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 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 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= -0.339 X(o=-0.34,f=-0.27) USER MOD Single : A 765 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 768 THR OG1 : rot 180:sc= 0.027 USER MOD Single : A 769 GLN : amide:sc= -0.154 K(o=-0.15,f=-1.9) USER MOD Single : A 770 SER OG : rot 180:sc= 0 USER MOD Single : A 771 SER OG : rot 180:sc= 0 USER MOD Single : A 772 CYS SG : rot 180:sc= 0 USER MOD Single : A 774 SER OG : rot 180:sc= 0 USER MOD Single : A 781 THR OG1 : rot 180:sc= -0.0431 USER MOD Single : A 784 SER OG : rot 107:sc= 0.54 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 2.169 18.956 -20.166 1.00 0.00 N ATOM 2 CA GLY A 748 3.260 18.100 -19.739 1.00 0.00 C ATOM 3 C GLY A 748 4.545 18.380 -20.493 1.00 0.00 C ATOM 4 O GLY A 748 4.526 18.610 -21.702 1.00 0.00 O ATOM 0 HA2 GLY A 748 3.431 18.239 -18.672 1.00 0.00 H new ATOM 0 HA3 GLY A 748 2.977 17.057 -19.883 1.00 0.00 H new ATOM 8 N SER A 749 5.665 18.363 -19.777 1.00 0.00 N ATOM 9 CA SER A 749 6.965 18.622 -20.384 1.00 0.00 C ATOM 10 C SER A 749 7.962 17.525 -20.023 1.00 0.00 C ATOM 11 O SER A 749 7.642 16.603 -19.272 1.00 0.00 O ATOM 12 CB SER A 749 7.500 19.982 -19.934 1.00 0.00 C ATOM 13 OG SER A 749 6.983 21.026 -20.740 1.00 0.00 O ATOM 0 H SER A 749 5.698 18.172 -18.775 1.00 0.00 H new ATOM 0 HA SER A 749 6.837 18.630 -21.466 1.00 0.00 H new ATOM 0 HB2 SER A 749 7.231 20.155 -18.892 1.00 0.00 H new ATOM 0 HB3 SER A 749 8.589 19.983 -19.986 1.00 0.00 H new ATOM 0 HG SER A 749 7.339 21.885 -20.431 1.00 0.00 H new ATOM 19 N SER A 750 9.172 17.632 -20.562 1.00 0.00 N ATOM 20 CA SER A 750 10.216 16.649 -20.301 1.00 0.00 C ATOM 21 C SER A 750 11.471 17.321 -19.754 1.00 0.00 C ATOM 22 O SER A 750 12.187 18.010 -20.480 1.00 0.00 O ATOM 23 CB SER A 750 10.552 15.878 -21.579 1.00 0.00 C ATOM 24 OG SER A 750 9.374 15.458 -22.245 1.00 0.00 O ATOM 0 H SER A 750 9.454 18.391 -21.183 1.00 0.00 H new ATOM 0 HA SER A 750 9.843 15.951 -19.552 1.00 0.00 H new ATOM 0 HB2 SER A 750 11.144 16.508 -22.243 1.00 0.00 H new ATOM 0 HB3 SER A 750 11.164 15.010 -21.334 1.00 0.00 H new ATOM 0 HG SER A 750 9.615 14.969 -23.059 1.00 0.00 H new ATOM 30 N GLY A 751 11.733 17.116 -18.467 1.00 0.00 N ATOM 31 CA GLY A 751 12.902 17.708 -17.843 1.00 0.00 C ATOM 32 C GLY A 751 12.877 17.588 -16.332 1.00 0.00 C ATOM 33 O GLY A 751 13.892 17.274 -15.711 1.00 0.00 O ATOM 0 H GLY A 751 11.156 16.550 -17.845 1.00 0.00 H new ATOM 0 HA2 GLY A 751 13.800 17.224 -18.228 1.00 0.00 H new ATOM 0 HA3 GLY A 751 12.964 18.760 -18.120 1.00 0.00 H new ATOM 37 N SER A 752 11.714 17.839 -15.739 1.00 0.00 N ATOM 38 CA SER A 752 11.563 17.762 -14.291 1.00 0.00 C ATOM 39 C SER A 752 10.463 16.775 -13.911 1.00 0.00 C ATOM 40 O SER A 752 9.398 17.168 -13.435 1.00 0.00 O ATOM 41 CB SER A 752 11.244 19.144 -13.716 1.00 0.00 C ATOM 42 OG SER A 752 11.510 19.191 -12.325 1.00 0.00 O ATOM 0 H SER A 752 10.863 18.097 -16.239 1.00 0.00 H new ATOM 0 HA SER A 752 12.505 17.410 -13.871 1.00 0.00 H new ATOM 0 HB2 SER A 752 11.838 19.901 -14.229 1.00 0.00 H new ATOM 0 HB3 SER A 752 10.196 19.384 -13.897 1.00 0.00 H new ATOM 0 HG SER A 752 11.300 20.084 -11.982 1.00 0.00 H new ATOM 48 N SER A 753 10.730 15.490 -14.126 1.00 0.00 N ATOM 49 CA SER A 753 9.763 14.446 -13.810 1.00 0.00 C ATOM 50 C SER A 753 9.586 14.307 -12.301 1.00 0.00 C ATOM 51 O SER A 753 10.410 14.784 -11.522 1.00 0.00 O ATOM 52 CB SER A 753 10.209 13.110 -14.408 1.00 0.00 C ATOM 53 OG SER A 753 11.177 12.481 -13.586 1.00 0.00 O ATOM 0 H SER A 753 11.608 15.148 -14.517 1.00 0.00 H new ATOM 0 HA SER A 753 8.805 14.729 -14.246 1.00 0.00 H new ATOM 0 HB2 SER A 753 9.346 12.455 -14.526 1.00 0.00 H new ATOM 0 HB3 SER A 753 10.623 13.273 -15.403 1.00 0.00 H new ATOM 0 HG SER A 753 11.444 11.629 -13.989 1.00 0.00 H new ATOM 59 N GLY A 754 8.504 13.648 -11.896 1.00 0.00 N ATOM 60 CA GLY A 754 8.237 13.458 -10.483 1.00 0.00 C ATOM 61 C GLY A 754 9.350 12.706 -9.779 1.00 0.00 C ATOM 62 O GLY A 754 9.858 11.711 -10.296 1.00 0.00 O ATOM 0 H GLY A 754 7.808 13.243 -12.522 1.00 0.00 H new ATOM 0 HA2 GLY A 754 8.102 14.430 -10.008 1.00 0.00 H new ATOM 0 HA3 GLY A 754 7.301 12.912 -10.363 1.00 0.00 H new ATOM 66 N GLU A 755 9.730 13.183 -8.598 1.00 0.00 N ATOM 67 CA GLU A 755 10.792 12.549 -7.825 1.00 0.00 C ATOM 68 C GLU A 755 10.237 11.931 -6.545 1.00 0.00 C ATOM 69 O GLU A 755 10.250 12.556 -5.484 1.00 0.00 O ATOM 70 CB GLU A 755 11.881 13.568 -7.482 1.00 0.00 C ATOM 71 CG GLU A 755 13.122 12.947 -6.864 1.00 0.00 C ATOM 72 CD GLU A 755 14.111 13.986 -6.374 1.00 0.00 C ATOM 73 OE1 GLU A 755 13.785 14.708 -5.408 1.00 0.00 O ATOM 74 OE2 GLU A 755 15.213 14.077 -6.956 1.00 0.00 O ATOM 0 H GLU A 755 9.319 14.005 -8.156 1.00 0.00 H new ATOM 0 HA GLU A 755 11.226 11.755 -8.433 1.00 0.00 H new ATOM 0 HB2 GLU A 755 12.165 14.102 -8.388 1.00 0.00 H new ATOM 0 HB3 GLU A 755 11.472 14.306 -6.792 1.00 0.00 H new ATOM 0 HG2 GLU A 755 12.828 12.309 -6.031 1.00 0.00 H new ATOM 0 HG3 GLU A 755 13.608 12.306 -7.600 1.00 0.00 H new ATOM 81 N LYS A 756 9.751 10.699 -6.652 1.00 0.00 N ATOM 82 CA LYS A 756 9.193 9.994 -5.505 1.00 0.00 C ATOM 83 C LYS A 756 9.837 8.620 -5.344 1.00 0.00 C ATOM 84 O LYS A 756 9.201 7.584 -5.537 1.00 0.00 O ATOM 85 CB LYS A 756 7.678 9.843 -5.660 1.00 0.00 C ATOM 86 CG LYS A 756 6.892 11.034 -5.140 1.00 0.00 C ATOM 87 CD LYS A 756 6.789 12.134 -6.184 1.00 0.00 C ATOM 88 CE LYS A 756 5.601 13.045 -5.920 1.00 0.00 C ATOM 89 NZ LYS A 756 5.755 13.803 -4.647 1.00 0.00 N ATOM 0 H LYS A 756 9.732 10.168 -7.523 1.00 0.00 H new ATOM 0 HA LYS A 756 9.404 10.582 -4.612 1.00 0.00 H new ATOM 0 HB2 LYS A 756 7.442 9.695 -6.714 1.00 0.00 H new ATOM 0 HB3 LYS A 756 7.355 8.946 -5.132 1.00 0.00 H new ATOM 0 HG2 LYS A 756 5.892 10.712 -4.850 1.00 0.00 H new ATOM 0 HG3 LYS A 756 7.374 11.426 -4.244 1.00 0.00 H new ATOM 0 HD2 LYS A 756 7.707 12.722 -6.185 1.00 0.00 H new ATOM 0 HD3 LYS A 756 6.694 11.689 -7.174 1.00 0.00 H new ATOM 0 HE2 LYS A 756 5.489 13.745 -6.748 1.00 0.00 H new ATOM 0 HE3 LYS A 756 4.689 12.450 -5.880 1.00 0.00 H new ATOM 0 HZ1 LYS A 756 4.925 14.412 -4.503 1.00 0.00 H new ATOM 0 HZ2 LYS A 756 5.836 13.136 -3.853 1.00 0.00 H new ATOM 0 HZ3 LYS A 756 6.612 14.391 -4.694 1.00 0.00 H new ATOM 103 N PRO A 757 11.128 8.610 -4.981 1.00 0.00 N ATOM 104 CA PRO A 757 11.885 7.370 -4.785 1.00 0.00 C ATOM 105 C PRO A 757 11.508 6.660 -3.489 1.00 0.00 C ATOM 106 O PRO A 757 10.597 7.086 -2.779 1.00 0.00 O ATOM 107 CB PRO A 757 13.339 7.847 -4.729 1.00 0.00 C ATOM 108 CG PRO A 757 13.257 9.258 -4.257 1.00 0.00 C ATOM 109 CD PRO A 757 11.948 9.808 -4.734 1.00 0.00 C ATOM 0 HA PRO A 757 11.690 6.644 -5.575 1.00 0.00 H new ATOM 0 HB2 PRO A 757 13.930 7.235 -4.048 1.00 0.00 H new ATOM 0 HB3 PRO A 757 13.814 7.784 -5.708 1.00 0.00 H new ATOM 0 HG2 PRO A 757 13.321 9.305 -3.170 1.00 0.00 H new ATOM 0 HG3 PRO A 757 14.087 9.844 -4.651 1.00 0.00 H new ATOM 0 HD2 PRO A 757 11.492 10.457 -3.987 1.00 0.00 H new ATOM 0 HD3 PRO A 757 12.071 10.402 -5.640 1.00 0.00 H new ATOM 117 N TYR A 758 12.215 5.577 -3.187 1.00 0.00 N ATOM 118 CA TYR A 758 11.953 4.806 -1.977 1.00 0.00 C ATOM 119 C TYR A 758 10.545 4.219 -1.999 1.00 0.00 C ATOM 120 O TYR A 758 9.891 4.102 -0.963 1.00 0.00 O ATOM 121 CB TYR A 758 12.131 5.686 -0.738 1.00 0.00 C ATOM 122 CG TYR A 758 13.417 6.481 -0.739 1.00 0.00 C ATOM 123 CD1 TYR A 758 14.651 5.843 -0.777 1.00 0.00 C ATOM 124 CD2 TYR A 758 13.398 7.870 -0.704 1.00 0.00 C ATOM 125 CE1 TYR A 758 15.828 6.565 -0.777 1.00 0.00 C ATOM 126 CE2 TYR A 758 14.571 8.600 -0.706 1.00 0.00 C ATOM 127 CZ TYR A 758 15.783 7.943 -0.742 1.00 0.00 C ATOM 128 OH TYR A 758 16.954 8.666 -0.744 1.00 0.00 O ATOM 0 H TYR A 758 12.974 5.213 -3.763 1.00 0.00 H new ATOM 0 HA TYR A 758 12.669 3.985 -1.938 1.00 0.00 H new ATOM 0 HB2 TYR A 758 11.289 6.374 -0.667 1.00 0.00 H new ATOM 0 HB3 TYR A 758 12.104 5.056 0.151 1.00 0.00 H new ATOM 0 HD1 TYR A 758 14.690 4.764 -0.807 1.00 0.00 H new ATOM 0 HD2 TYR A 758 12.451 8.388 -0.675 1.00 0.00 H new ATOM 0 HE1 TYR A 758 16.779 6.053 -0.804 1.00 0.00 H new ATOM 0 HE2 TYR A 758 14.539 9.679 -0.680 1.00 0.00 H new ATOM 0 HH TYR A 758 16.747 9.624 -0.718 1.00 0.00 H new ATOM 138 N VAL A 759 10.084 3.850 -3.190 1.00 0.00 N ATOM 139 CA VAL A 759 8.754 3.272 -3.350 1.00 0.00 C ATOM 140 C VAL A 759 8.710 1.841 -2.826 1.00 0.00 C ATOM 141 O VAL A 759 9.390 0.956 -3.347 1.00 0.00 O ATOM 142 CB VAL A 759 8.312 3.281 -4.825 1.00 0.00 C ATOM 143 CG1 VAL A 759 6.896 2.743 -4.962 1.00 0.00 C ATOM 144 CG2 VAL A 759 8.416 4.684 -5.404 1.00 0.00 C ATOM 0 H VAL A 759 10.612 3.941 -4.058 1.00 0.00 H new ATOM 0 HA VAL A 759 8.069 3.889 -2.769 1.00 0.00 H new ATOM 0 HB VAL A 759 8.979 2.629 -5.389 1.00 0.00 H new ATOM 0 HG11 VAL A 759 6.601 2.757 -6.011 1.00 0.00 H new ATOM 0 HG12 VAL A 759 6.858 1.720 -4.588 1.00 0.00 H new ATOM 0 HG13 VAL A 759 6.213 3.366 -4.385 1.00 0.00 H new ATOM 0 HG21 VAL A 759 8.100 4.672 -6.447 1.00 0.00 H new ATOM 0 HG22 VAL A 759 7.774 5.360 -4.838 1.00 0.00 H new ATOM 0 HG23 VAL A 759 9.449 5.028 -5.342 1.00 0.00 H new ATOM 154 N CYS A 760 7.906 1.620 -1.792 1.00 0.00 N ATOM 155 CA CYS A 760 7.771 0.296 -1.197 1.00 0.00 C ATOM 156 C CYS A 760 7.340 -0.729 -2.241 1.00 0.00 C ATOM 157 O CYS A 760 6.184 -0.750 -2.663 1.00 0.00 O ATOM 158 CB CYS A 760 6.759 0.330 -0.050 1.00 0.00 C ATOM 159 SG CYS A 760 6.976 -1.003 1.173 1.00 0.00 S ATOM 0 H CYS A 760 7.338 2.341 -1.348 1.00 0.00 H new ATOM 0 HA CYS A 760 8.744 0.001 -0.805 1.00 0.00 H new ATOM 0 HB2 CYS A 760 6.835 1.291 0.459 1.00 0.00 H new ATOM 0 HB3 CYS A 760 5.753 0.267 -0.465 1.00 0.00 H new ATOM 164 N GLN A 761 8.277 -1.577 -2.653 1.00 0.00 N ATOM 165 CA GLN A 761 7.993 -2.604 -3.648 1.00 0.00 C ATOM 166 C GLN A 761 7.479 -3.878 -2.984 1.00 0.00 C ATOM 167 O GLN A 761 6.756 -4.660 -3.599 1.00 0.00 O ATOM 168 CB GLN A 761 9.248 -2.912 -4.466 1.00 0.00 C ATOM 169 CG GLN A 761 8.974 -3.738 -5.712 1.00 0.00 C ATOM 170 CD GLN A 761 7.910 -3.122 -6.599 1.00 0.00 C ATOM 171 OE1 GLN A 761 6.969 -3.797 -7.020 1.00 0.00 O ATOM 172 NE2 GLN A 761 8.052 -1.834 -6.887 1.00 0.00 N ATOM 0 H GLN A 761 9.239 -1.573 -2.313 1.00 0.00 H new ATOM 0 HA GLN A 761 7.218 -2.225 -4.314 1.00 0.00 H new ATOM 0 HB2 GLN A 761 9.720 -1.974 -4.758 1.00 0.00 H new ATOM 0 HB3 GLN A 761 9.960 -3.445 -3.836 1.00 0.00 H new ATOM 0 HG2 GLN A 761 9.897 -3.847 -6.281 1.00 0.00 H new ATOM 0 HG3 GLN A 761 8.661 -4.740 -5.418 1.00 0.00 H new ATOM 0 HE21 GLN A 761 8.847 -1.313 -6.517 1.00 0.00 H new ATOM 0 HE22 GLN A 761 7.366 -1.365 -7.479 1.00 0.00 H new ATOM 181 N GLU A 762 7.858 -4.078 -1.726 1.00 0.00 N ATOM 182 CA GLU A 762 7.436 -5.258 -0.980 1.00 0.00 C ATOM 183 C GLU A 762 5.920 -5.425 -1.038 1.00 0.00 C ATOM 184 O GLU A 762 5.414 -6.520 -1.282 1.00 0.00 O ATOM 185 CB GLU A 762 7.894 -5.158 0.477 1.00 0.00 C ATOM 186 CG GLU A 762 9.328 -5.609 0.696 1.00 0.00 C ATOM 187 CD GLU A 762 10.290 -5.001 -0.305 1.00 0.00 C ATOM 188 OE1 GLU A 762 10.415 -3.758 -0.327 1.00 0.00 O ATOM 189 OE2 GLU A 762 10.918 -5.766 -1.066 1.00 0.00 O ATOM 0 H GLU A 762 8.456 -3.439 -1.202 1.00 0.00 H new ATOM 0 HA GLU A 762 7.898 -6.132 -1.440 1.00 0.00 H new ATOM 0 HB2 GLU A 762 7.792 -4.126 0.811 1.00 0.00 H new ATOM 0 HB3 GLU A 762 7.233 -5.762 1.099 1.00 0.00 H new ATOM 0 HG2 GLU A 762 9.640 -5.338 1.705 1.00 0.00 H new ATOM 0 HG3 GLU A 762 9.378 -6.696 0.628 1.00 0.00 H new ATOM 196 N CYS A 763 5.202 -4.330 -0.812 1.00 0.00 N ATOM 197 CA CYS A 763 3.744 -4.353 -0.837 1.00 0.00 C ATOM 198 C CYS A 763 3.208 -3.556 -2.022 1.00 0.00 C ATOM 199 O CYS A 763 2.131 -3.844 -2.542 1.00 0.00 O ATOM 200 CB CYS A 763 3.182 -3.788 0.469 1.00 0.00 C ATOM 201 SG CYS A 763 3.552 -2.024 0.735 1.00 0.00 S ATOM 0 H CYS A 763 5.606 -3.416 -0.609 1.00 0.00 H new ATOM 0 HA CYS A 763 3.423 -5.389 -0.944 1.00 0.00 H new ATOM 0 HB2 CYS A 763 2.101 -3.927 0.477 1.00 0.00 H new ATOM 0 HB3 CYS A 763 3.584 -4.363 1.304 1.00 0.00 H new ATOM 206 N GLY A 764 3.968 -2.550 -2.445 1.00 0.00 N ATOM 207 CA GLY A 764 3.554 -1.726 -3.565 1.00 0.00 C ATOM 208 C GLY A 764 2.819 -0.476 -3.125 1.00 0.00 C ATOM 209 O GLY A 764 1.592 -0.407 -3.203 1.00 0.00 O ATOM 0 H GLY A 764 4.864 -2.291 -2.031 1.00 0.00 H new ATOM 0 HA2 GLY A 764 4.431 -1.442 -4.147 1.00 0.00 H new ATOM 0 HA3 GLY A 764 2.910 -2.310 -4.223 1.00 0.00 H new ATOM 213 N LYS A 765 3.570 0.516 -2.659 1.00 0.00 N ATOM 214 CA LYS A 765 2.984 1.772 -2.203 1.00 0.00 C ATOM 215 C LYS A 765 4.038 2.873 -2.140 1.00 0.00 C ATOM 216 O LYS A 765 4.969 2.808 -1.337 1.00 0.00 O ATOM 217 CB LYS A 765 2.340 1.587 -0.828 1.00 0.00 C ATOM 218 CG LYS A 765 1.156 2.507 -0.582 1.00 0.00 C ATOM 219 CD LYS A 765 0.299 2.017 0.572 1.00 0.00 C ATOM 220 CE LYS A 765 -1.143 2.479 0.432 1.00 0.00 C ATOM 221 NZ LYS A 765 -1.964 1.507 -0.341 1.00 0.00 N ATOM 0 H LYS A 765 4.587 0.475 -2.587 1.00 0.00 H new ATOM 0 HA LYS A 765 2.218 2.069 -2.919 1.00 0.00 H new ATOM 0 HB2 LYS A 765 2.013 0.552 -0.726 1.00 0.00 H new ATOM 0 HB3 LYS A 765 3.091 1.762 -0.058 1.00 0.00 H new ATOM 0 HG2 LYS A 765 1.515 3.514 -0.368 1.00 0.00 H new ATOM 0 HG3 LYS A 765 0.549 2.570 -1.485 1.00 0.00 H new ATOM 0 HD2 LYS A 765 0.331 0.928 0.613 1.00 0.00 H new ATOM 0 HD3 LYS A 765 0.710 2.384 1.513 1.00 0.00 H new ATOM 0 HE2 LYS A 765 -1.578 2.616 1.422 1.00 0.00 H new ATOM 0 HE3 LYS A 765 -1.167 3.450 -0.064 1.00 0.00 H new ATOM 0 HZ1 LYS A 765 -2.940 1.858 -0.414 1.00 0.00 H new ATOM 0 HZ2 LYS A 765 -1.564 1.395 -1.294 1.00 0.00 H new ATOM 0 HZ3 LYS A 765 -1.962 0.587 0.145 1.00 0.00 H new ATOM 235 N ALA A 766 3.885 3.882 -2.990 1.00 0.00 N ATOM 236 CA ALA A 766 4.821 4.999 -3.027 1.00 0.00 C ATOM 237 C ALA A 766 4.537 5.991 -1.905 1.00 0.00 C ATOM 238 O ALA A 766 3.507 5.909 -1.236 1.00 0.00 O ATOM 239 CB ALA A 766 4.759 5.695 -4.379 1.00 0.00 C ATOM 0 H ALA A 766 3.121 3.949 -3.663 1.00 0.00 H new ATOM 0 HA ALA A 766 5.826 4.604 -2.880 1.00 0.00 H new ATOM 0 HB1 ALA A 766 5.463 6.527 -4.393 1.00 0.00 H new ATOM 0 HB2 ALA A 766 5.019 4.986 -5.165 1.00 0.00 H new ATOM 0 HB3 ALA A 766 3.750 6.071 -4.549 1.00 0.00 H new ATOM 245 N PHE A 767 5.458 6.928 -1.703 1.00 0.00 N ATOM 246 CA PHE A 767 5.307 7.935 -0.659 1.00 0.00 C ATOM 247 C PHE A 767 5.865 9.280 -1.117 1.00 0.00 C ATOM 248 O PHE A 767 6.480 9.382 -2.179 1.00 0.00 O ATOM 249 CB PHE A 767 6.016 7.486 0.620 1.00 0.00 C ATOM 250 CG PHE A 767 5.264 6.432 1.383 1.00 0.00 C ATOM 251 CD1 PHE A 767 3.988 6.683 1.862 1.00 0.00 C ATOM 252 CD2 PHE A 767 5.834 5.192 1.621 1.00 0.00 C ATOM 253 CE1 PHE A 767 3.294 5.716 2.564 1.00 0.00 C ATOM 254 CE2 PHE A 767 5.144 4.221 2.322 1.00 0.00 C ATOM 255 CZ PHE A 767 3.873 4.484 2.795 1.00 0.00 C ATOM 0 H PHE A 767 6.316 7.011 -2.248 1.00 0.00 H new ATOM 0 HA PHE A 767 4.243 8.052 -0.454 1.00 0.00 H new ATOM 0 HB2 PHE A 767 7.003 7.103 0.363 1.00 0.00 H new ATOM 0 HB3 PHE A 767 6.168 8.352 1.265 1.00 0.00 H new ATOM 0 HD1 PHE A 767 3.531 7.645 1.685 1.00 0.00 H new ATOM 0 HD2 PHE A 767 6.828 4.982 1.255 1.00 0.00 H new ATOM 0 HE1 PHE A 767 2.300 5.924 2.932 1.00 0.00 H new ATOM 0 HE2 PHE A 767 5.598 3.257 2.500 1.00 0.00 H new ATOM 0 HZ PHE A 767 3.333 3.727 3.345 1.00 0.00 H new ATOM 265 N THR A 768 5.645 10.312 -0.308 1.00 0.00 N ATOM 266 CA THR A 768 6.124 11.650 -0.629 1.00 0.00 C ATOM 267 C THR A 768 7.471 11.925 0.028 1.00 0.00 C ATOM 268 O THR A 768 8.384 12.455 -0.605 1.00 0.00 O ATOM 269 CB THR A 768 5.118 12.728 -0.182 1.00 0.00 C ATOM 270 OG1 THR A 768 4.565 12.384 1.093 1.00 0.00 O ATOM 271 CG2 THR A 768 3.999 12.880 -1.202 1.00 0.00 C ATOM 0 H THR A 768 5.138 10.246 0.575 1.00 0.00 H new ATOM 0 HA THR A 768 6.236 11.694 -1.712 1.00 0.00 H new ATOM 0 HB THR A 768 5.648 13.677 -0.103 1.00 0.00 H new ATOM 0 HG1 THR A 768 3.928 13.075 1.371 1.00 0.00 H new ATOM 0 HG21 THR A 768 3.301 13.646 -0.865 1.00 0.00 H new ATOM 0 HG22 THR A 768 4.421 13.171 -2.164 1.00 0.00 H new ATOM 0 HG23 THR A 768 3.473 11.932 -1.309 1.00 0.00 H new ATOM 279 N GLN A 769 7.589 11.561 1.301 1.00 0.00 N ATOM 280 CA GLN A 769 8.827 11.769 2.044 1.00 0.00 C ATOM 281 C GLN A 769 9.596 10.461 2.196 1.00 0.00 C ATOM 282 O GLN A 769 9.063 9.382 1.939 1.00 0.00 O ATOM 283 CB GLN A 769 8.526 12.362 3.421 1.00 0.00 C ATOM 284 CG GLN A 769 7.905 13.748 3.365 1.00 0.00 C ATOM 285 CD GLN A 769 8.869 14.799 2.852 1.00 0.00 C ATOM 286 OE1 GLN A 769 10.057 14.531 2.668 1.00 0.00 O ATOM 287 NE2 GLN A 769 8.363 16.004 2.617 1.00 0.00 N ATOM 0 H GLN A 769 6.843 11.121 1.839 1.00 0.00 H new ATOM 0 HA GLN A 769 9.446 12.469 1.483 1.00 0.00 H new ATOM 0 HB2 GLN A 769 7.852 11.693 3.956 1.00 0.00 H new ATOM 0 HB3 GLN A 769 9.451 12.410 3.996 1.00 0.00 H new ATOM 0 HG2 GLN A 769 7.026 13.722 2.722 1.00 0.00 H new ATOM 0 HG3 GLN A 769 7.563 14.029 4.361 1.00 0.00 H new ATOM 0 HE21 GLN A 769 7.373 16.183 2.783 1.00 0.00 H new ATOM 0 HE22 GLN A 769 8.965 16.751 2.270 1.00 0.00 H new ATOM 296 N SER A 770 10.853 10.565 2.617 1.00 0.00 N ATOM 297 CA SER A 770 11.698 9.391 2.800 1.00 0.00 C ATOM 298 C SER A 770 11.703 8.948 4.260 1.00 0.00 C ATOM 299 O SER A 770 12.662 8.336 4.731 1.00 0.00 O ATOM 300 CB SER A 770 13.126 9.687 2.340 1.00 0.00 C ATOM 301 OG SER A 770 13.777 10.572 3.235 1.00 0.00 O ATOM 0 H SER A 770 11.308 11.451 2.838 1.00 0.00 H new ATOM 0 HA SER A 770 11.290 8.582 2.194 1.00 0.00 H new ATOM 0 HB2 SER A 770 13.689 8.756 2.270 1.00 0.00 H new ATOM 0 HB3 SER A 770 13.107 10.124 1.342 1.00 0.00 H new ATOM 0 HG SER A 770 14.689 10.744 2.920 1.00 0.00 H new ATOM 307 N SER A 771 10.625 9.262 4.971 1.00 0.00 N ATOM 308 CA SER A 771 10.505 8.900 6.378 1.00 0.00 C ATOM 309 C SER A 771 9.364 7.910 6.590 1.00 0.00 C ATOM 310 O SER A 771 9.387 7.111 7.527 1.00 0.00 O ATOM 311 CB SER A 771 10.276 10.150 7.230 1.00 0.00 C ATOM 312 OG SER A 771 11.502 10.792 7.535 1.00 0.00 O ATOM 0 H SER A 771 9.822 9.767 4.595 1.00 0.00 H new ATOM 0 HA SER A 771 11.436 8.424 6.686 1.00 0.00 H new ATOM 0 HB2 SER A 771 9.622 10.841 6.698 1.00 0.00 H new ATOM 0 HB3 SER A 771 9.766 9.876 8.154 1.00 0.00 H new ATOM 0 HG SER A 771 11.328 11.589 8.079 1.00 0.00 H new ATOM 318 N CYS A 772 8.368 7.969 5.713 1.00 0.00 N ATOM 319 CA CYS A 772 7.217 7.078 5.803 1.00 0.00 C ATOM 320 C CYS A 772 7.638 5.624 5.614 1.00 0.00 C ATOM 321 O CYS A 772 7.239 4.746 6.379 1.00 0.00 O ATOM 322 CB CYS A 772 6.168 7.458 4.757 1.00 0.00 C ATOM 323 SG CYS A 772 5.199 8.924 5.183 1.00 0.00 S ATOM 0 H CYS A 772 8.334 8.624 4.932 1.00 0.00 H new ATOM 0 HA CYS A 772 6.783 7.185 6.797 1.00 0.00 H new ATOM 0 HB2 CYS A 772 6.667 7.630 3.803 1.00 0.00 H new ATOM 0 HB3 CYS A 772 5.490 6.616 4.615 1.00 0.00 H new ATOM 0 HG CYS A 772 4.341 9.167 4.237 1.00 0.00 H new ATOM 329 N LEU A 773 8.445 5.377 4.588 1.00 0.00 N ATOM 330 CA LEU A 773 8.920 4.028 4.296 1.00 0.00 C ATOM 331 C LEU A 773 9.602 3.415 5.514 1.00 0.00 C ATOM 332 O LEU A 773 9.623 2.195 5.678 1.00 0.00 O ATOM 333 CB LEU A 773 9.889 4.053 3.113 1.00 0.00 C ATOM 334 CG LEU A 773 10.635 2.749 2.829 1.00 0.00 C ATOM 335 CD1 LEU A 773 9.679 1.692 2.299 1.00 0.00 C ATOM 336 CD2 LEU A 773 11.769 2.987 1.843 1.00 0.00 C ATOM 0 H LEU A 773 8.784 6.092 3.945 1.00 0.00 H new ATOM 0 HA LEU A 773 8.057 3.413 4.039 1.00 0.00 H new ATOM 0 HB2 LEU A 773 9.332 4.332 2.219 1.00 0.00 H new ATOM 0 HB3 LEU A 773 10.624 4.838 3.288 1.00 0.00 H new ATOM 0 HG LEU A 773 11.063 2.387 3.764 1.00 0.00 H new ATOM 0 HD11 LEU A 773 10.228 0.771 2.103 1.00 0.00 H new ATOM 0 HD12 LEU A 773 8.902 1.501 3.039 1.00 0.00 H new ATOM 0 HD13 LEU A 773 9.221 2.046 1.375 1.00 0.00 H new ATOM 0 HD21 LEU A 773 12.289 2.048 1.653 1.00 0.00 H new ATOM 0 HD22 LEU A 773 11.363 3.373 0.908 1.00 0.00 H new ATOM 0 HD23 LEU A 773 12.469 3.711 2.261 1.00 0.00 H new ATOM 348 N SER A 774 10.158 4.270 6.368 1.00 0.00 N ATOM 349 CA SER A 774 10.843 3.812 7.571 1.00 0.00 C ATOM 350 C SER A 774 9.884 3.057 8.487 1.00 0.00 C ATOM 351 O SER A 774 9.997 1.843 8.656 1.00 0.00 O ATOM 352 CB SER A 774 11.453 4.999 8.319 1.00 0.00 C ATOM 353 OG SER A 774 12.312 4.561 9.357 1.00 0.00 O ATOM 0 H SER A 774 10.147 5.283 6.249 1.00 0.00 H new ATOM 0 HA SER A 774 11.641 3.133 7.270 1.00 0.00 H new ATOM 0 HB2 SER A 774 12.010 5.625 7.622 1.00 0.00 H new ATOM 0 HB3 SER A 774 10.658 5.617 8.737 1.00 0.00 H new ATOM 0 HG SER A 774 12.690 5.338 9.818 1.00 0.00 H new ATOM 359 N ILE A 775 8.942 3.786 9.077 1.00 0.00 N ATOM 360 CA ILE A 775 7.964 3.186 9.975 1.00 0.00 C ATOM 361 C ILE A 775 7.040 2.233 9.224 1.00 0.00 C ATOM 362 O ILE A 775 6.495 1.293 9.804 1.00 0.00 O ATOM 363 CB ILE A 775 7.113 4.260 10.679 1.00 0.00 C ATOM 364 CG1 ILE A 775 8.015 5.264 11.400 1.00 0.00 C ATOM 365 CG2 ILE A 775 6.145 3.612 11.657 1.00 0.00 C ATOM 366 CD1 ILE A 775 7.278 6.486 11.902 1.00 0.00 C ATOM 0 H ILE A 775 8.836 4.792 8.949 1.00 0.00 H new ATOM 0 HA ILE A 775 8.525 2.629 10.725 1.00 0.00 H new ATOM 0 HB ILE A 775 6.534 4.795 9.926 1.00 0.00 H new ATOM 0 HG12 ILE A 775 8.496 4.768 12.243 1.00 0.00 H new ATOM 0 HG13 ILE A 775 8.807 5.581 10.722 1.00 0.00 H new ATOM 0 HG21 ILE A 775 5.551 4.384 12.146 1.00 0.00 H new ATOM 0 HG22 ILE A 775 5.484 2.932 11.119 1.00 0.00 H new ATOM 0 HG23 ILE A 775 6.705 3.055 12.408 1.00 0.00 H new ATOM 0 HD11 ILE A 775 7.979 7.154 12.402 1.00 0.00 H new ATOM 0 HD12 ILE A 775 6.820 7.006 11.061 1.00 0.00 H new ATOM 0 HD13 ILE A 775 6.503 6.180 12.605 1.00 0.00 H new ATOM 378 N HIS A 776 6.868 2.481 7.929 1.00 0.00 N ATOM 379 CA HIS A 776 6.012 1.644 7.098 1.00 0.00 C ATOM 380 C HIS A 776 6.626 0.260 6.905 1.00 0.00 C ATOM 381 O HIS A 776 5.916 -0.718 6.672 1.00 0.00 O ATOM 382 CB HIS A 776 5.780 2.305 5.739 1.00 0.00 C ATOM 383 CG HIS A 776 5.023 1.445 4.775 1.00 0.00 C ATOM 384 ND1 HIS A 776 3.688 1.138 4.929 1.00 0.00 N ATOM 385 CD2 HIS A 776 5.421 0.827 3.638 1.00 0.00 C ATOM 386 CE1 HIS A 776 3.298 0.366 3.929 1.00 0.00 C ATOM 387 NE2 HIS A 776 4.331 0.163 3.132 1.00 0.00 N ATOM 0 H HIS A 776 7.310 3.255 7.433 1.00 0.00 H new ATOM 0 HA HIS A 776 5.055 1.530 7.607 1.00 0.00 H new ATOM 0 HB2 HIS A 776 5.235 3.237 5.886 1.00 0.00 H new ATOM 0 HB3 HIS A 776 6.744 2.565 5.302 1.00 0.00 H new ATOM 0 HD1 HIS A 776 3.094 1.457 5.695 1.00 0.00 H new ATOM 0 HD2 HIS A 776 6.412 0.852 3.209 1.00 0.00 H new ATOM 0 HE1 HIS A 776 2.304 -0.031 3.788 1.00 0.00 H new ATOM 395 N ARG A 777 7.949 0.187 7.002 1.00 0.00 N ATOM 396 CA ARG A 777 8.659 -1.075 6.837 1.00 0.00 C ATOM 397 C ARG A 777 8.795 -1.802 8.172 1.00 0.00 C ATOM 398 O ARG A 777 8.887 -3.029 8.216 1.00 0.00 O ATOM 399 CB ARG A 777 10.044 -0.831 6.234 1.00 0.00 C ATOM 400 CG ARG A 777 10.044 -0.772 4.715 1.00 0.00 C ATOM 401 CD ARG A 777 11.454 -0.631 4.163 1.00 0.00 C ATOM 402 NE ARG A 777 12.360 -1.636 4.713 1.00 0.00 N ATOM 403 CZ ARG A 777 12.378 -2.904 4.317 1.00 0.00 C ATOM 404 NH1 ARG A 777 11.544 -3.319 3.373 1.00 0.00 N ATOM 405 NH2 ARG A 777 13.233 -3.759 4.864 1.00 0.00 N ATOM 0 H ARG A 777 8.551 0.988 7.194 1.00 0.00 H new ATOM 0 HA ARG A 777 8.080 -1.702 6.159 1.00 0.00 H new ATOM 0 HB2 ARG A 777 10.442 0.105 6.626 1.00 0.00 H new ATOM 0 HB3 ARG A 777 10.717 -1.624 6.559 1.00 0.00 H new ATOM 0 HG2 ARG A 777 9.584 -1.676 4.315 1.00 0.00 H new ATOM 0 HG3 ARG A 777 9.436 0.069 4.382 1.00 0.00 H new ATOM 0 HD2 ARG A 777 11.429 -0.721 3.077 1.00 0.00 H new ATOM 0 HD3 ARG A 777 11.835 0.364 4.392 1.00 0.00 H new ATOM 0 HE ARG A 777 13.014 -1.349 5.441 1.00 0.00 H new ATOM 0 HH11 ARG A 777 10.887 -2.664 2.949 1.00 0.00 H new ATOM 0 HH12 ARG A 777 11.560 -4.293 3.071 1.00 0.00 H new ATOM 0 HH21 ARG A 777 13.877 -3.443 5.589 1.00 0.00 H new ATOM 0 HH22 ARG A 777 13.246 -4.732 4.559 1.00 0.00 H new ATOM 419 N ARG A 778 8.808 -1.036 9.258 1.00 0.00 N ATOM 420 CA ARG A 778 8.934 -1.606 10.594 1.00 0.00 C ATOM 421 C ARG A 778 7.832 -2.629 10.855 1.00 0.00 C ATOM 422 O ARG A 778 8.016 -3.572 11.624 1.00 0.00 O ATOM 423 CB ARG A 778 8.880 -0.501 11.650 1.00 0.00 C ATOM 424 CG ARG A 778 10.084 0.426 11.625 1.00 0.00 C ATOM 425 CD ARG A 778 10.336 1.049 12.989 1.00 0.00 C ATOM 426 NE ARG A 778 11.554 1.856 13.005 1.00 0.00 N ATOM 427 CZ ARG A 778 12.778 1.340 12.995 1.00 0.00 C ATOM 428 NH1 ARG A 778 12.946 0.025 12.968 1.00 0.00 N ATOM 429 NH2 ARG A 778 13.836 2.140 13.011 1.00 0.00 N ATOM 0 H ARG A 778 8.733 -0.019 9.239 1.00 0.00 H new ATOM 0 HA ARG A 778 9.897 -2.112 10.657 1.00 0.00 H new ATOM 0 HB2 ARG A 778 7.975 0.088 11.501 1.00 0.00 H new ATOM 0 HB3 ARG A 778 8.804 -0.957 12.637 1.00 0.00 H new ATOM 0 HG2 ARG A 778 10.966 -0.131 11.309 1.00 0.00 H new ATOM 0 HG3 ARG A 778 9.923 1.213 10.888 1.00 0.00 H new ATOM 0 HD2 ARG A 778 9.485 1.671 13.266 1.00 0.00 H new ATOM 0 HD3 ARG A 778 10.413 0.262 13.739 1.00 0.00 H new ATOM 0 HE ARG A 778 11.459 2.871 13.025 1.00 0.00 H new ATOM 0 HH11 ARG A 778 12.134 -0.593 12.955 1.00 0.00 H new ATOM 0 HH12 ARG A 778 13.887 -0.369 12.960 1.00 0.00 H new ATOM 0 HH21 ARG A 778 13.710 3.152 13.031 1.00 0.00 H new ATOM 0 HH22 ARG A 778 14.776 1.743 13.003 1.00 0.00 H new ATOM 443 N VAL A 779 6.687 -2.435 10.209 1.00 0.00 N ATOM 444 CA VAL A 779 5.555 -3.340 10.370 1.00 0.00 C ATOM 445 C VAL A 779 5.641 -4.507 9.393 1.00 0.00 C ATOM 446 O VAL A 779 5.105 -5.586 9.649 1.00 0.00 O ATOM 447 CB VAL A 779 4.216 -2.608 10.162 1.00 0.00 C ATOM 448 CG1 VAL A 779 4.105 -1.420 11.105 1.00 0.00 C ATOM 449 CG2 VAL A 779 4.072 -2.165 8.714 1.00 0.00 C ATOM 0 H VAL A 779 6.519 -1.659 9.569 1.00 0.00 H new ATOM 0 HA VAL A 779 5.597 -3.720 11.391 1.00 0.00 H new ATOM 0 HB VAL A 779 3.404 -3.299 10.390 1.00 0.00 H new ATOM 0 HG11 VAL A 779 3.153 -0.915 10.944 1.00 0.00 H new ATOM 0 HG12 VAL A 779 4.161 -1.768 12.137 1.00 0.00 H new ATOM 0 HG13 VAL A 779 4.922 -0.724 10.912 1.00 0.00 H new ATOM 0 HG21 VAL A 779 3.120 -1.649 8.584 1.00 0.00 H new ATOM 0 HG22 VAL A 779 4.888 -1.490 8.457 1.00 0.00 H new ATOM 0 HG23 VAL A 779 4.104 -3.038 8.062 1.00 0.00 H new ATOM 459 N HIS A 780 6.320 -4.284 8.272 1.00 0.00 N ATOM 460 CA HIS A 780 6.478 -5.318 7.256 1.00 0.00 C ATOM 461 C HIS A 780 7.257 -6.509 7.808 1.00 0.00 C ATOM 462 O HIS A 780 6.719 -7.609 7.940 1.00 0.00 O ATOM 463 CB HIS A 780 7.192 -4.752 6.028 1.00 0.00 C ATOM 464 CG HIS A 780 6.263 -4.152 5.018 1.00 0.00 C ATOM 465 ND1 HIS A 780 5.058 -4.724 4.671 1.00 0.00 N ATOM 466 CD2 HIS A 780 6.367 -3.021 4.281 1.00 0.00 C ATOM 467 CE1 HIS A 780 4.462 -3.973 3.762 1.00 0.00 C ATOM 468 NE2 HIS A 780 5.236 -2.933 3.509 1.00 0.00 N ATOM 0 H HIS A 780 6.769 -3.397 8.045 1.00 0.00 H new ATOM 0 HA HIS A 780 5.485 -5.660 6.964 1.00 0.00 H new ATOM 0 HB2 HIS A 780 7.905 -3.993 6.350 1.00 0.00 H new ATOM 0 HB3 HIS A 780 7.767 -5.547 5.553 1.00 0.00 H new ATOM 0 HD1 HIS A 780 4.685 -5.592 5.056 1.00 0.00 H new ATOM 0 HD2 HIS A 780 7.187 -2.319 4.298 1.00 0.00 H new ATOM 0 HE1 HIS A 780 3.505 -4.175 3.304 1.00 0.00 H new ATOM 476 N THR A 781 8.527 -6.282 8.129 1.00 0.00 N ATOM 477 CA THR A 781 9.379 -7.335 8.664 1.00 0.00 C ATOM 478 C THR A 781 8.798 -7.913 9.949 1.00 0.00 C ATOM 479 O THR A 781 8.044 -7.246 10.656 1.00 0.00 O ATOM 480 CB THR A 781 10.802 -6.817 8.946 1.00 0.00 C ATOM 481 OG1 THR A 781 11.593 -7.853 9.539 1.00 0.00 O ATOM 482 CG2 THR A 781 10.765 -5.609 9.870 1.00 0.00 C ATOM 0 H THR A 781 8.988 -5.378 8.027 1.00 0.00 H new ATOM 0 HA THR A 781 9.428 -8.117 7.906 1.00 0.00 H new ATOM 0 HB THR A 781 11.249 -6.517 7.998 1.00 0.00 H new ATOM 0 HG1 THR A 781 12.496 -7.516 9.713 1.00 0.00 H new ATOM 0 HG21 THR A 781 11.781 -5.261 10.055 1.00 0.00 H new ATOM 0 HG22 THR A 781 10.187 -4.811 9.403 1.00 0.00 H new ATOM 0 HG23 THR A 781 10.300 -5.888 10.815 1.00 0.00 H new ATOM 490 N GLY A 782 9.154 -9.160 10.246 1.00 0.00 N ATOM 491 CA GLY A 782 8.658 -9.806 11.447 1.00 0.00 C ATOM 492 C GLY A 782 7.587 -10.837 11.150 1.00 0.00 C ATOM 493 O GLY A 782 7.871 -12.032 11.076 1.00 0.00 O ATOM 0 H GLY A 782 9.776 -9.733 9.677 1.00 0.00 H new ATOM 0 HA2 GLY A 782 9.487 -10.287 11.966 1.00 0.00 H new ATOM 0 HA3 GLY A 782 8.254 -9.051 12.122 1.00 0.00 H new ATOM 497 N GLU A 783 6.352 -10.374 10.980 1.00 0.00 N ATOM 498 CA GLU A 783 5.235 -11.266 10.692 1.00 0.00 C ATOM 499 C GLU A 783 4.767 -11.103 9.249 1.00 0.00 C ATOM 500 O GLU A 783 4.614 -9.985 8.757 1.00 0.00 O ATOM 501 CB GLU A 783 4.075 -10.992 11.651 1.00 0.00 C ATOM 502 CG GLU A 783 3.470 -9.607 11.494 1.00 0.00 C ATOM 503 CD GLU A 783 2.375 -9.564 10.446 1.00 0.00 C ATOM 504 OE1 GLU A 783 1.487 -10.442 10.481 1.00 0.00 O ATOM 505 OE2 GLU A 783 2.405 -8.653 9.593 1.00 0.00 O ATOM 0 H GLU A 783 6.100 -9.387 11.037 1.00 0.00 H new ATOM 0 HA GLU A 783 5.577 -12.292 10.831 1.00 0.00 H new ATOM 0 HB2 GLU A 783 3.298 -11.739 11.491 1.00 0.00 H new ATOM 0 HB3 GLU A 783 4.426 -11.112 12.676 1.00 0.00 H new ATOM 0 HG2 GLU A 783 3.064 -9.281 12.452 1.00 0.00 H new ATOM 0 HG3 GLU A 783 4.255 -8.900 11.223 1.00 0.00 H new ATOM 512 N SER A 784 4.542 -12.227 8.576 1.00 0.00 N ATOM 513 CA SER A 784 4.095 -12.210 7.188 1.00 0.00 C ATOM 514 C SER A 784 5.116 -11.509 6.297 1.00 0.00 C ATOM 515 O SER A 784 4.769 -10.944 5.261 1.00 0.00 O ATOM 516 CB SER A 784 2.738 -11.512 7.075 1.00 0.00 C ATOM 517 OG SER A 784 1.847 -11.965 8.080 1.00 0.00 O ATOM 0 H SER A 784 4.662 -13.160 8.969 1.00 0.00 H new ATOM 0 HA SER A 784 3.994 -13.242 6.852 1.00 0.00 H new ATOM 0 HB2 SER A 784 2.872 -10.434 7.162 1.00 0.00 H new ATOM 0 HB3 SER A 784 2.309 -11.702 6.091 1.00 0.00 H new ATOM 0 HG SER A 784 1.736 -11.266 8.758 1.00 0.00 H new ATOM 523 N GLY A 785 6.379 -11.549 6.710 1.00 0.00 N ATOM 524 CA GLY A 785 7.432 -10.914 5.940 1.00 0.00 C ATOM 525 C GLY A 785 8.692 -11.754 5.877 1.00 0.00 C ATOM 526 O GLY A 785 8.783 -12.821 6.485 1.00 0.00 O ATOM 0 H GLY A 785 6.692 -12.010 7.564 1.00 0.00 H new ATOM 0 HA2 GLY A 785 7.074 -10.725 4.928 1.00 0.00 H new ATOM 0 HA3 GLY A 785 7.667 -9.945 6.381 1.00 0.00 H new ATOM 530 N PRO A 786 9.693 -11.272 5.126 1.00 0.00 N ATOM 531 CA PRO A 786 10.972 -11.971 4.968 1.00 0.00 C ATOM 532 C PRO A 786 11.559 -12.417 6.303 1.00 0.00 C ATOM 533 O PRO A 786 11.702 -11.616 7.227 1.00 0.00 O ATOM 534 CB PRO A 786 11.872 -10.920 4.312 1.00 0.00 C ATOM 535 CG PRO A 786 10.934 -10.012 3.596 1.00 0.00 C ATOM 536 CD PRO A 786 9.654 -10.007 4.374 1.00 0.00 C ATOM 0 HA PRO A 786 10.867 -12.886 4.385 1.00 0.00 H new ATOM 0 HB2 PRO A 786 12.456 -10.379 5.056 1.00 0.00 H new ATOM 0 HB3 PRO A 786 12.581 -11.380 3.623 1.00 0.00 H new ATOM 0 HG2 PRO A 786 11.348 -9.006 3.527 1.00 0.00 H new ATOM 0 HG3 PRO A 786 10.765 -10.358 2.576 1.00 0.00 H new ATOM 0 HD2 PRO A 786 9.595 -9.147 5.041 1.00 0.00 H new ATOM 0 HD3 PRO A 786 8.786 -9.960 3.716 1.00 0.00 H new ATOM 544 N SER A 787 11.897 -13.699 6.397 1.00 0.00 N ATOM 545 CA SER A 787 12.465 -14.251 7.621 1.00 0.00 C ATOM 546 C SER A 787 13.892 -13.754 7.830 1.00 0.00 C ATOM 547 O SER A 787 14.303 -13.466 8.954 1.00 0.00 O ATOM 548 CB SER A 787 12.448 -15.780 7.572 1.00 0.00 C ATOM 549 OG SER A 787 13.390 -16.330 8.475 1.00 0.00 O ATOM 0 H SER A 787 11.787 -14.374 5.641 1.00 0.00 H new ATOM 0 HA SER A 787 11.855 -13.914 8.459 1.00 0.00 H new ATOM 0 HB2 SER A 787 11.450 -16.144 7.817 1.00 0.00 H new ATOM 0 HB3 SER A 787 12.671 -16.117 6.560 1.00 0.00 H new ATOM 0 HG SER A 787 13.358 -17.308 8.425 1.00 0.00 H new ATOM 555 N SER A 788 14.644 -13.656 6.738 1.00 0.00 N ATOM 556 CA SER A 788 16.026 -13.197 6.801 1.00 0.00 C ATOM 557 C SER A 788 16.092 -11.674 6.843 1.00 0.00 C ATOM 558 O SER A 788 17.019 -11.096 7.409 1.00 0.00 O ATOM 559 CB SER A 788 16.814 -13.720 5.598 1.00 0.00 C ATOM 560 OG SER A 788 16.440 -13.043 4.410 1.00 0.00 O ATOM 0 H SER A 788 14.319 -13.888 5.799 1.00 0.00 H new ATOM 0 HA SER A 788 16.471 -13.587 7.716 1.00 0.00 H new ATOM 0 HB2 SER A 788 17.882 -13.589 5.774 1.00 0.00 H new ATOM 0 HB3 SER A 788 16.639 -14.789 5.481 1.00 0.00 H new ATOM 0 HG SER A 788 16.959 -13.394 3.656 1.00 0.00 H new ATOM 566 N GLY A 789 15.099 -11.028 6.238 1.00 0.00 N ATOM 567 CA GLY A 789 15.062 -9.577 6.217 1.00 0.00 C ATOM 568 C GLY A 789 16.088 -8.984 5.272 1.00 0.00 C ATOM 569 O GLY A 789 16.105 -9.354 4.099 1.00 0.00 O ATOM 0 H GLY A 789 14.320 -11.484 5.762 1.00 0.00 H new ATOM 0 HA2 GLY A 789 14.066 -9.246 5.921 1.00 0.00 H new ATOM 0 HA3 GLY A 789 15.238 -9.198 7.224 1.00 0.00 H new TER 573 GLY A 789 HETATM 574 ZN ZN A 201 5.081 -1.539 2.241 1.00 0.00 ZN