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= -0.0157 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 X(o=0,f=0) USER MOD Single : A 765 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0219) USER MOD Single : A 768 THR OG1 : rot 180:sc= 0 USER MOD Single : A 769 GLN : amide:sc= -0.103 X(o=-0.1,f=0) 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 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 11.224 2.982 -25.668 1.00 0.00 N ATOM 2 CA GLY A 748 10.482 4.152 -26.102 1.00 0.00 C ATOM 3 C GLY A 748 10.146 5.084 -24.954 1.00 0.00 C ATOM 4 O GLY A 748 9.022 5.574 -24.852 1.00 0.00 O ATOM 0 HA2 GLY A 748 11.066 4.693 -26.846 1.00 0.00 H new ATOM 0 HA3 GLY A 748 9.560 3.834 -26.589 1.00 0.00 H new ATOM 8 N SER A 749 11.123 5.328 -24.087 1.00 0.00 N ATOM 9 CA SER A 749 10.924 6.203 -22.938 1.00 0.00 C ATOM 10 C SER A 749 12.233 6.414 -22.182 1.00 0.00 C ATOM 11 O SER A 749 13.065 5.511 -22.095 1.00 0.00 O ATOM 12 CB SER A 749 9.869 5.615 -21.999 1.00 0.00 C ATOM 13 OG SER A 749 9.866 4.199 -22.058 1.00 0.00 O ATOM 0 H SER A 749 12.060 4.932 -24.158 1.00 0.00 H new ATOM 0 HA SER A 749 10.576 7.169 -23.304 1.00 0.00 H new ATOM 0 HB2 SER A 749 10.066 5.939 -20.977 1.00 0.00 H new ATOM 0 HB3 SER A 749 8.884 5.995 -22.270 1.00 0.00 H new ATOM 0 HG SER A 749 9.184 3.848 -21.448 1.00 0.00 H new ATOM 19 N SER A 750 12.408 7.613 -21.637 1.00 0.00 N ATOM 20 CA SER A 750 13.616 7.946 -20.891 1.00 0.00 C ATOM 21 C SER A 750 13.400 9.187 -20.031 1.00 0.00 C ATOM 22 O SER A 750 12.345 9.819 -20.087 1.00 0.00 O ATOM 23 CB SER A 750 14.786 8.174 -21.850 1.00 0.00 C ATOM 24 OG SER A 750 14.449 9.119 -22.850 1.00 0.00 O ATOM 0 H SER A 750 11.728 8.371 -21.698 1.00 0.00 H new ATOM 0 HA SER A 750 13.850 7.108 -20.235 1.00 0.00 H new ATOM 0 HB2 SER A 750 15.654 8.524 -21.292 1.00 0.00 H new ATOM 0 HB3 SER A 750 15.067 7.230 -22.317 1.00 0.00 H new ATOM 0 HG SER A 750 15.214 9.248 -23.449 1.00 0.00 H new ATOM 30 N GLY A 751 14.407 9.531 -19.235 1.00 0.00 N ATOM 31 CA GLY A 751 14.309 10.694 -18.373 1.00 0.00 C ATOM 32 C GLY A 751 13.296 10.508 -17.261 1.00 0.00 C ATOM 33 O GLY A 751 12.301 9.805 -17.430 1.00 0.00 O ATOM 0 H GLY A 751 15.290 9.024 -19.172 1.00 0.00 H new ATOM 0 HA2 GLY A 751 15.286 10.904 -17.938 1.00 0.00 H new ATOM 0 HA3 GLY A 751 14.033 11.563 -18.970 1.00 0.00 H new ATOM 37 N SER A 752 13.551 11.139 -16.119 1.00 0.00 N ATOM 38 CA SER A 752 12.657 11.035 -14.972 1.00 0.00 C ATOM 39 C SER A 752 12.931 12.149 -13.966 1.00 0.00 C ATOM 40 O SER A 752 14.084 12.450 -13.657 1.00 0.00 O ATOM 41 CB SER A 752 12.816 9.672 -14.297 1.00 0.00 C ATOM 42 OG SER A 752 11.623 9.289 -13.634 1.00 0.00 O ATOM 0 H SER A 752 14.369 11.728 -15.964 1.00 0.00 H new ATOM 0 HA SER A 752 11.633 11.138 -15.331 1.00 0.00 H new ATOM 0 HB2 SER A 752 13.078 8.922 -15.043 1.00 0.00 H new ATOM 0 HB3 SER A 752 13.637 9.711 -13.581 1.00 0.00 H new ATOM 0 HG SER A 752 11.750 8.414 -13.212 1.00 0.00 H new ATOM 48 N SER A 753 11.863 12.757 -13.460 1.00 0.00 N ATOM 49 CA SER A 753 11.988 13.840 -12.492 1.00 0.00 C ATOM 50 C SER A 753 11.215 13.520 -11.216 1.00 0.00 C ATOM 51 O SER A 753 10.017 13.786 -11.119 1.00 0.00 O ATOM 52 CB SER A 753 11.480 15.152 -13.094 1.00 0.00 C ATOM 53 OG SER A 753 11.692 15.185 -14.495 1.00 0.00 O ATOM 0 H SER A 753 10.902 12.518 -13.704 1.00 0.00 H new ATOM 0 HA SER A 753 13.043 13.949 -12.240 1.00 0.00 H new ATOM 0 HB2 SER A 753 10.417 15.266 -12.881 1.00 0.00 H new ATOM 0 HB3 SER A 753 11.991 15.993 -12.626 1.00 0.00 H new ATOM 0 HG SER A 753 11.358 16.032 -14.857 1.00 0.00 H new ATOM 59 N GLY A 754 11.910 12.947 -10.238 1.00 0.00 N ATOM 60 CA GLY A 754 11.273 12.600 -8.981 1.00 0.00 C ATOM 61 C GLY A 754 12.272 12.429 -7.853 1.00 0.00 C ATOM 62 O GLY A 754 13.012 11.447 -7.815 1.00 0.00 O ATOM 0 H GLY A 754 12.902 12.717 -10.294 1.00 0.00 H new ATOM 0 HA2 GLY A 754 10.557 13.377 -8.713 1.00 0.00 H new ATOM 0 HA3 GLY A 754 10.709 11.676 -9.106 1.00 0.00 H new ATOM 66 N GLU A 755 12.294 13.389 -6.934 1.00 0.00 N ATOM 67 CA GLU A 755 13.212 13.340 -5.801 1.00 0.00 C ATOM 68 C GLU A 755 12.661 12.449 -4.692 1.00 0.00 C ATOM 69 O GLU A 755 11.515 12.001 -4.751 1.00 0.00 O ATOM 70 CB GLU A 755 13.465 14.749 -5.261 1.00 0.00 C ATOM 71 CG GLU A 755 14.374 15.586 -6.144 1.00 0.00 C ATOM 72 CD GLU A 755 15.845 15.346 -5.861 1.00 0.00 C ATOM 73 OE1 GLU A 755 16.169 14.923 -4.732 1.00 0.00 O ATOM 74 OE2 GLU A 755 16.670 15.581 -6.768 1.00 0.00 O ATOM 0 H GLU A 755 11.688 14.209 -6.951 1.00 0.00 H new ATOM 0 HA GLU A 755 14.155 12.917 -6.148 1.00 0.00 H new ATOM 0 HB2 GLU A 755 12.510 15.262 -5.148 1.00 0.00 H new ATOM 0 HB3 GLU A 755 13.907 14.674 -4.267 1.00 0.00 H new ATOM 0 HG2 GLU A 755 14.167 15.359 -7.190 1.00 0.00 H new ATOM 0 HG3 GLU A 755 14.147 16.642 -5.996 1.00 0.00 H new ATOM 81 N LYS A 756 13.484 12.196 -3.681 1.00 0.00 N ATOM 82 CA LYS A 756 13.081 11.359 -2.557 1.00 0.00 C ATOM 83 C LYS A 756 12.575 10.004 -3.041 1.00 0.00 C ATOM 84 O LYS A 756 11.391 9.683 -2.935 1.00 0.00 O ATOM 85 CB LYS A 756 11.994 12.059 -1.738 1.00 0.00 C ATOM 86 CG LYS A 756 12.497 13.266 -0.966 1.00 0.00 C ATOM 87 CD LYS A 756 11.472 13.745 0.049 1.00 0.00 C ATOM 88 CE LYS A 756 11.681 15.210 0.404 1.00 0.00 C ATOM 89 NZ LYS A 756 10.442 15.831 0.948 1.00 0.00 N ATOM 0 H LYS A 756 14.435 12.559 -3.617 1.00 0.00 H new ATOM 0 HA LYS A 756 13.955 11.196 -1.926 1.00 0.00 H new ATOM 0 HB2 LYS A 756 11.193 12.374 -2.407 1.00 0.00 H new ATOM 0 HB3 LYS A 756 11.562 11.344 -1.037 1.00 0.00 H new ATOM 0 HG2 LYS A 756 13.425 13.011 -0.455 1.00 0.00 H new ATOM 0 HG3 LYS A 756 12.727 14.074 -1.661 1.00 0.00 H new ATOM 0 HD2 LYS A 756 10.468 13.607 -0.353 1.00 0.00 H new ATOM 0 HD3 LYS A 756 11.541 13.138 0.951 1.00 0.00 H new ATOM 0 HE2 LYS A 756 12.482 15.295 1.138 1.00 0.00 H new ATOM 0 HE3 LYS A 756 12.002 15.756 -0.483 1.00 0.00 H new ATOM 0 HZ1 LYS A 756 10.626 16.829 1.178 1.00 0.00 H new ATOM 0 HZ2 LYS A 756 9.684 15.773 0.238 1.00 0.00 H new ATOM 0 HZ3 LYS A 756 10.150 15.326 1.809 1.00 0.00 H new ATOM 103 N PRO A 757 13.492 9.188 -3.583 1.00 0.00 N ATOM 104 CA PRO A 757 13.162 7.854 -4.092 1.00 0.00 C ATOM 105 C PRO A 757 12.906 6.853 -2.970 1.00 0.00 C ATOM 106 O PRO A 757 13.745 5.999 -2.684 1.00 0.00 O ATOM 107 CB PRO A 757 14.408 7.459 -4.887 1.00 0.00 C ATOM 108 CG PRO A 757 15.516 8.238 -4.266 1.00 0.00 C ATOM 109 CD PRO A 757 14.921 9.506 -3.740 1.00 0.00 C ATOM 0 HA PRO A 757 12.246 7.858 -4.684 1.00 0.00 H new ATOM 0 HB2 PRO A 757 14.594 6.387 -4.824 1.00 0.00 H new ATOM 0 HB3 PRO A 757 14.297 7.702 -5.944 1.00 0.00 H new ATOM 0 HG2 PRO A 757 15.983 7.669 -3.462 1.00 0.00 H new ATOM 0 HG3 PRO A 757 16.294 8.452 -4.999 1.00 0.00 H new ATOM 0 HD2 PRO A 757 15.372 9.796 -2.791 1.00 0.00 H new ATOM 0 HD3 PRO A 757 15.072 10.335 -4.431 1.00 0.00 H new ATOM 117 N TYR A 758 11.742 6.963 -2.339 1.00 0.00 N ATOM 118 CA TYR A 758 11.377 6.069 -1.247 1.00 0.00 C ATOM 119 C TYR A 758 10.039 5.390 -1.524 1.00 0.00 C ATOM 120 O TYR A 758 8.978 5.932 -1.213 1.00 0.00 O ATOM 121 CB TYR A 758 11.306 6.841 0.071 1.00 0.00 C ATOM 122 CG TYR A 758 12.632 7.429 0.500 1.00 0.00 C ATOM 123 CD1 TYR A 758 13.520 6.696 1.278 1.00 0.00 C ATOM 124 CD2 TYR A 758 12.996 8.717 0.128 1.00 0.00 C ATOM 125 CE1 TYR A 758 14.732 7.228 1.673 1.00 0.00 C ATOM 126 CE2 TYR A 758 14.207 9.257 0.517 1.00 0.00 C ATOM 127 CZ TYR A 758 15.071 8.509 1.289 1.00 0.00 C ATOM 128 OH TYR A 758 16.277 9.044 1.680 1.00 0.00 O ATOM 0 H TYR A 758 11.035 7.663 -2.565 1.00 0.00 H new ATOM 0 HA TYR A 758 12.146 5.300 -1.169 1.00 0.00 H new ATOM 0 HB2 TYR A 758 10.576 7.645 -0.027 1.00 0.00 H new ATOM 0 HB3 TYR A 758 10.943 6.175 0.854 1.00 0.00 H new ATOM 0 HD1 TYR A 758 13.258 5.693 1.579 1.00 0.00 H new ATOM 0 HD2 TYR A 758 12.321 9.306 -0.475 1.00 0.00 H new ATOM 0 HE1 TYR A 758 15.410 6.645 2.279 1.00 0.00 H new ATOM 0 HE2 TYR A 758 14.475 10.259 0.218 1.00 0.00 H new ATOM 0 HH TYR A 758 16.362 9.954 1.325 1.00 0.00 H new ATOM 138 N VAL A 759 10.097 4.198 -2.110 1.00 0.00 N ATOM 139 CA VAL A 759 8.891 3.442 -2.428 1.00 0.00 C ATOM 140 C VAL A 759 8.995 2.006 -1.927 1.00 0.00 C ATOM 141 O VAL A 759 10.047 1.376 -2.028 1.00 0.00 O ATOM 142 CB VAL A 759 8.622 3.427 -3.944 1.00 0.00 C ATOM 143 CG1 VAL A 759 7.293 2.751 -4.244 1.00 0.00 C ATOM 144 CG2 VAL A 759 8.647 4.842 -4.503 1.00 0.00 C ATOM 0 H VAL A 759 10.967 3.735 -2.374 1.00 0.00 H new ATOM 0 HA VAL A 759 8.063 3.940 -1.924 1.00 0.00 H new ATOM 0 HB VAL A 759 9.412 2.854 -4.430 1.00 0.00 H new ATOM 0 HG11 VAL A 759 7.120 2.750 -5.320 1.00 0.00 H new ATOM 0 HG12 VAL A 759 7.317 1.724 -3.879 1.00 0.00 H new ATOM 0 HG13 VAL A 759 6.488 3.294 -3.748 1.00 0.00 H new ATOM 0 HG21 VAL A 759 8.455 4.813 -5.576 1.00 0.00 H new ATOM 0 HG22 VAL A 759 7.879 5.440 -4.013 1.00 0.00 H new ATOM 0 HG23 VAL A 759 9.625 5.288 -4.321 1.00 0.00 H new ATOM 154 N CYS A 760 7.895 1.494 -1.385 1.00 0.00 N ATOM 155 CA CYS A 760 7.860 0.131 -0.868 1.00 0.00 C ATOM 156 C CYS A 760 7.592 -0.869 -1.988 1.00 0.00 C ATOM 157 O CYS A 760 6.718 -0.656 -2.828 1.00 0.00 O ATOM 158 CB CYS A 760 6.786 0.002 0.214 1.00 0.00 C ATOM 159 SG CYS A 760 6.732 -1.633 1.017 1.00 0.00 S ATOM 0 H CYS A 760 7.016 2.003 -1.292 1.00 0.00 H new ATOM 0 HA CYS A 760 8.834 -0.091 -0.432 1.00 0.00 H new ATOM 0 HB2 CYS A 760 6.959 0.763 0.975 1.00 0.00 H new ATOM 0 HB3 CYS A 760 5.812 0.210 -0.229 1.00 0.00 H new ATOM 164 N GLN A 761 8.351 -1.961 -1.993 1.00 0.00 N ATOM 165 CA GLN A 761 8.196 -2.994 -3.011 1.00 0.00 C ATOM 166 C GLN A 761 7.451 -4.201 -2.451 1.00 0.00 C ATOM 167 O GLN A 761 6.804 -4.940 -3.192 1.00 0.00 O ATOM 168 CB GLN A 761 9.564 -3.425 -3.542 1.00 0.00 C ATOM 169 CG GLN A 761 9.484 -4.385 -4.719 1.00 0.00 C ATOM 170 CD GLN A 761 10.676 -4.268 -5.648 1.00 0.00 C ATOM 171 OE1 GLN A 761 11.764 -4.761 -5.346 1.00 0.00 O ATOM 172 NE2 GLN A 761 10.478 -3.614 -6.787 1.00 0.00 N ATOM 0 H GLN A 761 9.078 -2.153 -1.304 1.00 0.00 H new ATOM 0 HA GLN A 761 7.611 -2.577 -3.831 1.00 0.00 H new ATOM 0 HB2 GLN A 761 10.123 -2.539 -3.843 1.00 0.00 H new ATOM 0 HB3 GLN A 761 10.125 -3.897 -2.736 1.00 0.00 H new ATOM 0 HG2 GLN A 761 9.418 -5.407 -4.346 1.00 0.00 H new ATOM 0 HG3 GLN A 761 8.570 -4.191 -5.280 1.00 0.00 H new ATOM 0 HE21 GLN A 761 9.560 -3.222 -6.997 1.00 0.00 H new ATOM 0 HE22 GLN A 761 11.244 -3.504 -7.452 1.00 0.00 H new ATOM 181 N GLU A 762 7.547 -4.394 -1.139 1.00 0.00 N ATOM 182 CA GLU A 762 6.882 -5.513 -0.482 1.00 0.00 C ATOM 183 C GLU A 762 5.400 -5.554 -0.844 1.00 0.00 C ATOM 184 O GLU A 762 4.894 -6.570 -1.321 1.00 0.00 O ATOM 185 CB GLU A 762 7.045 -5.411 1.036 1.00 0.00 C ATOM 186 CG GLU A 762 8.491 -5.472 1.499 1.00 0.00 C ATOM 187 CD GLU A 762 9.255 -6.622 0.874 1.00 0.00 C ATOM 188 OE1 GLU A 762 8.701 -7.740 0.813 1.00 0.00 O ATOM 189 OE2 GLU A 762 10.407 -6.404 0.445 1.00 0.00 O ATOM 0 H GLU A 762 8.078 -3.791 -0.511 1.00 0.00 H new ATOM 0 HA GLU A 762 7.348 -6.435 -0.829 1.00 0.00 H new ATOM 0 HB2 GLU A 762 6.602 -4.476 1.378 1.00 0.00 H new ATOM 0 HB3 GLU A 762 6.487 -6.220 1.508 1.00 0.00 H new ATOM 0 HG2 GLU A 762 8.988 -4.534 1.252 1.00 0.00 H new ATOM 0 HG3 GLU A 762 8.517 -5.570 2.584 1.00 0.00 H new ATOM 196 N CYS A 763 4.709 -4.443 -0.613 1.00 0.00 N ATOM 197 CA CYS A 763 3.286 -4.350 -0.913 1.00 0.00 C ATOM 198 C CYS A 763 3.044 -3.470 -2.135 1.00 0.00 C ATOM 199 O CYS A 763 2.065 -3.649 -2.859 1.00 0.00 O ATOM 200 CB CYS A 763 2.525 -3.791 0.291 1.00 0.00 C ATOM 201 SG CYS A 763 2.971 -2.078 0.722 1.00 0.00 S ATOM 0 H CYS A 763 5.113 -3.593 -0.218 1.00 0.00 H new ATOM 0 HA CYS A 763 2.920 -5.353 -1.132 1.00 0.00 H new ATOM 0 HB2 CYS A 763 1.456 -3.836 0.084 1.00 0.00 H new ATOM 0 HB3 CYS A 763 2.710 -4.431 1.153 1.00 0.00 H new ATOM 206 N GLY A 764 3.943 -2.516 -2.359 1.00 0.00 N ATOM 207 CA GLY A 764 3.810 -1.622 -3.494 1.00 0.00 C ATOM 208 C GLY A 764 3.108 -0.328 -3.133 1.00 0.00 C ATOM 209 O GLY A 764 1.958 -0.109 -3.515 1.00 0.00 O ATOM 0 H GLY A 764 4.761 -2.347 -1.774 1.00 0.00 H new ATOM 0 HA2 GLY A 764 4.799 -1.396 -3.893 1.00 0.00 H new ATOM 0 HA3 GLY A 764 3.254 -2.125 -4.286 1.00 0.00 H new ATOM 213 N LYS A 765 3.799 0.532 -2.393 1.00 0.00 N ATOM 214 CA LYS A 765 3.235 1.812 -1.980 1.00 0.00 C ATOM 215 C LYS A 765 4.292 2.911 -2.023 1.00 0.00 C ATOM 216 O LYS A 765 5.368 2.774 -1.441 1.00 0.00 O ATOM 217 CB LYS A 765 2.653 1.704 -0.569 1.00 0.00 C ATOM 218 CG LYS A 765 1.307 1.002 -0.518 1.00 0.00 C ATOM 219 CD LYS A 765 0.165 1.965 -0.795 1.00 0.00 C ATOM 220 CE LYS A 765 -1.187 1.291 -0.621 1.00 0.00 C ATOM 221 NZ LYS A 765 -1.519 1.075 0.814 1.00 0.00 N ATOM 0 H LYS A 765 4.751 0.366 -2.067 1.00 0.00 H new ATOM 0 HA LYS A 765 2.438 2.072 -2.676 1.00 0.00 H new ATOM 0 HB2 LYS A 765 3.358 1.167 0.065 1.00 0.00 H new ATOM 0 HB3 LYS A 765 2.547 2.705 -0.151 1.00 0.00 H new ATOM 0 HG2 LYS A 765 1.289 0.195 -1.250 1.00 0.00 H new ATOM 0 HG3 LYS A 765 1.170 0.546 0.463 1.00 0.00 H new ATOM 0 HD2 LYS A 765 0.236 2.819 -0.121 1.00 0.00 H new ATOM 0 HD3 LYS A 765 0.252 2.352 -1.810 1.00 0.00 H new ATOM 0 HE2 LYS A 765 -1.960 1.904 -1.084 1.00 0.00 H new ATOM 0 HE3 LYS A 765 -1.185 0.333 -1.141 1.00 0.00 H new ATOM 0 HZ1 LYS A 765 -2.482 0.692 0.894 1.00 0.00 H new ATOM 0 HZ2 LYS A 765 -0.843 0.402 1.229 1.00 0.00 H new ATOM 0 HZ3 LYS A 765 -1.463 1.980 1.323 1.00 0.00 H new ATOM 235 N ALA A 766 3.977 4.002 -2.713 1.00 0.00 N ATOM 236 CA ALA A 766 4.898 5.126 -2.828 1.00 0.00 C ATOM 237 C ALA A 766 4.460 6.288 -1.943 1.00 0.00 C ATOM 238 O ALA A 766 3.290 6.394 -1.575 1.00 0.00 O ATOM 239 CB ALA A 766 5.004 5.575 -4.278 1.00 0.00 C ATOM 0 H ALA A 766 3.091 4.131 -3.201 1.00 0.00 H new ATOM 0 HA ALA A 766 5.880 4.795 -2.489 1.00 0.00 H new ATOM 0 HB1 ALA A 766 5.695 6.415 -4.349 1.00 0.00 H new ATOM 0 HB2 ALA A 766 5.371 4.750 -4.888 1.00 0.00 H new ATOM 0 HB3 ALA A 766 4.022 5.882 -4.637 1.00 0.00 H new ATOM 245 N PHE A 767 5.406 7.157 -1.604 1.00 0.00 N ATOM 246 CA PHE A 767 5.118 8.311 -0.760 1.00 0.00 C ATOM 247 C PHE A 767 5.839 9.553 -1.273 1.00 0.00 C ATOM 248 O PHE A 767 6.983 9.480 -1.724 1.00 0.00 O ATOM 249 CB PHE A 767 5.530 8.027 0.686 1.00 0.00 C ATOM 250 CG PHE A 767 5.054 6.697 1.195 1.00 0.00 C ATOM 251 CD1 PHE A 767 3.700 6.427 1.307 1.00 0.00 C ATOM 252 CD2 PHE A 767 5.961 5.716 1.563 1.00 0.00 C ATOM 253 CE1 PHE A 767 3.258 5.204 1.776 1.00 0.00 C ATOM 254 CE2 PHE A 767 5.526 4.491 2.031 1.00 0.00 C ATOM 255 CZ PHE A 767 4.173 4.235 2.139 1.00 0.00 C ATOM 0 H PHE A 767 6.379 7.084 -1.901 1.00 0.00 H new ATOM 0 HA PHE A 767 4.044 8.497 -0.794 1.00 0.00 H new ATOM 0 HB2 PHE A 767 6.617 8.068 0.760 1.00 0.00 H new ATOM 0 HB3 PHE A 767 5.137 8.815 1.329 1.00 0.00 H new ATOM 0 HD1 PHE A 767 2.981 7.181 1.024 1.00 0.00 H new ATOM 0 HD2 PHE A 767 7.020 5.911 1.483 1.00 0.00 H new ATOM 0 HE1 PHE A 767 2.199 5.007 1.858 1.00 0.00 H new ATOM 0 HE2 PHE A 767 6.243 3.734 2.312 1.00 0.00 H new ATOM 0 HZ PHE A 767 3.831 3.279 2.507 1.00 0.00 H new ATOM 265 N THR A 768 5.163 10.696 -1.200 1.00 0.00 N ATOM 266 CA THR A 768 5.737 11.954 -1.658 1.00 0.00 C ATOM 267 C THR A 768 5.824 12.965 -0.520 1.00 0.00 C ATOM 268 O THR A 768 6.749 13.774 -0.466 1.00 0.00 O ATOM 269 CB THR A 768 4.913 12.563 -2.808 1.00 0.00 C ATOM 270 OG1 THR A 768 3.518 12.509 -2.493 1.00 0.00 O ATOM 271 CG2 THR A 768 5.173 11.821 -4.111 1.00 0.00 C ATOM 0 H THR A 768 4.217 10.775 -0.828 1.00 0.00 H new ATOM 0 HA THR A 768 6.741 11.730 -2.020 1.00 0.00 H new ATOM 0 HB THR A 768 5.217 13.602 -2.933 1.00 0.00 H new ATOM 0 HG1 THR A 768 3.001 12.900 -3.228 1.00 0.00 H new ATOM 0 HG21 THR A 768 4.580 12.268 -4.909 1.00 0.00 H new ATOM 0 HG22 THR A 768 6.231 11.889 -4.363 1.00 0.00 H new ATOM 0 HG23 THR A 768 4.894 10.774 -3.995 1.00 0.00 H new ATOM 279 N GLN A 769 4.854 12.912 0.387 1.00 0.00 N ATOM 280 CA GLN A 769 4.821 13.824 1.524 1.00 0.00 C ATOM 281 C GLN A 769 6.124 13.756 2.314 1.00 0.00 C ATOM 282 O GLN A 769 6.948 14.667 2.251 1.00 0.00 O ATOM 283 CB GLN A 769 3.639 13.493 2.437 1.00 0.00 C ATOM 284 CG GLN A 769 2.350 14.194 2.042 1.00 0.00 C ATOM 285 CD GLN A 769 1.114 13.435 2.483 1.00 0.00 C ATOM 286 OE1 GLN A 769 0.315 13.934 3.276 1.00 0.00 O ATOM 287 NE2 GLN A 769 0.950 12.221 1.969 1.00 0.00 N ATOM 0 H GLN A 769 4.081 12.247 0.357 1.00 0.00 H new ATOM 0 HA GLN A 769 4.702 14.838 1.141 1.00 0.00 H new ATOM 0 HB2 GLN A 769 3.474 12.416 2.428 1.00 0.00 H new ATOM 0 HB3 GLN A 769 3.893 13.768 3.461 1.00 0.00 H new ATOM 0 HG2 GLN A 769 2.335 15.192 2.480 1.00 0.00 H new ATOM 0 HG3 GLN A 769 2.327 14.321 0.960 1.00 0.00 H new ATOM 0 HE21 GLN A 769 1.638 11.847 1.315 1.00 0.00 H new ATOM 0 HE22 GLN A 769 0.136 11.663 2.228 1.00 0.00 H new ATOM 296 N SER A 770 6.302 12.669 3.059 1.00 0.00 N ATOM 297 CA SER A 770 7.503 12.484 3.865 1.00 0.00 C ATOM 298 C SER A 770 8.011 11.049 3.761 1.00 0.00 C ATOM 299 O SER A 770 7.457 10.235 3.022 1.00 0.00 O ATOM 300 CB SER A 770 7.220 12.832 5.328 1.00 0.00 C ATOM 301 OG SER A 770 6.371 13.962 5.428 1.00 0.00 O ATOM 0 H SER A 770 5.630 11.904 3.121 1.00 0.00 H new ATOM 0 HA SER A 770 8.274 13.153 3.483 1.00 0.00 H new ATOM 0 HB2 SER A 770 6.756 11.980 5.825 1.00 0.00 H new ATOM 0 HB3 SER A 770 8.158 13.031 5.846 1.00 0.00 H new ATOM 0 HG SER A 770 6.204 14.163 6.372 1.00 0.00 H new ATOM 307 N SER A 771 9.068 10.746 4.508 1.00 0.00 N ATOM 308 CA SER A 771 9.654 9.411 4.498 1.00 0.00 C ATOM 309 C SER A 771 8.803 8.438 5.309 1.00 0.00 C ATOM 310 O SER A 771 9.137 8.104 6.446 1.00 0.00 O ATOM 311 CB SER A 771 11.077 9.452 5.059 1.00 0.00 C ATOM 312 OG SER A 771 11.636 8.151 5.127 1.00 0.00 O ATOM 0 H SER A 771 9.536 11.407 5.128 1.00 0.00 H new ATOM 0 HA SER A 771 9.688 9.063 3.466 1.00 0.00 H new ATOM 0 HB2 SER A 771 11.701 10.087 4.430 1.00 0.00 H new ATOM 0 HB3 SER A 771 11.067 9.899 6.053 1.00 0.00 H new ATOM 0 HG SER A 771 12.546 8.204 5.487 1.00 0.00 H new ATOM 318 N CYS A 772 7.703 7.989 4.715 1.00 0.00 N ATOM 319 CA CYS A 772 6.803 7.054 5.382 1.00 0.00 C ATOM 320 C CYS A 772 7.311 5.622 5.252 1.00 0.00 C ATOM 321 O CYS A 772 7.019 4.770 6.092 1.00 0.00 O ATOM 322 CB CYS A 772 5.395 7.164 4.794 1.00 0.00 C ATOM 323 SG CYS A 772 4.365 8.428 5.576 1.00 0.00 S ATOM 0 H CYS A 772 7.413 8.256 3.774 1.00 0.00 H new ATOM 0 HA CYS A 772 6.769 7.312 6.440 1.00 0.00 H new ATOM 0 HB2 CYS A 772 5.474 7.382 3.729 1.00 0.00 H new ATOM 0 HB3 CYS A 772 4.898 6.198 4.885 1.00 0.00 H new ATOM 0 HG CYS A 772 3.195 8.446 5.009 1.00 0.00 H new ATOM 329 N LEU A 773 8.072 5.364 4.194 1.00 0.00 N ATOM 330 CA LEU A 773 8.620 4.034 3.952 1.00 0.00 C ATOM 331 C LEU A 773 9.376 3.526 5.176 1.00 0.00 C ATOM 332 O LEU A 773 9.431 2.323 5.429 1.00 0.00 O ATOM 333 CB LEU A 773 9.550 4.057 2.738 1.00 0.00 C ATOM 334 CG LEU A 773 10.261 2.743 2.412 1.00 0.00 C ATOM 335 CD1 LEU A 773 9.311 1.780 1.718 1.00 0.00 C ATOM 336 CD2 LEU A 773 11.488 3.001 1.549 1.00 0.00 C ATOM 0 H LEU A 773 8.324 6.058 3.490 1.00 0.00 H new ATOM 0 HA LEU A 773 7.790 3.357 3.753 1.00 0.00 H new ATOM 0 HB2 LEU A 773 8.969 4.359 1.866 1.00 0.00 H new ATOM 0 HB3 LEU A 773 10.306 4.826 2.899 1.00 0.00 H new ATOM 0 HG LEU A 773 10.588 2.287 3.346 1.00 0.00 H new ATOM 0 HD11 LEU A 773 9.835 0.851 1.494 1.00 0.00 H new ATOM 0 HD12 LEU A 773 8.464 1.571 2.371 1.00 0.00 H new ATOM 0 HD13 LEU A 773 8.953 2.227 0.791 1.00 0.00 H new ATOM 0 HD21 LEU A 773 11.982 2.055 1.327 1.00 0.00 H new ATOM 0 HD22 LEU A 773 11.184 3.479 0.618 1.00 0.00 H new ATOM 0 HD23 LEU A 773 12.178 3.654 2.084 1.00 0.00 H new ATOM 348 N SER A 774 9.956 4.452 5.933 1.00 0.00 N ATOM 349 CA SER A 774 10.710 4.098 7.130 1.00 0.00 C ATOM 350 C SER A 774 9.841 3.313 8.108 1.00 0.00 C ATOM 351 O SER A 774 10.031 2.111 8.298 1.00 0.00 O ATOM 352 CB SER A 774 11.251 5.358 7.809 1.00 0.00 C ATOM 353 OG SER A 774 11.579 5.106 9.164 1.00 0.00 O ATOM 0 H SER A 774 9.918 5.453 5.739 1.00 0.00 H new ATOM 0 HA SER A 774 11.547 3.468 6.829 1.00 0.00 H new ATOM 0 HB2 SER A 774 12.135 5.711 7.277 1.00 0.00 H new ATOM 0 HB3 SER A 774 10.507 6.153 7.753 1.00 0.00 H new ATOM 0 HG SER A 774 11.924 5.926 9.575 1.00 0.00 H new ATOM 359 N ILE A 775 8.886 4.001 8.725 1.00 0.00 N ATOM 360 CA ILE A 775 7.987 3.369 9.682 1.00 0.00 C ATOM 361 C ILE A 775 7.128 2.303 9.008 1.00 0.00 C ATOM 362 O ILE A 775 6.684 1.351 9.651 1.00 0.00 O ATOM 363 CB ILE A 775 7.066 4.403 10.356 1.00 0.00 C ATOM 364 CG1 ILE A 775 7.897 5.508 11.011 1.00 0.00 C ATOM 365 CG2 ILE A 775 6.173 3.725 11.385 1.00 0.00 C ATOM 366 CD1 ILE A 775 7.073 6.688 11.477 1.00 0.00 C ATOM 0 H ILE A 775 8.715 4.996 8.579 1.00 0.00 H new ATOM 0 HA ILE A 775 8.613 2.901 10.442 1.00 0.00 H new ATOM 0 HB ILE A 775 6.432 4.855 9.593 1.00 0.00 H new ATOM 0 HG12 ILE A 775 8.434 5.091 11.863 1.00 0.00 H new ATOM 0 HG13 ILE A 775 8.647 5.857 10.301 1.00 0.00 H new ATOM 0 HG21 ILE A 775 5.528 4.468 11.853 1.00 0.00 H new ATOM 0 HG22 ILE A 775 5.560 2.970 10.893 1.00 0.00 H new ATOM 0 HG23 ILE A 775 6.791 3.250 12.147 1.00 0.00 H new ATOM 0 HD11 ILE A 775 7.727 7.432 11.931 1.00 0.00 H new ATOM 0 HD12 ILE A 775 6.557 7.130 10.625 1.00 0.00 H new ATOM 0 HD13 ILE A 775 6.340 6.353 12.211 1.00 0.00 H new ATOM 378 N HIS A 776 6.900 2.469 7.709 1.00 0.00 N ATOM 379 CA HIS A 776 6.096 1.520 6.947 1.00 0.00 C ATOM 380 C HIS A 776 6.790 0.163 6.867 1.00 0.00 C ATOM 381 O HIS A 776 6.144 -0.881 6.957 1.00 0.00 O ATOM 382 CB HIS A 776 5.834 2.056 5.540 1.00 0.00 C ATOM 383 CG HIS A 776 4.977 1.155 4.706 1.00 0.00 C ATOM 384 ND1 HIS A 776 3.660 0.878 5.007 1.00 0.00 N ATOM 385 CD2 HIS A 776 5.255 0.467 3.573 1.00 0.00 C ATOM 386 CE1 HIS A 776 3.165 0.058 4.097 1.00 0.00 C ATOM 387 NE2 HIS A 776 4.113 -0.206 3.215 1.00 0.00 N ATOM 0 H HIS A 776 7.260 3.251 7.162 1.00 0.00 H new ATOM 0 HA HIS A 776 5.144 1.392 7.461 1.00 0.00 H new ATOM 0 HB2 HIS A 776 5.355 3.032 5.615 1.00 0.00 H new ATOM 0 HB3 HIS A 776 6.788 2.207 5.034 1.00 0.00 H new ATOM 0 HD1 HIS A 776 3.148 1.248 5.808 1.00 0.00 H new ATOM 0 HD2 HIS A 776 6.199 0.451 3.049 1.00 0.00 H new ATOM 0 HE1 HIS A 776 2.157 -0.330 4.077 1.00 0.00 H new ATOM 395 N ARG A 777 8.107 0.186 6.696 1.00 0.00 N ATOM 396 CA ARG A 777 8.887 -1.042 6.601 1.00 0.00 C ATOM 397 C ARG A 777 8.904 -1.780 7.937 1.00 0.00 C ATOM 398 O ARG A 777 9.026 -3.004 7.979 1.00 0.00 O ATOM 399 CB ARG A 777 10.319 -0.729 6.162 1.00 0.00 C ATOM 400 CG ARG A 777 10.477 -0.585 4.657 1.00 0.00 C ATOM 401 CD ARG A 777 11.941 -0.497 4.256 1.00 0.00 C ATOM 402 NE ARG A 777 12.623 0.613 4.917 1.00 0.00 N ATOM 403 CZ ARG A 777 13.944 0.706 5.021 1.00 0.00 C ATOM 404 NH1 ARG A 777 14.721 -0.239 4.510 1.00 0.00 N ATOM 405 NH2 ARG A 777 14.490 1.747 5.636 1.00 0.00 N ATOM 0 H ARG A 777 8.657 1.042 6.620 1.00 0.00 H new ATOM 0 HA ARG A 777 8.417 -1.684 5.856 1.00 0.00 H new ATOM 0 HB2 ARG A 777 10.644 0.194 6.643 1.00 0.00 H new ATOM 0 HB3 ARG A 777 10.979 -1.522 6.514 1.00 0.00 H new ATOM 0 HG2 ARG A 777 10.013 -1.436 4.158 1.00 0.00 H new ATOM 0 HG3 ARG A 777 9.952 0.308 4.319 1.00 0.00 H new ATOM 0 HD2 ARG A 777 12.443 -1.432 4.507 1.00 0.00 H new ATOM 0 HD3 ARG A 777 12.014 -0.376 3.175 1.00 0.00 H new ATOM 0 HE ARG A 777 12.054 1.357 5.321 1.00 0.00 H new ATOM 0 HH11 ARG A 777 14.305 -1.040 4.035 1.00 0.00 H new ATOM 0 HH12 ARG A 777 15.735 -0.165 4.591 1.00 0.00 H new ATOM 0 HH21 ARG A 777 13.895 2.476 6.029 1.00 0.00 H new ATOM 0 HH22 ARG A 777 15.504 1.818 5.716 1.00 0.00 H new ATOM 419 N ARG A 778 8.780 -1.027 9.025 1.00 0.00 N ATOM 420 CA ARG A 778 8.782 -1.609 10.361 1.00 0.00 C ATOM 421 C ARG A 778 7.709 -2.686 10.487 1.00 0.00 C ATOM 422 O ARG A 778 7.865 -3.649 11.238 1.00 0.00 O ATOM 423 CB ARG A 778 8.555 -0.523 11.414 1.00 0.00 C ATOM 424 CG ARG A 778 9.552 0.622 11.333 1.00 0.00 C ATOM 425 CD ARG A 778 10.977 0.136 11.543 1.00 0.00 C ATOM 426 NE ARG A 778 11.571 -0.369 10.308 1.00 0.00 N ATOM 427 CZ ARG A 778 12.865 -0.631 10.168 1.00 0.00 C ATOM 428 NH1 ARG A 778 13.698 -0.437 11.182 1.00 0.00 N ATOM 429 NH2 ARG A 778 13.330 -1.089 9.013 1.00 0.00 N ATOM 0 H ARG A 778 8.677 -0.012 9.007 1.00 0.00 H new ATOM 0 HA ARG A 778 9.756 -2.069 10.527 1.00 0.00 H new ATOM 0 HB2 ARG A 778 7.547 -0.124 11.301 1.00 0.00 H new ATOM 0 HB3 ARG A 778 8.611 -0.973 12.405 1.00 0.00 H new ATOM 0 HG2 ARG A 778 9.472 1.108 10.360 1.00 0.00 H new ATOM 0 HG3 ARG A 778 9.308 1.372 12.085 1.00 0.00 H new ATOM 0 HD2 ARG A 778 11.585 0.953 11.930 1.00 0.00 H new ATOM 0 HD3 ARG A 778 10.984 -0.651 12.297 1.00 0.00 H new ATOM 0 HE ARG A 778 10.958 -0.529 9.509 1.00 0.00 H new ATOM 0 HH11 ARG A 778 13.345 -0.086 12.072 1.00 0.00 H new ATOM 0 HH12 ARG A 778 14.692 -0.639 11.072 1.00 0.00 H new ATOM 0 HH21 ARG A 778 12.693 -1.240 8.231 1.00 0.00 H new ATOM 0 HH22 ARG A 778 14.324 -1.290 8.907 1.00 0.00 H new ATOM 443 N VAL A 779 6.618 -2.516 9.746 1.00 0.00 N ATOM 444 CA VAL A 779 5.519 -3.474 9.774 1.00 0.00 C ATOM 445 C VAL A 779 5.530 -4.360 8.533 1.00 0.00 C ATOM 446 O VAL A 779 4.488 -4.611 7.927 1.00 0.00 O ATOM 447 CB VAL A 779 4.156 -2.761 9.870 1.00 0.00 C ATOM 448 CG1 VAL A 779 3.995 -2.098 11.229 1.00 0.00 C ATOM 449 CG2 VAL A 779 4.008 -1.743 8.750 1.00 0.00 C ATOM 0 H VAL A 779 6.472 -1.724 9.120 1.00 0.00 H new ATOM 0 HA VAL A 779 5.661 -4.093 10.660 1.00 0.00 H new ATOM 0 HB VAL A 779 3.367 -3.505 9.760 1.00 0.00 H new ATOM 0 HG11 VAL A 779 3.027 -1.600 11.278 1.00 0.00 H new ATOM 0 HG12 VAL A 779 4.054 -2.854 12.012 1.00 0.00 H new ATOM 0 HG13 VAL A 779 4.788 -1.364 11.372 1.00 0.00 H new ATOM 0 HG21 VAL A 779 3.040 -1.249 8.833 1.00 0.00 H new ATOM 0 HG22 VAL A 779 4.802 -1.000 8.826 1.00 0.00 H new ATOM 0 HG23 VAL A 779 4.076 -2.249 7.787 1.00 0.00 H new ATOM 459 N HIS A 780 6.716 -4.832 8.161 1.00 0.00 N ATOM 460 CA HIS A 780 6.863 -5.692 6.992 1.00 0.00 C ATOM 461 C HIS A 780 7.853 -6.819 7.268 1.00 0.00 C ATOM 462 O HIS A 780 9.027 -6.575 7.548 1.00 0.00 O ATOM 463 CB HIS A 780 7.328 -4.874 5.786 1.00 0.00 C ATOM 464 CG HIS A 780 6.202 -4.304 4.980 1.00 0.00 C ATOM 465 ND1 HIS A 780 5.047 -5.003 4.699 1.00 0.00 N ATOM 466 CD2 HIS A 780 6.058 -3.092 4.394 1.00 0.00 C ATOM 467 CE1 HIS A 780 4.242 -4.248 3.974 1.00 0.00 C ATOM 468 NE2 HIS A 780 4.832 -3.082 3.775 1.00 0.00 N ATOM 0 H HIS A 780 7.588 -4.634 8.652 1.00 0.00 H new ATOM 0 HA HIS A 780 5.891 -6.132 6.771 1.00 0.00 H new ATOM 0 HB2 HIS A 780 7.964 -4.060 6.133 1.00 0.00 H new ATOM 0 HB3 HIS A 780 7.941 -5.506 5.143 1.00 0.00 H new ATOM 0 HD1 HIS A 780 4.846 -5.955 5.004 1.00 0.00 H new ATOM 0 HD2 HIS A 780 6.774 -2.284 4.410 1.00 0.00 H new ATOM 0 HE1 HIS A 780 3.268 -4.534 3.606 1.00 0.00 H new ATOM 476 N THR A 781 7.371 -8.056 7.190 1.00 0.00 N ATOM 477 CA THR A 781 8.212 -9.221 7.433 1.00 0.00 C ATOM 478 C THR A 781 9.280 -9.363 6.354 1.00 0.00 C ATOM 479 O THR A 781 9.060 -9.006 5.198 1.00 0.00 O ATOM 480 CB THR A 781 7.378 -10.514 7.488 1.00 0.00 C ATOM 481 OG1 THR A 781 8.228 -11.634 7.759 1.00 0.00 O ATOM 482 CG2 THR A 781 6.639 -10.738 6.177 1.00 0.00 C ATOM 0 H THR A 781 6.402 -8.276 6.960 1.00 0.00 H new ATOM 0 HA THR A 781 8.694 -9.067 8.399 1.00 0.00 H new ATOM 0 HB THR A 781 6.644 -10.413 8.288 1.00 0.00 H new ATOM 0 HG1 THR A 781 7.690 -12.452 7.794 1.00 0.00 H new ATOM 0 HG21 THR A 781 6.057 -11.657 6.240 1.00 0.00 H new ATOM 0 HG22 THR A 781 5.971 -9.898 5.988 1.00 0.00 H new ATOM 0 HG23 THR A 781 7.359 -10.820 5.363 1.00 0.00 H new ATOM 490 N GLY A 782 10.439 -9.889 6.741 1.00 0.00 N ATOM 491 CA GLY A 782 11.523 -10.070 5.794 1.00 0.00 C ATOM 492 C GLY A 782 12.808 -10.517 6.462 1.00 0.00 C ATOM 493 O GLY A 782 13.583 -9.692 6.946 1.00 0.00 O ATOM 0 H GLY A 782 10.646 -10.192 7.693 1.00 0.00 H new ATOM 0 HA2 GLY A 782 11.230 -10.808 5.047 1.00 0.00 H new ATOM 0 HA3 GLY A 782 11.699 -9.134 5.265 1.00 0.00 H new ATOM 497 N GLU A 783 13.034 -11.827 6.492 1.00 0.00 N ATOM 498 CA GLU A 783 14.233 -12.382 7.109 1.00 0.00 C ATOM 499 C GLU A 783 14.982 -13.281 6.130 1.00 0.00 C ATOM 500 O GLU A 783 14.423 -13.728 5.129 1.00 0.00 O ATOM 501 CB GLU A 783 13.867 -13.172 8.367 1.00 0.00 C ATOM 502 CG GLU A 783 13.105 -14.455 8.080 1.00 0.00 C ATOM 503 CD GLU A 783 12.704 -15.190 9.343 1.00 0.00 C ATOM 504 OE1 GLU A 783 11.815 -14.690 10.063 1.00 0.00 O ATOM 505 OE2 GLU A 783 13.279 -16.266 9.613 1.00 0.00 O ATOM 0 H GLU A 783 12.402 -12.523 6.096 1.00 0.00 H new ATOM 0 HA GLU A 783 14.885 -11.554 7.386 1.00 0.00 H new ATOM 0 HB2 GLU A 783 14.779 -13.415 8.911 1.00 0.00 H new ATOM 0 HB3 GLU A 783 13.265 -12.540 9.020 1.00 0.00 H new ATOM 0 HG2 GLU A 783 12.212 -14.221 7.501 1.00 0.00 H new ATOM 0 HG3 GLU A 783 13.722 -15.109 7.464 1.00 0.00 H new ATOM 512 N SER A 784 16.251 -13.541 6.427 1.00 0.00 N ATOM 513 CA SER A 784 17.080 -14.383 5.572 1.00 0.00 C ATOM 514 C SER A 784 18.063 -15.201 6.404 1.00 0.00 C ATOM 515 O SER A 784 18.821 -14.655 7.204 1.00 0.00 O ATOM 516 CB SER A 784 17.841 -13.525 4.560 1.00 0.00 C ATOM 517 OG SER A 784 18.694 -14.322 3.756 1.00 0.00 O ATOM 0 H SER A 784 16.728 -13.181 7.254 1.00 0.00 H new ATOM 0 HA SER A 784 16.426 -15.070 5.036 1.00 0.00 H new ATOM 0 HB2 SER A 784 17.133 -12.991 3.926 1.00 0.00 H new ATOM 0 HB3 SER A 784 18.429 -12.773 5.086 1.00 0.00 H new ATOM 0 HG SER A 784 19.168 -13.751 3.116 1.00 0.00 H new ATOM 523 N GLY A 785 18.043 -16.516 6.208 1.00 0.00 N ATOM 524 CA GLY A 785 18.936 -17.390 6.946 1.00 0.00 C ATOM 525 C GLY A 785 20.274 -17.568 6.256 1.00 0.00 C ATOM 526 O GLY A 785 20.549 -16.961 5.221 1.00 0.00 O ATOM 0 H GLY A 785 17.424 -16.992 5.551 1.00 0.00 H new ATOM 0 HA2 GLY A 785 19.097 -16.982 7.944 1.00 0.00 H new ATOM 0 HA3 GLY A 785 18.464 -18.364 7.073 1.00 0.00 H new ATOM 530 N PRO A 786 21.135 -18.417 6.837 1.00 0.00 N ATOM 531 CA PRO A 786 22.467 -18.692 6.288 1.00 0.00 C ATOM 532 C PRO A 786 22.410 -19.564 5.038 1.00 0.00 C ATOM 533 O PRO A 786 22.122 -20.758 5.115 1.00 0.00 O ATOM 534 CB PRO A 786 23.172 -19.435 7.426 1.00 0.00 C ATOM 535 CG PRO A 786 22.071 -20.062 8.210 1.00 0.00 C ATOM 536 CD PRO A 786 20.875 -19.175 8.072 1.00 0.00 C ATOM 0 HA PRO A 786 22.976 -17.780 5.975 1.00 0.00 H new ATOM 0 HB2 PRO A 786 23.861 -20.187 7.041 1.00 0.00 H new ATOM 0 HB3 PRO A 786 23.757 -18.752 8.042 1.00 0.00 H new ATOM 0 HG2 PRO A 786 21.854 -21.063 7.837 1.00 0.00 H new ATOM 0 HG3 PRO A 786 22.355 -20.167 9.257 1.00 0.00 H new ATOM 0 HD2 PRO A 786 19.955 -19.754 7.999 1.00 0.00 H new ATOM 0 HD3 PRO A 786 20.767 -18.513 8.931 1.00 0.00 H new ATOM 544 N SER A 787 22.688 -18.958 3.888 1.00 0.00 N ATOM 545 CA SER A 787 22.665 -19.679 2.620 1.00 0.00 C ATOM 546 C SER A 787 23.998 -19.538 1.891 1.00 0.00 C ATOM 547 O SER A 787 24.505 -18.431 1.709 1.00 0.00 O ATOM 548 CB SER A 787 21.530 -19.161 1.735 1.00 0.00 C ATOM 549 OG SER A 787 21.080 -20.166 0.842 1.00 0.00 O ATOM 0 H SER A 787 22.932 -17.971 3.808 1.00 0.00 H new ATOM 0 HA SER A 787 22.497 -20.735 2.834 1.00 0.00 H new ATOM 0 HB2 SER A 787 20.701 -18.827 2.359 1.00 0.00 H new ATOM 0 HB3 SER A 787 21.872 -18.294 1.169 1.00 0.00 H new ATOM 0 HG SER A 787 20.353 -19.811 0.289 1.00 0.00 H new ATOM 555 N SER A 788 24.561 -20.669 1.477 1.00 0.00 N ATOM 556 CA SER A 788 25.837 -20.674 0.772 1.00 0.00 C ATOM 557 C SER A 788 25.623 -20.686 -0.739 1.00 0.00 C ATOM 558 O SER A 788 26.295 -19.969 -1.478 1.00 0.00 O ATOM 559 CB SER A 788 26.671 -21.887 1.190 1.00 0.00 C ATOM 560 OG SER A 788 27.625 -22.217 0.195 1.00 0.00 O ATOM 0 H SER A 788 24.153 -21.593 1.618 1.00 0.00 H new ATOM 0 HA SER A 788 26.374 -19.764 1.038 1.00 0.00 H new ATOM 0 HB2 SER A 788 27.180 -21.676 2.130 1.00 0.00 H new ATOM 0 HB3 SER A 788 26.015 -22.740 1.367 1.00 0.00 H new ATOM 0 HG SER A 788 28.146 -22.994 0.486 1.00 0.00 H new ATOM 566 N GLY A 789 24.680 -21.507 -1.190 1.00 0.00 N ATOM 567 CA GLY A 789 24.392 -21.599 -2.609 1.00 0.00 C ATOM 568 C GLY A 789 25.572 -22.116 -3.407 1.00 0.00 C ATOM 569 O GLY A 789 26.067 -23.202 -3.109 1.00 0.00 O ATOM 0 H GLY A 789 24.110 -22.111 -0.597 1.00 0.00 H new ATOM 0 HA2 GLY A 789 23.537 -22.258 -2.761 1.00 0.00 H new ATOM 0 HA3 GLY A 789 24.107 -20.616 -2.983 1.00 0.00 H new TER 573 GLY A 789 HETATM 574 ZN ZN A 201 4.680 -1.911 2.120 1.00 0.00 ZN