USER MOD reduce.3.24.130724 H: found=0, std=0, add=764, rem=0, adj=29 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 724 SER OG : rot 71:sc= 1.26 USER MOD Set 1.2: A 810 GLN : amide:sc= -0.677 K(o=0.58,f=-1.9!) USER MOD Set 2.1: A 754 THR OG1 : rot -107:sc= 1.22 USER MOD Set 2.2: A 797 SER OG : rot 180:sc= 0 USER MOD Set 3.1: A 778 TYR OH : rot 180:sc= 0 USER MOD Set 3.2: A 781 LYS NZ :NH3+ 165:sc= 1.26 (180deg=1.25) USER MOD Single : A 720 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 722 SER OG : rot -14:sc= 0.545 USER MOD Single : A 726 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 728 HIS : no HD1:sc= 0.0126 X(o=0.013,f=-0.44) USER MOD Single : A 729 HIS : no HD1:sc= -0.13 X(o=-0.13,f=0) USER MOD Single : A 732 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 734 CYS SG : rot 180:sc= -1.78! USER MOD Single : A 738 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 739 SER OG : rot 4:sc= -2.2! USER MOD Single : A 740 SER OG : rot 45:sc= 0.0551 USER MOD Single : A 746 LYS NZ :NH3+ -161:sc= -0.0759 (180deg=-0.379) USER MOD Single : A 748 GLN :FLIP amide:sc= 0 F(o=-0.85,f=0) USER MOD Single : A 752 THR OG1 : rot -148:sc= -2.22! USER MOD Single : A 755 TYR OH : rot -39:sc= -0.227 USER MOD Single : A 760 THR OG1 : rot -17:sc= 0.573! USER MOD Single : A 766 LYS NZ :NH3+ -175:sc= 1.1 (180deg=0.977) USER MOD Single : A 767 THR OG1 : rot -23:sc= 1.25 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= 0.0836 K(o=0.084,f=-0.5) USER MOD Single : A 782 THR OG1 : rot -78:sc= -2.82! USER MOD Single : A 786 THR OG1 : rot 180:sc= 0 USER MOD Single : A 787 THR OG1 : rot 180:sc= -0.237 USER MOD Single : A 791 TYR OH : rot -141:sc= 1.2 USER MOD Single : A 794 SER OG : rot 180:sc= -0.409 USER MOD Single : A 799 LYS NZ :NH3+ 135:sc= -0.294 (180deg=-1.35!) USER MOD Single : A 801 SER OG : rot -38:sc= -0.517 USER MOD Single : A 802 THR OG1 : rot -40:sc= 0.53 USER MOD Single : A 804 CYS SG : rot 180:sc= 0 USER MOD Single : A 809 SER OG : rot 180:sc=-0.00452 USER MOD Single : A 814 LYS NZ :NH3+ 164:sc= 1 (180deg=0.757) USER MOD Single : A 816 GLN :FLIP amide:sc= -0.226 F(o=-1.6,f=-0.23) USER MOD ----------------------------------------------------------------- ATOM 41 N LYS A 720 -16.853 1.573 -6.215 1.00 0.00 N ATOM 42 CA LYS A 720 -15.534 1.111 -6.572 1.00 0.00 C ATOM 43 C LYS A 720 -14.553 1.474 -5.476 1.00 0.00 C ATOM 44 O LYS A 720 -13.987 2.563 -5.476 1.00 0.00 O ATOM 45 CB LYS A 720 -15.062 1.715 -7.889 1.00 0.00 C ATOM 46 CG LYS A 720 -15.893 1.324 -9.100 1.00 0.00 C ATOM 47 CD LYS A 720 -15.316 1.919 -10.378 1.00 0.00 C ATOM 48 CE LYS A 720 -13.862 1.512 -10.576 1.00 0.00 C ATOM 49 NZ LYS A 720 -13.305 2.014 -11.858 1.00 0.00 N ATOM 0 HA LYS A 720 -15.582 0.029 -6.693 1.00 0.00 H new ATOM 0 HB2 LYS A 720 -15.067 2.801 -7.797 1.00 0.00 H new ATOM 0 HB3 LYS A 720 -14.029 1.414 -8.062 1.00 0.00 H new ATOM 0 HG2 LYS A 720 -15.929 0.238 -9.185 1.00 0.00 H new ATOM 0 HG3 LYS A 720 -16.919 1.667 -8.967 1.00 0.00 H new ATOM 0 HD2 LYS A 720 -15.907 1.590 -11.233 1.00 0.00 H new ATOM 0 HD3 LYS A 720 -15.389 3.006 -10.340 1.00 0.00 H new ATOM 0 HE2 LYS A 720 -13.264 1.894 -9.748 1.00 0.00 H new ATOM 0 HE3 LYS A 720 -13.785 0.425 -10.550 1.00 0.00 H new ATOM 0 HZ1 LYS A 720 -12.314 1.712 -11.948 1.00 0.00 H new ATOM 0 HZ2 LYS A 720 -13.857 1.629 -12.651 1.00 0.00 H new ATOM 0 HZ3 LYS A 720 -13.353 3.053 -11.874 1.00 0.00 H new ATOM 63 N PRO A 721 -14.364 0.584 -4.509 1.00 0.00 N ATOM 64 CA PRO A 721 -13.430 0.806 -3.429 1.00 0.00 C ATOM 65 C PRO A 721 -12.026 0.358 -3.814 1.00 0.00 C ATOM 66 O PRO A 721 -11.848 -0.661 -4.482 1.00 0.00 O ATOM 67 CB PRO A 721 -14.011 -0.029 -2.294 1.00 0.00 C ATOM 68 CG PRO A 721 -14.829 -1.104 -2.952 1.00 0.00 C ATOM 69 CD PRO A 721 -15.039 -0.715 -4.393 1.00 0.00 C ATOM 0 HA PRO A 721 -13.318 1.856 -3.159 1.00 0.00 H new ATOM 0 HB2 PRO A 721 -13.219 -0.460 -1.681 1.00 0.00 H new ATOM 0 HB3 PRO A 721 -14.627 0.582 -1.635 1.00 0.00 H new ATOM 0 HG2 PRO A 721 -14.318 -2.065 -2.887 1.00 0.00 H new ATOM 0 HG3 PRO A 721 -15.787 -1.218 -2.445 1.00 0.00 H new ATOM 0 HD2 PRO A 721 -14.609 -1.451 -5.072 1.00 0.00 H new ATOM 0 HD3 PRO A 721 -16.099 -0.638 -4.636 1.00 0.00 H new ATOM 77 N SER A 722 -11.038 1.138 -3.406 1.00 0.00 N ATOM 78 CA SER A 722 -9.652 0.947 -3.821 1.00 0.00 C ATOM 79 C SER A 722 -8.738 1.800 -2.942 1.00 0.00 C ATOM 80 O SER A 722 -9.104 2.155 -1.826 1.00 0.00 O ATOM 81 CB SER A 722 -9.485 1.352 -5.292 1.00 0.00 C ATOM 82 OG SER A 722 -10.326 0.600 -6.151 1.00 0.00 O ATOM 0 H SER A 722 -11.173 1.927 -2.774 1.00 0.00 H new ATOM 0 HA SER A 722 -9.384 -0.104 -3.712 1.00 0.00 H new ATOM 0 HB2 SER A 722 -9.709 2.413 -5.403 1.00 0.00 H new ATOM 0 HB3 SER A 722 -8.446 1.213 -5.590 1.00 0.00 H new ATOM 0 HG SER A 722 -10.684 -0.172 -5.665 1.00 0.00 H new ATOM 88 N ALA A 723 -7.548 2.125 -3.430 1.00 0.00 N ATOM 89 CA ALA A 723 -6.660 3.013 -2.708 1.00 0.00 C ATOM 90 C ALA A 723 -5.864 3.867 -3.681 1.00 0.00 C ATOM 91 O ALA A 723 -5.470 3.391 -4.742 1.00 0.00 O ATOM 92 CB ALA A 723 -5.737 2.209 -1.816 1.00 0.00 C ATOM 0 H ALA A 723 -7.181 1.786 -4.319 1.00 0.00 H new ATOM 0 HA ALA A 723 -7.254 3.677 -2.080 1.00 0.00 H new ATOM 0 HB1 ALA A 723 -5.073 2.884 -1.277 1.00 0.00 H new ATOM 0 HB2 ALA A 723 -6.329 1.636 -1.102 1.00 0.00 H new ATOM 0 HB3 ALA A 723 -5.144 1.527 -2.426 1.00 0.00 H new ATOM 98 N SER A 724 -5.630 5.123 -3.330 1.00 0.00 N ATOM 99 CA SER A 724 -4.890 6.023 -4.195 1.00 0.00 C ATOM 100 C SER A 724 -3.788 6.695 -3.397 1.00 0.00 C ATOM 101 O SER A 724 -4.036 7.631 -2.628 1.00 0.00 O ATOM 102 CB SER A 724 -5.828 7.059 -4.826 1.00 0.00 C ATOM 103 OG SER A 724 -7.126 6.987 -4.253 1.00 0.00 O ATOM 0 H SER A 724 -5.942 5.539 -2.453 1.00 0.00 H new ATOM 0 HA SER A 724 -4.438 5.453 -5.007 1.00 0.00 H new ATOM 0 HB2 SER A 724 -5.419 8.059 -4.684 1.00 0.00 H new ATOM 0 HB3 SER A 724 -5.891 6.890 -5.901 1.00 0.00 H new ATOM 0 HG SER A 724 -7.098 7.330 -3.335 1.00 0.00 H new ATOM 109 N LEU A 725 -2.577 6.186 -3.550 1.00 0.00 N ATOM 110 CA LEU A 725 -1.464 6.625 -2.750 1.00 0.00 C ATOM 111 C LEU A 725 -1.151 8.093 -2.974 1.00 0.00 C ATOM 112 O LEU A 725 -1.258 8.617 -4.084 1.00 0.00 O ATOM 113 CB LEU A 725 -0.248 5.781 -3.061 1.00 0.00 C ATOM 114 CG LEU A 725 -0.513 4.282 -3.175 1.00 0.00 C ATOM 115 CD1 LEU A 725 0.791 3.562 -3.310 1.00 0.00 C ATOM 116 CD2 LEU A 725 -1.262 3.757 -1.967 1.00 0.00 C ATOM 0 H LEU A 725 -2.346 5.462 -4.230 1.00 0.00 H new ATOM 0 HA LEU A 725 -1.737 6.505 -1.702 1.00 0.00 H new ATOM 0 HB2 LEU A 725 0.187 6.130 -3.998 1.00 0.00 H new ATOM 0 HB3 LEU A 725 0.497 5.944 -2.283 1.00 0.00 H new ATOM 0 HG LEU A 725 -1.133 4.109 -4.054 1.00 0.00 H new ATOM 0 HD11 LEU A 725 0.608 2.491 -3.392 1.00 0.00 H new ATOM 0 HD12 LEU A 725 1.309 3.911 -4.203 1.00 0.00 H new ATOM 0 HD13 LEU A 725 1.408 3.759 -2.433 1.00 0.00 H new ATOM 0 HD21 LEU A 725 -1.434 2.687 -2.082 1.00 0.00 H new ATOM 0 HD22 LEU A 725 -0.673 3.935 -1.068 1.00 0.00 H new ATOM 0 HD23 LEU A 725 -2.220 4.271 -1.881 1.00 0.00 H new ATOM 128 N LYS A 726 -0.752 8.736 -1.900 1.00 0.00 N ATOM 129 CA LYS A 726 -0.441 10.152 -1.911 1.00 0.00 C ATOM 130 C LYS A 726 1.053 10.338 -2.112 1.00 0.00 C ATOM 131 O LYS A 726 1.517 11.413 -2.487 1.00 0.00 O ATOM 132 CB LYS A 726 -0.879 10.805 -0.604 1.00 0.00 C ATOM 133 CG LYS A 726 -2.296 10.445 -0.199 1.00 0.00 C ATOM 134 CD LYS A 726 -2.818 11.356 0.899 1.00 0.00 C ATOM 135 CE LYS A 726 -3.089 12.753 0.366 1.00 0.00 C ATOM 136 NZ LYS A 726 -3.468 13.703 1.446 1.00 0.00 N ATOM 0 H LYS A 726 -0.633 8.292 -0.989 1.00 0.00 H new ATOM 0 HA LYS A 726 -0.980 10.629 -2.730 1.00 0.00 H new ATOM 0 HB2 LYS A 726 -0.195 10.507 0.190 1.00 0.00 H new ATOM 0 HB3 LYS A 726 -0.801 11.888 -0.703 1.00 0.00 H new ATOM 0 HG2 LYS A 726 -2.950 10.512 -1.068 1.00 0.00 H new ATOM 0 HG3 LYS A 726 -2.325 9.410 0.143 1.00 0.00 H new ATOM 0 HD2 LYS A 726 -3.734 10.939 1.318 1.00 0.00 H new ATOM 0 HD3 LYS A 726 -2.091 11.407 1.710 1.00 0.00 H new ATOM 0 HE2 LYS A 726 -2.201 13.123 -0.146 1.00 0.00 H new ATOM 0 HE3 LYS A 726 -3.888 12.709 -0.374 1.00 0.00 H new ATOM 0 HZ1 LYS A 726 -3.643 14.643 1.036 1.00 0.00 H new ATOM 0 HZ2 LYS A 726 -4.331 13.365 1.919 1.00 0.00 H new ATOM 0 HZ3 LYS A 726 -2.695 13.766 2.139 1.00 0.00 H new ATOM 150 N LEU A 727 1.800 9.274 -1.846 1.00 0.00 N ATOM 151 CA LEU A 727 3.237 9.281 -2.046 1.00 0.00 C ATOM 152 C LEU A 727 3.525 9.142 -3.536 1.00 0.00 C ATOM 153 O LEU A 727 3.292 8.085 -4.119 1.00 0.00 O ATOM 154 CB LEU A 727 3.885 8.124 -1.273 1.00 0.00 C ATOM 155 CG LEU A 727 5.346 8.324 -0.841 1.00 0.00 C ATOM 156 CD1 LEU A 727 6.280 8.352 -2.040 1.00 0.00 C ATOM 157 CD2 LEU A 727 5.493 9.601 -0.024 1.00 0.00 C ATOM 0 H LEU A 727 1.429 8.393 -1.490 1.00 0.00 H new ATOM 0 HA LEU A 727 3.655 10.217 -1.676 1.00 0.00 H new ATOM 0 HB2 LEU A 727 3.288 7.933 -0.381 1.00 0.00 H new ATOM 0 HB3 LEU A 727 3.831 7.228 -1.891 1.00 0.00 H new ATOM 0 HG LEU A 727 5.626 7.475 -0.218 1.00 0.00 H new ATOM 0 HD11 LEU A 727 7.305 8.495 -1.699 1.00 0.00 H new ATOM 0 HD12 LEU A 727 6.206 7.409 -2.581 1.00 0.00 H new ATOM 0 HD13 LEU A 727 6.000 9.172 -2.701 1.00 0.00 H new ATOM 0 HD21 LEU A 727 6.534 9.725 0.273 1.00 0.00 H new ATOM 0 HD22 LEU A 727 5.183 10.455 -0.625 1.00 0.00 H new ATOM 0 HD23 LEU A 727 4.867 9.537 0.866 1.00 0.00 H new ATOM 169 N HIS A 728 4.013 10.204 -4.153 1.00 0.00 N ATOM 170 CA HIS A 728 4.245 10.197 -5.592 1.00 0.00 C ATOM 171 C HIS A 728 5.729 10.344 -5.894 1.00 0.00 C ATOM 172 O HIS A 728 6.126 11.128 -6.754 1.00 0.00 O ATOM 173 CB HIS A 728 3.457 11.324 -6.265 1.00 0.00 C ATOM 174 CG HIS A 728 1.982 11.265 -6.000 1.00 0.00 C ATOM 175 ND1 HIS A 728 1.264 12.327 -5.500 1.00 0.00 N ATOM 176 CD2 HIS A 728 1.093 10.256 -6.160 1.00 0.00 C ATOM 177 CE1 HIS A 728 0.000 11.976 -5.362 1.00 0.00 C ATOM 178 NE2 HIS A 728 -0.132 10.723 -5.755 1.00 0.00 N ATOM 0 H HIS A 728 4.256 11.078 -3.686 1.00 0.00 H new ATOM 0 HA HIS A 728 3.901 9.242 -5.990 1.00 0.00 H new ATOM 0 HB2 HIS A 728 3.842 12.283 -5.918 1.00 0.00 H new ATOM 0 HB3 HIS A 728 3.627 11.283 -7.341 1.00 0.00 H new ATOM 0 HD2 HIS A 728 1.308 9.267 -6.537 1.00 0.00 H new ATOM 0 HE1 HIS A 728 -0.793 12.608 -4.990 1.00 0.00 H new ATOM 0 HE2 HIS A 728 -1.001 10.190 -5.757 1.00 0.00 H new ATOM 187 N HIS A 729 6.541 9.580 -5.183 1.00 0.00 N ATOM 188 CA HIS A 729 7.991 9.662 -5.302 1.00 0.00 C ATOM 189 C HIS A 729 8.634 8.306 -5.053 1.00 0.00 C ATOM 190 O HIS A 729 7.957 7.342 -4.692 1.00 0.00 O ATOM 191 CB HIS A 729 8.551 10.675 -4.323 1.00 0.00 C ATOM 192 CG HIS A 729 8.668 12.067 -4.866 1.00 0.00 C ATOM 193 ND1 HIS A 729 9.869 12.628 -5.242 1.00 0.00 N ATOM 194 CD2 HIS A 729 7.730 13.020 -5.080 1.00 0.00 C ATOM 195 CE1 HIS A 729 9.664 13.862 -5.661 1.00 0.00 C ATOM 196 NE2 HIS A 729 8.375 14.124 -5.574 1.00 0.00 N ATOM 0 H HIS A 729 6.217 8.887 -4.508 1.00 0.00 H new ATOM 0 HA HIS A 729 8.223 9.981 -6.318 1.00 0.00 H new ATOM 0 HB2 HIS A 729 7.915 10.696 -3.438 1.00 0.00 H new ATOM 0 HB3 HIS A 729 9.537 10.341 -3.999 1.00 0.00 H new ATOM 0 HD2 HIS A 729 6.670 12.927 -4.896 1.00 0.00 H new ATOM 0 HE1 HIS A 729 10.424 14.543 -6.015 1.00 0.00 H new ATOM 0 HE2 HIS A 729 7.930 15.005 -5.832 1.00 0.00 H new ATOM 205 N ASP A 730 9.941 8.246 -5.252 1.00 0.00 N ATOM 206 CA ASP A 730 10.715 7.048 -4.968 1.00 0.00 C ATOM 207 C ASP A 730 11.416 7.224 -3.630 1.00 0.00 C ATOM 208 O ASP A 730 12.344 8.025 -3.510 1.00 0.00 O ATOM 209 CB ASP A 730 11.750 6.791 -6.072 1.00 0.00 C ATOM 210 CG ASP A 730 11.130 6.601 -7.446 1.00 0.00 C ATOM 211 OD1 ASP A 730 11.163 5.469 -7.973 1.00 0.00 O ATOM 212 OD2 ASP A 730 10.625 7.591 -8.021 1.00 0.00 O ATOM 0 H ASP A 730 10.494 9.023 -5.614 1.00 0.00 H new ATOM 0 HA ASP A 730 10.044 6.190 -4.929 1.00 0.00 H new ATOM 0 HB2 ASP A 730 12.447 7.628 -6.108 1.00 0.00 H new ATOM 0 HB3 ASP A 730 12.330 5.904 -5.817 1.00 0.00 H new ATOM 217 N LEU A 731 10.954 6.496 -2.628 1.00 0.00 N ATOM 218 CA LEU A 731 11.437 6.653 -1.261 1.00 0.00 C ATOM 219 C LEU A 731 12.848 6.108 -1.089 1.00 0.00 C ATOM 220 O LEU A 731 13.037 4.907 -0.957 1.00 0.00 O ATOM 221 CB LEU A 731 10.477 5.947 -0.305 1.00 0.00 C ATOM 222 CG LEU A 731 9.114 6.613 -0.160 1.00 0.00 C ATOM 223 CD1 LEU A 731 8.259 5.877 0.855 1.00 0.00 C ATOM 224 CD2 LEU A 731 9.269 8.073 0.233 1.00 0.00 C ATOM 0 H LEU A 731 10.235 5.780 -2.735 1.00 0.00 H new ATOM 0 HA LEU A 731 11.475 7.718 -1.033 1.00 0.00 H new ATOM 0 HB2 LEU A 731 10.331 4.923 -0.650 1.00 0.00 H new ATOM 0 HB3 LEU A 731 10.944 5.888 0.678 1.00 0.00 H new ATOM 0 HG LEU A 731 8.611 6.568 -1.126 1.00 0.00 H new ATOM 0 HD11 LEU A 731 7.291 6.371 0.942 1.00 0.00 H new ATOM 0 HD12 LEU A 731 8.113 4.847 0.529 1.00 0.00 H new ATOM 0 HD13 LEU A 731 8.758 5.884 1.824 1.00 0.00 H new ATOM 0 HD21 LEU A 731 8.284 8.530 0.331 1.00 0.00 H new ATOM 0 HD22 LEU A 731 9.797 8.140 1.185 1.00 0.00 H new ATOM 0 HD23 LEU A 731 9.838 8.598 -0.535 1.00 0.00 H new ATOM 236 N LYS A 732 13.829 7.003 -1.082 1.00 0.00 N ATOM 237 CA LYS A 732 15.227 6.614 -0.931 1.00 0.00 C ATOM 238 C LYS A 732 15.554 6.337 0.533 1.00 0.00 C ATOM 239 O LYS A 732 15.393 7.206 1.391 1.00 0.00 O ATOM 240 CB LYS A 732 16.142 7.708 -1.478 1.00 0.00 C ATOM 241 CG LYS A 732 15.803 8.097 -2.904 1.00 0.00 C ATOM 242 CD LYS A 732 15.931 6.919 -3.852 1.00 0.00 C ATOM 243 CE LYS A 732 15.388 7.250 -5.230 1.00 0.00 C ATOM 244 NZ LYS A 732 16.195 8.290 -5.918 1.00 0.00 N ATOM 0 H LYS A 732 13.681 8.008 -1.180 1.00 0.00 H new ATOM 0 HA LYS A 732 15.392 5.699 -1.500 1.00 0.00 H new ATOM 0 HB2 LYS A 732 16.071 8.588 -0.839 1.00 0.00 H new ATOM 0 HB3 LYS A 732 17.176 7.366 -1.435 1.00 0.00 H new ATOM 0 HG2 LYS A 732 14.786 8.487 -2.943 1.00 0.00 H new ATOM 0 HG3 LYS A 732 16.465 8.900 -3.229 1.00 0.00 H new ATOM 0 HD2 LYS A 732 16.978 6.628 -3.933 1.00 0.00 H new ATOM 0 HD3 LYS A 732 15.393 6.063 -3.444 1.00 0.00 H new ATOM 0 HE2 LYS A 732 15.370 6.346 -5.838 1.00 0.00 H new ATOM 0 HE3 LYS A 732 14.358 7.594 -5.139 1.00 0.00 H new ATOM 0 HZ1 LYS A 732 15.787 8.483 -6.855 1.00 0.00 H new ATOM 0 HZ2 LYS A 732 16.192 9.163 -5.352 1.00 0.00 H new ATOM 0 HZ3 LYS A 732 17.173 7.953 -6.029 1.00 0.00 H new ATOM 258 N LEU A 733 16.011 5.123 0.811 1.00 0.00 N ATOM 259 CA LEU A 733 16.246 4.677 2.181 1.00 0.00 C ATOM 260 C LEU A 733 17.659 4.148 2.369 1.00 0.00 C ATOM 261 O LEU A 733 18.404 3.954 1.408 1.00 0.00 O ATOM 262 CB LEU A 733 15.285 3.572 2.577 1.00 0.00 C ATOM 263 CG LEU A 733 13.818 3.804 2.249 1.00 0.00 C ATOM 264 CD1 LEU A 733 13.003 2.611 2.708 1.00 0.00 C ATOM 265 CD2 LEU A 733 13.312 5.081 2.903 1.00 0.00 C ATOM 0 H LEU A 733 16.228 4.424 0.101 1.00 0.00 H new ATOM 0 HA LEU A 733 16.093 5.553 2.811 1.00 0.00 H new ATOM 0 HB2 LEU A 733 15.603 2.651 2.089 1.00 0.00 H new ATOM 0 HB3 LEU A 733 15.374 3.410 3.651 1.00 0.00 H new ATOM 0 HG LEU A 733 13.711 3.918 1.170 1.00 0.00 H new ATOM 0 HD11 LEU A 733 11.952 2.777 2.473 1.00 0.00 H new ATOM 0 HD12 LEU A 733 13.352 1.714 2.197 1.00 0.00 H new ATOM 0 HD13 LEU A 733 13.119 2.484 3.784 1.00 0.00 H new ATOM 0 HD21 LEU A 733 12.261 5.225 2.654 1.00 0.00 H new ATOM 0 HD22 LEU A 733 13.421 5.004 3.985 1.00 0.00 H new ATOM 0 HD23 LEU A 733 13.891 5.930 2.540 1.00 0.00 H new ATOM 277 N CYS A 734 18.007 3.932 3.624 1.00 0.00 N ATOM 278 CA CYS A 734 19.287 3.367 4.009 1.00 0.00 C ATOM 279 C CYS A 734 19.084 1.920 4.440 1.00 0.00 C ATOM 280 O CYS A 734 17.972 1.391 4.364 1.00 0.00 O ATOM 281 CB CYS A 734 19.895 4.189 5.149 1.00 0.00 C ATOM 282 SG CYS A 734 18.788 4.418 6.562 1.00 0.00 S ATOM 0 H CYS A 734 17.400 4.147 4.415 1.00 0.00 H new ATOM 0 HA CYS A 734 19.974 3.393 3.163 1.00 0.00 H new ATOM 0 HB2 CYS A 734 20.807 3.699 5.490 1.00 0.00 H new ATOM 0 HB3 CYS A 734 20.184 5.167 4.764 1.00 0.00 H new ATOM 0 HG CYS A 734 19.389 5.122 7.475 1.00 0.00 H new ATOM 288 N LEU A 735 20.151 1.281 4.881 1.00 0.00 N ATOM 289 CA LEU A 735 20.089 -0.110 5.282 1.00 0.00 C ATOM 290 C LEU A 735 19.330 -0.255 6.587 1.00 0.00 C ATOM 291 O LEU A 735 19.697 0.345 7.593 1.00 0.00 O ATOM 292 CB LEU A 735 21.484 -0.655 5.452 1.00 0.00 C ATOM 293 CG LEU A 735 21.590 -2.132 5.826 1.00 0.00 C ATOM 294 CD1 LEU A 735 20.827 -2.973 4.833 1.00 0.00 C ATOM 295 CD2 LEU A 735 23.049 -2.556 5.884 1.00 0.00 C ATOM 0 H LEU A 735 21.074 1.706 4.970 1.00 0.00 H new ATOM 0 HA LEU A 735 19.568 -0.670 4.506 1.00 0.00 H new ATOM 0 HB2 LEU A 735 22.029 -0.497 4.521 1.00 0.00 H new ATOM 0 HB3 LEU A 735 21.989 -0.070 6.220 1.00 0.00 H new ATOM 0 HG LEU A 735 21.152 -2.281 6.813 1.00 0.00 H new ATOM 0 HD11 LEU A 735 20.909 -4.025 5.108 1.00 0.00 H new ATOM 0 HD12 LEU A 735 19.778 -2.677 4.836 1.00 0.00 H new ATOM 0 HD13 LEU A 735 21.243 -2.826 3.836 1.00 0.00 H new ATOM 0 HD21 LEU A 735 23.111 -3.611 6.152 1.00 0.00 H new ATOM 0 HD22 LEU A 735 23.512 -2.401 4.909 1.00 0.00 H new ATOM 0 HD23 LEU A 735 23.571 -1.960 6.633 1.00 0.00 H new ATOM 307 N GLY A 736 18.278 -1.047 6.567 1.00 0.00 N ATOM 308 CA GLY A 736 17.511 -1.268 7.773 1.00 0.00 C ATOM 309 C GLY A 736 16.554 -0.133 8.061 1.00 0.00 C ATOM 310 O GLY A 736 16.079 0.016 9.186 1.00 0.00 O ATOM 0 H GLY A 736 17.939 -1.541 5.742 1.00 0.00 H new ATOM 0 HA2 GLY A 736 16.950 -2.198 7.679 1.00 0.00 H new ATOM 0 HA3 GLY A 736 18.191 -1.390 8.616 1.00 0.00 H new ATOM 314 N ASP A 737 16.299 0.693 7.058 1.00 0.00 N ATOM 315 CA ASP A 737 15.293 1.752 7.185 1.00 0.00 C ATOM 316 C ASP A 737 13.900 1.220 6.838 1.00 0.00 C ATOM 317 O ASP A 737 13.766 0.221 6.139 1.00 0.00 O ATOM 318 CB ASP A 737 15.608 2.926 6.256 1.00 0.00 C ATOM 319 CG ASP A 737 14.960 4.217 6.726 1.00 0.00 C ATOM 320 OD1 ASP A 737 15.078 5.244 6.024 1.00 0.00 O ATOM 321 OD2 ASP A 737 14.331 4.216 7.806 1.00 0.00 O ATOM 0 H ASP A 737 16.767 0.657 6.152 1.00 0.00 H new ATOM 0 HA ASP A 737 15.313 2.092 8.220 1.00 0.00 H new ATOM 0 HB2 ASP A 737 16.688 3.063 6.199 1.00 0.00 H new ATOM 0 HB3 ASP A 737 15.263 2.693 5.249 1.00 0.00 H new ATOM 326 N HIS A 738 12.870 1.893 7.332 1.00 0.00 N ATOM 327 CA HIS A 738 11.489 1.575 6.980 1.00 0.00 C ATOM 328 C HIS A 738 10.885 2.780 6.267 1.00 0.00 C ATOM 329 O HIS A 738 11.573 3.776 6.056 1.00 0.00 O ATOM 330 CB HIS A 738 10.668 1.208 8.233 1.00 0.00 C ATOM 331 CG HIS A 738 10.191 2.379 9.054 1.00 0.00 C ATOM 332 ND1 HIS A 738 10.985 3.044 9.960 1.00 0.00 N ATOM 333 CD2 HIS A 738 8.977 2.984 9.108 1.00 0.00 C ATOM 334 CE1 HIS A 738 10.285 4.004 10.535 1.00 0.00 C ATOM 335 NE2 HIS A 738 9.064 3.991 10.037 1.00 0.00 N ATOM 0 H HIS A 738 12.965 2.671 7.985 1.00 0.00 H new ATOM 0 HA HIS A 738 11.469 0.708 6.320 1.00 0.00 H new ATOM 0 HB2 HIS A 738 9.801 0.626 7.922 1.00 0.00 H new ATOM 0 HB3 HIS A 738 11.274 0.562 8.868 1.00 0.00 H new ATOM 0 HD2 HIS A 738 8.105 2.722 8.528 1.00 0.00 H new ATOM 0 HE1 HIS A 738 10.651 4.686 11.288 1.00 0.00 H new ATOM 0 HE2 HIS A 738 8.309 4.625 10.299 1.00 0.00 H new ATOM 344 N SER A 739 9.617 2.715 5.899 1.00 0.00 N ATOM 345 CA SER A 739 8.998 3.853 5.229 1.00 0.00 C ATOM 346 C SER A 739 7.558 4.076 5.653 1.00 0.00 C ATOM 347 O SER A 739 6.951 3.250 6.334 1.00 0.00 O ATOM 348 CB SER A 739 9.072 3.696 3.711 1.00 0.00 C ATOM 349 OG SER A 739 10.385 3.919 3.250 1.00 0.00 O ATOM 0 H SER A 739 9.007 1.911 6.046 1.00 0.00 H new ATOM 0 HA SER A 739 9.566 4.732 5.533 1.00 0.00 H new ATOM 0 HB2 SER A 739 8.747 2.695 3.428 1.00 0.00 H new ATOM 0 HB3 SER A 739 8.390 4.399 3.234 1.00 0.00 H new ATOM 0 HG SER A 739 10.980 4.064 4.015 1.00 0.00 H new ATOM 355 N SER A 740 7.037 5.217 5.239 1.00 0.00 N ATOM 356 CA SER A 740 5.669 5.597 5.500 1.00 0.00 C ATOM 357 C SER A 740 5.071 6.227 4.248 1.00 0.00 C ATOM 358 O SER A 740 5.459 7.323 3.839 1.00 0.00 O ATOM 359 CB SER A 740 5.609 6.562 6.684 1.00 0.00 C ATOM 360 OG SER A 740 6.630 7.544 6.591 1.00 0.00 O ATOM 0 H SER A 740 7.562 5.911 4.706 1.00 0.00 H new ATOM 0 HA SER A 740 5.085 4.713 5.758 1.00 0.00 H new ATOM 0 HB2 SER A 740 4.634 7.048 6.713 1.00 0.00 H new ATOM 0 HB3 SER A 740 5.717 6.007 7.616 1.00 0.00 H new ATOM 0 HG SER A 740 6.668 7.890 5.675 1.00 0.00 H new ATOM 366 N VAL A 741 4.157 5.510 3.630 1.00 0.00 N ATOM 367 CA VAL A 741 3.528 5.952 2.403 1.00 0.00 C ATOM 368 C VAL A 741 2.049 6.242 2.643 1.00 0.00 C ATOM 369 O VAL A 741 1.261 5.345 2.936 1.00 0.00 O ATOM 370 CB VAL A 741 3.720 4.913 1.270 1.00 0.00 C ATOM 371 CG1 VAL A 741 3.636 3.496 1.814 1.00 0.00 C ATOM 372 CG2 VAL A 741 2.702 5.108 0.153 1.00 0.00 C ATOM 0 H VAL A 741 3.829 4.604 3.964 1.00 0.00 H new ATOM 0 HA VAL A 741 4.010 6.875 2.082 1.00 0.00 H new ATOM 0 HB VAL A 741 4.714 5.070 0.852 1.00 0.00 H new ATOM 0 HG11 VAL A 741 3.774 2.785 1.000 1.00 0.00 H new ATOM 0 HG12 VAL A 741 4.415 3.347 2.562 1.00 0.00 H new ATOM 0 HG13 VAL A 741 2.659 3.339 2.271 1.00 0.00 H new ATOM 0 HG21 VAL A 741 2.867 4.362 -0.624 1.00 0.00 H new ATOM 0 HG22 VAL A 741 1.695 4.997 0.555 1.00 0.00 H new ATOM 0 HG23 VAL A 741 2.815 6.105 -0.272 1.00 0.00 H new ATOM 382 N PRO A 742 1.669 7.515 2.550 1.00 0.00 N ATOM 383 CA PRO A 742 0.297 7.934 2.760 1.00 0.00 C ATOM 384 C PRO A 742 -0.584 7.586 1.571 1.00 0.00 C ATOM 385 O PRO A 742 -0.185 7.767 0.423 1.00 0.00 O ATOM 386 CB PRO A 742 0.385 9.452 2.956 1.00 0.00 C ATOM 387 CG PRO A 742 1.806 9.849 2.676 1.00 0.00 C ATOM 388 CD PRO A 742 2.549 8.633 2.213 1.00 0.00 C ATOM 0 HA PRO A 742 -0.156 7.430 3.614 1.00 0.00 H new ATOM 0 HB2 PRO A 742 -0.299 9.968 2.283 1.00 0.00 H new ATOM 0 HB3 PRO A 742 0.101 9.727 3.972 1.00 0.00 H new ATOM 0 HG2 PRO A 742 1.840 10.628 1.915 1.00 0.00 H new ATOM 0 HG3 PRO A 742 2.270 10.259 3.573 1.00 0.00 H new ATOM 0 HD2 PRO A 742 2.747 8.673 1.142 1.00 0.00 H new ATOM 0 HD3 PRO A 742 3.514 8.543 2.713 1.00 0.00 H new ATOM 396 N VAL A 743 -1.761 7.053 1.847 1.00 0.00 N ATOM 397 CA VAL A 743 -2.722 6.738 0.803 1.00 0.00 C ATOM 398 C VAL A 743 -4.110 7.273 1.126 1.00 0.00 C ATOM 399 O VAL A 743 -4.720 6.913 2.128 1.00 0.00 O ATOM 400 CB VAL A 743 -2.815 5.227 0.532 1.00 0.00 C ATOM 401 CG1 VAL A 743 -2.862 4.448 1.821 1.00 0.00 C ATOM 402 CG2 VAL A 743 -4.016 4.912 -0.339 1.00 0.00 C ATOM 0 H VAL A 743 -2.076 6.828 2.791 1.00 0.00 H new ATOM 0 HA VAL A 743 -2.351 7.232 -0.095 1.00 0.00 H new ATOM 0 HB VAL A 743 -1.917 4.923 -0.006 1.00 0.00 H new ATOM 0 HG11 VAL A 743 -2.928 3.383 1.600 1.00 0.00 H new ATOM 0 HG12 VAL A 743 -1.958 4.644 2.398 1.00 0.00 H new ATOM 0 HG13 VAL A 743 -3.734 4.753 2.399 1.00 0.00 H new ATOM 0 HG21 VAL A 743 -4.063 3.838 -0.519 1.00 0.00 H new ATOM 0 HG22 VAL A 743 -4.926 5.236 0.165 1.00 0.00 H new ATOM 0 HG23 VAL A 743 -3.923 5.435 -1.291 1.00 0.00 H new ATOM 412 N ALA A 744 -4.596 8.140 0.268 1.00 0.00 N ATOM 413 CA ALA A 744 -5.976 8.557 0.310 1.00 0.00 C ATOM 414 C ALA A 744 -6.792 7.529 -0.439 1.00 0.00 C ATOM 415 O ALA A 744 -6.810 7.480 -1.669 1.00 0.00 O ATOM 416 CB ALA A 744 -6.149 9.950 -0.258 1.00 0.00 C ATOM 0 H ALA A 744 -4.048 8.574 -0.475 1.00 0.00 H new ATOM 0 HA ALA A 744 -6.323 8.614 1.342 1.00 0.00 H new ATOM 0 HB1 ALA A 744 -7.200 10.234 -0.212 1.00 0.00 H new ATOM 0 HB2 ALA A 744 -5.556 10.656 0.324 1.00 0.00 H new ATOM 0 HB3 ALA A 744 -5.815 9.964 -1.295 1.00 0.00 H new ATOM 422 N LEU A 745 -7.430 6.687 0.329 1.00 0.00 N ATOM 423 CA LEU A 745 -8.029 5.478 -0.175 1.00 0.00 C ATOM 424 C LEU A 745 -9.373 5.759 -0.819 1.00 0.00 C ATOM 425 O LEU A 745 -9.980 6.806 -0.589 1.00 0.00 O ATOM 426 CB LEU A 745 -8.169 4.505 0.985 1.00 0.00 C ATOM 427 CG LEU A 745 -6.961 4.500 1.914 1.00 0.00 C ATOM 428 CD1 LEU A 745 -7.389 4.678 3.347 1.00 0.00 C ATOM 429 CD2 LEU A 745 -6.160 3.221 1.752 1.00 0.00 C ATOM 0 H LEU A 745 -7.550 6.822 1.333 1.00 0.00 H new ATOM 0 HA LEU A 745 -7.396 5.045 -0.950 1.00 0.00 H new ATOM 0 HB2 LEU A 745 -9.060 4.760 1.559 1.00 0.00 H new ATOM 0 HB3 LEU A 745 -8.321 3.500 0.591 1.00 0.00 H new ATOM 0 HG LEU A 745 -6.322 5.339 1.640 1.00 0.00 H new ATOM 0 HD11 LEU A 745 -6.511 4.671 3.993 1.00 0.00 H new ATOM 0 HD12 LEU A 745 -7.912 5.628 3.455 1.00 0.00 H new ATOM 0 HD13 LEU A 745 -8.055 3.863 3.632 1.00 0.00 H new ATOM 0 HD21 LEU A 745 -5.303 3.241 2.425 1.00 0.00 H new ATOM 0 HD22 LEU A 745 -6.790 2.364 1.992 1.00 0.00 H new ATOM 0 HD23 LEU A 745 -5.811 3.138 0.723 1.00 0.00 H new ATOM 441 N LYS A 746 -9.822 4.827 -1.631 1.00 0.00 N ATOM 442 CA LYS A 746 -11.088 4.953 -2.308 1.00 0.00 C ATOM 443 C LYS A 746 -12.070 3.944 -1.744 1.00 0.00 C ATOM 444 O LYS A 746 -11.691 2.847 -1.349 1.00 0.00 O ATOM 445 CB LYS A 746 -10.922 4.760 -3.794 1.00 0.00 C ATOM 446 CG LYS A 746 -12.200 5.006 -4.575 1.00 0.00 C ATOM 447 CD LYS A 746 -11.985 4.843 -6.065 1.00 0.00 C ATOM 448 CE LYS A 746 -11.259 6.034 -6.670 1.00 0.00 C ATOM 449 NZ LYS A 746 -12.066 7.281 -6.586 1.00 0.00 N ATOM 0 H LYS A 746 -9.319 3.964 -1.838 1.00 0.00 H new ATOM 0 HA LYS A 746 -11.477 5.958 -2.144 1.00 0.00 H new ATOM 0 HB2 LYS A 746 -10.146 5.434 -4.157 1.00 0.00 H new ATOM 0 HB3 LYS A 746 -10.576 3.744 -3.986 1.00 0.00 H new ATOM 0 HG2 LYS A 746 -12.971 4.312 -4.240 1.00 0.00 H new ATOM 0 HG3 LYS A 746 -12.565 6.012 -4.368 1.00 0.00 H new ATOM 0 HD2 LYS A 746 -11.410 3.936 -6.251 1.00 0.00 H new ATOM 0 HD3 LYS A 746 -12.949 4.717 -6.559 1.00 0.00 H new ATOM 0 HE2 LYS A 746 -10.310 6.181 -6.153 1.00 0.00 H new ATOM 0 HE3 LYS A 746 -11.025 5.824 -7.713 1.00 0.00 H new ATOM 0 HZ1 LYS A 746 -11.703 7.976 -7.270 1.00 0.00 H new ATOM 0 HZ2 LYS A 746 -13.060 7.067 -6.804 1.00 0.00 H new ATOM 0 HZ3 LYS A 746 -11.999 7.674 -5.625 1.00 0.00 H new ATOM 463 N GLY A 747 -13.319 4.320 -1.704 1.00 0.00 N ATOM 464 CA GLY A 747 -14.325 3.464 -1.119 1.00 0.00 C ATOM 465 C GLY A 747 -14.627 3.892 0.292 1.00 0.00 C ATOM 466 O GLY A 747 -13.738 3.934 1.131 1.00 0.00 O ATOM 0 H GLY A 747 -13.667 5.208 -2.066 1.00 0.00 H new ATOM 0 HA2 GLY A 747 -15.235 3.500 -1.719 1.00 0.00 H new ATOM 0 HA3 GLY A 747 -13.980 2.430 -1.125 1.00 0.00 H new ATOM 470 N GLN A 748 -15.878 4.190 0.565 1.00 0.00 N ATOM 471 CA GLN A 748 -16.233 4.832 1.821 1.00 0.00 C ATOM 472 C GLN A 748 -16.909 3.863 2.780 1.00 0.00 C ATOM 473 O GLN A 748 -17.873 3.177 2.426 1.00 0.00 O ATOM 474 CB GLN A 748 -17.105 6.070 1.584 1.00 0.00 C ATOM 475 CG GLN A 748 -18.025 5.988 0.368 1.00 0.00 C ATOM 476 CD GLN A 748 -17.450 6.698 -0.853 1.00 0.00 C ATOM 477 OE1 GLN A 748 -16.748 5.967 -1.710 1.00 0.00 O flip ATOM 478 NE2 GLN A 748 -17.650 7.900 -1.037 1.00 0.00 N flip ATOM 0 H GLN A 748 -16.664 4.002 -0.057 1.00 0.00 H new ATOM 0 HA GLN A 748 -15.304 5.158 2.289 1.00 0.00 H new ATOM 0 HB2 GLN A 748 -17.715 6.242 2.471 1.00 0.00 H new ATOM 0 HB3 GLN A 748 -16.455 6.938 1.471 1.00 0.00 H new ATOM 0 HG2 GLN A 748 -18.205 4.941 0.123 1.00 0.00 H new ATOM 0 HG3 GLN A 748 -18.991 6.428 0.618 1.00 0.00 H new ATOM 0 HE21 GLN A 748 -18.194 8.436 -0.360 1.00 0.00 H new ATOM 0 HE22 GLN A 748 -17.272 8.359 -1.866 1.00 0.00 H new ATOM 487 N GLY A 749 -16.384 3.824 3.996 1.00 0.00 N ATOM 488 CA GLY A 749 -16.839 2.884 4.997 1.00 0.00 C ATOM 489 C GLY A 749 -15.801 1.829 5.258 1.00 0.00 C ATOM 490 O GLY A 749 -14.740 1.865 4.656 1.00 0.00 O ATOM 0 H GLY A 749 -15.635 4.441 4.310 1.00 0.00 H new ATOM 0 HA2 GLY A 749 -17.064 3.414 5.922 1.00 0.00 H new ATOM 0 HA3 GLY A 749 -17.765 2.414 4.665 1.00 0.00 H new ATOM 494 N PRO A 750 -16.089 0.871 6.143 1.00 0.00 N ATOM 495 CA PRO A 750 -15.154 -0.200 6.506 1.00 0.00 C ATOM 496 C PRO A 750 -14.834 -1.157 5.356 1.00 0.00 C ATOM 497 O PRO A 750 -15.616 -2.057 5.033 1.00 0.00 O ATOM 498 CB PRO A 750 -15.912 -0.918 7.618 1.00 0.00 C ATOM 499 CG PRO A 750 -17.328 -0.686 7.277 1.00 0.00 C ATOM 500 CD PRO A 750 -17.357 0.740 6.878 1.00 0.00 C ATOM 0 HA PRO A 750 -14.176 0.187 6.792 1.00 0.00 H new ATOM 0 HB2 PRO A 750 -15.675 -1.982 7.643 1.00 0.00 H new ATOM 0 HB3 PRO A 750 -15.664 -0.513 8.599 1.00 0.00 H new ATOM 0 HG2 PRO A 750 -17.658 -1.336 6.467 1.00 0.00 H new ATOM 0 HG3 PRO A 750 -17.983 -0.879 8.127 1.00 0.00 H new ATOM 0 HD2 PRO A 750 -18.219 0.972 6.252 1.00 0.00 H new ATOM 0 HD3 PRO A 750 -17.401 1.405 7.740 1.00 0.00 H new ATOM 508 N PHE A 751 -13.676 -0.954 4.747 1.00 0.00 N ATOM 509 CA PHE A 751 -13.198 -1.819 3.678 1.00 0.00 C ATOM 510 C PHE A 751 -11.905 -2.518 4.086 1.00 0.00 C ATOM 511 O PHE A 751 -11.101 -1.958 4.824 1.00 0.00 O ATOM 512 CB PHE A 751 -12.962 -1.007 2.404 1.00 0.00 C ATOM 513 CG PHE A 751 -14.228 -0.569 1.725 1.00 0.00 C ATOM 514 CD1 PHE A 751 -14.756 0.692 1.934 1.00 0.00 C ATOM 515 CD2 PHE A 751 -14.892 -1.431 0.874 1.00 0.00 C ATOM 516 CE1 PHE A 751 -15.922 1.079 1.307 1.00 0.00 C ATOM 517 CE2 PHE A 751 -16.057 -1.047 0.245 1.00 0.00 C ATOM 518 CZ PHE A 751 -16.572 0.209 0.462 1.00 0.00 C ATOM 0 H PHE A 751 -13.043 -0.188 4.978 1.00 0.00 H new ATOM 0 HA PHE A 751 -13.961 -2.574 3.487 1.00 0.00 H new ATOM 0 HB2 PHE A 751 -12.368 -0.126 2.650 1.00 0.00 H new ATOM 0 HB3 PHE A 751 -12.374 -1.604 1.707 1.00 0.00 H new ATOM 0 HD1 PHE A 751 -14.250 1.381 2.595 1.00 0.00 H new ATOM 0 HD2 PHE A 751 -14.493 -2.419 0.699 1.00 0.00 H new ATOM 0 HE1 PHE A 751 -16.325 2.066 1.479 1.00 0.00 H new ATOM 0 HE2 PHE A 751 -16.565 -1.732 -0.418 1.00 0.00 H new ATOM 0 HZ PHE A 751 -17.485 0.512 -0.030 1.00 0.00 H new ATOM 528 N THR A 752 -11.703 -3.742 3.616 1.00 0.00 N ATOM 529 CA THR A 752 -10.457 -4.443 3.888 1.00 0.00 C ATOM 530 C THR A 752 -9.461 -4.123 2.795 1.00 0.00 C ATOM 531 O THR A 752 -9.595 -4.590 1.668 1.00 0.00 O ATOM 532 CB THR A 752 -10.639 -5.966 4.003 1.00 0.00 C ATOM 533 OG1 THR A 752 -11.657 -6.268 4.965 1.00 0.00 O ATOM 534 CG2 THR A 752 -9.340 -6.639 4.414 1.00 0.00 C ATOM 0 H THR A 752 -12.375 -4.263 3.053 1.00 0.00 H new ATOM 0 HA THR A 752 -10.091 -4.099 4.855 1.00 0.00 H new ATOM 0 HB THR A 752 -10.935 -6.346 3.025 1.00 0.00 H new ATOM 0 HG1 THR A 752 -11.448 -7.117 5.407 1.00 0.00 H new ATOM 0 HG21 THR A 752 -9.495 -7.715 4.488 1.00 0.00 H new ATOM 0 HG22 THR A 752 -8.572 -6.434 3.668 1.00 0.00 H new ATOM 0 HG23 THR A 752 -9.019 -6.251 5.381 1.00 0.00 H new ATOM 542 N LEU A 753 -8.482 -3.307 3.134 1.00 0.00 N ATOM 543 CA LEU A 753 -7.550 -2.787 2.162 1.00 0.00 C ATOM 544 C LEU A 753 -6.275 -3.627 2.147 1.00 0.00 C ATOM 545 O LEU A 753 -5.504 -3.633 3.108 1.00 0.00 O ATOM 546 CB LEU A 753 -7.249 -1.327 2.501 1.00 0.00 C ATOM 547 CG LEU A 753 -6.620 -0.486 1.391 1.00 0.00 C ATOM 548 CD1 LEU A 753 -5.168 -0.202 1.709 1.00 0.00 C ATOM 549 CD2 LEU A 753 -6.752 -1.156 0.028 1.00 0.00 C ATOM 0 H LEU A 753 -8.313 -2.989 4.088 1.00 0.00 H new ATOM 0 HA LEU A 753 -7.985 -2.837 1.164 1.00 0.00 H new ATOM 0 HB2 LEU A 753 -8.180 -0.849 2.806 1.00 0.00 H new ATOM 0 HB3 LEU A 753 -6.583 -1.307 3.363 1.00 0.00 H new ATOM 0 HG LEU A 753 -7.163 0.458 1.341 1.00 0.00 H new ATOM 0 HD11 LEU A 753 -4.731 0.398 0.911 1.00 0.00 H new ATOM 0 HD12 LEU A 753 -5.102 0.343 2.650 1.00 0.00 H new ATOM 0 HD13 LEU A 753 -4.624 -1.142 1.795 1.00 0.00 H new ATOM 0 HD21 LEU A 753 -6.292 -0.526 -0.733 1.00 0.00 H new ATOM 0 HD22 LEU A 753 -6.251 -2.124 0.048 1.00 0.00 H new ATOM 0 HD23 LEU A 753 -7.807 -1.298 -0.207 1.00 0.00 H new ATOM 561 N THR A 754 -6.078 -4.346 1.054 1.00 0.00 N ATOM 562 CA THR A 754 -4.931 -5.222 0.899 1.00 0.00 C ATOM 563 C THR A 754 -3.940 -4.662 -0.118 1.00 0.00 C ATOM 564 O THR A 754 -4.337 -4.180 -1.185 1.00 0.00 O ATOM 565 CB THR A 754 -5.368 -6.606 0.418 1.00 0.00 C ATOM 566 OG1 THR A 754 -6.629 -6.968 1.004 1.00 0.00 O ATOM 567 CG2 THR A 754 -4.317 -7.616 0.803 1.00 0.00 C ATOM 0 H THR A 754 -6.708 -4.338 0.252 1.00 0.00 H new ATOM 0 HA THR A 754 -4.454 -5.295 1.876 1.00 0.00 H new ATOM 0 HB THR A 754 -5.485 -6.588 -0.666 1.00 0.00 H new ATOM 0 HG1 THR A 754 -6.487 -7.659 1.684 1.00 0.00 H new ATOM 0 HG21 THR A 754 -4.622 -8.606 0.463 1.00 0.00 H new ATOM 0 HG22 THR A 754 -3.368 -7.349 0.338 1.00 0.00 H new ATOM 0 HG23 THR A 754 -4.200 -7.624 1.887 1.00 0.00 H new ATOM 575 N TYR A 755 -2.654 -4.739 0.204 1.00 0.00 N ATOM 576 CA TYR A 755 -1.613 -4.301 -0.710 1.00 0.00 C ATOM 577 C TYR A 755 -0.349 -5.133 -0.535 1.00 0.00 C ATOM 578 O TYR A 755 -0.121 -5.723 0.524 1.00 0.00 O ATOM 579 CB TYR A 755 -1.295 -2.817 -0.503 1.00 0.00 C ATOM 580 CG TYR A 755 -0.998 -2.441 0.933 1.00 0.00 C ATOM 581 CD1 TYR A 755 0.262 -2.632 1.484 1.00 0.00 C ATOM 582 CD2 TYR A 755 -1.984 -1.887 1.734 1.00 0.00 C ATOM 583 CE1 TYR A 755 0.526 -2.280 2.793 1.00 0.00 C ATOM 584 CE2 TYR A 755 -1.730 -1.535 3.043 1.00 0.00 C ATOM 585 CZ TYR A 755 -0.471 -1.734 3.568 1.00 0.00 C ATOM 586 OH TYR A 755 -0.207 -1.379 4.870 1.00 0.00 O ATOM 0 H TYR A 755 -2.310 -5.102 1.093 1.00 0.00 H new ATOM 0 HA TYR A 755 -1.984 -4.441 -1.725 1.00 0.00 H new ATOM 0 HB2 TYR A 755 -0.438 -2.551 -1.121 1.00 0.00 H new ATOM 0 HB3 TYR A 755 -2.139 -2.223 -0.855 1.00 0.00 H new ATOM 0 HD1 TYR A 755 1.047 -3.062 0.880 1.00 0.00 H new ATOM 0 HD2 TYR A 755 -2.971 -1.728 1.325 1.00 0.00 H new ATOM 0 HE1 TYR A 755 1.512 -2.433 3.207 1.00 0.00 H new ATOM 0 HE2 TYR A 755 -2.512 -1.106 3.652 1.00 0.00 H new ATOM 0 HH TYR A 755 0.379 -2.049 5.279 1.00 0.00 H new ATOM 596 N ASP A 756 0.466 -5.167 -1.576 1.00 0.00 N ATOM 597 CA ASP A 756 1.723 -5.896 -1.546 1.00 0.00 C ATOM 598 C ASP A 756 2.875 -4.983 -1.912 1.00 0.00 C ATOM 599 O ASP A 756 2.889 -4.363 -2.978 1.00 0.00 O ATOM 600 CB ASP A 756 1.686 -7.111 -2.481 1.00 0.00 C ATOM 601 CG ASP A 756 1.115 -8.340 -1.798 1.00 0.00 C ATOM 602 OD1 ASP A 756 1.887 -9.286 -1.540 1.00 0.00 O ATOM 603 OD2 ASP A 756 -0.097 -8.381 -1.529 1.00 0.00 O ATOM 0 H ASP A 756 0.277 -4.694 -2.460 1.00 0.00 H new ATOM 0 HA ASP A 756 1.873 -6.260 -0.529 1.00 0.00 H new ATOM 0 HB2 ASP A 756 1.086 -6.874 -3.360 1.00 0.00 H new ATOM 0 HB3 ASP A 756 2.695 -7.328 -2.833 1.00 0.00 H new ATOM 608 N ILE A 757 3.821 -4.880 -0.998 1.00 0.00 N ATOM 609 CA ILE A 757 5.058 -4.179 -1.248 1.00 0.00 C ATOM 610 C ILE A 757 5.999 -5.139 -1.952 1.00 0.00 C ATOM 611 O ILE A 757 6.661 -5.961 -1.321 1.00 0.00 O ATOM 612 CB ILE A 757 5.707 -3.662 0.058 1.00 0.00 C ATOM 613 CG1 ILE A 757 4.822 -2.622 0.711 1.00 0.00 C ATOM 614 CG2 ILE A 757 7.053 -3.048 -0.229 1.00 0.00 C ATOM 615 CD1 ILE A 757 3.680 -3.191 1.525 1.00 0.00 C ATOM 0 H ILE A 757 3.750 -5.281 -0.063 1.00 0.00 H new ATOM 0 HA ILE A 757 4.854 -3.304 -1.865 1.00 0.00 H new ATOM 0 HB ILE A 757 5.831 -4.510 0.731 1.00 0.00 H new ATOM 0 HG12 ILE A 757 5.436 -1.996 1.358 1.00 0.00 H new ATOM 0 HG13 ILE A 757 4.412 -1.974 -0.064 1.00 0.00 H new ATOM 0 HG21 ILE A 757 7.495 -2.690 0.701 1.00 0.00 H new ATOM 0 HG22 ILE A 757 7.706 -3.797 -0.677 1.00 0.00 H new ATOM 0 HG23 ILE A 757 6.932 -2.213 -0.919 1.00 0.00 H new ATOM 0 HD11 ILE A 757 3.099 -2.376 1.956 1.00 0.00 H new ATOM 0 HD12 ILE A 757 3.039 -3.793 0.881 1.00 0.00 H new ATOM 0 HD13 ILE A 757 4.079 -3.815 2.325 1.00 0.00 H new ATOM 627 N ILE A 758 6.034 -5.044 -3.264 1.00 0.00 N ATOM 628 CA ILE A 758 6.669 -6.057 -4.075 1.00 0.00 C ATOM 629 C ILE A 758 8.112 -5.716 -4.394 1.00 0.00 C ATOM 630 O ILE A 758 8.481 -4.546 -4.505 1.00 0.00 O ATOM 631 CB ILE A 758 5.868 -6.290 -5.372 1.00 0.00 C ATOM 632 CG1 ILE A 758 5.844 -5.049 -6.257 1.00 0.00 C ATOM 633 CG2 ILE A 758 4.448 -6.686 -5.021 1.00 0.00 C ATOM 634 CD1 ILE A 758 6.898 -5.042 -7.345 1.00 0.00 C ATOM 0 H ILE A 758 5.628 -4.272 -3.792 1.00 0.00 H new ATOM 0 HA ILE A 758 6.678 -6.978 -3.492 1.00 0.00 H new ATOM 0 HB ILE A 758 6.359 -7.088 -5.930 1.00 0.00 H new ATOM 0 HG12 ILE A 758 4.860 -4.965 -6.719 1.00 0.00 H new ATOM 0 HG13 ILE A 758 5.978 -4.167 -5.631 1.00 0.00 H new ATOM 0 HG21 ILE A 758 3.880 -6.851 -5.936 1.00 0.00 H new ATOM 0 HG22 ILE A 758 4.461 -7.603 -4.431 1.00 0.00 H new ATOM 0 HG23 ILE A 758 3.981 -5.889 -4.442 1.00 0.00 H new ATOM 0 HD11 ILE A 758 6.812 -4.125 -7.929 1.00 0.00 H new ATOM 0 HD12 ILE A 758 7.888 -5.093 -6.893 1.00 0.00 H new ATOM 0 HD13 ILE A 758 6.753 -5.903 -7.998 1.00 0.00 H new ATOM 646 N GLU A 759 8.925 -6.751 -4.522 1.00 0.00 N ATOM 647 CA GLU A 759 10.305 -6.583 -4.906 1.00 0.00 C ATOM 648 C GLU A 759 10.427 -6.609 -6.409 1.00 0.00 C ATOM 649 O GLU A 759 10.122 -7.616 -7.043 1.00 0.00 O ATOM 650 CB GLU A 759 11.178 -7.690 -4.338 1.00 0.00 C ATOM 651 CG GLU A 759 11.193 -7.763 -2.832 1.00 0.00 C ATOM 652 CD GLU A 759 12.482 -8.361 -2.308 1.00 0.00 C ATOM 653 OE1 GLU A 759 13.001 -7.881 -1.280 1.00 0.00 O ATOM 654 OE2 GLU A 759 12.985 -9.318 -2.933 1.00 0.00 O ATOM 0 H GLU A 759 8.646 -7.719 -4.363 1.00 0.00 H new ATOM 0 HA GLU A 759 10.640 -5.625 -4.510 1.00 0.00 H new ATOM 0 HB2 GLU A 759 10.833 -8.646 -4.732 1.00 0.00 H new ATOM 0 HB3 GLU A 759 12.199 -7.549 -4.693 1.00 0.00 H new ATOM 0 HG2 GLU A 759 11.063 -6.763 -2.419 1.00 0.00 H new ATOM 0 HG3 GLU A 759 10.349 -8.362 -2.489 1.00 0.00 H new ATOM 661 N THR A 760 10.883 -5.517 -6.977 1.00 0.00 N ATOM 662 CA THR A 760 11.106 -5.472 -8.403 1.00 0.00 C ATOM 663 C THR A 760 12.564 -5.809 -8.694 1.00 0.00 C ATOM 664 O THR A 760 12.978 -5.932 -9.846 1.00 0.00 O ATOM 665 CB THR A 760 10.699 -4.101 -8.994 1.00 0.00 C ATOM 666 OG1 THR A 760 11.210 -3.928 -10.324 1.00 0.00 O ATOM 667 CG2 THR A 760 11.157 -2.963 -8.099 1.00 0.00 C ATOM 0 H THR A 760 11.105 -4.655 -6.479 1.00 0.00 H new ATOM 0 HA THR A 760 10.474 -6.215 -8.889 1.00 0.00 H new ATOM 0 HB THR A 760 9.610 -4.082 -9.047 1.00 0.00 H new ATOM 0 HG1 THR A 760 11.925 -4.578 -10.487 1.00 0.00 H new ATOM 0 HG21 THR A 760 10.858 -2.011 -8.538 1.00 0.00 H new ATOM 0 HG22 THR A 760 10.700 -3.068 -7.115 1.00 0.00 H new ATOM 0 HG23 THR A 760 12.242 -2.992 -8.000 1.00 0.00 H new ATOM 739 N ARG A 765 8.275 -10.079 -2.315 1.00 0.00 N ATOM 740 CA ARG A 765 7.062 -9.285 -2.215 1.00 0.00 C ATOM 741 C ARG A 765 6.373 -9.512 -0.866 1.00 0.00 C ATOM 742 O ARG A 765 6.154 -10.653 -0.449 1.00 0.00 O ATOM 743 CB ARG A 765 6.139 -9.644 -3.388 1.00 0.00 C ATOM 744 CG ARG A 765 4.659 -9.594 -3.071 1.00 0.00 C ATOM 745 CD ARG A 765 3.820 -9.850 -4.316 1.00 0.00 C ATOM 746 NE ARG A 765 2.393 -9.895 -4.023 1.00 0.00 N ATOM 747 CZ ARG A 765 1.434 -9.972 -4.945 1.00 0.00 C ATOM 748 NH1 ARG A 765 1.744 -10.013 -6.236 1.00 0.00 N ATOM 749 NH2 ARG A 765 0.159 -9.993 -4.572 1.00 0.00 N ATOM 0 HA ARG A 765 7.309 -8.225 -2.270 1.00 0.00 H new ATOM 0 HB2 ARG A 765 6.342 -8.962 -4.214 1.00 0.00 H new ATOM 0 HB3 ARG A 765 6.388 -10.647 -3.734 1.00 0.00 H new ATOM 0 HG2 ARG A 765 4.422 -10.338 -2.310 1.00 0.00 H new ATOM 0 HG3 ARG A 765 4.407 -8.619 -2.653 1.00 0.00 H new ATOM 0 HD2 ARG A 765 4.013 -9.067 -5.049 1.00 0.00 H new ATOM 0 HD3 ARG A 765 4.125 -10.793 -4.769 1.00 0.00 H new ATOM 0 HE ARG A 765 2.109 -9.865 -3.044 1.00 0.00 H new ATOM 0 HH11 ARG A 765 2.721 -9.986 -6.527 1.00 0.00 H new ATOM 0 HH12 ARG A 765 1.005 -10.072 -6.936 1.00 0.00 H new ATOM 0 HH21 ARG A 765 -0.084 -9.950 -3.582 1.00 0.00 H new ATOM 0 HH22 ARG A 765 -0.577 -10.052 -5.275 1.00 0.00 H new ATOM 763 N LYS A 766 6.043 -8.421 -0.192 1.00 0.00 N ATOM 764 CA LYS A 766 5.470 -8.477 1.136 1.00 0.00 C ATOM 765 C LYS A 766 3.994 -8.129 1.074 1.00 0.00 C ATOM 766 O LYS A 766 3.593 -7.233 0.356 1.00 0.00 O ATOM 767 CB LYS A 766 6.212 -7.511 2.064 1.00 0.00 C ATOM 768 CG LYS A 766 5.914 -7.731 3.542 1.00 0.00 C ATOM 769 CD LYS A 766 4.694 -6.958 4.011 1.00 0.00 C ATOM 770 CE LYS A 766 4.403 -7.231 5.476 1.00 0.00 C ATOM 771 NZ LYS A 766 3.993 -8.640 5.713 1.00 0.00 N ATOM 0 H LYS A 766 6.166 -7.475 -0.553 1.00 0.00 H new ATOM 0 HA LYS A 766 5.573 -9.487 1.532 1.00 0.00 H new ATOM 0 HB2 LYS A 766 7.284 -7.615 1.899 1.00 0.00 H new ATOM 0 HB3 LYS A 766 5.946 -6.488 1.797 1.00 0.00 H new ATOM 0 HG2 LYS A 766 5.758 -8.794 3.723 1.00 0.00 H new ATOM 0 HG3 LYS A 766 6.780 -7.430 4.132 1.00 0.00 H new ATOM 0 HD2 LYS A 766 4.857 -5.891 3.862 1.00 0.00 H new ATOM 0 HD3 LYS A 766 3.830 -7.236 3.408 1.00 0.00 H new ATOM 0 HE2 LYS A 766 5.290 -7.008 6.069 1.00 0.00 H new ATOM 0 HE3 LYS A 766 3.614 -6.562 5.819 1.00 0.00 H new ATOM 0 HZ1 LYS A 766 3.723 -8.760 6.710 1.00 0.00 H new ATOM 0 HZ2 LYS A 766 3.182 -8.873 5.104 1.00 0.00 H new ATOM 0 HZ3 LYS A 766 4.786 -9.275 5.490 1.00 0.00 H new ATOM 785 N THR A 767 3.206 -8.831 1.845 1.00 0.00 N ATOM 786 CA THR A 767 1.761 -8.660 1.821 1.00 0.00 C ATOM 787 C THR A 767 1.262 -8.032 3.121 1.00 0.00 C ATOM 788 O THR A 767 1.688 -8.427 4.208 1.00 0.00 O ATOM 789 CB THR A 767 1.071 -10.025 1.633 1.00 0.00 C ATOM 790 OG1 THR A 767 1.659 -10.724 0.527 1.00 0.00 O ATOM 791 CG2 THR A 767 -0.425 -9.860 1.401 1.00 0.00 C ATOM 0 H THR A 767 3.536 -9.535 2.506 1.00 0.00 H new ATOM 0 HA THR A 767 1.517 -7.999 0.989 1.00 0.00 H new ATOM 0 HB THR A 767 1.213 -10.603 2.546 1.00 0.00 H new ATOM 0 HG1 THR A 767 2.083 -10.081 -0.078 1.00 0.00 H new ATOM 0 HG21 THR A 767 -0.883 -10.840 1.272 1.00 0.00 H new ATOM 0 HG22 THR A 767 -0.873 -9.360 2.259 1.00 0.00 H new ATOM 0 HG23 THR A 767 -0.590 -9.261 0.505 1.00 0.00 H new ATOM 799 N PHE A 768 0.379 -7.047 3.013 1.00 0.00 N ATOM 800 CA PHE A 768 -0.261 -6.477 4.186 1.00 0.00 C ATOM 801 C PHE A 768 -1.725 -6.182 3.910 1.00 0.00 C ATOM 802 O PHE A 768 -2.081 -5.680 2.843 1.00 0.00 O ATOM 803 CB PHE A 768 0.440 -5.201 4.634 1.00 0.00 C ATOM 804 CG PHE A 768 0.358 -4.995 6.115 1.00 0.00 C ATOM 805 CD1 PHE A 768 1.074 -5.814 6.964 1.00 0.00 C ATOM 806 CD2 PHE A 768 -0.435 -3.998 6.657 1.00 0.00 C ATOM 807 CE1 PHE A 768 1.004 -5.645 8.335 1.00 0.00 C ATOM 808 CE2 PHE A 768 -0.510 -3.822 8.025 1.00 0.00 C ATOM 809 CZ PHE A 768 0.210 -4.647 8.865 1.00 0.00 C ATOM 0 H PHE A 768 0.092 -6.629 2.128 1.00 0.00 H new ATOM 0 HA PHE A 768 -0.188 -7.213 4.986 1.00 0.00 H new ATOM 0 HB2 PHE A 768 1.487 -5.240 4.333 1.00 0.00 H new ATOM 0 HB3 PHE A 768 -0.007 -4.347 4.126 1.00 0.00 H new ATOM 0 HD1 PHE A 768 1.696 -6.596 6.553 1.00 0.00 H new ATOM 0 HD2 PHE A 768 -1.001 -3.351 6.003 1.00 0.00 H new ATOM 0 HE1 PHE A 768 1.569 -6.292 8.990 1.00 0.00 H new ATOM 0 HE2 PHE A 768 -1.131 -3.040 8.437 1.00 0.00 H new ATOM 0 HZ PHE A 768 0.153 -4.512 9.935 1.00 0.00 H new ATOM 819 N GLU A 769 -2.565 -6.497 4.877 1.00 0.00 N ATOM 820 CA GLU A 769 -3.991 -6.287 4.757 1.00 0.00 C ATOM 821 C GLU A 769 -4.536 -5.591 5.999 1.00 0.00 C ATOM 822 O GLU A 769 -4.361 -6.072 7.119 1.00 0.00 O ATOM 823 CB GLU A 769 -4.663 -7.639 4.551 1.00 0.00 C ATOM 824 CG GLU A 769 -6.173 -7.572 4.403 1.00 0.00 C ATOM 825 CD GLU A 769 -6.757 -8.865 3.875 1.00 0.00 C ATOM 826 OE1 GLU A 769 -6.640 -9.117 2.659 1.00 0.00 O ATOM 827 OE2 GLU A 769 -7.343 -9.632 4.669 1.00 0.00 O ATOM 0 H GLU A 769 -2.277 -6.905 5.766 1.00 0.00 H new ATOM 0 HA GLU A 769 -4.201 -5.642 3.903 1.00 0.00 H new ATOM 0 HB2 GLU A 769 -4.243 -8.108 3.661 1.00 0.00 H new ATOM 0 HB3 GLU A 769 -4.421 -8.284 5.396 1.00 0.00 H new ATOM 0 HG2 GLU A 769 -6.621 -7.342 5.370 1.00 0.00 H new ATOM 0 HG3 GLU A 769 -6.434 -6.756 3.729 1.00 0.00 H new ATOM 834 N ILE A 770 -5.178 -4.448 5.799 1.00 0.00 N ATOM 835 CA ILE A 770 -5.769 -3.703 6.893 1.00 0.00 C ATOM 836 C ILE A 770 -7.275 -3.691 6.727 1.00 0.00 C ATOM 837 O ILE A 770 -7.802 -3.114 5.783 1.00 0.00 O ATOM 838 CB ILE A 770 -5.223 -2.262 6.951 1.00 0.00 C ATOM 839 CG1 ILE A 770 -3.732 -2.287 7.268 1.00 0.00 C ATOM 840 CG2 ILE A 770 -5.968 -1.437 7.990 1.00 0.00 C ATOM 841 CD1 ILE A 770 -2.935 -1.302 6.455 1.00 0.00 C ATOM 0 H ILE A 770 -5.301 -4.018 4.882 1.00 0.00 H new ATOM 0 HA ILE A 770 -5.505 -4.190 7.832 1.00 0.00 H new ATOM 0 HB ILE A 770 -5.376 -1.796 5.978 1.00 0.00 H new ATOM 0 HG12 ILE A 770 -3.589 -2.074 8.327 1.00 0.00 H new ATOM 0 HG13 ILE A 770 -3.346 -3.291 7.090 1.00 0.00 H new ATOM 0 HG21 ILE A 770 -5.563 -0.425 8.010 1.00 0.00 H new ATOM 0 HG22 ILE A 770 -7.027 -1.399 7.733 1.00 0.00 H new ATOM 0 HG23 ILE A 770 -5.849 -1.895 8.972 1.00 0.00 H new ATOM 0 HD11 ILE A 770 -1.882 -1.371 6.729 1.00 0.00 H new ATOM 0 HD12 ILE A 770 -3.049 -1.528 5.395 1.00 0.00 H new ATOM 0 HD13 ILE A 770 -3.296 -0.292 6.651 1.00 0.00 H new ATOM 853 N LYS A 771 -7.957 -4.364 7.625 1.00 0.00 N ATOM 854 CA LYS A 771 -9.380 -4.548 7.506 1.00 0.00 C ATOM 855 C LYS A 771 -10.141 -3.384 8.098 1.00 0.00 C ATOM 856 O LYS A 771 -9.647 -2.683 8.983 1.00 0.00 O ATOM 857 CB LYS A 771 -9.784 -5.836 8.200 1.00 0.00 C ATOM 858 CG LYS A 771 -8.646 -6.833 8.270 1.00 0.00 C ATOM 859 CD LYS A 771 -9.132 -8.224 8.599 1.00 0.00 C ATOM 860 CE LYS A 771 -9.934 -8.810 7.449 1.00 0.00 C ATOM 861 NZ LYS A 771 -10.264 -10.239 7.677 1.00 0.00 N ATOM 0 H LYS A 771 -7.543 -4.795 8.451 1.00 0.00 H new ATOM 0 HA LYS A 771 -9.629 -4.604 6.446 1.00 0.00 H new ATOM 0 HB2 LYS A 771 -10.128 -5.610 9.209 1.00 0.00 H new ATOM 0 HB3 LYS A 771 -10.624 -6.284 7.669 1.00 0.00 H new ATOM 0 HG2 LYS A 771 -8.119 -6.849 7.316 1.00 0.00 H new ATOM 0 HG3 LYS A 771 -7.928 -6.512 9.025 1.00 0.00 H new ATOM 0 HD2 LYS A 771 -8.280 -8.868 8.817 1.00 0.00 H new ATOM 0 HD3 LYS A 771 -9.748 -8.194 9.498 1.00 0.00 H new ATOM 0 HE2 LYS A 771 -10.855 -8.241 7.321 1.00 0.00 H new ATOM 0 HE3 LYS A 771 -9.367 -8.711 6.523 1.00 0.00 H new ATOM 0 HZ1 LYS A 771 -10.811 -10.602 6.870 1.00 0.00 H new ATOM 0 HZ2 LYS A 771 -9.385 -10.787 7.774 1.00 0.00 H new ATOM 0 HZ3 LYS A 771 -10.827 -10.331 8.547 1.00 0.00 H new ATOM 875 N GLU A 772 -11.347 -3.206 7.590 1.00 0.00 N ATOM 876 CA GLU A 772 -12.283 -2.199 8.074 1.00 0.00 C ATOM 877 C GLU A 772 -11.672 -0.803 8.069 1.00 0.00 C ATOM 878 O GLU A 772 -11.825 -0.054 9.036 1.00 0.00 O ATOM 879 CB GLU A 772 -12.761 -2.541 9.489 1.00 0.00 C ATOM 880 CG GLU A 772 -12.897 -4.031 9.734 1.00 0.00 C ATOM 881 CD GLU A 772 -13.556 -4.359 11.052 1.00 0.00 C ATOM 882 OE1 GLU A 772 -14.790 -4.547 11.073 1.00 0.00 O ATOM 883 OE2 GLU A 772 -12.841 -4.443 12.074 1.00 0.00 O ATOM 0 H GLU A 772 -11.712 -3.764 6.818 1.00 0.00 H new ATOM 0 HA GLU A 772 -13.132 -2.201 7.391 1.00 0.00 H new ATOM 0 HB2 GLU A 772 -12.060 -2.124 10.212 1.00 0.00 H new ATOM 0 HB3 GLU A 772 -13.724 -2.062 9.665 1.00 0.00 H new ATOM 0 HG2 GLU A 772 -13.477 -4.474 8.925 1.00 0.00 H new ATOM 0 HG3 GLU A 772 -11.908 -4.489 9.705 1.00 0.00 H new ATOM 890 N ILE A 773 -10.974 -0.443 6.999 1.00 0.00 N ATOM 891 CA ILE A 773 -10.520 0.919 6.868 1.00 0.00 C ATOM 892 C ILE A 773 -11.737 1.761 6.518 1.00 0.00 C ATOM 893 O ILE A 773 -12.399 1.524 5.520 1.00 0.00 O ATOM 894 CB ILE A 773 -9.346 1.099 5.840 1.00 0.00 C ATOM 895 CG1 ILE A 773 -9.815 1.501 4.436 1.00 0.00 C ATOM 896 CG2 ILE A 773 -8.508 -0.171 5.747 1.00 0.00 C ATOM 897 CD1 ILE A 773 -10.027 2.999 4.259 1.00 0.00 C ATOM 0 H ILE A 773 -10.719 -1.064 6.231 1.00 0.00 H new ATOM 0 HA ILE A 773 -10.083 1.247 7.811 1.00 0.00 H new ATOM 0 HB ILE A 773 -8.743 1.921 6.226 1.00 0.00 H new ATOM 0 HG12 ILE A 773 -9.080 1.160 3.707 1.00 0.00 H new ATOM 0 HG13 ILE A 773 -10.748 0.984 4.214 1.00 0.00 H new ATOM 0 HG21 ILE A 773 -7.701 -0.023 5.029 1.00 0.00 H new ATOM 0 HG22 ILE A 773 -8.086 -0.401 6.725 1.00 0.00 H new ATOM 0 HG23 ILE A 773 -9.137 -0.999 5.420 1.00 0.00 H new ATOM 0 HD11 ILE A 773 -10.358 3.202 3.240 1.00 0.00 H new ATOM 0 HD12 ILE A 773 -10.785 3.345 4.962 1.00 0.00 H new ATOM 0 HD13 ILE A 773 -9.090 3.524 4.448 1.00 0.00 H new ATOM 909 N LYS A 774 -12.076 2.664 7.408 1.00 0.00 N ATOM 910 CA LYS A 774 -13.234 3.530 7.259 1.00 0.00 C ATOM 911 C LYS A 774 -12.736 4.954 7.051 1.00 0.00 C ATOM 912 O LYS A 774 -13.420 5.932 7.358 1.00 0.00 O ATOM 913 CB LYS A 774 -14.063 3.431 8.540 1.00 0.00 C ATOM 914 CG LYS A 774 -14.321 1.988 8.959 1.00 0.00 C ATOM 915 CD LYS A 774 -14.589 1.865 10.450 1.00 0.00 C ATOM 916 CE LYS A 774 -14.713 0.408 10.882 1.00 0.00 C ATOM 917 NZ LYS A 774 -14.962 0.287 12.342 1.00 0.00 N ATOM 0 H LYS A 774 -11.552 2.824 8.268 1.00 0.00 H new ATOM 0 HA LYS A 774 -13.850 3.239 6.408 1.00 0.00 H new ATOM 0 HB2 LYS A 774 -13.545 3.953 9.345 1.00 0.00 H new ATOM 0 HB3 LYS A 774 -15.016 3.939 8.392 1.00 0.00 H new ATOM 0 HG2 LYS A 774 -15.174 1.597 8.404 1.00 0.00 H new ATOM 0 HG3 LYS A 774 -13.460 1.374 8.694 1.00 0.00 H new ATOM 0 HD2 LYS A 774 -13.781 2.342 11.006 1.00 0.00 H new ATOM 0 HD3 LYS A 774 -15.506 2.398 10.700 1.00 0.00 H new ATOM 0 HE2 LYS A 774 -15.527 -0.066 10.333 1.00 0.00 H new ATOM 0 HE3 LYS A 774 -13.800 -0.127 10.623 1.00 0.00 H new ATOM 0 HZ1 LYS A 774 -15.041 -0.718 12.599 1.00 0.00 H new ATOM 0 HZ2 LYS A 774 -14.173 0.717 12.866 1.00 0.00 H new ATOM 0 HZ3 LYS A 774 -15.847 0.777 12.585 1.00 0.00 H new ATOM 931 N THR A 775 -11.525 5.047 6.514 1.00 0.00 N ATOM 932 CA THR A 775 -10.774 6.291 6.510 1.00 0.00 C ATOM 933 C THR A 775 -10.912 7.090 5.207 1.00 0.00 C ATOM 934 O THR A 775 -11.617 8.098 5.169 1.00 0.00 O ATOM 935 CB THR A 775 -9.289 5.989 6.746 1.00 0.00 C ATOM 936 OG1 THR A 775 -9.156 4.756 7.462 1.00 0.00 O ATOM 937 CG2 THR A 775 -8.628 7.106 7.533 1.00 0.00 C ATOM 0 H THR A 775 -11.041 4.266 6.072 1.00 0.00 H new ATOM 0 HA THR A 775 -11.191 6.905 7.308 1.00 0.00 H new ATOM 0 HB THR A 775 -8.796 5.909 5.777 1.00 0.00 H new ATOM 0 HG1 THR A 775 -8.206 4.564 7.610 1.00 0.00 H new ATOM 0 HG21 THR A 775 -7.575 6.869 7.688 1.00 0.00 H new ATOM 0 HG22 THR A 775 -8.712 8.041 6.978 1.00 0.00 H new ATOM 0 HG23 THR A 775 -9.122 7.212 8.499 1.00 0.00 H new ATOM 945 N ASN A 776 -10.210 6.615 4.165 1.00 0.00 N ATOM 946 CA ASN A 776 -10.068 7.297 2.857 1.00 0.00 C ATOM 947 C ASN A 776 -8.854 8.216 2.862 1.00 0.00 C ATOM 948 O ASN A 776 -8.558 8.875 1.872 1.00 0.00 O ATOM 949 CB ASN A 776 -11.324 8.076 2.434 1.00 0.00 C ATOM 950 CG ASN A 776 -12.322 7.225 1.674 1.00 0.00 C ATOM 951 OD1 ASN A 776 -13.113 7.734 0.877 1.00 0.00 O ATOM 952 ND2 ASN A 776 -12.279 5.925 1.892 1.00 0.00 N ATOM 0 H ASN A 776 -9.712 5.726 4.204 1.00 0.00 H new ATOM 0 HA ASN A 776 -9.928 6.509 2.117 1.00 0.00 H new ATOM 0 HB2 ASN A 776 -11.806 8.486 3.321 1.00 0.00 H new ATOM 0 HB3 ASN A 776 -11.028 8.921 1.813 1.00 0.00 H new ATOM 0 HD21 ASN A 776 -12.915 5.303 1.393 1.00 0.00 H new ATOM 0 HD22 ASN A 776 -11.610 5.542 2.560 1.00 0.00 H new ATOM 959 N GLU A 777 -8.135 8.203 3.975 1.00 0.00 N ATOM 960 CA GLU A 777 -6.887 8.945 4.139 1.00 0.00 C ATOM 961 C GLU A 777 -6.042 8.253 5.198 1.00 0.00 C ATOM 962 O GLU A 777 -6.159 8.557 6.382 1.00 0.00 O ATOM 963 CB GLU A 777 -7.130 10.383 4.597 1.00 0.00 C ATOM 964 CG GLU A 777 -7.615 11.329 3.528 1.00 0.00 C ATOM 965 CD GLU A 777 -9.123 11.462 3.488 1.00 0.00 C ATOM 966 OE1 GLU A 777 -9.754 11.439 4.567 1.00 0.00 O ATOM 967 OE2 GLU A 777 -9.681 11.629 2.382 1.00 0.00 O ATOM 0 H GLU A 777 -8.403 7.670 4.803 1.00 0.00 H new ATOM 0 HA GLU A 777 -6.386 8.969 3.171 1.00 0.00 H new ATOM 0 HB2 GLU A 777 -7.861 10.370 5.406 1.00 0.00 H new ATOM 0 HB3 GLU A 777 -6.202 10.776 5.012 1.00 0.00 H new ATOM 0 HG2 GLU A 777 -7.174 12.312 3.695 1.00 0.00 H new ATOM 0 HG3 GLU A 777 -7.262 10.982 2.557 1.00 0.00 H new ATOM 974 N TYR A 778 -5.198 7.331 4.791 1.00 0.00 N ATOM 975 CA TYR A 778 -4.468 6.521 5.763 1.00 0.00 C ATOM 976 C TYR A 778 -2.990 6.460 5.427 1.00 0.00 C ATOM 977 O TYR A 778 -2.613 6.169 4.300 1.00 0.00 O ATOM 978 CB TYR A 778 -5.071 5.115 5.858 1.00 0.00 C ATOM 979 CG TYR A 778 -4.284 4.154 6.723 1.00 0.00 C ATOM 980 CD1 TYR A 778 -4.418 4.165 8.105 1.00 0.00 C ATOM 981 CD2 TYR A 778 -3.409 3.234 6.157 1.00 0.00 C ATOM 982 CE1 TYR A 778 -3.704 3.287 8.898 1.00 0.00 C ATOM 983 CE2 TYR A 778 -2.692 2.354 6.944 1.00 0.00 C ATOM 984 CZ TYR A 778 -2.842 2.385 8.313 1.00 0.00 C ATOM 985 OH TYR A 778 -2.130 1.507 9.099 1.00 0.00 O ATOM 0 H TYR A 778 -4.997 7.119 3.814 1.00 0.00 H new ATOM 0 HA TYR A 778 -4.564 6.998 6.739 1.00 0.00 H new ATOM 0 HB2 TYR A 778 -6.084 5.193 6.252 1.00 0.00 H new ATOM 0 HB3 TYR A 778 -5.151 4.699 4.854 1.00 0.00 H new ATOM 0 HD1 TYR A 778 -5.091 4.871 8.568 1.00 0.00 H new ATOM 0 HD2 TYR A 778 -3.288 3.207 5.084 1.00 0.00 H new ATOM 0 HE1 TYR A 778 -3.821 3.308 9.971 1.00 0.00 H new ATOM 0 HE2 TYR A 778 -2.017 1.645 6.488 1.00 0.00 H new ATOM 0 HH TYR A 778 -1.570 0.939 8.530 1.00 0.00 H new ATOM 995 N VAL A 779 -2.152 6.758 6.405 1.00 0.00 N ATOM 996 CA VAL A 779 -0.721 6.709 6.200 1.00 0.00 C ATOM 997 C VAL A 779 -0.188 5.319 6.512 1.00 0.00 C ATOM 998 O VAL A 779 -0.222 4.862 7.656 1.00 0.00 O ATOM 999 CB VAL A 779 0.028 7.768 7.033 1.00 0.00 C ATOM 1000 CG1 VAL A 779 1.490 7.846 6.617 1.00 0.00 C ATOM 1001 CG2 VAL A 779 -0.634 9.122 6.892 1.00 0.00 C ATOM 0 H VAL A 779 -2.439 7.035 7.344 1.00 0.00 H new ATOM 0 HA VAL A 779 -0.540 6.937 5.150 1.00 0.00 H new ATOM 0 HB VAL A 779 -0.015 7.469 8.080 1.00 0.00 H new ATOM 0 HG11 VAL A 779 1.999 8.600 7.218 1.00 0.00 H new ATOM 0 HG12 VAL A 779 1.964 6.877 6.772 1.00 0.00 H new ATOM 0 HG13 VAL A 779 1.554 8.117 5.563 1.00 0.00 H new ATOM 0 HG21 VAL A 779 -0.091 9.856 7.487 1.00 0.00 H new ATOM 0 HG22 VAL A 779 -0.624 9.425 5.845 1.00 0.00 H new ATOM 0 HG23 VAL A 779 -1.664 9.061 7.242 1.00 0.00 H new ATOM 1011 N ILE A 780 0.277 4.650 5.474 1.00 0.00 N ATOM 1012 CA ILE A 780 0.802 3.302 5.581 1.00 0.00 C ATOM 1013 C ILE A 780 2.243 3.327 6.074 1.00 0.00 C ATOM 1014 O ILE A 780 2.989 4.254 5.782 1.00 0.00 O ATOM 1015 CB ILE A 780 0.747 2.596 4.210 1.00 0.00 C ATOM 1016 CG1 ILE A 780 -0.688 2.364 3.768 1.00 0.00 C ATOM 1017 CG2 ILE A 780 1.503 1.279 4.223 1.00 0.00 C ATOM 1018 CD1 ILE A 780 -0.763 1.755 2.392 1.00 0.00 C ATOM 0 H ILE A 780 0.301 5.029 4.527 1.00 0.00 H new ATOM 0 HA ILE A 780 0.188 2.755 6.296 1.00 0.00 H new ATOM 0 HB ILE A 780 1.232 3.260 3.494 1.00 0.00 H new ATOM 0 HG12 ILE A 780 -1.186 1.708 4.482 1.00 0.00 H new ATOM 0 HG13 ILE A 780 -1.227 3.311 3.775 1.00 0.00 H new ATOM 0 HG21 ILE A 780 1.440 0.814 3.239 1.00 0.00 H new ATOM 0 HG22 ILE A 780 2.548 1.462 4.472 1.00 0.00 H new ATOM 0 HG23 ILE A 780 1.064 0.615 4.967 1.00 0.00 H new ATOM 0 HD11 ILE A 780 -1.807 1.606 2.116 1.00 0.00 H new ATOM 0 HD12 ILE A 780 -0.289 2.423 1.672 1.00 0.00 H new ATOM 0 HD13 ILE A 780 -0.247 0.795 2.390 1.00 0.00 H new ATOM 1030 N LYS A 781 2.624 2.315 6.829 1.00 0.00 N ATOM 1031 CA LYS A 781 3.998 2.172 7.274 1.00 0.00 C ATOM 1032 C LYS A 781 4.562 0.861 6.762 1.00 0.00 C ATOM 1033 O LYS A 781 4.179 -0.213 7.223 1.00 0.00 O ATOM 1034 CB LYS A 781 4.116 2.232 8.804 1.00 0.00 C ATOM 1035 CG LYS A 781 4.050 3.638 9.392 1.00 0.00 C ATOM 1036 CD LYS A 781 2.649 4.234 9.339 1.00 0.00 C ATOM 1037 CE LYS A 781 1.672 3.460 10.212 1.00 0.00 C ATOM 1038 NZ LYS A 781 0.322 4.085 10.226 1.00 0.00 N ATOM 0 H LYS A 781 1.998 1.576 7.149 1.00 0.00 H new ATOM 0 HA LYS A 781 4.570 3.007 6.870 1.00 0.00 H new ATOM 0 HB2 LYS A 781 3.317 1.632 9.241 1.00 0.00 H new ATOM 0 HB3 LYS A 781 5.059 1.772 9.101 1.00 0.00 H new ATOM 0 HG2 LYS A 781 4.389 3.610 10.427 1.00 0.00 H new ATOM 0 HG3 LYS A 781 4.737 4.287 8.849 1.00 0.00 H new ATOM 0 HD2 LYS A 781 2.684 5.273 9.666 1.00 0.00 H new ATOM 0 HD3 LYS A 781 2.293 4.235 8.309 1.00 0.00 H new ATOM 0 HE2 LYS A 781 1.594 2.436 9.848 1.00 0.00 H new ATOM 0 HE3 LYS A 781 2.058 3.408 11.230 1.00 0.00 H new ATOM 0 HZ1 LYS A 781 -0.369 3.410 10.611 1.00 0.00 H new ATOM 0 HZ2 LYS A 781 0.341 4.939 10.820 1.00 0.00 H new ATOM 0 HZ3 LYS A 781 0.049 4.344 9.256 1.00 0.00 H new ATOM 1052 N THR A 782 5.457 0.952 5.798 1.00 0.00 N ATOM 1053 CA THR A 782 6.049 -0.227 5.206 1.00 0.00 C ATOM 1054 C THR A 782 7.118 -0.803 6.127 1.00 0.00 C ATOM 1055 O THR A 782 7.870 -0.050 6.768 1.00 0.00 O ATOM 1056 CB THR A 782 6.647 0.082 3.828 1.00 0.00 C ATOM 1057 OG1 THR A 782 7.598 1.141 3.917 1.00 0.00 O ATOM 1058 CG2 THR A 782 5.557 0.460 2.864 1.00 0.00 C ATOM 0 H THR A 782 5.790 1.834 5.408 1.00 0.00 H new ATOM 0 HA THR A 782 5.260 -0.967 5.073 1.00 0.00 H new ATOM 0 HB THR A 782 7.153 -0.813 3.467 1.00 0.00 H new ATOM 0 HG1 THR A 782 7.128 1.999 3.975 1.00 0.00 H new ATOM 0 HG21 THR A 782 5.993 0.677 1.889 1.00 0.00 H new ATOM 0 HG22 THR A 782 4.852 -0.366 2.770 1.00 0.00 H new ATOM 0 HG23 THR A 782 5.035 1.343 3.233 1.00 0.00 H new ATOM 1066 N PRO A 783 7.184 -2.148 6.200 1.00 0.00 N ATOM 1067 CA PRO A 783 8.085 -2.874 7.108 1.00 0.00 C ATOM 1068 C PRO A 783 9.535 -2.446 6.954 1.00 0.00 C ATOM 1069 O PRO A 783 9.924 -1.906 5.922 1.00 0.00 O ATOM 1070 CB PRO A 783 7.925 -4.336 6.682 1.00 0.00 C ATOM 1071 CG PRO A 783 6.590 -4.399 6.032 1.00 0.00 C ATOM 1072 CD PRO A 783 6.390 -3.070 5.371 1.00 0.00 C ATOM 0 HA PRO A 783 7.837 -2.686 8.153 1.00 0.00 H new ATOM 0 HB2 PRO A 783 8.715 -4.636 5.993 1.00 0.00 H new ATOM 0 HB3 PRO A 783 7.979 -5.006 7.540 1.00 0.00 H new ATOM 0 HG2 PRO A 783 6.549 -5.208 5.302 1.00 0.00 H new ATOM 0 HG3 PRO A 783 5.807 -4.592 6.766 1.00 0.00 H new ATOM 0 HD2 PRO A 783 6.737 -3.080 4.338 1.00 0.00 H new ATOM 0 HD3 PRO A 783 5.338 -2.786 5.351 1.00 0.00 H new ATOM 1080 N VAL A 784 10.329 -2.695 7.981 1.00 0.00 N ATOM 1081 CA VAL A 784 11.723 -2.305 7.968 1.00 0.00 C ATOM 1082 C VAL A 784 12.476 -3.093 6.895 1.00 0.00 C ATOM 1083 O VAL A 784 12.378 -4.320 6.813 1.00 0.00 O ATOM 1084 CB VAL A 784 12.375 -2.508 9.355 1.00 0.00 C ATOM 1085 CG1 VAL A 784 12.426 -3.978 9.724 1.00 0.00 C ATOM 1086 CG2 VAL A 784 13.759 -1.886 9.396 1.00 0.00 C ATOM 0 H VAL A 784 10.029 -3.166 8.834 1.00 0.00 H new ATOM 0 HA VAL A 784 11.780 -1.243 7.731 1.00 0.00 H new ATOM 0 HB VAL A 784 11.756 -2.002 10.096 1.00 0.00 H new ATOM 0 HG11 VAL A 784 12.889 -4.091 10.704 1.00 0.00 H new ATOM 0 HG12 VAL A 784 11.414 -4.381 9.752 1.00 0.00 H new ATOM 0 HG13 VAL A 784 13.012 -4.520 8.981 1.00 0.00 H new ATOM 0 HG21 VAL A 784 14.199 -2.041 10.381 1.00 0.00 H new ATOM 0 HG22 VAL A 784 14.390 -2.353 8.640 1.00 0.00 H new ATOM 0 HG23 VAL A 784 13.684 -0.817 9.197 1.00 0.00 H new ATOM 1096 N PHE A 785 13.200 -2.379 6.056 1.00 0.00 N ATOM 1097 CA PHE A 785 13.898 -2.990 4.942 1.00 0.00 C ATOM 1098 C PHE A 785 15.353 -3.238 5.303 1.00 0.00 C ATOM 1099 O PHE A 785 16.196 -2.351 5.182 1.00 0.00 O ATOM 1100 CB PHE A 785 13.809 -2.112 3.697 1.00 0.00 C ATOM 1101 CG PHE A 785 12.403 -1.869 3.239 1.00 0.00 C ATOM 1102 CD1 PHE A 785 11.703 -0.785 3.716 1.00 0.00 C ATOM 1103 CD2 PHE A 785 11.788 -2.715 2.334 1.00 0.00 C ATOM 1104 CE1 PHE A 785 10.410 -0.537 3.302 1.00 0.00 C ATOM 1105 CE2 PHE A 785 10.493 -2.478 1.914 1.00 0.00 C ATOM 1106 CZ PHE A 785 9.803 -1.386 2.400 1.00 0.00 C ATOM 0 H PHE A 785 13.321 -1.369 6.126 1.00 0.00 H new ATOM 0 HA PHE A 785 13.420 -3.945 4.724 1.00 0.00 H new ATOM 0 HB2 PHE A 785 14.287 -1.154 3.902 1.00 0.00 H new ATOM 0 HB3 PHE A 785 14.370 -2.582 2.889 1.00 0.00 H new ATOM 0 HD1 PHE A 785 12.172 -0.118 4.425 1.00 0.00 H new ATOM 0 HD2 PHE A 785 12.326 -3.570 1.951 1.00 0.00 H new ATOM 0 HE1 PHE A 785 9.875 0.320 3.683 1.00 0.00 H new ATOM 0 HE2 PHE A 785 10.022 -3.145 1.207 1.00 0.00 H new ATOM 0 HZ PHE A 785 8.791 -1.197 2.075 1.00 0.00 H new ATOM 1116 N THR A 786 15.646 -4.454 5.725 1.00 0.00 N ATOM 1117 CA THR A 786 16.970 -4.795 6.221 1.00 0.00 C ATOM 1118 C THR A 786 17.916 -5.151 5.084 1.00 0.00 C ATOM 1119 O THR A 786 18.947 -5.788 5.285 1.00 0.00 O ATOM 1120 CB THR A 786 16.876 -5.954 7.218 1.00 0.00 C ATOM 1121 OG1 THR A 786 16.302 -7.109 6.586 1.00 0.00 O ATOM 1122 CG2 THR A 786 16.016 -5.534 8.390 1.00 0.00 C ATOM 0 H THR A 786 14.981 -5.228 5.735 1.00 0.00 H new ATOM 0 HA THR A 786 17.375 -3.919 6.728 1.00 0.00 H new ATOM 0 HB THR A 786 17.877 -6.208 7.567 1.00 0.00 H new ATOM 0 HG1 THR A 786 16.249 -7.843 7.233 1.00 0.00 H new ATOM 0 HG21 THR A 786 15.946 -6.356 9.103 1.00 0.00 H new ATOM 0 HG22 THR A 786 16.463 -4.668 8.878 1.00 0.00 H new ATOM 0 HG23 THR A 786 15.018 -5.275 8.035 1.00 0.00 H new ATOM 1130 N THR A 787 17.548 -4.740 3.886 1.00 0.00 N ATOM 1131 CA THR A 787 18.374 -4.957 2.708 1.00 0.00 C ATOM 1132 C THR A 787 18.058 -3.927 1.635 1.00 0.00 C ATOM 1133 O THR A 787 16.899 -3.769 1.253 1.00 0.00 O ATOM 1134 CB THR A 787 18.164 -6.348 2.103 1.00 0.00 C ATOM 1135 OG1 THR A 787 18.037 -7.337 3.135 1.00 0.00 O ATOM 1136 CG2 THR A 787 19.338 -6.695 1.211 1.00 0.00 C ATOM 0 H THR A 787 16.674 -4.249 3.699 1.00 0.00 H new ATOM 0 HA THR A 787 19.409 -4.864 3.038 1.00 0.00 H new ATOM 0 HB THR A 787 17.245 -6.337 1.517 1.00 0.00 H new ATOM 0 HG1 THR A 787 17.902 -8.218 2.729 1.00 0.00 H new ATOM 0 HG21 THR A 787 19.188 -7.685 0.781 1.00 0.00 H new ATOM 0 HG22 THR A 787 19.416 -5.960 0.410 1.00 0.00 H new ATOM 0 HG23 THR A 787 20.256 -6.690 1.799 1.00 0.00 H new ATOM 1144 N GLY A 788 19.086 -3.204 1.188 1.00 0.00 N ATOM 1145 CA GLY A 788 18.941 -2.309 0.056 1.00 0.00 C ATOM 1146 C GLY A 788 18.304 -2.995 -1.147 1.00 0.00 C ATOM 1147 O GLY A 788 18.795 -4.021 -1.623 1.00 0.00 O ATOM 0 H GLY A 788 20.021 -3.225 1.595 1.00 0.00 H new ATOM 0 HA2 GLY A 788 18.332 -1.453 0.348 1.00 0.00 H new ATOM 0 HA3 GLY A 788 19.920 -1.922 -0.226 1.00 0.00 H new ATOM 1151 N GLY A 789 17.208 -2.431 -1.624 1.00 0.00 N ATOM 1152 CA GLY A 789 16.512 -2.969 -2.766 1.00 0.00 C ATOM 1153 C GLY A 789 15.549 -1.955 -3.340 1.00 0.00 C ATOM 1154 O GLY A 789 15.616 -0.774 -2.999 1.00 0.00 O ATOM 0 H GLY A 789 16.782 -1.592 -1.229 1.00 0.00 H new ATOM 0 HA2 GLY A 789 17.232 -3.265 -3.529 1.00 0.00 H new ATOM 0 HA3 GLY A 789 15.969 -3.868 -2.475 1.00 0.00 H new ATOM 1158 N ASP A 790 14.647 -2.400 -4.195 1.00 0.00 N ATOM 1159 CA ASP A 790 13.676 -1.509 -4.803 1.00 0.00 C ATOM 1160 C ASP A 790 12.309 -2.152 -4.713 1.00 0.00 C ATOM 1161 O ASP A 790 12.119 -3.292 -5.147 1.00 0.00 O ATOM 1162 CB ASP A 790 14.048 -1.246 -6.255 1.00 0.00 C ATOM 1163 CG ASP A 790 13.408 0.003 -6.828 1.00 0.00 C ATOM 1164 OD1 ASP A 790 12.175 0.029 -7.001 1.00 0.00 O ATOM 1165 OD2 ASP A 790 14.158 0.955 -7.142 1.00 0.00 O ATOM 0 H ASP A 790 14.566 -3.375 -4.485 1.00 0.00 H new ATOM 0 HA ASP A 790 13.665 -0.554 -4.278 1.00 0.00 H new ATOM 0 HB2 ASP A 790 15.132 -1.158 -6.334 1.00 0.00 H new ATOM 0 HB3 ASP A 790 13.753 -2.105 -6.858 1.00 0.00 H new ATOM 1170 N TYR A 791 11.373 -1.444 -4.121 1.00 0.00 N ATOM 1171 CA TYR A 791 10.069 -2.003 -3.846 1.00 0.00 C ATOM 1172 C TYR A 791 8.971 -1.153 -4.442 1.00 0.00 C ATOM 1173 O TYR A 791 9.098 0.065 -4.549 1.00 0.00 O ATOM 1174 CB TYR A 791 9.853 -2.130 -2.337 1.00 0.00 C ATOM 1175 CG TYR A 791 10.832 -3.055 -1.664 1.00 0.00 C ATOM 1176 CD1 TYR A 791 12.101 -2.616 -1.318 1.00 0.00 C ATOM 1177 CD2 TYR A 791 10.493 -4.371 -1.389 1.00 0.00 C ATOM 1178 CE1 TYR A 791 13.011 -3.467 -0.721 1.00 0.00 C ATOM 1179 CE2 TYR A 791 11.391 -5.222 -0.785 1.00 0.00 C ATOM 1180 CZ TYR A 791 12.648 -4.770 -0.456 1.00 0.00 C ATOM 1181 OH TYR A 791 13.549 -5.634 0.122 1.00 0.00 O ATOM 0 H TYR A 791 11.492 -0.477 -3.820 1.00 0.00 H new ATOM 0 HA TYR A 791 10.030 -2.991 -4.304 1.00 0.00 H new ATOM 0 HB2 TYR A 791 9.929 -1.142 -1.883 1.00 0.00 H new ATOM 0 HB3 TYR A 791 8.841 -2.489 -2.152 1.00 0.00 H new ATOM 0 HD1 TYR A 791 12.382 -1.593 -1.518 1.00 0.00 H new ATOM 0 HD2 TYR A 791 9.510 -4.734 -1.652 1.00 0.00 H new ATOM 0 HE1 TYR A 791 13.999 -3.114 -0.464 1.00 0.00 H new ATOM 0 HE2 TYR A 791 11.109 -6.242 -0.570 1.00 0.00 H new ATOM 0 HH TYR A 791 13.456 -6.522 -0.282 1.00 0.00 H new ATOM 1191 N ILE A 792 7.895 -1.802 -4.825 1.00 0.00 N ATOM 1192 CA ILE A 792 6.727 -1.115 -5.318 1.00 0.00 C ATOM 1193 C ILE A 792 5.506 -1.551 -4.527 1.00 0.00 C ATOM 1194 O ILE A 792 5.130 -2.720 -4.532 1.00 0.00 O ATOM 1195 CB ILE A 792 6.521 -1.383 -6.822 1.00 0.00 C ATOM 1196 CG1 ILE A 792 7.615 -0.687 -7.626 1.00 0.00 C ATOM 1197 CG2 ILE A 792 5.156 -0.890 -7.267 1.00 0.00 C ATOM 1198 CD1 ILE A 792 8.017 -1.421 -8.877 1.00 0.00 C ATOM 0 H ILE A 792 7.807 -2.818 -4.803 1.00 0.00 H new ATOM 0 HA ILE A 792 6.873 -0.043 -5.189 1.00 0.00 H new ATOM 0 HB ILE A 792 6.576 -2.457 -6.997 1.00 0.00 H new ATOM 0 HG12 ILE A 792 7.273 0.312 -7.897 1.00 0.00 H new ATOM 0 HG13 ILE A 792 8.493 -0.562 -6.993 1.00 0.00 H new ATOM 0 HG21 ILE A 792 5.027 -1.087 -8.331 1.00 0.00 H new ATOM 0 HG22 ILE A 792 4.380 -1.410 -6.705 1.00 0.00 H new ATOM 0 HG23 ILE A 792 5.079 0.182 -7.085 1.00 0.00 H new ATOM 0 HD11 ILE A 792 8.798 -0.862 -9.392 1.00 0.00 H new ATOM 0 HD12 ILE A 792 8.392 -2.410 -8.614 1.00 0.00 H new ATOM 0 HD13 ILE A 792 7.152 -1.523 -9.533 1.00 0.00 H new ATOM 1210 N LEU A 793 4.908 -0.614 -3.821 1.00 0.00 N ATOM 1211 CA LEU A 793 3.714 -0.892 -3.060 1.00 0.00 C ATOM 1212 C LEU A 793 2.512 -0.780 -3.984 1.00 0.00 C ATOM 1213 O LEU A 793 2.186 0.304 -4.465 1.00 0.00 O ATOM 1214 CB LEU A 793 3.598 0.069 -1.866 1.00 0.00 C ATOM 1215 CG LEU A 793 2.375 -0.139 -0.956 1.00 0.00 C ATOM 1216 CD1 LEU A 793 2.644 0.384 0.445 1.00 0.00 C ATOM 1217 CD2 LEU A 793 1.157 0.562 -1.520 1.00 0.00 C ATOM 0 H LEU A 793 5.234 0.351 -3.760 1.00 0.00 H new ATOM 0 HA LEU A 793 3.758 -1.903 -2.654 1.00 0.00 H new ATOM 0 HB2 LEU A 793 4.499 -0.025 -1.259 1.00 0.00 H new ATOM 0 HB3 LEU A 793 3.575 1.090 -2.247 1.00 0.00 H new ATOM 0 HG LEU A 793 2.184 -1.211 -0.908 1.00 0.00 H new ATOM 0 HD11 LEU A 793 1.764 0.225 1.068 1.00 0.00 H new ATOM 0 HD12 LEU A 793 3.494 -0.147 0.875 1.00 0.00 H new ATOM 0 HD13 LEU A 793 2.868 1.450 0.399 1.00 0.00 H new ATOM 0 HD21 LEU A 793 0.305 0.400 -0.859 1.00 0.00 H new ATOM 0 HD22 LEU A 793 1.357 1.631 -1.600 1.00 0.00 H new ATOM 0 HD23 LEU A 793 0.931 0.160 -2.508 1.00 0.00 H new ATOM 1229 N SER A 794 1.887 -1.909 -4.256 1.00 0.00 N ATOM 1230 CA SER A 794 0.745 -1.953 -5.151 1.00 0.00 C ATOM 1231 C SER A 794 -0.476 -2.500 -4.426 1.00 0.00 C ATOM 1232 O SER A 794 -0.363 -3.435 -3.630 1.00 0.00 O ATOM 1233 CB SER A 794 1.067 -2.836 -6.355 1.00 0.00 C ATOM 1234 OG SER A 794 2.272 -2.427 -6.975 1.00 0.00 O ATOM 0 H SER A 794 2.152 -2.814 -3.868 1.00 0.00 H new ATOM 0 HA SER A 794 0.527 -0.941 -5.491 1.00 0.00 H new ATOM 0 HB2 SER A 794 1.152 -3.875 -6.036 1.00 0.00 H new ATOM 0 HB3 SER A 794 0.249 -2.789 -7.074 1.00 0.00 H new ATOM 0 HG SER A 794 2.459 -3.008 -7.742 1.00 0.00 H new ATOM 1240 N LEU A 795 -1.634 -1.909 -4.687 1.00 0.00 N ATOM 1241 CA LEU A 795 -2.873 -2.378 -4.118 1.00 0.00 C ATOM 1242 C LEU A 795 -3.259 -3.723 -4.711 1.00 0.00 C ATOM 1243 O LEU A 795 -3.230 -3.902 -5.927 1.00 0.00 O ATOM 1244 CB LEU A 795 -3.967 -1.368 -4.381 1.00 0.00 C ATOM 1245 CG LEU A 795 -3.734 0.002 -3.761 1.00 0.00 C ATOM 1246 CD1 LEU A 795 -3.054 -0.100 -2.401 1.00 0.00 C ATOM 1247 CD2 LEU A 795 -2.961 0.911 -4.696 1.00 0.00 C ATOM 0 H LEU A 795 -1.733 -1.097 -5.296 1.00 0.00 H new ATOM 0 HA LEU A 795 -2.740 -2.499 -3.043 1.00 0.00 H new ATOM 0 HB2 LEU A 795 -4.081 -1.249 -5.458 1.00 0.00 H new ATOM 0 HB3 LEU A 795 -4.909 -1.767 -4.003 1.00 0.00 H new ATOM 0 HG LEU A 795 -4.714 0.451 -3.600 1.00 0.00 H new ATOM 0 HD11 LEU A 795 -2.906 0.900 -1.992 1.00 0.00 H new ATOM 0 HD12 LEU A 795 -3.681 -0.680 -1.723 1.00 0.00 H new ATOM 0 HD13 LEU A 795 -2.088 -0.593 -2.513 1.00 0.00 H new ATOM 0 HD21 LEU A 795 -2.813 1.881 -4.221 1.00 0.00 H new ATOM 0 HD22 LEU A 795 -1.992 0.464 -4.919 1.00 0.00 H new ATOM 0 HD23 LEU A 795 -3.522 1.042 -5.622 1.00 0.00 H new ATOM 1259 N VAL A 796 -3.613 -4.662 -3.856 1.00 0.00 N ATOM 1260 CA VAL A 796 -3.961 -5.997 -4.309 1.00 0.00 C ATOM 1261 C VAL A 796 -5.461 -6.163 -4.428 1.00 0.00 C ATOM 1262 O VAL A 796 -5.974 -6.565 -5.474 1.00 0.00 O ATOM 1263 CB VAL A 796 -3.388 -7.076 -3.371 1.00 0.00 C ATOM 1264 CG1 VAL A 796 -3.947 -8.453 -3.708 1.00 0.00 C ATOM 1265 CG2 VAL A 796 -1.887 -7.075 -3.498 1.00 0.00 C ATOM 0 H VAL A 796 -3.668 -4.527 -2.846 1.00 0.00 H new ATOM 0 HA VAL A 796 -3.517 -6.125 -5.296 1.00 0.00 H new ATOM 0 HB VAL A 796 -3.677 -6.849 -2.345 1.00 0.00 H new ATOM 0 HG11 VAL A 796 -3.524 -9.193 -3.029 1.00 0.00 H new ATOM 0 HG12 VAL A 796 -5.032 -8.441 -3.602 1.00 0.00 H new ATOM 0 HG13 VAL A 796 -3.685 -8.711 -4.734 1.00 0.00 H new ATOM 0 HG21 VAL A 796 -1.466 -7.834 -2.839 1.00 0.00 H new ATOM 0 HG22 VAL A 796 -1.609 -7.294 -4.529 1.00 0.00 H new ATOM 0 HG23 VAL A 796 -1.499 -6.096 -3.218 1.00 0.00 H new ATOM 1275 N SER A 797 -6.165 -5.824 -3.370 1.00 0.00 N ATOM 1276 CA SER A 797 -7.583 -6.085 -3.315 1.00 0.00 C ATOM 1277 C SER A 797 -8.210 -5.357 -2.138 1.00 0.00 C ATOM 1278 O SER A 797 -7.526 -5.024 -1.178 1.00 0.00 O ATOM 1279 CB SER A 797 -7.798 -7.594 -3.197 1.00 0.00 C ATOM 1280 OG SER A 797 -7.195 -8.108 -2.017 1.00 0.00 O ATOM 0 H SER A 797 -5.780 -5.370 -2.542 1.00 0.00 H new ATOM 0 HA SER A 797 -8.062 -5.720 -4.223 1.00 0.00 H new ATOM 0 HB2 SER A 797 -8.866 -7.812 -3.188 1.00 0.00 H new ATOM 0 HB3 SER A 797 -7.378 -8.093 -4.070 1.00 0.00 H new ATOM 0 HG SER A 797 -7.349 -9.074 -1.965 1.00 0.00 H new ATOM 1286 N ILE A 798 -9.494 -5.086 -2.229 1.00 0.00 N ATOM 1287 CA ILE A 798 -10.213 -4.450 -1.141 1.00 0.00 C ATOM 1288 C ILE A 798 -11.473 -5.246 -0.854 1.00 0.00 C ATOM 1289 O ILE A 798 -11.848 -6.098 -1.640 1.00 0.00 O ATOM 1290 CB ILE A 798 -10.575 -2.989 -1.471 1.00 0.00 C ATOM 1291 CG1 ILE A 798 -10.933 -2.223 -0.198 1.00 0.00 C ATOM 1292 CG2 ILE A 798 -11.743 -2.964 -2.441 1.00 0.00 C ATOM 1293 CD1 ILE A 798 -10.704 -0.732 -0.297 1.00 0.00 C ATOM 0 H ILE A 798 -10.065 -5.296 -3.047 1.00 0.00 H new ATOM 0 HA ILE A 798 -9.568 -4.433 -0.263 1.00 0.00 H new ATOM 0 HB ILE A 798 -9.712 -2.506 -1.929 1.00 0.00 H new ATOM 0 HG12 ILE A 798 -11.981 -2.405 0.042 1.00 0.00 H new ATOM 0 HG13 ILE A 798 -10.344 -2.617 0.630 1.00 0.00 H new ATOM 0 HG21 ILE A 798 -12.000 -1.931 -2.675 1.00 0.00 H new ATOM 0 HG22 ILE A 798 -11.466 -3.485 -3.357 1.00 0.00 H new ATOM 0 HG23 ILE A 798 -12.603 -3.458 -1.988 1.00 0.00 H new ATOM 0 HD11 ILE A 798 -10.981 -0.258 0.645 1.00 0.00 H new ATOM 0 HD12 ILE A 798 -9.652 -0.539 -0.505 1.00 0.00 H new ATOM 0 HD13 ILE A 798 -11.314 -0.323 -1.102 1.00 0.00 H new ATOM 1305 N LYS A 799 -12.123 -4.982 0.257 1.00 0.00 N ATOM 1306 CA LYS A 799 -13.288 -5.753 0.633 1.00 0.00 C ATOM 1307 C LYS A 799 -14.406 -4.867 1.126 1.00 0.00 C ATOM 1308 O LYS A 799 -14.256 -4.162 2.124 1.00 0.00 O ATOM 1309 CB LYS A 799 -12.911 -6.733 1.720 1.00 0.00 C ATOM 1310 CG LYS A 799 -14.062 -7.531 2.277 1.00 0.00 C ATOM 1311 CD LYS A 799 -13.662 -8.232 3.563 1.00 0.00 C ATOM 1312 CE LYS A 799 -13.073 -9.611 3.304 1.00 0.00 C ATOM 1313 NZ LYS A 799 -11.698 -9.549 2.736 1.00 0.00 N ATOM 0 H LYS A 799 -11.867 -4.244 0.913 1.00 0.00 H new ATOM 0 HA LYS A 799 -13.641 -6.283 -0.251 1.00 0.00 H new ATOM 0 HB2 LYS A 799 -12.166 -7.423 1.325 1.00 0.00 H new ATOM 0 HB3 LYS A 799 -12.438 -6.186 2.535 1.00 0.00 H new ATOM 0 HG2 LYS A 799 -14.909 -6.872 2.466 1.00 0.00 H new ATOM 0 HG3 LYS A 799 -14.388 -8.268 1.543 1.00 0.00 H new ATOM 0 HD2 LYS A 799 -12.934 -7.622 4.097 1.00 0.00 H new ATOM 0 HD3 LYS A 799 -14.534 -8.326 4.210 1.00 0.00 H new ATOM 0 HE2 LYS A 799 -13.052 -10.174 4.237 1.00 0.00 H new ATOM 0 HE3 LYS A 799 -13.721 -10.156 2.618 1.00 0.00 H new ATOM 0 HZ1 LYS A 799 -11.089 -10.234 3.226 1.00 0.00 H new ATOM 0 HZ2 LYS A 799 -11.731 -9.778 1.722 1.00 0.00 H new ATOM 0 HZ3 LYS A 799 -11.313 -8.591 2.862 1.00 0.00 H new ATOM 1327 N ASP A 800 -15.515 -4.914 0.414 1.00 0.00 N ATOM 1328 CA ASP A 800 -16.741 -4.267 0.840 1.00 0.00 C ATOM 1329 C ASP A 800 -17.169 -4.814 2.183 1.00 0.00 C ATOM 1330 O ASP A 800 -16.858 -5.959 2.522 1.00 0.00 O ATOM 1331 CB ASP A 800 -17.868 -4.502 -0.168 1.00 0.00 C ATOM 1332 CG ASP A 800 -17.687 -3.739 -1.458 1.00 0.00 C ATOM 1333 OD1 ASP A 800 -18.051 -2.546 -1.496 1.00 0.00 O ATOM 1334 OD2 ASP A 800 -17.204 -4.333 -2.443 1.00 0.00 O ATOM 0 H ASP A 800 -15.592 -5.403 -0.478 1.00 0.00 H new ATOM 0 HA ASP A 800 -16.547 -3.197 0.912 1.00 0.00 H new ATOM 0 HB2 ASP A 800 -17.930 -5.567 -0.390 1.00 0.00 H new ATOM 0 HB3 ASP A 800 -18.817 -4.215 0.285 1.00 0.00 H new ATOM 1339 N SER A 801 -17.923 -4.001 2.911 1.00 0.00 N ATOM 1340 CA SER A 801 -18.299 -4.283 4.290 1.00 0.00 C ATOM 1341 C SER A 801 -19.137 -5.558 4.420 1.00 0.00 C ATOM 1342 O SER A 801 -19.365 -6.042 5.526 1.00 0.00 O ATOM 1343 CB SER A 801 -19.068 -3.086 4.839 1.00 0.00 C ATOM 1344 OG SER A 801 -18.401 -1.875 4.512 1.00 0.00 O ATOM 0 H SER A 801 -18.294 -3.119 2.558 1.00 0.00 H new ATOM 0 HA SER A 801 -17.389 -4.450 4.866 1.00 0.00 H new ATOM 0 HB2 SER A 801 -20.077 -3.075 4.428 1.00 0.00 H new ATOM 0 HB3 SER A 801 -19.166 -3.174 5.921 1.00 0.00 H new ATOM 0 HG SER A 801 -17.432 -2.006 4.581 1.00 0.00 H new ATOM 1350 N THR A 802 -19.580 -6.104 3.295 1.00 0.00 N ATOM 1351 CA THR A 802 -20.354 -7.335 3.296 1.00 0.00 C ATOM 1352 C THR A 802 -19.428 -8.525 3.033 1.00 0.00 C ATOM 1353 O THR A 802 -19.868 -9.669 2.907 1.00 0.00 O ATOM 1354 CB THR A 802 -21.479 -7.284 2.235 1.00 0.00 C ATOM 1355 OG1 THR A 802 -22.329 -8.432 2.350 1.00 0.00 O ATOM 1356 CG2 THR A 802 -20.904 -7.214 0.826 1.00 0.00 C ATOM 0 H THR A 802 -19.415 -5.711 2.368 1.00 0.00 H new ATOM 0 HA THR A 802 -20.821 -7.451 4.274 1.00 0.00 H new ATOM 0 HB THR A 802 -22.064 -6.382 2.417 1.00 0.00 H new ATOM 0 HG1 THR A 802 -21.785 -9.224 2.540 1.00 0.00 H new ATOM 0 HG21 THR A 802 -21.718 -7.179 0.102 1.00 0.00 H new ATOM 0 HG22 THR A 802 -20.292 -6.318 0.727 1.00 0.00 H new ATOM 0 HG23 THR A 802 -20.290 -8.095 0.639 1.00 0.00 H new ATOM 1364 N GLY A 803 -18.137 -8.234 2.964 1.00 0.00 N ATOM 1365 CA GLY A 803 -17.144 -9.250 2.703 1.00 0.00 C ATOM 1366 C GLY A 803 -17.031 -9.571 1.230 1.00 0.00 C ATOM 1367 O GLY A 803 -16.939 -10.737 0.848 1.00 0.00 O ATOM 0 H GLY A 803 -17.757 -7.295 3.087 1.00 0.00 H new ATOM 0 HA2 GLY A 803 -16.176 -8.914 3.076 1.00 0.00 H new ATOM 0 HA3 GLY A 803 -17.400 -10.156 3.252 1.00 0.00 H new ATOM 1371 N CYS A 804 -17.032 -8.536 0.399 1.00 0.00 N ATOM 1372 CA CYS A 804 -16.903 -8.726 -1.043 1.00 0.00 C ATOM 1373 C CYS A 804 -15.595 -8.115 -1.528 1.00 0.00 C ATOM 1374 O CYS A 804 -15.370 -6.922 -1.377 1.00 0.00 O ATOM 1375 CB CYS A 804 -18.090 -8.101 -1.783 1.00 0.00 C ATOM 1376 SG CYS A 804 -18.125 -8.450 -3.558 1.00 0.00 S ATOM 0 H CYS A 804 -17.120 -7.564 0.694 1.00 0.00 H new ATOM 0 HA CYS A 804 -16.898 -9.795 -1.255 1.00 0.00 H new ATOM 0 HB2 CYS A 804 -19.015 -8.464 -1.335 1.00 0.00 H new ATOM 0 HB3 CYS A 804 -18.067 -7.021 -1.637 1.00 0.00 H new ATOM 0 HG CYS A 804 -19.165 -7.881 -4.092 1.00 0.00 H new ATOM 1382 N VAL A 805 -14.730 -8.929 -2.105 1.00 0.00 N ATOM 1383 CA VAL A 805 -13.393 -8.475 -2.452 1.00 0.00 C ATOM 1384 C VAL A 805 -13.323 -7.989 -3.898 1.00 0.00 C ATOM 1385 O VAL A 805 -13.680 -8.708 -4.834 1.00 0.00 O ATOM 1386 CB VAL A 805 -12.343 -9.581 -2.225 1.00 0.00 C ATOM 1387 CG1 VAL A 805 -10.948 -8.991 -2.159 1.00 0.00 C ATOM 1388 CG2 VAL A 805 -12.650 -10.369 -0.962 1.00 0.00 C ATOM 0 H VAL A 805 -14.926 -9.901 -2.342 1.00 0.00 H new ATOM 0 HA VAL A 805 -13.166 -7.638 -1.792 1.00 0.00 H new ATOM 0 HB VAL A 805 -12.386 -10.266 -3.072 1.00 0.00 H new ATOM 0 HG11 VAL A 805 -10.223 -9.789 -1.998 1.00 0.00 H new ATOM 0 HG12 VAL A 805 -10.724 -8.480 -3.096 1.00 0.00 H new ATOM 0 HG13 VAL A 805 -10.893 -8.279 -1.335 1.00 0.00 H new ATOM 0 HG21 VAL A 805 -11.895 -11.143 -0.824 1.00 0.00 H new ATOM 0 HG22 VAL A 805 -12.643 -9.698 -0.103 1.00 0.00 H new ATOM 0 HG23 VAL A 805 -13.633 -10.832 -1.052 1.00 0.00 H new ATOM 1398 N VAL A 806 -12.866 -6.756 -4.057 1.00 0.00 N ATOM 1399 CA VAL A 806 -12.684 -6.138 -5.359 1.00 0.00 C ATOM 1400 C VAL A 806 -11.205 -6.096 -5.722 1.00 0.00 C ATOM 1401 O VAL A 806 -10.359 -5.765 -4.887 1.00 0.00 O ATOM 1402 CB VAL A 806 -13.273 -4.706 -5.381 1.00 0.00 C ATOM 1403 CG1 VAL A 806 -12.807 -3.921 -6.601 1.00 0.00 C ATOM 1404 CG2 VAL A 806 -14.784 -4.773 -5.364 1.00 0.00 C ATOM 0 H VAL A 806 -12.609 -6.151 -3.277 1.00 0.00 H new ATOM 0 HA VAL A 806 -13.216 -6.741 -6.095 1.00 0.00 H new ATOM 0 HB VAL A 806 -12.915 -4.186 -4.493 1.00 0.00 H new ATOM 0 HG11 VAL A 806 -13.242 -2.922 -6.579 1.00 0.00 H new ATOM 0 HG12 VAL A 806 -11.720 -3.843 -6.590 1.00 0.00 H new ATOM 0 HG13 VAL A 806 -13.125 -4.435 -7.508 1.00 0.00 H new ATOM 0 HG21 VAL A 806 -15.193 -3.763 -5.380 1.00 0.00 H new ATOM 0 HG22 VAL A 806 -15.134 -5.320 -6.240 1.00 0.00 H new ATOM 0 HG23 VAL A 806 -15.115 -5.285 -4.460 1.00 0.00 H new ATOM 1414 N GLY A 807 -10.909 -6.449 -6.962 1.00 0.00 N ATOM 1415 CA GLY A 807 -9.534 -6.445 -7.435 1.00 0.00 C ATOM 1416 C GLY A 807 -9.033 -5.036 -7.670 1.00 0.00 C ATOM 1417 O GLY A 807 -9.679 -4.255 -8.369 1.00 0.00 O ATOM 0 H GLY A 807 -11.597 -6.740 -7.656 1.00 0.00 H new ATOM 0 HA2 GLY A 807 -8.895 -6.942 -6.705 1.00 0.00 H new ATOM 0 HA3 GLY A 807 -9.465 -7.016 -8.361 1.00 0.00 H new ATOM 1421 N LEU A 808 -7.888 -4.701 -7.092 1.00 0.00 N ATOM 1422 CA LEU A 808 -7.403 -3.333 -7.127 1.00 0.00 C ATOM 1423 C LEU A 808 -6.373 -3.095 -8.217 1.00 0.00 C ATOM 1424 O LEU A 808 -5.482 -3.912 -8.455 1.00 0.00 O ATOM 1425 CB LEU A 808 -6.822 -2.957 -5.774 1.00 0.00 C ATOM 1426 CG LEU A 808 -7.828 -2.955 -4.634 1.00 0.00 C ATOM 1427 CD1 LEU A 808 -7.179 -2.462 -3.361 1.00 0.00 C ATOM 1428 CD2 LEU A 808 -9.036 -2.122 -4.994 1.00 0.00 C ATOM 0 H LEU A 808 -7.282 -5.355 -6.596 1.00 0.00 H new ATOM 0 HA LEU A 808 -8.259 -2.699 -7.359 1.00 0.00 H new ATOM 0 HB2 LEU A 808 -6.019 -3.653 -5.532 1.00 0.00 H new ATOM 0 HB3 LEU A 808 -6.374 -1.966 -5.848 1.00 0.00 H new ATOM 0 HG LEU A 808 -8.168 -3.977 -4.464 1.00 0.00 H new ATOM 0 HD11 LEU A 808 -7.912 -2.466 -2.554 1.00 0.00 H new ATOM 0 HD12 LEU A 808 -6.347 -3.116 -3.100 1.00 0.00 H new ATOM 0 HD13 LEU A 808 -6.809 -1.447 -3.510 1.00 0.00 H new ATOM 0 HD21 LEU A 808 -9.745 -2.132 -4.166 1.00 0.00 H new ATOM 0 HD22 LEU A 808 -8.725 -1.096 -5.192 1.00 0.00 H new ATOM 0 HD23 LEU A 808 -9.511 -2.535 -5.884 1.00 0.00 H new ATOM 1440 N SER A 809 -6.530 -1.969 -8.893 1.00 0.00 N ATOM 1441 CA SER A 809 -5.544 -1.477 -9.832 1.00 0.00 C ATOM 1442 C SER A 809 -5.578 0.052 -9.841 1.00 0.00 C ATOM 1443 O SER A 809 -6.278 0.674 -10.644 1.00 0.00 O ATOM 1444 CB SER A 809 -5.817 -2.034 -11.233 1.00 0.00 C ATOM 1445 OG SER A 809 -5.825 -3.456 -11.222 1.00 0.00 O ATOM 0 H SER A 809 -7.350 -1.370 -8.803 1.00 0.00 H new ATOM 0 HA SER A 809 -4.552 -1.810 -9.526 1.00 0.00 H new ATOM 0 HB2 SER A 809 -6.776 -1.664 -11.595 1.00 0.00 H new ATOM 0 HB3 SER A 809 -5.055 -1.676 -11.926 1.00 0.00 H new ATOM 0 HG SER A 809 -6.003 -3.789 -12.126 1.00 0.00 H new ATOM 1451 N GLN A 810 -4.827 0.638 -8.921 1.00 0.00 N ATOM 1452 CA GLN A 810 -4.728 2.089 -8.792 1.00 0.00 C ATOM 1453 C GLN A 810 -3.268 2.470 -8.489 1.00 0.00 C ATOM 1454 O GLN A 810 -2.448 1.571 -8.309 1.00 0.00 O ATOM 1455 CB GLN A 810 -5.713 2.571 -7.719 1.00 0.00 C ATOM 1456 CG GLN A 810 -6.750 3.542 -8.273 1.00 0.00 C ATOM 1457 CD GLN A 810 -7.970 3.697 -7.392 1.00 0.00 C ATOM 1458 OE1 GLN A 810 -8.982 3.034 -7.593 1.00 0.00 O ATOM 1459 NE2 GLN A 810 -7.873 4.559 -6.400 1.00 0.00 N ATOM 0 H GLN A 810 -4.268 0.123 -8.241 1.00 0.00 H new ATOM 0 HA GLN A 810 -5.003 2.586 -9.722 1.00 0.00 H new ATOM 0 HB2 GLN A 810 -6.221 1.710 -7.284 1.00 0.00 H new ATOM 0 HB3 GLN A 810 -5.160 3.055 -6.914 1.00 0.00 H new ATOM 0 HG2 GLN A 810 -6.285 4.518 -8.409 1.00 0.00 H new ATOM 0 HG3 GLN A 810 -7.066 3.199 -9.258 1.00 0.00 H new ATOM 0 HE21 GLN A 810 -7.012 5.090 -6.268 1.00 0.00 H new ATOM 0 HE22 GLN A 810 -8.659 4.695 -5.764 1.00 0.00 H new ATOM 1468 N PRO A 811 -2.902 3.776 -8.469 1.00 0.00 N ATOM 1469 CA PRO A 811 -1.498 4.218 -8.332 1.00 0.00 C ATOM 1470 C PRO A 811 -0.684 3.480 -7.264 1.00 0.00 C ATOM 1471 O PRO A 811 -1.160 3.201 -6.162 1.00 0.00 O ATOM 1472 CB PRO A 811 -1.635 5.687 -7.951 1.00 0.00 C ATOM 1473 CG PRO A 811 -2.897 6.129 -8.602 1.00 0.00 C ATOM 1474 CD PRO A 811 -3.810 4.929 -8.622 1.00 0.00 C ATOM 0 HA PRO A 811 -0.950 4.020 -9.253 1.00 0.00 H new ATOM 0 HB2 PRO A 811 -1.682 5.813 -6.869 1.00 0.00 H new ATOM 0 HB3 PRO A 811 -0.783 6.269 -8.303 1.00 0.00 H new ATOM 0 HG2 PRO A 811 -3.350 6.953 -8.050 1.00 0.00 H new ATOM 0 HG3 PRO A 811 -2.707 6.489 -9.613 1.00 0.00 H new ATOM 0 HD2 PRO A 811 -4.539 4.971 -7.813 1.00 0.00 H new ATOM 0 HD3 PRO A 811 -4.371 4.872 -9.555 1.00 0.00 H new ATOM 1482 N ASP A 812 0.558 3.181 -7.626 1.00 0.00 N ATOM 1483 CA ASP A 812 1.517 2.512 -6.748 1.00 0.00 C ATOM 1484 C ASP A 812 2.537 3.507 -6.226 1.00 0.00 C ATOM 1485 O ASP A 812 2.645 4.630 -6.724 1.00 0.00 O ATOM 1486 CB ASP A 812 2.273 1.418 -7.496 1.00 0.00 C ATOM 1487 CG ASP A 812 3.119 1.969 -8.632 1.00 0.00 C ATOM 1488 OD1 ASP A 812 2.551 2.311 -9.693 1.00 0.00 O ATOM 1489 OD2 ASP A 812 4.354 2.079 -8.465 1.00 0.00 O ATOM 0 H ASP A 812 0.934 3.398 -8.549 1.00 0.00 H new ATOM 0 HA ASP A 812 0.952 2.075 -5.924 1.00 0.00 H new ATOM 0 HB2 ASP A 812 2.914 0.881 -6.797 1.00 0.00 H new ATOM 0 HB3 ASP A 812 1.561 0.696 -7.895 1.00 0.00 H new ATOM 1494 N ALA A 813 3.287 3.076 -5.233 1.00 0.00 N ATOM 1495 CA ALA A 813 4.375 3.873 -4.676 1.00 0.00 C ATOM 1496 C ALA A 813 5.667 3.081 -4.744 1.00 0.00 C ATOM 1497 O ALA A 813 5.642 1.855 -4.709 1.00 0.00 O ATOM 1498 CB ALA A 813 4.097 4.278 -3.239 1.00 0.00 C ATOM 0 H ALA A 813 3.165 2.167 -4.786 1.00 0.00 H new ATOM 0 HA ALA A 813 4.463 4.785 -5.267 1.00 0.00 H new ATOM 0 HB1 ALA A 813 4.930 4.870 -2.860 1.00 0.00 H new ATOM 0 HB2 ALA A 813 3.183 4.870 -3.198 1.00 0.00 H new ATOM 0 HB3 ALA A 813 3.978 3.385 -2.626 1.00 0.00 H new ATOM 1504 N LYS A 814 6.787 3.765 -4.834 1.00 0.00 N ATOM 1505 CA LYS A 814 8.062 3.085 -4.927 1.00 0.00 C ATOM 1506 C LYS A 814 8.952 3.424 -3.749 1.00 0.00 C ATOM 1507 O LYS A 814 9.171 4.588 -3.418 1.00 0.00 O ATOM 1508 CB LYS A 814 8.752 3.406 -6.250 1.00 0.00 C ATOM 1509 CG LYS A 814 8.152 2.649 -7.422 1.00 0.00 C ATOM 1510 CD LYS A 814 8.643 3.191 -8.751 1.00 0.00 C ATOM 1511 CE LYS A 814 7.942 2.523 -9.923 1.00 0.00 C ATOM 1512 NZ LYS A 814 6.483 2.822 -9.955 1.00 0.00 N ATOM 0 H LYS A 814 6.842 4.783 -4.845 1.00 0.00 H new ATOM 0 HA LYS A 814 7.873 2.012 -4.897 1.00 0.00 H new ATOM 0 HB2 LYS A 814 8.683 4.477 -6.441 1.00 0.00 H new ATOM 0 HB3 LYS A 814 9.812 3.164 -6.171 1.00 0.00 H new ATOM 0 HG2 LYS A 814 8.409 1.593 -7.343 1.00 0.00 H new ATOM 0 HG3 LYS A 814 7.065 2.717 -7.381 1.00 0.00 H new ATOM 0 HD2 LYS A 814 8.473 4.267 -8.790 1.00 0.00 H new ATOM 0 HD3 LYS A 814 9.719 3.035 -8.833 1.00 0.00 H new ATOM 0 HE2 LYS A 814 8.399 2.856 -10.855 1.00 0.00 H new ATOM 0 HE3 LYS A 814 8.088 1.444 -9.864 1.00 0.00 H new ATOM 0 HZ1 LYS A 814 6.100 2.584 -10.892 1.00 0.00 H new ATOM 0 HZ2 LYS A 814 5.997 2.258 -9.229 1.00 0.00 H new ATOM 0 HZ3 LYS A 814 6.332 3.833 -9.766 1.00 0.00 H new ATOM 1526 N ILE A 815 9.441 2.380 -3.115 1.00 0.00 N ATOM 1527 CA ILE A 815 10.312 2.497 -1.966 1.00 0.00 C ATOM 1528 C ILE A 815 11.672 1.904 -2.318 1.00 0.00 C ATOM 1529 O ILE A 815 11.819 0.688 -2.424 1.00 0.00 O ATOM 1530 CB ILE A 815 9.726 1.750 -0.742 1.00 0.00 C ATOM 1531 CG1 ILE A 815 8.336 2.287 -0.368 1.00 0.00 C ATOM 1532 CG2 ILE A 815 10.663 1.849 0.449 1.00 0.00 C ATOM 1533 CD1 ILE A 815 7.182 1.537 -1.011 1.00 0.00 C ATOM 0 H ILE A 815 9.243 1.417 -3.386 1.00 0.00 H new ATOM 0 HA ILE A 815 10.410 3.551 -1.706 1.00 0.00 H new ATOM 0 HB ILE A 815 9.620 0.701 -1.020 1.00 0.00 H new ATOM 0 HG12 ILE A 815 8.223 2.245 0.715 1.00 0.00 H new ATOM 0 HG13 ILE A 815 8.276 3.337 -0.654 1.00 0.00 H new ATOM 0 HG21 ILE A 815 10.231 1.317 1.297 1.00 0.00 H new ATOM 0 HG22 ILE A 815 11.625 1.404 0.193 1.00 0.00 H new ATOM 0 HG23 ILE A 815 10.807 2.897 0.713 1.00 0.00 H new ATOM 0 HD11 ILE A 815 6.238 1.981 -0.694 1.00 0.00 H new ATOM 0 HD12 ILE A 815 7.266 1.600 -2.096 1.00 0.00 H new ATOM 0 HD13 ILE A 815 7.212 0.491 -0.705 1.00 0.00 H new ATOM 1545 N GLN A 816 12.660 2.759 -2.497 1.00 0.00 N ATOM 1546 CA GLN A 816 13.984 2.309 -2.895 1.00 0.00 C ATOM 1547 C GLN A 816 14.955 2.452 -1.731 1.00 0.00 C ATOM 1548 O GLN A 816 15.381 3.552 -1.386 1.00 0.00 O ATOM 1549 CB GLN A 816 14.471 3.114 -4.097 1.00 0.00 C ATOM 1550 CG GLN A 816 15.723 2.542 -4.744 1.00 0.00 C ATOM 1551 CD GLN A 816 16.970 3.347 -4.433 1.00 0.00 C ATOM 1552 OE1 GLN A 816 17.648 2.999 -3.354 1.00 0.00 O flip ATOM 1553 NE2 GLN A 816 17.323 4.272 -5.164 1.00 0.00 N flip ATOM 0 H GLN A 816 12.574 3.768 -2.374 1.00 0.00 H new ATOM 0 HA GLN A 816 13.932 1.258 -3.178 1.00 0.00 H new ATOM 0 HB2 GLN A 816 13.675 3.159 -4.841 1.00 0.00 H new ATOM 0 HB3 GLN A 816 14.670 4.138 -3.782 1.00 0.00 H new ATOM 0 HG2 GLN A 816 15.865 1.516 -4.404 1.00 0.00 H new ATOM 0 HG3 GLN A 816 15.582 2.503 -5.824 1.00 0.00 H new ATOM 0 HE21 GLN A 816 16.771 4.509 -5.988 1.00 0.00 H new ATOM 0 HE22 GLN A 816 18.167 4.801 -4.945 1.00 0.00 H new ATOM 1562 N VAL A 817 15.324 1.332 -1.154 1.00 0.00 N ATOM 1563 CA VAL A 817 16.220 1.323 -0.012 1.00 0.00 C ATOM 1564 C VAL A 817 17.615 0.934 -0.475 1.00 0.00 C ATOM 1565 O VAL A 817 17.772 0.212 -1.453 1.00 0.00 O ATOM 1566 CB VAL A 817 15.688 0.418 1.131 1.00 0.00 C ATOM 1567 CG1 VAL A 817 14.295 -0.071 0.833 1.00 0.00 C ATOM 1568 CG2 VAL A 817 16.607 -0.699 1.450 1.00 0.00 C ATOM 0 H VAL A 817 15.017 0.407 -1.456 1.00 0.00 H new ATOM 0 HA VAL A 817 16.271 2.325 0.415 1.00 0.00 H new ATOM 0 HB VAL A 817 15.640 1.036 2.028 1.00 0.00 H new ATOM 0 HG11 VAL A 817 13.948 -0.703 1.651 1.00 0.00 H new ATOM 0 HG12 VAL A 817 13.625 0.782 0.724 1.00 0.00 H new ATOM 0 HG13 VAL A 817 14.302 -0.647 -0.092 1.00 0.00 H new ATOM 0 HG21 VAL A 817 16.185 -1.299 2.256 1.00 0.00 H new ATOM 0 HG22 VAL A 817 16.742 -1.322 0.566 1.00 0.00 H new ATOM 0 HG23 VAL A 817 17.571 -0.299 1.763 1.00 0.00 H new ATOM 1578 N ARG A 818 18.620 1.474 0.174 1.00 0.00 N ATOM 1579 CA ARG A 818 19.990 1.310 -0.280 1.00 0.00 C ATOM 1580 C ARG A 818 20.922 1.271 0.918 1.00 0.00 C ATOM 1581 O ARG A 818 20.594 1.801 1.969 1.00 0.00 O ATOM 1582 CB ARG A 818 20.348 2.491 -1.189 1.00 0.00 C ATOM 1583 CG ARG A 818 21.539 2.257 -2.099 1.00 0.00 C ATOM 1584 CD ARG A 818 21.202 1.287 -3.217 1.00 0.00 C ATOM 1585 NE ARG A 818 22.338 1.071 -4.109 1.00 0.00 N ATOM 1586 CZ ARG A 818 22.260 0.446 -5.283 1.00 0.00 C ATOM 1587 NH1 ARG A 818 21.090 -0.009 -5.721 1.00 0.00 N ATOM 1588 NH2 ARG A 818 23.352 0.282 -6.018 1.00 0.00 N ATOM 0 H ARG A 818 18.519 2.033 1.021 1.00 0.00 H new ATOM 0 HA ARG A 818 20.094 0.377 -0.833 1.00 0.00 H new ATOM 0 HB2 ARG A 818 19.481 2.733 -1.804 1.00 0.00 H new ATOM 0 HB3 ARG A 818 20.551 3.362 -0.566 1.00 0.00 H new ATOM 0 HG2 ARG A 818 21.865 3.206 -2.525 1.00 0.00 H new ATOM 0 HG3 ARG A 818 22.373 1.866 -1.516 1.00 0.00 H new ATOM 0 HD2 ARG A 818 20.889 0.334 -2.790 1.00 0.00 H new ATOM 0 HD3 ARG A 818 20.358 1.672 -3.790 1.00 0.00 H new ATOM 0 HE ARG A 818 23.250 1.421 -3.814 1.00 0.00 H new ATOM 0 HH11 ARG A 818 20.249 0.120 -5.158 1.00 0.00 H new ATOM 0 HH12 ARG A 818 21.033 -0.487 -6.620 1.00 0.00 H new ATOM 0 HH21 ARG A 818 24.249 0.634 -5.684 1.00 0.00 H new ATOM 0 HH22 ARG A 818 23.295 -0.196 -6.917 1.00 0.00 H new