USER MOD reduce.3.24.130724 H: found=0, std=0, add=274, rem=0, adj=15 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= -0.222 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+ -153:sc= -0.11 (180deg=-0.637) USER MOD Single : A 758 TYR OH : rot 180:sc= 0 USER MOD Single : A 761 GLN : amide:sc= -0.357 K(o=-0.36,f=-2!) 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=-0.2) USER MOD Single : A 770 SER OG : rot 180:sc= 0.025 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 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 -54:sc= 0.247 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 748 -0.708 24.940 -16.628 1.00 0.00 N ATOM 2 CA GLY A 748 -0.084 25.326 -15.376 1.00 0.00 C ATOM 3 C GLY A 748 1.327 24.790 -15.242 1.00 0.00 C ATOM 4 O GLY A 748 1.681 23.790 -15.866 1.00 0.00 O ATOM 0 HA2 GLY A 748 -0.065 26.413 -15.303 1.00 0.00 H new ATOM 0 HA3 GLY A 748 -0.688 24.962 -14.545 1.00 0.00 H new ATOM 8 N SER A 749 2.137 25.457 -14.425 1.00 0.00 N ATOM 9 CA SER A 749 3.519 25.045 -14.215 1.00 0.00 C ATOM 10 C SER A 749 4.003 25.453 -12.826 1.00 0.00 C ATOM 11 O SER A 749 3.731 26.561 -12.363 1.00 0.00 O ATOM 12 CB SER A 749 4.425 25.659 -15.283 1.00 0.00 C ATOM 13 OG SER A 749 3.769 25.714 -16.538 1.00 0.00 O ATOM 0 H SER A 749 1.859 26.285 -13.898 1.00 0.00 H new ATOM 0 HA SER A 749 3.563 23.959 -14.292 1.00 0.00 H new ATOM 0 HB2 SER A 749 4.721 26.663 -14.980 1.00 0.00 H new ATOM 0 HB3 SER A 749 5.338 25.071 -15.372 1.00 0.00 H new ATOM 0 HG SER A 749 4.369 26.112 -17.203 1.00 0.00 H new ATOM 19 N SER A 750 4.721 24.549 -12.167 1.00 0.00 N ATOM 20 CA SER A 750 5.240 24.812 -10.830 1.00 0.00 C ATOM 21 C SER A 750 6.600 24.149 -10.635 1.00 0.00 C ATOM 22 O SER A 750 7.055 23.379 -11.480 1.00 0.00 O ATOM 23 CB SER A 750 4.257 24.309 -9.771 1.00 0.00 C ATOM 24 OG SER A 750 3.569 23.155 -10.221 1.00 0.00 O ATOM 0 H SER A 750 4.956 23.628 -12.537 1.00 0.00 H new ATOM 0 HA SER A 750 5.362 25.889 -10.719 1.00 0.00 H new ATOM 0 HB2 SER A 750 4.795 24.080 -8.851 1.00 0.00 H new ATOM 0 HB3 SER A 750 3.540 25.095 -9.534 1.00 0.00 H new ATOM 0 HG SER A 750 2.948 22.852 -9.526 1.00 0.00 H new ATOM 30 N GLY A 751 7.244 24.453 -9.512 1.00 0.00 N ATOM 31 CA GLY A 751 8.545 23.878 -9.225 1.00 0.00 C ATOM 32 C GLY A 751 8.492 22.849 -8.114 1.00 0.00 C ATOM 33 O GLY A 751 7.741 23.003 -7.151 1.00 0.00 O ATOM 0 H GLY A 751 6.888 25.087 -8.796 1.00 0.00 H new ATOM 0 HA2 GLY A 751 8.940 23.413 -10.128 1.00 0.00 H new ATOM 0 HA3 GLY A 751 9.237 24.673 -8.947 1.00 0.00 H new ATOM 37 N SER A 752 9.290 21.795 -8.247 1.00 0.00 N ATOM 38 CA SER A 752 9.327 20.732 -7.249 1.00 0.00 C ATOM 39 C SER A 752 10.489 20.936 -6.282 1.00 0.00 C ATOM 40 O SER A 752 11.653 20.935 -6.683 1.00 0.00 O ATOM 41 CB SER A 752 9.448 19.368 -7.930 1.00 0.00 C ATOM 42 OG SER A 752 9.578 18.330 -6.973 1.00 0.00 O ATOM 0 H SER A 752 9.920 21.654 -9.037 1.00 0.00 H new ATOM 0 HA SER A 752 8.396 20.765 -6.683 1.00 0.00 H new ATOM 0 HB2 SER A 752 8.569 19.188 -8.549 1.00 0.00 H new ATOM 0 HB3 SER A 752 10.312 19.365 -8.594 1.00 0.00 H new ATOM 0 HG SER A 752 9.652 17.468 -7.433 1.00 0.00 H new ATOM 48 N SER A 753 10.165 21.110 -5.005 1.00 0.00 N ATOM 49 CA SER A 753 11.181 21.319 -3.979 1.00 0.00 C ATOM 50 C SER A 753 11.295 20.098 -3.071 1.00 0.00 C ATOM 51 O SER A 753 12.374 19.779 -2.574 1.00 0.00 O ATOM 52 CB SER A 753 10.848 22.558 -3.147 1.00 0.00 C ATOM 53 OG SER A 753 11.555 22.552 -1.919 1.00 0.00 O ATOM 0 H SER A 753 9.207 21.110 -4.656 1.00 0.00 H new ATOM 0 HA SER A 753 12.139 21.471 -4.476 1.00 0.00 H new ATOM 0 HB2 SER A 753 11.099 23.457 -3.710 1.00 0.00 H new ATOM 0 HB3 SER A 753 9.776 22.592 -2.953 1.00 0.00 H new ATOM 0 HG SER A 753 11.326 23.355 -1.406 1.00 0.00 H new ATOM 59 N GLY A 754 10.171 19.419 -2.860 1.00 0.00 N ATOM 60 CA GLY A 754 10.165 18.241 -2.012 1.00 0.00 C ATOM 61 C GLY A 754 10.478 16.972 -2.780 1.00 0.00 C ATOM 62 O GLY A 754 9.669 16.512 -3.585 1.00 0.00 O ATOM 0 H GLY A 754 9.265 19.664 -3.261 1.00 0.00 H new ATOM 0 HA2 GLY A 754 10.896 18.368 -1.213 1.00 0.00 H new ATOM 0 HA3 GLY A 754 9.188 18.143 -1.538 1.00 0.00 H new ATOM 66 N GLU A 755 11.655 16.406 -2.532 1.00 0.00 N ATOM 67 CA GLU A 755 12.072 15.184 -3.209 1.00 0.00 C ATOM 68 C GLU A 755 12.599 14.160 -2.208 1.00 0.00 C ATOM 69 O GLU A 755 13.609 14.389 -1.541 1.00 0.00 O ATOM 70 CB GLU A 755 13.148 15.494 -4.252 1.00 0.00 C ATOM 71 CG GLU A 755 14.280 16.357 -3.720 1.00 0.00 C ATOM 72 CD GLU A 755 15.247 16.786 -4.807 1.00 0.00 C ATOM 73 OE1 GLU A 755 14.945 17.772 -5.512 1.00 0.00 O ATOM 74 OE2 GLU A 755 16.303 16.137 -4.953 1.00 0.00 O ATOM 0 H GLU A 755 12.336 16.774 -1.868 1.00 0.00 H new ATOM 0 HA GLU A 755 11.201 14.762 -3.710 1.00 0.00 H new ATOM 0 HB2 GLU A 755 13.561 14.557 -4.625 1.00 0.00 H new ATOM 0 HB3 GLU A 755 12.685 15.999 -5.100 1.00 0.00 H new ATOM 0 HG2 GLU A 755 13.862 17.242 -3.240 1.00 0.00 H new ATOM 0 HG3 GLU A 755 14.823 15.805 -2.953 1.00 0.00 H new ATOM 81 N LYS A 756 11.907 13.030 -2.106 1.00 0.00 N ATOM 82 CA LYS A 756 12.304 11.970 -1.188 1.00 0.00 C ATOM 83 C LYS A 756 12.060 10.596 -1.805 1.00 0.00 C ATOM 84 O LYS A 756 11.156 9.861 -1.406 1.00 0.00 O ATOM 85 CB LYS A 756 11.534 12.093 0.129 1.00 0.00 C ATOM 86 CG LYS A 756 12.078 13.168 1.053 1.00 0.00 C ATOM 87 CD LYS A 756 11.049 13.587 2.089 1.00 0.00 C ATOM 88 CE LYS A 756 10.189 14.738 1.587 1.00 0.00 C ATOM 89 NZ LYS A 756 10.991 15.973 1.366 1.00 0.00 N ATOM 0 H LYS A 756 11.068 12.825 -2.649 1.00 0.00 H new ATOM 0 HA LYS A 756 13.371 12.076 -0.990 1.00 0.00 H new ATOM 0 HB2 LYS A 756 10.488 12.309 -0.090 1.00 0.00 H new ATOM 0 HB3 LYS A 756 11.560 11.134 0.646 1.00 0.00 H new ATOM 0 HG2 LYS A 756 12.972 12.799 1.556 1.00 0.00 H new ATOM 0 HG3 LYS A 756 12.378 14.036 0.466 1.00 0.00 H new ATOM 0 HD2 LYS A 756 10.413 12.737 2.336 1.00 0.00 H new ATOM 0 HD3 LYS A 756 11.556 13.884 3.007 1.00 0.00 H new ATOM 0 HE2 LYS A 756 9.703 14.449 0.655 1.00 0.00 H new ATOM 0 HE3 LYS A 756 9.398 14.943 2.309 1.00 0.00 H new ATOM 0 HZ1 LYS A 756 10.381 16.808 1.476 1.00 0.00 H new ATOM 0 HZ2 LYS A 756 11.763 16.015 2.061 1.00 0.00 H new ATOM 0 HZ3 LYS A 756 11.390 15.960 0.406 1.00 0.00 H new ATOM 103 N PRO A 757 12.884 10.239 -2.801 1.00 0.00 N ATOM 104 CA PRO A 757 12.778 8.950 -3.492 1.00 0.00 C ATOM 105 C PRO A 757 12.671 7.779 -2.522 1.00 0.00 C ATOM 106 O PRO A 757 13.670 7.336 -1.955 1.00 0.00 O ATOM 107 CB PRO A 757 14.083 8.867 -4.289 1.00 0.00 C ATOM 108 CG PRO A 757 14.486 10.285 -4.504 1.00 0.00 C ATOM 109 CD PRO A 757 13.983 11.064 -3.328 1.00 0.00 C ATOM 0 HA PRO A 757 11.881 8.891 -4.108 1.00 0.00 H new ATOM 0 HB2 PRO A 757 14.848 8.317 -3.740 1.00 0.00 H new ATOM 0 HB3 PRO A 757 13.936 8.349 -5.237 1.00 0.00 H new ATOM 0 HG2 PRO A 757 15.569 10.370 -4.588 1.00 0.00 H new ATOM 0 HG3 PRO A 757 14.063 10.670 -5.432 1.00 0.00 H new ATOM 0 HD2 PRO A 757 14.765 11.212 -2.583 1.00 0.00 H new ATOM 0 HD3 PRO A 757 13.634 12.053 -3.624 1.00 0.00 H new ATOM 117 N TYR A 758 11.454 7.281 -2.336 1.00 0.00 N ATOM 118 CA TYR A 758 11.216 6.161 -1.432 1.00 0.00 C ATOM 119 C TYR A 758 9.937 5.419 -1.809 1.00 0.00 C ATOM 120 O TYR A 758 8.856 6.006 -1.858 1.00 0.00 O ATOM 121 CB TYR A 758 11.125 6.655 0.013 1.00 0.00 C ATOM 122 CG TYR A 758 12.472 6.906 0.652 1.00 0.00 C ATOM 123 CD1 TYR A 758 13.243 5.853 1.130 1.00 0.00 C ATOM 124 CD2 TYR A 758 12.973 8.196 0.781 1.00 0.00 C ATOM 125 CE1 TYR A 758 14.474 6.078 1.716 1.00 0.00 C ATOM 126 CE2 TYR A 758 14.203 8.429 1.364 1.00 0.00 C ATOM 127 CZ TYR A 758 14.949 7.367 1.830 1.00 0.00 C ATOM 128 OH TYR A 758 16.175 7.596 2.413 1.00 0.00 O ATOM 0 H TYR A 758 10.617 7.635 -2.799 1.00 0.00 H new ATOM 0 HA TYR A 758 12.055 5.471 -1.521 1.00 0.00 H new ATOM 0 HB2 TYR A 758 10.543 7.576 0.037 1.00 0.00 H new ATOM 0 HB3 TYR A 758 10.582 5.919 0.606 1.00 0.00 H new ATOM 0 HD1 TYR A 758 12.874 4.842 1.042 1.00 0.00 H new ATOM 0 HD2 TYR A 758 12.390 9.030 0.419 1.00 0.00 H new ATOM 0 HE1 TYR A 758 15.061 5.249 2.083 1.00 0.00 H new ATOM 0 HE2 TYR A 758 14.579 9.438 1.454 1.00 0.00 H new ATOM 0 HH TYR A 758 16.362 8.558 2.414 1.00 0.00 H new ATOM 138 N VAL A 759 10.069 4.123 -2.075 1.00 0.00 N ATOM 139 CA VAL A 759 8.926 3.298 -2.445 1.00 0.00 C ATOM 140 C VAL A 759 9.027 1.909 -1.827 1.00 0.00 C ATOM 141 O VAL A 759 10.104 1.313 -1.784 1.00 0.00 O ATOM 142 CB VAL A 759 8.806 3.160 -3.975 1.00 0.00 C ATOM 143 CG1 VAL A 759 7.564 2.363 -4.343 1.00 0.00 C ATOM 144 CG2 VAL A 759 8.784 4.531 -4.633 1.00 0.00 C ATOM 0 H VAL A 759 10.957 3.622 -2.041 1.00 0.00 H new ATOM 0 HA VAL A 759 8.037 3.799 -2.061 1.00 0.00 H new ATOM 0 HB VAL A 759 9.678 2.619 -4.343 1.00 0.00 H new ATOM 0 HG11 VAL A 759 7.496 2.276 -5.427 1.00 0.00 H new ATOM 0 HG12 VAL A 759 7.626 1.368 -3.902 1.00 0.00 H new ATOM 0 HG13 VAL A 759 6.679 2.873 -3.964 1.00 0.00 H new ATOM 0 HG21 VAL A 759 8.699 4.415 -5.713 1.00 0.00 H new ATOM 0 HG22 VAL A 759 7.932 5.100 -4.261 1.00 0.00 H new ATOM 0 HG23 VAL A 759 9.706 5.063 -4.397 1.00 0.00 H new ATOM 154 N CYS A 760 7.898 1.397 -1.348 1.00 0.00 N ATOM 155 CA CYS A 760 7.858 0.076 -0.731 1.00 0.00 C ATOM 156 C CYS A 760 7.829 -1.019 -1.793 1.00 0.00 C ATOM 157 O CYS A 760 6.905 -1.087 -2.603 1.00 0.00 O ATOM 158 CB CYS A 760 6.635 -0.047 0.179 1.00 0.00 C ATOM 159 SG CYS A 760 6.686 -1.480 1.303 1.00 0.00 S ATOM 0 H CYS A 760 6.998 1.877 -1.375 1.00 0.00 H new ATOM 0 HA CYS A 760 8.761 -0.047 -0.133 1.00 0.00 H new ATOM 0 HB2 CYS A 760 6.543 0.863 0.772 1.00 0.00 H new ATOM 0 HB3 CYS A 760 5.740 -0.116 -0.440 1.00 0.00 H new ATOM 164 N GLN A 761 8.846 -1.875 -1.780 1.00 0.00 N ATOM 165 CA GLN A 761 8.937 -2.967 -2.742 1.00 0.00 C ATOM 166 C GLN A 761 8.483 -4.282 -2.117 1.00 0.00 C ATOM 167 O GLN A 761 9.086 -5.330 -2.347 1.00 0.00 O ATOM 168 CB GLN A 761 10.370 -3.102 -3.259 1.00 0.00 C ATOM 169 CG GLN A 761 10.770 -2.010 -4.237 1.00 0.00 C ATOM 170 CD GLN A 761 11.354 -0.793 -3.547 1.00 0.00 C ATOM 171 OE1 GLN A 761 11.891 -0.890 -2.443 1.00 0.00 O ATOM 172 NE2 GLN A 761 11.253 0.361 -4.195 1.00 0.00 N ATOM 0 H GLN A 761 9.618 -1.833 -1.114 1.00 0.00 H new ATOM 0 HA GLN A 761 8.277 -2.736 -3.579 1.00 0.00 H new ATOM 0 HB2 GLN A 761 11.056 -3.088 -2.412 1.00 0.00 H new ATOM 0 HB3 GLN A 761 10.482 -4.072 -3.744 1.00 0.00 H new ATOM 0 HG2 GLN A 761 11.500 -2.408 -4.942 1.00 0.00 H new ATOM 0 HG3 GLN A 761 9.897 -1.710 -4.817 1.00 0.00 H new ATOM 0 HE21 GLN A 761 10.800 0.395 -5.108 1.00 0.00 H new ATOM 0 HE22 GLN A 761 11.629 1.214 -3.780 1.00 0.00 H new ATOM 181 N GLU A 762 7.417 -4.219 -1.325 1.00 0.00 N ATOM 182 CA GLU A 762 6.884 -5.405 -0.666 1.00 0.00 C ATOM 183 C GLU A 762 5.376 -5.514 -0.878 1.00 0.00 C ATOM 184 O GLU A 762 4.854 -6.594 -1.158 1.00 0.00 O ATOM 185 CB GLU A 762 7.198 -5.369 0.830 1.00 0.00 C ATOM 186 CG GLU A 762 6.925 -6.684 1.542 1.00 0.00 C ATOM 187 CD GLU A 762 8.062 -7.675 1.394 1.00 0.00 C ATOM 188 OE1 GLU A 762 9.136 -7.277 0.897 1.00 0.00 O ATOM 189 OE2 GLU A 762 7.878 -8.850 1.776 1.00 0.00 O ATOM 0 H GLU A 762 6.906 -3.359 -1.124 1.00 0.00 H new ATOM 0 HA GLU A 762 7.360 -6.280 -1.109 1.00 0.00 H new ATOM 0 HB2 GLU A 762 8.246 -5.103 0.966 1.00 0.00 H new ATOM 0 HB3 GLU A 762 6.606 -4.583 1.298 1.00 0.00 H new ATOM 0 HG2 GLU A 762 6.752 -6.490 2.601 1.00 0.00 H new ATOM 0 HG3 GLU A 762 6.010 -7.124 1.145 1.00 0.00 H new ATOM 196 N CYS A 763 4.683 -4.389 -0.742 1.00 0.00 N ATOM 197 CA CYS A 763 3.236 -4.356 -0.917 1.00 0.00 C ATOM 198 C CYS A 763 2.853 -3.499 -2.120 1.00 0.00 C ATOM 199 O CYS A 763 1.835 -3.740 -2.768 1.00 0.00 O ATOM 200 CB CYS A 763 2.561 -3.814 0.345 1.00 0.00 C ATOM 201 SG CYS A 763 3.011 -2.096 0.750 1.00 0.00 S ATOM 0 H CYS A 763 5.100 -3.487 -0.511 1.00 0.00 H new ATOM 0 HA CYS A 763 2.893 -5.375 -1.095 1.00 0.00 H new ATOM 0 HB2 CYS A 763 1.480 -3.875 0.221 1.00 0.00 H new ATOM 0 HB3 CYS A 763 2.822 -4.455 1.187 1.00 0.00 H new ATOM 206 N GLY A 764 3.676 -2.497 -2.412 1.00 0.00 N ATOM 207 CA GLY A 764 3.407 -1.620 -3.536 1.00 0.00 C ATOM 208 C GLY A 764 2.801 -0.298 -3.108 1.00 0.00 C ATOM 209 O GLY A 764 1.598 -0.082 -3.251 1.00 0.00 O ATOM 0 H GLY A 764 4.524 -2.277 -1.890 1.00 0.00 H new ATOM 0 HA2 GLY A 764 4.335 -1.433 -4.077 1.00 0.00 H new ATOM 0 HA3 GLY A 764 2.729 -2.119 -4.229 1.00 0.00 H new ATOM 213 N LYS A 765 3.637 0.590 -2.579 1.00 0.00 N ATOM 214 CA LYS A 765 3.178 1.898 -2.127 1.00 0.00 C ATOM 215 C LYS A 765 4.304 2.924 -2.198 1.00 0.00 C ATOM 216 O LYS A 765 5.452 2.623 -1.872 1.00 0.00 O ATOM 217 CB LYS A 765 2.646 1.808 -0.695 1.00 0.00 C ATOM 218 CG LYS A 765 1.651 2.902 -0.346 1.00 0.00 C ATOM 219 CD LYS A 765 0.294 2.645 -0.981 1.00 0.00 C ATOM 220 CE LYS A 765 -0.494 3.935 -1.153 1.00 0.00 C ATOM 221 NZ LYS A 765 -1.033 4.432 0.143 1.00 0.00 N ATOM 0 H LYS A 765 4.636 0.427 -2.453 1.00 0.00 H new ATOM 0 HA LYS A 765 2.373 2.221 -2.788 1.00 0.00 H new ATOM 0 HB2 LYS A 765 2.171 0.837 -0.553 1.00 0.00 H new ATOM 0 HB3 LYS A 765 3.485 1.857 -0.001 1.00 0.00 H new ATOM 0 HG2 LYS A 765 1.541 2.963 0.737 1.00 0.00 H new ATOM 0 HG3 LYS A 765 2.035 3.865 -0.683 1.00 0.00 H new ATOM 0 HD2 LYS A 765 0.430 2.168 -1.952 1.00 0.00 H new ATOM 0 HD3 LYS A 765 -0.273 1.951 -0.361 1.00 0.00 H new ATOM 0 HE2 LYS A 765 0.148 4.697 -1.595 1.00 0.00 H new ATOM 0 HE3 LYS A 765 -1.317 3.768 -1.849 1.00 0.00 H new ATOM 0 HZ1 LYS A 765 -1.563 5.312 -0.016 1.00 0.00 H new ATOM 0 HZ2 LYS A 765 -1.666 3.716 0.553 1.00 0.00 H new ATOM 0 HZ3 LYS A 765 -0.247 4.616 0.798 1.00 0.00 H new ATOM 235 N ALA A 766 3.968 4.137 -2.625 1.00 0.00 N ATOM 236 CA ALA A 766 4.950 5.208 -2.735 1.00 0.00 C ATOM 237 C ALA A 766 4.511 6.439 -1.951 1.00 0.00 C ATOM 238 O ALA A 766 3.330 6.787 -1.932 1.00 0.00 O ATOM 239 CB ALA A 766 5.180 5.565 -4.196 1.00 0.00 C ATOM 0 H ALA A 766 3.022 4.402 -2.900 1.00 0.00 H new ATOM 0 HA ALA A 766 5.887 4.853 -2.307 1.00 0.00 H new ATOM 0 HB1 ALA A 766 5.916 6.366 -4.263 1.00 0.00 H new ATOM 0 HB2 ALA A 766 5.547 4.689 -4.731 1.00 0.00 H new ATOM 0 HB3 ALA A 766 4.242 5.895 -4.642 1.00 0.00 H new ATOM 245 N PHE A 767 5.468 7.096 -1.303 1.00 0.00 N ATOM 246 CA PHE A 767 5.179 8.288 -0.515 1.00 0.00 C ATOM 247 C PHE A 767 6.024 9.468 -0.984 1.00 0.00 C ATOM 248 O PHE A 767 7.220 9.327 -1.242 1.00 0.00 O ATOM 249 CB PHE A 767 5.436 8.019 0.969 1.00 0.00 C ATOM 250 CG PHE A 767 4.714 6.811 1.494 1.00 0.00 C ATOM 251 CD1 PHE A 767 5.297 5.556 1.429 1.00 0.00 C ATOM 252 CD2 PHE A 767 3.452 6.931 2.052 1.00 0.00 C ATOM 253 CE1 PHE A 767 4.634 4.443 1.910 1.00 0.00 C ATOM 254 CE2 PHE A 767 2.784 5.821 2.536 1.00 0.00 C ATOM 255 CZ PHE A 767 3.377 4.576 2.465 1.00 0.00 C ATOM 0 H PHE A 767 6.451 6.822 -1.308 1.00 0.00 H new ATOM 0 HA PHE A 767 4.128 8.539 -0.654 1.00 0.00 H new ATOM 0 HB2 PHE A 767 6.507 7.889 1.126 1.00 0.00 H new ATOM 0 HB3 PHE A 767 5.133 8.893 1.546 1.00 0.00 H new ATOM 0 HD1 PHE A 767 6.281 5.446 0.997 1.00 0.00 H new ATOM 0 HD2 PHE A 767 2.984 7.903 2.110 1.00 0.00 H new ATOM 0 HE1 PHE A 767 5.099 3.470 1.852 1.00 0.00 H new ATOM 0 HE2 PHE A 767 1.800 5.928 2.969 1.00 0.00 H new ATOM 0 HZ PHE A 767 2.858 3.708 2.843 1.00 0.00 H new ATOM 265 N THR A 768 5.394 10.634 -1.092 1.00 0.00 N ATOM 266 CA THR A 768 6.086 11.839 -1.531 1.00 0.00 C ATOM 267 C THR A 768 6.057 12.914 -0.451 1.00 0.00 C ATOM 268 O THR A 768 6.970 13.734 -0.354 1.00 0.00 O ATOM 269 CB THR A 768 5.464 12.406 -2.821 1.00 0.00 C ATOM 270 OG1 THR A 768 4.199 13.010 -2.531 1.00 0.00 O ATOM 271 CG2 THR A 768 5.282 11.310 -3.861 1.00 0.00 C ATOM 0 H THR A 768 4.405 10.769 -0.881 1.00 0.00 H new ATOM 0 HA THR A 768 7.120 11.555 -1.729 1.00 0.00 H new ATOM 0 HB THR A 768 6.141 13.159 -3.224 1.00 0.00 H new ATOM 0 HG1 THR A 768 3.811 13.369 -3.356 1.00 0.00 H new ATOM 0 HG21 THR A 768 4.841 11.734 -4.763 1.00 0.00 H new ATOM 0 HG22 THR A 768 6.251 10.872 -4.102 1.00 0.00 H new ATOM 0 HG23 THR A 768 4.623 10.538 -3.464 1.00 0.00 H new ATOM 279 N GLN A 769 5.003 12.905 0.358 1.00 0.00 N ATOM 280 CA GLN A 769 4.856 13.881 1.432 1.00 0.00 C ATOM 281 C GLN A 769 6.047 13.827 2.383 1.00 0.00 C ATOM 282 O GLN A 769 6.613 14.859 2.743 1.00 0.00 O ATOM 283 CB GLN A 769 3.559 13.630 2.204 1.00 0.00 C ATOM 284 CG GLN A 769 2.320 14.154 1.497 1.00 0.00 C ATOM 285 CD GLN A 769 1.034 13.673 2.141 1.00 0.00 C ATOM 286 OE1 GLN A 769 0.967 13.486 3.356 1.00 0.00 O ATOM 287 NE2 GLN A 769 0.004 13.470 1.328 1.00 0.00 N ATOM 0 H GLN A 769 4.238 12.233 0.291 1.00 0.00 H new ATOM 0 HA GLN A 769 4.817 14.874 0.984 1.00 0.00 H new ATOM 0 HB2 GLN A 769 3.446 12.559 2.371 1.00 0.00 H new ATOM 0 HB3 GLN A 769 3.633 14.099 3.185 1.00 0.00 H new ATOM 0 HG2 GLN A 769 2.338 15.244 1.500 1.00 0.00 H new ATOM 0 HG3 GLN A 769 2.340 13.838 0.454 1.00 0.00 H new ATOM 0 HE21 GLN A 769 0.104 13.638 0.327 1.00 0.00 H new ATOM 0 HE22 GLN A 769 -0.887 13.146 1.705 1.00 0.00 H new ATOM 296 N SER A 770 6.421 12.617 2.787 1.00 0.00 N ATOM 297 CA SER A 770 7.542 12.429 3.700 1.00 0.00 C ATOM 298 C SER A 770 8.068 10.999 3.628 1.00 0.00 C ATOM 299 O SER A 770 7.564 10.179 2.861 1.00 0.00 O ATOM 300 CB SER A 770 7.120 12.758 5.134 1.00 0.00 C ATOM 301 OG SER A 770 8.240 13.114 5.926 1.00 0.00 O ATOM 0 H SER A 770 5.964 11.753 2.496 1.00 0.00 H new ATOM 0 HA SER A 770 8.341 13.107 3.399 1.00 0.00 H new ATOM 0 HB2 SER A 770 6.401 13.577 5.126 1.00 0.00 H new ATOM 0 HB3 SER A 770 6.617 11.897 5.575 1.00 0.00 H new ATOM 0 HG SER A 770 7.944 13.321 6.837 1.00 0.00 H new ATOM 307 N SER A 771 9.084 10.707 4.433 1.00 0.00 N ATOM 308 CA SER A 771 9.682 9.377 4.459 1.00 0.00 C ATOM 309 C SER A 771 8.844 8.422 5.303 1.00 0.00 C ATOM 310 O SER A 771 9.266 7.993 6.378 1.00 0.00 O ATOM 311 CB SER A 771 11.108 9.446 5.009 1.00 0.00 C ATOM 312 OG SER A 771 11.815 10.544 4.458 1.00 0.00 O ATOM 0 H SER A 771 9.511 11.374 5.076 1.00 0.00 H new ATOM 0 HA SER A 771 9.713 8.999 3.437 1.00 0.00 H new ATOM 0 HB2 SER A 771 11.078 9.537 6.095 1.00 0.00 H new ATOM 0 HB3 SER A 771 11.634 8.519 4.781 1.00 0.00 H new ATOM 0 HG SER A 771 12.723 10.567 4.827 1.00 0.00 H new ATOM 318 N CYS A 772 7.656 8.093 4.809 1.00 0.00 N ATOM 319 CA CYS A 772 6.757 7.188 5.518 1.00 0.00 C ATOM 320 C CYS A 772 7.161 5.735 5.294 1.00 0.00 C ATOM 321 O CYS A 772 6.891 4.869 6.127 1.00 0.00 O ATOM 322 CB CYS A 772 5.315 7.406 5.059 1.00 0.00 C ATOM 323 SG CYS A 772 4.072 6.729 6.184 1.00 0.00 S ATOM 0 H CYS A 772 7.292 8.439 3.921 1.00 0.00 H new ATOM 0 HA CYS A 772 6.828 7.405 6.584 1.00 0.00 H new ATOM 0 HB2 CYS A 772 5.140 8.476 4.942 1.00 0.00 H new ATOM 0 HB3 CYS A 772 5.185 6.953 4.076 1.00 0.00 H new ATOM 0 HG CYS A 772 2.884 6.965 5.711 1.00 0.00 H new ATOM 329 N LEU A 773 7.809 5.473 4.164 1.00 0.00 N ATOM 330 CA LEU A 773 8.249 4.124 3.829 1.00 0.00 C ATOM 331 C LEU A 773 9.053 3.513 4.973 1.00 0.00 C ATOM 332 O LEU A 773 8.991 2.308 5.214 1.00 0.00 O ATOM 333 CB LEU A 773 9.091 4.143 2.552 1.00 0.00 C ATOM 334 CG LEU A 773 9.832 2.848 2.218 1.00 0.00 C ATOM 335 CD1 LEU A 773 8.851 1.699 2.051 1.00 0.00 C ATOM 336 CD2 LEU A 773 10.670 3.023 0.960 1.00 0.00 C ATOM 0 H LEU A 773 8.041 6.178 3.464 1.00 0.00 H new ATOM 0 HA LEU A 773 7.363 3.510 3.664 1.00 0.00 H new ATOM 0 HB2 LEU A 773 8.439 4.392 1.714 1.00 0.00 H new ATOM 0 HB3 LEU A 773 9.823 4.946 2.635 1.00 0.00 H new ATOM 0 HG LEU A 773 10.500 2.610 3.046 1.00 0.00 H new ATOM 0 HD11 LEU A 773 9.397 0.786 1.814 1.00 0.00 H new ATOM 0 HD12 LEU A 773 8.294 1.558 2.977 1.00 0.00 H new ATOM 0 HD13 LEU A 773 8.157 1.928 1.242 1.00 0.00 H new ATOM 0 HD21 LEU A 773 11.191 2.092 0.737 1.00 0.00 H new ATOM 0 HD22 LEU A 773 10.021 3.285 0.124 1.00 0.00 H new ATOM 0 HD23 LEU A 773 11.399 3.818 1.116 1.00 0.00 H new ATOM 348 N SER A 774 9.804 4.354 5.676 1.00 0.00 N ATOM 349 CA SER A 774 10.622 3.898 6.794 1.00 0.00 C ATOM 350 C SER A 774 9.772 3.152 7.819 1.00 0.00 C ATOM 351 O SER A 774 9.844 1.927 7.927 1.00 0.00 O ATOM 352 CB SER A 774 11.320 5.084 7.460 1.00 0.00 C ATOM 353 OG SER A 774 11.890 4.708 8.702 1.00 0.00 O ATOM 0 H SER A 774 9.863 5.355 5.491 1.00 0.00 H new ATOM 0 HA SER A 774 11.376 3.214 6.405 1.00 0.00 H new ATOM 0 HB2 SER A 774 12.098 5.469 6.801 1.00 0.00 H new ATOM 0 HB3 SER A 774 10.604 5.892 7.614 1.00 0.00 H new ATOM 0 HG SER A 774 12.332 5.483 9.107 1.00 0.00 H new ATOM 359 N ILE A 775 8.969 3.899 8.568 1.00 0.00 N ATOM 360 CA ILE A 775 8.105 3.309 9.583 1.00 0.00 C ATOM 361 C ILE A 775 7.151 2.291 8.968 1.00 0.00 C ATOM 362 O ILE A 775 6.684 1.374 9.645 1.00 0.00 O ATOM 363 CB ILE A 775 7.285 4.386 10.318 1.00 0.00 C ATOM 364 CG1 ILE A 775 8.215 5.408 10.974 1.00 0.00 C ATOM 365 CG2 ILE A 775 6.378 3.743 11.358 1.00 0.00 C ATOM 366 CD1 ILE A 775 7.500 6.643 11.475 1.00 0.00 C ATOM 0 H ILE A 775 8.898 4.914 8.491 1.00 0.00 H new ATOM 0 HA ILE A 775 8.755 2.807 10.299 1.00 0.00 H new ATOM 0 HB ILE A 775 6.661 4.905 9.591 1.00 0.00 H new ATOM 0 HG12 ILE A 775 8.731 4.934 11.808 1.00 0.00 H new ATOM 0 HG13 ILE A 775 8.978 5.707 10.255 1.00 0.00 H new ATOM 0 HG21 ILE A 775 5.805 4.517 11.869 1.00 0.00 H new ATOM 0 HG22 ILE A 775 5.695 3.050 10.867 1.00 0.00 H new ATOM 0 HG23 ILE A 775 6.984 3.201 12.084 1.00 0.00 H new ATOM 0 HD11 ILE A 775 8.222 7.323 11.928 1.00 0.00 H new ATOM 0 HD12 ILE A 775 7.006 7.141 10.641 1.00 0.00 H new ATOM 0 HD13 ILE A 775 6.756 6.356 12.218 1.00 0.00 H new ATOM 378 N HIS A 776 6.865 2.457 7.681 1.00 0.00 N ATOM 379 CA HIS A 776 5.968 1.550 6.973 1.00 0.00 C ATOM 380 C HIS A 776 6.639 0.202 6.731 1.00 0.00 C ATOM 381 O HIS A 776 5.968 -0.822 6.599 1.00 0.00 O ATOM 382 CB HIS A 776 5.534 2.164 5.642 1.00 0.00 C ATOM 383 CG HIS A 776 4.756 1.223 4.774 1.00 0.00 C ATOM 384 ND1 HIS A 776 3.387 1.079 4.859 1.00 0.00 N ATOM 385 CD2 HIS A 776 5.162 0.378 3.799 1.00 0.00 C ATOM 386 CE1 HIS A 776 2.985 0.184 3.974 1.00 0.00 C ATOM 387 NE2 HIS A 776 4.043 -0.256 3.317 1.00 0.00 N ATOM 0 H HIS A 776 7.241 3.211 7.107 1.00 0.00 H new ATOM 0 HA HIS A 776 5.087 1.391 7.595 1.00 0.00 H new ATOM 0 HB2 HIS A 776 4.928 3.048 5.840 1.00 0.00 H new ATOM 0 HB3 HIS A 776 6.419 2.498 5.100 1.00 0.00 H new ATOM 0 HD1 HIS A 776 2.780 1.584 5.504 1.00 0.00 H new ATOM 0 HD2 HIS A 776 6.177 0.229 3.462 1.00 0.00 H new ATOM 0 HE1 HIS A 776 1.965 -0.134 3.815 1.00 0.00 H new ATOM 395 N ARG A 777 7.967 0.209 6.672 1.00 0.00 N ATOM 396 CA ARG A 777 8.728 -1.013 6.443 1.00 0.00 C ATOM 397 C ARG A 777 8.910 -1.792 7.742 1.00 0.00 C ATOM 398 O ARG A 777 9.079 -3.011 7.728 1.00 0.00 O ATOM 399 CB ARG A 777 10.094 -0.682 5.838 1.00 0.00 C ATOM 400 CG ARG A 777 10.630 -1.765 4.916 1.00 0.00 C ATOM 401 CD ARG A 777 12.038 -1.444 4.440 1.00 0.00 C ATOM 402 NE ARG A 777 13.032 -1.654 5.489 1.00 0.00 N ATOM 403 CZ ARG A 777 14.304 -1.286 5.381 1.00 0.00 C ATOM 404 NH1 ARG A 777 14.734 -0.692 4.276 1.00 0.00 N ATOM 405 NH2 ARG A 777 15.148 -1.511 6.379 1.00 0.00 N ATOM 0 H ARG A 777 8.538 1.047 6.780 1.00 0.00 H new ATOM 0 HA ARG A 777 8.169 -1.634 5.743 1.00 0.00 H new ATOM 0 HB2 ARG A 777 10.019 0.252 5.282 1.00 0.00 H new ATOM 0 HB3 ARG A 777 10.809 -0.517 6.644 1.00 0.00 H new ATOM 0 HG2 ARG A 777 10.631 -2.722 5.438 1.00 0.00 H new ATOM 0 HG3 ARG A 777 9.969 -1.872 4.056 1.00 0.00 H new ATOM 0 HD2 ARG A 777 12.281 -2.068 3.580 1.00 0.00 H new ATOM 0 HD3 ARG A 777 12.079 -0.408 4.104 1.00 0.00 H new ATOM 0 HE ARG A 777 12.733 -2.108 6.352 1.00 0.00 H new ATOM 0 HH11 ARG A 777 14.088 -0.517 3.507 1.00 0.00 H new ATOM 0 HH12 ARG A 777 15.711 -0.410 4.196 1.00 0.00 H new ATOM 0 HH21 ARG A 777 14.821 -1.967 7.231 1.00 0.00 H new ATOM 0 HH22 ARG A 777 16.124 -1.228 6.295 1.00 0.00 H new ATOM 419 N ARG A 778 8.874 -1.079 8.863 1.00 0.00 N ATOM 420 CA ARG A 778 9.037 -1.703 10.171 1.00 0.00 C ATOM 421 C ARG A 778 7.926 -2.717 10.431 1.00 0.00 C ATOM 422 O ARG A 778 8.127 -3.704 11.138 1.00 0.00 O ATOM 423 CB ARG A 778 9.039 -0.639 11.270 1.00 0.00 C ATOM 424 CG ARG A 778 9.983 0.520 10.995 1.00 0.00 C ATOM 425 CD ARG A 778 10.022 1.496 12.160 1.00 0.00 C ATOM 426 NE ARG A 778 10.711 2.736 11.813 1.00 0.00 N ATOM 427 CZ ARG A 778 11.216 3.573 12.712 1.00 0.00 C ATOM 428 NH1 ARG A 778 11.110 3.304 14.006 1.00 0.00 N ATOM 429 NH2 ARG A 778 11.829 4.682 12.318 1.00 0.00 N ATOM 0 H ARG A 778 8.733 -0.069 8.892 1.00 0.00 H new ATOM 0 HA ARG A 778 9.993 -2.227 10.180 1.00 0.00 H new ATOM 0 HB2 ARG A 778 8.027 -0.252 11.390 1.00 0.00 H new ATOM 0 HB3 ARG A 778 9.316 -1.106 12.215 1.00 0.00 H new ATOM 0 HG2 ARG A 778 10.986 0.137 10.806 1.00 0.00 H new ATOM 0 HG3 ARG A 778 9.666 1.042 10.092 1.00 0.00 H new ATOM 0 HD2 ARG A 778 9.004 1.723 12.476 1.00 0.00 H new ATOM 0 HD3 ARG A 778 10.522 1.028 13.008 1.00 0.00 H new ATOM 0 HE ARG A 778 10.810 2.972 10.826 1.00 0.00 H new ATOM 0 HH11 ARG A 778 10.640 2.453 14.313 1.00 0.00 H new ATOM 0 HH12 ARG A 778 11.499 3.949 14.694 1.00 0.00 H new ATOM 0 HH21 ARG A 778 11.913 4.893 11.324 1.00 0.00 H new ATOM 0 HH22 ARG A 778 12.216 5.324 13.010 1.00 0.00 H new ATOM 443 N VAL A 779 6.755 -2.464 9.856 1.00 0.00 N ATOM 444 CA VAL A 779 5.613 -3.355 10.025 1.00 0.00 C ATOM 445 C VAL A 779 5.506 -4.338 8.865 1.00 0.00 C ATOM 446 O VAL A 779 4.410 -4.752 8.486 1.00 0.00 O ATOM 447 CB VAL A 779 4.296 -2.564 10.135 1.00 0.00 C ATOM 448 CG1 VAL A 779 4.374 -1.552 11.269 1.00 0.00 C ATOM 449 CG2 VAL A 779 3.976 -1.875 8.817 1.00 0.00 C ATOM 0 H VAL A 779 6.572 -1.650 9.269 1.00 0.00 H new ATOM 0 HA VAL A 779 5.776 -3.906 10.951 1.00 0.00 H new ATOM 0 HB VAL A 779 3.490 -3.264 10.358 1.00 0.00 H new ATOM 0 HG11 VAL A 779 3.435 -1.003 11.332 1.00 0.00 H new ATOM 0 HG12 VAL A 779 4.553 -2.073 12.210 1.00 0.00 H new ATOM 0 HG13 VAL A 779 5.190 -0.855 11.079 1.00 0.00 H new ATOM 0 HG21 VAL A 779 3.042 -1.321 8.913 1.00 0.00 H new ATOM 0 HG22 VAL A 779 4.782 -1.187 8.561 1.00 0.00 H new ATOM 0 HG23 VAL A 779 3.875 -2.623 8.031 1.00 0.00 H new ATOM 459 N HIS A 780 6.653 -4.710 8.304 1.00 0.00 N ATOM 460 CA HIS A 780 6.689 -5.647 7.187 1.00 0.00 C ATOM 461 C HIS A 780 7.624 -6.814 7.487 1.00 0.00 C ATOM 462 O HIS A 780 8.676 -6.958 6.863 1.00 0.00 O ATOM 463 CB HIS A 780 7.137 -4.934 5.910 1.00 0.00 C ATOM 464 CG HIS A 780 6.005 -4.355 5.119 1.00 0.00 C ATOM 465 ND1 HIS A 780 4.803 -5.005 4.938 1.00 0.00 N ATOM 466 CD2 HIS A 780 5.897 -3.177 4.461 1.00 0.00 C ATOM 467 CE1 HIS A 780 4.005 -4.253 4.201 1.00 0.00 C ATOM 468 NE2 HIS A 780 4.644 -3.138 3.899 1.00 0.00 N ATOM 0 H HIS A 780 7.569 -4.377 8.605 1.00 0.00 H new ATOM 0 HA HIS A 780 5.683 -6.039 7.041 1.00 0.00 H new ATOM 0 HB2 HIS A 780 7.831 -4.136 6.174 1.00 0.00 H new ATOM 0 HB3 HIS A 780 7.684 -5.638 5.283 1.00 0.00 H new ATOM 0 HD1 HIS A 780 4.567 -5.923 5.314 1.00 0.00 H new ATOM 0 HD2 HIS A 780 6.655 -2.411 4.391 1.00 0.00 H new ATOM 0 HE1 HIS A 780 3.000 -4.507 3.897 1.00 0.00 H new ATOM 476 N THR A 781 7.234 -7.647 8.447 1.00 0.00 N ATOM 477 CA THR A 781 8.038 -8.800 8.831 1.00 0.00 C ATOM 478 C THR A 781 7.169 -9.903 9.426 1.00 0.00 C ATOM 479 O THR A 781 6.048 -9.653 9.867 1.00 0.00 O ATOM 480 CB THR A 781 9.126 -8.413 9.851 1.00 0.00 C ATOM 481 OG1 THR A 781 8.604 -7.461 10.785 1.00 0.00 O ATOM 482 CG2 THR A 781 10.342 -7.828 9.149 1.00 0.00 C ATOM 0 H THR A 781 6.366 -7.544 8.973 1.00 0.00 H new ATOM 0 HA THR A 781 8.516 -9.167 7.923 1.00 0.00 H new ATOM 0 HB THR A 781 9.432 -9.314 10.383 1.00 0.00 H new ATOM 0 HG1 THR A 781 9.301 -7.221 11.431 1.00 0.00 H new ATOM 0 HG21 THR A 781 11.097 -7.562 9.889 1.00 0.00 H new ATOM 0 HG22 THR A 781 10.754 -8.565 8.460 1.00 0.00 H new ATOM 0 HG23 THR A 781 10.048 -6.937 8.594 1.00 0.00 H new ATOM 490 N GLY A 782 7.695 -11.124 9.436 1.00 0.00 N ATOM 491 CA GLY A 782 6.953 -12.246 9.980 1.00 0.00 C ATOM 492 C GLY A 782 7.626 -13.576 9.703 1.00 0.00 C ATOM 493 O GLY A 782 8.361 -14.093 10.543 1.00 0.00 O ATOM 0 H GLY A 782 8.621 -11.356 9.077 1.00 0.00 H new ATOM 0 HA2 GLY A 782 6.842 -12.116 11.056 1.00 0.00 H new ATOM 0 HA3 GLY A 782 5.950 -12.255 9.554 1.00 0.00 H new ATOM 497 N GLU A 783 7.374 -14.130 8.521 1.00 0.00 N ATOM 498 CA GLU A 783 7.960 -15.409 8.137 1.00 0.00 C ATOM 499 C GLU A 783 9.420 -15.237 7.725 1.00 0.00 C ATOM 500 O GLU A 783 10.323 -15.779 8.361 1.00 0.00 O ATOM 501 CB GLU A 783 7.166 -16.035 6.989 1.00 0.00 C ATOM 502 CG GLU A 783 5.785 -16.520 7.399 1.00 0.00 C ATOM 503 CD GLU A 783 4.731 -15.435 7.292 1.00 0.00 C ATOM 504 OE1 GLU A 783 5.094 -14.284 6.971 1.00 0.00 O ATOM 505 OE2 GLU A 783 3.542 -15.737 7.530 1.00 0.00 O ATOM 0 H GLU A 783 6.769 -13.714 7.814 1.00 0.00 H new ATOM 0 HA GLU A 783 7.920 -16.072 9.001 1.00 0.00 H new ATOM 0 HB2 GLU A 783 7.062 -15.303 6.188 1.00 0.00 H new ATOM 0 HB3 GLU A 783 7.731 -16.874 6.582 1.00 0.00 H new ATOM 0 HG2 GLU A 783 5.498 -17.363 6.770 1.00 0.00 H new ATOM 0 HG3 GLU A 783 5.822 -16.886 8.425 1.00 0.00 H new ATOM 512 N SER A 784 9.641 -14.478 6.657 1.00 0.00 N ATOM 513 CA SER A 784 10.990 -14.237 6.157 1.00 0.00 C ATOM 514 C SER A 784 11.670 -15.549 5.774 1.00 0.00 C ATOM 515 O SER A 784 12.880 -15.703 5.933 1.00 0.00 O ATOM 516 CB SER A 784 11.824 -13.505 7.210 1.00 0.00 C ATOM 517 OG SER A 784 12.865 -12.757 6.606 1.00 0.00 O ATOM 0 H SER A 784 8.904 -14.019 6.121 1.00 0.00 H new ATOM 0 HA SER A 784 10.915 -13.613 5.266 1.00 0.00 H new ATOM 0 HB2 SER A 784 11.183 -12.840 7.789 1.00 0.00 H new ATOM 0 HB3 SER A 784 12.248 -14.226 7.908 1.00 0.00 H new ATOM 0 HG SER A 784 13.383 -12.297 7.300 1.00 0.00 H new ATOM 523 N GLY A 785 10.880 -16.492 5.269 1.00 0.00 N ATOM 524 CA GLY A 785 11.422 -17.778 4.872 1.00 0.00 C ATOM 525 C GLY A 785 10.363 -18.704 4.306 1.00 0.00 C ATOM 526 O GLY A 785 9.963 -19.683 4.935 1.00 0.00 O ATOM 0 H GLY A 785 9.875 -16.388 5.128 1.00 0.00 H new ATOM 0 HA2 GLY A 785 12.203 -17.625 4.127 1.00 0.00 H new ATOM 0 HA3 GLY A 785 11.892 -18.252 5.733 1.00 0.00 H new ATOM 530 N PRO A 786 9.891 -18.394 3.089 1.00 0.00 N ATOM 531 CA PRO A 786 8.864 -19.192 2.412 1.00 0.00 C ATOM 532 C PRO A 786 9.186 -20.682 2.426 1.00 0.00 C ATOM 533 O PRO A 786 10.352 -21.076 2.386 1.00 0.00 O ATOM 534 CB PRO A 786 8.886 -18.654 0.979 1.00 0.00 C ATOM 535 CG PRO A 786 9.396 -17.260 1.105 1.00 0.00 C ATOM 536 CD PRO A 786 10.322 -17.241 2.281 1.00 0.00 C ATOM 0 HA PRO A 786 7.893 -19.106 2.900 1.00 0.00 H new ATOM 0 HB2 PRO A 786 9.533 -19.256 0.340 1.00 0.00 H new ATOM 0 HB3 PRO A 786 7.891 -18.673 0.534 1.00 0.00 H new ATOM 0 HG2 PRO A 786 9.918 -16.956 0.198 1.00 0.00 H new ATOM 0 HG3 PRO A 786 8.574 -16.559 1.250 1.00 0.00 H new ATOM 0 HD2 PRO A 786 11.363 -17.337 1.972 1.00 0.00 H new ATOM 0 HD3 PRO A 786 10.240 -16.309 2.839 1.00 0.00 H new ATOM 544 N SER A 787 8.145 -21.507 2.484 1.00 0.00 N ATOM 545 CA SER A 787 8.318 -22.955 2.507 1.00 0.00 C ATOM 546 C SER A 787 8.108 -23.549 1.118 1.00 0.00 C ATOM 547 O SER A 787 7.055 -23.370 0.506 1.00 0.00 O ATOM 548 CB SER A 787 7.341 -23.590 3.498 1.00 0.00 C ATOM 549 OG SER A 787 7.402 -25.005 3.439 1.00 0.00 O ATOM 0 H SER A 787 7.174 -21.198 2.516 1.00 0.00 H new ATOM 0 HA SER A 787 9.338 -23.170 2.825 1.00 0.00 H new ATOM 0 HB2 SER A 787 7.574 -23.255 4.509 1.00 0.00 H new ATOM 0 HB3 SER A 787 6.327 -23.257 3.278 1.00 0.00 H new ATOM 0 HG SER A 787 6.769 -25.387 4.083 1.00 0.00 H new ATOM 555 N SER A 788 9.120 -24.257 0.625 1.00 0.00 N ATOM 556 CA SER A 788 9.049 -24.876 -0.694 1.00 0.00 C ATOM 557 C SER A 788 8.820 -23.824 -1.775 1.00 0.00 C ATOM 558 O SER A 788 8.121 -24.070 -2.757 1.00 0.00 O ATOM 559 CB SER A 788 7.929 -25.917 -0.733 1.00 0.00 C ATOM 560 OG SER A 788 8.048 -26.750 -1.873 1.00 0.00 O ATOM 0 H SER A 788 9.998 -24.416 1.119 1.00 0.00 H new ATOM 0 HA SER A 788 10.001 -25.371 -0.888 1.00 0.00 H new ATOM 0 HB2 SER A 788 7.962 -26.525 0.171 1.00 0.00 H new ATOM 0 HB3 SER A 788 6.962 -25.415 -0.745 1.00 0.00 H new ATOM 0 HG SER A 788 8.092 -26.196 -2.680 1.00 0.00 H new ATOM 566 N GLY A 789 9.415 -22.650 -1.586 1.00 0.00 N ATOM 567 CA GLY A 789 9.263 -21.578 -2.552 1.00 0.00 C ATOM 568 C GLY A 789 10.591 -20.960 -2.945 1.00 0.00 C ATOM 569 O GLY A 789 11.165 -20.219 -2.150 1.00 0.00 O ATOM 0 H GLY A 789 9.999 -22.422 -0.781 1.00 0.00 H new ATOM 0 HA2 GLY A 789 8.767 -21.963 -3.443 1.00 0.00 H new ATOM 0 HA3 GLY A 789 8.616 -20.806 -2.135 1.00 0.00 H new TER 573 GLY A 789 HETATM 574 ZN ZN A 201 4.632 -1.869 2.393 1.00 0.00 ZN