USER MOD reduce.3.24.130724 H: found=0, std=0, add=275, 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 Single : A 749 SER OG : rot 12:sc= 0.983 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 2:sc= 0.846 USER MOD Single : A 756 LYS NZ :NH3+ -123:sc= 0 (180deg=-0.338) USER MOD Single : A 758 TYR OH : rot 180:sc= 0 USER MOD Single : A 761 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 765 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 768 THR OG1 : rot 180:sc= 0 USER MOD Single : A 769 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 770 SER OG : rot 180:sc= 0 USER MOD Single : A 771 SER OG : rot -57:sc= 0.0159 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 780 HIS : no HD1:sc= -0.581 K(o=-0.58,f=-1.7) 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 2.537 15.253 -26.717 1.00 0.00 N ATOM 2 CA GLY A 748 3.384 14.632 -25.716 1.00 0.00 C ATOM 3 C GLY A 748 3.125 15.171 -24.322 1.00 0.00 C ATOM 4 O GLY A 748 3.840 16.053 -23.848 1.00 0.00 O ATOM 0 HA2 GLY A 748 3.219 13.555 -25.722 1.00 0.00 H new ATOM 0 HA3 GLY A 748 4.430 14.795 -25.977 1.00 0.00 H new ATOM 8 N SER A 749 2.098 14.640 -23.666 1.00 0.00 N ATOM 9 CA SER A 749 1.743 15.076 -22.321 1.00 0.00 C ATOM 10 C SER A 749 2.567 14.335 -21.273 1.00 0.00 C ATOM 11 O SER A 749 2.424 13.125 -21.097 1.00 0.00 O ATOM 12 CB SER A 749 0.251 14.851 -22.066 1.00 0.00 C ATOM 13 OG SER A 749 -0.038 13.472 -21.917 1.00 0.00 O ATOM 0 H SER A 749 1.497 13.907 -24.044 1.00 0.00 H new ATOM 0 HA SER A 749 1.962 16.141 -22.242 1.00 0.00 H new ATOM 0 HB2 SER A 749 -0.053 15.389 -21.168 1.00 0.00 H new ATOM 0 HB3 SER A 749 -0.328 15.260 -22.894 1.00 0.00 H new ATOM 0 HG SER A 749 0.799 12.970 -21.827 1.00 0.00 H new ATOM 19 N SER A 750 3.431 15.070 -20.580 1.00 0.00 N ATOM 20 CA SER A 750 4.282 14.482 -19.552 1.00 0.00 C ATOM 21 C SER A 750 5.046 15.564 -18.795 1.00 0.00 C ATOM 22 O SER A 750 5.230 16.674 -19.294 1.00 0.00 O ATOM 23 CB SER A 750 5.266 13.492 -20.179 1.00 0.00 C ATOM 24 OG SER A 750 5.729 12.557 -19.220 1.00 0.00 O ATOM 0 H SER A 750 3.560 16.073 -20.712 1.00 0.00 H new ATOM 0 HA SER A 750 3.643 13.951 -18.847 1.00 0.00 H new ATOM 0 HB2 SER A 750 4.782 12.965 -21.001 1.00 0.00 H new ATOM 0 HB3 SER A 750 6.112 14.034 -20.602 1.00 0.00 H new ATOM 0 HG SER A 750 6.355 11.935 -19.646 1.00 0.00 H new ATOM 30 N GLY A 751 5.487 15.232 -17.586 1.00 0.00 N ATOM 31 CA GLY A 751 6.226 16.186 -16.778 1.00 0.00 C ATOM 32 C GLY A 751 6.079 15.923 -15.292 1.00 0.00 C ATOM 33 O GLY A 751 5.898 16.852 -14.505 1.00 0.00 O ATOM 0 H GLY A 751 5.346 14.320 -17.151 1.00 0.00 H new ATOM 0 HA2 GLY A 751 7.281 16.146 -17.048 1.00 0.00 H new ATOM 0 HA3 GLY A 751 5.877 17.194 -17.002 1.00 0.00 H new ATOM 37 N SER A 752 6.157 14.653 -14.907 1.00 0.00 N ATOM 38 CA SER A 752 6.027 14.270 -13.506 1.00 0.00 C ATOM 39 C SER A 752 7.336 14.498 -12.756 1.00 0.00 C ATOM 40 O SER A 752 8.136 13.579 -12.588 1.00 0.00 O ATOM 41 CB SER A 752 5.611 12.802 -13.394 1.00 0.00 C ATOM 42 OG SER A 752 4.214 12.652 -13.574 1.00 0.00 O ATOM 0 H SER A 752 6.310 13.872 -15.545 1.00 0.00 H new ATOM 0 HA SER A 752 5.257 14.895 -13.054 1.00 0.00 H new ATOM 0 HB2 SER A 752 6.142 12.212 -14.141 1.00 0.00 H new ATOM 0 HB3 SER A 752 5.899 12.413 -12.417 1.00 0.00 H new ATOM 0 HG SER A 752 3.974 11.705 -13.499 1.00 0.00 H new ATOM 48 N SER A 753 7.546 15.732 -12.308 1.00 0.00 N ATOM 49 CA SER A 753 8.758 16.084 -11.579 1.00 0.00 C ATOM 50 C SER A 753 8.541 15.965 -10.074 1.00 0.00 C ATOM 51 O SER A 753 7.712 16.667 -9.497 1.00 0.00 O ATOM 52 CB SER A 753 9.195 17.508 -11.932 1.00 0.00 C ATOM 53 OG SER A 753 8.393 18.467 -11.266 1.00 0.00 O ATOM 0 H SER A 753 6.892 16.504 -12.437 1.00 0.00 H new ATOM 0 HA SER A 753 9.544 15.387 -11.871 1.00 0.00 H new ATOM 0 HB2 SER A 753 10.240 17.650 -11.657 1.00 0.00 H new ATOM 0 HB3 SER A 753 9.126 17.657 -13.010 1.00 0.00 H new ATOM 0 HG SER A 753 7.744 18.009 -10.692 1.00 0.00 H new ATOM 59 N GLY A 754 9.295 15.069 -9.442 1.00 0.00 N ATOM 60 CA GLY A 754 9.170 14.873 -8.010 1.00 0.00 C ATOM 61 C GLY A 754 10.003 13.710 -7.510 1.00 0.00 C ATOM 62 O GLY A 754 9.800 12.570 -7.925 1.00 0.00 O ATOM 0 H GLY A 754 9.989 14.476 -9.897 1.00 0.00 H new ATOM 0 HA2 GLY A 754 9.475 15.783 -7.494 1.00 0.00 H new ATOM 0 HA3 GLY A 754 8.123 14.700 -7.760 1.00 0.00 H new ATOM 66 N GLU A 755 10.945 13.998 -6.617 1.00 0.00 N ATOM 67 CA GLU A 755 11.813 12.966 -6.062 1.00 0.00 C ATOM 68 C GLU A 755 11.014 11.981 -5.214 1.00 0.00 C ATOM 69 O GLU A 755 10.475 12.340 -4.166 1.00 0.00 O ATOM 70 CB GLU A 755 12.921 13.600 -5.219 1.00 0.00 C ATOM 71 CG GLU A 755 13.901 14.433 -6.028 1.00 0.00 C ATOM 72 CD GLU A 755 13.390 15.835 -6.299 1.00 0.00 C ATOM 73 OE1 GLU A 755 12.663 16.378 -5.442 1.00 0.00 O ATOM 74 OE2 GLU A 755 13.717 16.388 -7.370 1.00 0.00 O ATOM 0 H GLU A 755 11.126 14.937 -6.263 1.00 0.00 H new ATOM 0 HA GLU A 755 12.264 12.422 -6.892 1.00 0.00 H new ATOM 0 HB2 GLU A 755 12.468 14.230 -4.453 1.00 0.00 H new ATOM 0 HB3 GLU A 755 13.468 12.812 -4.701 1.00 0.00 H new ATOM 0 HG2 GLU A 755 14.849 14.493 -5.493 1.00 0.00 H new ATOM 0 HG3 GLU A 755 14.101 13.933 -6.976 1.00 0.00 H new ATOM 81 N LYS A 756 10.940 10.737 -5.674 1.00 0.00 N ATOM 82 CA LYS A 756 10.208 9.698 -4.959 1.00 0.00 C ATOM 83 C LYS A 756 11.083 8.468 -4.741 1.00 0.00 C ATOM 84 O LYS A 756 10.855 7.404 -5.317 1.00 0.00 O ATOM 85 CB LYS A 756 8.947 9.309 -5.734 1.00 0.00 C ATOM 86 CG LYS A 756 9.201 9.023 -7.204 1.00 0.00 C ATOM 87 CD LYS A 756 7.998 8.364 -7.859 1.00 0.00 C ATOM 88 CE LYS A 756 7.038 9.396 -8.430 1.00 0.00 C ATOM 89 NZ LYS A 756 6.027 9.828 -7.425 1.00 0.00 N ATOM 0 H LYS A 756 11.379 10.423 -6.540 1.00 0.00 H new ATOM 0 HA LYS A 756 9.921 10.095 -3.985 1.00 0.00 H new ATOM 0 HB2 LYS A 756 8.504 8.427 -5.272 1.00 0.00 H new ATOM 0 HB3 LYS A 756 8.216 10.113 -5.650 1.00 0.00 H new ATOM 0 HG2 LYS A 756 9.434 9.953 -7.722 1.00 0.00 H new ATOM 0 HG3 LYS A 756 10.072 8.375 -7.305 1.00 0.00 H new ATOM 0 HD2 LYS A 756 8.335 7.699 -8.655 1.00 0.00 H new ATOM 0 HD3 LYS A 756 7.477 7.747 -7.127 1.00 0.00 H new ATOM 0 HE2 LYS A 756 7.600 10.263 -8.776 1.00 0.00 H new ATOM 0 HE3 LYS A 756 6.530 8.978 -9.299 1.00 0.00 H new ATOM 0 HZ1 LYS A 756 5.071 9.654 -7.797 1.00 0.00 H new ATOM 0 HZ2 LYS A 756 6.160 9.289 -6.545 1.00 0.00 H new ATOM 0 HZ3 LYS A 756 6.143 10.843 -7.230 1.00 0.00 H new ATOM 103 N PRO A 757 12.109 8.614 -3.889 1.00 0.00 N ATOM 104 CA PRO A 757 13.037 7.524 -3.574 1.00 0.00 C ATOM 105 C PRO A 757 12.421 6.490 -2.639 1.00 0.00 C ATOM 106 O PRO A 757 12.799 5.318 -2.657 1.00 0.00 O ATOM 107 CB PRO A 757 14.203 8.239 -2.887 1.00 0.00 C ATOM 108 CG PRO A 757 13.601 9.468 -2.299 1.00 0.00 C ATOM 109 CD PRO A 757 12.441 9.854 -3.167 1.00 0.00 C ATOM 0 HA PRO A 757 13.326 6.965 -4.464 1.00 0.00 H new ATOM 0 HB2 PRO A 757 14.654 7.612 -2.118 1.00 0.00 H new ATOM 0 HB3 PRO A 757 14.991 8.486 -3.599 1.00 0.00 H new ATOM 0 HG2 PRO A 757 13.271 9.283 -1.277 1.00 0.00 H new ATOM 0 HG3 PRO A 757 14.334 10.273 -2.257 1.00 0.00 H new ATOM 0 HD2 PRO A 757 11.598 10.208 -2.573 1.00 0.00 H new ATOM 0 HD3 PRO A 757 12.706 10.657 -3.854 1.00 0.00 H new ATOM 117 N TYR A 758 11.470 6.929 -1.822 1.00 0.00 N ATOM 118 CA TYR A 758 10.802 6.041 -0.878 1.00 0.00 C ATOM 119 C TYR A 758 9.618 5.338 -1.535 1.00 0.00 C ATOM 120 O TYR A 758 8.488 5.823 -1.487 1.00 0.00 O ATOM 121 CB TYR A 758 10.328 6.827 0.345 1.00 0.00 C ATOM 122 CG TYR A 758 11.410 7.672 0.979 1.00 0.00 C ATOM 123 CD1 TYR A 758 12.603 7.103 1.404 1.00 0.00 C ATOM 124 CD2 TYR A 758 11.238 9.040 1.154 1.00 0.00 C ATOM 125 CE1 TYR A 758 13.595 7.870 1.985 1.00 0.00 C ATOM 126 CE2 TYR A 758 12.224 9.816 1.732 1.00 0.00 C ATOM 127 CZ TYR A 758 13.400 9.226 2.146 1.00 0.00 C ATOM 128 OH TYR A 758 14.385 9.995 2.723 1.00 0.00 O ATOM 0 H TYR A 758 11.144 7.895 -1.794 1.00 0.00 H new ATOM 0 HA TYR A 758 11.519 5.284 -0.560 1.00 0.00 H new ATOM 0 HB2 TYR A 758 9.499 7.472 0.053 1.00 0.00 H new ATOM 0 HB3 TYR A 758 9.942 6.129 1.088 1.00 0.00 H new ATOM 0 HD1 TYR A 758 12.759 6.042 1.278 1.00 0.00 H new ATOM 0 HD2 TYR A 758 10.317 9.504 0.833 1.00 0.00 H new ATOM 0 HE1 TYR A 758 14.517 7.411 2.311 1.00 0.00 H new ATOM 0 HE2 TYR A 758 12.075 10.878 1.859 1.00 0.00 H new ATOM 0 HH TYR A 758 14.090 10.929 2.762 1.00 0.00 H new ATOM 138 N VAL A 759 9.887 4.190 -2.149 1.00 0.00 N ATOM 139 CA VAL A 759 8.845 3.417 -2.815 1.00 0.00 C ATOM 140 C VAL A 759 8.920 1.945 -2.426 1.00 0.00 C ATOM 141 O VAL A 759 9.821 1.223 -2.856 1.00 0.00 O ATOM 142 CB VAL A 759 8.949 3.539 -4.347 1.00 0.00 C ATOM 143 CG1 VAL A 759 7.798 2.806 -5.020 1.00 0.00 C ATOM 144 CG2 VAL A 759 8.977 5.001 -4.764 1.00 0.00 C ATOM 0 H VAL A 759 10.817 3.775 -2.199 1.00 0.00 H new ATOM 0 HA VAL A 759 7.889 3.827 -2.490 1.00 0.00 H new ATOM 0 HB VAL A 759 9.882 3.075 -4.669 1.00 0.00 H new ATOM 0 HG11 VAL A 759 7.888 2.903 -6.102 1.00 0.00 H new ATOM 0 HG12 VAL A 759 7.829 1.751 -4.746 1.00 0.00 H new ATOM 0 HG13 VAL A 759 6.852 3.238 -4.694 1.00 0.00 H new ATOM 0 HG21 VAL A 759 9.051 5.068 -5.849 1.00 0.00 H new ATOM 0 HG22 VAL A 759 8.062 5.492 -4.431 1.00 0.00 H new ATOM 0 HG23 VAL A 759 9.838 5.492 -4.311 1.00 0.00 H new ATOM 154 N CYS A 760 7.968 1.504 -1.611 1.00 0.00 N ATOM 155 CA CYS A 760 7.924 0.118 -1.164 1.00 0.00 C ATOM 156 C CYS A 760 7.561 -0.815 -2.316 1.00 0.00 C ATOM 157 O CYS A 760 6.524 -0.648 -2.958 1.00 0.00 O ATOM 158 CB CYS A 760 6.913 -0.042 -0.026 1.00 0.00 C ATOM 159 SG CYS A 760 7.102 -1.584 0.925 1.00 0.00 S ATOM 0 H CYS A 760 7.215 2.088 -1.246 1.00 0.00 H new ATOM 0 HA CYS A 760 8.916 -0.151 -0.801 1.00 0.00 H new ATOM 0 HB2 CYS A 760 7.009 0.805 0.653 1.00 0.00 H new ATOM 0 HB3 CYS A 760 5.906 -0.005 -0.441 1.00 0.00 H new ATOM 164 N GLN A 761 8.421 -1.795 -2.571 1.00 0.00 N ATOM 165 CA GLN A 761 8.191 -2.753 -3.646 1.00 0.00 C ATOM 166 C GLN A 761 7.531 -4.020 -3.113 1.00 0.00 C ATOM 167 O GLN A 761 6.834 -4.723 -3.845 1.00 0.00 O ATOM 168 CB GLN A 761 9.510 -3.103 -4.337 1.00 0.00 C ATOM 169 CG GLN A 761 10.284 -1.887 -4.820 1.00 0.00 C ATOM 170 CD GLN A 761 11.482 -2.259 -5.672 1.00 0.00 C ATOM 171 OE1 GLN A 761 12.440 -2.862 -5.187 1.00 0.00 O ATOM 172 NE2 GLN A 761 11.435 -1.900 -6.950 1.00 0.00 N ATOM 0 H GLN A 761 9.283 -1.947 -2.048 1.00 0.00 H new ATOM 0 HA GLN A 761 7.520 -2.293 -4.371 1.00 0.00 H new ATOM 0 HB2 GLN A 761 10.134 -3.670 -3.646 1.00 0.00 H new ATOM 0 HB3 GLN A 761 9.304 -3.754 -5.187 1.00 0.00 H new ATOM 0 HG2 GLN A 761 9.619 -1.243 -5.396 1.00 0.00 H new ATOM 0 HG3 GLN A 761 10.620 -1.309 -3.959 1.00 0.00 H new ATOM 0 HE21 GLN A 761 10.621 -1.401 -7.310 1.00 0.00 H new ATOM 0 HE22 GLN A 761 12.213 -2.123 -7.571 1.00 0.00 H new ATOM 181 N GLU A 762 7.756 -4.307 -1.834 1.00 0.00 N ATOM 182 CA GLU A 762 7.184 -5.491 -1.205 1.00 0.00 C ATOM 183 C GLU A 762 5.676 -5.554 -1.434 1.00 0.00 C ATOM 184 O GLU A 762 5.133 -6.604 -1.778 1.00 0.00 O ATOM 185 CB GLU A 762 7.483 -5.493 0.296 1.00 0.00 C ATOM 186 CG GLU A 762 8.815 -6.133 0.650 1.00 0.00 C ATOM 187 CD GLU A 762 8.796 -7.641 0.499 1.00 0.00 C ATOM 188 OE1 GLU A 762 7.726 -8.190 0.163 1.00 0.00 O ATOM 189 OE2 GLU A 762 9.851 -8.273 0.718 1.00 0.00 O ATOM 0 H GLU A 762 8.330 -3.736 -1.214 1.00 0.00 H new ATOM 0 HA GLU A 762 7.641 -6.370 -1.661 1.00 0.00 H new ATOM 0 HB2 GLU A 762 7.474 -4.466 0.661 1.00 0.00 H new ATOM 0 HB3 GLU A 762 6.685 -6.023 0.816 1.00 0.00 H new ATOM 0 HG2 GLU A 762 9.595 -5.718 0.011 1.00 0.00 H new ATOM 0 HG3 GLU A 762 9.075 -5.878 1.677 1.00 0.00 H new ATOM 196 N CYS A 763 5.007 -4.423 -1.241 1.00 0.00 N ATOM 197 CA CYS A 763 3.562 -4.348 -1.425 1.00 0.00 C ATOM 198 C CYS A 763 3.207 -3.385 -2.554 1.00 0.00 C ATOM 199 O CYS A 763 2.211 -3.570 -3.252 1.00 0.00 O ATOM 200 CB CYS A 763 2.884 -3.902 -0.128 1.00 0.00 C ATOM 201 SG CYS A 763 3.430 -2.272 0.474 1.00 0.00 S ATOM 0 H CYS A 763 5.442 -3.545 -0.957 1.00 0.00 H new ATOM 0 HA CYS A 763 3.203 -5.342 -1.692 1.00 0.00 H new ATOM 0 HB2 CYS A 763 1.806 -3.877 -0.284 1.00 0.00 H new ATOM 0 HB3 CYS A 763 3.077 -4.646 0.645 1.00 0.00 H new ATOM 206 N GLY A 764 4.031 -2.355 -2.728 1.00 0.00 N ATOM 207 CA GLY A 764 3.788 -1.379 -3.773 1.00 0.00 C ATOM 208 C GLY A 764 3.234 -0.075 -3.232 1.00 0.00 C ATOM 209 O GLY A 764 2.499 0.630 -3.922 1.00 0.00 O ATOM 0 H GLY A 764 4.862 -2.180 -2.163 1.00 0.00 H new ATOM 0 HA2 GLY A 764 4.719 -1.182 -4.305 1.00 0.00 H new ATOM 0 HA3 GLY A 764 3.088 -1.794 -4.498 1.00 0.00 H new ATOM 213 N LYS A 765 3.586 0.245 -1.991 1.00 0.00 N ATOM 214 CA LYS A 765 3.120 1.472 -1.356 1.00 0.00 C ATOM 215 C LYS A 765 4.220 2.528 -1.340 1.00 0.00 C ATOM 216 O LYS A 765 5.127 2.481 -0.510 1.00 0.00 O ATOM 217 CB LYS A 765 2.653 1.185 0.073 1.00 0.00 C ATOM 218 CG LYS A 765 1.813 2.298 0.674 1.00 0.00 C ATOM 219 CD LYS A 765 0.812 1.760 1.682 1.00 0.00 C ATOM 220 CE LYS A 765 1.481 1.422 3.006 1.00 0.00 C ATOM 221 NZ LYS A 765 0.544 0.741 3.943 1.00 0.00 N ATOM 0 H LYS A 765 4.193 -0.329 -1.405 1.00 0.00 H new ATOM 0 HA LYS A 765 2.281 1.856 -1.936 1.00 0.00 H new ATOM 0 HB2 LYS A 765 2.074 0.261 0.078 1.00 0.00 H new ATOM 0 HB3 LYS A 765 3.525 1.018 0.705 1.00 0.00 H new ATOM 0 HG2 LYS A 765 2.464 3.025 1.159 1.00 0.00 H new ATOM 0 HG3 LYS A 765 1.284 2.825 -0.120 1.00 0.00 H new ATOM 0 HD2 LYS A 765 0.028 2.499 1.848 1.00 0.00 H new ATOM 0 HD3 LYS A 765 0.331 0.869 1.278 1.00 0.00 H new ATOM 0 HE2 LYS A 765 2.343 0.780 2.824 1.00 0.00 H new ATOM 0 HE3 LYS A 765 1.856 2.336 3.467 1.00 0.00 H new ATOM 0 HZ1 LYS A 765 1.037 0.527 4.833 1.00 0.00 H new ATOM 0 HZ2 LYS A 765 -0.266 1.363 4.137 1.00 0.00 H new ATOM 0 HZ3 LYS A 765 0.206 -0.144 3.514 1.00 0.00 H new ATOM 235 N ALA A 766 4.131 3.481 -2.263 1.00 0.00 N ATOM 236 CA ALA A 766 5.117 4.551 -2.352 1.00 0.00 C ATOM 237 C ALA A 766 4.587 5.840 -1.732 1.00 0.00 C ATOM 238 O ALA A 766 3.425 5.916 -1.333 1.00 0.00 O ATOM 239 CB ALA A 766 5.512 4.785 -3.803 1.00 0.00 C ATOM 0 H ALA A 766 3.387 3.534 -2.959 1.00 0.00 H new ATOM 0 HA ALA A 766 6.000 4.245 -1.791 1.00 0.00 H new ATOM 0 HB1 ALA A 766 6.249 5.587 -3.855 1.00 0.00 H new ATOM 0 HB2 ALA A 766 5.940 3.871 -4.215 1.00 0.00 H new ATOM 0 HB3 ALA A 766 4.630 5.065 -4.380 1.00 0.00 H new ATOM 245 N PHE A 767 5.445 6.851 -1.655 1.00 0.00 N ATOM 246 CA PHE A 767 5.063 8.136 -1.082 1.00 0.00 C ATOM 247 C PHE A 767 5.796 9.281 -1.776 1.00 0.00 C ATOM 248 O PHE A 767 6.584 9.061 -2.697 1.00 0.00 O ATOM 249 CB PHE A 767 5.364 8.159 0.419 1.00 0.00 C ATOM 250 CG PHE A 767 4.854 6.951 1.151 1.00 0.00 C ATOM 251 CD1 PHE A 767 3.529 6.875 1.549 1.00 0.00 C ATOM 252 CD2 PHE A 767 5.699 5.893 1.441 1.00 0.00 C ATOM 253 CE1 PHE A 767 3.056 5.765 2.223 1.00 0.00 C ATOM 254 CE2 PHE A 767 5.232 4.780 2.114 1.00 0.00 C ATOM 255 CZ PHE A 767 3.909 4.716 2.507 1.00 0.00 C ATOM 0 H PHE A 767 6.410 6.805 -1.982 1.00 0.00 H new ATOM 0 HA PHE A 767 3.992 8.269 -1.233 1.00 0.00 H new ATOM 0 HB2 PHE A 767 6.442 8.234 0.564 1.00 0.00 H new ATOM 0 HB3 PHE A 767 4.921 9.053 0.857 1.00 0.00 H new ATOM 0 HD1 PHE A 767 2.858 7.693 1.330 1.00 0.00 H new ATOM 0 HD2 PHE A 767 6.735 5.938 1.138 1.00 0.00 H new ATOM 0 HE1 PHE A 767 2.021 5.718 2.527 1.00 0.00 H new ATOM 0 HE2 PHE A 767 5.901 3.961 2.333 1.00 0.00 H new ATOM 0 HZ PHE A 767 3.543 3.848 3.035 1.00 0.00 H new ATOM 265 N THR A 768 5.529 10.504 -1.329 1.00 0.00 N ATOM 266 CA THR A 768 6.160 11.683 -1.907 1.00 0.00 C ATOM 267 C THR A 768 6.925 12.471 -0.851 1.00 0.00 C ATOM 268 O THR A 768 8.156 12.497 -0.854 1.00 0.00 O ATOM 269 CB THR A 768 5.121 12.609 -2.569 1.00 0.00 C ATOM 270 OG1 THR A 768 4.344 11.872 -3.520 1.00 0.00 O ATOM 271 CG2 THR A 768 5.802 13.779 -3.261 1.00 0.00 C ATOM 0 H THR A 768 4.880 10.703 -0.568 1.00 0.00 H new ATOM 0 HA THR A 768 6.856 11.328 -2.667 1.00 0.00 H new ATOM 0 HB THR A 768 4.466 13.000 -1.790 1.00 0.00 H new ATOM 0 HG1 THR A 768 3.685 12.467 -3.935 1.00 0.00 H new ATOM 0 HG21 THR A 768 5.048 14.418 -3.721 1.00 0.00 H new ATOM 0 HG22 THR A 768 6.369 14.355 -2.529 1.00 0.00 H new ATOM 0 HG23 THR A 768 6.478 13.404 -4.030 1.00 0.00 H new ATOM 279 N GLN A 769 6.190 13.112 0.052 1.00 0.00 N ATOM 280 CA GLN A 769 6.801 13.901 1.115 1.00 0.00 C ATOM 281 C GLN A 769 6.216 13.530 2.473 1.00 0.00 C ATOM 282 O GLN A 769 5.830 14.401 3.253 1.00 0.00 O ATOM 283 CB GLN A 769 6.601 15.394 0.850 1.00 0.00 C ATOM 284 CG GLN A 769 7.429 15.923 -0.310 1.00 0.00 C ATOM 285 CD GLN A 769 8.793 16.421 0.126 1.00 0.00 C ATOM 286 OE1 GLN A 769 8.922 17.521 0.665 1.00 0.00 O ATOM 287 NE2 GLN A 769 9.820 15.613 -0.105 1.00 0.00 N ATOM 0 H GLN A 769 5.170 13.100 0.069 1.00 0.00 H new ATOM 0 HA GLN A 769 7.869 13.682 1.128 1.00 0.00 H new ATOM 0 HB2 GLN A 769 5.546 15.580 0.647 1.00 0.00 H new ATOM 0 HB3 GLN A 769 6.856 15.952 1.751 1.00 0.00 H new ATOM 0 HG2 GLN A 769 7.554 15.134 -1.051 1.00 0.00 H new ATOM 0 HG3 GLN A 769 6.889 16.735 -0.797 1.00 0.00 H new ATOM 0 HE21 GLN A 769 9.668 14.710 -0.554 1.00 0.00 H new ATOM 0 HE22 GLN A 769 10.762 15.895 0.167 1.00 0.00 H new ATOM 296 N SER A 770 6.152 12.232 2.750 1.00 0.00 N ATOM 297 CA SER A 770 5.610 11.745 4.014 1.00 0.00 C ATOM 298 C SER A 770 6.658 10.947 4.783 1.00 0.00 C ATOM 299 O SER A 770 6.683 10.959 6.014 1.00 0.00 O ATOM 300 CB SER A 770 4.375 10.878 3.762 1.00 0.00 C ATOM 301 OG SER A 770 3.204 11.670 3.678 1.00 0.00 O ATOM 0 H SER A 770 6.469 11.498 2.116 1.00 0.00 H new ATOM 0 HA SER A 770 5.323 12.608 4.615 1.00 0.00 H new ATOM 0 HB2 SER A 770 4.504 10.316 2.837 1.00 0.00 H new ATOM 0 HB3 SER A 770 4.268 10.150 4.566 1.00 0.00 H new ATOM 0 HG SER A 770 2.429 11.092 3.515 1.00 0.00 H new ATOM 307 N SER A 771 7.523 10.255 4.049 1.00 0.00 N ATOM 308 CA SER A 771 8.572 9.448 4.661 1.00 0.00 C ATOM 309 C SER A 771 7.972 8.352 5.538 1.00 0.00 C ATOM 310 O SER A 771 8.560 7.957 6.545 1.00 0.00 O ATOM 311 CB SER A 771 9.503 10.330 5.494 1.00 0.00 C ATOM 312 OG SER A 771 10.774 9.723 5.654 1.00 0.00 O ATOM 0 H SER A 771 7.518 10.237 3.029 1.00 0.00 H new ATOM 0 HA SER A 771 9.147 8.978 3.863 1.00 0.00 H new ATOM 0 HB2 SER A 771 9.618 11.300 5.011 1.00 0.00 H new ATOM 0 HB3 SER A 771 9.058 10.512 6.472 1.00 0.00 H new ATOM 0 HG SER A 771 10.665 8.840 6.064 1.00 0.00 H new ATOM 318 N CYS A 772 6.799 7.867 5.147 1.00 0.00 N ATOM 319 CA CYS A 772 6.118 6.817 5.896 1.00 0.00 C ATOM 320 C CYS A 772 6.794 5.467 5.679 1.00 0.00 C ATOM 321 O CYS A 772 6.721 4.580 6.530 1.00 0.00 O ATOM 322 CB CYS A 772 4.648 6.738 5.482 1.00 0.00 C ATOM 323 SG CYS A 772 3.569 5.992 6.727 1.00 0.00 S ATOM 0 H CYS A 772 6.300 8.184 4.316 1.00 0.00 H new ATOM 0 HA CYS A 772 6.177 7.065 6.956 1.00 0.00 H new ATOM 0 HB2 CYS A 772 4.289 7.743 5.261 1.00 0.00 H new ATOM 0 HB3 CYS A 772 4.572 6.163 4.559 1.00 0.00 H new ATOM 0 HG CYS A 772 2.346 5.972 6.286 1.00 0.00 H new ATOM 329 N LEU A 773 7.450 5.318 4.533 1.00 0.00 N ATOM 330 CA LEU A 773 8.138 4.075 4.202 1.00 0.00 C ATOM 331 C LEU A 773 9.075 3.655 5.329 1.00 0.00 C ATOM 332 O LEU A 773 9.286 2.465 5.564 1.00 0.00 O ATOM 333 CB LEU A 773 8.926 4.237 2.901 1.00 0.00 C ATOM 334 CG LEU A 773 9.825 3.063 2.511 1.00 0.00 C ATOM 335 CD1 LEU A 773 8.986 1.872 2.073 1.00 0.00 C ATOM 336 CD2 LEU A 773 10.789 3.473 1.407 1.00 0.00 C ATOM 0 H LEU A 773 7.520 6.042 3.818 1.00 0.00 H new ATOM 0 HA LEU A 773 7.387 3.296 4.070 1.00 0.00 H new ATOM 0 HB2 LEU A 773 8.219 4.412 2.090 1.00 0.00 H new ATOM 0 HB3 LEU A 773 9.544 5.131 2.983 1.00 0.00 H new ATOM 0 HG LEU A 773 10.408 2.770 3.384 1.00 0.00 H new ATOM 0 HD11 LEU A 773 9.642 1.046 1.799 1.00 0.00 H new ATOM 0 HD12 LEU A 773 8.337 1.563 2.892 1.00 0.00 H new ATOM 0 HD13 LEU A 773 8.377 2.152 1.213 1.00 0.00 H new ATOM 0 HD21 LEU A 773 11.421 2.625 1.142 1.00 0.00 H new ATOM 0 HD22 LEU A 773 10.224 3.792 0.531 1.00 0.00 H new ATOM 0 HD23 LEU A 773 11.413 4.296 1.756 1.00 0.00 H new ATOM 348 N SER A 774 9.634 4.639 6.026 1.00 0.00 N ATOM 349 CA SER A 774 10.550 4.372 7.128 1.00 0.00 C ATOM 350 C SER A 774 9.918 3.422 8.142 1.00 0.00 C ATOM 351 O SER A 774 10.350 2.279 8.291 1.00 0.00 O ATOM 352 CB SER A 774 10.949 5.678 7.816 1.00 0.00 C ATOM 353 OG SER A 774 11.551 5.429 9.075 1.00 0.00 O ATOM 0 H SER A 774 9.468 5.629 5.847 1.00 0.00 H new ATOM 0 HA SER A 774 11.442 3.898 6.719 1.00 0.00 H new ATOM 0 HB2 SER A 774 11.642 6.230 7.181 1.00 0.00 H new ATOM 0 HB3 SER A 774 10.068 6.306 7.949 1.00 0.00 H new ATOM 0 HG SER A 774 11.798 6.280 9.493 1.00 0.00 H new ATOM 359 N ILE A 775 8.893 3.906 8.836 1.00 0.00 N ATOM 360 CA ILE A 775 8.200 3.101 9.834 1.00 0.00 C ATOM 361 C ILE A 775 7.482 1.921 9.188 1.00 0.00 C ATOM 362 O ILE A 775 7.320 0.866 9.802 1.00 0.00 O ATOM 363 CB ILE A 775 7.178 3.940 10.623 1.00 0.00 C ATOM 364 CG1 ILE A 775 7.870 5.129 11.292 1.00 0.00 C ATOM 365 CG2 ILE A 775 6.472 3.079 11.660 1.00 0.00 C ATOM 366 CD1 ILE A 775 6.909 6.191 11.781 1.00 0.00 C ATOM 0 H ILE A 775 8.525 4.851 8.725 1.00 0.00 H new ATOM 0 HA ILE A 775 8.960 2.728 10.521 1.00 0.00 H new ATOM 0 HB ILE A 775 6.431 4.322 9.928 1.00 0.00 H new ATOM 0 HG12 ILE A 775 8.460 4.769 12.135 1.00 0.00 H new ATOM 0 HG13 ILE A 775 8.567 5.579 10.584 1.00 0.00 H new ATOM 0 HG21 ILE A 775 5.753 3.687 12.209 1.00 0.00 H new ATOM 0 HG22 ILE A 775 5.950 2.262 11.161 1.00 0.00 H new ATOM 0 HG23 ILE A 775 7.206 2.670 12.354 1.00 0.00 H new ATOM 0 HD11 ILE A 775 7.469 7.003 12.244 1.00 0.00 H new ATOM 0 HD12 ILE A 775 6.336 6.579 10.939 1.00 0.00 H new ATOM 0 HD13 ILE A 775 6.228 5.756 12.513 1.00 0.00 H new ATOM 378 N HIS A 776 7.053 2.107 7.943 1.00 0.00 N ATOM 379 CA HIS A 776 6.353 1.057 7.211 1.00 0.00 C ATOM 380 C HIS A 776 7.153 -0.243 7.228 1.00 0.00 C ATOM 381 O HIS A 776 6.638 -1.295 7.606 1.00 0.00 O ATOM 382 CB HIS A 776 6.099 1.494 5.768 1.00 0.00 C ATOM 383 CG HIS A 776 5.467 0.431 4.923 1.00 0.00 C ATOM 384 ND1 HIS A 776 4.304 -0.219 5.276 1.00 0.00 N ATOM 385 CD2 HIS A 776 5.843 -0.092 3.732 1.00 0.00 C ATOM 386 CE1 HIS A 776 3.992 -1.098 4.341 1.00 0.00 C ATOM 387 NE2 HIS A 776 4.909 -1.041 3.393 1.00 0.00 N ATOM 0 H HIS A 776 7.178 2.974 7.421 1.00 0.00 H new ATOM 0 HA HIS A 776 5.396 0.881 7.703 1.00 0.00 H new ATOM 0 HB2 HIS A 776 5.456 2.374 5.771 1.00 0.00 H new ATOM 0 HB3 HIS A 776 7.045 1.792 5.315 1.00 0.00 H new ATOM 0 HD1 HIS A 776 3.768 -0.048 6.127 1.00 0.00 H new ATOM 0 HD2 HIS A 776 6.714 0.185 3.156 1.00 0.00 H new ATOM 0 HE1 HIS A 776 3.133 -1.752 4.350 1.00 0.00 H new ATOM 395 N ARG A 777 8.414 -0.161 6.815 1.00 0.00 N ATOM 396 CA ARG A 777 9.284 -1.331 6.781 1.00 0.00 C ATOM 397 C ARG A 777 9.378 -1.978 8.159 1.00 0.00 C ATOM 398 O ARG A 777 9.632 -3.177 8.277 1.00 0.00 O ATOM 399 CB ARG A 777 10.680 -0.940 6.293 1.00 0.00 C ATOM 400 CG ARG A 777 10.713 -0.485 4.843 1.00 0.00 C ATOM 401 CD ARG A 777 12.117 -0.571 4.264 1.00 0.00 C ATOM 402 NE ARG A 777 13.073 0.224 5.029 1.00 0.00 N ATOM 403 CZ ARG A 777 14.390 0.136 4.876 1.00 0.00 C ATOM 404 NH1 ARG A 777 14.903 -0.708 3.992 1.00 0.00 N ATOM 405 NH2 ARG A 777 15.196 0.893 5.610 1.00 0.00 N ATOM 0 H ARG A 777 8.856 0.703 6.500 1.00 0.00 H new ATOM 0 HA ARG A 777 8.853 -2.054 6.088 1.00 0.00 H new ATOM 0 HB2 ARG A 777 11.066 -0.140 6.925 1.00 0.00 H new ATOM 0 HB3 ARG A 777 11.349 -1.792 6.413 1.00 0.00 H new ATOM 0 HG2 ARG A 777 10.036 -1.101 4.252 1.00 0.00 H new ATOM 0 HG3 ARG A 777 10.352 0.541 4.774 1.00 0.00 H new ATOM 0 HD2 ARG A 777 12.440 -1.612 4.250 1.00 0.00 H new ATOM 0 HD3 ARG A 777 12.105 -0.227 3.230 1.00 0.00 H new ATOM 0 HE ARG A 777 12.710 0.883 5.718 1.00 0.00 H new ATOM 0 HH11 ARG A 777 14.286 -1.292 3.427 1.00 0.00 H new ATOM 0 HH12 ARG A 777 15.914 -0.773 3.877 1.00 0.00 H new ATOM 0 HH21 ARG A 777 14.805 1.543 6.292 1.00 0.00 H new ATOM 0 HH22 ARG A 777 16.207 0.825 5.492 1.00 0.00 H new ATOM 419 N ARG A 778 9.171 -1.177 9.199 1.00 0.00 N ATOM 420 CA ARG A 778 9.235 -1.672 10.569 1.00 0.00 C ATOM 421 C ARG A 778 8.007 -2.516 10.900 1.00 0.00 C ATOM 422 O ARG A 778 8.081 -3.453 11.695 1.00 0.00 O ATOM 423 CB ARG A 778 9.344 -0.504 11.551 1.00 0.00 C ATOM 424 CG ARG A 778 10.354 0.552 11.132 1.00 0.00 C ATOM 425 CD ARG A 778 11.734 -0.050 10.921 1.00 0.00 C ATOM 426 NE ARG A 778 12.214 -0.749 12.111 1.00 0.00 N ATOM 427 CZ ARG A 778 13.390 -1.363 12.178 1.00 0.00 C ATOM 428 NH1 ARG A 778 14.202 -1.365 11.129 1.00 0.00 N ATOM 429 NH2 ARG A 778 13.756 -1.977 13.296 1.00 0.00 N ATOM 0 H ARG A 778 8.958 -0.183 9.119 1.00 0.00 H new ATOM 0 HA ARG A 778 10.122 -2.299 10.661 1.00 0.00 H new ATOM 0 HB2 ARG A 778 8.365 -0.037 11.657 1.00 0.00 H new ATOM 0 HB3 ARG A 778 9.620 -0.890 12.532 1.00 0.00 H new ATOM 0 HG2 ARG A 778 10.020 1.031 10.212 1.00 0.00 H new ATOM 0 HG3 ARG A 778 10.407 1.329 11.895 1.00 0.00 H new ATOM 0 HD2 ARG A 778 11.702 -0.744 10.081 1.00 0.00 H new ATOM 0 HD3 ARG A 778 12.437 0.739 10.656 1.00 0.00 H new ATOM 0 HE ARG A 778 11.613 -0.766 12.935 1.00 0.00 H new ATOM 0 HH11 ARG A 778 13.924 -0.894 10.268 1.00 0.00 H new ATOM 0 HH12 ARG A 778 15.104 -1.837 11.183 1.00 0.00 H new ATOM 0 HH21 ARG A 778 13.134 -1.978 14.105 1.00 0.00 H new ATOM 0 HH22 ARG A 778 14.659 -2.448 13.347 1.00 0.00 H new ATOM 443 N VAL A 779 6.879 -2.176 10.285 1.00 0.00 N ATOM 444 CA VAL A 779 5.635 -2.902 10.513 1.00 0.00 C ATOM 445 C VAL A 779 5.172 -3.611 9.246 1.00 0.00 C ATOM 446 O VAL A 779 3.974 -3.786 9.021 1.00 0.00 O ATOM 447 CB VAL A 779 4.517 -1.961 10.999 1.00 0.00 C ATOM 448 CG1 VAL A 779 4.944 -1.232 12.264 1.00 0.00 C ATOM 449 CG2 VAL A 779 4.141 -0.972 9.906 1.00 0.00 C ATOM 0 H VAL A 779 6.801 -1.402 9.625 1.00 0.00 H new ATOM 0 HA VAL A 779 5.838 -3.643 11.286 1.00 0.00 H new ATOM 0 HB VAL A 779 3.638 -2.561 11.233 1.00 0.00 H new ATOM 0 HG11 VAL A 779 4.141 -0.572 12.592 1.00 0.00 H new ATOM 0 HG12 VAL A 779 5.159 -1.959 13.047 1.00 0.00 H new ATOM 0 HG13 VAL A 779 5.838 -0.642 12.060 1.00 0.00 H new ATOM 0 HG21 VAL A 779 3.350 -0.315 10.266 1.00 0.00 H new ATOM 0 HG22 VAL A 779 5.014 -0.376 9.638 1.00 0.00 H new ATOM 0 HG23 VAL A 779 3.790 -1.515 9.029 1.00 0.00 H new ATOM 459 N HIS A 780 6.130 -4.019 8.419 1.00 0.00 N ATOM 460 CA HIS A 780 5.821 -4.711 7.173 1.00 0.00 C ATOM 461 C HIS A 780 5.928 -6.223 7.350 1.00 0.00 C ATOM 462 O HIS A 780 4.978 -6.959 7.080 1.00 0.00 O ATOM 463 CB HIS A 780 6.763 -4.249 6.060 1.00 0.00 C ATOM 464 CG HIS A 780 6.147 -4.298 4.696 1.00 0.00 C ATOM 465 ND1 HIS A 780 5.015 -5.030 4.407 1.00 0.00 N ATOM 466 CD2 HIS A 780 6.512 -3.699 3.538 1.00 0.00 C ATOM 467 CE1 HIS A 780 4.711 -4.880 3.130 1.00 0.00 C ATOM 468 NE2 HIS A 780 5.604 -4.076 2.580 1.00 0.00 N ATOM 0 H HIS A 780 7.126 -3.882 8.590 1.00 0.00 H new ATOM 0 HA HIS A 780 4.796 -4.466 6.896 1.00 0.00 H new ATOM 0 HB2 HIS A 780 7.085 -3.229 6.268 1.00 0.00 H new ATOM 0 HB3 HIS A 780 7.656 -4.873 6.069 1.00 0.00 H new ATOM 0 HD2 HIS A 780 7.360 -3.046 3.395 1.00 0.00 H new ATOM 0 HE1 HIS A 780 3.875 -5.337 2.622 1.00 0.00 H new ATOM 0 HE2 HIS A 780 5.617 -3.783 1.603 1.00 0.00 H new ATOM 476 N THR A 781 7.090 -6.680 7.805 1.00 0.00 N ATOM 477 CA THR A 781 7.322 -8.103 8.016 1.00 0.00 C ATOM 478 C THR A 781 6.261 -8.703 8.932 1.00 0.00 C ATOM 479 O THR A 781 5.917 -9.878 8.813 1.00 0.00 O ATOM 480 CB THR A 781 8.713 -8.362 8.624 1.00 0.00 C ATOM 481 OG1 THR A 781 8.893 -9.763 8.859 1.00 0.00 O ATOM 482 CG2 THR A 781 8.885 -7.597 9.928 1.00 0.00 C ATOM 0 H THR A 781 7.886 -6.085 8.035 1.00 0.00 H new ATOM 0 HA THR A 781 7.267 -8.580 7.038 1.00 0.00 H new ATOM 0 HB THR A 781 9.465 -8.014 7.915 1.00 0.00 H new ATOM 0 HG1 THR A 781 9.781 -9.919 9.244 1.00 0.00 H new ATOM 0 HG21 THR A 781 9.875 -7.796 10.339 1.00 0.00 H new ATOM 0 HG22 THR A 781 8.778 -6.529 9.740 1.00 0.00 H new ATOM 0 HG23 THR A 781 8.125 -7.918 10.641 1.00 0.00 H new ATOM 490 N GLY A 782 5.745 -7.887 9.846 1.00 0.00 N ATOM 491 CA GLY A 782 4.727 -8.356 10.769 1.00 0.00 C ATOM 492 C GLY A 782 5.254 -8.515 12.181 1.00 0.00 C ATOM 493 O GLY A 782 5.340 -7.544 12.931 1.00 0.00 O ATOM 0 H GLY A 782 6.013 -6.910 9.964 1.00 0.00 H new ATOM 0 HA2 GLY A 782 3.893 -7.654 10.773 1.00 0.00 H new ATOM 0 HA3 GLY A 782 4.337 -9.312 10.420 1.00 0.00 H new ATOM 497 N GLU A 783 5.605 -9.745 12.545 1.00 0.00 N ATOM 498 CA GLU A 783 6.124 -10.027 13.878 1.00 0.00 C ATOM 499 C GLU A 783 7.571 -9.561 14.009 1.00 0.00 C ATOM 500 O GLU A 783 8.237 -9.282 13.012 1.00 0.00 O ATOM 501 CB GLU A 783 6.030 -11.525 14.179 1.00 0.00 C ATOM 502 CG GLU A 783 4.622 -12.083 14.059 1.00 0.00 C ATOM 503 CD GLU A 783 4.605 -13.583 13.839 1.00 0.00 C ATOM 504 OE1 GLU A 783 5.685 -14.206 13.921 1.00 0.00 O ATOM 505 OE2 GLU A 783 3.514 -14.134 13.586 1.00 0.00 O ATOM 0 H GLU A 783 5.539 -10.561 11.936 1.00 0.00 H new ATOM 0 HA GLU A 783 5.518 -9.479 14.599 1.00 0.00 H new ATOM 0 HB2 GLU A 783 6.685 -12.066 13.496 1.00 0.00 H new ATOM 0 HB3 GLU A 783 6.400 -11.708 15.188 1.00 0.00 H new ATOM 0 HG2 GLU A 783 4.063 -11.846 14.964 1.00 0.00 H new ATOM 0 HG3 GLU A 783 4.110 -11.592 13.231 1.00 0.00 H new ATOM 512 N SER A 784 8.050 -9.478 15.246 1.00 0.00 N ATOM 513 CA SER A 784 9.416 -9.041 15.509 1.00 0.00 C ATOM 514 C SER A 784 10.205 -10.129 16.232 1.00 0.00 C ATOM 515 O SER A 784 10.082 -10.299 17.444 1.00 0.00 O ATOM 516 CB SER A 784 9.412 -7.759 16.344 1.00 0.00 C ATOM 517 OG SER A 784 8.608 -6.760 15.740 1.00 0.00 O ATOM 0 H SER A 784 7.512 -9.708 16.082 1.00 0.00 H new ATOM 0 HA SER A 784 9.898 -8.842 14.552 1.00 0.00 H new ATOM 0 HB2 SER A 784 9.039 -7.974 17.345 1.00 0.00 H new ATOM 0 HB3 SER A 784 10.432 -7.391 16.456 1.00 0.00 H new ATOM 0 HG SER A 784 8.620 -5.951 16.293 1.00 0.00 H new ATOM 523 N GLY A 785 11.015 -10.865 15.477 1.00 0.00 N ATOM 524 CA GLY A 785 11.813 -11.927 16.061 1.00 0.00 C ATOM 525 C GLY A 785 13.081 -12.198 15.277 1.00 0.00 C ATOM 526 O GLY A 785 13.221 -13.228 14.617 1.00 0.00 O ATOM 0 H GLY A 785 11.133 -10.745 14.471 1.00 0.00 H new ATOM 0 HA2 GLY A 785 12.073 -11.660 17.085 1.00 0.00 H new ATOM 0 HA3 GLY A 785 11.218 -12.839 16.110 1.00 0.00 H new ATOM 530 N PRO A 786 14.035 -11.257 15.343 1.00 0.00 N ATOM 531 CA PRO A 786 15.315 -11.376 14.639 1.00 0.00 C ATOM 532 C PRO A 786 15.975 -12.733 14.862 1.00 0.00 C ATOM 533 O PRO A 786 15.783 -13.364 15.901 1.00 0.00 O ATOM 534 CB PRO A 786 16.164 -10.261 15.255 1.00 0.00 C ATOM 535 CG PRO A 786 15.176 -9.255 15.735 1.00 0.00 C ATOM 536 CD PRO A 786 13.936 -10.004 16.111 1.00 0.00 C ATOM 0 HA PRO A 786 15.195 -11.292 13.559 1.00 0.00 H new ATOM 0 HB2 PRO A 786 16.777 -10.637 16.075 1.00 0.00 H new ATOM 0 HB3 PRO A 786 16.844 -9.829 14.521 1.00 0.00 H new ATOM 0 HG2 PRO A 786 15.569 -8.706 16.591 1.00 0.00 H new ATOM 0 HG3 PRO A 786 14.963 -8.522 14.957 1.00 0.00 H new ATOM 0 HD2 PRO A 786 13.894 -10.195 17.183 1.00 0.00 H new ATOM 0 HD3 PRO A 786 13.037 -9.445 15.851 1.00 0.00 H new ATOM 544 N SER A 787 16.754 -13.175 13.880 1.00 0.00 N ATOM 545 CA SER A 787 17.439 -14.459 13.967 1.00 0.00 C ATOM 546 C SER A 787 18.243 -14.558 15.260 1.00 0.00 C ATOM 547 O SER A 787 18.471 -13.558 15.941 1.00 0.00 O ATOM 548 CB SER A 787 18.363 -14.651 12.763 1.00 0.00 C ATOM 549 OG SER A 787 17.644 -14.548 11.547 1.00 0.00 O ATOM 0 H SER A 787 16.926 -12.663 13.015 1.00 0.00 H new ATOM 0 HA SER A 787 16.685 -15.246 13.966 1.00 0.00 H new ATOM 0 HB2 SER A 787 19.155 -13.902 12.785 1.00 0.00 H new ATOM 0 HB3 SER A 787 18.845 -15.627 12.823 1.00 0.00 H new ATOM 0 HG SER A 787 18.257 -14.673 10.793 1.00 0.00 H new ATOM 555 N SER A 788 18.671 -15.772 15.592 1.00 0.00 N ATOM 556 CA SER A 788 19.446 -16.005 16.805 1.00 0.00 C ATOM 557 C SER A 788 20.669 -15.093 16.851 1.00 0.00 C ATOM 558 O SER A 788 20.754 -14.192 17.685 1.00 0.00 O ATOM 559 CB SER A 788 19.884 -17.468 16.883 1.00 0.00 C ATOM 560 OG SER A 788 18.909 -18.258 17.541 1.00 0.00 O ATOM 0 H SER A 788 18.494 -16.610 15.038 1.00 0.00 H new ATOM 0 HA SER A 788 18.811 -15.777 17.662 1.00 0.00 H new ATOM 0 HB2 SER A 788 20.052 -17.855 15.878 1.00 0.00 H new ATOM 0 HB3 SER A 788 20.833 -17.539 17.414 1.00 0.00 H new ATOM 0 HG SER A 788 19.212 -19.189 17.576 1.00 0.00 H new ATOM 566 N GLY A 789 21.614 -15.335 15.948 1.00 0.00 N ATOM 567 CA GLY A 789 22.820 -14.528 15.902 1.00 0.00 C ATOM 568 C GLY A 789 23.557 -14.662 14.585 1.00 0.00 C ATOM 569 O GLY A 789 22.951 -15.078 13.599 1.00 0.00 O ATOM 0 H GLY A 789 21.566 -16.075 15.248 1.00 0.00 H new ATOM 0 HA2 GLY A 789 22.560 -13.482 16.064 1.00 0.00 H new ATOM 0 HA3 GLY A 789 23.482 -14.822 16.717 1.00 0.00 H new TER 573 GLY A 789 HETATM 574 ZN ZN A 201 5.187 -2.176 1.857 1.00 0.00 ZN