USER MOD reduce.3.24.130724 H: found=0, std=0, add=764, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 766 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 Set 1.1: A 739 SER OG : rot -45:sc= -0.448 USER MOD Set 1.2: A 782 THR OG1 : rot 116:sc= -1.04 USER MOD Set 2.1: A 722 SER OG : rot 170:sc= -0.901! USER MOD Set 2.2: A 810 GLN : amide:sc= 0.236 K(o=-0.66,f=-1.9) USER MOD Single : A 720 LYS NZ :NH3+ 170:sc= -0.0239 (180deg=-0.137) USER MOD Single : A 724 SER OG : rot 31:sc= 1.25 USER MOD Single : A 726 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 728 HIS : no HD1:sc= 0 X(o=0,f=-0.0026) USER MOD Single : A 729 HIS : no HD1:sc= -0.51 K(o=-0.51,f=0.021) USER MOD Single : A 732 LYS NZ :NH3+ -167:sc=-0.00938 (180deg=-0.178) USER MOD Single : A 734 CYS SG : rot 180:sc= 0.0159 USER MOD Single : A 738 HIS : no HD1:sc= -0.0768 X(o=-0.077,f=-0.065) USER MOD Single : A 740 SER OG : rot 180:sc= 0 USER MOD Single : A 746 LYS NZ :NH3+ -166:sc= -0.0204 (180deg=-0.3) USER MOD Single : A 748 GLN : amide:sc= -0.536 K(o=-0.54,f=0) USER MOD Single : A 752 THR OG1 : rot 180:sc= 0 USER MOD Single : A 754 THR OG1 : rot 180:sc= 0 USER MOD Single : A 755 TYR OH : rot -39:sc= 0.132 USER MOD Single : A 760 THR OG1 : rot -16:sc= 0.183 USER MOD Single : A 766 LYS NZ :NH3+ 160:sc= 0.806 (180deg=0.524) USER MOD Single : A 767 THR OG1 : rot -41:sc= 1.29 USER MOD Single : A 771 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 774 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 775 THR OG1 : rot 180:sc= 0 USER MOD Single : A 776 ASN : amide:sc= -0.444! X(o=-0.44!,f=-0.59) USER MOD Single : A 778 TYR OH : rot 180:sc= 0 USER MOD Single : A 781 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 786 THR OG1 : rot 180:sc= 0 USER MOD Single : A 787 THR OG1 : rot 180:sc= -0.3 USER MOD Single : A 791 TYR OH : rot 180:sc= 0 USER MOD Single : A 794 SER OG : rot 180:sc= -0.0771 USER MOD Single : A 797 SER OG : rot 15:sc= 1.16 USER MOD Single : A 799 LYS NZ :NH3+ 166:sc= -0.162 (180deg=-0.365) USER MOD Single : A 801 SER OG : rot 180:sc= 0 USER MOD Single : A 802 THR OG1 : rot -87:sc= 1.24 USER MOD Single : A 804 CYS SG : rot 180:sc= 0 USER MOD Single : A 809 SER OG : rot 180:sc= 0 USER MOD Single : A 814 LYS NZ :NH3+ 177:sc= -0.376 (180deg=-0.692) USER MOD Single : A 816 GLN : amide:sc= -5.03! C(o=-5!,f=-4.9!) USER MOD ----------------------------------------------------------------- ATOM 41 N LYS A 720 -16.984 1.869 -5.923 1.00 0.00 N ATOM 42 CA LYS A 720 -15.819 1.059 -6.207 1.00 0.00 C ATOM 43 C LYS A 720 -14.701 1.421 -5.247 1.00 0.00 C ATOM 44 O LYS A 720 -14.130 2.509 -5.327 1.00 0.00 O ATOM 45 CB LYS A 720 -15.350 1.235 -7.646 1.00 0.00 C ATOM 46 CG LYS A 720 -16.340 0.732 -8.684 1.00 0.00 C ATOM 47 CD LYS A 720 -15.777 0.831 -10.096 1.00 0.00 C ATOM 48 CE LYS A 720 -14.529 -0.027 -10.275 1.00 0.00 C ATOM 49 NZ LYS A 720 -14.798 -1.470 -10.036 1.00 0.00 N ATOM 0 HA LYS A 720 -16.093 0.012 -6.075 1.00 0.00 H new ATOM 0 HB2 LYS A 720 -15.155 2.292 -7.827 1.00 0.00 H new ATOM 0 HB3 LYS A 720 -14.404 0.709 -7.776 1.00 0.00 H new ATOM 0 HG2 LYS A 720 -16.599 -0.304 -8.468 1.00 0.00 H new ATOM 0 HG3 LYS A 720 -17.261 1.311 -8.618 1.00 0.00 H new ATOM 0 HD2 LYS A 720 -16.537 0.519 -10.812 1.00 0.00 H new ATOM 0 HD3 LYS A 720 -15.537 1.871 -10.319 1.00 0.00 H new ATOM 0 HE2 LYS A 720 -14.141 0.106 -11.285 1.00 0.00 H new ATOM 0 HE3 LYS A 720 -13.754 0.315 -9.589 1.00 0.00 H new ATOM 0 HZ1 LYS A 720 -13.973 -2.030 -10.331 1.00 0.00 H new ATOM 0 HZ2 LYS A 720 -14.979 -1.626 -9.024 1.00 0.00 H new ATOM 0 HZ3 LYS A 720 -15.631 -1.764 -10.586 1.00 0.00 H new ATOM 63 N PRO A 721 -14.395 0.524 -4.310 1.00 0.00 N ATOM 64 CA PRO A 721 -13.382 0.757 -3.301 1.00 0.00 C ATOM 65 C PRO A 721 -11.996 0.347 -3.783 1.00 0.00 C ATOM 66 O PRO A 721 -11.857 -0.570 -4.593 1.00 0.00 O ATOM 67 CB PRO A 721 -13.858 -0.114 -2.142 1.00 0.00 C ATOM 68 CG PRO A 721 -14.666 -1.216 -2.760 1.00 0.00 C ATOM 69 CD PRO A 721 -15.006 -0.805 -4.170 1.00 0.00 C ATOM 0 HA PRO A 721 -13.275 1.809 -3.035 1.00 0.00 H new ATOM 0 HB2 PRO A 721 -13.013 -0.516 -1.583 1.00 0.00 H new ATOM 0 HB3 PRO A 721 -14.459 0.464 -1.440 1.00 0.00 H new ATOM 0 HG2 PRO A 721 -14.102 -2.149 -2.760 1.00 0.00 H new ATOM 0 HG3 PRO A 721 -15.575 -1.392 -2.184 1.00 0.00 H new ATOM 0 HD2 PRO A 721 -14.603 -1.508 -4.899 1.00 0.00 H new ATOM 0 HD3 PRO A 721 -16.084 -0.767 -4.326 1.00 0.00 H new ATOM 77 N SER A 722 -10.976 1.028 -3.277 1.00 0.00 N ATOM 78 CA SER A 722 -9.619 0.845 -3.758 1.00 0.00 C ATOM 79 C SER A 722 -8.671 1.705 -2.925 1.00 0.00 C ATOM 80 O SER A 722 -8.930 1.956 -1.750 1.00 0.00 O ATOM 81 CB SER A 722 -9.551 1.236 -5.242 1.00 0.00 C ATOM 82 OG SER A 722 -8.311 0.873 -5.828 1.00 0.00 O ATOM 0 H SER A 722 -11.067 1.715 -2.529 1.00 0.00 H new ATOM 0 HA SER A 722 -9.320 -0.199 -3.659 1.00 0.00 H new ATOM 0 HB2 SER A 722 -10.364 0.751 -5.783 1.00 0.00 H new ATOM 0 HB3 SER A 722 -9.699 2.311 -5.341 1.00 0.00 H new ATOM 0 HG SER A 722 -8.362 0.988 -6.800 1.00 0.00 H new ATOM 88 N ALA A 723 -7.582 2.151 -3.523 1.00 0.00 N ATOM 89 CA ALA A 723 -6.625 2.995 -2.833 1.00 0.00 C ATOM 90 C ALA A 723 -5.866 3.862 -3.828 1.00 0.00 C ATOM 91 O ALA A 723 -5.572 3.424 -4.932 1.00 0.00 O ATOM 92 CB ALA A 723 -5.664 2.135 -2.031 1.00 0.00 C ATOM 0 H ALA A 723 -7.338 1.941 -4.491 1.00 0.00 H new ATOM 0 HA ALA A 723 -7.161 3.653 -2.149 1.00 0.00 H new ATOM 0 HB1 ALA A 723 -4.948 2.774 -1.515 1.00 0.00 H new ATOM 0 HB2 ALA A 723 -6.222 1.551 -1.299 1.00 0.00 H new ATOM 0 HB3 ALA A 723 -5.131 1.461 -2.702 1.00 0.00 H new ATOM 98 N SER A 724 -5.561 5.092 -3.453 1.00 0.00 N ATOM 99 CA SER A 724 -4.807 5.967 -4.330 1.00 0.00 C ATOM 100 C SER A 724 -3.715 6.653 -3.541 1.00 0.00 C ATOM 101 O SER A 724 -3.978 7.536 -2.719 1.00 0.00 O ATOM 102 CB SER A 724 -5.726 6.976 -5.024 1.00 0.00 C ATOM 103 OG SER A 724 -6.699 7.499 -4.135 1.00 0.00 O ATOM 0 H SER A 724 -5.821 5.503 -2.557 1.00 0.00 H new ATOM 0 HA SER A 724 -4.342 5.372 -5.116 1.00 0.00 H new ATOM 0 HB2 SER A 724 -5.129 7.792 -5.430 1.00 0.00 H new ATOM 0 HB3 SER A 724 -6.224 6.495 -5.866 1.00 0.00 H new ATOM 0 HG SER A 724 -6.333 7.523 -3.226 1.00 0.00 H new ATOM 109 N LEU A 725 -2.492 6.198 -3.752 1.00 0.00 N ATOM 110 CA LEU A 725 -1.371 6.662 -2.983 1.00 0.00 C ATOM 111 C LEU A 725 -1.088 8.132 -3.233 1.00 0.00 C ATOM 112 O LEU A 725 -1.314 8.657 -4.321 1.00 0.00 O ATOM 113 CB LEU A 725 -0.150 5.829 -3.310 1.00 0.00 C ATOM 114 CG LEU A 725 -0.403 4.323 -3.410 1.00 0.00 C ATOM 115 CD1 LEU A 725 0.893 3.608 -3.646 1.00 0.00 C ATOM 116 CD2 LEU A 725 -1.063 3.791 -2.157 1.00 0.00 C ATOM 0 H LEU A 725 -2.258 5.501 -4.459 1.00 0.00 H new ATOM 0 HA LEU A 725 -1.616 6.552 -1.927 1.00 0.00 H new ATOM 0 HB2 LEU A 725 0.265 6.176 -4.256 1.00 0.00 H new ATOM 0 HB3 LEU A 725 0.607 6.005 -2.546 1.00 0.00 H new ATOM 0 HG LEU A 725 -1.078 4.146 -4.247 1.00 0.00 H new ATOM 0 HD11 LEU A 725 0.709 2.536 -3.717 1.00 0.00 H new ATOM 0 HD12 LEU A 725 1.340 3.962 -4.575 1.00 0.00 H new ATOM 0 HD13 LEU A 725 1.574 3.806 -2.818 1.00 0.00 H new ATOM 0 HD21 LEU A 725 -1.229 2.719 -2.260 1.00 0.00 H new ATOM 0 HD22 LEU A 725 -0.418 3.977 -1.299 1.00 0.00 H new ATOM 0 HD23 LEU A 725 -2.019 4.293 -2.008 1.00 0.00 H new ATOM 128 N LYS A 726 -0.582 8.771 -2.204 1.00 0.00 N ATOM 129 CA LYS A 726 -0.300 10.195 -2.222 1.00 0.00 C ATOM 130 C LYS A 726 1.205 10.412 -2.328 1.00 0.00 C ATOM 131 O LYS A 726 1.693 11.542 -2.348 1.00 0.00 O ATOM 132 CB LYS A 726 -0.842 10.836 -0.953 1.00 0.00 C ATOM 133 CG LYS A 726 -2.244 10.364 -0.613 1.00 0.00 C ATOM 134 CD LYS A 726 -2.866 11.194 0.491 1.00 0.00 C ATOM 135 CE LYS A 726 -3.206 12.586 -0.007 1.00 0.00 C ATOM 136 NZ LYS A 726 -3.664 13.474 1.092 1.00 0.00 N ATOM 0 H LYS A 726 -0.351 8.316 -1.321 1.00 0.00 H new ATOM 0 HA LYS A 726 -0.784 10.657 -3.082 1.00 0.00 H new ATOM 0 HB2 LYS A 726 -0.175 10.608 -0.122 1.00 0.00 H new ATOM 0 HB3 LYS A 726 -0.846 11.920 -1.071 1.00 0.00 H new ATOM 0 HG2 LYS A 726 -2.871 10.416 -1.503 1.00 0.00 H new ATOM 0 HG3 LYS A 726 -2.211 9.318 -0.307 1.00 0.00 H new ATOM 0 HD2 LYS A 726 -3.768 10.703 0.857 1.00 0.00 H new ATOM 0 HD3 LYS A 726 -2.177 11.262 1.333 1.00 0.00 H new ATOM 0 HE2 LYS A 726 -2.330 13.024 -0.486 1.00 0.00 H new ATOM 0 HE3 LYS A 726 -3.984 12.519 -0.767 1.00 0.00 H new ATOM 0 HZ1 LYS A 726 -3.886 14.415 0.708 1.00 0.00 H new ATOM 0 HZ2 LYS A 726 -4.515 13.070 1.533 1.00 0.00 H new ATOM 0 HZ3 LYS A 726 -2.912 13.559 1.805 1.00 0.00 H new ATOM 150 N LEU A 727 1.926 9.300 -2.371 1.00 0.00 N ATOM 151 CA LEU A 727 3.376 9.310 -2.489 1.00 0.00 C ATOM 152 C LEU A 727 3.753 9.500 -3.957 1.00 0.00 C ATOM 153 O LEU A 727 3.309 8.743 -4.820 1.00 0.00 O ATOM 154 CB LEU A 727 3.931 7.985 -1.938 1.00 0.00 C ATOM 155 CG LEU A 727 5.436 7.934 -1.648 1.00 0.00 C ATOM 156 CD1 LEU A 727 6.213 7.651 -2.918 1.00 0.00 C ATOM 157 CD2 LEU A 727 5.911 9.230 -1.006 1.00 0.00 C ATOM 0 H LEU A 727 1.521 8.365 -2.325 1.00 0.00 H new ATOM 0 HA LEU A 727 3.805 10.130 -1.913 1.00 0.00 H new ATOM 0 HB2 LEU A 727 3.399 7.751 -1.016 1.00 0.00 H new ATOM 0 HB3 LEU A 727 3.695 7.195 -2.651 1.00 0.00 H new ATOM 0 HG LEU A 727 5.618 7.122 -0.944 1.00 0.00 H new ATOM 0 HD11 LEU A 727 7.279 7.618 -2.693 1.00 0.00 H new ATOM 0 HD12 LEU A 727 5.900 6.692 -3.330 1.00 0.00 H new ATOM 0 HD13 LEU A 727 6.020 8.439 -3.646 1.00 0.00 H new ATOM 0 HD21 LEU A 727 6.982 9.168 -0.810 1.00 0.00 H new ATOM 0 HD22 LEU A 727 5.713 10.064 -1.680 1.00 0.00 H new ATOM 0 HD23 LEU A 727 5.379 9.387 -0.068 1.00 0.00 H new ATOM 169 N HIS A 728 4.559 10.518 -4.235 1.00 0.00 N ATOM 170 CA HIS A 728 4.870 10.890 -5.612 1.00 0.00 C ATOM 171 C HIS A 728 6.046 10.092 -6.177 1.00 0.00 C ATOM 172 O HIS A 728 5.842 9.072 -6.831 1.00 0.00 O ATOM 173 CB HIS A 728 5.137 12.393 -5.722 1.00 0.00 C ATOM 174 CG HIS A 728 3.925 13.233 -5.456 1.00 0.00 C ATOM 175 ND1 HIS A 728 3.785 14.023 -4.334 1.00 0.00 N ATOM 176 CD2 HIS A 728 2.793 13.407 -6.177 1.00 0.00 C ATOM 177 CE1 HIS A 728 2.620 14.642 -4.378 1.00 0.00 C ATOM 178 NE2 HIS A 728 2.001 14.286 -5.486 1.00 0.00 N ATOM 0 H HIS A 728 5.008 11.100 -3.528 1.00 0.00 H new ATOM 0 HA HIS A 728 3.995 10.644 -6.213 1.00 0.00 H new ATOM 0 HB2 HIS A 728 5.922 12.668 -5.018 1.00 0.00 H new ATOM 0 HB3 HIS A 728 5.512 12.616 -6.721 1.00 0.00 H new ATOM 0 HD2 HIS A 728 2.558 12.940 -7.122 1.00 0.00 H new ATOM 0 HE1 HIS A 728 2.239 15.324 -3.633 1.00 0.00 H new ATOM 0 HE2 HIS A 728 1.081 14.612 -5.781 1.00 0.00 H new ATOM 187 N HIS A 729 7.274 10.541 -5.929 1.00 0.00 N ATOM 188 CA HIS A 729 8.444 9.870 -6.504 1.00 0.00 C ATOM 189 C HIS A 729 8.999 8.820 -5.554 1.00 0.00 C ATOM 190 O HIS A 729 8.543 8.710 -4.419 1.00 0.00 O ATOM 191 CB HIS A 729 9.550 10.858 -6.890 1.00 0.00 C ATOM 192 CG HIS A 729 10.076 11.660 -5.747 1.00 0.00 C ATOM 193 ND1 HIS A 729 11.303 11.440 -5.162 1.00 0.00 N ATOM 194 CD2 HIS A 729 9.526 12.693 -5.089 1.00 0.00 C ATOM 195 CE1 HIS A 729 11.483 12.312 -4.190 1.00 0.00 C ATOM 196 NE2 HIS A 729 10.419 13.087 -4.125 1.00 0.00 N ATOM 0 H HIS A 729 7.486 11.350 -5.346 1.00 0.00 H new ATOM 0 HA HIS A 729 8.100 9.380 -7.415 1.00 0.00 H new ATOM 0 HB2 HIS A 729 10.374 10.306 -7.342 1.00 0.00 H new ATOM 0 HB3 HIS A 729 9.166 11.538 -7.651 1.00 0.00 H new ATOM 0 HD2 HIS A 729 8.559 13.133 -5.283 1.00 0.00 H new ATOM 0 HE1 HIS A 729 12.354 12.380 -3.555 1.00 0.00 H new ATOM 0 HE2 HIS A 729 10.282 13.854 -3.466 1.00 0.00 H new ATOM 205 N ASP A 730 9.999 8.075 -6.020 1.00 0.00 N ATOM 206 CA ASP A 730 10.590 6.989 -5.240 1.00 0.00 C ATOM 207 C ASP A 730 11.030 7.457 -3.854 1.00 0.00 C ATOM 208 O ASP A 730 11.465 8.597 -3.663 1.00 0.00 O ATOM 209 CB ASP A 730 11.778 6.362 -5.983 1.00 0.00 C ATOM 210 CG ASP A 730 12.922 7.330 -6.225 1.00 0.00 C ATOM 211 OD1 ASP A 730 13.769 7.499 -5.328 1.00 0.00 O ATOM 212 OD2 ASP A 730 12.994 7.908 -7.327 1.00 0.00 O ATOM 0 H ASP A 730 10.420 8.205 -6.940 1.00 0.00 H new ATOM 0 HA ASP A 730 9.815 6.234 -5.110 1.00 0.00 H new ATOM 0 HB2 ASP A 730 12.147 5.512 -5.409 1.00 0.00 H new ATOM 0 HB3 ASP A 730 11.433 5.974 -6.941 1.00 0.00 H new ATOM 217 N LEU A 731 10.871 6.569 -2.889 1.00 0.00 N ATOM 218 CA LEU A 731 11.238 6.844 -1.512 1.00 0.00 C ATOM 219 C LEU A 731 12.718 6.603 -1.278 1.00 0.00 C ATOM 220 O LEU A 731 13.197 5.498 -1.458 1.00 0.00 O ATOM 221 CB LEU A 731 10.404 5.974 -0.576 1.00 0.00 C ATOM 222 CG LEU A 731 9.050 6.562 -0.218 1.00 0.00 C ATOM 223 CD1 LEU A 731 8.260 5.607 0.660 1.00 0.00 C ATOM 224 CD2 LEU A 731 9.221 7.903 0.477 1.00 0.00 C ATOM 0 H LEU A 731 10.484 5.637 -3.038 1.00 0.00 H new ATOM 0 HA LEU A 731 11.037 7.895 -1.305 1.00 0.00 H new ATOM 0 HB2 LEU A 731 10.253 5.000 -1.042 1.00 0.00 H new ATOM 0 HB3 LEU A 731 10.967 5.804 0.341 1.00 0.00 H new ATOM 0 HG LEU A 731 8.491 6.716 -1.141 1.00 0.00 H new ATOM 0 HD11 LEU A 731 7.294 6.050 0.903 1.00 0.00 H new ATOM 0 HD12 LEU A 731 8.105 4.668 0.129 1.00 0.00 H new ATOM 0 HD13 LEU A 731 8.813 5.416 1.580 1.00 0.00 H new ATOM 0 HD21 LEU A 731 8.242 8.311 0.727 1.00 0.00 H new ATOM 0 HD22 LEU A 731 9.802 7.768 1.390 1.00 0.00 H new ATOM 0 HD23 LEU A 731 9.743 8.593 -0.186 1.00 0.00 H new ATOM 236 N LYS A 732 13.430 7.648 -0.890 1.00 0.00 N ATOM 237 CA LYS A 732 14.863 7.548 -0.610 1.00 0.00 C ATOM 238 C LYS A 732 15.095 7.085 0.826 1.00 0.00 C ATOM 239 O LYS A 732 14.695 7.767 1.772 1.00 0.00 O ATOM 240 CB LYS A 732 15.545 8.898 -0.841 1.00 0.00 C ATOM 241 CG LYS A 732 15.436 9.402 -2.272 1.00 0.00 C ATOM 242 CD LYS A 732 16.163 8.494 -3.254 1.00 0.00 C ATOM 243 CE LYS A 732 17.672 8.536 -3.061 1.00 0.00 C ATOM 244 NZ LYS A 732 18.241 9.872 -3.378 1.00 0.00 N ATOM 0 H LYS A 732 13.042 8.582 -0.760 1.00 0.00 H new ATOM 0 HA LYS A 732 15.296 6.813 -1.289 1.00 0.00 H new ATOM 0 HB2 LYS A 732 15.105 9.637 -0.171 1.00 0.00 H new ATOM 0 HB3 LYS A 732 16.598 8.813 -0.574 1.00 0.00 H new ATOM 0 HG2 LYS A 732 14.385 9.472 -2.553 1.00 0.00 H new ATOM 0 HG3 LYS A 732 15.850 10.408 -2.334 1.00 0.00 H new ATOM 0 HD2 LYS A 732 15.810 7.470 -3.130 1.00 0.00 H new ATOM 0 HD3 LYS A 732 15.920 8.794 -4.273 1.00 0.00 H new ATOM 0 HE2 LYS A 732 17.912 8.276 -2.030 1.00 0.00 H new ATOM 0 HE3 LYS A 732 18.139 7.784 -3.697 1.00 0.00 H new ATOM 0 HZ1 LYS A 732 19.276 9.801 -3.448 1.00 0.00 H new ATOM 0 HZ2 LYS A 732 17.855 10.208 -4.283 1.00 0.00 H new ATOM 0 HZ3 LYS A 732 17.990 10.544 -2.625 1.00 0.00 H new ATOM 258 N LEU A 733 15.729 5.927 0.984 1.00 0.00 N ATOM 259 CA LEU A 733 15.896 5.314 2.301 1.00 0.00 C ATOM 260 C LEU A 733 17.262 4.640 2.436 1.00 0.00 C ATOM 261 O LEU A 733 17.954 4.404 1.441 1.00 0.00 O ATOM 262 CB LEU A 733 14.790 4.289 2.518 1.00 0.00 C ATOM 263 CG LEU A 733 13.373 4.826 2.321 1.00 0.00 C ATOM 264 CD1 LEU A 733 12.479 3.742 1.771 1.00 0.00 C ATOM 265 CD2 LEU A 733 12.808 5.360 3.627 1.00 0.00 C ATOM 0 H LEU A 733 16.136 5.393 0.217 1.00 0.00 H new ATOM 0 HA LEU A 733 15.836 6.097 3.057 1.00 0.00 H new ATOM 0 HB2 LEU A 733 14.946 3.456 1.833 1.00 0.00 H new ATOM 0 HB3 LEU A 733 14.876 3.891 3.529 1.00 0.00 H new ATOM 0 HG LEU A 733 13.415 5.649 1.607 1.00 0.00 H new ATOM 0 HD11 LEU A 733 11.472 4.136 1.635 1.00 0.00 H new ATOM 0 HD12 LEU A 733 12.868 3.401 0.812 1.00 0.00 H new ATOM 0 HD13 LEU A 733 12.450 2.905 2.469 1.00 0.00 H new ATOM 0 HD21 LEU A 733 11.799 5.736 3.460 1.00 0.00 H new ATOM 0 HD22 LEU A 733 12.779 4.559 4.365 1.00 0.00 H new ATOM 0 HD23 LEU A 733 13.441 6.168 3.994 1.00 0.00 H new ATOM 277 N CYS A 734 17.641 4.334 3.675 1.00 0.00 N ATOM 278 CA CYS A 734 18.939 3.735 3.971 1.00 0.00 C ATOM 279 C CYS A 734 18.777 2.353 4.598 1.00 0.00 C ATOM 280 O CYS A 734 17.671 1.833 4.690 1.00 0.00 O ATOM 281 CB CYS A 734 19.737 4.658 4.897 1.00 0.00 C ATOM 282 SG CYS A 734 18.865 5.115 6.413 1.00 0.00 S ATOM 0 H CYS A 734 17.060 4.494 4.498 1.00 0.00 H new ATOM 0 HA CYS A 734 19.485 3.611 3.036 1.00 0.00 H new ATOM 0 HB2 CYS A 734 20.673 4.167 5.163 1.00 0.00 H new ATOM 0 HB3 CYS A 734 19.997 5.566 4.352 1.00 0.00 H new ATOM 0 HG CYS A 734 19.620 5.893 7.130 1.00 0.00 H new ATOM 288 N LEU A 735 19.887 1.762 5.020 1.00 0.00 N ATOM 289 CA LEU A 735 19.882 0.422 5.593 1.00 0.00 C ATOM 290 C LEU A 735 19.021 0.381 6.852 1.00 0.00 C ATOM 291 O LEU A 735 19.189 1.198 7.757 1.00 0.00 O ATOM 292 CB LEU A 735 21.302 0.012 5.944 1.00 0.00 C ATOM 293 CG LEU A 735 21.648 -1.478 5.815 1.00 0.00 C ATOM 294 CD1 LEU A 735 23.117 -1.709 6.114 1.00 0.00 C ATOM 295 CD2 LEU A 735 20.795 -2.325 6.735 1.00 0.00 C ATOM 0 H LEU A 735 20.810 2.194 4.976 1.00 0.00 H new ATOM 0 HA LEU A 735 19.468 -0.268 4.858 1.00 0.00 H new ATOM 0 HB2 LEU A 735 21.985 0.575 5.307 1.00 0.00 H new ATOM 0 HB3 LEU A 735 21.499 0.318 6.971 1.00 0.00 H new ATOM 0 HG LEU A 735 21.440 -1.777 4.788 1.00 0.00 H new ATOM 0 HD11 LEU A 735 23.345 -2.770 6.018 1.00 0.00 H new ATOM 0 HD12 LEU A 735 23.725 -1.142 5.409 1.00 0.00 H new ATOM 0 HD13 LEU A 735 23.338 -1.381 7.130 1.00 0.00 H new ATOM 0 HD21 LEU A 735 21.066 -3.374 6.619 1.00 0.00 H new ATOM 0 HD22 LEU A 735 20.961 -2.020 7.768 1.00 0.00 H new ATOM 0 HD23 LEU A 735 19.743 -2.191 6.482 1.00 0.00 H new ATOM 307 N GLY A 736 18.093 -0.560 6.899 1.00 0.00 N ATOM 308 CA GLY A 736 17.300 -0.749 8.099 1.00 0.00 C ATOM 309 C GLY A 736 16.200 0.277 8.218 1.00 0.00 C ATOM 310 O GLY A 736 15.637 0.486 9.295 1.00 0.00 O ATOM 0 H GLY A 736 17.873 -1.196 6.132 1.00 0.00 H new ATOM 0 HA2 GLY A 736 16.864 -1.748 8.092 1.00 0.00 H new ATOM 0 HA3 GLY A 736 17.947 -0.690 8.974 1.00 0.00 H new ATOM 314 N ASP A 737 15.915 0.933 7.109 1.00 0.00 N ATOM 315 CA ASP A 737 14.840 1.906 7.042 1.00 0.00 C ATOM 316 C ASP A 737 13.485 1.242 7.256 1.00 0.00 C ATOM 317 O ASP A 737 13.359 0.019 7.224 1.00 0.00 O ATOM 318 CB ASP A 737 14.831 2.576 5.667 1.00 0.00 C ATOM 319 CG ASP A 737 14.078 1.750 4.642 1.00 0.00 C ATOM 320 OD1 ASP A 737 14.656 0.770 4.140 1.00 0.00 O ATOM 321 OD2 ASP A 737 12.905 2.083 4.351 1.00 0.00 O ATOM 0 H ASP A 737 16.420 0.807 6.232 1.00 0.00 H new ATOM 0 HA ASP A 737 15.010 2.642 7.827 1.00 0.00 H new ATOM 0 HB2 ASP A 737 14.373 3.562 5.746 1.00 0.00 H new ATOM 0 HB3 ASP A 737 15.856 2.727 5.330 1.00 0.00 H new ATOM 326 N HIS A 738 12.490 2.064 7.504 1.00 0.00 N ATOM 327 CA HIS A 738 11.109 1.662 7.358 1.00 0.00 C ATOM 328 C HIS A 738 10.404 2.819 6.687 1.00 0.00 C ATOM 329 O HIS A 738 10.543 3.971 7.112 1.00 0.00 O ATOM 330 CB HIS A 738 10.460 1.285 8.703 1.00 0.00 C ATOM 331 CG HIS A 738 10.002 2.441 9.548 1.00 0.00 C ATOM 332 ND1 HIS A 738 10.803 3.048 10.491 1.00 0.00 N ATOM 333 CD2 HIS A 738 8.808 3.091 9.597 1.00 0.00 C ATOM 334 CE1 HIS A 738 10.129 4.015 11.083 1.00 0.00 C ATOM 335 NE2 HIS A 738 8.918 4.063 10.560 1.00 0.00 N ATOM 0 H HIS A 738 12.615 3.028 7.812 1.00 0.00 H new ATOM 0 HA HIS A 738 11.032 0.756 6.756 1.00 0.00 H new ATOM 0 HB2 HIS A 738 9.603 0.641 8.505 1.00 0.00 H new ATOM 0 HB3 HIS A 738 11.175 0.697 9.279 1.00 0.00 H new ATOM 0 HD2 HIS A 738 7.938 2.882 8.992 1.00 0.00 H new ATOM 0 HE1 HIS A 738 10.505 4.659 11.864 1.00 0.00 H new ATOM 0 HE2 HIS A 738 8.183 4.717 10.828 1.00 0.00 H new ATOM 344 N SER A 739 9.681 2.544 5.634 1.00 0.00 N ATOM 345 CA SER A 739 9.240 3.616 4.768 1.00 0.00 C ATOM 346 C SER A 739 7.815 4.032 5.092 1.00 0.00 C ATOM 347 O SER A 739 7.135 3.402 5.903 1.00 0.00 O ATOM 348 CB SER A 739 9.373 3.191 3.312 1.00 0.00 C ATOM 349 OG SER A 739 10.239 2.072 3.195 1.00 0.00 O ATOM 0 H SER A 739 9.387 1.608 5.355 1.00 0.00 H new ATOM 0 HA SER A 739 9.876 4.485 4.936 1.00 0.00 H new ATOM 0 HB2 SER A 739 8.391 2.942 2.909 1.00 0.00 H new ATOM 0 HB3 SER A 739 9.759 4.020 2.719 1.00 0.00 H new ATOM 0 HG SER A 739 11.041 2.221 3.737 1.00 0.00 H new ATOM 355 N SER A 740 7.378 5.111 4.476 1.00 0.00 N ATOM 356 CA SER A 740 6.057 5.647 4.719 1.00 0.00 C ATOM 357 C SER A 740 5.461 6.177 3.426 1.00 0.00 C ATOM 358 O SER A 740 5.888 7.204 2.897 1.00 0.00 O ATOM 359 CB SER A 740 6.122 6.744 5.783 1.00 0.00 C ATOM 360 OG SER A 740 6.667 6.235 6.991 1.00 0.00 O ATOM 0 H SER A 740 7.926 5.638 3.796 1.00 0.00 H new ATOM 0 HA SER A 740 5.412 4.851 5.090 1.00 0.00 H new ATOM 0 HB2 SER A 740 6.732 7.572 5.423 1.00 0.00 H new ATOM 0 HB3 SER A 740 5.123 7.140 5.967 1.00 0.00 H new ATOM 0 HG SER A 740 6.703 6.950 7.660 1.00 0.00 H new ATOM 366 N VAL A 741 4.490 5.452 2.916 1.00 0.00 N ATOM 367 CA VAL A 741 3.810 5.818 1.694 1.00 0.00 C ATOM 368 C VAL A 741 2.359 6.143 2.011 1.00 0.00 C ATOM 369 O VAL A 741 1.556 5.261 2.315 1.00 0.00 O ATOM 370 CB VAL A 741 3.922 4.700 0.629 1.00 0.00 C ATOM 371 CG1 VAL A 741 3.778 3.326 1.262 1.00 0.00 C ATOM 372 CG2 VAL A 741 2.892 4.885 -0.477 1.00 0.00 C ATOM 0 H VAL A 741 4.149 4.589 3.339 1.00 0.00 H new ATOM 0 HA VAL A 741 4.287 6.701 1.270 1.00 0.00 H new ATOM 0 HB VAL A 741 4.915 4.771 0.184 1.00 0.00 H new ATOM 0 HG11 VAL A 741 3.861 2.560 0.491 1.00 0.00 H new ATOM 0 HG12 VAL A 741 4.565 3.182 2.002 1.00 0.00 H new ATOM 0 HG13 VAL A 741 2.805 3.249 1.747 1.00 0.00 H new ATOM 0 HG21 VAL A 741 2.996 4.084 -1.209 1.00 0.00 H new ATOM 0 HG22 VAL A 741 1.890 4.857 -0.049 1.00 0.00 H new ATOM 0 HG23 VAL A 741 3.051 5.846 -0.966 1.00 0.00 H new ATOM 382 N PRO A 742 2.018 7.430 1.996 1.00 0.00 N ATOM 383 CA PRO A 742 0.688 7.882 2.354 1.00 0.00 C ATOM 384 C PRO A 742 -0.322 7.562 1.260 1.00 0.00 C ATOM 385 O PRO A 742 -0.030 7.742 0.084 1.00 0.00 O ATOM 386 CB PRO A 742 0.838 9.397 2.548 1.00 0.00 C ATOM 387 CG PRO A 742 2.294 9.701 2.356 1.00 0.00 C ATOM 388 CD PRO A 742 2.889 8.542 1.617 1.00 0.00 C ATOM 0 HA PRO A 742 0.312 7.386 3.249 1.00 0.00 H new ATOM 0 HB2 PRO A 742 0.228 9.944 1.829 1.00 0.00 H new ATOM 0 HB3 PRO A 742 0.505 9.697 3.542 1.00 0.00 H new ATOM 0 HG2 PRO A 742 2.424 10.625 1.793 1.00 0.00 H new ATOM 0 HG3 PRO A 742 2.789 9.841 3.317 1.00 0.00 H new ATOM 0 HD2 PRO A 742 2.888 8.707 0.540 1.00 0.00 H new ATOM 0 HD3 PRO A 742 3.923 8.363 1.911 1.00 0.00 H new ATOM 396 N VAL A 743 -1.491 7.054 1.634 1.00 0.00 N ATOM 397 CA VAL A 743 -2.521 6.742 0.652 1.00 0.00 C ATOM 398 C VAL A 743 -3.903 7.246 1.053 1.00 0.00 C ATOM 399 O VAL A 743 -4.431 6.905 2.107 1.00 0.00 O ATOM 400 CB VAL A 743 -2.605 5.237 0.357 1.00 0.00 C ATOM 401 CG1 VAL A 743 -2.600 4.427 1.626 1.00 0.00 C ATOM 402 CG2 VAL A 743 -3.823 4.922 -0.490 1.00 0.00 C ATOM 0 H VAL A 743 -1.747 6.851 2.600 1.00 0.00 H new ATOM 0 HA VAL A 743 -2.213 7.269 -0.251 1.00 0.00 H new ATOM 0 HB VAL A 743 -1.717 4.958 -0.211 1.00 0.00 H new ATOM 0 HG11 VAL A 743 -2.661 3.367 1.381 1.00 0.00 H new ATOM 0 HG12 VAL A 743 -1.680 4.620 2.177 1.00 0.00 H new ATOM 0 HG13 VAL A 743 -3.456 4.707 2.240 1.00 0.00 H new ATOM 0 HG21 VAL A 743 -3.862 3.851 -0.687 1.00 0.00 H new ATOM 0 HG22 VAL A 743 -4.725 5.227 0.042 1.00 0.00 H new ATOM 0 HG23 VAL A 743 -3.759 5.462 -1.435 1.00 0.00 H new ATOM 412 N ALA A 744 -4.485 8.060 0.195 1.00 0.00 N ATOM 413 CA ALA A 744 -5.884 8.405 0.309 1.00 0.00 C ATOM 414 C ALA A 744 -6.700 7.304 -0.329 1.00 0.00 C ATOM 415 O ALA A 744 -6.840 7.221 -1.546 1.00 0.00 O ATOM 416 CB ALA A 744 -6.176 9.756 -0.309 1.00 0.00 C ATOM 0 H ALA A 744 -4.005 8.496 -0.593 1.00 0.00 H new ATOM 0 HA ALA A 744 -6.156 8.491 1.361 1.00 0.00 H new ATOM 0 HB1 ALA A 744 -7.237 9.982 -0.205 1.00 0.00 H new ATOM 0 HB2 ALA A 744 -5.590 10.522 0.198 1.00 0.00 H new ATOM 0 HB3 ALA A 744 -5.911 9.737 -1.366 1.00 0.00 H new ATOM 422 N LEU A 745 -7.195 6.438 0.522 1.00 0.00 N ATOM 423 CA LEU A 745 -7.829 5.209 0.104 1.00 0.00 C ATOM 424 C LEU A 745 -9.240 5.455 -0.400 1.00 0.00 C ATOM 425 O LEU A 745 -9.872 6.455 -0.060 1.00 0.00 O ATOM 426 CB LEU A 745 -7.827 4.256 1.288 1.00 0.00 C ATOM 427 CG LEU A 745 -6.458 4.115 1.949 1.00 0.00 C ATOM 428 CD1 LEU A 745 -6.583 4.020 3.447 1.00 0.00 C ATOM 429 CD2 LEU A 745 -5.714 2.913 1.407 1.00 0.00 C ATOM 0 H LEU A 745 -7.169 6.567 1.534 1.00 0.00 H new ATOM 0 HA LEU A 745 -7.276 4.773 -0.728 1.00 0.00 H new ATOM 0 HB2 LEU A 745 -8.546 4.607 2.029 1.00 0.00 H new ATOM 0 HB3 LEU A 745 -8.165 3.274 0.956 1.00 0.00 H new ATOM 0 HG LEU A 745 -5.886 5.011 1.710 1.00 0.00 H new ATOM 0 HD11 LEU A 745 -5.592 3.920 3.889 1.00 0.00 H new ATOM 0 HD12 LEU A 745 -7.062 4.921 3.830 1.00 0.00 H new ATOM 0 HD13 LEU A 745 -7.186 3.150 3.707 1.00 0.00 H new ATOM 0 HD21 LEU A 745 -4.742 2.836 1.895 1.00 0.00 H new ATOM 0 HD22 LEU A 745 -6.291 2.009 1.603 1.00 0.00 H new ATOM 0 HD23 LEU A 745 -5.572 3.027 0.332 1.00 0.00 H new ATOM 441 N LYS A 746 -9.725 4.531 -1.205 1.00 0.00 N ATOM 442 CA LYS A 746 -11.026 4.664 -1.813 1.00 0.00 C ATOM 443 C LYS A 746 -11.974 3.623 -1.257 1.00 0.00 C ATOM 444 O LYS A 746 -11.558 2.558 -0.805 1.00 0.00 O ATOM 445 CB LYS A 746 -10.924 4.534 -3.319 1.00 0.00 C ATOM 446 CG LYS A 746 -12.173 4.990 -4.049 1.00 0.00 C ATOM 447 CD LYS A 746 -11.959 5.030 -5.547 1.00 0.00 C ATOM 448 CE LYS A 746 -10.974 6.116 -5.956 1.00 0.00 C ATOM 449 NZ LYS A 746 -11.431 7.476 -5.558 1.00 0.00 N ATOM 0 H LYS A 746 -9.230 3.674 -1.452 1.00 0.00 H new ATOM 0 HA LYS A 746 -11.418 5.654 -1.578 1.00 0.00 H new ATOM 0 HB2 LYS A 746 -10.073 5.118 -3.670 1.00 0.00 H new ATOM 0 HB3 LYS A 746 -10.723 3.493 -3.574 1.00 0.00 H new ATOM 0 HG2 LYS A 746 -12.998 4.316 -3.816 1.00 0.00 H new ATOM 0 HG3 LYS A 746 -12.461 5.980 -3.695 1.00 0.00 H new ATOM 0 HD2 LYS A 746 -11.592 4.061 -5.886 1.00 0.00 H new ATOM 0 HD3 LYS A 746 -12.914 5.201 -6.045 1.00 0.00 H new ATOM 0 HE2 LYS A 746 -10.005 5.914 -5.501 1.00 0.00 H new ATOM 0 HE3 LYS A 746 -10.831 6.085 -7.036 1.00 0.00 H new ATOM 0 HZ1 LYS A 746 -10.863 8.192 -6.054 1.00 0.00 H new ATOM 0 HZ2 LYS A 746 -12.433 7.593 -5.810 1.00 0.00 H new ATOM 0 HZ3 LYS A 746 -11.316 7.594 -4.531 1.00 0.00 H new ATOM 463 N GLY A 747 -13.240 3.932 -1.328 1.00 0.00 N ATOM 464 CA GLY A 747 -14.256 3.079 -0.749 1.00 0.00 C ATOM 465 C GLY A 747 -14.721 3.598 0.590 1.00 0.00 C ATOM 466 O GLY A 747 -13.929 3.736 1.517 1.00 0.00 O ATOM 0 H GLY A 747 -13.599 4.771 -1.782 1.00 0.00 H new ATOM 0 HA2 GLY A 747 -15.106 3.011 -1.429 1.00 0.00 H new ATOM 0 HA3 GLY A 747 -13.861 2.070 -0.631 1.00 0.00 H new ATOM 470 N GLN A 748 -16.004 3.887 0.697 1.00 0.00 N ATOM 471 CA GLN A 748 -16.534 4.509 1.904 1.00 0.00 C ATOM 472 C GLN A 748 -17.206 3.476 2.801 1.00 0.00 C ATOM 473 O GLN A 748 -18.306 3.007 2.505 1.00 0.00 O ATOM 474 CB GLN A 748 -17.552 5.602 1.558 1.00 0.00 C ATOM 475 CG GLN A 748 -17.130 6.556 0.444 1.00 0.00 C ATOM 476 CD GLN A 748 -15.860 7.326 0.751 1.00 0.00 C ATOM 477 OE1 GLN A 748 -15.899 8.395 1.363 1.00 0.00 O ATOM 478 NE2 GLN A 748 -14.733 6.812 0.290 1.00 0.00 N ATOM 0 H GLN A 748 -16.697 3.704 -0.029 1.00 0.00 H new ATOM 0 HA GLN A 748 -15.691 4.954 2.433 1.00 0.00 H new ATOM 0 HB2 GLN A 748 -18.489 5.125 1.270 1.00 0.00 H new ATOM 0 HB3 GLN A 748 -17.754 6.185 2.456 1.00 0.00 H new ATOM 0 HG2 GLN A 748 -16.987 5.987 -0.475 1.00 0.00 H new ATOM 0 HG3 GLN A 748 -17.938 7.264 0.258 1.00 0.00 H new ATOM 0 HE21 GLN A 748 -14.745 5.924 -0.212 1.00 0.00 H new ATOM 0 HE22 GLN A 748 -13.851 7.303 0.436 1.00 0.00 H new ATOM 487 N GLY A 749 -16.548 3.134 3.896 1.00 0.00 N ATOM 488 CA GLY A 749 -17.092 2.164 4.823 1.00 0.00 C ATOM 489 C GLY A 749 -16.045 1.182 5.277 1.00 0.00 C ATOM 490 O GLY A 749 -14.875 1.342 4.956 1.00 0.00 O ATOM 0 H GLY A 749 -15.639 3.514 4.162 1.00 0.00 H new ATOM 0 HA2 GLY A 749 -17.507 2.680 5.689 1.00 0.00 H new ATOM 0 HA3 GLY A 749 -17.913 1.627 4.348 1.00 0.00 H new ATOM 494 N PRO A 750 -16.433 0.163 6.048 1.00 0.00 N ATOM 495 CA PRO A 750 -15.508 -0.865 6.520 1.00 0.00 C ATOM 496 C PRO A 750 -15.007 -1.747 5.383 1.00 0.00 C ATOM 497 O PRO A 750 -15.656 -2.729 5.007 1.00 0.00 O ATOM 498 CB PRO A 750 -16.347 -1.684 7.508 1.00 0.00 C ATOM 499 CG PRO A 750 -17.546 -0.841 7.792 1.00 0.00 C ATOM 500 CD PRO A 750 -17.790 -0.058 6.544 1.00 0.00 C ATOM 0 HA PRO A 750 -14.612 -0.434 6.967 1.00 0.00 H new ATOM 0 HB2 PRO A 750 -16.633 -2.645 7.080 1.00 0.00 H new ATOM 0 HB3 PRO A 750 -15.788 -1.895 8.420 1.00 0.00 H new ATOM 0 HG2 PRO A 750 -18.409 -1.458 8.043 1.00 0.00 H new ATOM 0 HG3 PRO A 750 -17.369 -0.181 8.641 1.00 0.00 H new ATOM 0 HD2 PRO A 750 -18.400 -0.611 5.829 1.00 0.00 H new ATOM 0 HD3 PRO A 750 -18.307 0.880 6.746 1.00 0.00 H new ATOM 508 N PHE A 751 -13.856 -1.390 4.838 1.00 0.00 N ATOM 509 CA PHE A 751 -13.269 -2.136 3.738 1.00 0.00 C ATOM 510 C PHE A 751 -11.974 -2.818 4.158 1.00 0.00 C ATOM 511 O PHE A 751 -11.140 -2.224 4.838 1.00 0.00 O ATOM 512 CB PHE A 751 -13.025 -1.212 2.545 1.00 0.00 C ATOM 513 CG PHE A 751 -14.295 -0.823 1.843 1.00 0.00 C ATOM 514 CD1 PHE A 751 -14.935 0.375 2.117 1.00 0.00 C ATOM 515 CD2 PHE A 751 -14.860 -1.674 0.912 1.00 0.00 C ATOM 516 CE1 PHE A 751 -16.110 0.709 1.473 1.00 0.00 C ATOM 517 CE2 PHE A 751 -16.033 -1.341 0.266 1.00 0.00 C ATOM 518 CZ PHE A 751 -16.659 -0.149 0.547 1.00 0.00 C ATOM 0 H PHE A 751 -13.308 -0.585 5.141 1.00 0.00 H new ATOM 0 HA PHE A 751 -13.973 -2.915 3.445 1.00 0.00 H new ATOM 0 HB2 PHE A 751 -12.513 -0.312 2.886 1.00 0.00 H new ATOM 0 HB3 PHE A 751 -12.361 -1.707 1.837 1.00 0.00 H new ATOM 0 HD1 PHE A 751 -14.511 1.054 2.841 1.00 0.00 H new ATOM 0 HD2 PHE A 751 -14.376 -2.613 0.687 1.00 0.00 H new ATOM 0 HE1 PHE A 751 -16.599 1.646 1.696 1.00 0.00 H new ATOM 0 HE2 PHE A 751 -16.460 -2.017 -0.461 1.00 0.00 H new ATOM 0 HZ PHE A 751 -17.578 0.113 0.043 1.00 0.00 H new ATOM 528 N THR A 752 -11.806 -4.069 3.752 1.00 0.00 N ATOM 529 CA THR A 752 -10.600 -4.807 4.074 1.00 0.00 C ATOM 530 C THR A 752 -9.578 -4.598 2.977 1.00 0.00 C ATOM 531 O THR A 752 -9.659 -5.175 1.892 1.00 0.00 O ATOM 532 CB THR A 752 -10.881 -6.304 4.317 1.00 0.00 C ATOM 533 OG1 THR A 752 -11.722 -6.445 5.468 1.00 0.00 O ATOM 534 CG2 THR A 752 -9.591 -7.075 4.534 1.00 0.00 C ATOM 0 H THR A 752 -12.489 -4.590 3.201 1.00 0.00 H new ATOM 0 HA THR A 752 -10.198 -4.423 5.011 1.00 0.00 H new ATOM 0 HB THR A 752 -11.378 -6.711 3.436 1.00 0.00 H new ATOM 0 HG1 THR A 752 -11.905 -7.395 5.625 1.00 0.00 H new ATOM 0 HG21 THR A 752 -9.820 -8.127 4.703 1.00 0.00 H new ATOM 0 HG22 THR A 752 -8.957 -6.978 3.653 1.00 0.00 H new ATOM 0 HG23 THR A 752 -9.069 -6.673 5.402 1.00 0.00 H new ATOM 542 N LEU A 753 -8.631 -3.740 3.290 1.00 0.00 N ATOM 543 CA LEU A 753 -7.676 -3.231 2.331 1.00 0.00 C ATOM 544 C LEU A 753 -6.457 -4.137 2.262 1.00 0.00 C ATOM 545 O LEU A 753 -5.903 -4.512 3.287 1.00 0.00 O ATOM 546 CB LEU A 753 -7.269 -1.823 2.755 1.00 0.00 C ATOM 547 CG LEU A 753 -6.151 -1.188 1.933 1.00 0.00 C ATOM 548 CD1 LEU A 753 -6.671 -0.683 0.597 1.00 0.00 C ATOM 549 CD2 LEU A 753 -5.490 -0.081 2.723 1.00 0.00 C ATOM 0 H LEU A 753 -8.502 -3.371 4.232 1.00 0.00 H new ATOM 0 HA LEU A 753 -8.128 -3.203 1.339 1.00 0.00 H new ATOM 0 HB2 LEU A 753 -8.146 -1.178 2.702 1.00 0.00 H new ATOM 0 HB3 LEU A 753 -6.957 -1.852 3.799 1.00 0.00 H new ATOM 0 HG LEU A 753 -5.402 -1.950 1.719 1.00 0.00 H new ATOM 0 HD11 LEU A 753 -5.852 -0.236 0.033 1.00 0.00 H new ATOM 0 HD12 LEU A 753 -7.089 -1.516 0.031 1.00 0.00 H new ATOM 0 HD13 LEU A 753 -7.445 0.065 0.767 1.00 0.00 H new ATOM 0 HD21 LEU A 753 -4.694 0.365 2.127 1.00 0.00 H new ATOM 0 HD22 LEU A 753 -6.229 0.681 2.970 1.00 0.00 H new ATOM 0 HD23 LEU A 753 -5.070 -0.490 3.642 1.00 0.00 H new ATOM 561 N THR A 754 -6.045 -4.496 1.059 1.00 0.00 N ATOM 562 CA THR A 754 -4.896 -5.367 0.891 1.00 0.00 C ATOM 563 C THR A 754 -3.929 -4.808 -0.143 1.00 0.00 C ATOM 564 O THR A 754 -4.340 -4.413 -1.239 1.00 0.00 O ATOM 565 CB THR A 754 -5.326 -6.763 0.445 1.00 0.00 C ATOM 566 OG1 THR A 754 -6.599 -7.092 1.023 1.00 0.00 O ATOM 567 CG2 THR A 754 -4.294 -7.771 0.891 1.00 0.00 C ATOM 0 H THR A 754 -6.486 -4.200 0.188 1.00 0.00 H new ATOM 0 HA THR A 754 -4.400 -5.427 1.860 1.00 0.00 H new ATOM 0 HB THR A 754 -5.412 -6.782 -0.641 1.00 0.00 H new ATOM 0 HG1 THR A 754 -6.869 -7.988 0.731 1.00 0.00 H new ATOM 0 HG21 THR A 754 -4.599 -8.768 0.574 1.00 0.00 H new ATOM 0 HG22 THR A 754 -3.330 -7.527 0.444 1.00 0.00 H new ATOM 0 HG23 THR A 754 -4.207 -7.746 1.977 1.00 0.00 H new ATOM 575 N TYR A 755 -2.645 -4.791 0.191 1.00 0.00 N ATOM 576 CA TYR A 755 -1.640 -4.290 -0.730 1.00 0.00 C ATOM 577 C TYR A 755 -0.358 -5.119 -0.675 1.00 0.00 C ATOM 578 O TYR A 755 -0.051 -5.751 0.340 1.00 0.00 O ATOM 579 CB TYR A 755 -1.346 -2.809 -0.457 1.00 0.00 C ATOM 580 CG TYR A 755 -1.057 -2.476 0.995 1.00 0.00 C ATOM 581 CD1 TYR A 755 0.195 -2.697 1.558 1.00 0.00 C ATOM 582 CD2 TYR A 755 -2.043 -1.911 1.797 1.00 0.00 C ATOM 583 CE1 TYR A 755 0.454 -2.363 2.873 1.00 0.00 C ATOM 584 CE2 TYR A 755 -1.794 -1.582 3.115 1.00 0.00 C ATOM 585 CZ TYR A 755 -0.541 -1.808 3.646 1.00 0.00 C ATOM 586 OH TYR A 755 -0.276 -1.469 4.954 1.00 0.00 O ATOM 0 H TYR A 755 -2.280 -5.116 1.086 1.00 0.00 H new ATOM 0 HA TYR A 755 -2.043 -4.382 -1.739 1.00 0.00 H new ATOM 0 HB2 TYR A 755 -0.492 -2.505 -1.062 1.00 0.00 H new ATOM 0 HB3 TYR A 755 -2.199 -2.216 -0.789 1.00 0.00 H new ATOM 0 HD1 TYR A 755 0.977 -3.137 0.957 1.00 0.00 H new ATOM 0 HD2 TYR A 755 -3.022 -1.726 1.381 1.00 0.00 H new ATOM 0 HE1 TYR A 755 1.434 -2.537 3.293 1.00 0.00 H new ATOM 0 HE2 TYR A 755 -2.574 -1.151 3.725 1.00 0.00 H new ATOM 0 HH TYR A 755 0.298 -2.152 5.359 1.00 0.00 H new ATOM 596 N ASP A 756 0.372 -5.109 -1.785 1.00 0.00 N ATOM 597 CA ASP A 756 1.614 -5.859 -1.919 1.00 0.00 C ATOM 598 C ASP A 756 2.788 -4.914 -2.089 1.00 0.00 C ATOM 599 O ASP A 756 2.837 -4.138 -3.040 1.00 0.00 O ATOM 600 CB ASP A 756 1.576 -6.787 -3.140 1.00 0.00 C ATOM 601 CG ASP A 756 1.067 -8.185 -2.845 1.00 0.00 C ATOM 602 OD1 ASP A 756 1.323 -8.703 -1.744 1.00 0.00 O ATOM 603 OD2 ASP A 756 0.438 -8.791 -3.743 1.00 0.00 O ATOM 0 H ASP A 756 0.118 -4.579 -2.619 1.00 0.00 H new ATOM 0 HA ASP A 756 1.729 -6.452 -1.011 1.00 0.00 H new ATOM 0 HB2 ASP A 756 0.943 -6.336 -3.905 1.00 0.00 H new ATOM 0 HB3 ASP A 756 2.580 -6.859 -3.558 1.00 0.00 H new ATOM 608 N ILE A 757 3.726 -4.981 -1.170 1.00 0.00 N ATOM 609 CA ILE A 757 4.997 -4.316 -1.338 1.00 0.00 C ATOM 610 C ILE A 757 5.937 -5.294 -2.002 1.00 0.00 C ATOM 611 O ILE A 757 6.555 -6.126 -1.343 1.00 0.00 O ATOM 612 CB ILE A 757 5.601 -3.839 0.001 1.00 0.00 C ATOM 613 CG1 ILE A 757 4.686 -2.830 0.654 1.00 0.00 C ATOM 614 CG2 ILE A 757 6.958 -3.208 -0.221 1.00 0.00 C ATOM 615 CD1 ILE A 757 3.560 -3.437 1.463 1.00 0.00 C ATOM 0 H ILE A 757 3.630 -5.493 -0.293 1.00 0.00 H new ATOM 0 HA ILE A 757 4.848 -3.423 -1.945 1.00 0.00 H new ATOM 0 HB ILE A 757 5.713 -4.707 0.651 1.00 0.00 H new ATOM 0 HG12 ILE A 757 5.279 -2.188 1.305 1.00 0.00 H new ATOM 0 HG13 ILE A 757 4.258 -2.192 -0.119 1.00 0.00 H new ATOM 0 HG21 ILE A 757 7.367 -2.878 0.734 1.00 0.00 H new ATOM 0 HG22 ILE A 757 7.630 -3.939 -0.670 1.00 0.00 H new ATOM 0 HG23 ILE A 757 6.856 -2.351 -0.887 1.00 0.00 H new ATOM 0 HD11 ILE A 757 2.953 -2.642 1.896 1.00 0.00 H new ATOM 0 HD12 ILE A 757 2.939 -4.056 0.815 1.00 0.00 H new ATOM 0 HD13 ILE A 757 3.976 -4.051 2.262 1.00 0.00 H new ATOM 627 N ILE A 758 6.037 -5.202 -3.307 1.00 0.00 N ATOM 628 CA ILE A 758 6.739 -6.208 -4.063 1.00 0.00 C ATOM 629 C ILE A 758 8.204 -5.858 -4.211 1.00 0.00 C ATOM 630 O ILE A 758 8.570 -4.700 -4.403 1.00 0.00 O ATOM 631 CB ILE A 758 6.075 -6.445 -5.434 1.00 0.00 C ATOM 632 CG1 ILE A 758 6.126 -5.203 -6.316 1.00 0.00 C ATOM 633 CG2 ILE A 758 4.636 -6.869 -5.227 1.00 0.00 C ATOM 634 CD1 ILE A 758 7.229 -5.246 -7.354 1.00 0.00 C ATOM 0 H ILE A 758 5.643 -4.444 -3.864 1.00 0.00 H new ATOM 0 HA ILE A 758 6.679 -7.143 -3.506 1.00 0.00 H new ATOM 0 HB ILE A 758 6.630 -7.232 -5.945 1.00 0.00 H new ATOM 0 HG12 ILE A 758 5.167 -5.085 -6.821 1.00 0.00 H new ATOM 0 HG13 ILE A 758 6.265 -4.325 -5.686 1.00 0.00 H new ATOM 0 HG21 ILE A 758 4.164 -7.037 -6.195 1.00 0.00 H new ATOM 0 HG22 ILE A 758 4.608 -7.790 -4.644 1.00 0.00 H new ATOM 0 HG23 ILE A 758 4.099 -6.085 -4.693 1.00 0.00 H new ATOM 0 HD11 ILE A 758 7.207 -4.331 -7.946 1.00 0.00 H new ATOM 0 HD12 ILE A 758 8.194 -5.333 -6.856 1.00 0.00 H new ATOM 0 HD13 ILE A 758 7.080 -6.105 -8.008 1.00 0.00 H new ATOM 646 N GLU A 759 9.038 -6.868 -4.099 1.00 0.00 N ATOM 647 CA GLU A 759 10.468 -6.675 -4.099 1.00 0.00 C ATOM 648 C GLU A 759 11.003 -6.815 -5.510 1.00 0.00 C ATOM 649 O GLU A 759 11.225 -7.922 -6.002 1.00 0.00 O ATOM 650 CB GLU A 759 11.125 -7.676 -3.157 1.00 0.00 C ATOM 651 CG GLU A 759 10.390 -7.800 -1.834 1.00 0.00 C ATOM 652 CD GLU A 759 11.218 -8.441 -0.738 1.00 0.00 C ATOM 653 OE1 GLU A 759 10.641 -9.169 0.098 1.00 0.00 O ATOM 654 OE2 GLU A 759 12.451 -8.231 -0.715 1.00 0.00 O ATOM 0 H GLU A 759 8.745 -7.840 -4.006 1.00 0.00 H new ATOM 0 HA GLU A 759 10.703 -5.672 -3.744 1.00 0.00 H new ATOM 0 HB2 GLU A 759 11.164 -8.652 -3.640 1.00 0.00 H new ATOM 0 HB3 GLU A 759 12.155 -7.372 -2.970 1.00 0.00 H new ATOM 0 HG2 GLU A 759 10.076 -6.808 -1.508 1.00 0.00 H new ATOM 0 HG3 GLU A 759 9.484 -8.388 -1.985 1.00 0.00 H new ATOM 661 N THR A 760 11.215 -5.680 -6.152 1.00 0.00 N ATOM 662 CA THR A 760 11.580 -5.655 -7.556 1.00 0.00 C ATOM 663 C THR A 760 13.094 -5.756 -7.694 1.00 0.00 C ATOM 664 O THR A 760 13.628 -5.982 -8.781 1.00 0.00 O ATOM 665 CB THR A 760 11.030 -4.384 -8.246 1.00 0.00 C ATOM 666 OG1 THR A 760 11.622 -4.191 -9.538 1.00 0.00 O ATOM 667 CG2 THR A 760 11.252 -3.158 -7.384 1.00 0.00 C ATOM 0 H THR A 760 11.140 -4.759 -5.720 1.00 0.00 H new ATOM 0 HA THR A 760 11.131 -6.512 -8.057 1.00 0.00 H new ATOM 0 HB THR A 760 9.958 -4.527 -8.380 1.00 0.00 H new ATOM 0 HG1 THR A 760 12.426 -4.746 -9.616 1.00 0.00 H new ATOM 0 HG21 THR A 760 10.856 -2.279 -7.893 1.00 0.00 H new ATOM 0 HG22 THR A 760 10.740 -3.286 -6.430 1.00 0.00 H new ATOM 0 HG23 THR A 760 12.320 -3.025 -7.208 1.00 0.00 H new ATOM 739 N ARG A 765 8.156 -10.521 -2.651 1.00 0.00 N ATOM 740 CA ARG A 765 6.993 -9.679 -2.491 1.00 0.00 C ATOM 741 C ARG A 765 6.447 -9.799 -1.066 1.00 0.00 C ATOM 742 O ARG A 765 6.514 -10.866 -0.460 1.00 0.00 O ATOM 743 CB ARG A 765 5.943 -10.071 -3.529 1.00 0.00 C ATOM 744 CG ARG A 765 4.529 -9.723 -3.134 1.00 0.00 C ATOM 745 CD ARG A 765 3.565 -9.871 -4.303 1.00 0.00 C ATOM 746 NE ARG A 765 3.487 -11.242 -4.804 1.00 0.00 N ATOM 747 CZ ARG A 765 2.532 -11.674 -5.628 1.00 0.00 C ATOM 748 NH1 ARG A 765 1.571 -10.849 -6.024 1.00 0.00 N ATOM 749 NH2 ARG A 765 2.534 -12.932 -6.052 1.00 0.00 N ATOM 0 HA ARG A 765 7.265 -8.636 -2.651 1.00 0.00 H new ATOM 0 HB2 ARG A 765 6.178 -9.578 -4.472 1.00 0.00 H new ATOM 0 HB3 ARG A 765 6.006 -11.145 -3.707 1.00 0.00 H new ATOM 0 HG2 ARG A 765 4.210 -10.369 -2.316 1.00 0.00 H new ATOM 0 HG3 ARG A 765 4.496 -8.699 -2.763 1.00 0.00 H new ATOM 0 HD2 ARG A 765 2.572 -9.546 -3.992 1.00 0.00 H new ATOM 0 HD3 ARG A 765 3.878 -9.211 -5.112 1.00 0.00 H new ATOM 0 HE ARG A 765 4.203 -11.905 -4.507 1.00 0.00 H new ATOM 0 HH11 ARG A 765 1.562 -9.883 -5.698 1.00 0.00 H new ATOM 0 HH12 ARG A 765 0.841 -11.181 -6.654 1.00 0.00 H new ATOM 0 HH21 ARG A 765 3.268 -13.572 -5.747 1.00 0.00 H new ATOM 0 HH22 ARG A 765 1.802 -13.259 -6.682 1.00 0.00 H new ATOM 763 N LYS A 766 5.938 -8.699 -0.531 1.00 0.00 N ATOM 764 CA LYS A 766 5.406 -8.668 0.817 1.00 0.00 C ATOM 765 C LYS A 766 3.946 -8.248 0.767 1.00 0.00 C ATOM 766 O LYS A 766 3.557 -7.465 -0.081 1.00 0.00 O ATOM 767 CB LYS A 766 6.215 -7.695 1.683 1.00 0.00 C ATOM 768 CG LYS A 766 6.197 -8.033 3.165 1.00 0.00 C ATOM 769 CD LYS A 766 4.958 -7.524 3.877 1.00 0.00 C ATOM 770 CE LYS A 766 4.885 -8.101 5.279 1.00 0.00 C ATOM 771 NZ LYS A 766 3.642 -7.710 5.989 1.00 0.00 N ATOM 0 H LYS A 766 5.884 -7.806 -1.021 1.00 0.00 H new ATOM 0 HA LYS A 766 5.480 -9.661 1.261 1.00 0.00 H new ATOM 0 HB2 LYS A 766 7.248 -7.685 1.334 1.00 0.00 H new ATOM 0 HB3 LYS A 766 5.823 -6.688 1.545 1.00 0.00 H new ATOM 0 HG2 LYS A 766 6.259 -9.115 3.286 1.00 0.00 H new ATOM 0 HG3 LYS A 766 7.082 -7.608 3.639 1.00 0.00 H new ATOM 0 HD2 LYS A 766 4.978 -6.435 3.925 1.00 0.00 H new ATOM 0 HD3 LYS A 766 4.067 -7.802 3.315 1.00 0.00 H new ATOM 0 HE2 LYS A 766 4.942 -9.188 5.225 1.00 0.00 H new ATOM 0 HE3 LYS A 766 5.749 -7.765 5.853 1.00 0.00 H new ATOM 0 HZ1 LYS A 766 3.468 -8.370 6.774 1.00 0.00 H new ATOM 0 HZ2 LYS A 766 3.745 -6.746 6.364 1.00 0.00 H new ATOM 0 HZ3 LYS A 766 2.840 -7.740 5.327 1.00 0.00 H new ATOM 785 N THR A 767 3.151 -8.775 1.663 1.00 0.00 N ATOM 786 CA THR A 767 1.721 -8.501 1.666 1.00 0.00 C ATOM 787 C THR A 767 1.272 -7.927 3.012 1.00 0.00 C ATOM 788 O THR A 767 1.800 -8.303 4.061 1.00 0.00 O ATOM 789 CB THR A 767 0.938 -9.795 1.376 1.00 0.00 C ATOM 790 OG1 THR A 767 1.431 -10.396 0.173 1.00 0.00 O ATOM 791 CG2 THR A 767 -0.555 -9.528 1.235 1.00 0.00 C ATOM 0 H THR A 767 3.463 -9.400 2.406 1.00 0.00 H new ATOM 0 HA THR A 767 1.518 -7.764 0.889 1.00 0.00 H new ATOM 0 HB THR A 767 1.083 -10.470 2.219 1.00 0.00 H new ATOM 0 HG1 THR A 767 1.598 -9.700 -0.496 1.00 0.00 H new ATOM 0 HG21 THR A 767 -1.074 -10.464 1.031 1.00 0.00 H new ATOM 0 HG22 THR A 767 -0.936 -9.096 2.160 1.00 0.00 H new ATOM 0 HG23 THR A 767 -0.724 -8.833 0.413 1.00 0.00 H new ATOM 799 N PHE A 768 0.329 -6.992 2.978 1.00 0.00 N ATOM 800 CA PHE A 768 -0.288 -6.493 4.194 1.00 0.00 C ATOM 801 C PHE A 768 -1.773 -6.234 3.971 1.00 0.00 C ATOM 802 O PHE A 768 -2.175 -5.693 2.939 1.00 0.00 O ATOM 803 CB PHE A 768 0.388 -5.214 4.671 1.00 0.00 C ATOM 804 CG PHE A 768 0.320 -5.051 6.157 1.00 0.00 C ATOM 805 CD1 PHE A 768 1.055 -5.885 6.972 1.00 0.00 C ATOM 806 CD2 PHE A 768 -0.474 -4.077 6.735 1.00 0.00 C ATOM 807 CE1 PHE A 768 1.004 -5.755 8.347 1.00 0.00 C ATOM 808 CE2 PHE A 768 -0.531 -3.940 8.108 1.00 0.00 C ATOM 809 CZ PHE A 768 0.208 -4.781 8.916 1.00 0.00 C ATOM 0 H PHE A 768 -0.022 -6.567 2.120 1.00 0.00 H new ATOM 0 HA PHE A 768 -0.167 -7.256 4.963 1.00 0.00 H new ATOM 0 HB2 PHE A 768 1.432 -5.219 4.356 1.00 0.00 H new ATOM 0 HB3 PHE A 768 -0.085 -4.356 4.192 1.00 0.00 H new ATOM 0 HD1 PHE A 768 1.678 -6.649 6.531 1.00 0.00 H new ATOM 0 HD2 PHE A 768 -1.055 -3.418 6.107 1.00 0.00 H new ATOM 0 HE1 PHE A 768 1.585 -6.414 8.975 1.00 0.00 H new ATOM 0 HE2 PHE A 768 -1.153 -3.176 8.549 1.00 0.00 H new ATOM 0 HZ PHE A 768 0.164 -4.677 9.990 1.00 0.00 H new ATOM 819 N GLU A 769 -2.575 -6.628 4.944 1.00 0.00 N ATOM 820 CA GLU A 769 -4.013 -6.462 4.877 1.00 0.00 C ATOM 821 C GLU A 769 -4.542 -5.771 6.132 1.00 0.00 C ATOM 822 O GLU A 769 -4.327 -6.242 7.248 1.00 0.00 O ATOM 823 CB GLU A 769 -4.661 -7.832 4.722 1.00 0.00 C ATOM 824 CG GLU A 769 -6.181 -7.805 4.745 1.00 0.00 C ATOM 825 CD GLU A 769 -6.780 -9.185 4.906 1.00 0.00 C ATOM 826 OE1 GLU A 769 -6.982 -9.613 6.060 1.00 0.00 O ATOM 827 OE2 GLU A 769 -7.044 -9.851 3.884 1.00 0.00 O ATOM 0 H GLU A 769 -2.246 -7.072 5.802 1.00 0.00 H new ATOM 0 HA GLU A 769 -4.260 -5.835 4.021 1.00 0.00 H new ATOM 0 HB2 GLU A 769 -4.330 -8.274 3.782 1.00 0.00 H new ATOM 0 HB3 GLU A 769 -4.308 -8.482 5.522 1.00 0.00 H new ATOM 0 HG2 GLU A 769 -6.518 -7.168 5.563 1.00 0.00 H new ATOM 0 HG3 GLU A 769 -6.548 -7.358 3.821 1.00 0.00 H new ATOM 834 N ILE A 770 -5.235 -4.660 5.941 1.00 0.00 N ATOM 835 CA ILE A 770 -5.824 -3.918 7.035 1.00 0.00 C ATOM 836 C ILE A 770 -7.333 -3.929 6.876 1.00 0.00 C ATOM 837 O ILE A 770 -7.869 -3.374 5.920 1.00 0.00 O ATOM 838 CB ILE A 770 -5.300 -2.470 7.058 1.00 0.00 C ATOM 839 CG1 ILE A 770 -3.797 -2.465 7.304 1.00 0.00 C ATOM 840 CG2 ILE A 770 -6.007 -1.652 8.125 1.00 0.00 C ATOM 841 CD1 ILE A 770 -3.068 -1.443 6.477 1.00 0.00 C ATOM 0 H ILE A 770 -5.403 -4.250 5.022 1.00 0.00 H new ATOM 0 HA ILE A 770 -5.548 -4.387 7.979 1.00 0.00 H new ATOM 0 HB ILE A 770 -5.507 -2.015 6.089 1.00 0.00 H new ATOM 0 HG12 ILE A 770 -3.608 -2.271 8.360 1.00 0.00 H new ATOM 0 HG13 ILE A 770 -3.396 -3.454 7.085 1.00 0.00 H new ATOM 0 HG21 ILE A 770 -5.618 -0.634 8.120 1.00 0.00 H new ATOM 0 HG22 ILE A 770 -7.077 -1.633 7.919 1.00 0.00 H new ATOM 0 HG23 ILE A 770 -5.834 -2.102 9.103 1.00 0.00 H new ATOM 0 HD11 ILE A 770 -2.002 -1.490 6.698 1.00 0.00 H new ATOM 0 HD12 ILE A 770 -3.229 -1.650 5.419 1.00 0.00 H new ATOM 0 HD13 ILE A 770 -3.444 -0.448 6.714 1.00 0.00 H new ATOM 853 N LYS A 771 -8.012 -4.599 7.784 1.00 0.00 N ATOM 854 CA LYS A 771 -9.437 -4.805 7.655 1.00 0.00 C ATOM 855 C LYS A 771 -10.225 -3.630 8.192 1.00 0.00 C ATOM 856 O LYS A 771 -9.789 -2.932 9.110 1.00 0.00 O ATOM 857 CB LYS A 771 -9.842 -6.081 8.374 1.00 0.00 C ATOM 858 CG LYS A 771 -8.664 -7.000 8.610 1.00 0.00 C ATOM 859 CD LYS A 771 -9.088 -8.413 8.943 1.00 0.00 C ATOM 860 CE LYS A 771 -9.716 -9.102 7.743 1.00 0.00 C ATOM 861 NZ LYS A 771 -9.941 -10.549 7.989 1.00 0.00 N ATOM 0 H LYS A 771 -7.598 -5.010 8.620 1.00 0.00 H new ATOM 0 HA LYS A 771 -9.667 -4.897 6.593 1.00 0.00 H new ATOM 0 HB2 LYS A 771 -10.301 -5.828 9.330 1.00 0.00 H new ATOM 0 HB3 LYS A 771 -10.597 -6.604 7.786 1.00 0.00 H new ATOM 0 HG2 LYS A 771 -8.034 -7.013 7.720 1.00 0.00 H new ATOM 0 HG3 LYS A 771 -8.057 -6.605 9.425 1.00 0.00 H new ATOM 0 HD2 LYS A 771 -8.223 -8.984 9.280 1.00 0.00 H new ATOM 0 HD3 LYS A 771 -9.800 -8.396 9.768 1.00 0.00 H new ATOM 0 HE2 LYS A 771 -10.666 -8.622 7.505 1.00 0.00 H new ATOM 0 HE3 LYS A 771 -9.070 -8.978 6.874 1.00 0.00 H new ATOM 0 HZ1 LYS A 771 -10.371 -10.982 7.146 1.00 0.00 H new ATOM 0 HZ2 LYS A 771 -9.032 -11.012 8.191 1.00 0.00 H new ATOM 0 HZ3 LYS A 771 -10.578 -10.668 8.802 1.00 0.00 H new ATOM 875 N GLU A 772 -11.390 -3.439 7.598 1.00 0.00 N ATOM 876 CA GLU A 772 -12.330 -2.390 7.983 1.00 0.00 C ATOM 877 C GLU A 772 -11.662 -1.018 8.040 1.00 0.00 C ATOM 878 O GLU A 772 -11.741 -0.333 9.059 1.00 0.00 O ATOM 879 CB GLU A 772 -12.964 -2.693 9.345 1.00 0.00 C ATOM 880 CG GLU A 772 -13.156 -4.172 9.626 1.00 0.00 C ATOM 881 CD GLU A 772 -14.003 -4.433 10.853 1.00 0.00 C ATOM 882 OE1 GLU A 772 -13.455 -4.426 11.974 1.00 0.00 O ATOM 883 OE2 GLU A 772 -15.223 -4.653 10.706 1.00 0.00 O ATOM 0 H GLU A 772 -11.718 -4.015 6.823 1.00 0.00 H new ATOM 0 HA GLU A 772 -13.104 -2.370 7.215 1.00 0.00 H new ATOM 0 HB2 GLU A 772 -12.339 -2.264 10.128 1.00 0.00 H new ATOM 0 HB3 GLU A 772 -13.932 -2.195 9.402 1.00 0.00 H new ATOM 0 HG2 GLU A 772 -13.623 -4.643 8.761 1.00 0.00 H new ATOM 0 HG3 GLU A 772 -12.181 -4.641 9.757 1.00 0.00 H new ATOM 890 N ILE A 773 -10.987 -0.614 6.971 1.00 0.00 N ATOM 891 CA ILE A 773 -10.459 0.734 6.925 1.00 0.00 C ATOM 892 C ILE A 773 -11.612 1.677 6.623 1.00 0.00 C ATOM 893 O ILE A 773 -12.293 1.550 5.611 1.00 0.00 O ATOM 894 CB ILE A 773 -9.264 0.913 5.921 1.00 0.00 C ATOM 895 CG1 ILE A 773 -9.692 1.433 4.542 1.00 0.00 C ATOM 896 CG2 ILE A 773 -8.495 -0.389 5.753 1.00 0.00 C ATOM 897 CD1 ILE A 773 -9.765 2.953 4.451 1.00 0.00 C ATOM 0 H ILE A 773 -10.798 -1.186 6.148 1.00 0.00 H new ATOM 0 HA ILE A 773 -10.023 0.970 7.895 1.00 0.00 H new ATOM 0 HB ILE A 773 -8.621 1.672 6.366 1.00 0.00 H new ATOM 0 HG12 ILE A 773 -8.990 1.067 3.793 1.00 0.00 H new ATOM 0 HG13 ILE A 773 -10.668 1.017 4.294 1.00 0.00 H new ATOM 0 HG21 ILE A 773 -7.673 -0.238 5.053 1.00 0.00 H new ATOM 0 HG22 ILE A 773 -8.097 -0.704 6.718 1.00 0.00 H new ATOM 0 HG23 ILE A 773 -9.163 -1.159 5.368 1.00 0.00 H new ATOM 0 HD11 ILE A 773 -10.074 3.243 3.447 1.00 0.00 H new ATOM 0 HD12 ILE A 773 -10.489 3.327 5.175 1.00 0.00 H new ATOM 0 HD13 ILE A 773 -8.784 3.378 4.666 1.00 0.00 H new ATOM 909 N LYS A 774 -11.875 2.564 7.555 1.00 0.00 N ATOM 910 CA LYS A 774 -12.961 3.514 7.429 1.00 0.00 C ATOM 911 C LYS A 774 -12.360 4.907 7.386 1.00 0.00 C ATOM 912 O LYS A 774 -12.954 5.893 7.824 1.00 0.00 O ATOM 913 CB LYS A 774 -13.911 3.338 8.616 1.00 0.00 C ATOM 914 CG LYS A 774 -14.245 1.872 8.869 1.00 0.00 C ATOM 915 CD LYS A 774 -14.949 1.654 10.194 1.00 0.00 C ATOM 916 CE LYS A 774 -15.041 0.168 10.518 1.00 0.00 C ATOM 917 NZ LYS A 774 -15.696 -0.082 11.826 1.00 0.00 N ATOM 0 H LYS A 774 -11.344 2.649 8.422 1.00 0.00 H new ATOM 0 HA LYS A 774 -13.535 3.353 6.517 1.00 0.00 H new ATOM 0 HB2 LYS A 774 -13.457 3.766 9.510 1.00 0.00 H new ATOM 0 HB3 LYS A 774 -14.831 3.892 8.429 1.00 0.00 H new ATOM 0 HG2 LYS A 774 -14.877 1.503 8.061 1.00 0.00 H new ATOM 0 HG3 LYS A 774 -13.327 1.285 8.849 1.00 0.00 H new ATOM 0 HD2 LYS A 774 -14.409 2.171 10.987 1.00 0.00 H new ATOM 0 HD3 LYS A 774 -15.949 2.085 10.155 1.00 0.00 H new ATOM 0 HE2 LYS A 774 -15.599 -0.340 9.731 1.00 0.00 H new ATOM 0 HE3 LYS A 774 -14.040 -0.263 10.527 1.00 0.00 H new ATOM 0 HZ1 LYS A 774 -15.736 -1.106 12.004 1.00 0.00 H new ATOM 0 HZ2 LYS A 774 -15.150 0.380 12.581 1.00 0.00 H new ATOM 0 HZ3 LYS A 774 -16.661 0.305 11.810 1.00 0.00 H new ATOM 931 N THR A 775 -11.154 4.951 6.842 1.00 0.00 N ATOM 932 CA THR A 775 -10.325 6.139 6.857 1.00 0.00 C ATOM 933 C THR A 775 -10.443 6.943 5.561 1.00 0.00 C ATOM 934 O THR A 775 -11.004 8.038 5.551 1.00 0.00 O ATOM 935 CB THR A 775 -8.862 5.730 7.050 1.00 0.00 C ATOM 936 OG1 THR A 775 -8.792 4.601 7.934 1.00 0.00 O ATOM 937 CG2 THR A 775 -8.049 6.876 7.629 1.00 0.00 C ATOM 0 H THR A 775 -10.722 4.154 6.374 1.00 0.00 H new ATOM 0 HA THR A 775 -10.668 6.769 7.678 1.00 0.00 H new ATOM 0 HB THR A 775 -8.447 5.468 6.077 1.00 0.00 H new ATOM 0 HG1 THR A 775 -7.856 4.339 8.056 1.00 0.00 H new ATOM 0 HG21 THR A 775 -7.014 6.560 7.756 1.00 0.00 H new ATOM 0 HG22 THR A 775 -8.087 7.728 6.951 1.00 0.00 H new ATOM 0 HG23 THR A 775 -8.462 7.163 8.596 1.00 0.00 H new ATOM 945 N ASN A 776 -9.853 6.390 4.491 1.00 0.00 N ATOM 946 CA ASN A 776 -9.877 6.968 3.139 1.00 0.00 C ATOM 947 C ASN A 776 -8.761 7.975 2.981 1.00 0.00 C ATOM 948 O ASN A 776 -8.656 8.665 1.970 1.00 0.00 O ATOM 949 CB ASN A 776 -11.228 7.595 2.788 1.00 0.00 C ATOM 950 CG ASN A 776 -12.363 6.589 2.784 1.00 0.00 C ATOM 951 OD1 ASN A 776 -13.520 6.948 2.985 1.00 0.00 O ATOM 952 ND2 ASN A 776 -12.040 5.319 2.592 1.00 0.00 N ATOM 0 H ASN A 776 -9.336 5.512 4.542 1.00 0.00 H new ATOM 0 HA ASN A 776 -9.723 6.149 2.437 1.00 0.00 H new ATOM 0 HB2 ASN A 776 -11.453 8.386 3.504 1.00 0.00 H new ATOM 0 HB3 ASN A 776 -11.161 8.064 1.806 1.00 0.00 H new ATOM 0 HD21 ASN A 776 -12.764 4.601 2.608 1.00 0.00 H new ATOM 0 HD22 ASN A 776 -11.067 5.059 2.428 1.00 0.00 H new ATOM 959 N GLU A 777 -7.934 8.034 4.003 1.00 0.00 N ATOM 960 CA GLU A 777 -6.764 8.865 4.028 1.00 0.00 C ATOM 961 C GLU A 777 -5.858 8.350 5.122 1.00 0.00 C ATOM 962 O GLU A 777 -5.998 8.703 6.290 1.00 0.00 O ATOM 963 CB GLU A 777 -7.184 10.284 4.292 1.00 0.00 C ATOM 964 CG GLU A 777 -6.131 11.314 3.943 1.00 0.00 C ATOM 965 CD GLU A 777 -4.979 11.377 4.925 1.00 0.00 C ATOM 966 OE1 GLU A 777 -5.179 11.881 6.052 1.00 0.00 O ATOM 967 OE2 GLU A 777 -3.864 10.942 4.567 1.00 0.00 O ATOM 0 H GLU A 777 -8.066 7.490 4.856 1.00 0.00 H new ATOM 0 HA GLU A 777 -6.231 8.839 3.078 1.00 0.00 H new ATOM 0 HB2 GLU A 777 -8.088 10.496 3.721 1.00 0.00 H new ATOM 0 HB3 GLU A 777 -7.441 10.386 5.346 1.00 0.00 H new ATOM 0 HG2 GLU A 777 -5.737 11.094 2.951 1.00 0.00 H new ATOM 0 HG3 GLU A 777 -6.602 12.295 3.888 1.00 0.00 H new ATOM 974 N TYR A 778 -4.953 7.496 4.737 1.00 0.00 N ATOM 975 CA TYR A 778 -4.159 6.748 5.695 1.00 0.00 C ATOM 976 C TYR A 778 -2.762 6.561 5.160 1.00 0.00 C ATOM 977 O TYR A 778 -2.586 6.132 4.030 1.00 0.00 O ATOM 978 CB TYR A 778 -4.830 5.398 5.968 1.00 0.00 C ATOM 979 CG TYR A 778 -4.027 4.436 6.822 1.00 0.00 C ATOM 980 CD1 TYR A 778 -4.157 4.425 8.205 1.00 0.00 C ATOM 981 CD2 TYR A 778 -3.149 3.526 6.240 1.00 0.00 C ATOM 982 CE1 TYR A 778 -3.435 3.539 8.982 1.00 0.00 C ATOM 983 CE2 TYR A 778 -2.423 2.640 7.012 1.00 0.00 C ATOM 984 CZ TYR A 778 -2.570 2.650 8.381 1.00 0.00 C ATOM 985 OH TYR A 778 -1.851 1.765 9.153 1.00 0.00 O ATOM 0 H TYR A 778 -4.739 7.293 3.761 1.00 0.00 H new ATOM 0 HA TYR A 778 -4.094 7.298 6.634 1.00 0.00 H new ATOM 0 HB2 TYR A 778 -5.788 5.579 6.456 1.00 0.00 H new ATOM 0 HB3 TYR A 778 -5.045 4.918 5.013 1.00 0.00 H new ATOM 0 HD1 TYR A 778 -4.833 5.120 8.681 1.00 0.00 H new ATOM 0 HD2 TYR A 778 -3.033 3.512 5.166 1.00 0.00 H new ATOM 0 HE1 TYR A 778 -3.548 3.543 10.056 1.00 0.00 H new ATOM 0 HE2 TYR A 778 -1.744 1.943 6.544 1.00 0.00 H new ATOM 0 HH TYR A 778 -1.289 1.208 8.575 1.00 0.00 H new ATOM 995 N VAL A 779 -1.759 6.897 5.941 1.00 0.00 N ATOM 996 CA VAL A 779 -0.416 6.721 5.460 1.00 0.00 C ATOM 997 C VAL A 779 0.141 5.386 5.916 1.00 0.00 C ATOM 998 O VAL A 779 0.049 5.002 7.084 1.00 0.00 O ATOM 999 CB VAL A 779 0.524 7.906 5.781 1.00 0.00 C ATOM 1000 CG1 VAL A 779 -0.252 9.140 6.188 1.00 0.00 C ATOM 1001 CG2 VAL A 779 1.561 7.510 6.785 1.00 0.00 C ATOM 0 H VAL A 779 -1.846 7.281 6.882 1.00 0.00 H new ATOM 0 HA VAL A 779 -0.469 6.710 4.371 1.00 0.00 H new ATOM 0 HB VAL A 779 1.057 8.175 4.869 1.00 0.00 H new ATOM 0 HG11 VAL A 779 0.443 9.951 6.406 1.00 0.00 H new ATOM 0 HG12 VAL A 779 -0.914 9.438 5.375 1.00 0.00 H new ATOM 0 HG13 VAL A 779 -0.844 8.921 7.077 1.00 0.00 H new ATOM 0 HG21 VAL A 779 2.209 8.361 6.993 1.00 0.00 H new ATOM 0 HG22 VAL A 779 1.073 7.192 7.706 1.00 0.00 H new ATOM 0 HG23 VAL A 779 2.157 6.689 6.388 1.00 0.00 H new ATOM 1011 N ILE A 780 0.659 4.663 4.949 1.00 0.00 N ATOM 1012 CA ILE A 780 1.134 3.315 5.154 1.00 0.00 C ATOM 1013 C ILE A 780 2.599 3.314 5.560 1.00 0.00 C ATOM 1014 O ILE A 780 3.392 4.121 5.079 1.00 0.00 O ATOM 1015 CB ILE A 780 0.945 2.494 3.865 1.00 0.00 C ATOM 1016 CG1 ILE A 780 -0.530 2.277 3.562 1.00 0.00 C ATOM 1017 CG2 ILE A 780 1.662 1.160 3.937 1.00 0.00 C ATOM 1018 CD1 ILE A 780 -0.733 1.580 2.242 1.00 0.00 C ATOM 0 H ILE A 780 0.763 4.997 3.991 1.00 0.00 H new ATOM 0 HA ILE A 780 0.555 2.863 5.959 1.00 0.00 H new ATOM 0 HB ILE A 780 1.387 3.073 3.054 1.00 0.00 H new ATOM 0 HG12 ILE A 780 -0.982 1.686 4.359 1.00 0.00 H new ATOM 0 HG13 ILE A 780 -1.044 3.238 3.548 1.00 0.00 H new ATOM 0 HG21 ILE A 780 1.504 0.611 3.008 1.00 0.00 H new ATOM 0 HG22 ILE A 780 2.729 1.328 4.082 1.00 0.00 H new ATOM 0 HG23 ILE A 780 1.269 0.580 4.772 1.00 0.00 H new ATOM 0 HD11 ILE A 780 -1.799 1.444 2.063 1.00 0.00 H new ATOM 0 HD12 ILE A 780 -0.305 2.184 1.442 1.00 0.00 H new ATOM 0 HD13 ILE A 780 -0.242 0.607 2.265 1.00 0.00 H new ATOM 1030 N LYS A 781 2.948 2.407 6.448 1.00 0.00 N ATOM 1031 CA LYS A 781 4.312 2.266 6.903 1.00 0.00 C ATOM 1032 C LYS A 781 4.834 0.893 6.549 1.00 0.00 C ATOM 1033 O LYS A 781 4.421 -0.113 7.127 1.00 0.00 O ATOM 1034 CB LYS A 781 4.411 2.522 8.391 1.00 0.00 C ATOM 1035 CG LYS A 781 4.298 3.997 8.711 1.00 0.00 C ATOM 1036 CD LYS A 781 4.858 4.301 10.070 1.00 0.00 C ATOM 1037 CE LYS A 781 3.976 3.752 11.179 1.00 0.00 C ATOM 1038 NZ LYS A 781 4.500 4.089 12.530 1.00 0.00 N ATOM 0 H LYS A 781 2.295 1.749 6.873 1.00 0.00 H new ATOM 0 HA LYS A 781 4.930 3.010 6.400 1.00 0.00 H new ATOM 0 HB2 LYS A 781 3.622 1.975 8.908 1.00 0.00 H new ATOM 0 HB3 LYS A 781 5.361 2.140 8.764 1.00 0.00 H new ATOM 0 HG2 LYS A 781 4.830 4.577 7.957 1.00 0.00 H new ATOM 0 HG3 LYS A 781 3.252 4.302 8.669 1.00 0.00 H new ATOM 0 HD2 LYS A 781 5.857 3.874 10.155 1.00 0.00 H new ATOM 0 HD3 LYS A 781 4.961 5.380 10.188 1.00 0.00 H new ATOM 0 HE2 LYS A 781 2.968 4.152 11.071 1.00 0.00 H new ATOM 0 HE3 LYS A 781 3.901 2.669 11.079 1.00 0.00 H new ATOM 0 HZ1 LYS A 781 3.868 3.695 13.256 1.00 0.00 H new ATOM 0 HZ2 LYS A 781 5.452 3.685 12.644 1.00 0.00 H new ATOM 0 HZ3 LYS A 781 4.547 5.122 12.636 1.00 0.00 H new ATOM 1052 N THR A 782 5.716 0.856 5.574 1.00 0.00 N ATOM 1053 CA THR A 782 6.262 -0.393 5.104 1.00 0.00 C ATOM 1054 C THR A 782 7.312 -0.910 6.074 1.00 0.00 C ATOM 1055 O THR A 782 8.095 -0.125 6.628 1.00 0.00 O ATOM 1056 CB THR A 782 6.861 -0.238 3.707 1.00 0.00 C ATOM 1057 OG1 THR A 782 7.744 0.879 3.677 1.00 0.00 O ATOM 1058 CG2 THR A 782 5.765 -0.032 2.702 1.00 0.00 C ATOM 0 H THR A 782 6.070 1.682 5.091 1.00 0.00 H new ATOM 0 HA THR A 782 5.449 -1.117 5.047 1.00 0.00 H new ATOM 0 HB THR A 782 7.415 -1.143 3.460 1.00 0.00 H new ATOM 0 HG1 THR A 782 8.658 0.569 3.505 1.00 0.00 H new ATOM 0 HG21 THR A 782 6.199 0.078 1.708 1.00 0.00 H new ATOM 0 HG22 THR A 782 5.095 -0.892 2.713 1.00 0.00 H new ATOM 0 HG23 THR A 782 5.204 0.868 2.955 1.00 0.00 H new ATOM 1066 N PRO A 783 7.327 -2.239 6.285 1.00 0.00 N ATOM 1067 CA PRO A 783 8.197 -2.899 7.268 1.00 0.00 C ATOM 1068 C PRO A 783 9.668 -2.570 7.069 1.00 0.00 C ATOM 1069 O PRO A 783 10.079 -2.131 5.997 1.00 0.00 O ATOM 1070 CB PRO A 783 7.953 -4.388 7.013 1.00 0.00 C ATOM 1071 CG PRO A 783 6.601 -4.445 6.397 1.00 0.00 C ATOM 1072 CD PRO A 783 6.496 -3.213 5.556 1.00 0.00 C ATOM 0 HA PRO A 783 7.970 -2.576 8.284 1.00 0.00 H new ATOM 0 HB2 PRO A 783 8.709 -4.806 6.349 1.00 0.00 H new ATOM 0 HB3 PRO A 783 7.991 -4.961 7.940 1.00 0.00 H new ATOM 0 HG2 PRO A 783 6.482 -5.344 5.793 1.00 0.00 H new ATOM 0 HG3 PRO A 783 5.822 -4.468 7.159 1.00 0.00 H new ATOM 0 HD2 PRO A 783 6.867 -3.382 4.545 1.00 0.00 H new ATOM 0 HD3 PRO A 783 5.464 -2.874 5.465 1.00 0.00 H new ATOM 1080 N VAL A 784 10.453 -2.802 8.113 1.00 0.00 N ATOM 1081 CA VAL A 784 11.873 -2.500 8.094 1.00 0.00 C ATOM 1082 C VAL A 784 12.581 -3.256 6.972 1.00 0.00 C ATOM 1083 O VAL A 784 12.399 -4.464 6.792 1.00 0.00 O ATOM 1084 CB VAL A 784 12.537 -2.847 9.444 1.00 0.00 C ATOM 1085 CG1 VAL A 784 12.316 -4.308 9.773 1.00 0.00 C ATOM 1086 CG2 VAL A 784 14.025 -2.541 9.410 1.00 0.00 C ATOM 0 H VAL A 784 10.123 -3.203 8.991 1.00 0.00 H new ATOM 0 HA VAL A 784 11.970 -1.429 7.918 1.00 0.00 H new ATOM 0 HB VAL A 784 12.077 -2.233 10.218 1.00 0.00 H new ATOM 0 HG11 VAL A 784 12.789 -4.542 10.727 1.00 0.00 H new ATOM 0 HG12 VAL A 784 11.247 -4.508 9.839 1.00 0.00 H new ATOM 0 HG13 VAL A 784 12.754 -4.927 8.990 1.00 0.00 H new ATOM 0 HG21 VAL A 784 14.471 -2.794 10.372 1.00 0.00 H new ATOM 0 HG22 VAL A 784 14.500 -3.129 8.625 1.00 0.00 H new ATOM 0 HG23 VAL A 784 14.174 -1.480 9.209 1.00 0.00 H new ATOM 1096 N PHE A 785 13.372 -2.531 6.218 1.00 0.00 N ATOM 1097 CA PHE A 785 14.155 -3.113 5.144 1.00 0.00 C ATOM 1098 C PHE A 785 15.637 -3.045 5.493 1.00 0.00 C ATOM 1099 O PHE A 785 16.334 -2.089 5.148 1.00 0.00 O ATOM 1100 CB PHE A 785 13.901 -2.390 3.817 1.00 0.00 C ATOM 1101 CG PHE A 785 12.449 -2.277 3.433 1.00 0.00 C ATOM 1102 CD1 PHE A 785 11.653 -3.404 3.288 1.00 0.00 C ATOM 1103 CD2 PHE A 785 11.885 -1.034 3.200 1.00 0.00 C ATOM 1104 CE1 PHE A 785 10.324 -3.286 2.918 1.00 0.00 C ATOM 1105 CE2 PHE A 785 10.561 -0.915 2.833 1.00 0.00 C ATOM 1106 CZ PHE A 785 9.780 -2.041 2.692 1.00 0.00 C ATOM 0 H PHE A 785 13.494 -1.524 6.327 1.00 0.00 H new ATOM 0 HA PHE A 785 13.852 -4.154 5.027 1.00 0.00 H new ATOM 0 HB2 PHE A 785 14.327 -1.388 3.877 1.00 0.00 H new ATOM 0 HB3 PHE A 785 14.433 -2.916 3.024 1.00 0.00 H new ATOM 0 HD1 PHE A 785 12.074 -4.383 3.465 1.00 0.00 H new ATOM 0 HD2 PHE A 785 12.490 -0.146 3.307 1.00 0.00 H new ATOM 0 HE1 PHE A 785 9.714 -4.170 2.807 1.00 0.00 H new ATOM 0 HE2 PHE A 785 10.136 0.062 2.656 1.00 0.00 H new ATOM 0 HZ PHE A 785 8.743 -1.948 2.405 1.00 0.00 H new ATOM 1116 N THR A 786 16.124 -4.069 6.174 1.00 0.00 N ATOM 1117 CA THR A 786 17.518 -4.114 6.597 1.00 0.00 C ATOM 1118 C THR A 786 18.412 -4.597 5.468 1.00 0.00 C ATOM 1119 O THR A 786 19.441 -5.236 5.684 1.00 0.00 O ATOM 1120 CB THR A 786 17.678 -5.009 7.826 1.00 0.00 C ATOM 1121 OG1 THR A 786 17.143 -6.316 7.566 1.00 0.00 O ATOM 1122 CG2 THR A 786 16.960 -4.379 8.998 1.00 0.00 C ATOM 0 H THR A 786 15.574 -4.884 6.447 1.00 0.00 H new ATOM 0 HA THR A 786 17.823 -3.102 6.863 1.00 0.00 H new ATOM 0 HB THR A 786 18.738 -5.111 8.060 1.00 0.00 H new ATOM 0 HG1 THR A 786 17.254 -6.879 8.361 1.00 0.00 H new ATOM 0 HG21 THR A 786 17.071 -5.014 9.877 1.00 0.00 H new ATOM 0 HG22 THR A 786 17.388 -3.398 9.202 1.00 0.00 H new ATOM 0 HG23 THR A 786 15.902 -4.270 8.761 1.00 0.00 H new ATOM 1130 N THR A 787 18.001 -4.269 4.262 1.00 0.00 N ATOM 1131 CA THR A 787 18.718 -4.650 3.059 1.00 0.00 C ATOM 1132 C THR A 787 18.363 -3.710 1.912 1.00 0.00 C ATOM 1133 O THR A 787 17.241 -3.738 1.408 1.00 0.00 O ATOM 1134 CB THR A 787 18.399 -6.091 2.641 1.00 0.00 C ATOM 1135 OG1 THR A 787 18.492 -6.975 3.769 1.00 0.00 O ATOM 1136 CG2 THR A 787 19.364 -6.549 1.564 1.00 0.00 C ATOM 0 H THR A 787 17.155 -3.727 4.085 1.00 0.00 H new ATOM 0 HA THR A 787 19.783 -4.581 3.282 1.00 0.00 H new ATOM 0 HB THR A 787 17.381 -6.116 2.251 1.00 0.00 H new ATOM 0 HG1 THR A 787 18.284 -7.890 3.486 1.00 0.00 H new ATOM 0 HG21 THR A 787 19.128 -7.573 1.275 1.00 0.00 H new ATOM 0 HG22 THR A 787 19.275 -5.897 0.695 1.00 0.00 H new ATOM 0 HG23 THR A 787 20.384 -6.506 1.947 1.00 0.00 H new ATOM 1144 N GLY A 788 19.309 -2.842 1.548 1.00 0.00 N ATOM 1145 CA GLY A 788 19.143 -1.979 0.394 1.00 0.00 C ATOM 1146 C GLY A 788 18.612 -2.706 -0.825 1.00 0.00 C ATOM 1147 O GLY A 788 19.181 -3.705 -1.267 1.00 0.00 O ATOM 0 H GLY A 788 20.195 -2.724 2.040 1.00 0.00 H new ATOM 0 HA2 GLY A 788 18.462 -1.168 0.650 1.00 0.00 H new ATOM 0 HA3 GLY A 788 20.102 -1.524 0.148 1.00 0.00 H new ATOM 1151 N GLY A 789 17.511 -2.204 -1.349 1.00 0.00 N ATOM 1152 CA GLY A 789 16.896 -2.777 -2.522 1.00 0.00 C ATOM 1153 C GLY A 789 15.873 -1.835 -3.110 1.00 0.00 C ATOM 1154 O GLY A 789 15.986 -0.621 -2.956 1.00 0.00 O ATOM 0 H GLY A 789 17.022 -1.391 -0.973 1.00 0.00 H new ATOM 0 HA2 GLY A 789 17.661 -3.000 -3.266 1.00 0.00 H new ATOM 0 HA3 GLY A 789 16.419 -3.722 -2.262 1.00 0.00 H new ATOM 1158 N ASP A 790 14.864 -2.376 -3.762 1.00 0.00 N ATOM 1159 CA ASP A 790 13.847 -1.554 -4.383 1.00 0.00 C ATOM 1160 C ASP A 790 12.530 -2.291 -4.315 1.00 0.00 C ATOM 1161 O ASP A 790 12.467 -3.494 -4.589 1.00 0.00 O ATOM 1162 CB ASP A 790 14.219 -1.239 -5.831 1.00 0.00 C ATOM 1163 CG ASP A 790 13.508 -0.015 -6.372 1.00 0.00 C ATOM 1164 OD1 ASP A 790 12.467 -0.164 -7.036 1.00 0.00 O ATOM 1165 OD2 ASP A 790 14.009 1.107 -6.155 1.00 0.00 O ATOM 0 H ASP A 790 14.727 -3.380 -3.875 1.00 0.00 H new ATOM 0 HA ASP A 790 13.764 -0.605 -3.854 1.00 0.00 H new ATOM 0 HB2 ASP A 790 15.296 -1.086 -5.899 1.00 0.00 H new ATOM 0 HB3 ASP A 790 13.979 -2.098 -6.457 1.00 0.00 H new ATOM 1170 N TYR A 791 11.497 -1.587 -3.911 1.00 0.00 N ATOM 1171 CA TYR A 791 10.207 -2.196 -3.682 1.00 0.00 C ATOM 1172 C TYR A 791 9.123 -1.366 -4.343 1.00 0.00 C ATOM 1173 O TYR A 791 9.297 -0.173 -4.561 1.00 0.00 O ATOM 1174 CB TYR A 791 9.934 -2.306 -2.177 1.00 0.00 C ATOM 1175 CG TYR A 791 11.046 -2.974 -1.393 1.00 0.00 C ATOM 1176 CD1 TYR A 791 12.131 -2.243 -0.924 1.00 0.00 C ATOM 1177 CD2 TYR A 791 11.013 -4.333 -1.132 1.00 0.00 C ATOM 1178 CE1 TYR A 791 13.151 -2.852 -0.218 1.00 0.00 C ATOM 1179 CE2 TYR A 791 12.027 -4.950 -0.424 1.00 0.00 C ATOM 1180 CZ TYR A 791 13.094 -4.205 0.029 1.00 0.00 C ATOM 1181 OH TYR A 791 14.108 -4.816 0.731 1.00 0.00 O ATOM 0 H TYR A 791 11.527 -0.583 -3.733 1.00 0.00 H new ATOM 0 HA TYR A 791 10.207 -3.197 -4.114 1.00 0.00 H new ATOM 0 HB2 TYR A 791 9.770 -1.306 -1.774 1.00 0.00 H new ATOM 0 HB3 TYR A 791 9.011 -2.866 -2.026 1.00 0.00 H new ATOM 0 HD1 TYR A 791 12.178 -1.181 -1.115 1.00 0.00 H new ATOM 0 HD2 TYR A 791 10.180 -4.921 -1.488 1.00 0.00 H new ATOM 0 HE1 TYR A 791 13.988 -2.270 0.138 1.00 0.00 H new ATOM 0 HE2 TYR A 791 11.983 -6.011 -0.227 1.00 0.00 H new ATOM 0 HH TYR A 791 13.914 -5.773 0.820 1.00 0.00 H new ATOM 1191 N ILE A 792 8.018 -1.997 -4.677 1.00 0.00 N ATOM 1192 CA ILE A 792 6.887 -1.295 -5.249 1.00 0.00 C ATOM 1193 C ILE A 792 5.615 -1.685 -4.521 1.00 0.00 C ATOM 1194 O ILE A 792 5.216 -2.847 -4.529 1.00 0.00 O ATOM 1195 CB ILE A 792 6.742 -1.592 -6.754 1.00 0.00 C ATOM 1196 CG1 ILE A 792 7.941 -1.032 -7.517 1.00 0.00 C ATOM 1197 CG2 ILE A 792 5.454 -0.988 -7.290 1.00 0.00 C ATOM 1198 CD1 ILE A 792 8.357 -1.864 -8.705 1.00 0.00 C ATOM 0 H ILE A 792 7.877 -3.001 -4.562 1.00 0.00 H new ATOM 0 HA ILE A 792 7.061 -0.225 -5.132 1.00 0.00 H new ATOM 0 HB ILE A 792 6.706 -2.672 -6.895 1.00 0.00 H new ATOM 0 HG12 ILE A 792 7.703 -0.024 -7.858 1.00 0.00 H new ATOM 0 HG13 ILE A 792 8.786 -0.946 -6.833 1.00 0.00 H new ATOM 0 HG21 ILE A 792 5.365 -1.206 -8.354 1.00 0.00 H new ATOM 0 HG22 ILE A 792 4.603 -1.416 -6.760 1.00 0.00 H new ATOM 0 HG23 ILE A 792 5.469 0.092 -7.141 1.00 0.00 H new ATOM 0 HD11 ILE A 792 9.214 -1.399 -9.192 1.00 0.00 H new ATOM 0 HD12 ILE A 792 8.629 -2.865 -8.371 1.00 0.00 H new ATOM 0 HD13 ILE A 792 7.529 -1.929 -9.411 1.00 0.00 H new ATOM 1210 N LEU A 793 4.994 -0.718 -3.877 1.00 0.00 N ATOM 1211 CA LEU A 793 3.755 -0.970 -3.179 1.00 0.00 C ATOM 1212 C LEU A 793 2.607 -0.864 -4.161 1.00 0.00 C ATOM 1213 O LEU A 793 2.265 0.222 -4.627 1.00 0.00 O ATOM 1214 CB LEU A 793 3.574 0.001 -2.006 1.00 0.00 C ATOM 1215 CG LEU A 793 2.333 -0.250 -1.135 1.00 0.00 C ATOM 1216 CD1 LEU A 793 2.594 0.151 0.306 1.00 0.00 C ATOM 1217 CD2 LEU A 793 1.144 0.524 -1.669 1.00 0.00 C ATOM 0 H LEU A 793 5.327 0.245 -3.824 1.00 0.00 H new ATOM 0 HA LEU A 793 3.776 -1.976 -2.759 1.00 0.00 H new ATOM 0 HB2 LEU A 793 4.459 -0.051 -1.372 1.00 0.00 H new ATOM 0 HB3 LEU A 793 3.523 1.016 -2.400 1.00 0.00 H new ATOM 0 HG LEU A 793 2.111 -1.317 -1.169 1.00 0.00 H new ATOM 0 HD11 LEU A 793 1.701 -0.036 0.903 1.00 0.00 H new ATOM 0 HD12 LEU A 793 3.424 -0.434 0.702 1.00 0.00 H new ATOM 0 HD13 LEU A 793 2.844 1.211 0.349 1.00 0.00 H new ATOM 0 HD21 LEU A 793 0.274 0.334 -1.040 1.00 0.00 H new ATOM 0 HD22 LEU A 793 1.371 1.590 -1.662 1.00 0.00 H new ATOM 0 HD23 LEU A 793 0.931 0.205 -2.689 1.00 0.00 H new ATOM 1229 N SER A 794 2.050 -2.006 -4.495 1.00 0.00 N ATOM 1230 CA SER A 794 0.931 -2.084 -5.407 1.00 0.00 C ATOM 1231 C SER A 794 -0.295 -2.587 -4.658 1.00 0.00 C ATOM 1232 O SER A 794 -0.182 -3.118 -3.554 1.00 0.00 O ATOM 1233 CB SER A 794 1.274 -3.024 -6.563 1.00 0.00 C ATOM 1234 OG SER A 794 2.489 -2.639 -7.181 1.00 0.00 O ATOM 0 H SER A 794 2.361 -2.910 -4.141 1.00 0.00 H new ATOM 0 HA SER A 794 0.717 -1.096 -5.814 1.00 0.00 H new ATOM 0 HB2 SER A 794 1.356 -4.046 -6.194 1.00 0.00 H new ATOM 0 HB3 SER A 794 0.468 -3.014 -7.297 1.00 0.00 H new ATOM 0 HG SER A 794 2.691 -3.254 -7.917 1.00 0.00 H new ATOM 1240 N LEU A 795 -1.458 -2.428 -5.254 1.00 0.00 N ATOM 1241 CA LEU A 795 -2.699 -2.775 -4.592 1.00 0.00 C ATOM 1242 C LEU A 795 -3.137 -4.181 -4.964 1.00 0.00 C ATOM 1243 O LEU A 795 -3.140 -4.549 -6.141 1.00 0.00 O ATOM 1244 CB LEU A 795 -3.768 -1.776 -4.973 1.00 0.00 C ATOM 1245 CG LEU A 795 -3.376 -0.318 -4.769 1.00 0.00 C ATOM 1246 CD1 LEU A 795 -4.546 0.558 -5.126 1.00 0.00 C ATOM 1247 CD2 LEU A 795 -2.902 -0.061 -3.341 1.00 0.00 C ATOM 0 H LEU A 795 -1.571 -2.060 -6.198 1.00 0.00 H new ATOM 0 HA LEU A 795 -2.542 -2.746 -3.514 1.00 0.00 H new ATOM 0 HB2 LEU A 795 -4.029 -1.925 -6.021 1.00 0.00 H new ATOM 0 HB3 LEU A 795 -4.665 -1.983 -4.389 1.00 0.00 H new ATOM 0 HG LEU A 795 -2.537 -0.079 -5.423 1.00 0.00 H new ATOM 0 HD11 LEU A 795 -4.274 1.604 -4.983 1.00 0.00 H new ATOM 0 HD12 LEU A 795 -4.819 0.393 -6.168 1.00 0.00 H new ATOM 0 HD13 LEU A 795 -5.393 0.312 -4.486 1.00 0.00 H new ATOM 0 HD21 LEU A 795 -2.630 0.989 -3.231 1.00 0.00 H new ATOM 0 HD22 LEU A 795 -3.703 -0.304 -2.643 1.00 0.00 H new ATOM 0 HD23 LEU A 795 -2.034 -0.684 -3.128 1.00 0.00 H new ATOM 1259 N VAL A 796 -3.505 -4.967 -3.959 1.00 0.00 N ATOM 1260 CA VAL A 796 -3.920 -6.342 -4.187 1.00 0.00 C ATOM 1261 C VAL A 796 -5.410 -6.415 -4.451 1.00 0.00 C ATOM 1262 O VAL A 796 -5.834 -6.869 -5.511 1.00 0.00 O ATOM 1263 CB VAL A 796 -3.577 -7.237 -2.979 1.00 0.00 C ATOM 1264 CG1 VAL A 796 -4.121 -8.648 -3.164 1.00 0.00 C ATOM 1265 CG2 VAL A 796 -2.085 -7.269 -2.795 1.00 0.00 C ATOM 0 H VAL A 796 -3.524 -4.675 -2.982 1.00 0.00 H new ATOM 0 HA VAL A 796 -3.377 -6.703 -5.061 1.00 0.00 H new ATOM 0 HB VAL A 796 -4.047 -6.819 -2.089 1.00 0.00 H new ATOM 0 HG11 VAL A 796 -3.863 -9.254 -2.296 1.00 0.00 H new ATOM 0 HG12 VAL A 796 -5.205 -8.609 -3.270 1.00 0.00 H new ATOM 0 HG13 VAL A 796 -3.685 -9.092 -4.059 1.00 0.00 H new ATOM 0 HG21 VAL A 796 -1.837 -7.901 -1.942 1.00 0.00 H new ATOM 0 HG22 VAL A 796 -1.616 -7.672 -3.693 1.00 0.00 H new ATOM 0 HG23 VAL A 796 -1.719 -6.258 -2.617 1.00 0.00 H new ATOM 1275 N SER A 797 -6.182 -5.907 -3.500 1.00 0.00 N ATOM 1276 CA SER A 797 -7.636 -5.976 -3.532 1.00 0.00 C ATOM 1277 C SER A 797 -8.206 -5.332 -2.273 1.00 0.00 C ATOM 1278 O SER A 797 -7.459 -4.896 -1.395 1.00 0.00 O ATOM 1279 CB SER A 797 -8.119 -7.434 -3.611 1.00 0.00 C ATOM 1280 OG SER A 797 -8.028 -7.955 -4.928 1.00 0.00 O ATOM 0 H SER A 797 -5.813 -5.431 -2.677 1.00 0.00 H new ATOM 0 HA SER A 797 -7.982 -5.444 -4.418 1.00 0.00 H new ATOM 0 HB2 SER A 797 -7.524 -8.050 -2.936 1.00 0.00 H new ATOM 0 HB3 SER A 797 -9.152 -7.492 -3.269 1.00 0.00 H new ATOM 0 HG SER A 797 -7.458 -7.372 -5.472 1.00 0.00 H new ATOM 1286 N ILE A 798 -9.523 -5.276 -2.199 1.00 0.00 N ATOM 1287 CA ILE A 798 -10.214 -4.734 -1.043 1.00 0.00 C ATOM 1288 C ILE A 798 -11.507 -5.508 -0.858 1.00 0.00 C ATOM 1289 O ILE A 798 -11.934 -6.215 -1.762 1.00 0.00 O ATOM 1290 CB ILE A 798 -10.515 -3.231 -1.226 1.00 0.00 C ATOM 1291 CG1 ILE A 798 -10.778 -2.558 0.119 1.00 0.00 C ATOM 1292 CG2 ILE A 798 -11.717 -3.055 -2.141 1.00 0.00 C ATOM 1293 CD1 ILE A 798 -10.604 -1.053 0.090 1.00 0.00 C ATOM 0 H ILE A 798 -10.144 -5.605 -2.938 1.00 0.00 H new ATOM 0 HA ILE A 798 -9.580 -4.835 -0.162 1.00 0.00 H new ATOM 0 HB ILE A 798 -9.643 -2.757 -1.678 1.00 0.00 H new ATOM 0 HG12 ILE A 798 -11.793 -2.792 0.440 1.00 0.00 H new ATOM 0 HG13 ILE A 798 -10.103 -2.979 0.864 1.00 0.00 H new ATOM 0 HG21 ILE A 798 -11.926 -1.993 -2.267 1.00 0.00 H new ATOM 0 HG22 ILE A 798 -11.503 -3.501 -3.112 1.00 0.00 H new ATOM 0 HG23 ILE A 798 -12.585 -3.545 -1.700 1.00 0.00 H new ATOM 0 HD11 ILE A 798 -10.807 -0.644 1.080 1.00 0.00 H new ATOM 0 HD12 ILE A 798 -9.582 -0.810 -0.200 1.00 0.00 H new ATOM 0 HD13 ILE A 798 -11.298 -0.620 -0.631 1.00 0.00 H new ATOM 1305 N LYS A 799 -12.126 -5.389 0.294 1.00 0.00 N ATOM 1306 CA LYS A 799 -13.324 -6.151 0.572 1.00 0.00 C ATOM 1307 C LYS A 799 -14.390 -5.281 1.209 1.00 0.00 C ATOM 1308 O LYS A 799 -14.177 -4.688 2.264 1.00 0.00 O ATOM 1309 CB LYS A 799 -12.971 -7.331 1.457 1.00 0.00 C ATOM 1310 CG LYS A 799 -14.136 -8.018 2.124 1.00 0.00 C ATOM 1311 CD LYS A 799 -13.787 -8.310 3.573 1.00 0.00 C ATOM 1312 CE LYS A 799 -14.813 -9.183 4.239 1.00 0.00 C ATOM 1313 NZ LYS A 799 -15.947 -8.396 4.796 1.00 0.00 N ATOM 0 H LYS A 799 -11.823 -4.776 1.051 1.00 0.00 H new ATOM 0 HA LYS A 799 -13.737 -6.523 -0.365 1.00 0.00 H new ATOM 0 HB2 LYS A 799 -12.435 -8.065 0.856 1.00 0.00 H new ATOM 0 HB3 LYS A 799 -12.283 -6.989 2.230 1.00 0.00 H new ATOM 0 HG2 LYS A 799 -15.023 -7.387 2.072 1.00 0.00 H new ATOM 0 HG3 LYS A 799 -14.374 -8.945 1.602 1.00 0.00 H new ATOM 0 HD2 LYS A 799 -12.813 -8.797 3.619 1.00 0.00 H new ATOM 0 HD3 LYS A 799 -13.701 -7.371 4.120 1.00 0.00 H new ATOM 0 HE2 LYS A 799 -15.195 -9.906 3.518 1.00 0.00 H new ATOM 0 HE3 LYS A 799 -14.339 -9.751 5.040 1.00 0.00 H new ATOM 0 HZ1 LYS A 799 -16.732 -9.036 5.030 1.00 0.00 H new ATOM 0 HZ2 LYS A 799 -15.636 -7.901 5.656 1.00 0.00 H new ATOM 0 HZ3 LYS A 799 -16.266 -7.700 4.092 1.00 0.00 H new ATOM 1327 N ASP A 800 -15.523 -5.194 0.530 1.00 0.00 N ATOM 1328 CA ASP A 800 -16.687 -4.472 1.026 1.00 0.00 C ATOM 1329 C ASP A 800 -17.201 -5.130 2.292 1.00 0.00 C ATOM 1330 O ASP A 800 -16.935 -6.310 2.533 1.00 0.00 O ATOM 1331 CB ASP A 800 -17.786 -4.465 -0.044 1.00 0.00 C ATOM 1332 CG ASP A 800 -19.032 -3.716 0.384 1.00 0.00 C ATOM 1333 OD1 ASP A 800 -19.095 -2.491 0.177 1.00 0.00 O ATOM 1334 OD2 ASP A 800 -19.958 -4.354 0.926 1.00 0.00 O ATOM 0 H ASP A 800 -15.663 -5.624 -0.385 1.00 0.00 H new ATOM 0 HA ASP A 800 -16.402 -3.444 1.252 1.00 0.00 H new ATOM 0 HB2 ASP A 800 -17.394 -4.014 -0.955 1.00 0.00 H new ATOM 0 HB3 ASP A 800 -18.054 -5.493 -0.287 1.00 0.00 H new ATOM 1339 N SER A 801 -17.960 -4.366 3.073 1.00 0.00 N ATOM 1340 CA SER A 801 -18.451 -4.802 4.369 1.00 0.00 C ATOM 1341 C SER A 801 -19.347 -6.034 4.241 1.00 0.00 C ATOM 1342 O SER A 801 -19.522 -6.778 5.200 1.00 0.00 O ATOM 1343 CB SER A 801 -19.212 -3.656 5.043 1.00 0.00 C ATOM 1344 OG SER A 801 -19.593 -3.989 6.368 1.00 0.00 O ATOM 0 H SER A 801 -18.251 -3.422 2.819 1.00 0.00 H new ATOM 0 HA SER A 801 -17.595 -5.080 4.984 1.00 0.00 H new ATOM 0 HB2 SER A 801 -18.587 -2.763 5.057 1.00 0.00 H new ATOM 0 HB3 SER A 801 -20.100 -3.415 4.458 1.00 0.00 H new ATOM 0 HG SER A 801 -20.075 -3.236 6.769 1.00 0.00 H new ATOM 1350 N THR A 802 -19.889 -6.259 3.048 1.00 0.00 N ATOM 1351 CA THR A 802 -20.725 -7.424 2.794 1.00 0.00 C ATOM 1352 C THR A 802 -19.848 -8.622 2.468 1.00 0.00 C ATOM 1353 O THR A 802 -20.321 -9.748 2.319 1.00 0.00 O ATOM 1354 CB THR A 802 -21.696 -7.170 1.626 1.00 0.00 C ATOM 1355 OG1 THR A 802 -20.964 -6.727 0.473 1.00 0.00 O ATOM 1356 CG2 THR A 802 -22.731 -6.124 2.002 1.00 0.00 C ATOM 0 H THR A 802 -19.763 -5.648 2.241 1.00 0.00 H new ATOM 0 HA THR A 802 -21.310 -7.623 3.692 1.00 0.00 H new ATOM 0 HB THR A 802 -22.211 -8.103 1.398 1.00 0.00 H new ATOM 0 HG1 THR A 802 -20.851 -5.754 0.511 1.00 0.00 H new ATOM 0 HG21 THR A 802 -23.406 -5.961 1.162 1.00 0.00 H new ATOM 0 HG22 THR A 802 -23.302 -6.470 2.864 1.00 0.00 H new ATOM 0 HG23 THR A 802 -22.229 -5.189 2.251 1.00 0.00 H new ATOM 1364 N GLY A 803 -18.558 -8.346 2.373 1.00 0.00 N ATOM 1365 CA GLY A 803 -17.587 -9.345 2.013 1.00 0.00 C ATOM 1366 C GLY A 803 -17.425 -9.436 0.515 1.00 0.00 C ATOM 1367 O GLY A 803 -17.375 -10.527 -0.051 1.00 0.00 O ATOM 0 H GLY A 803 -18.163 -7.422 2.545 1.00 0.00 H new ATOM 0 HA2 GLY A 803 -16.628 -9.105 2.471 1.00 0.00 H new ATOM 0 HA3 GLY A 803 -17.895 -10.313 2.407 1.00 0.00 H new ATOM 1371 N CYS A 804 -17.352 -8.282 -0.132 1.00 0.00 N ATOM 1372 CA CYS A 804 -17.216 -8.242 -1.584 1.00 0.00 C ATOM 1373 C CYS A 804 -15.810 -7.801 -1.961 1.00 0.00 C ATOM 1374 O CYS A 804 -15.451 -6.639 -1.790 1.00 0.00 O ATOM 1375 CB CYS A 804 -18.248 -7.297 -2.204 1.00 0.00 C ATOM 1376 SG CYS A 804 -18.351 -7.388 -4.008 1.00 0.00 S ATOM 0 H CYS A 804 -17.384 -7.368 0.319 1.00 0.00 H new ATOM 0 HA CYS A 804 -17.395 -9.244 -1.974 1.00 0.00 H new ATOM 0 HB2 CYS A 804 -19.228 -7.522 -1.784 1.00 0.00 H new ATOM 0 HB3 CYS A 804 -18.005 -6.274 -1.917 1.00 0.00 H new ATOM 0 HG CYS A 804 -19.252 -6.554 -4.434 1.00 0.00 H new ATOM 1382 N VAL A 805 -15.017 -8.724 -2.472 1.00 0.00 N ATOM 1383 CA VAL A 805 -13.629 -8.433 -2.784 1.00 0.00 C ATOM 1384 C VAL A 805 -13.508 -7.826 -4.176 1.00 0.00 C ATOM 1385 O VAL A 805 -13.741 -8.493 -5.185 1.00 0.00 O ATOM 1386 CB VAL A 805 -12.747 -9.694 -2.691 1.00 0.00 C ATOM 1387 CG1 VAL A 805 -11.278 -9.317 -2.656 1.00 0.00 C ATOM 1388 CG2 VAL A 805 -13.120 -10.526 -1.472 1.00 0.00 C ATOM 0 H VAL A 805 -15.308 -9.679 -2.680 1.00 0.00 H new ATOM 0 HA VAL A 805 -13.276 -7.715 -2.044 1.00 0.00 H new ATOM 0 HB VAL A 805 -12.923 -10.299 -3.580 1.00 0.00 H new ATOM 0 HG11 VAL A 805 -10.672 -10.221 -2.590 1.00 0.00 H new ATOM 0 HG12 VAL A 805 -11.020 -8.773 -3.564 1.00 0.00 H new ATOM 0 HG13 VAL A 805 -11.085 -8.687 -1.788 1.00 0.00 H new ATOM 0 HG21 VAL A 805 -12.485 -11.411 -1.427 1.00 0.00 H new ATOM 0 HG22 VAL A 805 -12.979 -9.932 -0.569 1.00 0.00 H new ATOM 0 HG23 VAL A 805 -14.163 -10.832 -1.546 1.00 0.00 H new ATOM 1398 N VAL A 806 -13.164 -6.549 -4.207 1.00 0.00 N ATOM 1399 CA VAL A 806 -13.015 -5.804 -5.447 1.00 0.00 C ATOM 1400 C VAL A 806 -11.560 -5.810 -5.893 1.00 0.00 C ATOM 1401 O VAL A 806 -10.647 -5.727 -5.065 1.00 0.00 O ATOM 1402 CB VAL A 806 -13.493 -4.345 -5.271 1.00 0.00 C ATOM 1403 CG1 VAL A 806 -13.247 -3.523 -6.531 1.00 0.00 C ATOM 1404 CG2 VAL A 806 -14.965 -4.316 -4.900 1.00 0.00 C ATOM 0 H VAL A 806 -12.979 -5.997 -3.369 1.00 0.00 H new ATOM 0 HA VAL A 806 -13.629 -6.287 -6.207 1.00 0.00 H new ATOM 0 HB VAL A 806 -12.914 -3.897 -4.463 1.00 0.00 H new ATOM 0 HG11 VAL A 806 -13.595 -2.502 -6.373 1.00 0.00 H new ATOM 0 HG12 VAL A 806 -12.181 -3.512 -6.756 1.00 0.00 H new ATOM 0 HG13 VAL A 806 -13.790 -3.966 -7.366 1.00 0.00 H new ATOM 0 HG21 VAL A 806 -15.289 -3.282 -4.779 1.00 0.00 H new ATOM 0 HG22 VAL A 806 -15.549 -4.789 -5.690 1.00 0.00 H new ATOM 0 HG23 VAL A 806 -15.115 -4.855 -3.965 1.00 0.00 H new ATOM 1414 N GLY A 807 -11.350 -5.930 -7.194 1.00 0.00 N ATOM 1415 CA GLY A 807 -10.007 -5.909 -7.733 1.00 0.00 C ATOM 1416 C GLY A 807 -9.473 -4.500 -7.880 1.00 0.00 C ATOM 1417 O GLY A 807 -9.942 -3.724 -8.714 1.00 0.00 O ATOM 0 H GLY A 807 -12.088 -6.042 -7.889 1.00 0.00 H new ATOM 0 HA2 GLY A 807 -9.346 -6.480 -7.081 1.00 0.00 H new ATOM 0 HA3 GLY A 807 -9.999 -6.402 -8.705 1.00 0.00 H new ATOM 1421 N LEU A 808 -8.508 -4.172 -7.041 1.00 0.00 N ATOM 1422 CA LEU A 808 -7.858 -2.889 -7.054 1.00 0.00 C ATOM 1423 C LEU A 808 -6.906 -2.712 -8.222 1.00 0.00 C ATOM 1424 O LEU A 808 -6.022 -3.538 -8.459 1.00 0.00 O ATOM 1425 CB LEU A 808 -7.120 -2.709 -5.742 1.00 0.00 C ATOM 1426 CG LEU A 808 -7.967 -2.095 -4.646 1.00 0.00 C ATOM 1427 CD1 LEU A 808 -9.197 -2.927 -4.373 1.00 0.00 C ATOM 1428 CD2 LEU A 808 -7.157 -1.886 -3.377 1.00 0.00 C ATOM 0 H LEU A 808 -8.154 -4.804 -6.323 1.00 0.00 H new ATOM 0 HA LEU A 808 -8.627 -2.126 -7.175 1.00 0.00 H new ATOM 0 HB2 LEU A 808 -6.753 -3.679 -5.405 1.00 0.00 H new ATOM 0 HB3 LEU A 808 -6.247 -2.079 -5.910 1.00 0.00 H new ATOM 0 HG LEU A 808 -8.298 -1.117 -4.995 1.00 0.00 H new ATOM 0 HD11 LEU A 808 -9.784 -2.460 -3.582 1.00 0.00 H new ATOM 0 HD12 LEU A 808 -9.799 -2.995 -5.279 1.00 0.00 H new ATOM 0 HD13 LEU A 808 -8.898 -3.927 -4.060 1.00 0.00 H new ATOM 0 HD21 LEU A 808 -7.792 -1.444 -2.609 1.00 0.00 H new ATOM 0 HD22 LEU A 808 -6.777 -2.845 -3.026 1.00 0.00 H new ATOM 0 HD23 LEU A 808 -6.321 -1.218 -3.585 1.00 0.00 H new ATOM 1440 N SER A 809 -7.103 -1.632 -8.956 1.00 0.00 N ATOM 1441 CA SER A 809 -6.164 -1.213 -9.975 1.00 0.00 C ATOM 1442 C SER A 809 -6.059 0.306 -9.964 1.00 0.00 C ATOM 1443 O SER A 809 -6.747 1.002 -10.713 1.00 0.00 O ATOM 1444 CB SER A 809 -6.610 -1.714 -11.351 1.00 0.00 C ATOM 1445 OG SER A 809 -6.808 -3.119 -11.336 1.00 0.00 O ATOM 0 H SER A 809 -7.916 -1.024 -8.861 1.00 0.00 H new ATOM 0 HA SER A 809 -5.184 -1.641 -9.764 1.00 0.00 H new ATOM 0 HB2 SER A 809 -7.534 -1.215 -11.643 1.00 0.00 H new ATOM 0 HB3 SER A 809 -5.859 -1.456 -12.098 1.00 0.00 H new ATOM 0 HG SER A 809 -7.094 -3.419 -12.224 1.00 0.00 H new ATOM 1451 N GLN A 810 -5.191 0.806 -9.102 1.00 0.00 N ATOM 1452 CA GLN A 810 -4.974 2.236 -8.948 1.00 0.00 C ATOM 1453 C GLN A 810 -3.495 2.493 -8.623 1.00 0.00 C ATOM 1454 O GLN A 810 -2.764 1.535 -8.368 1.00 0.00 O ATOM 1455 CB GLN A 810 -5.934 2.800 -7.879 1.00 0.00 C ATOM 1456 CG GLN A 810 -7.242 3.322 -8.474 1.00 0.00 C ATOM 1457 CD GLN A 810 -8.317 3.657 -7.446 1.00 0.00 C ATOM 1458 OE1 GLN A 810 -9.510 3.558 -7.731 1.00 0.00 O ATOM 1459 NE2 GLN A 810 -7.919 4.049 -6.247 1.00 0.00 N ATOM 0 H GLN A 810 -4.615 0.231 -8.487 1.00 0.00 H new ATOM 0 HA GLN A 810 -5.197 2.760 -9.877 1.00 0.00 H new ATOM 0 HB2 GLN A 810 -6.157 2.021 -7.150 1.00 0.00 H new ATOM 0 HB3 GLN A 810 -5.437 3.607 -7.341 1.00 0.00 H new ATOM 0 HG2 GLN A 810 -7.028 4.215 -9.061 1.00 0.00 H new ATOM 0 HG3 GLN A 810 -7.636 2.575 -9.163 1.00 0.00 H new ATOM 0 HE21 GLN A 810 -6.923 4.122 -6.039 1.00 0.00 H new ATOM 0 HE22 GLN A 810 -8.608 4.278 -5.531 1.00 0.00 H new ATOM 1468 N PRO A 811 -3.030 3.764 -8.654 1.00 0.00 N ATOM 1469 CA PRO A 811 -1.597 4.107 -8.548 1.00 0.00 C ATOM 1470 C PRO A 811 -0.809 3.349 -7.472 1.00 0.00 C ATOM 1471 O PRO A 811 -1.279 3.131 -6.353 1.00 0.00 O ATOM 1472 CB PRO A 811 -1.623 5.590 -8.202 1.00 0.00 C ATOM 1473 CG PRO A 811 -2.863 6.108 -8.840 1.00 0.00 C ATOM 1474 CD PRO A 811 -3.856 4.976 -8.841 1.00 0.00 C ATOM 0 HA PRO A 811 -1.086 3.840 -9.473 1.00 0.00 H new ATOM 0 HB2 PRO A 811 -1.639 5.744 -7.123 1.00 0.00 H new ATOM 0 HB3 PRO A 811 -0.739 6.101 -8.584 1.00 0.00 H new ATOM 0 HG2 PRO A 811 -3.253 6.964 -8.289 1.00 0.00 H new ATOM 0 HG3 PRO A 811 -2.662 6.447 -9.856 1.00 0.00 H new ATOM 0 HD2 PRO A 811 -4.586 5.087 -8.039 1.00 0.00 H new ATOM 0 HD3 PRO A 811 -4.413 4.937 -9.777 1.00 0.00 H new ATOM 1482 N ASP A 812 0.407 2.967 -7.850 1.00 0.00 N ATOM 1483 CA ASP A 812 1.368 2.316 -6.958 1.00 0.00 C ATOM 1484 C ASP A 812 2.490 3.286 -6.614 1.00 0.00 C ATOM 1485 O ASP A 812 2.612 4.351 -7.224 1.00 0.00 O ATOM 1486 CB ASP A 812 1.973 1.067 -7.600 1.00 0.00 C ATOM 1487 CG ASP A 812 2.657 1.346 -8.924 1.00 0.00 C ATOM 1488 OD1 ASP A 812 3.860 1.677 -8.923 1.00 0.00 O ATOM 1489 OD2 ASP A 812 1.995 1.229 -9.977 1.00 0.00 O ATOM 0 H ASP A 812 0.760 3.102 -8.797 1.00 0.00 H new ATOM 0 HA ASP A 812 0.833 2.018 -6.056 1.00 0.00 H new ATOM 0 HB2 ASP A 812 2.694 0.626 -6.912 1.00 0.00 H new ATOM 0 HB3 ASP A 812 1.186 0.328 -7.754 1.00 0.00 H new ATOM 1494 N ALA A 813 3.291 2.922 -5.630 1.00 0.00 N ATOM 1495 CA ALA A 813 4.415 3.755 -5.204 1.00 0.00 C ATOM 1496 C ALA A 813 5.697 2.943 -5.191 1.00 0.00 C ATOM 1497 O ALA A 813 5.662 1.729 -4.990 1.00 0.00 O ATOM 1498 CB ALA A 813 4.173 4.343 -3.827 1.00 0.00 C ATOM 0 H ALA A 813 3.189 2.053 -5.105 1.00 0.00 H new ATOM 0 HA ALA A 813 4.510 4.573 -5.918 1.00 0.00 H new ATOM 0 HB1 ALA A 813 5.026 4.957 -3.539 1.00 0.00 H new ATOM 0 HB2 ALA A 813 3.273 4.958 -3.847 1.00 0.00 H new ATOM 0 HB3 ALA A 813 4.045 3.537 -3.104 1.00 0.00 H new ATOM 1504 N LYS A 814 6.827 3.597 -5.394 1.00 0.00 N ATOM 1505 CA LYS A 814 8.093 2.898 -5.403 1.00 0.00 C ATOM 1506 C LYS A 814 8.964 3.316 -4.223 1.00 0.00 C ATOM 1507 O LYS A 814 9.208 4.499 -3.986 1.00 0.00 O ATOM 1508 CB LYS A 814 8.835 3.124 -6.716 1.00 0.00 C ATOM 1509 CG LYS A 814 9.739 1.959 -7.075 1.00 0.00 C ATOM 1510 CD LYS A 814 10.512 2.200 -8.361 1.00 0.00 C ATOM 1511 CE LYS A 814 11.559 3.284 -8.186 1.00 0.00 C ATOM 1512 NZ LYS A 814 12.457 3.004 -7.034 1.00 0.00 N ATOM 0 H LYS A 814 6.891 4.602 -5.553 1.00 0.00 H new ATOM 0 HA LYS A 814 7.879 1.834 -5.308 1.00 0.00 H new ATOM 0 HB2 LYS A 814 8.112 3.280 -7.517 1.00 0.00 H new ATOM 0 HB3 LYS A 814 9.431 4.034 -6.642 1.00 0.00 H new ATOM 0 HG2 LYS A 814 10.441 1.783 -6.260 1.00 0.00 H new ATOM 0 HG3 LYS A 814 9.138 1.055 -7.179 1.00 0.00 H new ATOM 0 HD2 LYS A 814 10.994 1.274 -8.676 1.00 0.00 H new ATOM 0 HD3 LYS A 814 9.821 2.485 -9.154 1.00 0.00 H new ATOM 0 HE2 LYS A 814 12.152 3.367 -9.097 1.00 0.00 H new ATOM 0 HE3 LYS A 814 11.066 4.245 -8.037 1.00 0.00 H new ATOM 0 HZ1 LYS A 814 13.190 3.740 -6.978 1.00 0.00 H new ATOM 0 HZ2 LYS A 814 11.902 3.000 -6.154 1.00 0.00 H new ATOM 0 HZ3 LYS A 814 12.908 2.076 -7.163 1.00 0.00 H new ATOM 1526 N ILE A 815 9.427 2.319 -3.501 1.00 0.00 N ATOM 1527 CA ILE A 815 10.260 2.498 -2.327 1.00 0.00 C ATOM 1528 C ILE A 815 11.704 2.115 -2.665 1.00 0.00 C ATOM 1529 O ILE A 815 11.953 1.016 -3.152 1.00 0.00 O ATOM 1530 CB ILE A 815 9.742 1.608 -1.174 1.00 0.00 C ATOM 1531 CG1 ILE A 815 8.352 2.063 -0.711 1.00 0.00 C ATOM 1532 CG2 ILE A 815 10.713 1.593 -0.010 1.00 0.00 C ATOM 1533 CD1 ILE A 815 7.199 1.314 -1.358 1.00 0.00 C ATOM 0 H ILE A 815 9.232 1.341 -3.716 1.00 0.00 H new ATOM 0 HA ILE A 815 10.223 3.542 -2.015 1.00 0.00 H new ATOM 0 HB ILE A 815 9.660 0.590 -1.556 1.00 0.00 H new ATOM 0 HG12 ILE A 815 8.286 1.944 0.370 1.00 0.00 H new ATOM 0 HG13 ILE A 815 8.242 3.127 -0.922 1.00 0.00 H new ATOM 0 HG21 ILE A 815 10.319 0.958 0.784 1.00 0.00 H new ATOM 0 HG22 ILE A 815 11.675 1.203 -0.343 1.00 0.00 H new ATOM 0 HG23 ILE A 815 10.844 2.607 0.368 1.00 0.00 H new ATOM 0 HD11 ILE A 815 6.254 1.699 -0.974 1.00 0.00 H new ATOM 0 HD12 ILE A 815 7.235 1.453 -2.438 1.00 0.00 H new ATOM 0 HD13 ILE A 815 7.279 0.252 -1.126 1.00 0.00 H new ATOM 1545 N GLN A 816 12.644 3.018 -2.432 1.00 0.00 N ATOM 1546 CA GLN A 816 14.039 2.759 -2.755 1.00 0.00 C ATOM 1547 C GLN A 816 14.896 2.719 -1.491 1.00 0.00 C ATOM 1548 O GLN A 816 15.049 3.717 -0.793 1.00 0.00 O ATOM 1549 CB GLN A 816 14.563 3.830 -3.710 1.00 0.00 C ATOM 1550 CG GLN A 816 15.982 3.573 -4.170 1.00 0.00 C ATOM 1551 CD GLN A 816 16.986 4.516 -3.534 1.00 0.00 C ATOM 1552 OE1 GLN A 816 17.311 5.562 -4.088 1.00 0.00 O ATOM 1553 NE2 GLN A 816 17.465 4.166 -2.354 1.00 0.00 N ATOM 0 H GLN A 816 12.467 3.935 -2.021 1.00 0.00 H new ATOM 0 HA GLN A 816 14.101 1.785 -3.240 1.00 0.00 H new ATOM 0 HB2 GLN A 816 13.909 3.883 -4.581 1.00 0.00 H new ATOM 0 HB3 GLN A 816 14.517 4.801 -3.217 1.00 0.00 H new ATOM 0 HG2 GLN A 816 16.255 2.545 -3.933 1.00 0.00 H new ATOM 0 HG3 GLN A 816 16.032 3.674 -5.254 1.00 0.00 H new ATOM 0 HE21 GLN A 816 17.172 3.289 -1.924 1.00 0.00 H new ATOM 0 HE22 GLN A 816 18.128 4.773 -1.872 1.00 0.00 H new ATOM 1562 N VAL A 817 15.479 1.568 -1.221 1.00 0.00 N ATOM 1563 CA VAL A 817 16.320 1.390 -0.047 1.00 0.00 C ATOM 1564 C VAL A 817 17.781 1.239 -0.472 1.00 0.00 C ATOM 1565 O VAL A 817 18.078 0.510 -1.414 1.00 0.00 O ATOM 1566 CB VAL A 817 15.882 0.139 0.743 1.00 0.00 C ATOM 1567 CG1 VAL A 817 16.733 -0.061 1.988 1.00 0.00 C ATOM 1568 CG2 VAL A 817 14.409 0.235 1.103 1.00 0.00 C ATOM 0 H VAL A 817 15.387 0.734 -1.802 1.00 0.00 H new ATOM 0 HA VAL A 817 16.216 2.267 0.591 1.00 0.00 H new ATOM 0 HB VAL A 817 16.030 -0.732 0.105 1.00 0.00 H new ATOM 0 HG11 VAL A 817 16.396 -0.951 2.520 1.00 0.00 H new ATOM 0 HG12 VAL A 817 17.777 -0.184 1.699 1.00 0.00 H new ATOM 0 HG13 VAL A 817 16.636 0.808 2.638 1.00 0.00 H new ATOM 0 HG21 VAL A 817 14.112 -0.654 1.660 1.00 0.00 H new ATOM 0 HG22 VAL A 817 14.241 1.121 1.716 1.00 0.00 H new ATOM 0 HG23 VAL A 817 13.816 0.307 0.192 1.00 0.00 H new ATOM 1578 N ARG A 818 18.688 1.949 0.181 1.00 0.00 N ATOM 1579 CA ARG A 818 20.114 1.788 -0.092 1.00 0.00 C ATOM 1580 C ARG A 818 20.900 1.768 1.202 1.00 0.00 C ATOM 1581 O ARG A 818 20.733 2.634 2.054 1.00 0.00 O ATOM 1582 CB ARG A 818 20.658 2.905 -0.992 1.00 0.00 C ATOM 1583 CG ARG A 818 20.188 2.852 -2.435 1.00 0.00 C ATOM 1584 CD ARG A 818 20.613 1.569 -3.124 1.00 0.00 C ATOM 1585 NE ARG A 818 20.232 1.561 -4.535 1.00 0.00 N ATOM 1586 CZ ARG A 818 19.104 1.028 -4.999 1.00 0.00 C ATOM 1587 NH1 ARG A 818 18.230 0.480 -4.164 1.00 0.00 N ATOM 1588 NH2 ARG A 818 18.845 1.054 -6.298 1.00 0.00 N ATOM 0 H ARG A 818 18.468 2.639 0.900 1.00 0.00 H new ATOM 0 HA ARG A 818 20.232 0.839 -0.615 1.00 0.00 H new ATOM 0 HB2 ARG A 818 20.370 3.866 -0.567 1.00 0.00 H new ATOM 0 HB3 ARG A 818 21.747 2.864 -0.979 1.00 0.00 H new ATOM 0 HG2 ARG A 818 19.102 2.938 -2.466 1.00 0.00 H new ATOM 0 HG3 ARG A 818 20.591 3.706 -2.979 1.00 0.00 H new ATOM 0 HD2 ARG A 818 21.693 1.450 -3.038 1.00 0.00 H new ATOM 0 HD3 ARG A 818 20.158 0.717 -2.619 1.00 0.00 H new ATOM 0 HE ARG A 818 20.870 1.990 -5.205 1.00 0.00 H new ATOM 0 HH11 ARG A 818 18.421 0.466 -3.162 1.00 0.00 H new ATOM 0 HH12 ARG A 818 17.367 0.073 -4.524 1.00 0.00 H new ATOM 0 HH21 ARG A 818 19.510 1.482 -6.942 1.00 0.00 H new ATOM 0 HH22 ARG A 818 17.981 0.646 -6.654 1.00 0.00 H new