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 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=-0.3) USER MOD Single : A 765 LYS NZ :NH3+ 164:sc= 0.884 (180deg=0.678) USER MOD Single : A 768 THR OG1 : rot 180:sc= 0 USER MOD Single : A 769 GLN : amide:sc= 0 K(o=0,f=-0.74) USER MOD Single : A 770 SER OG : rot 180:sc= 0 USER MOD Single : A 771 SER OG : rot -106:sc= 0.793 USER MOD Single : A 772 CYS SG : rot -25:sc= 0.0021 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 60:sc= 0.0706 USER MOD Single : A 788 SER OG : rot -57:sc= 0.445 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 748 16.140 -7.321 -12.299 1.00 0.00 N ATOM 2 CA GLY A 748 17.481 -7.437 -11.755 1.00 0.00 C ATOM 3 C GLY A 748 18.455 -6.474 -12.405 1.00 0.00 C ATOM 4 O GLY A 748 18.267 -5.259 -12.351 1.00 0.00 O ATOM 0 HA2 GLY A 748 17.452 -7.250 -10.682 1.00 0.00 H new ATOM 0 HA3 GLY A 748 17.838 -8.458 -11.891 1.00 0.00 H new ATOM 8 N SER A 749 19.501 -7.018 -13.019 1.00 0.00 N ATOM 9 CA SER A 749 20.512 -6.199 -13.678 1.00 0.00 C ATOM 10 C SER A 749 20.338 -6.235 -15.193 1.00 0.00 C ATOM 11 O SER A 749 21.162 -6.803 -15.910 1.00 0.00 O ATOM 12 CB SER A 749 21.914 -6.682 -13.302 1.00 0.00 C ATOM 13 OG SER A 749 22.903 -5.769 -13.745 1.00 0.00 O ATOM 0 H SER A 749 19.671 -8.022 -13.074 1.00 0.00 H new ATOM 0 HA SER A 749 20.387 -5.170 -13.340 1.00 0.00 H new ATOM 0 HB2 SER A 749 21.983 -6.802 -12.221 1.00 0.00 H new ATOM 0 HB3 SER A 749 22.095 -7.662 -13.743 1.00 0.00 H new ATOM 0 HG SER A 749 23.790 -6.099 -13.491 1.00 0.00 H new ATOM 19 N SER A 750 19.260 -5.624 -15.673 1.00 0.00 N ATOM 20 CA SER A 750 18.975 -5.589 -17.103 1.00 0.00 C ATOM 21 C SER A 750 18.608 -4.176 -17.549 1.00 0.00 C ATOM 22 O SER A 750 19.060 -3.706 -18.593 1.00 0.00 O ATOM 23 CB SER A 750 17.837 -6.554 -17.442 1.00 0.00 C ATOM 24 OG SER A 750 17.851 -6.896 -18.817 1.00 0.00 O ATOM 0 H SER A 750 18.570 -5.147 -15.093 1.00 0.00 H new ATOM 0 HA SER A 750 19.875 -5.898 -17.635 1.00 0.00 H new ATOM 0 HB2 SER A 750 17.930 -7.457 -16.839 1.00 0.00 H new ATOM 0 HB3 SER A 750 16.881 -6.097 -17.187 1.00 0.00 H new ATOM 0 HG SER A 750 17.115 -7.515 -19.008 1.00 0.00 H new ATOM 30 N GLY A 751 17.786 -3.504 -16.750 1.00 0.00 N ATOM 31 CA GLY A 751 17.371 -2.153 -17.078 1.00 0.00 C ATOM 32 C GLY A 751 16.912 -1.375 -15.861 1.00 0.00 C ATOM 33 O GLY A 751 15.809 -0.829 -15.844 1.00 0.00 O ATOM 0 H GLY A 751 17.400 -3.871 -15.880 1.00 0.00 H new ATOM 0 HA2 GLY A 751 18.200 -1.626 -17.550 1.00 0.00 H new ATOM 0 HA3 GLY A 751 16.561 -2.192 -17.807 1.00 0.00 H new ATOM 37 N SER A 752 17.759 -1.326 -14.837 1.00 0.00 N ATOM 38 CA SER A 752 17.431 -0.615 -13.607 1.00 0.00 C ATOM 39 C SER A 752 17.510 0.894 -13.816 1.00 0.00 C ATOM 40 O SER A 752 18.590 1.483 -13.775 1.00 0.00 O ATOM 41 CB SER A 752 18.379 -1.036 -12.482 1.00 0.00 C ATOM 42 OG SER A 752 18.384 -2.443 -12.320 1.00 0.00 O ATOM 0 H SER A 752 18.677 -1.770 -14.835 1.00 0.00 H new ATOM 0 HA SER A 752 16.410 -0.873 -13.327 1.00 0.00 H new ATOM 0 HB2 SER A 752 19.388 -0.689 -12.703 1.00 0.00 H new ATOM 0 HB3 SER A 752 18.076 -0.560 -11.549 1.00 0.00 H new ATOM 0 HG SER A 752 18.999 -2.687 -11.597 1.00 0.00 H new ATOM 48 N SER A 753 16.356 1.515 -14.039 1.00 0.00 N ATOM 49 CA SER A 753 16.293 2.956 -14.258 1.00 0.00 C ATOM 50 C SER A 753 15.034 3.546 -13.629 1.00 0.00 C ATOM 51 O SER A 753 13.969 2.931 -13.651 1.00 0.00 O ATOM 52 CB SER A 753 16.322 3.267 -15.756 1.00 0.00 C ATOM 53 OG SER A 753 15.417 2.441 -16.466 1.00 0.00 O ATOM 0 H SER A 753 15.452 1.043 -14.073 1.00 0.00 H new ATOM 0 HA SER A 753 17.163 3.410 -13.783 1.00 0.00 H new ATOM 0 HB2 SER A 753 16.067 4.314 -15.918 1.00 0.00 H new ATOM 0 HB3 SER A 753 17.331 3.121 -16.141 1.00 0.00 H new ATOM 0 HG SER A 753 15.454 2.661 -17.420 1.00 0.00 H new ATOM 59 N GLY A 754 15.166 4.744 -13.069 1.00 0.00 N ATOM 60 CA GLY A 754 14.033 5.399 -12.441 1.00 0.00 C ATOM 61 C GLY A 754 14.433 6.214 -11.227 1.00 0.00 C ATOM 62 O GLY A 754 15.555 6.713 -11.150 1.00 0.00 O ATOM 0 H GLY A 754 16.037 5.273 -13.039 1.00 0.00 H new ATOM 0 HA2 GLY A 754 13.546 6.050 -13.167 1.00 0.00 H new ATOM 0 HA3 GLY A 754 13.301 4.647 -12.145 1.00 0.00 H new ATOM 66 N GLU A 755 13.513 6.349 -10.278 1.00 0.00 N ATOM 67 CA GLU A 755 13.776 7.112 -9.063 1.00 0.00 C ATOM 68 C GLU A 755 12.669 6.897 -8.035 1.00 0.00 C ATOM 69 O GLU A 755 11.549 7.381 -8.201 1.00 0.00 O ATOM 70 CB GLU A 755 13.903 8.602 -9.388 1.00 0.00 C ATOM 71 CG GLU A 755 14.389 9.440 -8.217 1.00 0.00 C ATOM 72 CD GLU A 755 15.792 9.070 -7.777 1.00 0.00 C ATOM 73 OE1 GLU A 755 16.681 8.972 -8.649 1.00 0.00 O ATOM 74 OE2 GLU A 755 16.001 8.878 -6.561 1.00 0.00 O ATOM 0 H GLU A 755 12.580 5.941 -10.326 1.00 0.00 H new ATOM 0 HA GLU A 755 14.716 6.758 -8.639 1.00 0.00 H new ATOM 0 HB2 GLU A 755 14.592 8.726 -10.223 1.00 0.00 H new ATOM 0 HB3 GLU A 755 12.934 8.978 -9.716 1.00 0.00 H new ATOM 0 HG2 GLU A 755 14.365 10.494 -8.495 1.00 0.00 H new ATOM 0 HG3 GLU A 755 13.705 9.316 -7.378 1.00 0.00 H new ATOM 81 N LYS A 756 12.990 6.166 -6.973 1.00 0.00 N ATOM 82 CA LYS A 756 12.025 5.886 -5.916 1.00 0.00 C ATOM 83 C LYS A 756 12.727 5.692 -4.576 1.00 0.00 C ATOM 84 O LYS A 756 12.814 4.582 -4.049 1.00 0.00 O ATOM 85 CB LYS A 756 11.208 4.639 -6.261 1.00 0.00 C ATOM 86 CG LYS A 756 12.049 3.482 -6.770 1.00 0.00 C ATOM 87 CD LYS A 756 11.184 2.303 -7.183 1.00 0.00 C ATOM 88 CE LYS A 756 10.494 2.557 -8.514 1.00 0.00 C ATOM 89 NZ LYS A 756 10.160 1.288 -9.218 1.00 0.00 N ATOM 0 H LYS A 756 13.912 5.756 -6.821 1.00 0.00 H new ATOM 0 HA LYS A 756 11.354 6.741 -5.834 1.00 0.00 H new ATOM 0 HB2 LYS A 756 10.661 4.317 -5.375 1.00 0.00 H new ATOM 0 HB3 LYS A 756 10.467 4.898 -7.017 1.00 0.00 H new ATOM 0 HG2 LYS A 756 12.646 3.812 -7.620 1.00 0.00 H new ATOM 0 HG3 LYS A 756 12.746 3.168 -5.993 1.00 0.00 H new ATOM 0 HD2 LYS A 756 11.800 1.407 -7.257 1.00 0.00 H new ATOM 0 HD3 LYS A 756 10.435 2.113 -6.414 1.00 0.00 H new ATOM 0 HE2 LYS A 756 9.582 3.130 -8.346 1.00 0.00 H new ATOM 0 HE3 LYS A 756 11.140 3.164 -9.148 1.00 0.00 H new ATOM 0 HZ1 LYS A 756 9.691 1.505 -10.121 1.00 0.00 H new ATOM 0 HZ2 LYS A 756 11.033 0.752 -9.401 1.00 0.00 H new ATOM 0 HZ3 LYS A 756 9.523 0.719 -8.625 1.00 0.00 H new ATOM 103 N PRO A 757 13.239 6.794 -4.009 1.00 0.00 N ATOM 104 CA PRO A 757 13.940 6.771 -2.722 1.00 0.00 C ATOM 105 C PRO A 757 13.125 6.086 -1.631 1.00 0.00 C ATOM 106 O PRO A 757 13.566 5.101 -1.038 1.00 0.00 O ATOM 107 CB PRO A 757 14.132 8.254 -2.396 1.00 0.00 C ATOM 108 CG PRO A 757 14.100 8.940 -3.717 1.00 0.00 C ATOM 109 CD PRO A 757 13.172 8.150 -4.581 1.00 0.00 C ATOM 0 HA PRO A 757 14.872 6.209 -2.775 1.00 0.00 H new ATOM 0 HB2 PRO A 757 13.342 8.621 -1.740 1.00 0.00 H new ATOM 0 HB3 PRO A 757 15.078 8.427 -1.883 1.00 0.00 H new ATOM 0 HG2 PRO A 757 13.753 9.968 -3.612 1.00 0.00 H new ATOM 0 HG3 PRO A 757 15.097 8.984 -4.156 1.00 0.00 H new ATOM 0 HD2 PRO A 757 12.158 8.549 -4.550 1.00 0.00 H new ATOM 0 HD3 PRO A 757 13.488 8.161 -5.624 1.00 0.00 H new ATOM 117 N TYR A 758 11.934 6.613 -1.370 1.00 0.00 N ATOM 118 CA TYR A 758 11.057 6.053 -0.348 1.00 0.00 C ATOM 119 C TYR A 758 9.819 5.423 -0.978 1.00 0.00 C ATOM 120 O TYR A 758 8.774 6.064 -1.097 1.00 0.00 O ATOM 121 CB TYR A 758 10.642 7.138 0.647 1.00 0.00 C ATOM 122 CG TYR A 758 11.811 7.848 1.292 1.00 0.00 C ATOM 123 CD1 TYR A 758 12.425 8.926 0.667 1.00 0.00 C ATOM 124 CD2 TYR A 758 12.301 7.440 2.526 1.00 0.00 C ATOM 125 CE1 TYR A 758 13.494 9.577 1.252 1.00 0.00 C ATOM 126 CE2 TYR A 758 13.369 8.086 3.120 1.00 0.00 C ATOM 127 CZ TYR A 758 13.961 9.154 2.478 1.00 0.00 C ATOM 128 OH TYR A 758 15.026 9.799 3.065 1.00 0.00 O ATOM 0 H TYR A 758 11.553 7.427 -1.852 1.00 0.00 H new ATOM 0 HA TYR A 758 11.608 5.275 0.181 1.00 0.00 H new ATOM 0 HB2 TYR A 758 10.021 7.872 0.133 1.00 0.00 H new ATOM 0 HB3 TYR A 758 10.026 6.688 1.426 1.00 0.00 H new ATOM 0 HD1 TYR A 758 12.060 9.261 -0.293 1.00 0.00 H new ATOM 0 HD2 TYR A 758 11.840 6.604 3.030 1.00 0.00 H new ATOM 0 HE1 TYR A 758 13.961 10.412 0.752 1.00 0.00 H new ATOM 0 HE2 TYR A 758 13.738 7.757 4.080 1.00 0.00 H new ATOM 0 HH TYR A 758 15.229 9.378 3.926 1.00 0.00 H new ATOM 138 N VAL A 759 9.943 4.162 -1.379 1.00 0.00 N ATOM 139 CA VAL A 759 8.834 3.443 -1.995 1.00 0.00 C ATOM 140 C VAL A 759 8.909 1.952 -1.688 1.00 0.00 C ATOM 141 O VAL A 759 9.858 1.273 -2.079 1.00 0.00 O ATOM 142 CB VAL A 759 8.816 3.642 -3.522 1.00 0.00 C ATOM 143 CG1 VAL A 759 7.671 2.860 -4.149 1.00 0.00 C ATOM 144 CG2 VAL A 759 8.715 5.120 -3.866 1.00 0.00 C ATOM 0 H VAL A 759 10.800 3.617 -1.288 1.00 0.00 H new ATOM 0 HA VAL A 759 7.916 3.852 -1.572 1.00 0.00 H new ATOM 0 HB VAL A 759 9.752 3.261 -3.932 1.00 0.00 H new ATOM 0 HG11 VAL A 759 7.674 3.013 -5.228 1.00 0.00 H new ATOM 0 HG12 VAL A 759 7.794 1.799 -3.932 1.00 0.00 H new ATOM 0 HG13 VAL A 759 6.724 3.208 -3.736 1.00 0.00 H new ATOM 0 HG21 VAL A 759 8.704 5.242 -4.949 1.00 0.00 H new ATOM 0 HG22 VAL A 759 7.797 5.530 -3.445 1.00 0.00 H new ATOM 0 HG23 VAL A 759 9.572 5.650 -3.451 1.00 0.00 H new ATOM 154 N CYS A 760 7.900 1.447 -0.986 1.00 0.00 N ATOM 155 CA CYS A 760 7.849 0.035 -0.626 1.00 0.00 C ATOM 156 C CYS A 760 7.486 -0.822 -1.834 1.00 0.00 C ATOM 157 O CYS A 760 6.439 -0.629 -2.452 1.00 0.00 O ATOM 158 CB CYS A 760 6.834 -0.190 0.497 1.00 0.00 C ATOM 159 SG CYS A 760 6.997 -1.800 1.335 1.00 0.00 S ATOM 0 H CYS A 760 7.106 1.995 -0.655 1.00 0.00 H new ATOM 0 HA CYS A 760 8.838 -0.261 -0.277 1.00 0.00 H new ATOM 0 HB2 CYS A 760 6.943 0.605 1.235 1.00 0.00 H new ATOM 0 HB3 CYS A 760 5.828 -0.107 0.085 1.00 0.00 H new ATOM 164 N GLN A 761 8.358 -1.769 -2.165 1.00 0.00 N ATOM 165 CA GLN A 761 8.129 -2.656 -3.300 1.00 0.00 C ATOM 166 C GLN A 761 7.476 -3.959 -2.850 1.00 0.00 C ATOM 167 O GLN A 761 6.783 -4.617 -3.625 1.00 0.00 O ATOM 168 CB GLN A 761 9.447 -2.953 -4.016 1.00 0.00 C ATOM 169 CG GLN A 761 9.820 -1.912 -5.060 1.00 0.00 C ATOM 170 CD GLN A 761 11.197 -2.145 -5.650 1.00 0.00 C ATOM 171 OE1 GLN A 761 11.616 -3.286 -5.845 1.00 0.00 O ATOM 172 NE2 GLN A 761 11.909 -1.061 -5.938 1.00 0.00 N ATOM 0 H GLN A 761 9.229 -1.942 -1.664 1.00 0.00 H new ATOM 0 HA GLN A 761 7.453 -2.153 -3.992 1.00 0.00 H new ATOM 0 HB2 GLN A 761 10.246 -3.017 -3.277 1.00 0.00 H new ATOM 0 HB3 GLN A 761 9.378 -3.929 -4.496 1.00 0.00 H new ATOM 0 HG2 GLN A 761 9.079 -1.923 -5.860 1.00 0.00 H new ATOM 0 HG3 GLN A 761 9.786 -0.921 -4.608 1.00 0.00 H new ATOM 0 HE21 GLN A 761 11.522 -0.134 -5.760 1.00 0.00 H new ATOM 0 HE22 GLN A 761 12.843 -1.155 -6.337 1.00 0.00 H new ATOM 181 N GLU A 762 7.703 -4.325 -1.592 1.00 0.00 N ATOM 182 CA GLU A 762 7.138 -5.551 -1.040 1.00 0.00 C ATOM 183 C GLU A 762 5.631 -5.608 -1.274 1.00 0.00 C ATOM 184 O GLU A 762 5.086 -6.652 -1.634 1.00 0.00 O ATOM 185 CB GLU A 762 7.437 -5.648 0.457 1.00 0.00 C ATOM 186 CG GLU A 762 6.704 -6.783 1.152 1.00 0.00 C ATOM 187 CD GLU A 762 7.467 -7.326 2.345 1.00 0.00 C ATOM 188 OE1 GLU A 762 8.339 -6.604 2.871 1.00 0.00 O ATOM 189 OE2 GLU A 762 7.192 -8.475 2.751 1.00 0.00 O ATOM 0 H GLU A 762 8.274 -3.791 -0.937 1.00 0.00 H new ATOM 0 HA GLU A 762 7.600 -6.396 -1.550 1.00 0.00 H new ATOM 0 HB2 GLU A 762 8.510 -5.780 0.597 1.00 0.00 H new ATOM 0 HB3 GLU A 762 7.167 -4.706 0.935 1.00 0.00 H new ATOM 0 HG2 GLU A 762 5.726 -6.432 1.480 1.00 0.00 H new ATOM 0 HG3 GLU A 762 6.530 -7.589 0.439 1.00 0.00 H new ATOM 196 N CYS A 763 4.962 -4.478 -1.066 1.00 0.00 N ATOM 197 CA CYS A 763 3.519 -4.398 -1.252 1.00 0.00 C ATOM 198 C CYS A 763 3.169 -3.436 -2.383 1.00 0.00 C ATOM 199 O CYS A 763 2.123 -3.562 -3.019 1.00 0.00 O ATOM 200 CB CYS A 763 2.841 -3.948 0.044 1.00 0.00 C ATOM 201 SG CYS A 763 3.185 -2.218 0.501 1.00 0.00 S ATOM 0 H CYS A 763 5.397 -3.605 -0.768 1.00 0.00 H new ATOM 0 HA CYS A 763 3.156 -5.391 -1.518 1.00 0.00 H new ATOM 0 HB2 CYS A 763 1.764 -4.078 -0.058 1.00 0.00 H new ATOM 0 HB3 CYS A 763 3.165 -4.599 0.856 1.00 0.00 H new ATOM 206 N GLY A 764 4.053 -2.473 -2.629 1.00 0.00 N ATOM 207 CA GLY A 764 3.820 -1.504 -3.683 1.00 0.00 C ATOM 208 C GLY A 764 3.110 -0.262 -3.182 1.00 0.00 C ATOM 209 O GLY A 764 1.971 0.009 -3.564 1.00 0.00 O ATOM 0 H GLY A 764 4.926 -2.347 -2.117 1.00 0.00 H new ATOM 0 HA2 GLY A 764 4.774 -1.219 -4.128 1.00 0.00 H new ATOM 0 HA3 GLY A 764 3.226 -1.965 -4.472 1.00 0.00 H new ATOM 213 N LYS A 765 3.783 0.496 -2.323 1.00 0.00 N ATOM 214 CA LYS A 765 3.210 1.717 -1.767 1.00 0.00 C ATOM 215 C LYS A 765 4.196 2.876 -1.871 1.00 0.00 C ATOM 216 O LYS A 765 5.187 2.927 -1.142 1.00 0.00 O ATOM 217 CB LYS A 765 2.814 1.499 -0.305 1.00 0.00 C ATOM 218 CG LYS A 765 1.651 2.367 0.145 1.00 0.00 C ATOM 219 CD LYS A 765 2.012 3.843 0.116 1.00 0.00 C ATOM 220 CE LYS A 765 1.078 4.663 0.992 1.00 0.00 C ATOM 221 NZ LYS A 765 1.098 6.106 0.626 1.00 0.00 N ATOM 0 H LYS A 765 4.726 0.286 -1.996 1.00 0.00 H new ATOM 0 HA LYS A 765 2.320 1.967 -2.344 1.00 0.00 H new ATOM 0 HB2 LYS A 765 2.552 0.451 -0.161 1.00 0.00 H new ATOM 0 HB3 LYS A 765 3.676 1.702 0.331 1.00 0.00 H new ATOM 0 HG2 LYS A 765 0.792 2.189 -0.502 1.00 0.00 H new ATOM 0 HG3 LYS A 765 1.354 2.084 1.155 1.00 0.00 H new ATOM 0 HD2 LYS A 765 3.039 3.974 0.456 1.00 0.00 H new ATOM 0 HD3 LYS A 765 1.966 4.210 -0.909 1.00 0.00 H new ATOM 0 HE2 LYS A 765 0.062 4.279 0.899 1.00 0.00 H new ATOM 0 HE3 LYS A 765 1.367 4.549 2.037 1.00 0.00 H new ATOM 0 HZ1 LYS A 765 0.273 6.581 1.043 1.00 0.00 H new ATOM 0 HZ2 LYS A 765 1.969 6.544 0.988 1.00 0.00 H new ATOM 0 HZ3 LYS A 765 1.066 6.202 -0.409 1.00 0.00 H new ATOM 235 N ALA A 766 3.917 3.806 -2.779 1.00 0.00 N ATOM 236 CA ALA A 766 4.778 4.966 -2.974 1.00 0.00 C ATOM 237 C ALA A 766 4.339 6.129 -2.091 1.00 0.00 C ATOM 238 O ALA A 766 3.244 6.116 -1.528 1.00 0.00 O ATOM 239 CB ALA A 766 4.779 5.382 -4.437 1.00 0.00 C ATOM 0 H ALA A 766 3.101 3.778 -3.391 1.00 0.00 H new ATOM 0 HA ALA A 766 5.792 4.688 -2.686 1.00 0.00 H new ATOM 0 HB1 ALA A 766 5.426 6.249 -4.568 1.00 0.00 H new ATOM 0 HB2 ALA A 766 5.147 4.559 -5.049 1.00 0.00 H new ATOM 0 HB3 ALA A 766 3.764 5.636 -4.744 1.00 0.00 H new ATOM 245 N PHE A 767 5.200 7.135 -1.975 1.00 0.00 N ATOM 246 CA PHE A 767 4.902 8.306 -1.159 1.00 0.00 C ATOM 247 C PHE A 767 5.220 9.592 -1.916 1.00 0.00 C ATOM 248 O PHE A 767 5.638 9.558 -3.074 1.00 0.00 O ATOM 249 CB PHE A 767 5.698 8.260 0.147 1.00 0.00 C ATOM 250 CG PHE A 767 5.319 7.114 1.041 1.00 0.00 C ATOM 251 CD1 PHE A 767 4.108 7.114 1.714 1.00 0.00 C ATOM 252 CD2 PHE A 767 6.174 6.036 1.207 1.00 0.00 C ATOM 253 CE1 PHE A 767 3.757 6.061 2.537 1.00 0.00 C ATOM 254 CE2 PHE A 767 5.828 4.980 2.029 1.00 0.00 C ATOM 255 CZ PHE A 767 4.618 4.992 2.694 1.00 0.00 C ATOM 0 H PHE A 767 6.110 7.163 -2.436 1.00 0.00 H new ATOM 0 HA PHE A 767 3.837 8.295 -0.928 1.00 0.00 H new ATOM 0 HB2 PHE A 767 6.760 8.192 -0.087 1.00 0.00 H new ATOM 0 HB3 PHE A 767 5.550 9.195 0.686 1.00 0.00 H new ATOM 0 HD1 PHE A 767 3.431 7.947 1.594 1.00 0.00 H new ATOM 0 HD2 PHE A 767 7.121 6.021 0.688 1.00 0.00 H new ATOM 0 HE1 PHE A 767 2.811 6.074 3.057 1.00 0.00 H new ATOM 0 HE2 PHE A 767 6.504 4.146 2.151 1.00 0.00 H new ATOM 0 HZ PHE A 767 4.345 4.167 3.336 1.00 0.00 H new ATOM 265 N THR A 768 5.017 10.727 -1.255 1.00 0.00 N ATOM 266 CA THR A 768 5.279 12.024 -1.865 1.00 0.00 C ATOM 267 C THR A 768 6.624 12.582 -1.414 1.00 0.00 C ATOM 268 O THR A 768 7.572 12.646 -2.196 1.00 0.00 O ATOM 269 CB THR A 768 4.174 13.041 -1.521 1.00 0.00 C ATOM 270 OG1 THR A 768 2.901 12.543 -1.949 1.00 0.00 O ATOM 271 CG2 THR A 768 4.448 14.383 -2.182 1.00 0.00 C ATOM 0 H THR A 768 4.672 10.774 -0.296 1.00 0.00 H new ATOM 0 HA THR A 768 5.296 11.868 -2.944 1.00 0.00 H new ATOM 0 HB THR A 768 4.164 13.183 -0.440 1.00 0.00 H new ATOM 0 HG1 THR A 768 2.203 13.194 -1.726 1.00 0.00 H new ATOM 0 HG21 THR A 768 3.654 15.084 -1.924 1.00 0.00 H new ATOM 0 HG22 THR A 768 5.404 14.772 -1.832 1.00 0.00 H new ATOM 0 HG23 THR A 768 4.482 14.255 -3.264 1.00 0.00 H new ATOM 279 N GLN A 769 6.699 12.984 -0.149 1.00 0.00 N ATOM 280 CA GLN A 769 7.930 13.536 0.405 1.00 0.00 C ATOM 281 C GLN A 769 8.227 12.937 1.775 1.00 0.00 C ATOM 282 O GLN A 769 9.365 12.571 2.070 1.00 0.00 O ATOM 283 CB GLN A 769 7.827 15.059 0.512 1.00 0.00 C ATOM 284 CG GLN A 769 9.116 15.725 0.964 1.00 0.00 C ATOM 285 CD GLN A 769 8.905 17.155 1.422 1.00 0.00 C ATOM 286 OE1 GLN A 769 7.834 17.730 1.226 1.00 0.00 O ATOM 287 NE2 GLN A 769 9.927 17.737 2.038 1.00 0.00 N ATOM 0 H GLN A 769 5.923 12.938 0.511 1.00 0.00 H new ATOM 0 HA GLN A 769 8.749 13.280 -0.268 1.00 0.00 H new ATOM 0 HB2 GLN A 769 7.539 15.464 -0.458 1.00 0.00 H new ATOM 0 HB3 GLN A 769 7.031 15.313 1.213 1.00 0.00 H new ATOM 0 HG2 GLN A 769 9.553 15.147 1.779 1.00 0.00 H new ATOM 0 HG3 GLN A 769 9.834 15.712 0.144 1.00 0.00 H new ATOM 0 HE21 GLN A 769 10.797 17.223 2.179 1.00 0.00 H new ATOM 0 HE22 GLN A 769 9.842 18.698 2.370 1.00 0.00 H new ATOM 296 N SER A 770 7.197 12.839 2.609 1.00 0.00 N ATOM 297 CA SER A 770 7.349 12.288 3.951 1.00 0.00 C ATOM 298 C SER A 770 7.968 10.895 3.899 1.00 0.00 C ATOM 299 O SER A 770 7.478 10.012 3.194 1.00 0.00 O ATOM 300 CB SER A 770 5.993 12.230 4.658 1.00 0.00 C ATOM 301 OG SER A 770 5.599 13.514 5.111 1.00 0.00 O ATOM 0 H SER A 770 6.248 13.134 2.379 1.00 0.00 H new ATOM 0 HA SER A 770 8.016 12.942 4.513 1.00 0.00 H new ATOM 0 HB2 SER A 770 5.240 11.835 3.976 1.00 0.00 H new ATOM 0 HB3 SER A 770 6.049 11.544 5.503 1.00 0.00 H new ATOM 0 HG SER A 770 4.729 13.451 5.558 1.00 0.00 H new ATOM 307 N SER A 771 9.048 10.705 4.650 1.00 0.00 N ATOM 308 CA SER A 771 9.738 9.421 4.687 1.00 0.00 C ATOM 309 C SER A 771 8.985 8.426 5.564 1.00 0.00 C ATOM 310 O SER A 771 9.467 8.030 6.627 1.00 0.00 O ATOM 311 CB SER A 771 11.165 9.600 5.207 1.00 0.00 C ATOM 312 OG SER A 771 11.832 10.644 4.519 1.00 0.00 O ATOM 0 H SER A 771 9.464 11.424 5.241 1.00 0.00 H new ATOM 0 HA SER A 771 9.777 9.027 3.671 1.00 0.00 H new ATOM 0 HB2 SER A 771 11.141 9.821 6.274 1.00 0.00 H new ATOM 0 HB3 SER A 771 11.719 8.669 5.086 1.00 0.00 H new ATOM 0 HG SER A 771 12.483 10.261 3.895 1.00 0.00 H new ATOM 318 N CYS A 772 7.802 8.025 5.113 1.00 0.00 N ATOM 319 CA CYS A 772 6.981 7.076 5.856 1.00 0.00 C ATOM 320 C CYS A 772 7.492 5.651 5.668 1.00 0.00 C ATOM 321 O CYS A 772 7.296 4.792 6.529 1.00 0.00 O ATOM 322 CB CYS A 772 5.522 7.171 5.408 1.00 0.00 C ATOM 323 SG CYS A 772 4.373 6.216 6.426 1.00 0.00 S ATOM 0 H CYS A 772 7.390 8.342 4.236 1.00 0.00 H new ATOM 0 HA CYS A 772 7.045 7.329 6.914 1.00 0.00 H new ATOM 0 HB2 CYS A 772 5.217 8.217 5.419 1.00 0.00 H new ATOM 0 HB3 CYS A 772 5.447 6.828 4.376 1.00 0.00 H new ATOM 0 HG CYS A 772 5.009 5.236 6.995 1.00 0.00 H new ATOM 329 N LEU A 773 8.145 5.407 4.538 1.00 0.00 N ATOM 330 CA LEU A 773 8.684 4.085 4.235 1.00 0.00 C ATOM 331 C LEU A 773 9.568 3.584 5.373 1.00 0.00 C ATOM 332 O LEU A 773 9.663 2.381 5.614 1.00 0.00 O ATOM 333 CB LEU A 773 9.483 4.125 2.932 1.00 0.00 C ATOM 334 CG LEU A 773 10.204 2.832 2.547 1.00 0.00 C ATOM 335 CD1 LEU A 773 9.234 1.849 1.910 1.00 0.00 C ATOM 336 CD2 LEU A 773 11.362 3.127 1.606 1.00 0.00 C ATOM 0 H LEU A 773 8.315 6.107 3.816 1.00 0.00 H new ATOM 0 HA LEU A 773 7.847 3.396 4.119 1.00 0.00 H new ATOM 0 HB2 LEU A 773 8.806 4.395 2.122 1.00 0.00 H new ATOM 0 HB3 LEU A 773 10.223 4.922 3.007 1.00 0.00 H new ATOM 0 HG LEU A 773 10.605 2.379 3.453 1.00 0.00 H new ATOM 0 HD11 LEU A 773 9.765 0.935 1.643 1.00 0.00 H new ATOM 0 HD12 LEU A 773 8.439 1.613 2.617 1.00 0.00 H new ATOM 0 HD13 LEU A 773 8.802 2.293 1.013 1.00 0.00 H new ATOM 0 HD21 LEU A 773 11.863 2.196 1.343 1.00 0.00 H new ATOM 0 HD22 LEU A 773 10.984 3.604 0.702 1.00 0.00 H new ATOM 0 HD23 LEU A 773 12.070 3.794 2.098 1.00 0.00 H new ATOM 348 N SER A 774 10.210 4.515 6.070 1.00 0.00 N ATOM 349 CA SER A 774 11.088 4.168 7.182 1.00 0.00 C ATOM 350 C SER A 774 10.328 3.387 8.250 1.00 0.00 C ATOM 351 O SER A 774 10.875 2.478 8.876 1.00 0.00 O ATOM 352 CB SER A 774 11.696 5.431 7.793 1.00 0.00 C ATOM 353 OG SER A 774 12.045 5.224 9.151 1.00 0.00 O ATOM 0 H SER A 774 10.139 5.516 5.885 1.00 0.00 H new ATOM 0 HA SER A 774 11.890 3.538 6.797 1.00 0.00 H new ATOM 0 HB2 SER A 774 12.581 5.723 7.227 1.00 0.00 H new ATOM 0 HB3 SER A 774 10.985 6.254 7.718 1.00 0.00 H new ATOM 0 HG SER A 774 12.433 6.046 9.518 1.00 0.00 H new ATOM 359 N ILE A 775 9.066 3.749 8.453 1.00 0.00 N ATOM 360 CA ILE A 775 8.231 3.083 9.445 1.00 0.00 C ATOM 361 C ILE A 775 7.389 1.983 8.805 1.00 0.00 C ATOM 362 O ILE A 775 7.217 0.907 9.377 1.00 0.00 O ATOM 363 CB ILE A 775 7.298 4.080 10.156 1.00 0.00 C ATOM 364 CG1 ILE A 775 8.114 5.186 10.828 1.00 0.00 C ATOM 365 CG2 ILE A 775 6.431 3.358 11.178 1.00 0.00 C ATOM 366 CD1 ILE A 775 7.283 6.374 11.258 1.00 0.00 C ATOM 0 H ILE A 775 8.599 4.500 7.944 1.00 0.00 H new ATOM 0 HA ILE A 775 8.904 2.641 10.180 1.00 0.00 H new ATOM 0 HB ILE A 775 6.645 4.537 9.413 1.00 0.00 H new ATOM 0 HG12 ILE A 775 8.621 4.773 11.700 1.00 0.00 H new ATOM 0 HG13 ILE A 775 8.888 5.525 10.139 1.00 0.00 H new ATOM 0 HG21 ILE A 775 5.777 4.076 11.672 1.00 0.00 H new ATOM 0 HG22 ILE A 775 5.827 2.604 10.674 1.00 0.00 H new ATOM 0 HG23 ILE A 775 7.068 2.877 11.920 1.00 0.00 H new ATOM 0 HD11 ILE A 775 7.927 7.118 11.726 1.00 0.00 H new ATOM 0 HD12 ILE A 775 6.796 6.812 10.387 1.00 0.00 H new ATOM 0 HD13 ILE A 775 6.526 6.049 11.971 1.00 0.00 H new ATOM 378 N HIS A 776 6.869 2.261 7.614 1.00 0.00 N ATOM 379 CA HIS A 776 6.047 1.295 6.895 1.00 0.00 C ATOM 380 C HIS A 776 6.786 -0.029 6.727 1.00 0.00 C ATOM 381 O HIS A 776 6.175 -1.098 6.738 1.00 0.00 O ATOM 382 CB HIS A 776 5.653 1.849 5.525 1.00 0.00 C ATOM 383 CG HIS A 776 4.851 0.890 4.700 1.00 0.00 C ATOM 384 ND1 HIS A 776 3.547 0.552 4.993 1.00 0.00 N ATOM 385 CD2 HIS A 776 5.176 0.196 3.583 1.00 0.00 C ATOM 386 CE1 HIS A 776 3.104 -0.309 4.093 1.00 0.00 C ATOM 387 NE2 HIS A 776 4.074 -0.541 3.227 1.00 0.00 N ATOM 0 H HIS A 776 7.002 3.147 7.127 1.00 0.00 H new ATOM 0 HA HIS A 776 5.145 1.116 7.480 1.00 0.00 H new ATOM 0 HB2 HIS A 776 5.078 2.765 5.664 1.00 0.00 H new ATOM 0 HB3 HIS A 776 6.556 2.119 4.978 1.00 0.00 H new ATOM 0 HD1 HIS A 776 3.008 0.910 5.781 1.00 0.00 H new ATOM 0 HD2 HIS A 776 6.125 0.218 3.068 1.00 0.00 H new ATOM 0 HE1 HIS A 776 2.117 -0.748 4.070 1.00 0.00 H new ATOM 395 N ARG A 777 8.104 0.049 6.573 1.00 0.00 N ATOM 396 CA ARG A 777 8.925 -1.143 6.402 1.00 0.00 C ATOM 397 C ARG A 777 9.047 -1.913 7.714 1.00 0.00 C ATOM 398 O ARG A 777 9.276 -3.122 7.716 1.00 0.00 O ATOM 399 CB ARG A 777 10.316 -0.760 5.892 1.00 0.00 C ATOM 400 CG ARG A 777 10.388 -0.599 4.382 1.00 0.00 C ATOM 401 CD ARG A 777 11.791 -0.228 3.928 1.00 0.00 C ATOM 402 NE ARG A 777 12.683 -1.385 3.907 1.00 0.00 N ATOM 403 CZ ARG A 777 12.666 -2.309 2.954 1.00 0.00 C ATOM 404 NH1 ARG A 777 11.807 -2.213 1.948 1.00 0.00 N ATOM 405 NH2 ARG A 777 13.509 -3.333 3.005 1.00 0.00 N ATOM 0 H ARG A 777 8.626 0.925 6.563 1.00 0.00 H new ATOM 0 HA ARG A 777 8.440 -1.786 5.668 1.00 0.00 H new ATOM 0 HB2 ARG A 777 10.622 0.174 6.363 1.00 0.00 H new ATOM 0 HB3 ARG A 777 11.030 -1.523 6.202 1.00 0.00 H new ATOM 0 HG2 ARG A 777 10.082 -1.528 3.901 1.00 0.00 H new ATOM 0 HG3 ARG A 777 9.686 0.171 4.063 1.00 0.00 H new ATOM 0 HD2 ARG A 777 11.745 0.213 2.932 1.00 0.00 H new ATOM 0 HD3 ARG A 777 12.199 0.532 4.594 1.00 0.00 H new ATOM 0 HE ARG A 777 13.356 -1.488 4.667 1.00 0.00 H new ATOM 0 HH11 ARG A 777 11.157 -1.428 1.905 1.00 0.00 H new ATOM 0 HH12 ARG A 777 11.796 -2.924 1.217 1.00 0.00 H new ATOM 0 HH21 ARG A 777 14.171 -3.411 3.777 1.00 0.00 H new ATOM 0 HH22 ARG A 777 13.495 -4.042 2.272 1.00 0.00 H new ATOM 419 N ARG A 778 8.892 -1.203 8.826 1.00 0.00 N ATOM 420 CA ARG A 778 8.986 -1.819 10.145 1.00 0.00 C ATOM 421 C ARG A 778 7.830 -2.788 10.375 1.00 0.00 C ATOM 422 O ARG A 778 8.042 -3.970 10.648 1.00 0.00 O ATOM 423 CB ARG A 778 8.990 -0.745 11.234 1.00 0.00 C ATOM 424 CG ARG A 778 9.970 0.386 10.970 1.00 0.00 C ATOM 425 CD ARG A 778 11.405 -0.117 10.934 1.00 0.00 C ATOM 426 NE ARG A 778 11.803 -0.728 12.199 1.00 0.00 N ATOM 427 CZ ARG A 778 12.845 -1.541 12.327 1.00 0.00 C ATOM 428 NH1 ARG A 778 13.591 -1.838 11.272 1.00 0.00 N ATOM 429 NH2 ARG A 778 13.143 -2.058 13.512 1.00 0.00 N ATOM 0 H ARG A 778 8.701 -0.201 8.841 1.00 0.00 H new ATOM 0 HA ARG A 778 9.921 -2.377 10.192 1.00 0.00 H new ATOM 0 HB2 ARG A 778 7.986 -0.330 11.327 1.00 0.00 H new ATOM 0 HB3 ARG A 778 9.233 -1.209 12.190 1.00 0.00 H new ATOM 0 HG2 ARG A 778 9.727 0.865 10.021 1.00 0.00 H new ATOM 0 HG3 ARG A 778 9.869 1.145 11.746 1.00 0.00 H new ATOM 0 HD2 ARG A 778 11.514 -0.845 10.130 1.00 0.00 H new ATOM 0 HD3 ARG A 778 12.074 0.713 10.706 1.00 0.00 H new ATOM 0 HE ARG A 778 11.250 -0.519 13.030 1.00 0.00 H new ATOM 0 HH11 ARG A 778 13.365 -1.442 10.360 1.00 0.00 H new ATOM 0 HH12 ARG A 778 14.391 -2.463 11.373 1.00 0.00 H new ATOM 0 HH21 ARG A 778 12.571 -1.831 14.326 1.00 0.00 H new ATOM 0 HH22 ARG A 778 13.944 -2.682 13.609 1.00 0.00 H new ATOM 443 N VAL A 779 6.607 -2.279 10.265 1.00 0.00 N ATOM 444 CA VAL A 779 5.417 -3.099 10.462 1.00 0.00 C ATOM 445 C VAL A 779 5.457 -4.344 9.583 1.00 0.00 C ATOM 446 O VAL A 779 4.887 -5.380 9.929 1.00 0.00 O ATOM 447 CB VAL A 779 4.133 -2.307 10.152 1.00 0.00 C ATOM 448 CG1 VAL A 779 3.936 -1.191 11.167 1.00 0.00 C ATOM 449 CG2 VAL A 779 4.178 -1.750 8.737 1.00 0.00 C ATOM 0 H VAL A 779 6.414 -1.303 10.041 1.00 0.00 H new ATOM 0 HA VAL A 779 5.407 -3.397 11.510 1.00 0.00 H new ATOM 0 HB VAL A 779 3.283 -2.985 10.223 1.00 0.00 H new ATOM 0 HG11 VAL A 779 3.024 -0.642 10.932 1.00 0.00 H new ATOM 0 HG12 VAL A 779 3.855 -1.618 12.166 1.00 0.00 H new ATOM 0 HG13 VAL A 779 4.788 -0.512 11.131 1.00 0.00 H new ATOM 0 HG21 VAL A 779 3.263 -1.194 8.536 1.00 0.00 H new ATOM 0 HG22 VAL A 779 5.036 -1.086 8.634 1.00 0.00 H new ATOM 0 HG23 VAL A 779 4.267 -2.571 8.026 1.00 0.00 H new ATOM 459 N HIS A 780 6.135 -4.238 8.445 1.00 0.00 N ATOM 460 CA HIS A 780 6.251 -5.356 7.516 1.00 0.00 C ATOM 461 C HIS A 780 7.116 -6.466 8.107 1.00 0.00 C ATOM 462 O HIS A 780 8.323 -6.519 7.871 1.00 0.00 O ATOM 463 CB HIS A 780 6.843 -4.885 6.188 1.00 0.00 C ATOM 464 CG HIS A 780 5.812 -4.449 5.193 1.00 0.00 C ATOM 465 ND1 HIS A 780 4.616 -5.111 5.010 1.00 0.00 N ATOM 466 CD2 HIS A 780 5.801 -3.409 4.327 1.00 0.00 C ATOM 467 CE1 HIS A 780 3.916 -4.498 4.072 1.00 0.00 C ATOM 468 NE2 HIS A 780 4.612 -3.462 3.642 1.00 0.00 N ATOM 0 H HIS A 780 6.613 -3.389 8.144 1.00 0.00 H new ATOM 0 HA HIS A 780 5.252 -5.753 7.338 1.00 0.00 H new ATOM 0 HB2 HIS A 780 7.526 -4.057 6.378 1.00 0.00 H new ATOM 0 HB3 HIS A 780 7.434 -5.693 5.756 1.00 0.00 H new ATOM 0 HD1 HIS A 780 4.319 -5.943 5.519 1.00 0.00 H new ATOM 0 HD2 HIS A 780 6.582 -2.674 4.199 1.00 0.00 H new ATOM 0 HE1 HIS A 780 2.940 -4.794 3.717 1.00 0.00 H new ATOM 476 N THR A 781 6.490 -7.351 8.877 1.00 0.00 N ATOM 477 CA THR A 781 7.202 -8.457 9.504 1.00 0.00 C ATOM 478 C THR A 781 6.489 -9.781 9.255 1.00 0.00 C ATOM 479 O THR A 781 5.712 -10.245 10.088 1.00 0.00 O ATOM 480 CB THR A 781 7.349 -8.244 11.022 1.00 0.00 C ATOM 481 OG1 THR A 781 6.204 -7.550 11.532 1.00 0.00 O ATOM 482 CG2 THR A 781 8.609 -7.454 11.339 1.00 0.00 C ATOM 0 H THR A 781 5.491 -7.323 9.081 1.00 0.00 H new ATOM 0 HA THR A 781 8.193 -8.490 9.052 1.00 0.00 H new ATOM 0 HB THR A 781 7.424 -9.222 11.498 1.00 0.00 H new ATOM 0 HG1 THR A 781 6.304 -7.420 12.498 1.00 0.00 H new ATOM 0 HG21 THR A 781 8.691 -7.317 12.417 1.00 0.00 H new ATOM 0 HG22 THR A 781 9.481 -7.998 10.976 1.00 0.00 H new ATOM 0 HG23 THR A 781 8.560 -6.480 10.852 1.00 0.00 H new ATOM 490 N GLY A 782 6.759 -10.386 8.102 1.00 0.00 N ATOM 491 CA GLY A 782 6.135 -11.652 7.764 1.00 0.00 C ATOM 492 C GLY A 782 7.014 -12.840 8.102 1.00 0.00 C ATOM 493 O GLY A 782 6.532 -13.853 8.608 1.00 0.00 O ATOM 0 H GLY A 782 7.399 -10.022 7.396 1.00 0.00 H new ATOM 0 HA2 GLY A 782 5.189 -11.741 8.297 1.00 0.00 H new ATOM 0 HA3 GLY A 782 5.903 -11.667 6.699 1.00 0.00 H new ATOM 497 N GLU A 783 8.308 -12.716 7.821 1.00 0.00 N ATOM 498 CA GLU A 783 9.255 -13.790 8.097 1.00 0.00 C ATOM 499 C GLU A 783 9.340 -14.070 9.595 1.00 0.00 C ATOM 500 O GLU A 783 8.820 -13.307 10.409 1.00 0.00 O ATOM 501 CB GLU A 783 10.640 -13.431 7.555 1.00 0.00 C ATOM 502 CG GLU A 783 10.754 -13.558 6.045 1.00 0.00 C ATOM 503 CD GLU A 783 12.053 -12.990 5.508 1.00 0.00 C ATOM 504 OE1 GLU A 783 12.245 -11.759 5.597 1.00 0.00 O ATOM 505 OE2 GLU A 783 12.879 -13.776 5.000 1.00 0.00 O ATOM 0 H GLU A 783 8.724 -11.884 7.403 1.00 0.00 H new ATOM 0 HA GLU A 783 8.899 -14.690 7.596 1.00 0.00 H new ATOM 0 HB2 GLU A 783 10.880 -12.408 7.844 1.00 0.00 H new ATOM 0 HB3 GLU A 783 11.383 -14.077 8.023 1.00 0.00 H new ATOM 0 HG2 GLU A 783 10.679 -14.609 5.766 1.00 0.00 H new ATOM 0 HG3 GLU A 783 9.915 -13.043 5.577 1.00 0.00 H new ATOM 512 N SER A 784 9.998 -15.169 9.949 1.00 0.00 N ATOM 513 CA SER A 784 10.148 -15.552 11.348 1.00 0.00 C ATOM 514 C SER A 784 11.620 -15.731 11.708 1.00 0.00 C ATOM 515 O SER A 784 12.413 -16.214 10.901 1.00 0.00 O ATOM 516 CB SER A 784 9.381 -16.846 11.629 1.00 0.00 C ATOM 517 OG SER A 784 9.907 -17.924 10.874 1.00 0.00 O ATOM 0 H SER A 784 10.436 -15.810 9.287 1.00 0.00 H new ATOM 0 HA SER A 784 9.736 -14.753 11.964 1.00 0.00 H new ATOM 0 HB2 SER A 784 9.435 -17.081 12.692 1.00 0.00 H new ATOM 0 HB3 SER A 784 8.327 -16.708 11.387 1.00 0.00 H new ATOM 0 HG SER A 784 9.401 -18.740 11.072 1.00 0.00 H new ATOM 523 N GLY A 785 11.977 -15.337 12.927 1.00 0.00 N ATOM 524 CA GLY A 785 13.352 -15.461 13.373 1.00 0.00 C ATOM 525 C GLY A 785 13.533 -15.040 14.818 1.00 0.00 C ATOM 526 O GLY A 785 14.084 -13.980 15.114 1.00 0.00 O ATOM 0 H GLY A 785 11.338 -14.934 13.613 1.00 0.00 H new ATOM 0 HA2 GLY A 785 13.677 -16.495 13.256 1.00 0.00 H new ATOM 0 HA3 GLY A 785 13.993 -14.851 12.737 1.00 0.00 H new ATOM 530 N PRO A 786 13.059 -15.883 15.748 1.00 0.00 N ATOM 531 CA PRO A 786 13.159 -15.613 17.185 1.00 0.00 C ATOM 532 C PRO A 786 14.577 -15.800 17.713 1.00 0.00 C ATOM 533 O PRO A 786 14.885 -16.809 18.348 1.00 0.00 O ATOM 534 CB PRO A 786 12.216 -16.647 17.807 1.00 0.00 C ATOM 535 CG PRO A 786 12.177 -17.764 16.822 1.00 0.00 C ATOM 536 CD PRO A 786 12.390 -17.164 15.468 1.00 0.00 C ATOM 0 HA PRO A 786 12.901 -14.582 17.425 1.00 0.00 H new ATOM 0 HB2 PRO A 786 12.583 -16.986 18.776 1.00 0.00 H new ATOM 0 HB3 PRO A 786 11.223 -16.229 17.971 1.00 0.00 H new ATOM 0 HG2 PRO A 786 12.950 -18.500 17.043 1.00 0.00 H new ATOM 0 HG3 PRO A 786 11.220 -18.284 16.867 1.00 0.00 H new ATOM 0 HD2 PRO A 786 13.006 -17.807 14.839 1.00 0.00 H new ATOM 0 HD3 PRO A 786 11.446 -17.015 14.944 1.00 0.00 H new ATOM 544 N SER A 787 15.436 -14.821 17.448 1.00 0.00 N ATOM 545 CA SER A 787 16.823 -14.880 17.894 1.00 0.00 C ATOM 546 C SER A 787 16.948 -14.418 19.342 1.00 0.00 C ATOM 547 O SER A 787 17.341 -13.283 19.612 1.00 0.00 O ATOM 548 CB SER A 787 17.708 -14.016 16.993 1.00 0.00 C ATOM 549 OG SER A 787 16.994 -12.895 16.500 1.00 0.00 O ATOM 0 H SER A 787 15.196 -13.978 16.927 1.00 0.00 H new ATOM 0 HA SER A 787 17.155 -15.916 17.831 1.00 0.00 H new ATOM 0 HB2 SER A 787 18.581 -13.678 17.552 1.00 0.00 H new ATOM 0 HB3 SER A 787 18.075 -14.613 16.158 1.00 0.00 H new ATOM 0 HG SER A 787 16.679 -12.351 17.252 1.00 0.00 H new ATOM 555 N SER A 788 16.611 -15.306 20.272 1.00 0.00 N ATOM 556 CA SER A 788 16.681 -14.990 21.693 1.00 0.00 C ATOM 557 C SER A 788 17.375 -16.108 22.465 1.00 0.00 C ATOM 558 O SER A 788 16.863 -16.593 23.472 1.00 0.00 O ATOM 559 CB SER A 788 15.277 -14.761 22.256 1.00 0.00 C ATOM 560 OG SER A 788 15.332 -14.359 23.614 1.00 0.00 O ATOM 0 H SER A 788 16.287 -16.251 20.066 1.00 0.00 H new ATOM 0 HA SER A 788 17.264 -14.076 21.808 1.00 0.00 H new ATOM 0 HB2 SER A 788 14.766 -13.999 21.668 1.00 0.00 H new ATOM 0 HB3 SER A 788 14.692 -15.677 22.168 1.00 0.00 H new ATOM 0 HG SER A 788 15.813 -15.035 24.136 1.00 0.00 H new ATOM 566 N GLY A 789 18.547 -16.512 21.984 1.00 0.00 N ATOM 567 CA GLY A 789 19.294 -17.570 22.639 1.00 0.00 C ATOM 568 C GLY A 789 18.615 -18.920 22.517 1.00 0.00 C ATOM 569 O GLY A 789 18.619 -19.495 21.429 1.00 0.00 O ATOM 0 H GLY A 789 18.993 -16.125 21.152 1.00 0.00 H new ATOM 0 HA2 GLY A 789 20.292 -17.628 22.205 1.00 0.00 H new ATOM 0 HA3 GLY A 789 19.419 -17.323 23.693 1.00 0.00 H new TER 573 GLY A 789 HETATM 574 ZN ZN A 201 4.759 -2.158 2.085 1.00 0.00 ZN