 0.00 O ATOM 516 CB SER A 784 -2.741 -9.339 2.314 1.00 0.00 C ATOM 517 OG SER A 784 -4.079 -9.200 1.869 1.00 0.00 O ATOM 0 H SER A 784 -0.344 -10.932 1.887 1.00 0.00 H new ATOM 0 HA SER A 784 -2.898 -11.244 3.300 1.00 0.00 H new ATOM 0 HB2 SER A 784 -2.619 -8.835 3.272 1.00 0.00 H new ATOM 0 HB3 SER A 784 -2.068 -8.851 1.609 1.00 0.00 H new ATOM 0 HG SER A 784 -4.300 -8.249 1.788 1.00 0.00 H new ATOM 523 N GLY A 785 -3.922 -12.199 1.223 1.00 0.00 N ATOM 524 CA GLY A 785 -4.391 -12.953 0.076 1.00 0.00 C ATOM 525 C GLY A 785 -5.838 -12.654 -0.262 1.00 0.00 C ATOM 526 O GLY A 785 -6.568 -12.044 0.520 1.00 0.00 O ATOM 0 H GLY A 785 -4.556 -12.195 2.022 1.00 0.00 H new ATOM 0 HA2 GLY A 785 -3.765 -12.724 -0.786 1.00 0.00 H new ATOM 0 HA3 GLY A 785 -4.281 -14.019 0.276 1.00 0.00 H new ATOM 530 N PRO A 786 -6.273 -13.089 -1.455 1.00 0.00 N ATOM 531 CA PRO A 786 -7.646 -12.875 -1.922 1.00 0.00 C ATOM 532 C PRO A 786 -8.683 -13.255 -0.871 1.00 0.00 C ATOM 533 O PRO A 786 -9.764 -12.670 -0.812 1.00 0.00 O ATOM 534 CB PRO A 786 -7.754 -13.798 -3.139 1.00 0.00 C ATOM 535 CG PRO A 786 -6.355 -13.942 -3.631 1.00 0.00 C ATOM 536 CD PRO A 786 -5.459 -13.823 -2.437 1.00 0.00 C ATOM 0 HA PRO A 786 -7.841 -11.826 -2.146 1.00 0.00 H new ATOM 0 HB2 PRO A 786 -8.179 -14.764 -2.867 1.00 0.00 H new ATOM 0 HB3 PRO A 786 -8.401 -13.369 -3.905 1.00 0.00 H new ATOM 0 HG2 PRO A 786 -6.216 -14.904 -4.123 1.00 0.00 H new ATOM 0 HG3 PRO A 786 -6.123 -13.171 -4.366 1.00 0.00 H new ATOM 0 HD2 PRO A 786 -5.164 -14.802 -2.060 1.00 0.00 H new ATOM 0 HD3 PRO A 786 -4.542 -13.285 -2.678 1.00 0.00 H new ATOM 544 N SER A 787 -8.345 -14.238 -0.042 1.00 0.00 N ATOM 545 CA SER A 787 -9.249 -14.698 1.006 1.00 0.00 C ATOM 546 C SER A 787 -9.394 -13.645 2.100 1.00 0.00 C ATOM 547 O SER A 787 -8.458 -13.388 2.857 1.00 0.00 O ATOM 548 CB SER A 787 -8.739 -16.009 1.608 1.00 0.00 C ATOM 549 OG SER A 787 -9.789 -16.723 2.238 1.00 0.00 O ATOM 0 H SER A 787 -7.453 -14.731 -0.076 1.00 0.00 H new ATOM 0 HA SER A 787 -10.228 -14.868 0.559 1.00 0.00 H new ATOM 0 HB2 SER A 787 -8.295 -16.624 0.825 1.00 0.00 H new ATOM 0 HB3 SER A 787 -7.952 -15.798 2.332 1.00 0.00 H new ATOM 0 HG SER A 787 -9.438 -17.558 2.613 1.00 0.00 H new ATOM 555 N SER A 788 -10.574 -13.038 2.176 1.00 0.00 N ATOM 556 CA SER A 788 -10.842 -12.010 3.174 1.00 0.00 C ATOM 557 C SER A 788 -12.245 -12.166 3.752 1.00 0.00 C ATOM 558 O SER A 788 -13.144 -12.691 3.096 1.00 0.00 O ATOM 559 CB SER A 788 -10.683 -10.618 2.559 1.00 0.00 C ATOM 560 OG SER A 788 -11.247 -10.568 1.259 1.00 0.00 O ATOM 0 H SER A 788 -11.360 -13.241 1.558 1.00 0.00 H new ATOM 0 HA SER A 788 -10.120 -12.127 3.982 1.00 0.00 H new ATOM 0 HB2 SER A 788 -11.166 -9.878 3.197 1.00 0.00 H new ATOM 0 HB3 SER A 788 -9.626 -10.357 2.511 1.00 0.00 H new ATOM 0 HG SER A 788 -11.134 -9.668 0.888 1.00 0.00 H new ATOM 566 N GLY A 789 -12.424 -11.705 4.986 1.00 0.00 N ATOM 567 CA GLY A 789 -13.720 -11.803 5.633 1.00 0.00 C ATOM 568 C GLY A 789 -14.752 -10.886 5.006 1.00 0.00 C ATOM 569 O GLY A 789 -14.642 -9.670 5.155 1.00 0.00 O ATOM 0 H GLY A 789 -11.696 -11.266 5.549 1.00 0.00 H new ATOM 0 HA2 GLY A 789 -14.073 -12.833 5.579 1.00 0.00 H new ATOM 0 HA3 GLY A 789 -13.615 -11.558 6.690 1.00 0.00 H new TER 573 GLY A 789 HETATM 574 ZN ZN A 201 5.243 -2.234 1.791 1.00 0.00 ZN