USER MOD reduce.3.24.130724 H: found=0, std=0, add=274, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 275 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: A 776 HIS HE2 : A 776 HIS NE2 : A 201 ZNZN :(H bumps) USER MOD NoAdj-H: A 780 HIS HE2 : A 780 HIS NE2 : A 201 ZNZN :(H bumps) USER MOD Single : A 749 SER OG : rot 180:sc= -0.215 USER MOD Single : A 750 SER OG : rot 20:sc= 0.195 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= -0.324 K(o=-0.32,f=-2.1) USER MOD Single : A 765 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 768 THR OG1 : rot 56:sc= 0.588 USER MOD Single : A 769 GLN : amide:sc= -0.187 K(o=-0.19,f=-1.5!) USER MOD Single : A 770 SER OG : rot 180:sc= -0.0367 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= 0.0123 USER MOD Single : A 787 SER OG : rot 27:sc= 1.14 USER MOD Single : A 788 SER OG : rot 180:sc= 0.043 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 748 20.143 4.212 -28.218 1.00 0.00 N ATOM 2 CA GLY A 748 19.342 4.908 -27.228 1.00 0.00 C ATOM 3 C GLY A 748 20.098 6.043 -26.565 1.00 0.00 C ATOM 4 O GLY A 748 21.220 6.362 -26.956 1.00 0.00 O ATOM 0 HA2 GLY A 748 18.444 5.302 -27.704 1.00 0.00 H new ATOM 0 HA3 GLY A 748 19.015 4.200 -26.467 1.00 0.00 H new ATOM 8 N SER A 749 19.480 6.655 -25.559 1.00 0.00 N ATOM 9 CA SER A 749 20.100 7.764 -24.844 1.00 0.00 C ATOM 10 C SER A 749 19.507 7.907 -23.445 1.00 0.00 C ATOM 11 O SER A 749 18.306 7.724 -23.246 1.00 0.00 O ATOM 12 CB SER A 749 19.915 9.067 -25.623 1.00 0.00 C ATOM 13 OG SER A 749 20.488 8.974 -26.916 1.00 0.00 O ATOM 0 H SER A 749 18.551 6.401 -25.221 1.00 0.00 H new ATOM 0 HA SER A 749 21.165 7.553 -24.749 1.00 0.00 H new ATOM 0 HB2 SER A 749 18.853 9.296 -25.708 1.00 0.00 H new ATOM 0 HB3 SER A 749 20.375 9.890 -25.076 1.00 0.00 H new ATOM 0 HG SER A 749 20.355 9.819 -27.394 1.00 0.00 H new ATOM 19 N SER A 750 20.359 8.234 -22.479 1.00 0.00 N ATOM 20 CA SER A 750 19.923 8.398 -21.098 1.00 0.00 C ATOM 21 C SER A 750 19.711 9.872 -20.766 1.00 0.00 C ATOM 22 O SER A 750 20.581 10.707 -21.011 1.00 0.00 O ATOM 23 CB SER A 750 20.950 7.791 -20.140 1.00 0.00 C ATOM 24 OG SER A 750 22.143 8.554 -20.121 1.00 0.00 O ATOM 0 H SER A 750 21.356 8.391 -22.628 1.00 0.00 H new ATOM 0 HA SER A 750 18.973 7.876 -20.979 1.00 0.00 H new ATOM 0 HB2 SER A 750 20.530 7.742 -19.135 1.00 0.00 H new ATOM 0 HB3 SER A 750 21.174 6.768 -20.442 1.00 0.00 H new ATOM 0 HG SER A 750 21.960 9.456 -20.457 1.00 0.00 H new ATOM 30 N GLY A 751 18.546 10.185 -20.206 1.00 0.00 N ATOM 31 CA GLY A 751 18.239 11.558 -19.849 1.00 0.00 C ATOM 32 C GLY A 751 16.766 11.767 -19.563 1.00 0.00 C ATOM 33 O GLY A 751 15.988 12.073 -20.467 1.00 0.00 O ATOM 0 H GLY A 751 17.810 9.512 -19.993 1.00 0.00 H new ATOM 0 HA2 GLY A 751 18.820 11.840 -18.971 1.00 0.00 H new ATOM 0 HA3 GLY A 751 18.546 12.218 -20.660 1.00 0.00 H new ATOM 37 N SER A 752 16.380 11.601 -18.302 1.00 0.00 N ATOM 38 CA SER A 752 14.988 11.768 -17.900 1.00 0.00 C ATOM 39 C SER A 752 14.859 11.777 -16.380 1.00 0.00 C ATOM 40 O SER A 752 15.840 11.586 -15.661 1.00 0.00 O ATOM 41 CB SER A 752 14.127 10.650 -18.490 1.00 0.00 C ATOM 42 OG SER A 752 14.218 9.471 -17.711 1.00 0.00 O ATOM 0 H SER A 752 17.012 11.351 -17.541 1.00 0.00 H new ATOM 0 HA SER A 752 14.638 12.727 -18.283 1.00 0.00 H new ATOM 0 HB2 SER A 752 13.088 10.976 -18.542 1.00 0.00 H new ATOM 0 HB3 SER A 752 14.447 10.441 -19.511 1.00 0.00 H new ATOM 0 HG SER A 752 13.657 8.772 -18.108 1.00 0.00 H new ATOM 48 N SER A 753 13.641 11.999 -15.897 1.00 0.00 N ATOM 49 CA SER A 753 13.382 12.036 -14.462 1.00 0.00 C ATOM 50 C SER A 753 12.656 10.772 -14.008 1.00 0.00 C ATOM 51 O SER A 753 12.317 9.913 -14.820 1.00 0.00 O ATOM 52 CB SER A 753 12.553 13.270 -14.104 1.00 0.00 C ATOM 53 OG SER A 753 13.379 14.410 -13.943 1.00 0.00 O ATOM 0 H SER A 753 12.818 12.156 -16.478 1.00 0.00 H new ATOM 0 HA SER A 753 14.341 12.089 -13.946 1.00 0.00 H new ATOM 0 HB2 SER A 753 11.818 13.457 -14.886 1.00 0.00 H new ATOM 0 HB3 SER A 753 11.999 13.085 -13.184 1.00 0.00 H new ATOM 0 HG SER A 753 12.825 15.186 -13.716 1.00 0.00 H new ATOM 59 N GLY A 754 12.422 10.668 -12.704 1.00 0.00 N ATOM 60 CA GLY A 754 11.739 9.508 -12.163 1.00 0.00 C ATOM 61 C GLY A 754 10.724 9.876 -11.099 1.00 0.00 C ATOM 62 O GLY A 754 9.622 9.329 -11.068 1.00 0.00 O ATOM 0 H GLY A 754 12.693 11.367 -12.012 1.00 0.00 H new ATOM 0 HA2 GLY A 754 11.237 8.976 -12.971 1.00 0.00 H new ATOM 0 HA3 GLY A 754 12.473 8.823 -11.739 1.00 0.00 H new ATOM 66 N GLU A 755 11.097 10.805 -10.224 1.00 0.00 N ATOM 67 CA GLU A 755 10.210 11.243 -9.152 1.00 0.00 C ATOM 68 C GLU A 755 9.788 10.065 -8.280 1.00 0.00 C ATOM 69 O GLU A 755 8.657 10.011 -7.794 1.00 0.00 O ATOM 70 CB GLU A 755 8.973 11.932 -9.733 1.00 0.00 C ATOM 71 CG GLU A 755 9.300 13.108 -10.637 1.00 0.00 C ATOM 72 CD GLU A 755 8.135 14.067 -10.791 1.00 0.00 C ATOM 73 OE1 GLU A 755 7.318 14.162 -9.851 1.00 0.00 O ATOM 74 OE2 GLU A 755 8.040 14.722 -11.850 1.00 0.00 O ATOM 0 H GLU A 755 12.006 11.268 -10.236 1.00 0.00 H new ATOM 0 HA GLU A 755 10.755 11.954 -8.532 1.00 0.00 H new ATOM 0 HB2 GLU A 755 8.392 11.202 -10.296 1.00 0.00 H new ATOM 0 HB3 GLU A 755 8.342 12.278 -8.914 1.00 0.00 H new ATOM 0 HG2 GLU A 755 10.157 13.646 -10.232 1.00 0.00 H new ATOM 0 HG3 GLU A 755 9.592 12.736 -11.619 1.00 0.00 H new ATOM 81 N LYS A 756 10.703 9.122 -8.086 1.00 0.00 N ATOM 82 CA LYS A 756 10.428 7.944 -7.272 1.00 0.00 C ATOM 83 C LYS A 756 11.674 7.506 -6.509 1.00 0.00 C ATOM 84 O LYS A 756 12.256 6.454 -6.774 1.00 0.00 O ATOM 85 CB LYS A 756 9.927 6.796 -8.152 1.00 0.00 C ATOM 86 CG LYS A 756 8.585 7.073 -8.807 1.00 0.00 C ATOM 87 CD LYS A 756 7.858 5.785 -9.155 1.00 0.00 C ATOM 88 CE LYS A 756 8.371 5.191 -10.458 1.00 0.00 C ATOM 89 NZ LYS A 756 7.705 5.797 -11.644 1.00 0.00 N ATOM 0 H LYS A 756 11.643 9.150 -8.482 1.00 0.00 H new ATOM 0 HA LYS A 756 9.654 8.205 -6.550 1.00 0.00 H new ATOM 0 HB2 LYS A 756 10.666 6.595 -8.928 1.00 0.00 H new ATOM 0 HB3 LYS A 756 9.847 5.893 -7.546 1.00 0.00 H new ATOM 0 HG2 LYS A 756 7.968 7.670 -8.136 1.00 0.00 H new ATOM 0 HG3 LYS A 756 8.735 7.663 -9.711 1.00 0.00 H new ATOM 0 HD2 LYS A 756 7.988 5.063 -8.349 1.00 0.00 H new ATOM 0 HD3 LYS A 756 6.789 5.980 -9.239 1.00 0.00 H new ATOM 0 HE2 LYS A 756 9.448 5.345 -10.528 1.00 0.00 H new ATOM 0 HE3 LYS A 756 8.202 4.114 -10.457 1.00 0.00 H new ATOM 0 HZ1 LYS A 756 8.082 5.366 -12.512 1.00 0.00 H new ATOM 0 HZ2 LYS A 756 6.680 5.628 -11.590 1.00 0.00 H new ATOM 0 HZ3 LYS A 756 7.887 6.821 -11.659 1.00 0.00 H new ATOM 103 N PRO A 757 12.094 8.331 -5.538 1.00 0.00 N ATOM 104 CA PRO A 757 13.274 8.049 -4.715 1.00 0.00 C ATOM 105 C PRO A 757 13.015 6.956 -3.684 1.00 0.00 C ATOM 106 O PRO A 757 13.853 6.081 -3.468 1.00 0.00 O ATOM 107 CB PRO A 757 13.550 9.384 -4.021 1.00 0.00 C ATOM 108 CG PRO A 757 12.228 10.070 -3.979 1.00 0.00 C ATOM 109 CD PRO A 757 11.449 9.602 -5.168 1.00 0.00 C ATOM 0 HA PRO A 757 14.109 7.683 -5.313 1.00 0.00 H new ATOM 0 HB2 PRO A 757 13.950 9.234 -3.018 1.00 0.00 H new ATOM 0 HB3 PRO A 757 14.284 9.972 -4.572 1.00 0.00 H new ATOM 0 HG2 PRO A 757 11.700 9.832 -3.055 1.00 0.00 H new ATOM 0 HG3 PRO A 757 12.355 11.152 -4.004 1.00 0.00 H new ATOM 0 HD2 PRO A 757 10.396 9.459 -4.925 1.00 0.00 H new ATOM 0 HD3 PRO A 757 11.493 10.324 -5.983 1.00 0.00 H new ATOM 117 N TYR A 758 11.848 7.012 -3.051 1.00 0.00 N ATOM 118 CA TYR A 758 11.479 6.028 -2.041 1.00 0.00 C ATOM 119 C TYR A 758 10.112 5.422 -2.344 1.00 0.00 C ATOM 120 O TYR A 758 9.092 6.112 -2.308 1.00 0.00 O ATOM 121 CB TYR A 758 11.468 6.670 -0.653 1.00 0.00 C ATOM 122 CG TYR A 758 12.693 7.508 -0.363 1.00 0.00 C ATOM 123 CD1 TYR A 758 13.840 6.934 0.172 1.00 0.00 C ATOM 124 CD2 TYR A 758 12.703 8.872 -0.623 1.00 0.00 C ATOM 125 CE1 TYR A 758 14.961 7.696 0.438 1.00 0.00 C ATOM 126 CE2 TYR A 758 13.820 9.641 -0.361 1.00 0.00 C ATOM 127 CZ TYR A 758 14.947 9.048 0.170 1.00 0.00 C ATOM 128 OH TYR A 758 16.061 9.811 0.433 1.00 0.00 O ATOM 0 H TYR A 758 11.142 7.728 -3.220 1.00 0.00 H new ATOM 0 HA TYR A 758 12.222 5.231 -2.059 1.00 0.00 H new ATOM 0 HB2 TYR A 758 10.580 7.295 -0.558 1.00 0.00 H new ATOM 0 HB3 TYR A 758 11.388 5.886 0.100 1.00 0.00 H new ATOM 0 HD1 TYR A 758 13.855 5.875 0.383 1.00 0.00 H new ATOM 0 HD2 TYR A 758 11.822 9.340 -1.037 1.00 0.00 H new ATOM 0 HE1 TYR A 758 15.844 7.235 0.854 1.00 0.00 H new ATOM 0 HE2 TYR A 758 13.811 10.700 -0.571 1.00 0.00 H new ATOM 0 HH TYR A 758 15.885 10.743 0.186 1.00 0.00 H new ATOM 138 N VAL A 759 10.099 4.127 -2.642 1.00 0.00 N ATOM 139 CA VAL A 759 8.858 3.426 -2.951 1.00 0.00 C ATOM 140 C VAL A 759 8.889 1.996 -2.423 1.00 0.00 C ATOM 141 O VAL A 759 9.689 1.174 -2.872 1.00 0.00 O ATOM 142 CB VAL A 759 8.592 3.396 -4.468 1.00 0.00 C ATOM 143 CG1 VAL A 759 7.270 2.705 -4.765 1.00 0.00 C ATOM 144 CG2 VAL A 759 8.605 4.807 -5.038 1.00 0.00 C ATOM 0 H VAL A 759 10.934 3.542 -2.676 1.00 0.00 H new ATOM 0 HA VAL A 759 8.054 3.975 -2.460 1.00 0.00 H new ATOM 0 HB VAL A 759 9.388 2.826 -4.948 1.00 0.00 H new ATOM 0 HG11 VAL A 759 7.099 2.693 -5.841 1.00 0.00 H new ATOM 0 HG12 VAL A 759 7.303 1.681 -4.392 1.00 0.00 H new ATOM 0 HG13 VAL A 759 6.459 3.244 -4.275 1.00 0.00 H new ATOM 0 HG21 VAL A 759 8.416 4.768 -6.111 1.00 0.00 H new ATOM 0 HG22 VAL A 759 7.830 5.402 -4.554 1.00 0.00 H new ATOM 0 HG23 VAL A 759 9.578 5.263 -4.858 1.00 0.00 H new ATOM 154 N CYS A 760 8.012 1.704 -1.468 1.00 0.00 N ATOM 155 CA CYS A 760 7.938 0.373 -0.878 1.00 0.00 C ATOM 156 C CYS A 760 7.789 -0.693 -1.960 1.00 0.00 C ATOM 157 O CYS A 760 7.109 -0.483 -2.963 1.00 0.00 O ATOM 158 CB CYS A 760 6.764 0.291 0.100 1.00 0.00 C ATOM 159 SG CYS A 760 6.685 -1.270 1.036 1.00 0.00 S ATOM 0 H CYS A 760 7.342 2.372 -1.086 1.00 0.00 H new ATOM 0 HA CYS A 760 8.866 0.189 -0.337 1.00 0.00 H new ATOM 0 HB2 CYS A 760 6.832 1.121 0.803 1.00 0.00 H new ATOM 0 HB3 CYS A 760 5.834 0.418 -0.454 1.00 0.00 H new ATOM 164 N GLN A 761 8.431 -1.838 -1.746 1.00 0.00 N ATOM 165 CA GLN A 761 8.370 -2.937 -2.703 1.00 0.00 C ATOM 166 C GLN A 761 7.692 -4.156 -2.088 1.00 0.00 C ATOM 167 O GLN A 761 7.109 -4.976 -2.797 1.00 0.00 O ATOM 168 CB GLN A 761 9.777 -3.306 -3.178 1.00 0.00 C ATOM 169 CG GLN A 761 10.468 -2.196 -3.954 1.00 0.00 C ATOM 170 CD GLN A 761 9.749 -1.850 -5.243 1.00 0.00 C ATOM 171 OE1 GLN A 761 8.843 -2.565 -5.673 1.00 0.00 O ATOM 172 NE2 GLN A 761 10.149 -0.749 -5.867 1.00 0.00 N ATOM 0 H GLN A 761 8.998 -2.028 -0.920 1.00 0.00 H new ATOM 0 HA GLN A 761 7.780 -2.609 -3.559 1.00 0.00 H new ATOM 0 HB2 GLN A 761 10.387 -3.567 -2.313 1.00 0.00 H new ATOM 0 HB3 GLN A 761 9.718 -4.195 -3.806 1.00 0.00 H new ATOM 0 HG2 GLN A 761 10.532 -1.306 -3.328 1.00 0.00 H new ATOM 0 HG3 GLN A 761 11.490 -2.499 -4.183 1.00 0.00 H new ATOM 0 HE21 GLN A 761 10.904 -0.186 -5.475 1.00 0.00 H new ATOM 0 HE22 GLN A 761 9.702 -0.466 -6.739 1.00 0.00 H new ATOM 181 N GLU A 762 7.773 -4.269 -0.766 1.00 0.00 N ATOM 182 CA GLU A 762 7.167 -5.390 -0.057 1.00 0.00 C ATOM 183 C GLU A 762 5.693 -5.535 -0.426 1.00 0.00 C ATOM 184 O GLU A 762 5.229 -6.625 -0.760 1.00 0.00 O ATOM 185 CB GLU A 762 7.309 -5.203 1.455 1.00 0.00 C ATOM 186 CG GLU A 762 8.747 -5.023 1.913 1.00 0.00 C ATOM 187 CD GLU A 762 9.604 -6.243 1.638 1.00 0.00 C ATOM 188 OE1 GLU A 762 9.545 -7.202 2.436 1.00 0.00 O ATOM 189 OE2 GLU A 762 10.335 -6.238 0.625 1.00 0.00 O ATOM 0 H GLU A 762 8.252 -3.599 -0.165 1.00 0.00 H new ATOM 0 HA GLU A 762 7.689 -6.299 -0.354 1.00 0.00 H new ATOM 0 HB2 GLU A 762 6.727 -4.334 1.761 1.00 0.00 H new ATOM 0 HB3 GLU A 762 6.881 -6.068 1.962 1.00 0.00 H new ATOM 0 HG2 GLU A 762 9.179 -4.159 1.409 1.00 0.00 H new ATOM 0 HG3 GLU A 762 8.760 -4.808 2.982 1.00 0.00 H new ATOM 196 N CYS A 763 4.962 -4.427 -0.362 1.00 0.00 N ATOM 197 CA CYS A 763 3.541 -4.428 -0.688 1.00 0.00 C ATOM 198 C CYS A 763 3.262 -3.557 -1.909 1.00 0.00 C ATOM 199 O CYS A 763 2.289 -3.774 -2.631 1.00 0.00 O ATOM 200 CB CYS A 763 2.722 -3.930 0.505 1.00 0.00 C ATOM 201 SG CYS A 763 2.947 -2.161 0.874 1.00 0.00 S ATOM 0 H CYS A 763 5.331 -3.517 -0.087 1.00 0.00 H new ATOM 0 HA CYS A 763 3.248 -5.452 -0.920 1.00 0.00 H new ATOM 0 HB2 CYS A 763 1.666 -4.118 0.311 1.00 0.00 H new ATOM 0 HB3 CYS A 763 2.993 -4.511 1.386 1.00 0.00 H new ATOM 206 N GLY A 764 4.124 -2.570 -2.134 1.00 0.00 N ATOM 207 CA GLY A 764 3.953 -1.681 -3.269 1.00 0.00 C ATOM 208 C GLY A 764 3.205 -0.414 -2.905 1.00 0.00 C ATOM 209 O GLY A 764 2.000 -0.306 -3.137 1.00 0.00 O ATOM 0 H GLY A 764 4.937 -2.370 -1.551 1.00 0.00 H new ATOM 0 HA2 GLY A 764 4.931 -1.419 -3.672 1.00 0.00 H new ATOM 0 HA3 GLY A 764 3.413 -2.204 -4.058 1.00 0.00 H new ATOM 213 N LYS A 765 3.918 0.549 -2.331 1.00 0.00 N ATOM 214 CA LYS A 765 3.315 1.815 -1.933 1.00 0.00 C ATOM 215 C LYS A 765 4.299 2.967 -2.115 1.00 0.00 C ATOM 216 O LYS A 765 5.493 2.823 -1.858 1.00 0.00 O ATOM 217 CB LYS A 765 2.856 1.749 -0.474 1.00 0.00 C ATOM 218 CG LYS A 765 1.516 1.058 -0.289 1.00 0.00 C ATOM 219 CD LYS A 765 0.360 1.986 -0.621 1.00 0.00 C ATOM 220 CE LYS A 765 -0.879 1.646 0.192 1.00 0.00 C ATOM 221 NZ LYS A 765 -2.132 2.015 -0.524 1.00 0.00 N ATOM 0 H LYS A 765 4.916 0.476 -2.131 1.00 0.00 H new ATOM 0 HA LYS A 765 2.450 1.994 -2.572 1.00 0.00 H new ATOM 0 HB2 LYS A 765 3.610 1.224 0.112 1.00 0.00 H new ATOM 0 HB3 LYS A 765 2.791 2.762 -0.076 1.00 0.00 H new ATOM 0 HG2 LYS A 765 1.470 0.175 -0.927 1.00 0.00 H new ATOM 0 HG3 LYS A 765 1.423 0.713 0.741 1.00 0.00 H new ATOM 0 HD2 LYS A 765 0.653 3.018 -0.426 1.00 0.00 H new ATOM 0 HD3 LYS A 765 0.129 1.916 -1.684 1.00 0.00 H new ATOM 0 HE2 LYS A 765 -0.887 0.578 0.412 1.00 0.00 H new ATOM 0 HE3 LYS A 765 -0.840 2.168 1.148 1.00 0.00 H new ATOM 0 HZ1 LYS A 765 -2.953 1.767 0.064 1.00 0.00 H new ATOM 0 HZ2 LYS A 765 -2.136 3.038 -0.711 1.00 0.00 H new ATOM 0 HZ3 LYS A 765 -2.182 1.498 -1.425 1.00 0.00 H new ATOM 235 N ALA A 766 3.787 4.111 -2.560 1.00 0.00 N ATOM 236 CA ALA A 766 4.620 5.288 -2.773 1.00 0.00 C ATOM 237 C ALA A 766 4.210 6.426 -1.844 1.00 0.00 C ATOM 238 O ALA A 766 3.151 6.379 -1.219 1.00 0.00 O ATOM 239 CB ALA A 766 4.540 5.735 -4.225 1.00 0.00 C ATOM 0 H ALA A 766 2.800 4.247 -2.780 1.00 0.00 H new ATOM 0 HA ALA A 766 5.651 5.020 -2.543 1.00 0.00 H new ATOM 0 HB1 ALA A 766 5.167 6.615 -4.370 1.00 0.00 H new ATOM 0 HB2 ALA A 766 4.888 4.931 -4.873 1.00 0.00 H new ATOM 0 HB3 ALA A 766 3.507 5.980 -4.474 1.00 0.00 H new ATOM 245 N PHE A 767 5.057 7.446 -1.757 1.00 0.00 N ATOM 246 CA PHE A 767 4.783 8.596 -0.903 1.00 0.00 C ATOM 247 C PHE A 767 5.246 9.890 -1.567 1.00 0.00 C ATOM 248 O PHE A 767 6.120 9.879 -2.434 1.00 0.00 O ATOM 249 CB PHE A 767 5.476 8.428 0.451 1.00 0.00 C ATOM 250 CG PHE A 767 5.114 7.152 1.156 1.00 0.00 C ATOM 251 CD1 PHE A 767 3.936 7.054 1.878 1.00 0.00 C ATOM 252 CD2 PHE A 767 5.953 6.051 1.096 1.00 0.00 C ATOM 253 CE1 PHE A 767 3.600 5.881 2.527 1.00 0.00 C ATOM 254 CE2 PHE A 767 5.622 4.875 1.743 1.00 0.00 C ATOM 255 CZ PHE A 767 4.445 4.791 2.460 1.00 0.00 C ATOM 0 H PHE A 767 5.939 7.500 -2.267 1.00 0.00 H new ATOM 0 HA PHE A 767 3.706 8.654 -0.748 1.00 0.00 H new ATOM 0 HB2 PHE A 767 6.556 8.459 0.304 1.00 0.00 H new ATOM 0 HB3 PHE A 767 5.217 9.273 1.090 1.00 0.00 H new ATOM 0 HD1 PHE A 767 3.272 7.904 1.934 1.00 0.00 H new ATOM 0 HD2 PHE A 767 6.876 6.112 0.538 1.00 0.00 H new ATOM 0 HE1 PHE A 767 2.678 5.817 3.086 1.00 0.00 H new ATOM 0 HE2 PHE A 767 6.283 4.023 1.688 1.00 0.00 H new ATOM 0 HZ PHE A 767 4.186 3.874 2.968 1.00 0.00 H new ATOM 265 N THR A 768 4.651 11.005 -1.154 1.00 0.00 N ATOM 266 CA THR A 768 5.000 12.307 -1.709 1.00 0.00 C ATOM 267 C THR A 768 6.306 12.824 -1.119 1.00 0.00 C ATOM 268 O THR A 768 6.312 13.781 -0.345 1.00 0.00 O ATOM 269 CB THR A 768 3.888 13.342 -1.453 1.00 0.00 C ATOM 270 OG1 THR A 768 3.659 13.477 -0.046 1.00 0.00 O ATOM 271 CG2 THR A 768 2.597 12.932 -2.145 1.00 0.00 C ATOM 0 H THR A 768 3.926 11.032 -0.437 1.00 0.00 H new ATOM 0 HA THR A 768 5.120 12.171 -2.784 1.00 0.00 H new ATOM 0 HB THR A 768 4.212 14.299 -1.861 1.00 0.00 H new ATOM 0 HG1 THR A 768 4.498 13.716 0.400 1.00 0.00 H new ATOM 0 HG21 THR A 768 1.827 13.678 -1.950 1.00 0.00 H new ATOM 0 HG22 THR A 768 2.767 12.859 -3.219 1.00 0.00 H new ATOM 0 HG23 THR A 768 2.271 11.965 -1.763 1.00 0.00 H new ATOM 279 N GLN A 769 7.412 12.186 -1.490 1.00 0.00 N ATOM 280 CA GLN A 769 8.725 12.584 -0.996 1.00 0.00 C ATOM 281 C GLN A 769 8.732 12.665 0.526 1.00 0.00 C ATOM 282 O GLN A 769 9.326 13.574 1.107 1.00 0.00 O ATOM 283 CB GLN A 769 9.131 13.933 -1.593 1.00 0.00 C ATOM 284 CG GLN A 769 9.291 13.906 -3.104 1.00 0.00 C ATOM 285 CD GLN A 769 7.998 14.215 -3.834 1.00 0.00 C ATOM 286 OE1 GLN A 769 7.169 14.988 -3.352 1.00 0.00 O ATOM 287 NE2 GLN A 769 7.819 13.612 -5.003 1.00 0.00 N ATOM 0 H GLN A 769 7.425 11.392 -2.130 1.00 0.00 H new ATOM 0 HA GLN A 769 9.446 11.827 -1.304 1.00 0.00 H new ATOM 0 HB2 GLN A 769 8.381 14.678 -1.329 1.00 0.00 H new ATOM 0 HB3 GLN A 769 10.071 14.252 -1.142 1.00 0.00 H new ATOM 0 HG2 GLN A 769 10.051 14.629 -3.398 1.00 0.00 H new ATOM 0 HG3 GLN A 769 9.651 12.924 -3.410 1.00 0.00 H new ATOM 0 HE21 GLN A 769 8.532 12.979 -5.365 1.00 0.00 H new ATOM 0 HE22 GLN A 769 6.968 13.782 -5.539 1.00 0.00 H new ATOM 296 N SER A 770 8.068 11.709 1.168 1.00 0.00 N ATOM 297 CA SER A 770 7.995 11.674 2.624 1.00 0.00 C ATOM 298 C SER A 770 8.930 10.610 3.190 1.00 0.00 C ATOM 299 O SER A 770 9.646 9.938 2.448 1.00 0.00 O ATOM 300 CB SER A 770 6.559 11.401 3.077 1.00 0.00 C ATOM 301 OG SER A 770 6.314 10.009 3.183 1.00 0.00 O ATOM 0 H SER A 770 7.573 10.948 0.703 1.00 0.00 H new ATOM 0 HA SER A 770 8.309 12.647 3.002 1.00 0.00 H new ATOM 0 HB2 SER A 770 6.381 11.879 4.040 1.00 0.00 H new ATOM 0 HB3 SER A 770 5.860 11.844 2.367 1.00 0.00 H new ATOM 0 HG SER A 770 5.390 9.861 3.475 1.00 0.00 H new ATOM 307 N SER A 771 8.919 10.464 4.511 1.00 0.00 N ATOM 308 CA SER A 771 9.768 9.484 5.179 1.00 0.00 C ATOM 309 C SER A 771 8.926 8.431 5.893 1.00 0.00 C ATOM 310 O SER A 771 9.294 7.948 6.964 1.00 0.00 O ATOM 311 CB SER A 771 10.693 10.179 6.181 1.00 0.00 C ATOM 312 OG SER A 771 11.402 11.242 5.568 1.00 0.00 O ATOM 0 H SER A 771 8.332 11.012 5.140 1.00 0.00 H new ATOM 0 HA SER A 771 10.372 8.987 4.420 1.00 0.00 H new ATOM 0 HB2 SER A 771 10.107 10.562 7.016 1.00 0.00 H new ATOM 0 HB3 SER A 771 11.398 9.456 6.592 1.00 0.00 H new ATOM 0 HG SER A 771 11.985 11.671 6.229 1.00 0.00 H new ATOM 318 N CYS A 772 7.795 8.081 5.291 1.00 0.00 N ATOM 319 CA CYS A 772 6.899 7.085 5.868 1.00 0.00 C ATOM 320 C CYS A 772 7.375 5.673 5.546 1.00 0.00 C ATOM 321 O CYS A 772 7.100 4.728 6.287 1.00 0.00 O ATOM 322 CB CYS A 772 5.475 7.287 5.348 1.00 0.00 C ATOM 323 SG CYS A 772 4.198 6.523 6.375 1.00 0.00 S ATOM 0 H CYS A 772 7.477 8.472 4.404 1.00 0.00 H new ATOM 0 HA CYS A 772 6.904 7.212 6.951 1.00 0.00 H new ATOM 0 HB2 CYS A 772 5.275 8.356 5.274 1.00 0.00 H new ATOM 0 HB3 CYS A 772 5.407 6.879 4.339 1.00 0.00 H new ATOM 0 HG CYS A 772 3.029 6.750 5.854 1.00 0.00 H new ATOM 329 N LEU A 773 8.090 5.534 4.434 1.00 0.00 N ATOM 330 CA LEU A 773 8.604 4.236 4.012 1.00 0.00 C ATOM 331 C LEU A 773 9.427 3.589 5.121 1.00 0.00 C ATOM 332 O LEU A 773 9.456 2.366 5.253 1.00 0.00 O ATOM 333 CB LEU A 773 9.457 4.389 2.751 1.00 0.00 C ATOM 334 CG LEU A 773 10.180 3.130 2.273 1.00 0.00 C ATOM 335 CD1 LEU A 773 9.178 2.050 1.895 1.00 0.00 C ATOM 336 CD2 LEU A 773 11.090 3.451 1.096 1.00 0.00 C ATOM 0 H LEU A 773 8.327 6.305 3.809 1.00 0.00 H new ATOM 0 HA LEU A 773 7.754 3.590 3.792 1.00 0.00 H new ATOM 0 HB2 LEU A 773 8.816 4.744 1.944 1.00 0.00 H new ATOM 0 HB3 LEU A 773 10.201 5.165 2.932 1.00 0.00 H new ATOM 0 HG LEU A 773 10.796 2.756 3.091 1.00 0.00 H new ATOM 0 HD11 LEU A 773 9.711 1.161 1.557 1.00 0.00 H new ATOM 0 HD12 LEU A 773 8.568 1.799 2.763 1.00 0.00 H new ATOM 0 HD13 LEU A 773 8.535 2.414 1.093 1.00 0.00 H new ATOM 0 HD21 LEU A 773 11.596 2.543 0.769 1.00 0.00 H new ATOM 0 HD22 LEU A 773 10.495 3.850 0.275 1.00 0.00 H new ATOM 0 HD23 LEU A 773 11.831 4.190 1.400 1.00 0.00 H new ATOM 348 N SER A 774 10.093 4.419 5.917 1.00 0.00 N ATOM 349 CA SER A 774 10.918 3.928 7.015 1.00 0.00 C ATOM 350 C SER A 774 10.100 3.052 7.959 1.00 0.00 C ATOM 351 O SER A 774 10.301 1.839 8.028 1.00 0.00 O ATOM 352 CB SER A 774 11.528 5.099 7.787 1.00 0.00 C ATOM 353 OG SER A 774 12.369 4.640 8.831 1.00 0.00 O ATOM 0 H SER A 774 10.078 5.434 5.822 1.00 0.00 H new ATOM 0 HA SER A 774 11.721 3.325 6.592 1.00 0.00 H new ATOM 0 HB2 SER A 774 12.100 5.729 7.106 1.00 0.00 H new ATOM 0 HB3 SER A 774 10.733 5.718 8.202 1.00 0.00 H new ATOM 0 HG SER A 774 12.748 5.408 9.308 1.00 0.00 H new ATOM 359 N ILE A 775 9.179 3.676 8.685 1.00 0.00 N ATOM 360 CA ILE A 775 8.330 2.954 9.625 1.00 0.00 C ATOM 361 C ILE A 775 7.403 1.986 8.897 1.00 0.00 C ATOM 362 O ILE A 775 7.048 0.933 9.427 1.00 0.00 O ATOM 363 CB ILE A 775 7.481 3.920 10.473 1.00 0.00 C ATOM 364 CG1 ILE A 775 8.379 4.941 11.175 1.00 0.00 C ATOM 365 CG2 ILE A 775 6.655 3.146 11.489 1.00 0.00 C ATOM 366 CD1 ILE A 775 7.613 6.060 11.844 1.00 0.00 C ATOM 0 H ILE A 775 9.001 4.679 8.641 1.00 0.00 H new ATOM 0 HA ILE A 775 8.994 2.393 10.283 1.00 0.00 H new ATOM 0 HB ILE A 775 6.800 4.457 9.813 1.00 0.00 H new ATOM 0 HG12 ILE A 775 8.983 4.428 11.923 1.00 0.00 H new ATOM 0 HG13 ILE A 775 9.068 5.368 10.447 1.00 0.00 H new ATOM 0 HG21 ILE A 775 6.060 3.842 12.081 1.00 0.00 H new ATOM 0 HG22 ILE A 775 5.993 2.455 10.968 1.00 0.00 H new ATOM 0 HG23 ILE A 775 7.319 2.586 12.147 1.00 0.00 H new ATOM 0 HD11 ILE A 775 8.313 6.746 12.321 1.00 0.00 H new ATOM 0 HD12 ILE A 775 7.029 6.599 11.097 1.00 0.00 H new ATOM 0 HD13 ILE A 775 6.943 5.643 12.597 1.00 0.00 H new ATOM 378 N HIS A 776 7.016 2.349 7.678 1.00 0.00 N ATOM 379 CA HIS A 776 6.132 1.511 6.876 1.00 0.00 C ATOM 380 C HIS A 776 6.741 0.129 6.660 1.00 0.00 C ATOM 381 O HIS A 776 6.026 -0.869 6.581 1.00 0.00 O ATOM 382 CB HIS A 776 5.852 2.174 5.527 1.00 0.00 C ATOM 383 CG HIS A 776 4.961 1.366 4.635 1.00 0.00 C ATOM 384 ND1 HIS A 776 3.646 1.084 4.941 1.00 0.00 N ATOM 385 CD2 HIS A 776 5.202 0.779 3.440 1.00 0.00 C ATOM 386 CE1 HIS A 776 3.117 0.357 3.973 1.00 0.00 C ATOM 387 NE2 HIS A 776 4.040 0.159 3.049 1.00 0.00 N ATOM 0 H HIS A 776 7.301 3.217 7.225 1.00 0.00 H new ATOM 0 HA HIS A 776 5.193 1.394 7.417 1.00 0.00 H new ATOM 0 HB2 HIS A 776 5.394 3.148 5.699 1.00 0.00 H new ATOM 0 HB3 HIS A 776 6.798 2.353 5.016 1.00 0.00 H new ATOM 0 HD1 HIS A 776 3.158 1.389 5.783 1.00 0.00 H new ATOM 0 HD2 HIS A 776 6.134 0.795 2.895 1.00 0.00 H new ATOM 0 HE1 HIS A 776 2.103 -0.013 3.942 1.00 0.00 H new ATOM 395 N ARG A 777 8.066 0.080 6.565 1.00 0.00 N ATOM 396 CA ARG A 777 8.771 -1.179 6.356 1.00 0.00 C ATOM 397 C ARG A 777 8.854 -1.977 7.654 1.00 0.00 C ATOM 398 O ARG A 777 8.944 -3.205 7.634 1.00 0.00 O ATOM 399 CB ARG A 777 10.178 -0.916 5.816 1.00 0.00 C ATOM 400 CG ARG A 777 10.247 -0.862 4.298 1.00 0.00 C ATOM 401 CD ARG A 777 11.524 -0.187 3.823 1.00 0.00 C ATOM 402 NE ARG A 777 11.692 -0.292 2.376 1.00 0.00 N ATOM 403 CZ ARG A 777 12.662 0.317 1.703 1.00 0.00 C ATOM 404 NH1 ARG A 777 13.547 1.068 2.343 1.00 0.00 N ATOM 405 NH2 ARG A 777 12.749 0.173 0.386 1.00 0.00 N ATOM 0 H ARG A 777 8.673 0.897 6.629 1.00 0.00 H new ATOM 0 HA ARG A 777 8.212 -1.763 5.625 1.00 0.00 H new ATOM 0 HB2 ARG A 777 10.543 0.027 6.222 1.00 0.00 H new ATOM 0 HB3 ARG A 777 10.848 -1.698 6.174 1.00 0.00 H new ATOM 0 HG2 ARG A 777 10.197 -1.873 3.894 1.00 0.00 H new ATOM 0 HG3 ARG A 777 9.383 -0.321 3.912 1.00 0.00 H new ATOM 0 HD2 ARG A 777 11.507 0.864 4.111 1.00 0.00 H new ATOM 0 HD3 ARG A 777 12.381 -0.640 4.321 1.00 0.00 H new ATOM 0 HE ARG A 777 11.028 -0.864 1.854 1.00 0.00 H new ATOM 0 HH11 ARG A 777 13.484 1.180 3.355 1.00 0.00 H new ATOM 0 HH12 ARG A 777 14.291 1.534 1.824 1.00 0.00 H new ATOM 0 HH21 ARG A 777 12.071 -0.406 -0.110 1.00 0.00 H new ATOM 0 HH22 ARG A 777 13.494 0.641 -0.130 1.00 0.00 H new ATOM 419 N ARG A 778 8.823 -1.271 8.780 1.00 0.00 N ATOM 420 CA ARG A 778 8.896 -1.914 10.086 1.00 0.00 C ATOM 421 C ARG A 778 7.691 -2.822 10.313 1.00 0.00 C ATOM 422 O ARG A 778 7.776 -3.815 11.037 1.00 0.00 O ATOM 423 CB ARG A 778 8.970 -0.860 11.193 1.00 0.00 C ATOM 424 CG ARG A 778 10.087 0.152 10.997 1.00 0.00 C ATOM 425 CD ARG A 778 11.455 -0.494 11.143 1.00 0.00 C ATOM 426 NE ARG A 778 11.788 -0.762 12.540 1.00 0.00 N ATOM 427 CZ ARG A 778 12.786 -1.552 12.919 1.00 0.00 C ATOM 428 NH1 ARG A 778 13.545 -2.149 12.011 1.00 0.00 N ATOM 429 NH2 ARG A 778 13.027 -1.746 14.209 1.00 0.00 N ATOM 0 H ARG A 778 8.748 -0.254 8.814 1.00 0.00 H new ATOM 0 HA ARG A 778 9.799 -2.524 10.113 1.00 0.00 H new ATOM 0 HB2 ARG A 778 8.018 -0.332 11.244 1.00 0.00 H new ATOM 0 HB3 ARG A 778 9.109 -1.361 12.151 1.00 0.00 H new ATOM 0 HG2 ARG A 778 10.001 0.604 10.009 1.00 0.00 H new ATOM 0 HG3 ARG A 778 9.983 0.956 11.726 1.00 0.00 H new ATOM 0 HD2 ARG A 778 11.477 -1.427 10.580 1.00 0.00 H new ATOM 0 HD3 ARG A 778 12.212 0.159 10.709 1.00 0.00 H new ATOM 0 HE ARG A 778 11.223 -0.318 13.264 1.00 0.00 H new ATOM 0 HH11 ARG A 778 13.363 -2.002 11.018 1.00 0.00 H new ATOM 0 HH12 ARG A 778 14.311 -2.755 12.305 1.00 0.00 H new ATOM 0 HH21 ARG A 778 12.446 -1.288 14.911 1.00 0.00 H new ATOM 0 HH22 ARG A 778 13.794 -2.353 14.499 1.00 0.00 H new ATOM 443 N VAL A 779 6.569 -2.475 9.691 1.00 0.00 N ATOM 444 CA VAL A 779 5.347 -3.259 9.825 1.00 0.00 C ATOM 445 C VAL A 779 5.168 -4.205 8.642 1.00 0.00 C ATOM 446 O VAL A 779 4.052 -4.418 8.167 1.00 0.00 O ATOM 447 CB VAL A 779 4.107 -2.352 9.934 1.00 0.00 C ATOM 448 CG1 VAL A 779 4.166 -1.518 11.205 1.00 0.00 C ATOM 449 CG2 VAL A 779 3.990 -1.460 8.707 1.00 0.00 C ATOM 0 H VAL A 779 6.481 -1.656 9.089 1.00 0.00 H new ATOM 0 HA VAL A 779 5.444 -3.841 10.741 1.00 0.00 H new ATOM 0 HB VAL A 779 3.220 -2.983 9.982 1.00 0.00 H new ATOM 0 HG11 VAL A 779 3.282 -0.883 11.265 1.00 0.00 H new ATOM 0 HG12 VAL A 779 4.199 -2.178 12.072 1.00 0.00 H new ATOM 0 HG13 VAL A 779 5.060 -0.894 11.190 1.00 0.00 H new ATOM 0 HG21 VAL A 779 3.108 -0.826 8.801 1.00 0.00 H new ATOM 0 HG22 VAL A 779 4.879 -0.835 8.625 1.00 0.00 H new ATOM 0 HG23 VAL A 779 3.898 -2.079 7.815 1.00 0.00 H new ATOM 459 N HIS A 780 6.275 -4.769 8.171 1.00 0.00 N ATOM 460 CA HIS A 780 6.241 -5.694 7.043 1.00 0.00 C ATOM 461 C HIS A 780 6.983 -6.985 7.377 1.00 0.00 C ATOM 462 O HIS A 780 8.213 -7.034 7.344 1.00 0.00 O ATOM 463 CB HIS A 780 6.858 -5.044 5.805 1.00 0.00 C ATOM 464 CG HIS A 780 5.867 -4.301 4.962 1.00 0.00 C ATOM 465 ND1 HIS A 780 4.601 -4.777 4.693 1.00 0.00 N ATOM 466 CD2 HIS A 780 5.962 -3.108 4.329 1.00 0.00 C ATOM 467 CE1 HIS A 780 3.961 -3.910 3.929 1.00 0.00 C ATOM 468 NE2 HIS A 780 4.764 -2.888 3.695 1.00 0.00 N ATOM 0 H HIS A 780 7.206 -4.602 8.552 1.00 0.00 H new ATOM 0 HA HIS A 780 5.199 -5.937 6.835 1.00 0.00 H new ATOM 0 HB2 HIS A 780 7.643 -4.356 6.119 1.00 0.00 H new ATOM 0 HB3 HIS A 780 7.333 -5.815 5.198 1.00 0.00 H new ATOM 0 HD1 HIS A 780 4.219 -5.660 5.031 1.00 0.00 H new ATOM 0 HD2 HIS A 780 6.820 -2.452 4.324 1.00 0.00 H new ATOM 0 HE1 HIS A 780 2.952 -4.019 3.559 1.00 0.00 H new ATOM 476 N THR A 781 6.226 -8.030 7.700 1.00 0.00 N ATOM 477 CA THR A 781 6.811 -9.320 8.041 1.00 0.00 C ATOM 478 C THR A 781 7.777 -9.790 6.960 1.00 0.00 C ATOM 479 O THR A 781 8.739 -10.504 7.240 1.00 0.00 O ATOM 480 CB THR A 781 5.725 -10.393 8.244 1.00 0.00 C ATOM 481 OG1 THR A 781 6.319 -11.612 8.705 1.00 0.00 O ATOM 482 CG2 THR A 781 4.969 -10.650 6.949 1.00 0.00 C ATOM 0 H THR A 781 5.207 -8.007 7.732 1.00 0.00 H new ATOM 0 HA THR A 781 7.355 -9.182 8.975 1.00 0.00 H new ATOM 0 HB THR A 781 5.021 -10.027 8.991 1.00 0.00 H new ATOM 0 HG1 THR A 781 5.621 -12.288 8.833 1.00 0.00 H new ATOM 0 HG21 THR A 781 4.207 -11.411 7.117 1.00 0.00 H new ATOM 0 HG22 THR A 781 4.493 -9.728 6.617 1.00 0.00 H new ATOM 0 HG23 THR A 781 5.664 -10.995 6.184 1.00 0.00 H new ATOM 490 N GLY A 782 7.515 -9.384 5.721 1.00 0.00 N ATOM 491 CA GLY A 782 8.371 -9.772 4.616 1.00 0.00 C ATOM 492 C GLY A 782 9.815 -9.366 4.831 1.00 0.00 C ATOM 493 O GLY A 782 10.092 -8.336 5.445 1.00 0.00 O ATOM 0 H GLY A 782 6.725 -8.793 5.463 1.00 0.00 H new ATOM 0 HA2 GLY A 782 8.317 -10.852 4.480 1.00 0.00 H new ATOM 0 HA3 GLY A 782 8.002 -9.317 3.697 1.00 0.00 H new ATOM 497 N GLU A 783 10.739 -10.177 4.324 1.00 0.00 N ATOM 498 CA GLU A 783 12.163 -9.896 4.467 1.00 0.00 C ATOM 499 C GLU A 783 12.888 -10.072 3.136 1.00 0.00 C ATOM 500 O GLU A 783 12.298 -10.510 2.148 1.00 0.00 O ATOM 501 CB GLU A 783 12.783 -10.813 5.523 1.00 0.00 C ATOM 502 CG GLU A 783 12.717 -12.288 5.163 1.00 0.00 C ATOM 503 CD GLU A 783 12.918 -13.191 6.364 1.00 0.00 C ATOM 504 OE1 GLU A 783 13.759 -12.857 7.224 1.00 0.00 O ATOM 505 OE2 GLU A 783 12.233 -14.232 6.444 1.00 0.00 O ATOM 0 H GLU A 783 10.527 -11.033 3.811 1.00 0.00 H new ATOM 0 HA GLU A 783 12.273 -8.860 4.787 1.00 0.00 H new ATOM 0 HB2 GLU A 783 13.825 -10.530 5.671 1.00 0.00 H new ATOM 0 HB3 GLU A 783 12.272 -10.656 6.473 1.00 0.00 H new ATOM 0 HG2 GLU A 783 11.750 -12.504 4.708 1.00 0.00 H new ATOM 0 HG3 GLU A 783 13.478 -12.510 4.415 1.00 0.00 H new ATOM 512 N SER A 784 14.171 -9.725 3.117 1.00 0.00 N ATOM 513 CA SER A 784 14.976 -9.840 1.907 1.00 0.00 C ATOM 514 C SER A 784 15.899 -11.053 1.981 1.00 0.00 C ATOM 515 O SER A 784 16.120 -11.740 0.985 1.00 0.00 O ATOM 516 CB SER A 784 15.802 -8.569 1.696 1.00 0.00 C ATOM 517 OG SER A 784 16.254 -8.044 2.932 1.00 0.00 O ATOM 0 H SER A 784 14.675 -9.362 3.926 1.00 0.00 H new ATOM 0 HA SER A 784 14.300 -9.971 1.062 1.00 0.00 H new ATOM 0 HB2 SER A 784 16.657 -8.789 1.056 1.00 0.00 H new ATOM 0 HB3 SER A 784 15.200 -7.822 1.178 1.00 0.00 H new ATOM 0 HG SER A 784 16.781 -7.233 2.770 1.00 0.00 H new ATOM 523 N GLY A 785 16.434 -11.309 3.171 1.00 0.00 N ATOM 524 CA GLY A 785 17.327 -12.439 3.354 1.00 0.00 C ATOM 525 C GLY A 785 18.711 -12.182 2.791 1.00 0.00 C ATOM 526 O GLY A 785 18.963 -11.163 2.149 1.00 0.00 O ATOM 0 H GLY A 785 16.265 -10.755 4.011 1.00 0.00 H new ATOM 0 HA2 GLY A 785 17.407 -12.666 4.417 1.00 0.00 H new ATOM 0 HA3 GLY A 785 16.899 -13.318 2.871 1.00 0.00 H new ATOM 530 N PRO A 786 19.636 -13.122 3.034 1.00 0.00 N ATOM 531 CA PRO A 786 21.018 -13.015 2.556 1.00 0.00 C ATOM 532 C PRO A 786 21.093 -12.660 1.074 1.00 0.00 C ATOM 533 O PRO A 786 21.812 -11.742 0.682 1.00 0.00 O ATOM 534 CB PRO A 786 21.588 -14.414 2.800 1.00 0.00 C ATOM 535 CG PRO A 786 20.773 -14.965 3.919 1.00 0.00 C ATOM 536 CD PRO A 786 19.405 -14.363 3.793 1.00 0.00 C ATOM 0 HA PRO A 786 21.565 -12.222 3.066 1.00 0.00 H new ATOM 0 HB2 PRO A 786 21.507 -15.035 1.908 1.00 0.00 H new ATOM 0 HB3 PRO A 786 22.645 -14.371 3.064 1.00 0.00 H new ATOM 0 HG2 PRO A 786 20.724 -16.052 3.863 1.00 0.00 H new ATOM 0 HG3 PRO A 786 21.219 -14.715 4.882 1.00 0.00 H new ATOM 0 HD2 PRO A 786 18.721 -15.031 3.269 1.00 0.00 H new ATOM 0 HD3 PRO A 786 18.966 -14.159 4.770 1.00 0.00 H new ATOM 544 N SER A 787 20.345 -13.395 0.256 1.00 0.00 N ATOM 545 CA SER A 787 20.330 -13.160 -1.183 1.00 0.00 C ATOM 546 C SER A 787 19.199 -12.210 -1.566 1.00 0.00 C ATOM 547 O SER A 787 18.040 -12.613 -1.662 1.00 0.00 O ATOM 548 CB SER A 787 20.176 -14.483 -1.935 1.00 0.00 C ATOM 549 OG SER A 787 18.916 -15.075 -1.674 1.00 0.00 O ATOM 0 H SER A 787 19.742 -14.157 0.565 1.00 0.00 H new ATOM 0 HA SER A 787 21.278 -12.700 -1.461 1.00 0.00 H new ATOM 0 HB2 SER A 787 20.285 -14.311 -3.006 1.00 0.00 H new ATOM 0 HB3 SER A 787 20.971 -15.168 -1.639 1.00 0.00 H new ATOM 0 HG SER A 787 18.266 -14.376 -1.450 1.00 0.00 H new ATOM 555 N SER A 788 19.546 -10.945 -1.783 1.00 0.00 N ATOM 556 CA SER A 788 18.561 -9.935 -2.153 1.00 0.00 C ATOM 557 C SER A 788 18.249 -10.001 -3.645 1.00 0.00 C ATOM 558 O SER A 788 18.984 -10.613 -4.418 1.00 0.00 O ATOM 559 CB SER A 788 19.069 -8.539 -1.788 1.00 0.00 C ATOM 560 OG SER A 788 20.470 -8.439 -1.981 1.00 0.00 O ATOM 0 H SER A 788 20.501 -10.595 -1.709 1.00 0.00 H new ATOM 0 HA SER A 788 17.644 -10.137 -1.599 1.00 0.00 H new ATOM 0 HB2 SER A 788 18.561 -7.793 -2.398 1.00 0.00 H new ATOM 0 HB3 SER A 788 18.825 -8.320 -0.748 1.00 0.00 H new ATOM 0 HG SER A 788 20.770 -7.537 -1.742 1.00 0.00 H new ATOM 566 N GLY A 789 17.150 -9.365 -4.042 1.00 0.00 N ATOM 567 CA GLY A 789 16.758 -9.363 -5.439 1.00 0.00 C ATOM 568 C GLY A 789 17.005 -8.025 -6.108 1.00 0.00 C ATOM 569 O GLY A 789 16.954 -7.951 -7.335 1.00 0.00 O ATOM 0 H GLY A 789 16.525 -8.852 -3.421 1.00 0.00 H new ATOM 0 HA2 GLY A 789 17.310 -10.139 -5.969 1.00 0.00 H new ATOM 0 HA3 GLY A 789 15.700 -9.615 -5.517 1.00 0.00 H new TER 573 GLY A 789 HETATM 574 ZN ZN A 201 4.656 -1.634 2.142 1.00 0.00 ZN