USER MOD reduce.3.24.130724 H: found=0, std=0, add=764, rem=0, adj=30 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 732 LYS NZ :NH3+ 157:sc= 1.3 (180deg=0) USER MOD Set 1.2: A 816 GLN : amide:sc= -1.25 K(o=0.051,f=-8.5!) USER MOD Set 2.1: A 802 THR OG1 : rot -89:sc= 2.35 USER MOD Set 2.2: A 804 CYS SG : rot 105:sc= 1.14 USER MOD Set 3.1: A 778 TYR OH : rot 180:sc= 0 USER MOD Set 3.2: A 781 LYS NZ :NH3+ 154:sc= 1.23 (180deg=1.08) USER MOD Set 4.1: A 748 GLN : amide:sc= -0.014 K(o=-0.17,f=-0.69) USER MOD Set 4.2: A 776 ASN : amide:sc= -0.151 K(o=-0.17,f=-0.82) USER MOD Set 5.1: A 739 SER OG : rot 52:sc= -0.126 USER MOD Set 5.2: A 782 THR OG1 : rot -23:sc= 1.03 USER MOD Set 6.1: A 722 SER OG : rot 150:sc= -0.85! USER MOD Set 6.2: A 810 GLN : amide:sc= -1.46 X(o=-2.3,f=-2.5!) USER MOD Single : A 720 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 724 SER OG : rot 180:sc= 0 USER MOD Single : A 726 LYS NZ :NH3+ -129:sc= -0.64 (180deg=-1.92) USER MOD Single : A 728 HIS : no HD1:sc= 0 X(o=0,f=-0.0032) USER MOD Single : A 729 HIS : no HE2:sc= 0.177 K(o=0.18,f=-0.91) USER MOD Single : A 734 CYS SG : rot 180:sc= 0 USER MOD Single : A 738 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 740 SER OG : rot 180:sc= -0.077 USER MOD Single : A 746 LYS NZ :NH3+ -162:sc= -0.0275 (180deg=-0.316) USER MOD Single : A 752 THR OG1 : rot -170:sc= 0 USER MOD Single : A 754 THR OG1 : rot 78:sc= 0.0427 USER MOD Single : A 755 TYR OH : rot 130:sc= -0.0639 USER MOD Single : A 760 THR OG1 : rot -7:sc= 0.585 USER MOD Single : A 766 LYS NZ :NH3+ 138:sc= 0 (180deg=-0.036) USER MOD Single : A 767 THR OG1 : rot 180:sc= 0 USER MOD Single : A 771 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0325) 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 786 THR OG1 : rot 180:sc= 0 USER MOD Single : A 787 THR OG1 : rot 180:sc= -0.235 USER MOD Single : A 791 TYR OH : rot -133:sc= 0.725 USER MOD Single : A 794 SER OG : rot 180:sc= -0.15 USER MOD Single : A 797 SER OG : rot 4:sc= 1.18 USER MOD Single : A 799 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 801 SER OG : rot 180:sc= 0.00105 USER MOD Single : A 809 SER OG : rot 180:sc= 0 USER MOD Single : A 814 LYS NZ :NH3+ -121:sc= 1.12 (180deg=0.438) USER MOD ----------------------------------------------------------------- ATOM 41 N LYS A 720 -16.861 1.760 -5.524 1.00 0.00 N ATOM 42 CA LYS A 720 -15.592 1.295 -6.041 1.00 0.00 C ATOM 43 C LYS A 720 -14.521 1.490 -4.985 1.00 0.00 C ATOM 44 O LYS A 720 -13.815 2.496 -4.979 1.00 0.00 O ATOM 45 CB LYS A 720 -15.197 2.029 -7.318 1.00 0.00 C ATOM 46 CG LYS A 720 -16.132 1.789 -8.494 1.00 0.00 C ATOM 47 CD LYS A 720 -15.632 2.487 -9.751 1.00 0.00 C ATOM 48 CE LYS A 720 -14.268 1.961 -10.177 1.00 0.00 C ATOM 49 NZ LYS A 720 -13.746 2.664 -11.378 1.00 0.00 N ATOM 0 HA LYS A 720 -15.692 0.238 -6.286 1.00 0.00 H new ATOM 0 HB2 LYS A 720 -15.160 3.099 -7.111 1.00 0.00 H new ATOM 0 HB3 LYS A 720 -14.190 1.724 -7.602 1.00 0.00 H new ATOM 0 HG2 LYS A 720 -16.218 0.718 -8.680 1.00 0.00 H new ATOM 0 HG3 LYS A 720 -17.130 2.151 -8.247 1.00 0.00 H new ATOM 0 HD2 LYS A 720 -16.348 2.340 -10.559 1.00 0.00 H new ATOM 0 HD3 LYS A 720 -15.569 3.560 -9.572 1.00 0.00 H new ATOM 0 HE2 LYS A 720 -13.562 2.077 -9.354 1.00 0.00 H new ATOM 0 HE3 LYS A 720 -14.341 0.894 -10.386 1.00 0.00 H new ATOM 0 HZ1 LYS A 720 -12.816 2.274 -11.632 1.00 0.00 H new ATOM 0 HZ2 LYS A 720 -14.405 2.532 -12.171 1.00 0.00 H new ATOM 0 HZ3 LYS A 720 -13.651 3.679 -11.172 1.00 0.00 H new ATOM 63 N PRO A 721 -14.386 0.526 -4.079 1.00 0.00 N ATOM 64 CA PRO A 721 -13.474 0.635 -2.959 1.00 0.00 C ATOM 65 C PRO A 721 -12.060 0.248 -3.355 1.00 0.00 C ATOM 66 O PRO A 721 -11.866 -0.645 -4.181 1.00 0.00 O ATOM 67 CB PRO A 721 -14.055 -0.334 -1.939 1.00 0.00 C ATOM 68 CG PRO A 721 -14.876 -1.321 -2.718 1.00 0.00 C ATOM 69 CD PRO A 721 -15.082 -0.768 -4.102 1.00 0.00 C ATOM 0 HA PRO A 721 -13.390 1.652 -2.576 1.00 0.00 H new ATOM 0 HB2 PRO A 721 -13.263 -0.838 -1.386 1.00 0.00 H new ATOM 0 HB3 PRO A 721 -14.669 0.192 -1.208 1.00 0.00 H new ATOM 0 HG2 PRO A 721 -14.369 -2.285 -2.765 1.00 0.00 H new ATOM 0 HG3 PRO A 721 -15.835 -1.489 -2.228 1.00 0.00 H new ATOM 0 HD2 PRO A 721 -14.667 -1.430 -4.862 1.00 0.00 H new ATOM 0 HD3 PRO A 721 -16.141 -0.647 -4.329 1.00 0.00 H new ATOM 77 N SER A 722 -11.076 0.915 -2.765 1.00 0.00 N ATOM 78 CA SER A 722 -9.699 0.760 -3.200 1.00 0.00 C ATOM 79 C SER A 722 -8.789 1.686 -2.396 1.00 0.00 C ATOM 80 O SER A 722 -9.099 2.032 -1.258 1.00 0.00 O ATOM 81 CB SER A 722 -9.616 1.088 -4.706 1.00 0.00 C ATOM 82 OG SER A 722 -8.329 0.835 -5.249 1.00 0.00 O ATOM 0 H SER A 722 -11.207 1.564 -1.989 1.00 0.00 H new ATOM 0 HA SER A 722 -9.368 -0.265 -3.034 1.00 0.00 H new ATOM 0 HB2 SER A 722 -10.356 0.496 -5.244 1.00 0.00 H new ATOM 0 HB3 SER A 722 -9.872 2.136 -4.861 1.00 0.00 H new ATOM 0 HG SER A 722 -8.415 0.586 -6.193 1.00 0.00 H new ATOM 88 N ALA A 723 -7.673 2.078 -2.987 1.00 0.00 N ATOM 89 CA ALA A 723 -6.722 2.952 -2.331 1.00 0.00 C ATOM 90 C ALA A 723 -5.984 3.806 -3.359 1.00 0.00 C ATOM 91 O ALA A 723 -5.698 3.340 -4.456 1.00 0.00 O ATOM 92 CB ALA A 723 -5.747 2.125 -1.514 1.00 0.00 C ATOM 0 H ALA A 723 -7.404 1.800 -3.931 1.00 0.00 H new ATOM 0 HA ALA A 723 -7.258 3.624 -1.660 1.00 0.00 H new ATOM 0 HB1 ALA A 723 -5.033 2.785 -1.022 1.00 0.00 H new ATOM 0 HB2 ALA A 723 -6.294 1.556 -0.762 1.00 0.00 H new ATOM 0 HB3 ALA A 723 -5.213 1.438 -2.171 1.00 0.00 H new ATOM 98 N SER A 724 -5.691 5.052 -3.017 1.00 0.00 N ATOM 99 CA SER A 724 -4.968 5.932 -3.922 1.00 0.00 C ATOM 100 C SER A 724 -3.802 6.572 -3.183 1.00 0.00 C ATOM 101 O SER A 724 -3.995 7.478 -2.367 1.00 0.00 O ATOM 102 CB SER A 724 -5.904 7.008 -4.483 1.00 0.00 C ATOM 103 OG SER A 724 -5.268 7.770 -5.497 1.00 0.00 O ATOM 0 H SER A 724 -5.942 5.475 -2.123 1.00 0.00 H new ATOM 0 HA SER A 724 -4.583 5.348 -4.758 1.00 0.00 H new ATOM 0 HB2 SER A 724 -6.800 6.538 -4.887 1.00 0.00 H new ATOM 0 HB3 SER A 724 -6.226 7.668 -3.678 1.00 0.00 H new ATOM 0 HG SER A 724 -5.890 8.447 -5.836 1.00 0.00 H new ATOM 109 N LEU A 725 -2.597 6.084 -3.442 1.00 0.00 N ATOM 110 CA LEU A 725 -1.430 6.541 -2.729 1.00 0.00 C ATOM 111 C LEU A 725 -1.141 8.011 -2.999 1.00 0.00 C ATOM 112 O LEU A 725 -1.427 8.538 -4.074 1.00 0.00 O ATOM 113 CB LEU A 725 -0.228 5.698 -3.103 1.00 0.00 C ATOM 114 CG LEU A 725 -0.488 4.191 -3.179 1.00 0.00 C ATOM 115 CD1 LEU A 725 0.808 3.467 -3.408 1.00 0.00 C ATOM 116 CD2 LEU A 725 -1.143 3.683 -1.912 1.00 0.00 C ATOM 0 H LEU A 725 -2.410 5.369 -4.145 1.00 0.00 H new ATOM 0 HA LEU A 725 -1.632 6.434 -1.663 1.00 0.00 H new ATOM 0 HB2 LEU A 725 0.146 6.035 -4.070 1.00 0.00 H new ATOM 0 HB3 LEU A 725 0.563 5.878 -2.375 1.00 0.00 H new ATOM 0 HG LEU A 725 -1.167 4.002 -4.010 1.00 0.00 H new ATOM 0 HD11 LEU A 725 0.621 2.395 -3.462 1.00 0.00 H new ATOM 0 HD12 LEU A 725 1.253 3.805 -4.344 1.00 0.00 H new ATOM 0 HD13 LEU A 725 1.491 3.675 -2.585 1.00 0.00 H new ATOM 0 HD21 LEU A 725 -1.315 2.610 -1.996 1.00 0.00 H new ATOM 0 HD22 LEU A 725 -0.491 3.880 -1.061 1.00 0.00 H new ATOM 0 HD23 LEU A 725 -2.095 4.193 -1.765 1.00 0.00 H new ATOM 128 N LYS A 726 -0.570 8.652 -2.001 1.00 0.00 N ATOM 129 CA LYS A 726 -0.299 10.080 -2.034 1.00 0.00 C ATOM 130 C LYS A 726 1.192 10.335 -2.213 1.00 0.00 C ATOM 131 O LYS A 726 1.619 11.466 -2.439 1.00 0.00 O ATOM 132 CB LYS A 726 -0.801 10.717 -0.752 1.00 0.00 C ATOM 133 CG LYS A 726 -2.194 10.244 -0.390 1.00 0.00 C ATOM 134 CD LYS A 726 -2.861 11.150 0.617 1.00 0.00 C ATOM 135 CE LYS A 726 -3.253 12.472 -0.015 1.00 0.00 C ATOM 136 NZ LYS A 726 -4.231 12.318 -1.126 1.00 0.00 N ATOM 0 H LYS A 726 -0.278 8.197 -1.136 1.00 0.00 H new ATOM 0 HA LYS A 726 -0.820 10.526 -2.881 1.00 0.00 H new ATOM 0 HB2 LYS A 726 -0.115 10.482 0.062 1.00 0.00 H new ATOM 0 HB3 LYS A 726 -0.804 11.801 -0.863 1.00 0.00 H new ATOM 0 HG2 LYS A 726 -2.805 10.194 -1.292 1.00 0.00 H new ATOM 0 HG3 LYS A 726 -2.139 9.233 0.014 1.00 0.00 H new ATOM 0 HD2 LYS A 726 -3.746 10.660 1.022 1.00 0.00 H new ATOM 0 HD3 LYS A 726 -2.186 11.329 1.453 1.00 0.00 H new ATOM 0 HE2 LYS A 726 -3.679 13.122 0.749 1.00 0.00 H new ATOM 0 HE3 LYS A 726 -2.358 12.968 -0.392 1.00 0.00 H new ATOM 0 HZ1 LYS A 726 -3.886 12.826 -1.965 1.00 0.00 H new ATOM 0 HZ2 LYS A 726 -4.342 11.309 -1.354 1.00 0.00 H new ATOM 0 HZ3 LYS A 726 -5.150 12.711 -0.837 1.00 0.00 H new ATOM 150 N LEU A 727 1.982 9.275 -2.097 1.00 0.00 N ATOM 151 CA LEU A 727 3.414 9.367 -2.322 1.00 0.00 C ATOM 152 C LEU A 727 3.665 9.311 -3.830 1.00 0.00 C ATOM 153 O LEU A 727 3.452 8.278 -4.463 1.00 0.00 O ATOM 154 CB LEU A 727 4.146 8.223 -1.597 1.00 0.00 C ATOM 155 CG LEU A 727 5.581 8.523 -1.136 1.00 0.00 C ATOM 156 CD1 LEU A 727 6.472 8.899 -2.306 1.00 0.00 C ATOM 157 CD2 LEU A 727 5.590 9.628 -0.090 1.00 0.00 C ATOM 0 H LEU A 727 1.652 8.342 -1.848 1.00 0.00 H new ATOM 0 HA LEU A 727 3.799 10.305 -1.922 1.00 0.00 H new ATOM 0 HB2 LEU A 727 3.558 7.938 -0.725 1.00 0.00 H new ATOM 0 HB3 LEU A 727 4.172 7.358 -2.260 1.00 0.00 H new ATOM 0 HG LEU A 727 5.979 7.613 -0.688 1.00 0.00 H new ATOM 0 HD11 LEU A 727 7.480 9.105 -1.945 1.00 0.00 H new ATOM 0 HD12 LEU A 727 6.503 8.075 -3.019 1.00 0.00 H new ATOM 0 HD13 LEU A 727 6.074 9.788 -2.796 1.00 0.00 H new ATOM 0 HD21 LEU A 727 6.615 9.825 0.223 1.00 0.00 H new ATOM 0 HD22 LEU A 727 5.160 10.535 -0.515 1.00 0.00 H new ATOM 0 HD23 LEU A 727 5.001 9.317 0.773 1.00 0.00 H new ATOM 169 N HIS A 728 4.105 10.423 -4.400 1.00 0.00 N ATOM 170 CA HIS A 728 4.154 10.571 -5.853 1.00 0.00 C ATOM 171 C HIS A 728 5.567 10.431 -6.414 1.00 0.00 C ATOM 172 O HIS A 728 5.932 11.130 -7.356 1.00 0.00 O ATOM 173 CB HIS A 728 3.580 11.932 -6.255 1.00 0.00 C ATOM 174 CG HIS A 728 2.136 12.102 -5.903 1.00 0.00 C ATOM 175 ND1 HIS A 728 1.675 13.086 -5.058 1.00 0.00 N ATOM 176 CD2 HIS A 728 1.044 11.411 -6.301 1.00 0.00 C ATOM 177 CE1 HIS A 728 0.364 12.989 -4.950 1.00 0.00 C ATOM 178 NE2 HIS A 728 -0.046 11.980 -5.694 1.00 0.00 N ATOM 0 H HIS A 728 4.434 11.238 -3.882 1.00 0.00 H new ATOM 0 HA HIS A 728 3.555 9.764 -6.275 1.00 0.00 H new ATOM 0 HB2 HIS A 728 4.158 12.718 -5.770 1.00 0.00 H new ATOM 0 HB3 HIS A 728 3.701 12.065 -7.330 1.00 0.00 H new ATOM 0 HD2 HIS A 728 1.032 10.566 -6.974 1.00 0.00 H new ATOM 0 HE1 HIS A 728 -0.268 13.629 -4.352 1.00 0.00 H new ATOM 0 HE2 HIS A 728 -1.013 11.674 -5.800 1.00 0.00 H new ATOM 187 N HIS A 729 6.358 9.530 -5.844 1.00 0.00 N ATOM 188 CA HIS A 729 7.714 9.277 -6.336 1.00 0.00 C ATOM 189 C HIS A 729 8.343 8.106 -5.603 1.00 0.00 C ATOM 190 O HIS A 729 7.698 7.465 -4.774 1.00 0.00 O ATOM 191 CB HIS A 729 8.621 10.512 -6.213 1.00 0.00 C ATOM 192 CG HIS A 729 8.711 11.070 -4.832 1.00 0.00 C ATOM 193 ND1 HIS A 729 9.807 10.914 -4.011 1.00 0.00 N ATOM 194 CD2 HIS A 729 7.820 11.797 -4.136 1.00 0.00 C ATOM 195 CE1 HIS A 729 9.579 11.525 -2.864 1.00 0.00 C ATOM 196 NE2 HIS A 729 8.378 12.071 -2.914 1.00 0.00 N ATOM 0 H HIS A 729 6.088 8.961 -5.042 1.00 0.00 H new ATOM 0 HA HIS A 729 7.622 9.036 -7.395 1.00 0.00 H new ATOM 0 HB2 HIS A 729 9.623 10.248 -6.552 1.00 0.00 H new ATOM 0 HB3 HIS A 729 8.252 11.288 -6.883 1.00 0.00 H new ATOM 0 HD1 HIS A 729 10.659 10.407 -4.252 1.00 0.00 H new ATOM 0 HD2 HIS A 729 6.844 12.108 -4.477 1.00 0.00 H new ATOM 0 HE1 HIS A 729 10.259 11.571 -2.026 1.00 0.00 H new ATOM 205 N ASP A 730 9.595 7.824 -5.924 1.00 0.00 N ATOM 206 CA ASP A 730 10.338 6.770 -5.258 1.00 0.00 C ATOM 207 C ASP A 730 10.887 7.270 -3.927 1.00 0.00 C ATOM 208 O ASP A 730 11.323 8.418 -3.808 1.00 0.00 O ATOM 209 CB ASP A 730 11.472 6.259 -6.156 1.00 0.00 C ATOM 210 CG ASP A 730 12.445 7.347 -6.563 1.00 0.00 C ATOM 211 OD1 ASP A 730 12.053 8.243 -7.343 1.00 0.00 O ATOM 212 OD2 ASP A 730 13.611 7.300 -6.128 1.00 0.00 O ATOM 0 H ASP A 730 10.120 8.315 -6.647 1.00 0.00 H new ATOM 0 HA ASP A 730 9.661 5.939 -5.061 1.00 0.00 H new ATOM 0 HB2 ASP A 730 12.015 5.472 -5.633 1.00 0.00 H new ATOM 0 HB3 ASP A 730 11.043 5.810 -7.052 1.00 0.00 H new ATOM 217 N LEU A 731 10.821 6.410 -2.924 1.00 0.00 N ATOM 218 CA LEU A 731 11.271 6.738 -1.584 1.00 0.00 C ATOM 219 C LEU A 731 12.751 6.445 -1.413 1.00 0.00 C ATOM 220 O LEU A 731 13.178 5.305 -1.521 1.00 0.00 O ATOM 221 CB LEU A 731 10.450 5.953 -0.566 1.00 0.00 C ATOM 222 CG LEU A 731 9.069 6.531 -0.309 1.00 0.00 C ATOM 223 CD1 LEU A 731 8.259 5.627 0.600 1.00 0.00 C ATOM 224 CD2 LEU A 731 9.168 7.929 0.286 1.00 0.00 C ATOM 0 H LEU A 731 10.453 5.463 -3.018 1.00 0.00 H new ATOM 0 HA LEU A 731 11.126 7.806 -1.420 1.00 0.00 H new ATOM 0 HB2 LEU A 731 10.344 4.926 -0.915 1.00 0.00 H new ATOM 0 HB3 LEU A 731 10.998 5.915 0.376 1.00 0.00 H new ATOM 0 HG LEU A 731 8.555 6.599 -1.268 1.00 0.00 H new ATOM 0 HD11 LEU A 731 7.275 6.066 0.767 1.00 0.00 H new ATOM 0 HD12 LEU A 731 8.146 4.649 0.133 1.00 0.00 H new ATOM 0 HD13 LEU A 731 8.773 5.516 1.555 1.00 0.00 H new ATOM 0 HD21 LEU A 731 8.166 8.322 0.461 1.00 0.00 H new ATOM 0 HD22 LEU A 731 9.711 7.885 1.230 1.00 0.00 H new ATOM 0 HD23 LEU A 731 9.698 8.583 -0.407 1.00 0.00 H new ATOM 236 N LYS A 732 13.526 7.482 -1.154 1.00 0.00 N ATOM 237 CA LYS A 732 14.967 7.345 -0.995 1.00 0.00 C ATOM 238 C LYS A 732 15.306 6.932 0.435 1.00 0.00 C ATOM 239 O LYS A 732 15.086 7.696 1.376 1.00 0.00 O ATOM 240 CB LYS A 732 15.652 8.664 -1.347 1.00 0.00 C ATOM 241 CG LYS A 732 15.190 9.239 -2.676 1.00 0.00 C ATOM 242 CD LYS A 732 15.586 8.361 -3.855 1.00 0.00 C ATOM 243 CE LYS A 732 17.076 8.430 -4.133 1.00 0.00 C ATOM 244 NZ LYS A 732 17.458 7.586 -5.295 1.00 0.00 N ATOM 0 H LYS A 732 13.181 8.436 -1.048 1.00 0.00 H new ATOM 0 HA LYS A 732 15.327 6.569 -1.670 1.00 0.00 H new ATOM 0 HB2 LYS A 732 15.458 9.389 -0.557 1.00 0.00 H new ATOM 0 HB3 LYS A 732 16.730 8.509 -1.380 1.00 0.00 H new ATOM 0 HG2 LYS A 732 14.106 9.357 -2.661 1.00 0.00 H new ATOM 0 HG3 LYS A 732 15.617 10.233 -2.807 1.00 0.00 H new ATOM 0 HD2 LYS A 732 15.302 7.329 -3.651 1.00 0.00 H new ATOM 0 HD3 LYS A 732 15.036 8.674 -4.742 1.00 0.00 H new ATOM 0 HE2 LYS A 732 17.363 9.464 -4.324 1.00 0.00 H new ATOM 0 HE3 LYS A 732 17.626 8.105 -3.250 1.00 0.00 H new ATOM 0 HZ1 LYS A 732 18.351 7.934 -5.698 1.00 0.00 H new ATOM 0 HZ2 LYS A 732 17.579 6.601 -4.984 1.00 0.00 H new ATOM 0 HZ3 LYS A 732 16.711 7.631 -6.017 1.00 0.00 H new ATOM 258 N LEU A 733 15.821 5.719 0.595 1.00 0.00 N ATOM 259 CA LEU A 733 16.100 5.172 1.919 1.00 0.00 C ATOM 260 C LEU A 733 17.498 4.576 2.004 1.00 0.00 C ATOM 261 O LEU A 733 18.111 4.229 0.987 1.00 0.00 O ATOM 262 CB LEU A 733 15.080 4.086 2.255 1.00 0.00 C ATOM 263 CG LEU A 733 13.623 4.536 2.216 1.00 0.00 C ATOM 264 CD1 LEU A 733 12.704 3.336 2.267 1.00 0.00 C ATOM 265 CD2 LEU A 733 13.326 5.478 3.370 1.00 0.00 C ATOM 0 H LEU A 733 16.055 5.094 -0.176 1.00 0.00 H new ATOM 0 HA LEU A 733 16.033 5.994 2.632 1.00 0.00 H new ATOM 0 HB2 LEU A 733 15.208 3.259 1.556 1.00 0.00 H new ATOM 0 HB3 LEU A 733 15.298 3.699 3.250 1.00 0.00 H new ATOM 0 HG LEU A 733 13.450 5.070 1.282 1.00 0.00 H new ATOM 0 HD11 LEU A 733 11.667 3.670 2.239 1.00 0.00 H new ATOM 0 HD12 LEU A 733 12.901 2.690 1.411 1.00 0.00 H new ATOM 0 HD13 LEU A 733 12.881 2.781 3.188 1.00 0.00 H new ATOM 0 HD21 LEU A 733 12.282 5.789 3.326 1.00 0.00 H new ATOM 0 HD22 LEU A 733 13.513 4.967 4.314 1.00 0.00 H new ATOM 0 HD23 LEU A 733 13.969 6.355 3.298 1.00 0.00 H new ATOM 277 N CYS A 734 17.982 4.449 3.230 1.00 0.00 N ATOM 278 CA CYS A 734 19.269 3.840 3.505 1.00 0.00 C ATOM 279 C CYS A 734 19.076 2.433 4.059 1.00 0.00 C ATOM 280 O CYS A 734 17.962 1.916 4.098 1.00 0.00 O ATOM 281 CB CYS A 734 20.053 4.703 4.492 1.00 0.00 C ATOM 282 SG CYS A 734 20.352 6.388 3.909 1.00 0.00 S ATOM 0 H CYS A 734 17.489 4.768 4.064 1.00 0.00 H new ATOM 0 HA CYS A 734 19.836 3.770 2.577 1.00 0.00 H new ATOM 0 HB2 CYS A 734 19.508 4.746 5.435 1.00 0.00 H new ATOM 0 HB3 CYS A 734 21.010 4.224 4.698 1.00 0.00 H new ATOM 0 HG CYS A 734 21.020 7.047 4.809 1.00 0.00 H new ATOM 288 N LEU A 735 20.162 1.814 4.471 1.00 0.00 N ATOM 289 CA LEU A 735 20.123 0.459 4.989 1.00 0.00 C ATOM 290 C LEU A 735 19.521 0.417 6.376 1.00 0.00 C ATOM 291 O LEU A 735 19.851 1.231 7.239 1.00 0.00 O ATOM 292 CB LEU A 735 21.524 -0.112 5.000 1.00 0.00 C ATOM 293 CG LEU A 735 21.711 -1.463 5.682 1.00 0.00 C ATOM 294 CD1 LEU A 735 21.180 -2.584 4.806 1.00 0.00 C ATOM 295 CD2 LEU A 735 23.179 -1.677 5.988 1.00 0.00 C ATOM 0 H LEU A 735 21.093 2.231 4.457 1.00 0.00 H new ATOM 0 HA LEU A 735 19.489 -0.145 4.340 1.00 0.00 H new ATOM 0 HB2 LEU A 735 21.862 -0.203 3.968 1.00 0.00 H new ATOM 0 HB3 LEU A 735 22.181 0.608 5.488 1.00 0.00 H new ATOM 0 HG LEU A 735 21.147 -1.470 6.615 1.00 0.00 H new ATOM 0 HD11 LEU A 735 21.323 -3.539 5.311 1.00 0.00 H new ATOM 0 HD12 LEU A 735 20.118 -2.428 4.619 1.00 0.00 H new ATOM 0 HD13 LEU A 735 21.718 -2.591 3.858 1.00 0.00 H new ATOM 0 HD21 LEU A 735 23.312 -2.643 6.475 1.00 0.00 H new ATOM 0 HD22 LEU A 735 23.751 -1.657 5.060 1.00 0.00 H new ATOM 0 HD23 LEU A 735 23.532 -0.885 6.649 1.00 0.00 H new ATOM 307 N GLY A 736 18.633 -0.537 6.577 1.00 0.00 N ATOM 308 CA GLY A 736 17.940 -0.638 7.842 1.00 0.00 C ATOM 309 C GLY A 736 16.882 0.433 7.975 1.00 0.00 C ATOM 310 O GLY A 736 16.351 0.670 9.061 1.00 0.00 O ATOM 0 H GLY A 736 18.378 -1.245 5.888 1.00 0.00 H new ATOM 0 HA2 GLY A 736 17.478 -1.621 7.929 1.00 0.00 H new ATOM 0 HA3 GLY A 736 18.656 -0.549 8.659 1.00 0.00 H new ATOM 314 N ASP A 737 16.598 1.107 6.871 1.00 0.00 N ATOM 315 CA ASP A 737 15.540 2.116 6.855 1.00 0.00 C ATOM 316 C ASP A 737 14.179 1.483 6.611 1.00 0.00 C ATOM 317 O ASP A 737 14.069 0.441 5.968 1.00 0.00 O ATOM 318 CB ASP A 737 15.789 3.164 5.774 1.00 0.00 C ATOM 319 CG ASP A 737 16.048 4.545 6.338 1.00 0.00 C ATOM 320 OD1 ASP A 737 15.184 5.074 7.070 1.00 0.00 O ATOM 321 OD2 ASP A 737 17.113 5.121 6.035 1.00 0.00 O ATOM 0 H ASP A 737 17.078 0.978 5.980 1.00 0.00 H new ATOM 0 HA ASP A 737 15.549 2.595 7.834 1.00 0.00 H new ATOM 0 HB2 ASP A 737 16.643 2.858 5.169 1.00 0.00 H new ATOM 0 HB3 ASP A 737 14.926 3.205 5.109 1.00 0.00 H new ATOM 326 N HIS A 738 13.155 2.110 7.157 1.00 0.00 N ATOM 327 CA HIS A 738 11.779 1.779 6.831 1.00 0.00 C ATOM 328 C HIS A 738 11.177 2.982 6.124 1.00 0.00 C ATOM 329 O HIS A 738 11.820 4.028 6.036 1.00 0.00 O ATOM 330 CB HIS A 738 10.968 1.428 8.094 1.00 0.00 C ATOM 331 CG HIS A 738 10.507 2.612 8.900 1.00 0.00 C ATOM 332 ND1 HIS A 738 11.329 3.310 9.757 1.00 0.00 N ATOM 333 CD2 HIS A 738 9.294 3.219 8.971 1.00 0.00 C ATOM 334 CE1 HIS A 738 10.647 4.289 10.320 1.00 0.00 C ATOM 335 NE2 HIS A 738 9.411 4.257 9.861 1.00 0.00 N ATOM 0 H HIS A 738 13.252 2.863 7.839 1.00 0.00 H new ATOM 0 HA HIS A 738 11.751 0.899 6.188 1.00 0.00 H new ATOM 0 HB2 HIS A 738 10.095 0.847 7.798 1.00 0.00 H new ATOM 0 HB3 HIS A 738 11.576 0.787 8.732 1.00 0.00 H new ATOM 0 HD2 HIS A 738 8.404 2.937 8.428 1.00 0.00 H new ATOM 0 HE1 HIS A 738 11.036 4.998 11.036 1.00 0.00 H new ATOM 0 HE2 HIS A 738 8.664 4.899 10.125 1.00 0.00 H new ATOM 344 N SER A 739 9.957 2.863 5.653 1.00 0.00 N ATOM 345 CA SER A 739 9.339 3.971 4.940 1.00 0.00 C ATOM 346 C SER A 739 7.874 4.132 5.300 1.00 0.00 C ATOM 347 O SER A 739 7.270 3.256 5.919 1.00 0.00 O ATOM 348 CB SER A 739 9.497 3.790 3.431 1.00 0.00 C ATOM 349 OG SER A 739 9.850 2.460 3.109 1.00 0.00 O ATOM 0 H SER A 739 9.377 2.029 5.745 1.00 0.00 H new ATOM 0 HA SER A 739 9.854 4.882 5.246 1.00 0.00 H new ATOM 0 HB2 SER A 739 8.565 4.053 2.931 1.00 0.00 H new ATOM 0 HB3 SER A 739 10.261 4.472 3.059 1.00 0.00 H new ATOM 0 HG SER A 739 9.218 1.842 3.532 1.00 0.00 H new ATOM 355 N SER A 740 7.319 5.266 4.914 1.00 0.00 N ATOM 356 CA SER A 740 5.927 5.573 5.162 1.00 0.00 C ATOM 357 C SER A 740 5.311 6.192 3.916 1.00 0.00 C ATOM 358 O SER A 740 5.677 7.295 3.503 1.00 0.00 O ATOM 359 CB SER A 740 5.796 6.524 6.352 1.00 0.00 C ATOM 360 OG SER A 740 6.462 6.001 7.488 1.00 0.00 O ATOM 0 H SER A 740 7.824 6.001 4.418 1.00 0.00 H new ATOM 0 HA SER A 740 5.395 4.652 5.401 1.00 0.00 H new ATOM 0 HB2 SER A 740 6.215 7.497 6.094 1.00 0.00 H new ATOM 0 HB3 SER A 740 4.743 6.682 6.583 1.00 0.00 H new ATOM 0 HG SER A 740 6.368 6.625 8.238 1.00 0.00 H new ATOM 366 N VAL A 741 4.391 5.465 3.315 1.00 0.00 N ATOM 367 CA VAL A 741 3.718 5.911 2.115 1.00 0.00 C ATOM 368 C VAL A 741 2.259 6.214 2.426 1.00 0.00 C ATOM 369 O VAL A 741 1.479 5.325 2.773 1.00 0.00 O ATOM 370 CB VAL A 741 3.840 4.873 0.973 1.00 0.00 C ATOM 371 CG1 VAL A 741 3.711 3.458 1.506 1.00 0.00 C ATOM 372 CG2 VAL A 741 2.807 5.128 -0.117 1.00 0.00 C ATOM 0 H VAL A 741 4.090 4.548 3.646 1.00 0.00 H new ATOM 0 HA VAL A 741 4.203 6.824 1.768 1.00 0.00 H new ATOM 0 HB VAL A 741 4.831 4.984 0.533 1.00 0.00 H new ATOM 0 HG11 VAL A 741 3.800 2.749 0.683 1.00 0.00 H new ATOM 0 HG12 VAL A 741 4.500 3.270 2.234 1.00 0.00 H new ATOM 0 HG13 VAL A 741 2.739 3.337 1.985 1.00 0.00 H new ATOM 0 HG21 VAL A 741 2.918 4.383 -0.905 1.00 0.00 H new ATOM 0 HG22 VAL A 741 1.805 5.061 0.308 1.00 0.00 H new ATOM 0 HG23 VAL A 741 2.957 6.123 -0.535 1.00 0.00 H new ATOM 382 N PRO A 742 1.886 7.491 2.340 1.00 0.00 N ATOM 383 CA PRO A 742 0.534 7.928 2.622 1.00 0.00 C ATOM 384 C PRO A 742 -0.418 7.529 1.508 1.00 0.00 C ATOM 385 O PRO A 742 -0.089 7.660 0.334 1.00 0.00 O ATOM 386 CB PRO A 742 0.635 9.454 2.732 1.00 0.00 C ATOM 387 CG PRO A 742 2.060 9.821 2.444 1.00 0.00 C ATOM 388 CD PRO A 742 2.757 8.596 1.935 1.00 0.00 C ATOM 0 HA PRO A 742 0.139 7.471 3.530 1.00 0.00 H new ATOM 0 HB2 PRO A 742 -0.038 9.937 2.024 1.00 0.00 H new ATOM 0 HB3 PRO A 742 0.344 9.789 3.728 1.00 0.00 H new ATOM 0 HG2 PRO A 742 2.106 10.621 1.705 1.00 0.00 H new ATOM 0 HG3 PRO A 742 2.548 10.191 3.345 1.00 0.00 H new ATOM 0 HD2 PRO A 742 2.881 8.629 0.853 1.00 0.00 H new ATOM 0 HD3 PRO A 742 3.753 8.496 2.367 1.00 0.00 H new ATOM 396 N VAL A 743 -1.576 7.005 1.872 1.00 0.00 N ATOM 397 CA VAL A 743 -2.582 6.652 0.891 1.00 0.00 C ATOM 398 C VAL A 743 -3.961 7.179 1.271 1.00 0.00 C ATOM 399 O VAL A 743 -4.531 6.801 2.290 1.00 0.00 O ATOM 400 CB VAL A 743 -2.666 5.136 0.654 1.00 0.00 C ATOM 401 CG1 VAL A 743 -2.663 4.379 1.954 1.00 0.00 C ATOM 402 CG2 VAL A 743 -3.886 4.791 -0.174 1.00 0.00 C ATOM 0 H VAL A 743 -1.840 6.816 2.839 1.00 0.00 H new ATOM 0 HA VAL A 743 -2.264 7.129 -0.036 1.00 0.00 H new ATOM 0 HB VAL A 743 -1.780 4.834 0.096 1.00 0.00 H new ATOM 0 HG11 VAL A 743 -2.723 3.310 1.752 1.00 0.00 H new ATOM 0 HG12 VAL A 743 -1.744 4.594 2.498 1.00 0.00 H new ATOM 0 HG13 VAL A 743 -3.520 4.684 2.555 1.00 0.00 H new ATOM 0 HG21 VAL A 743 -3.927 3.713 -0.330 1.00 0.00 H new ATOM 0 HG22 VAL A 743 -4.785 5.116 0.350 1.00 0.00 H new ATOM 0 HG23 VAL A 743 -3.826 5.295 -1.138 1.00 0.00 H new ATOM 412 N ALA A 744 -4.485 8.063 0.451 1.00 0.00 N ATOM 413 CA ALA A 744 -5.864 8.478 0.563 1.00 0.00 C ATOM 414 C ALA A 744 -6.732 7.435 -0.109 1.00 0.00 C ATOM 415 O ALA A 744 -6.867 7.387 -1.332 1.00 0.00 O ATOM 416 CB ALA A 744 -6.077 9.857 -0.019 1.00 0.00 C ATOM 0 H ALA A 744 -3.971 8.511 -0.307 1.00 0.00 H new ATOM 0 HA ALA A 744 -6.143 8.552 1.614 1.00 0.00 H new ATOM 0 HB1 ALA A 744 -7.126 10.137 0.082 1.00 0.00 H new ATOM 0 HB2 ALA A 744 -5.456 10.577 0.514 1.00 0.00 H new ATOM 0 HB3 ALA A 744 -5.803 9.853 -1.074 1.00 0.00 H new ATOM 422 N LEU A 745 -7.286 6.580 0.717 1.00 0.00 N ATOM 423 CA LEU A 745 -7.925 5.364 0.270 1.00 0.00 C ATOM 424 C LEU A 745 -9.325 5.628 -0.262 1.00 0.00 C ATOM 425 O LEU A 745 -9.902 6.693 -0.033 1.00 0.00 O ATOM 426 CB LEU A 745 -7.971 4.394 1.441 1.00 0.00 C ATOM 427 CG LEU A 745 -6.695 4.376 2.274 1.00 0.00 C ATOM 428 CD1 LEU A 745 -7.016 4.545 3.737 1.00 0.00 C ATOM 429 CD2 LEU A 745 -5.915 3.094 2.045 1.00 0.00 C ATOM 0 H LEU A 745 -7.306 6.710 1.729 1.00 0.00 H new ATOM 0 HA LEU A 745 -7.351 4.938 -0.553 1.00 0.00 H new ATOM 0 HB2 LEU A 745 -8.811 4.656 2.085 1.00 0.00 H new ATOM 0 HB3 LEU A 745 -8.161 3.390 1.062 1.00 0.00 H new ATOM 0 HG LEU A 745 -6.072 5.213 1.957 1.00 0.00 H new ATOM 0 HD11 LEU A 745 -6.093 4.530 4.316 1.00 0.00 H new ATOM 0 HD12 LEU A 745 -7.525 5.497 3.890 1.00 0.00 H new ATOM 0 HD13 LEU A 745 -7.663 3.731 4.064 1.00 0.00 H new ATOM 0 HD21 LEU A 745 -5.009 3.106 2.651 1.00 0.00 H new ATOM 0 HD22 LEU A 745 -6.529 2.239 2.328 1.00 0.00 H new ATOM 0 HD23 LEU A 745 -5.646 3.015 0.992 1.00 0.00 H new ATOM 441 N LYS A 746 -9.862 4.647 -0.960 1.00 0.00 N ATOM 442 CA LYS A 746 -11.183 4.752 -1.538 1.00 0.00 C ATOM 443 C LYS A 746 -12.111 3.752 -0.876 1.00 0.00 C ATOM 444 O LYS A 746 -11.662 2.820 -0.212 1.00 0.00 O ATOM 445 CB LYS A 746 -11.135 4.508 -3.033 1.00 0.00 C ATOM 446 CG LYS A 746 -12.297 5.141 -3.777 1.00 0.00 C ATOM 447 CD LYS A 746 -12.148 4.996 -5.277 1.00 0.00 C ATOM 448 CE LYS A 746 -11.063 5.905 -5.828 1.00 0.00 C ATOM 449 NZ LYS A 746 -11.398 7.345 -5.656 1.00 0.00 N ATOM 0 H LYS A 746 -9.395 3.758 -1.141 1.00 0.00 H new ATOM 0 HA LYS A 746 -11.560 5.761 -1.368 1.00 0.00 H new ATOM 0 HB2 LYS A 746 -10.199 4.902 -3.430 1.00 0.00 H new ATOM 0 HB3 LYS A 746 -11.133 3.434 -3.220 1.00 0.00 H new ATOM 0 HG2 LYS A 746 -13.230 4.677 -3.457 1.00 0.00 H new ATOM 0 HG3 LYS A 746 -12.362 6.198 -3.518 1.00 0.00 H new ATOM 0 HD2 LYS A 746 -11.912 3.960 -5.520 1.00 0.00 H new ATOM 0 HD3 LYS A 746 -13.097 5.229 -5.760 1.00 0.00 H new ATOM 0 HE2 LYS A 746 -10.120 5.690 -5.325 1.00 0.00 H new ATOM 0 HE3 LYS A 746 -10.915 5.692 -6.887 1.00 0.00 H new ATOM 0 HZ1 LYS A 746 -10.809 7.917 -6.295 1.00 0.00 H new ATOM 0 HZ2 LYS A 746 -12.402 7.497 -5.881 1.00 0.00 H new ATOM 0 HZ3 LYS A 746 -11.217 7.628 -4.672 1.00 0.00 H new ATOM 463 N GLY A 747 -13.392 3.935 -1.083 1.00 0.00 N ATOM 464 CA GLY A 747 -14.376 3.104 -0.419 1.00 0.00 C ATOM 465 C GLY A 747 -14.871 3.752 0.852 1.00 0.00 C ATOM 466 O GLY A 747 -14.079 4.157 1.700 1.00 0.00 O ATOM 0 H GLY A 747 -13.780 4.647 -1.702 1.00 0.00 H new ATOM 0 HA2 GLY A 747 -15.216 2.925 -1.090 1.00 0.00 H new ATOM 0 HA3 GLY A 747 -13.939 2.132 -0.188 1.00 0.00 H new ATOM 470 N GLN A 748 -16.179 3.849 0.994 1.00 0.00 N ATOM 471 CA GLN A 748 -16.754 4.585 2.111 1.00 0.00 C ATOM 472 C GLN A 748 -17.438 3.643 3.093 1.00 0.00 C ATOM 473 O GLN A 748 -18.578 3.229 2.879 1.00 0.00 O ATOM 474 CB GLN A 748 -17.764 5.618 1.608 1.00 0.00 C ATOM 475 CG GLN A 748 -17.308 6.391 0.376 1.00 0.00 C ATOM 476 CD GLN A 748 -16.043 7.193 0.608 1.00 0.00 C ATOM 477 OE1 GLN A 748 -15.786 7.672 1.712 1.00 0.00 O ATOM 478 NE2 GLN A 748 -15.243 7.344 -0.437 1.00 0.00 N ATOM 0 H GLN A 748 -16.860 3.433 0.359 1.00 0.00 H new ATOM 0 HA GLN A 748 -15.940 5.096 2.625 1.00 0.00 H new ATOM 0 HB2 GLN A 748 -18.701 5.111 1.378 1.00 0.00 H new ATOM 0 HB3 GLN A 748 -17.973 6.326 2.410 1.00 0.00 H new ATOM 0 HG2 GLN A 748 -17.142 5.691 -0.443 1.00 0.00 H new ATOM 0 HG3 GLN A 748 -18.105 7.065 0.062 1.00 0.00 H new ATOM 0 HE21 GLN A 748 -15.494 6.930 -1.335 1.00 0.00 H new ATOM 0 HE22 GLN A 748 -14.376 7.874 -0.344 1.00 0.00 H new ATOM 487 N GLY A 749 -16.738 3.307 4.165 1.00 0.00 N ATOM 488 CA GLY A 749 -17.270 2.368 5.132 1.00 0.00 C ATOM 489 C GLY A 749 -16.245 1.332 5.520 1.00 0.00 C ATOM 490 O GLY A 749 -15.052 1.558 5.358 1.00 0.00 O ATOM 0 H GLY A 749 -15.809 3.668 4.384 1.00 0.00 H new ATOM 0 HA2 GLY A 749 -17.598 2.907 6.021 1.00 0.00 H new ATOM 0 HA3 GLY A 749 -18.148 1.874 4.716 1.00 0.00 H new ATOM 494 N PRO A 750 -16.680 0.188 6.048 1.00 0.00 N ATOM 495 CA PRO A 750 -15.787 -0.882 6.461 1.00 0.00 C ATOM 496 C PRO A 750 -15.292 -1.719 5.282 1.00 0.00 C ATOM 497 O PRO A 750 -15.961 -2.654 4.841 1.00 0.00 O ATOM 498 CB PRO A 750 -16.648 -1.727 7.410 1.00 0.00 C ATOM 499 CG PRO A 750 -17.960 -1.015 7.523 1.00 0.00 C ATOM 500 CD PRO A 750 -18.072 -0.146 6.314 1.00 0.00 C ATOM 0 HA PRO A 750 -14.880 -0.496 6.927 1.00 0.00 H new ATOM 0 HB2 PRO A 750 -16.784 -2.735 7.019 1.00 0.00 H new ATOM 0 HB3 PRO A 750 -16.172 -1.825 8.386 1.00 0.00 H new ATOM 0 HG2 PRO A 750 -18.785 -1.726 7.569 1.00 0.00 H new ATOM 0 HG3 PRO A 750 -18.002 -0.419 8.435 1.00 0.00 H new ATOM 0 HD2 PRO A 750 -18.533 -0.670 5.477 1.00 0.00 H new ATOM 0 HD3 PRO A 750 -18.675 0.742 6.505 1.00 0.00 H new ATOM 508 N PHE A 751 -14.118 -1.365 4.776 1.00 0.00 N ATOM 509 CA PHE A 751 -13.526 -2.053 3.636 1.00 0.00 C ATOM 510 C PHE A 751 -12.189 -2.692 4.021 1.00 0.00 C ATOM 511 O PHE A 751 -11.416 -2.106 4.775 1.00 0.00 O ATOM 512 CB PHE A 751 -13.345 -1.062 2.481 1.00 0.00 C ATOM 513 CG PHE A 751 -14.655 -0.597 1.900 1.00 0.00 C ATOM 514 CD1 PHE A 751 -15.285 0.545 2.364 1.00 0.00 C ATOM 515 CD2 PHE A 751 -15.268 -1.325 0.899 1.00 0.00 C ATOM 516 CE1 PHE A 751 -16.496 0.941 1.837 1.00 0.00 C ATOM 517 CE2 PHE A 751 -16.481 -0.923 0.368 1.00 0.00 C ATOM 518 CZ PHE A 751 -17.093 0.210 0.839 1.00 0.00 C ATOM 0 H PHE A 751 -13.553 -0.599 5.141 1.00 0.00 H new ATOM 0 HA PHE A 751 -14.194 -2.853 3.316 1.00 0.00 H new ATOM 0 HB2 PHE A 751 -12.782 -0.198 2.835 1.00 0.00 H new ATOM 0 HB3 PHE A 751 -12.751 -1.530 1.696 1.00 0.00 H new ATOM 0 HD1 PHE A 751 -14.824 1.131 3.145 1.00 0.00 H new ATOM 0 HD2 PHE A 751 -14.794 -2.221 0.525 1.00 0.00 H new ATOM 0 HE1 PHE A 751 -16.978 1.832 2.211 1.00 0.00 H new ATOM 0 HE2 PHE A 751 -16.945 -1.501 -0.417 1.00 0.00 H new ATOM 0 HZ PHE A 751 -18.040 0.526 0.427 1.00 0.00 H new ATOM 528 N THR A 752 -11.919 -3.894 3.516 1.00 0.00 N ATOM 529 CA THR A 752 -10.665 -4.579 3.816 1.00 0.00 C ATOM 530 C THR A 752 -9.662 -4.307 2.712 1.00 0.00 C ATOM 531 O THR A 752 -9.771 -4.821 1.602 1.00 0.00 O ATOM 532 CB THR A 752 -10.863 -6.098 4.018 1.00 0.00 C ATOM 533 OG1 THR A 752 -11.773 -6.318 5.105 1.00 0.00 O ATOM 534 CG2 THR A 752 -9.541 -6.788 4.313 1.00 0.00 C ATOM 0 H THR A 752 -12.548 -4.411 2.901 1.00 0.00 H new ATOM 0 HA THR A 752 -10.283 -4.186 4.758 1.00 0.00 H new ATOM 0 HB THR A 752 -11.270 -6.519 3.099 1.00 0.00 H new ATOM 0 HG1 THR A 752 -11.780 -7.270 5.339 1.00 0.00 H new ATOM 0 HG21 THR A 752 -9.711 -7.856 4.451 1.00 0.00 H new ATOM 0 HG22 THR A 752 -8.856 -6.634 3.479 1.00 0.00 H new ATOM 0 HG23 THR A 752 -9.107 -6.370 5.221 1.00 0.00 H new ATOM 542 N LEU A 753 -8.697 -3.476 3.043 1.00 0.00 N ATOM 543 CA LEU A 753 -7.762 -2.929 2.089 1.00 0.00 C ATOM 544 C LEU A 753 -6.464 -3.751 2.103 1.00 0.00 C ATOM 545 O LEU A 753 -5.786 -3.840 3.128 1.00 0.00 O ATOM 546 CB LEU A 753 -7.519 -1.468 2.488 1.00 0.00 C ATOM 547 CG LEU A 753 -6.725 -0.590 1.519 1.00 0.00 C ATOM 548 CD1 LEU A 753 -5.331 -0.345 2.060 1.00 0.00 C ATOM 549 CD2 LEU A 753 -6.667 -1.189 0.119 1.00 0.00 C ATOM 0 H LEU A 753 -8.539 -3.158 3.999 1.00 0.00 H new ATOM 0 HA LEU A 753 -8.151 -2.971 1.072 1.00 0.00 H new ATOM 0 HB2 LEU A 753 -8.489 -0.998 2.648 1.00 0.00 H new ATOM 0 HB3 LEU A 753 -7.000 -1.464 3.447 1.00 0.00 H new ATOM 0 HG LEU A 753 -7.245 0.364 1.434 1.00 0.00 H new ATOM 0 HD11 LEU A 753 -4.775 0.281 1.362 1.00 0.00 H new ATOM 0 HD12 LEU A 753 -5.398 0.158 3.025 1.00 0.00 H new ATOM 0 HD13 LEU A 753 -4.816 -1.298 2.183 1.00 0.00 H new ATOM 0 HD21 LEU A 753 -6.094 -0.532 -0.535 1.00 0.00 H new ATOM 0 HD22 LEU A 753 -6.188 -2.167 0.161 1.00 0.00 H new ATOM 0 HD23 LEU A 753 -7.678 -1.297 -0.273 1.00 0.00 H new ATOM 561 N THR A 754 -6.140 -4.370 0.972 1.00 0.00 N ATOM 562 CA THR A 754 -4.969 -5.233 0.866 1.00 0.00 C ATOM 563 C THR A 754 -3.964 -4.667 -0.135 1.00 0.00 C ATOM 564 O THR A 754 -4.350 -4.225 -1.221 1.00 0.00 O ATOM 565 CB THR A 754 -5.376 -6.628 0.391 1.00 0.00 C ATOM 566 OG1 THR A 754 -6.675 -6.951 0.903 1.00 0.00 O ATOM 567 CG2 THR A 754 -4.373 -7.651 0.873 1.00 0.00 C ATOM 0 H THR A 754 -6.678 -4.288 0.109 1.00 0.00 H new ATOM 0 HA THR A 754 -4.514 -5.288 1.855 1.00 0.00 H new ATOM 0 HB THR A 754 -5.402 -6.639 -0.699 1.00 0.00 H new ATOM 0 HG1 THR A 754 -7.359 -6.494 0.371 1.00 0.00 H new ATOM 0 HG21 THR A 754 -4.671 -8.642 0.530 1.00 0.00 H new ATOM 0 HG22 THR A 754 -3.387 -7.410 0.475 1.00 0.00 H new ATOM 0 HG23 THR A 754 -4.337 -7.640 1.962 1.00 0.00 H new ATOM 575 N TYR A 755 -2.681 -4.699 0.207 1.00 0.00 N ATOM 576 CA TYR A 755 -1.657 -4.167 -0.684 1.00 0.00 C ATOM 577 C TYR A 755 -0.355 -4.973 -0.627 1.00 0.00 C ATOM 578 O TYR A 755 -0.064 -5.636 0.374 1.00 0.00 O ATOM 579 CB TYR A 755 -1.396 -2.691 -0.370 1.00 0.00 C ATOM 580 CG TYR A 755 -1.142 -2.387 1.093 1.00 0.00 C ATOM 581 CD1 TYR A 755 0.107 -2.585 1.669 1.00 0.00 C ATOM 582 CD2 TYR A 755 -2.155 -1.879 1.891 1.00 0.00 C ATOM 583 CE1 TYR A 755 0.335 -2.282 2.995 1.00 0.00 C ATOM 584 CE2 TYR A 755 -1.937 -1.578 3.220 1.00 0.00 C ATOM 585 CZ TYR A 755 -0.689 -1.781 3.768 1.00 0.00 C ATOM 586 OH TYR A 755 -0.461 -1.479 5.092 1.00 0.00 O ATOM 0 H TYR A 755 -2.328 -5.083 1.084 1.00 0.00 H new ATOM 0 HA TYR A 755 -2.036 -4.254 -1.702 1.00 0.00 H new ATOM 0 HB2 TYR A 755 -0.536 -2.357 -0.950 1.00 0.00 H new ATOM 0 HB3 TYR A 755 -2.253 -2.106 -0.705 1.00 0.00 H new ATOM 0 HD1 TYR A 755 0.912 -2.983 1.069 1.00 0.00 H new ATOM 0 HD2 TYR A 755 -3.134 -1.716 1.465 1.00 0.00 H new ATOM 0 HE1 TYR A 755 1.313 -2.437 3.426 1.00 0.00 H new ATOM 0 HE2 TYR A 755 -2.740 -1.186 3.827 1.00 0.00 H new ATOM 0 HH TYR A 755 -0.786 -0.574 5.282 1.00 0.00 H new ATOM 596 N ASP A 756 0.416 -4.903 -1.714 1.00 0.00 N ATOM 597 CA ASP A 756 1.665 -5.656 -1.851 1.00 0.00 C ATOM 598 C ASP A 756 2.865 -4.730 -1.973 1.00 0.00 C ATOM 599 O ASP A 756 2.949 -3.912 -2.882 1.00 0.00 O ATOM 600 CB ASP A 756 1.626 -6.581 -3.082 1.00 0.00 C ATOM 601 CG ASP A 756 1.271 -5.858 -4.372 1.00 0.00 C ATOM 602 OD1 ASP A 756 0.068 -5.651 -4.633 1.00 0.00 O ATOM 603 OD2 ASP A 756 2.187 -5.519 -5.144 1.00 0.00 O ATOM 0 H ASP A 756 0.193 -4.324 -2.523 1.00 0.00 H new ATOM 0 HA ASP A 756 1.767 -6.257 -0.947 1.00 0.00 H new ATOM 0 HB2 ASP A 756 2.599 -7.059 -3.198 1.00 0.00 H new ATOM 0 HB3 ASP A 756 0.899 -7.375 -2.908 1.00 0.00 H new ATOM 608 N ILE A 757 3.785 -4.853 -1.041 1.00 0.00 N ATOM 609 CA ILE A 757 5.084 -4.240 -1.177 1.00 0.00 C ATOM 610 C ILE A 757 6.010 -5.263 -1.829 1.00 0.00 C ATOM 611 O ILE A 757 6.546 -6.154 -1.167 1.00 0.00 O ATOM 612 CB ILE A 757 5.660 -3.763 0.182 1.00 0.00 C ATOM 613 CG1 ILE A 757 4.860 -2.587 0.728 1.00 0.00 C ATOM 614 CG2 ILE A 757 7.104 -3.354 0.029 1.00 0.00 C ATOM 615 CD1 ILE A 757 3.618 -2.978 1.500 1.00 0.00 C ATOM 0 H ILE A 757 3.654 -5.376 -0.175 1.00 0.00 H new ATOM 0 HA ILE A 757 4.996 -3.346 -1.794 1.00 0.00 H new ATOM 0 HB ILE A 757 5.591 -4.595 0.883 1.00 0.00 H new ATOM 0 HG12 ILE A 757 5.505 -1.995 1.377 1.00 0.00 H new ATOM 0 HG13 ILE A 757 4.569 -1.945 -0.103 1.00 0.00 H new ATOM 0 HG21 ILE A 757 7.492 -3.022 0.992 1.00 0.00 H new ATOM 0 HG22 ILE A 757 7.688 -4.204 -0.324 1.00 0.00 H new ATOM 0 HG23 ILE A 757 7.177 -2.540 -0.692 1.00 0.00 H new ATOM 0 HD11 ILE A 757 3.110 -2.080 1.852 1.00 0.00 H new ATOM 0 HD12 ILE A 757 2.949 -3.542 0.851 1.00 0.00 H new ATOM 0 HD13 ILE A 757 3.899 -3.594 2.354 1.00 0.00 H new ATOM 627 N ILE A 758 6.155 -5.152 -3.137 1.00 0.00 N ATOM 628 CA ILE A 758 6.830 -6.171 -3.926 1.00 0.00 C ATOM 629 C ILE A 758 8.264 -5.783 -4.264 1.00 0.00 C ATOM 630 O ILE A 758 8.580 -4.604 -4.398 1.00 0.00 O ATOM 631 CB ILE A 758 6.039 -6.457 -5.218 1.00 0.00 C ATOM 632 CG1 ILE A 758 5.789 -5.179 -6.007 1.00 0.00 C ATOM 633 CG2 ILE A 758 4.721 -7.115 -4.894 1.00 0.00 C ATOM 634 CD1 ILE A 758 6.791 -4.966 -7.114 1.00 0.00 C ATOM 0 H ILE A 758 5.812 -4.360 -3.681 1.00 0.00 H new ATOM 0 HA ILE A 758 6.872 -7.075 -3.318 1.00 0.00 H new ATOM 0 HB ILE A 758 6.639 -7.130 -5.830 1.00 0.00 H new ATOM 0 HG12 ILE A 758 4.786 -5.212 -6.433 1.00 0.00 H new ATOM 0 HG13 ILE A 758 5.819 -4.327 -5.328 1.00 0.00 H new ATOM 0 HG21 ILE A 758 4.175 -7.310 -5.817 1.00 0.00 H new ATOM 0 HG22 ILE A 758 4.902 -8.056 -4.374 1.00 0.00 H new ATOM 0 HG23 ILE A 758 4.132 -6.455 -4.257 1.00 0.00 H new ATOM 0 HD11 ILE A 758 6.561 -4.040 -7.640 1.00 0.00 H new ATOM 0 HD12 ILE A 758 7.793 -4.903 -6.690 1.00 0.00 H new ATOM 0 HD13 ILE A 758 6.744 -5.801 -7.813 1.00 0.00 H new ATOM 646 N GLU A 759 9.132 -6.782 -4.397 1.00 0.00 N ATOM 647 CA GLU A 759 10.526 -6.541 -4.704 1.00 0.00 C ATOM 648 C GLU A 759 10.745 -6.432 -6.199 1.00 0.00 C ATOM 649 O GLU A 759 10.496 -7.378 -6.945 1.00 0.00 O ATOM 650 CB GLU A 759 11.403 -7.668 -4.188 1.00 0.00 C ATOM 651 CG GLU A 759 11.186 -8.027 -2.739 1.00 0.00 C ATOM 652 CD GLU A 759 12.436 -8.620 -2.133 1.00 0.00 C ATOM 653 OE1 GLU A 759 12.974 -8.037 -1.170 1.00 0.00 O ATOM 654 OE2 GLU A 759 12.907 -9.656 -2.646 1.00 0.00 O ATOM 0 H GLU A 759 8.887 -7.767 -4.295 1.00 0.00 H new ATOM 0 HA GLU A 759 10.796 -5.604 -4.217 1.00 0.00 H new ATOM 0 HB2 GLU A 759 11.227 -8.554 -4.797 1.00 0.00 H new ATOM 0 HB3 GLU A 759 12.448 -7.389 -4.326 1.00 0.00 H new ATOM 0 HG2 GLU A 759 10.894 -7.138 -2.181 1.00 0.00 H new ATOM 0 HG3 GLU A 759 10.365 -8.739 -2.657 1.00 0.00 H new ATOM 661 N THR A 760 11.215 -5.282 -6.631 1.00 0.00 N ATOM 662 CA THR A 760 11.587 -5.090 -8.018 1.00 0.00 C ATOM 663 C THR A 760 13.094 -5.278 -8.173 1.00 0.00 C ATOM 664 O THR A 760 13.631 -5.290 -9.280 1.00 0.00 O ATOM 665 CB THR A 760 11.128 -3.709 -8.528 1.00 0.00 C ATOM 666 OG1 THR A 760 11.773 -3.361 -9.761 1.00 0.00 O ATOM 667 CG2 THR A 760 11.379 -2.637 -7.486 1.00 0.00 C ATOM 0 H THR A 760 11.349 -4.462 -6.040 1.00 0.00 H new ATOM 0 HA THR A 760 11.082 -5.837 -8.631 1.00 0.00 H new ATOM 0 HB THR A 760 10.056 -3.773 -8.714 1.00 0.00 H new ATOM 0 HG1 THR A 760 12.458 -4.029 -9.972 1.00 0.00 H new ATOM 0 HG21 THR A 760 11.047 -1.672 -7.869 1.00 0.00 H new ATOM 0 HG22 THR A 760 10.826 -2.876 -6.577 1.00 0.00 H new ATOM 0 HG23 THR A 760 12.445 -2.591 -7.261 1.00 0.00 H new ATOM 739 N ARG A 765 7.994 -10.425 -2.102 1.00 0.00 N ATOM 740 CA ARG A 765 6.816 -9.601 -2.018 1.00 0.00 C ATOM 741 C ARG A 765 6.205 -9.710 -0.624 1.00 0.00 C ATOM 742 O ARG A 765 6.188 -10.788 -0.027 1.00 0.00 O ATOM 743 CB ARG A 765 5.824 -10.040 -3.093 1.00 0.00 C ATOM 744 CG ARG A 765 4.369 -9.842 -2.719 1.00 0.00 C ATOM 745 CD ARG A 765 3.464 -9.949 -3.936 1.00 0.00 C ATOM 746 NE ARG A 765 2.059 -10.114 -3.570 1.00 0.00 N ATOM 747 CZ ARG A 765 1.034 -9.793 -4.360 1.00 0.00 C ATOM 748 NH1 ARG A 765 1.246 -9.232 -5.546 1.00 0.00 N ATOM 749 NH2 ARG A 765 -0.206 -10.038 -3.962 1.00 0.00 N ATOM 0 HA ARG A 765 7.076 -8.556 -2.188 1.00 0.00 H new ATOM 0 HB2 ARG A 765 6.030 -9.486 -4.009 1.00 0.00 H new ATOM 0 HB3 ARG A 765 5.990 -11.094 -3.314 1.00 0.00 H new ATOM 0 HG2 ARG A 765 4.077 -10.588 -1.980 1.00 0.00 H new ATOM 0 HG3 ARG A 765 4.241 -8.865 -2.253 1.00 0.00 H new ATOM 0 HD2 ARG A 765 3.575 -9.054 -4.548 1.00 0.00 H new ATOM 0 HD3 ARG A 765 3.780 -10.794 -4.547 1.00 0.00 H new ATOM 0 HE ARG A 765 1.849 -10.500 -2.650 1.00 0.00 H new ATOM 0 HH11 ARG A 765 2.199 -9.044 -5.858 1.00 0.00 H new ATOM 0 HH12 ARG A 765 0.456 -8.990 -6.144 1.00 0.00 H new ATOM 0 HH21 ARG A 765 -0.374 -10.471 -3.054 1.00 0.00 H new ATOM 0 HH22 ARG A 765 -0.992 -9.794 -4.564 1.00 0.00 H new ATOM 763 N LYS A 766 5.725 -8.597 -0.106 1.00 0.00 N ATOM 764 CA LYS A 766 5.097 -8.568 1.192 1.00 0.00 C ATOM 765 C LYS A 766 3.674 -8.071 1.033 1.00 0.00 C ATOM 766 O LYS A 766 3.389 -7.267 0.160 1.00 0.00 O ATOM 767 CB LYS A 766 5.892 -7.672 2.145 1.00 0.00 C ATOM 768 CG LYS A 766 5.744 -8.067 3.610 1.00 0.00 C ATOM 769 CD LYS A 766 4.468 -7.532 4.237 1.00 0.00 C ATOM 770 CE LYS A 766 4.215 -8.156 5.604 1.00 0.00 C ATOM 771 NZ LYS A 766 5.343 -7.927 6.551 1.00 0.00 N ATOM 0 H LYS A 766 5.761 -7.692 -0.575 1.00 0.00 H new ATOM 0 HA LYS A 766 5.079 -9.570 1.621 1.00 0.00 H new ATOM 0 HB2 LYS A 766 6.946 -7.708 1.871 1.00 0.00 H new ATOM 0 HB3 LYS A 766 5.565 -6.640 2.020 1.00 0.00 H new ATOM 0 HG2 LYS A 766 5.756 -9.154 3.692 1.00 0.00 H new ATOM 0 HG3 LYS A 766 6.602 -7.696 4.170 1.00 0.00 H new ATOM 0 HD2 LYS A 766 4.537 -6.449 4.337 1.00 0.00 H new ATOM 0 HD3 LYS A 766 3.624 -7.738 3.579 1.00 0.00 H new ATOM 0 HE2 LYS A 766 3.300 -7.741 6.026 1.00 0.00 H new ATOM 0 HE3 LYS A 766 4.054 -9.228 5.487 1.00 0.00 H new ATOM 0 HZ1 LYS A 766 4.965 -7.686 7.489 1.00 0.00 H new ATOM 0 HZ2 LYS A 766 5.918 -8.791 6.621 1.00 0.00 H new ATOM 0 HZ3 LYS A 766 5.934 -7.144 6.204 1.00 0.00 H new ATOM 785 N THR A 767 2.780 -8.572 1.842 1.00 0.00 N ATOM 786 CA THR A 767 1.377 -8.223 1.718 1.00 0.00 C ATOM 787 C THR A 767 0.769 -7.834 3.065 1.00 0.00 C ATOM 788 O THR A 767 0.960 -8.522 4.069 1.00 0.00 O ATOM 789 CB THR A 767 0.592 -9.399 1.114 1.00 0.00 C ATOM 790 OG1 THR A 767 1.108 -9.702 -0.190 1.00 0.00 O ATOM 791 CG2 THR A 767 -0.893 -9.085 1.016 1.00 0.00 C ATOM 0 H THR A 767 2.991 -9.224 2.597 1.00 0.00 H new ATOM 0 HA THR A 767 1.310 -7.359 1.057 1.00 0.00 H new ATOM 0 HB THR A 767 0.712 -10.260 1.772 1.00 0.00 H new ATOM 0 HG1 THR A 767 0.608 -10.453 -0.573 1.00 0.00 H new ATOM 0 HG21 THR A 767 -1.418 -9.938 0.585 1.00 0.00 H new ATOM 0 HG22 THR A 767 -1.288 -8.881 2.011 1.00 0.00 H new ATOM 0 HG23 THR A 767 -1.039 -8.211 0.382 1.00 0.00 H new ATOM 799 N PHE A 768 0.050 -6.718 3.079 1.00 0.00 N ATOM 800 CA PHE A 768 -0.692 -6.291 4.258 1.00 0.00 C ATOM 801 C PHE A 768 -2.172 -6.190 3.938 1.00 0.00 C ATOM 802 O PHE A 768 -2.551 -5.755 2.849 1.00 0.00 O ATOM 803 CB PHE A 768 -0.212 -4.938 4.773 1.00 0.00 C ATOM 804 CG PHE A 768 1.046 -4.988 5.583 1.00 0.00 C ATOM 805 CD1 PHE A 768 2.261 -4.669 5.011 1.00 0.00 C ATOM 806 CD2 PHE A 768 1.008 -5.332 6.924 1.00 0.00 C ATOM 807 CE1 PHE A 768 3.419 -4.693 5.759 1.00 0.00 C ATOM 808 CE2 PHE A 768 2.163 -5.362 7.676 1.00 0.00 C ATOM 809 CZ PHE A 768 3.370 -5.040 7.094 1.00 0.00 C ATOM 0 H PHE A 768 -0.035 -6.089 2.281 1.00 0.00 H new ATOM 0 HA PHE A 768 -0.521 -7.040 5.031 1.00 0.00 H new ATOM 0 HB2 PHE A 768 -0.054 -4.276 3.922 1.00 0.00 H new ATOM 0 HB3 PHE A 768 -1.001 -4.494 5.380 1.00 0.00 H new ATOM 0 HD1 PHE A 768 2.305 -4.398 3.967 1.00 0.00 H new ATOM 0 HD2 PHE A 768 0.063 -5.579 7.386 1.00 0.00 H new ATOM 0 HE1 PHE A 768 4.364 -4.440 5.301 1.00 0.00 H new ATOM 0 HE2 PHE A 768 2.122 -5.637 8.719 1.00 0.00 H new ATOM 0 HZ PHE A 768 4.276 -5.059 7.682 1.00 0.00 H new ATOM 819 N GLU A 769 -2.995 -6.595 4.884 1.00 0.00 N ATOM 820 CA GLU A 769 -4.431 -6.520 4.738 1.00 0.00 C ATOM 821 C GLU A 769 -5.057 -5.881 5.971 1.00 0.00 C ATOM 822 O GLU A 769 -5.075 -6.477 7.048 1.00 0.00 O ATOM 823 CB GLU A 769 -4.977 -7.924 4.525 1.00 0.00 C ATOM 824 CG GLU A 769 -6.485 -7.984 4.366 1.00 0.00 C ATOM 825 CD GLU A 769 -6.990 -9.397 4.152 1.00 0.00 C ATOM 826 OE1 GLU A 769 -6.943 -10.195 5.109 1.00 0.00 O ATOM 827 OE2 GLU A 769 -7.451 -9.712 3.037 1.00 0.00 O ATOM 0 H GLU A 769 -2.686 -6.985 5.774 1.00 0.00 H new ATOM 0 HA GLU A 769 -4.681 -5.900 3.877 1.00 0.00 H new ATOM 0 HB2 GLU A 769 -4.511 -8.353 3.638 1.00 0.00 H new ATOM 0 HB3 GLU A 769 -4.686 -8.548 5.370 1.00 0.00 H new ATOM 0 HG2 GLU A 769 -6.958 -7.563 5.253 1.00 0.00 H new ATOM 0 HG3 GLU A 769 -6.783 -7.363 3.521 1.00 0.00 H new ATOM 834 N ILE A 770 -5.554 -4.665 5.812 1.00 0.00 N ATOM 835 CA ILE A 770 -6.167 -3.940 6.902 1.00 0.00 C ATOM 836 C ILE A 770 -7.674 -3.926 6.714 1.00 0.00 C ATOM 837 O ILE A 770 -8.174 -3.456 5.701 1.00 0.00 O ATOM 838 CB ILE A 770 -5.618 -2.502 6.949 1.00 0.00 C ATOM 839 CG1 ILE A 770 -4.108 -2.535 7.143 1.00 0.00 C ATOM 840 CG2 ILE A 770 -6.277 -1.692 8.053 1.00 0.00 C ATOM 841 CD1 ILE A 770 -3.416 -1.344 6.547 1.00 0.00 C ATOM 0 H ILE A 770 -5.542 -4.159 4.927 1.00 0.00 H new ATOM 0 HA ILE A 770 -5.931 -4.432 7.846 1.00 0.00 H new ATOM 0 HB ILE A 770 -5.850 -2.016 6.001 1.00 0.00 H new ATOM 0 HG12 ILE A 770 -3.885 -2.583 8.209 1.00 0.00 H new ATOM 0 HG13 ILE A 770 -3.709 -3.444 6.693 1.00 0.00 H new ATOM 0 HG21 ILE A 770 -5.866 -0.682 8.058 1.00 0.00 H new ATOM 0 HG22 ILE A 770 -7.352 -1.646 7.878 1.00 0.00 H new ATOM 0 HG23 ILE A 770 -6.086 -2.166 9.016 1.00 0.00 H new ATOM 0 HD11 ILE A 770 -2.342 -1.424 6.717 1.00 0.00 H new ATOM 0 HD12 ILE A 770 -3.612 -1.308 5.475 1.00 0.00 H new ATOM 0 HD13 ILE A 770 -3.791 -0.434 7.015 1.00 0.00 H new ATOM 853 N LYS A 771 -8.391 -4.468 7.674 1.00 0.00 N ATOM 854 CA LYS A 771 -9.824 -4.607 7.564 1.00 0.00 C ATOM 855 C LYS A 771 -10.531 -3.346 8.013 1.00 0.00 C ATOM 856 O LYS A 771 -9.947 -2.495 8.692 1.00 0.00 O ATOM 857 CB LYS A 771 -10.337 -5.776 8.399 1.00 0.00 C ATOM 858 CG LYS A 771 -9.845 -7.148 7.964 1.00 0.00 C ATOM 859 CD LYS A 771 -8.366 -7.346 8.227 1.00 0.00 C ATOM 860 CE LYS A 771 -7.883 -8.636 7.610 1.00 0.00 C ATOM 861 NZ LYS A 771 -8.474 -9.829 8.277 1.00 0.00 N ATOM 0 H LYS A 771 -7.999 -4.822 8.547 1.00 0.00 H new ATOM 0 HA LYS A 771 -10.040 -4.793 6.512 1.00 0.00 H new ATOM 0 HB2 LYS A 771 -10.046 -5.616 9.437 1.00 0.00 H new ATOM 0 HB3 LYS A 771 -11.427 -5.772 8.369 1.00 0.00 H new ATOM 0 HG2 LYS A 771 -10.410 -7.917 8.491 1.00 0.00 H new ATOM 0 HG3 LYS A 771 -10.042 -7.280 6.900 1.00 0.00 H new ATOM 0 HD2 LYS A 771 -7.803 -6.508 7.817 1.00 0.00 H new ATOM 0 HD3 LYS A 771 -8.181 -7.359 9.301 1.00 0.00 H new ATOM 0 HE2 LYS A 771 -8.139 -8.649 6.551 1.00 0.00 H new ATOM 0 HE3 LYS A 771 -6.796 -8.685 7.676 1.00 0.00 H new ATOM 0 HZ1 LYS A 771 -8.053 -10.693 7.880 1.00 0.00 H new ATOM 0 HZ2 LYS A 771 -8.281 -9.787 9.298 1.00 0.00 H new ATOM 0 HZ3 LYS A 771 -9.502 -9.841 8.119 1.00 0.00 H new ATOM 875 N GLU A 772 -11.802 -3.283 7.642 1.00 0.00 N ATOM 876 CA GLU A 772 -12.707 -2.188 7.991 1.00 0.00 C ATOM 877 C GLU A 772 -12.010 -0.832 8.004 1.00 0.00 C ATOM 878 O GLU A 772 -12.114 -0.091 8.984 1.00 0.00 O ATOM 879 CB GLU A 772 -13.361 -2.438 9.358 1.00 0.00 C ATOM 880 CG GLU A 772 -13.090 -3.819 9.931 1.00 0.00 C ATOM 881 CD GLU A 772 -13.794 -4.063 11.247 1.00 0.00 C ATOM 882 OE1 GLU A 772 -14.979 -4.452 11.227 1.00 0.00 O ATOM 883 OE2 GLU A 772 -13.162 -3.881 12.308 1.00 0.00 O ATOM 0 H GLU A 772 -12.246 -4.007 7.077 1.00 0.00 H new ATOM 0 HA GLU A 772 -13.472 -2.162 7.215 1.00 0.00 H new ATOM 0 HB2 GLU A 772 -13.004 -1.687 10.063 1.00 0.00 H new ATOM 0 HB3 GLU A 772 -14.438 -2.300 9.264 1.00 0.00 H new ATOM 0 HG2 GLU A 772 -13.407 -4.573 9.211 1.00 0.00 H new ATOM 0 HG3 GLU A 772 -12.016 -3.943 10.071 1.00 0.00 H new ATOM 890 N ILE A 773 -11.285 -0.502 6.940 1.00 0.00 N ATOM 891 CA ILE A 773 -10.682 0.808 6.862 1.00 0.00 C ATOM 892 C ILE A 773 -11.771 1.805 6.499 1.00 0.00 C ATOM 893 O ILE A 773 -12.372 1.753 5.430 1.00 0.00 O ATOM 894 CB ILE A 773 -9.441 0.879 5.901 1.00 0.00 C ATOM 895 CG1 ILE A 773 -9.773 1.415 4.505 1.00 0.00 C ATOM 896 CG2 ILE A 773 -8.776 -0.486 5.770 1.00 0.00 C ATOM 897 CD1 ILE A 773 -9.764 2.935 4.407 1.00 0.00 C ATOM 0 H ILE A 773 -11.108 -1.112 6.142 1.00 0.00 H new ATOM 0 HA ILE A 773 -10.262 1.060 7.836 1.00 0.00 H new ATOM 0 HB ILE A 773 -8.756 1.589 6.364 1.00 0.00 H new ATOM 0 HG12 ILE A 773 -9.055 1.011 3.792 1.00 0.00 H new ATOM 0 HG13 ILE A 773 -10.756 1.048 4.210 1.00 0.00 H new ATOM 0 HG21 ILE A 773 -7.920 -0.411 5.100 1.00 0.00 H new ATOM 0 HG22 ILE A 773 -8.441 -0.823 6.751 1.00 0.00 H new ATOM 0 HG23 ILE A 773 -9.491 -1.202 5.366 1.00 0.00 H new ATOM 0 HD11 ILE A 773 -10.008 3.235 3.388 1.00 0.00 H new ATOM 0 HD12 ILE A 773 -10.502 3.348 5.094 1.00 0.00 H new ATOM 0 HD13 ILE A 773 -8.775 3.311 4.669 1.00 0.00 H new ATOM 909 N LYS A 774 -12.077 2.657 7.448 1.00 0.00 N ATOM 910 CA LYS A 774 -13.098 3.665 7.276 1.00 0.00 C ATOM 911 C LYS A 774 -12.411 5.016 7.282 1.00 0.00 C ATOM 912 O LYS A 774 -12.955 6.025 7.730 1.00 0.00 O ATOM 913 CB LYS A 774 -14.125 3.540 8.405 1.00 0.00 C ATOM 914 CG LYS A 774 -14.585 2.101 8.623 1.00 0.00 C ATOM 915 CD LYS A 774 -15.418 1.948 9.877 1.00 0.00 C ATOM 916 CE LYS A 774 -15.648 0.479 10.197 1.00 0.00 C ATOM 917 NZ LYS A 774 -16.452 0.298 11.433 1.00 0.00 N ATOM 0 H LYS A 774 -11.625 2.672 8.362 1.00 0.00 H new ATOM 0 HA LYS A 774 -13.633 3.542 6.335 1.00 0.00 H new ATOM 0 HB2 LYS A 774 -13.692 3.923 9.329 1.00 0.00 H new ATOM 0 HB3 LYS A 774 -14.989 4.163 8.176 1.00 0.00 H new ATOM 0 HG2 LYS A 774 -15.166 1.773 7.761 1.00 0.00 H new ATOM 0 HG3 LYS A 774 -13.714 1.449 8.686 1.00 0.00 H new ATOM 0 HD2 LYS A 774 -14.916 2.433 10.714 1.00 0.00 H new ATOM 0 HD3 LYS A 774 -16.376 2.451 9.746 1.00 0.00 H new ATOM 0 HE2 LYS A 774 -16.157 0.001 9.360 1.00 0.00 H new ATOM 0 HE3 LYS A 774 -14.687 -0.022 10.313 1.00 0.00 H new ATOM 0 HZ1 LYS A 774 -16.585 -0.717 11.615 1.00 0.00 H new ATOM 0 HZ2 LYS A 774 -15.955 0.731 12.237 1.00 0.00 H new ATOM 0 HZ3 LYS A 774 -17.379 0.753 11.314 1.00 0.00 H new ATOM 931 N THR A 775 -11.200 5.003 6.746 1.00 0.00 N ATOM 932 CA THR A 775 -10.291 6.122 6.839 1.00 0.00 C ATOM 933 C THR A 775 -10.374 7.022 5.610 1.00 0.00 C ATOM 934 O THR A 775 -10.870 8.144 5.689 1.00 0.00 O ATOM 935 CB THR A 775 -8.855 5.605 6.961 1.00 0.00 C ATOM 936 OG1 THR A 775 -8.843 4.375 7.699 1.00 0.00 O ATOM 937 CG2 THR A 775 -7.972 6.625 7.658 1.00 0.00 C ATOM 0 H THR A 775 -10.823 4.207 6.232 1.00 0.00 H new ATOM 0 HA THR A 775 -10.574 6.702 7.717 1.00 0.00 H new ATOM 0 HB THR A 775 -8.464 5.434 5.958 1.00 0.00 H new ATOM 0 HG1 THR A 775 -7.923 4.047 7.773 1.00 0.00 H new ATOM 0 HG21 THR A 775 -6.957 6.236 7.733 1.00 0.00 H new ATOM 0 HG22 THR A 775 -7.964 7.552 7.084 1.00 0.00 H new ATOM 0 HG23 THR A 775 -8.361 6.820 8.657 1.00 0.00 H new ATOM 945 N ASN A 776 -9.853 6.507 4.492 1.00 0.00 N ATOM 946 CA ASN A 776 -9.823 7.204 3.200 1.00 0.00 C ATOM 947 C ASN A 776 -8.655 8.169 3.136 1.00 0.00 C ATOM 948 O ASN A 776 -8.479 8.883 2.153 1.00 0.00 O ATOM 949 CB ASN A 776 -11.134 7.930 2.908 1.00 0.00 C ATOM 950 CG ASN A 776 -12.329 6.995 2.883 1.00 0.00 C ATOM 951 OD1 ASN A 776 -13.452 7.404 3.169 1.00 0.00 O ATOM 952 ND2 ASN A 776 -12.090 5.725 2.586 1.00 0.00 N ATOM 0 H ASN A 776 -9.433 5.578 4.458 1.00 0.00 H new ATOM 0 HA ASN A 776 -9.693 6.444 2.429 1.00 0.00 H new ATOM 0 HB2 ASN A 776 -11.295 8.698 3.664 1.00 0.00 H new ATOM 0 HB3 ASN A 776 -11.056 8.439 1.947 1.00 0.00 H new ATOM 0 HD21 ASN A 776 -12.853 5.048 2.590 1.00 0.00 H new ATOM 0 HD22 ASN A 776 -11.143 5.425 2.354 1.00 0.00 H new ATOM 959 N GLU A 777 -7.850 8.146 4.185 1.00 0.00 N ATOM 960 CA GLU A 777 -6.629 8.932 4.281 1.00 0.00 C ATOM 961 C GLU A 777 -5.724 8.323 5.342 1.00 0.00 C ATOM 962 O GLU A 777 -5.736 8.745 6.497 1.00 0.00 O ATOM 963 CB GLU A 777 -6.948 10.382 4.630 1.00 0.00 C ATOM 964 CG GLU A 777 -7.209 11.254 3.414 1.00 0.00 C ATOM 965 CD GLU A 777 -7.293 12.725 3.754 1.00 0.00 C ATOM 966 OE1 GLU A 777 -8.419 13.252 3.857 1.00 0.00 O ATOM 967 OE2 GLU A 777 -6.234 13.361 3.911 1.00 0.00 O ATOM 0 H GLU A 777 -8.029 7.571 5.008 1.00 0.00 H new ATOM 0 HA GLU A 777 -6.121 8.920 3.317 1.00 0.00 H new ATOM 0 HB2 GLU A 777 -7.823 10.407 5.280 1.00 0.00 H new ATOM 0 HB3 GLU A 777 -6.117 10.802 5.197 1.00 0.00 H new ATOM 0 HG2 GLU A 777 -6.414 11.099 2.685 1.00 0.00 H new ATOM 0 HG3 GLU A 777 -8.140 10.941 2.942 1.00 0.00 H new ATOM 974 N TYR A 778 -4.946 7.328 4.952 1.00 0.00 N ATOM 975 CA TYR A 778 -4.160 6.563 5.916 1.00 0.00 C ATOM 976 C TYR A 778 -2.707 6.484 5.487 1.00 0.00 C ATOM 977 O TYR A 778 -2.406 6.146 4.350 1.00 0.00 O ATOM 978 CB TYR A 778 -4.745 5.159 6.110 1.00 0.00 C ATOM 979 CG TYR A 778 -3.898 4.256 6.981 1.00 0.00 C ATOM 980 CD1 TYR A 778 -3.843 4.443 8.355 1.00 0.00 C ATOM 981 CD2 TYR A 778 -3.155 3.218 6.430 1.00 0.00 C ATOM 982 CE1 TYR A 778 -3.073 3.624 9.155 1.00 0.00 C ATOM 983 CE2 TYR A 778 -2.382 2.394 7.226 1.00 0.00 C ATOM 984 CZ TYR A 778 -2.344 2.602 8.587 1.00 0.00 C ATOM 985 OH TYR A 778 -1.579 1.783 9.388 1.00 0.00 O ATOM 0 H TYR A 778 -4.839 7.029 3.983 1.00 0.00 H new ATOM 0 HA TYR A 778 -4.205 7.083 6.873 1.00 0.00 H new ATOM 0 HB2 TYR A 778 -5.737 5.248 6.552 1.00 0.00 H new ATOM 0 HB3 TYR A 778 -4.872 4.691 5.134 1.00 0.00 H new ATOM 0 HD1 TYR A 778 -4.412 5.243 8.805 1.00 0.00 H new ATOM 0 HD2 TYR A 778 -3.182 3.053 5.363 1.00 0.00 H new ATOM 0 HE1 TYR A 778 -3.042 3.783 10.223 1.00 0.00 H new ATOM 0 HE2 TYR A 778 -1.811 1.591 6.783 1.00 0.00 H new ATOM 0 HH TYR A 778 -1.128 1.112 8.834 1.00 0.00 H new ATOM 995 N VAL A 779 -1.804 6.820 6.390 1.00 0.00 N ATOM 996 CA VAL A 779 -0.392 6.736 6.089 1.00 0.00 C ATOM 997 C VAL A 779 0.139 5.348 6.408 1.00 0.00 C ATOM 998 O VAL A 779 0.178 4.928 7.567 1.00 0.00 O ATOM 999 CB VAL A 779 0.428 7.810 6.828 1.00 0.00 C ATOM 1000 CG1 VAL A 779 1.866 7.828 6.332 1.00 0.00 C ATOM 1001 CG2 VAL A 779 -0.211 9.172 6.652 1.00 0.00 C ATOM 0 H VAL A 779 -2.023 7.151 7.330 1.00 0.00 H new ATOM 0 HA VAL A 779 -0.279 6.924 5.021 1.00 0.00 H new ATOM 0 HB VAL A 779 0.438 7.564 7.890 1.00 0.00 H new ATOM 0 HG11 VAL A 779 2.426 8.594 6.868 1.00 0.00 H new ATOM 0 HG12 VAL A 779 2.324 6.854 6.507 1.00 0.00 H new ATOM 0 HG13 VAL A 779 1.880 8.048 5.265 1.00 0.00 H new ATOM 0 HG21 VAL A 779 0.379 9.922 7.179 1.00 0.00 H new ATOM 0 HG22 VAL A 779 -0.250 9.421 5.592 1.00 0.00 H new ATOM 0 HG23 VAL A 779 -1.222 9.155 7.058 1.00 0.00 H new ATOM 1011 N ILE A 780 0.521 4.635 5.361 1.00 0.00 N ATOM 1012 CA ILE A 780 1.029 3.283 5.489 1.00 0.00 C ATOM 1013 C ILE A 780 2.491 3.298 5.910 1.00 0.00 C ATOM 1014 O ILE A 780 3.266 4.137 5.465 1.00 0.00 O ATOM 1015 CB ILE A 780 0.886 2.514 4.158 1.00 0.00 C ATOM 1016 CG1 ILE A 780 -0.573 2.274 3.814 1.00 0.00 C ATOM 1017 CG2 ILE A 780 1.626 1.190 4.198 1.00 0.00 C ATOM 1018 CD1 ILE A 780 -0.734 1.586 2.481 1.00 0.00 C ATOM 0 H ILE A 780 0.487 4.978 4.401 1.00 0.00 H new ATOM 0 HA ILE A 780 0.440 2.778 6.255 1.00 0.00 H new ATOM 0 HB ILE A 780 1.332 3.138 3.383 1.00 0.00 H new ATOM 0 HG12 ILE A 780 -1.034 1.667 4.593 1.00 0.00 H new ATOM 0 HG13 ILE A 780 -1.103 3.226 3.797 1.00 0.00 H new ATOM 0 HG21 ILE A 780 1.504 0.676 3.245 1.00 0.00 H new ATOM 0 HG22 ILE A 780 2.686 1.371 4.379 1.00 0.00 H new ATOM 0 HG23 ILE A 780 1.221 0.571 4.999 1.00 0.00 H new ATOM 0 HD11 ILE A 780 -1.794 1.434 2.275 1.00 0.00 H new ATOM 0 HD12 ILE A 780 -0.297 2.205 1.697 1.00 0.00 H new ATOM 0 HD13 ILE A 780 -0.228 0.621 2.506 1.00 0.00 H new ATOM 1030 N LYS A 781 2.859 2.369 6.770 1.00 0.00 N ATOM 1031 CA LYS A 781 4.237 2.238 7.204 1.00 0.00 C ATOM 1032 C LYS A 781 4.794 0.916 6.728 1.00 0.00 C ATOM 1033 O LYS A 781 4.413 -0.145 7.224 1.00 0.00 O ATOM 1034 CB LYS A 781 4.366 2.343 8.730 1.00 0.00 C ATOM 1035 CG LYS A 781 4.330 3.770 9.271 1.00 0.00 C ATOM 1036 CD LYS A 781 2.936 4.380 9.237 1.00 0.00 C ATOM 1037 CE LYS A 781 1.980 3.659 10.174 1.00 0.00 C ATOM 1038 NZ LYS A 781 0.656 4.333 10.246 1.00 0.00 N ATOM 0 H LYS A 781 2.220 1.690 7.184 1.00 0.00 H new ATOM 0 HA LYS A 781 4.807 3.059 6.768 1.00 0.00 H new ATOM 0 HB2 LYS A 781 3.559 1.773 9.190 1.00 0.00 H new ATOM 0 HB3 LYS A 781 5.302 1.875 9.036 1.00 0.00 H new ATOM 0 HG2 LYS A 781 4.698 3.774 10.297 1.00 0.00 H new ATOM 0 HG3 LYS A 781 5.008 4.392 8.687 1.00 0.00 H new ATOM 0 HD2 LYS A 781 2.993 5.432 9.515 1.00 0.00 H new ATOM 0 HD3 LYS A 781 2.547 4.340 8.220 1.00 0.00 H new ATOM 0 HE2 LYS A 781 1.846 2.632 9.835 1.00 0.00 H new ATOM 0 HE3 LYS A 781 2.417 3.611 11.171 1.00 0.00 H new ATOM 0 HZ1 LYS A 781 -0.074 3.638 10.504 1.00 0.00 H new ATOM 0 HZ2 LYS A 781 0.688 5.084 10.964 1.00 0.00 H new ATOM 0 HZ3 LYS A 781 0.427 4.748 9.320 1.00 0.00 H new ATOM 1052 N THR A 782 5.672 0.981 5.748 1.00 0.00 N ATOM 1053 CA THR A 782 6.298 -0.207 5.225 1.00 0.00 C ATOM 1054 C THR A 782 7.401 -0.653 6.171 1.00 0.00 C ATOM 1055 O THR A 782 8.201 0.180 6.630 1.00 0.00 O ATOM 1056 CB THR A 782 6.881 0.032 3.834 1.00 0.00 C ATOM 1057 OG1 THR A 782 7.848 1.073 3.889 1.00 0.00 O ATOM 1058 CG2 THR A 782 5.792 0.407 2.873 1.00 0.00 C ATOM 0 H THR A 782 5.966 1.849 5.299 1.00 0.00 H new ATOM 0 HA THR A 782 5.538 -0.984 5.141 1.00 0.00 H new ATOM 0 HB THR A 782 7.357 -0.886 3.490 1.00 0.00 H new ATOM 0 HG1 THR A 782 7.672 1.643 4.667 1.00 0.00 H new ATOM 0 HG21 THR A 782 6.221 0.575 1.885 1.00 0.00 H new ATOM 0 HG22 THR A 782 5.061 -0.399 2.819 1.00 0.00 H new ATOM 0 HG23 THR A 782 5.302 1.319 3.216 1.00 0.00 H new ATOM 1066 N PRO A 783 7.464 -1.962 6.455 1.00 0.00 N ATOM 1067 CA PRO A 783 8.375 -2.532 7.457 1.00 0.00 C ATOM 1068 C PRO A 783 9.829 -2.199 7.173 1.00 0.00 C ATOM 1069 O PRO A 783 10.196 -1.889 6.043 1.00 0.00 O ATOM 1070 CB PRO A 783 8.144 -4.040 7.334 1.00 0.00 C ATOM 1071 CG PRO A 783 6.792 -4.164 6.730 1.00 0.00 C ATOM 1072 CD PRO A 783 6.667 -3.006 5.792 1.00 0.00 C ATOM 0 HA PRO A 783 8.179 -2.135 8.453 1.00 0.00 H new ATOM 0 HB2 PRO A 783 8.903 -4.507 6.707 1.00 0.00 H new ATOM 0 HB3 PRO A 783 8.190 -4.529 8.307 1.00 0.00 H new ATOM 0 HG2 PRO A 783 6.683 -5.111 6.201 1.00 0.00 H new ATOM 0 HG3 PRO A 783 6.016 -4.135 7.495 1.00 0.00 H new ATOM 0 HD2 PRO A 783 7.056 -3.244 4.802 1.00 0.00 H new ATOM 0 HD3 PRO A 783 5.629 -2.701 5.662 1.00 0.00 H new ATOM 1080 N VAL A 784 10.651 -2.271 8.209 1.00 0.00 N ATOM 1081 CA VAL A 784 12.055 -1.937 8.092 1.00 0.00 C ATOM 1082 C VAL A 784 12.745 -2.850 7.078 1.00 0.00 C ATOM 1083 O VAL A 784 12.511 -4.063 7.047 1.00 0.00 O ATOM 1084 CB VAL A 784 12.764 -2.033 9.460 1.00 0.00 C ATOM 1085 CG1 VAL A 784 12.718 -3.453 9.997 1.00 0.00 C ATOM 1086 CG2 VAL A 784 14.194 -1.531 9.365 1.00 0.00 C ATOM 0 H VAL A 784 10.364 -2.560 9.144 1.00 0.00 H new ATOM 0 HA VAL A 784 12.123 -0.907 7.741 1.00 0.00 H new ATOM 0 HB VAL A 784 12.230 -1.393 10.163 1.00 0.00 H new ATOM 0 HG11 VAL A 784 13.224 -3.494 10.961 1.00 0.00 H new ATOM 0 HG12 VAL A 784 11.680 -3.763 10.119 1.00 0.00 H new ATOM 0 HG13 VAL A 784 13.217 -4.123 9.297 1.00 0.00 H new ATOM 0 HG21 VAL A 784 14.672 -1.609 10.341 1.00 0.00 H new ATOM 0 HG22 VAL A 784 14.744 -2.134 8.642 1.00 0.00 H new ATOM 0 HG23 VAL A 784 14.193 -0.490 9.043 1.00 0.00 H new ATOM 1096 N PHE A 785 13.572 -2.257 6.242 1.00 0.00 N ATOM 1097 CA PHE A 785 14.288 -2.995 5.222 1.00 0.00 C ATOM 1098 C PHE A 785 15.769 -3.042 5.570 1.00 0.00 C ATOM 1099 O PHE A 785 16.521 -2.109 5.285 1.00 0.00 O ATOM 1100 CB PHE A 785 14.088 -2.345 3.851 1.00 0.00 C ATOM 1101 CG PHE A 785 12.647 -2.073 3.506 1.00 0.00 C ATOM 1102 CD1 PHE A 785 11.788 -3.105 3.159 1.00 0.00 C ATOM 1103 CD2 PHE A 785 12.157 -0.778 3.520 1.00 0.00 C ATOM 1104 CE1 PHE A 785 10.468 -2.844 2.833 1.00 0.00 C ATOM 1105 CE2 PHE A 785 10.843 -0.514 3.196 1.00 0.00 C ATOM 1106 CZ PHE A 785 9.998 -1.549 2.852 1.00 0.00 C ATOM 0 H PHE A 785 13.766 -1.256 6.250 1.00 0.00 H new ATOM 0 HA PHE A 785 13.896 -4.011 5.180 1.00 0.00 H new ATOM 0 HB2 PHE A 785 14.641 -1.406 3.821 1.00 0.00 H new ATOM 0 HB3 PHE A 785 14.518 -2.993 3.087 1.00 0.00 H new ATOM 0 HD1 PHE A 785 12.152 -4.122 3.143 1.00 0.00 H new ATOM 0 HD2 PHE A 785 12.813 0.037 3.788 1.00 0.00 H new ATOM 0 HE1 PHE A 785 9.807 -3.655 2.564 1.00 0.00 H new ATOM 0 HE2 PHE A 785 10.476 0.502 3.211 1.00 0.00 H new ATOM 0 HZ PHE A 785 8.969 -1.344 2.598 1.00 0.00 H new ATOM 1116 N THR A 786 16.190 -4.137 6.182 1.00 0.00 N ATOM 1117 CA THR A 786 17.564 -4.283 6.644 1.00 0.00 C ATOM 1118 C THR A 786 18.465 -4.754 5.517 1.00 0.00 C ATOM 1119 O THR A 786 19.512 -5.367 5.737 1.00 0.00 O ATOM 1120 CB THR A 786 17.632 -5.263 7.819 1.00 0.00 C ATOM 1121 OG1 THR A 786 17.162 -6.556 7.415 1.00 0.00 O ATOM 1122 CG2 THR A 786 16.775 -4.744 8.952 1.00 0.00 C ATOM 0 H THR A 786 15.596 -4.944 6.372 1.00 0.00 H new ATOM 0 HA THR A 786 17.914 -3.307 6.980 1.00 0.00 H new ATOM 0 HB THR A 786 18.667 -5.353 8.149 1.00 0.00 H new ATOM 0 HG1 THR A 786 17.212 -7.174 8.174 1.00 0.00 H new ATOM 0 HG21 THR A 786 16.821 -5.439 9.791 1.00 0.00 H new ATOM 0 HG22 THR A 786 17.143 -3.768 9.269 1.00 0.00 H new ATOM 0 HG23 THR A 786 15.743 -4.650 8.614 1.00 0.00 H new ATOM 1130 N THR A 787 18.043 -4.456 4.305 1.00 0.00 N ATOM 1131 CA THR A 787 18.779 -4.831 3.113 1.00 0.00 C ATOM 1132 C THR A 787 18.418 -3.911 1.953 1.00 0.00 C ATOM 1133 O THR A 787 17.244 -3.789 1.597 1.00 0.00 O ATOM 1134 CB THR A 787 18.502 -6.285 2.711 1.00 0.00 C ATOM 1135 OG1 THR A 787 18.754 -7.163 3.817 1.00 0.00 O ATOM 1136 CG2 THR A 787 19.369 -6.691 1.532 1.00 0.00 C ATOM 0 H THR A 787 17.179 -3.947 4.118 1.00 0.00 H new ATOM 0 HA THR A 787 19.840 -4.733 3.344 1.00 0.00 H new ATOM 0 HB THR A 787 17.454 -6.363 2.421 1.00 0.00 H new ATOM 0 HG1 THR A 787 18.572 -8.088 3.549 1.00 0.00 H new ATOM 0 HG21 THR A 787 19.156 -7.726 1.263 1.00 0.00 H new ATOM 0 HG22 THR A 787 19.153 -6.044 0.682 1.00 0.00 H new ATOM 0 HG23 THR A 787 20.420 -6.595 1.803 1.00 0.00 H new ATOM 1144 N GLY A 788 19.427 -3.232 1.413 1.00 0.00 N ATOM 1145 CA GLY A 788 19.241 -2.420 0.229 1.00 0.00 C ATOM 1146 C GLY A 788 18.573 -3.165 -0.912 1.00 0.00 C ATOM 1147 O GLY A 788 19.157 -4.068 -1.513 1.00 0.00 O ATOM 0 H GLY A 788 20.378 -3.232 1.781 1.00 0.00 H new ATOM 0 HA2 GLY A 788 18.639 -1.548 0.486 1.00 0.00 H new ATOM 0 HA3 GLY A 788 20.210 -2.051 -0.106 1.00 0.00 H new ATOM 1151 N GLY A 789 17.346 -2.772 -1.193 1.00 0.00 N ATOM 1152 CA GLY A 789 16.589 -3.334 -2.288 1.00 0.00 C ATOM 1153 C GLY A 789 15.505 -2.377 -2.731 1.00 0.00 C ATOM 1154 O GLY A 789 15.201 -1.415 -2.024 1.00 0.00 O ATOM 0 H GLY A 789 16.848 -2.054 -0.667 1.00 0.00 H new ATOM 0 HA2 GLY A 789 17.254 -3.551 -3.124 1.00 0.00 H new ATOM 0 HA3 GLY A 789 16.143 -4.280 -1.981 1.00 0.00 H new ATOM 1158 N ASP A 790 14.915 -2.623 -3.886 1.00 0.00 N ATOM 1159 CA ASP A 790 13.870 -1.757 -4.395 1.00 0.00 C ATOM 1160 C ASP A 790 12.531 -2.457 -4.295 1.00 0.00 C ATOM 1161 O ASP A 790 12.391 -3.621 -4.682 1.00 0.00 O ATOM 1162 CB ASP A 790 14.128 -1.344 -5.848 1.00 0.00 C ATOM 1163 CG ASP A 790 15.194 -0.276 -6.002 1.00 0.00 C ATOM 1164 OD1 ASP A 790 14.828 0.912 -6.137 1.00 0.00 O ATOM 1165 OD2 ASP A 790 16.394 -0.622 -6.029 1.00 0.00 O ATOM 0 H ASP A 790 15.142 -3.414 -4.488 1.00 0.00 H new ATOM 0 HA ASP A 790 13.864 -0.852 -3.787 1.00 0.00 H new ATOM 0 HB2 ASP A 790 14.424 -2.224 -6.419 1.00 0.00 H new ATOM 0 HB3 ASP A 790 13.197 -0.980 -6.283 1.00 0.00 H new ATOM 1170 N TYR A 791 11.556 -1.747 -3.771 1.00 0.00 N ATOM 1171 CA TYR A 791 10.217 -2.273 -3.609 1.00 0.00 C ATOM 1172 C TYR A 791 9.216 -1.361 -4.294 1.00 0.00 C ATOM 1173 O TYR A 791 9.506 -0.195 -4.553 1.00 0.00 O ATOM 1174 CB TYR A 791 9.866 -2.386 -2.125 1.00 0.00 C ATOM 1175 CG TYR A 791 10.753 -3.332 -1.352 1.00 0.00 C ATOM 1176 CD1 TYR A 791 11.976 -2.910 -0.846 1.00 0.00 C ATOM 1177 CD2 TYR A 791 10.367 -4.644 -1.129 1.00 0.00 C ATOM 1178 CE1 TYR A 791 12.791 -3.774 -0.142 1.00 0.00 C ATOM 1179 CE2 TYR A 791 11.174 -5.512 -0.425 1.00 0.00 C ATOM 1180 CZ TYR A 791 12.383 -5.074 0.066 1.00 0.00 C ATOM 1181 OH TYR A 791 13.189 -5.945 0.761 1.00 0.00 O ATOM 0 H TYR A 791 11.669 -0.787 -3.445 1.00 0.00 H new ATOM 0 HA TYR A 791 10.177 -3.264 -4.062 1.00 0.00 H new ATOM 0 HB2 TYR A 791 9.926 -1.396 -1.672 1.00 0.00 H new ATOM 0 HB3 TYR A 791 8.832 -2.717 -2.031 1.00 0.00 H new ATOM 0 HD1 TYR A 791 12.294 -1.890 -1.006 1.00 0.00 H new ATOM 0 HD2 TYR A 791 9.419 -4.992 -1.513 1.00 0.00 H new ATOM 0 HE1 TYR A 791 13.741 -3.434 0.243 1.00 0.00 H new ATOM 0 HE2 TYR A 791 10.859 -6.532 -0.259 1.00 0.00 H new ATOM 0 HH TYR A 791 13.255 -6.791 0.271 1.00 0.00 H new ATOM 1191 N ILE A 792 8.056 -1.898 -4.614 1.00 0.00 N ATOM 1192 CA ILE A 792 6.955 -1.100 -5.105 1.00 0.00 C ATOM 1193 C ILE A 792 5.694 -1.513 -4.385 1.00 0.00 C ATOM 1194 O ILE A 792 5.275 -2.664 -4.453 1.00 0.00 O ATOM 1195 CB ILE A 792 6.786 -1.241 -6.630 1.00 0.00 C ATOM 1196 CG1 ILE A 792 7.905 -0.489 -7.349 1.00 0.00 C ATOM 1197 CG2 ILE A 792 5.430 -0.715 -7.067 1.00 0.00 C ATOM 1198 CD1 ILE A 792 8.430 -1.211 -8.560 1.00 0.00 C ATOM 0 H ILE A 792 7.852 -2.895 -4.541 1.00 0.00 H new ATOM 0 HA ILE A 792 7.165 -0.049 -4.907 1.00 0.00 H new ATOM 0 HB ILE A 792 6.844 -2.297 -6.893 1.00 0.00 H new ATOM 0 HG12 ILE A 792 7.537 0.492 -7.651 1.00 0.00 H new ATOM 0 HG13 ILE A 792 8.726 -0.321 -6.652 1.00 0.00 H new ATOM 0 HG21 ILE A 792 5.329 -0.823 -8.147 1.00 0.00 H new ATOM 0 HG22 ILE A 792 4.643 -1.282 -6.570 1.00 0.00 H new ATOM 0 HG23 ILE A 792 5.344 0.338 -6.798 1.00 0.00 H new ATOM 0 HD11 ILE A 792 9.222 -0.620 -9.021 1.00 0.00 H new ATOM 0 HD12 ILE A 792 8.828 -2.181 -8.261 1.00 0.00 H new ATOM 0 HD13 ILE A 792 7.621 -1.356 -9.276 1.00 0.00 H new ATOM 1210 N LEU A 793 5.118 -0.582 -3.658 1.00 0.00 N ATOM 1211 CA LEU A 793 3.906 -0.855 -2.938 1.00 0.00 C ATOM 1212 C LEU A 793 2.716 -0.659 -3.863 1.00 0.00 C ATOM 1213 O LEU A 793 2.413 0.457 -4.287 1.00 0.00 O ATOM 1214 CB LEU A 793 3.794 0.029 -1.696 1.00 0.00 C ATOM 1215 CG LEU A 793 2.543 -0.199 -0.846 1.00 0.00 C ATOM 1216 CD1 LEU A 793 2.076 -1.618 -0.946 1.00 0.00 C ATOM 1217 CD2 LEU A 793 2.758 0.212 0.600 1.00 0.00 C ATOM 0 H LEU A 793 5.473 0.368 -3.553 1.00 0.00 H new ATOM 0 HA LEU A 793 3.920 -1.890 -2.595 1.00 0.00 H new ATOM 0 HB2 LEU A 793 4.673 -0.135 -1.072 1.00 0.00 H new ATOM 0 HB3 LEU A 793 3.816 1.073 -2.009 1.00 0.00 H new ATOM 0 HG LEU A 793 1.757 0.442 -1.246 1.00 0.00 H new ATOM 0 HD11 LEU A 793 1.185 -1.752 -0.332 1.00 0.00 H new ATOM 0 HD12 LEU A 793 1.839 -1.851 -1.984 1.00 0.00 H new ATOM 0 HD13 LEU A 793 2.863 -2.286 -0.595 1.00 0.00 H new ATOM 0 HD21 LEU A 793 1.845 0.034 1.169 1.00 0.00 H new ATOM 0 HD22 LEU A 793 3.572 -0.373 1.027 1.00 0.00 H new ATOM 0 HD23 LEU A 793 3.011 1.271 0.643 1.00 0.00 H new ATOM 1229 N SER A 794 2.065 -1.759 -4.164 1.00 0.00 N ATOM 1230 CA SER A 794 0.938 -1.788 -5.069 1.00 0.00 C ATOM 1231 C SER A 794 -0.287 -2.275 -4.309 1.00 0.00 C ATOM 1232 O SER A 794 -0.192 -2.612 -3.132 1.00 0.00 O ATOM 1233 CB SER A 794 1.237 -2.724 -6.241 1.00 0.00 C ATOM 1234 OG SER A 794 2.499 -2.429 -6.819 1.00 0.00 O ATOM 0 H SER A 794 2.307 -2.673 -3.781 1.00 0.00 H new ATOM 0 HA SER A 794 0.752 -0.789 -5.463 1.00 0.00 H new ATOM 0 HB2 SER A 794 1.223 -3.758 -5.897 1.00 0.00 H new ATOM 0 HB3 SER A 794 0.456 -2.628 -6.996 1.00 0.00 H new ATOM 0 HG SER A 794 2.668 -3.042 -7.565 1.00 0.00 H new ATOM 1240 N LEU A 795 -1.428 -2.313 -4.968 1.00 0.00 N ATOM 1241 CA LEU A 795 -2.654 -2.742 -4.324 1.00 0.00 C ATOM 1242 C LEU A 795 -3.017 -4.156 -4.750 1.00 0.00 C ATOM 1243 O LEU A 795 -3.008 -4.479 -5.942 1.00 0.00 O ATOM 1244 CB LEU A 795 -3.779 -1.790 -4.674 1.00 0.00 C ATOM 1245 CG LEU A 795 -3.490 -0.320 -4.396 1.00 0.00 C ATOM 1246 CD1 LEU A 795 -4.734 0.482 -4.670 1.00 0.00 C ATOM 1247 CD2 LEU A 795 -3.002 -0.105 -2.966 1.00 0.00 C ATOM 0 H LEU A 795 -1.532 -2.052 -5.949 1.00 0.00 H new ATOM 0 HA LEU A 795 -2.501 -2.736 -3.245 1.00 0.00 H new ATOM 0 HB2 LEU A 795 -4.015 -1.904 -5.732 1.00 0.00 H new ATOM 0 HB3 LEU A 795 -4.668 -2.082 -4.115 1.00 0.00 H new ATOM 0 HG LEU A 795 -2.689 0.015 -5.055 1.00 0.00 H new ATOM 0 HD11 LEU A 795 -4.538 1.536 -4.474 1.00 0.00 H new ATOM 0 HD12 LEU A 795 -5.027 0.355 -5.712 1.00 0.00 H new ATOM 0 HD13 LEU A 795 -5.540 0.136 -4.022 1.00 0.00 H new ATOM 0 HD21 LEU A 795 -2.806 0.955 -2.804 1.00 0.00 H new ATOM 0 HD22 LEU A 795 -3.766 -0.444 -2.266 1.00 0.00 H new ATOM 0 HD23 LEU A 795 -2.085 -0.672 -2.805 1.00 0.00 H new ATOM 1259 N VAL A 796 -3.343 -4.999 -3.777 1.00 0.00 N ATOM 1260 CA VAL A 796 -3.666 -6.390 -4.056 1.00 0.00 C ATOM 1261 C VAL A 796 -5.148 -6.550 -4.332 1.00 0.00 C ATOM 1262 O VAL A 796 -5.543 -6.999 -5.405 1.00 0.00 O ATOM 1263 CB VAL A 796 -3.280 -7.308 -2.879 1.00 0.00 C ATOM 1264 CG1 VAL A 796 -3.809 -8.720 -3.083 1.00 0.00 C ATOM 1265 CG2 VAL A 796 -1.782 -7.334 -2.722 1.00 0.00 C ATOM 0 H VAL A 796 -3.390 -4.743 -2.791 1.00 0.00 H new ATOM 0 HA VAL A 796 -3.091 -6.680 -4.936 1.00 0.00 H new ATOM 0 HB VAL A 796 -3.733 -6.908 -1.972 1.00 0.00 H new ATOM 0 HG11 VAL A 796 -3.520 -9.343 -2.236 1.00 0.00 H new ATOM 0 HG12 VAL A 796 -4.896 -8.694 -3.160 1.00 0.00 H new ATOM 0 HG13 VAL A 796 -3.390 -9.137 -3.999 1.00 0.00 H new ATOM 0 HG21 VAL A 796 -1.515 -7.984 -1.889 1.00 0.00 H new ATOM 0 HG22 VAL A 796 -1.327 -7.712 -3.638 1.00 0.00 H new ATOM 0 HG23 VAL A 796 -1.419 -6.325 -2.526 1.00 0.00 H new ATOM 1275 N SER A 797 -5.957 -6.124 -3.375 1.00 0.00 N ATOM 1276 CA SER A 797 -7.396 -6.335 -3.421 1.00 0.00 C ATOM 1277 C SER A 797 -8.064 -5.594 -2.272 1.00 0.00 C ATOM 1278 O SER A 797 -7.393 -5.047 -1.399 1.00 0.00 O ATOM 1279 CB SER A 797 -7.731 -7.830 -3.334 1.00 0.00 C ATOM 1280 OG SER A 797 -7.443 -8.509 -4.546 1.00 0.00 O ATOM 0 H SER A 797 -5.636 -5.623 -2.546 1.00 0.00 H new ATOM 0 HA SER A 797 -7.769 -5.950 -4.370 1.00 0.00 H new ATOM 0 HB2 SER A 797 -7.163 -8.282 -2.521 1.00 0.00 H new ATOM 0 HB3 SER A 797 -8.787 -7.952 -3.092 1.00 0.00 H new ATOM 0 HG SER A 797 -7.026 -7.887 -5.178 1.00 0.00 H new ATOM 1286 N ILE A 798 -9.379 -5.580 -2.280 1.00 0.00 N ATOM 1287 CA ILE A 798 -10.148 -4.801 -1.331 1.00 0.00 C ATOM 1288 C ILE A 798 -11.429 -5.554 -1.017 1.00 0.00 C ATOM 1289 O ILE A 798 -11.772 -6.491 -1.722 1.00 0.00 O ATOM 1290 CB ILE A 798 -10.455 -3.436 -1.970 1.00 0.00 C ATOM 1291 CG1 ILE A 798 -10.229 -2.259 -1.026 1.00 0.00 C ATOM 1292 CG2 ILE A 798 -11.853 -3.404 -2.554 1.00 0.00 C ATOM 1293 CD1 ILE A 798 -11.065 -2.239 0.213 1.00 0.00 C ATOM 0 H ILE A 798 -9.946 -6.108 -2.944 1.00 0.00 H new ATOM 0 HA ILE A 798 -9.598 -4.644 -0.403 1.00 0.00 H new ATOM 0 HB ILE A 798 -9.737 -3.317 -2.781 1.00 0.00 H new ATOM 0 HG12 ILE A 798 -9.180 -2.252 -0.732 1.00 0.00 H new ATOM 0 HG13 ILE A 798 -10.411 -1.337 -1.578 1.00 0.00 H new ATOM 0 HG21 ILE A 798 -12.040 -2.426 -2.998 1.00 0.00 H new ATOM 0 HG22 ILE A 798 -11.945 -4.174 -3.320 1.00 0.00 H new ATOM 0 HG23 ILE A 798 -12.581 -3.589 -1.764 1.00 0.00 H new ATOM 0 HD11 ILE A 798 -10.817 -1.358 0.805 1.00 0.00 H new ATOM 0 HD12 ILE A 798 -12.120 -2.208 -0.060 1.00 0.00 H new ATOM 0 HD13 ILE A 798 -10.869 -3.137 0.799 1.00 0.00 H new ATOM 1305 N LYS A 799 -12.135 -5.153 0.012 1.00 0.00 N ATOM 1306 CA LYS A 799 -13.361 -5.844 0.375 1.00 0.00 C ATOM 1307 C LYS A 799 -14.467 -4.869 0.685 1.00 0.00 C ATOM 1308 O LYS A 799 -14.371 -4.082 1.622 1.00 0.00 O ATOM 1309 CB LYS A 799 -13.140 -6.754 1.568 1.00 0.00 C ATOM 1310 CG LYS A 799 -14.389 -7.436 2.097 1.00 0.00 C ATOM 1311 CD LYS A 799 -14.178 -7.843 3.543 1.00 0.00 C ATOM 1312 CE LYS A 799 -15.031 -9.026 3.914 1.00 0.00 C ATOM 1313 NZ LYS A 799 -14.731 -9.529 5.278 1.00 0.00 N ATOM 0 H LYS A 799 -11.891 -4.363 0.610 1.00 0.00 H new ATOM 0 HA LYS A 799 -13.656 -6.448 -0.483 1.00 0.00 H new ATOM 0 HB2 LYS A 799 -12.416 -7.520 1.292 1.00 0.00 H new ATOM 0 HB3 LYS A 799 -12.695 -6.170 2.373 1.00 0.00 H new ATOM 0 HG2 LYS A 799 -15.243 -6.763 2.020 1.00 0.00 H new ATOM 0 HG3 LYS A 799 -14.619 -8.313 1.492 1.00 0.00 H new ATOM 0 HD2 LYS A 799 -13.128 -8.086 3.704 1.00 0.00 H new ATOM 0 HD3 LYS A 799 -14.415 -7.003 4.196 1.00 0.00 H new ATOM 0 HE2 LYS A 799 -16.083 -8.746 3.855 1.00 0.00 H new ATOM 0 HE3 LYS A 799 -14.873 -9.826 3.191 1.00 0.00 H new ATOM 0 HZ1 LYS A 799 -15.342 -10.343 5.490 1.00 0.00 H new ATOM 0 HZ2 LYS A 799 -13.734 -9.822 5.329 1.00 0.00 H new ATOM 0 HZ3 LYS A 799 -14.906 -8.775 5.972 1.00 0.00 H new ATOM 1327 N ASP A 800 -15.506 -4.939 -0.112 1.00 0.00 N ATOM 1328 CA ASP A 800 -16.715 -4.172 0.110 1.00 0.00 C ATOM 1329 C ASP A 800 -17.416 -4.694 1.349 1.00 0.00 C ATOM 1330 O ASP A 800 -17.274 -5.867 1.694 1.00 0.00 O ATOM 1331 CB ASP A 800 -17.614 -4.291 -1.121 1.00 0.00 C ATOM 1332 CG ASP A 800 -18.925 -3.539 -0.996 1.00 0.00 C ATOM 1333 OD1 ASP A 800 -19.811 -4.003 -0.243 1.00 0.00 O ATOM 1334 OD2 ASP A 800 -19.086 -2.508 -1.676 1.00 0.00 O ATOM 0 H ASP A 800 -15.540 -5.534 -0.940 1.00 0.00 H new ATOM 0 HA ASP A 800 -16.476 -3.120 0.266 1.00 0.00 H new ATOM 0 HB2 ASP A 800 -17.074 -3.919 -1.991 1.00 0.00 H new ATOM 0 HB3 ASP A 800 -17.826 -5.344 -1.304 1.00 0.00 H new ATOM 1339 N SER A 801 -18.176 -3.817 1.999 1.00 0.00 N ATOM 1340 CA SER A 801 -18.812 -4.115 3.278 1.00 0.00 C ATOM 1341 C SER A 801 -19.817 -5.264 3.175 1.00 0.00 C ATOM 1342 O SER A 801 -20.330 -5.745 4.185 1.00 0.00 O ATOM 1343 CB SER A 801 -19.497 -2.856 3.808 1.00 0.00 C ATOM 1344 OG SER A 801 -20.341 -2.276 2.822 1.00 0.00 O ATOM 0 H SER A 801 -18.368 -2.877 1.652 1.00 0.00 H new ATOM 0 HA SER A 801 -18.035 -4.437 3.971 1.00 0.00 H new ATOM 0 HB2 SER A 801 -20.084 -3.103 4.693 1.00 0.00 H new ATOM 0 HB3 SER A 801 -18.743 -2.132 4.117 1.00 0.00 H new ATOM 0 HG SER A 801 -20.768 -1.473 3.188 1.00 0.00 H new ATOM 1350 N THR A 802 -20.089 -5.700 1.952 1.00 0.00 N ATOM 1351 CA THR A 802 -20.960 -6.837 1.714 1.00 0.00 C ATOM 1352 C THR A 802 -20.122 -8.106 1.573 1.00 0.00 C ATOM 1353 O THR A 802 -20.618 -9.167 1.186 1.00 0.00 O ATOM 1354 CB THR A 802 -21.806 -6.619 0.445 1.00 0.00 C ATOM 1355 OG1 THR A 802 -20.956 -6.279 -0.659 1.00 0.00 O ATOM 1356 CG2 THR A 802 -22.823 -5.510 0.659 1.00 0.00 C ATOM 0 H THR A 802 -19.713 -5.277 1.104 1.00 0.00 H new ATOM 0 HA THR A 802 -21.636 -6.943 2.562 1.00 0.00 H new ATOM 0 HB THR A 802 -22.337 -7.546 0.226 1.00 0.00 H new ATOM 0 HG1 THR A 802 -20.837 -5.307 -0.693 1.00 0.00 H new ATOM 0 HG21 THR A 802 -23.409 -5.373 -0.250 1.00 0.00 H new ATOM 0 HG22 THR A 802 -23.486 -5.778 1.482 1.00 0.00 H new ATOM 0 HG23 THR A 802 -22.304 -4.582 0.899 1.00 0.00 H new ATOM 1364 N GLY A 803 -18.840 -7.967 1.891 1.00 0.00 N ATOM 1365 CA GLY A 803 -17.898 -9.061 1.803 1.00 0.00 C ATOM 1366 C GLY A 803 -17.556 -9.411 0.377 1.00 0.00 C ATOM 1367 O GLY A 803 -17.441 -10.584 0.023 1.00 0.00 O ATOM 0 H GLY A 803 -18.431 -7.091 2.216 1.00 0.00 H new ATOM 0 HA2 GLY A 803 -16.986 -8.796 2.338 1.00 0.00 H new ATOM 0 HA3 GLY A 803 -18.315 -9.937 2.299 1.00 0.00 H new ATOM 1371 N CYS A 804 -17.385 -8.392 -0.443 1.00 0.00 N ATOM 1372 CA CYS A 804 -17.058 -8.601 -1.843 1.00 0.00 C ATOM 1373 C CYS A 804 -15.661 -8.077 -2.140 1.00 0.00 C ATOM 1374 O CYS A 804 -15.406 -6.883 -2.026 1.00 0.00 O ATOM 1375 CB CYS A 804 -18.088 -7.911 -2.736 1.00 0.00 C ATOM 1376 SG CYS A 804 -19.794 -8.413 -2.406 1.00 0.00 S ATOM 0 H CYS A 804 -17.466 -7.414 -0.167 1.00 0.00 H new ATOM 0 HA CYS A 804 -17.080 -9.670 -2.052 1.00 0.00 H new ATOM 0 HB2 CYS A 804 -18.005 -6.832 -2.604 1.00 0.00 H new ATOM 0 HB3 CYS A 804 -17.852 -8.124 -3.779 1.00 0.00 H new ATOM 0 HG CYS A 804 -20.405 -7.470 -1.752 1.00 0.00 H new ATOM 1382 N VAL A 805 -14.757 -8.963 -2.520 1.00 0.00 N ATOM 1383 CA VAL A 805 -13.382 -8.562 -2.769 1.00 0.00 C ATOM 1384 C VAL A 805 -13.219 -8.036 -4.196 1.00 0.00 C ATOM 1385 O VAL A 805 -13.381 -8.761 -5.180 1.00 0.00 O ATOM 1386 CB VAL A 805 -12.383 -9.714 -2.485 1.00 0.00 C ATOM 1387 CG1 VAL A 805 -12.732 -10.962 -3.271 1.00 0.00 C ATOM 1388 CG2 VAL A 805 -10.957 -9.281 -2.784 1.00 0.00 C ATOM 0 H VAL A 805 -14.946 -9.955 -2.662 1.00 0.00 H new ATOM 0 HA VAL A 805 -13.148 -7.754 -2.076 1.00 0.00 H new ATOM 0 HB VAL A 805 -12.458 -9.955 -1.425 1.00 0.00 H new ATOM 0 HG11 VAL A 805 -12.010 -11.747 -3.046 1.00 0.00 H new ATOM 0 HG12 VAL A 805 -13.732 -11.298 -2.995 1.00 0.00 H new ATOM 0 HG13 VAL A 805 -12.706 -10.739 -4.338 1.00 0.00 H new ATOM 0 HG21 VAL A 805 -10.275 -10.106 -2.577 1.00 0.00 H new ATOM 0 HG22 VAL A 805 -10.875 -8.997 -3.833 1.00 0.00 H new ATOM 0 HG23 VAL A 805 -10.696 -8.429 -2.156 1.00 0.00 H new ATOM 1398 N VAL A 806 -12.930 -6.749 -4.286 1.00 0.00 N ATOM 1399 CA VAL A 806 -12.781 -6.071 -5.562 1.00 0.00 C ATOM 1400 C VAL A 806 -11.316 -6.003 -5.964 1.00 0.00 C ATOM 1401 O VAL A 806 -10.438 -5.762 -5.129 1.00 0.00 O ATOM 1402 CB VAL A 806 -13.390 -4.648 -5.504 1.00 0.00 C ATOM 1403 CG1 VAL A 806 -12.976 -3.795 -6.695 1.00 0.00 C ATOM 1404 CG2 VAL A 806 -14.899 -4.738 -5.440 1.00 0.00 C ATOM 0 H VAL A 806 -12.792 -6.145 -3.476 1.00 0.00 H new ATOM 0 HA VAL A 806 -13.321 -6.645 -6.315 1.00 0.00 H new ATOM 0 HB VAL A 806 -13.006 -4.165 -4.605 1.00 0.00 H new ATOM 0 HG11 VAL A 806 -13.428 -2.807 -6.609 1.00 0.00 H new ATOM 0 HG12 VAL A 806 -11.891 -3.697 -6.713 1.00 0.00 H new ATOM 0 HG13 VAL A 806 -13.313 -4.269 -7.617 1.00 0.00 H new ATOM 0 HG21 VAL A 806 -15.322 -3.734 -5.399 1.00 0.00 H new ATOM 0 HG22 VAL A 806 -15.271 -5.253 -6.326 1.00 0.00 H new ATOM 0 HG23 VAL A 806 -15.193 -5.292 -4.548 1.00 0.00 H new ATOM 1414 N GLY A 807 -11.067 -6.241 -7.241 1.00 0.00 N ATOM 1415 CA GLY A 807 -9.718 -6.196 -7.766 1.00 0.00 C ATOM 1416 C GLY A 807 -9.182 -4.783 -7.812 1.00 0.00 C ATOM 1417 O GLY A 807 -9.780 -3.903 -8.438 1.00 0.00 O ATOM 0 H GLY A 807 -11.783 -6.467 -7.931 1.00 0.00 H new ATOM 0 HA2 GLY A 807 -9.066 -6.812 -7.147 1.00 0.00 H new ATOM 0 HA3 GLY A 807 -9.703 -6.623 -8.769 1.00 0.00 H new ATOM 1421 N LEU A 808 -8.067 -4.555 -7.138 1.00 0.00 N ATOM 1422 CA LEU A 808 -7.513 -3.224 -7.037 1.00 0.00 C ATOM 1423 C LEU A 808 -6.548 -2.900 -8.159 1.00 0.00 C ATOM 1424 O LEU A 808 -5.673 -3.693 -8.493 1.00 0.00 O ATOM 1425 CB LEU A 808 -6.830 -3.051 -5.697 1.00 0.00 C ATOM 1426 CG LEU A 808 -7.783 -3.071 -4.517 1.00 0.00 C ATOM 1427 CD1 LEU A 808 -7.066 -2.620 -3.268 1.00 0.00 C ATOM 1428 CD2 LEU A 808 -8.994 -2.212 -4.813 1.00 0.00 C ATOM 0 H LEU A 808 -7.532 -5.276 -6.655 1.00 0.00 H new ATOM 0 HA LEU A 808 -8.344 -2.525 -7.125 1.00 0.00 H new ATOM 0 HB2 LEU A 808 -6.093 -3.844 -5.570 1.00 0.00 H new ATOM 0 HB3 LEU A 808 -6.286 -2.107 -5.696 1.00 0.00 H new ATOM 0 HG LEU A 808 -8.134 -4.089 -4.348 1.00 0.00 H new ATOM 0 HD11 LEU A 808 -7.757 -2.637 -2.425 1.00 0.00 H new ATOM 0 HD12 LEU A 808 -6.231 -3.290 -3.066 1.00 0.00 H new ATOM 0 HD13 LEU A 808 -6.692 -1.606 -3.409 1.00 0.00 H new ATOM 0 HD21 LEU A 808 -9.672 -2.233 -3.960 1.00 0.00 H new ATOM 0 HD22 LEU A 808 -8.676 -1.186 -4.999 1.00 0.00 H new ATOM 0 HD23 LEU A 808 -9.507 -2.598 -5.694 1.00 0.00 H new ATOM 1440 N SER A 809 -6.729 -1.726 -8.744 1.00 0.00 N ATOM 1441 CA SER A 809 -5.794 -1.209 -9.719 1.00 0.00 C ATOM 1442 C SER A 809 -5.784 0.316 -9.661 1.00 0.00 C ATOM 1443 O SER A 809 -6.533 0.986 -10.372 1.00 0.00 O ATOM 1444 CB SER A 809 -6.164 -1.696 -11.125 1.00 0.00 C ATOM 1445 OG SER A 809 -5.141 -1.397 -12.063 1.00 0.00 O ATOM 0 H SER A 809 -7.522 -1.113 -8.556 1.00 0.00 H new ATOM 0 HA SER A 809 -4.795 -1.577 -9.487 1.00 0.00 H new ATOM 0 HB2 SER A 809 -6.338 -2.772 -11.105 1.00 0.00 H new ATOM 0 HB3 SER A 809 -7.097 -1.228 -11.440 1.00 0.00 H new ATOM 0 HG SER A 809 -5.405 -1.721 -12.949 1.00 0.00 H new ATOM 1451 N GLN A 810 -4.953 0.849 -8.780 1.00 0.00 N ATOM 1452 CA GLN A 810 -4.725 2.287 -8.697 1.00 0.00 C ATOM 1453 C GLN A 810 -3.228 2.566 -8.543 1.00 0.00 C ATOM 1454 O GLN A 810 -2.461 1.622 -8.353 1.00 0.00 O ATOM 1455 CB GLN A 810 -5.532 2.908 -7.554 1.00 0.00 C ATOM 1456 CG GLN A 810 -6.864 3.475 -8.019 1.00 0.00 C ATOM 1457 CD GLN A 810 -7.585 4.258 -6.945 1.00 0.00 C ATOM 1458 OE1 GLN A 810 -7.427 5.473 -6.822 1.00 0.00 O ATOM 1459 NE2 GLN A 810 -8.372 3.560 -6.156 1.00 0.00 N ATOM 0 H GLN A 810 -4.419 0.302 -8.104 1.00 0.00 H new ATOM 0 HA GLN A 810 -5.069 2.752 -9.621 1.00 0.00 H new ATOM 0 HB2 GLN A 810 -5.710 2.153 -6.788 1.00 0.00 H new ATOM 0 HB3 GLN A 810 -4.946 3.701 -7.090 1.00 0.00 H new ATOM 0 HG2 GLN A 810 -6.696 4.122 -8.880 1.00 0.00 H new ATOM 0 HG3 GLN A 810 -7.502 2.658 -8.354 1.00 0.00 H new ATOM 0 HE21 GLN A 810 -8.472 2.555 -6.295 1.00 0.00 H new ATOM 0 HE22 GLN A 810 -8.882 4.024 -5.405 1.00 0.00 H new ATOM 1468 N PRO A 811 -2.782 3.841 -8.644 1.00 0.00 N ATOM 1469 CA PRO A 811 -1.356 4.200 -8.564 1.00 0.00 C ATOM 1470 C PRO A 811 -0.597 3.506 -7.430 1.00 0.00 C ATOM 1471 O PRO A 811 -1.100 3.364 -6.312 1.00 0.00 O ATOM 1472 CB PRO A 811 -1.393 5.706 -8.321 1.00 0.00 C ATOM 1473 CG PRO A 811 -2.637 6.165 -8.994 1.00 0.00 C ATOM 1474 CD PRO A 811 -3.624 5.033 -8.886 1.00 0.00 C ATOM 0 HA PRO A 811 -0.827 3.891 -9.465 1.00 0.00 H new ATOM 0 HB2 PRO A 811 -1.411 5.935 -7.256 1.00 0.00 H new ATOM 0 HB3 PRO A 811 -0.513 6.196 -8.737 1.00 0.00 H new ATOM 0 HG2 PRO A 811 -3.026 7.065 -8.518 1.00 0.00 H new ATOM 0 HG3 PRO A 811 -2.444 6.414 -10.038 1.00 0.00 H new ATOM 0 HD2 PRO A 811 -4.329 5.195 -8.070 1.00 0.00 H new ATOM 0 HD3 PRO A 811 -4.211 4.928 -9.798 1.00 0.00 H new ATOM 1482 N ASP A 812 0.622 3.082 -7.741 1.00 0.00 N ATOM 1483 CA ASP A 812 1.490 2.403 -6.784 1.00 0.00 C ATOM 1484 C ASP A 812 2.666 3.291 -6.404 1.00 0.00 C ATOM 1485 O ASP A 812 2.928 4.301 -7.058 1.00 0.00 O ATOM 1486 CB ASP A 812 2.008 1.076 -7.349 1.00 0.00 C ATOM 1487 CG ASP A 812 2.582 1.197 -8.748 1.00 0.00 C ATOM 1488 OD1 ASP A 812 1.906 0.771 -9.709 1.00 0.00 O ATOM 1489 OD2 ASP A 812 3.706 1.718 -8.900 1.00 0.00 O ATOM 0 H ASP A 812 1.038 3.199 -8.665 1.00 0.00 H new ATOM 0 HA ASP A 812 0.897 2.193 -5.894 1.00 0.00 H new ATOM 0 HB2 ASP A 812 2.775 0.681 -6.683 1.00 0.00 H new ATOM 0 HB3 ASP A 812 1.193 0.352 -7.361 1.00 0.00 H new ATOM 1494 N ALA A 813 3.363 2.916 -5.343 1.00 0.00 N ATOM 1495 CA ALA A 813 4.486 3.703 -4.847 1.00 0.00 C ATOM 1496 C ALA A 813 5.778 2.927 -4.999 1.00 0.00 C ATOM 1497 O ALA A 813 5.764 1.704 -5.036 1.00 0.00 O ATOM 1498 CB ALA A 813 4.280 4.071 -3.389 1.00 0.00 C ATOM 0 H ALA A 813 3.172 2.070 -4.806 1.00 0.00 H new ATOM 0 HA ALA A 813 4.546 4.619 -5.435 1.00 0.00 H new ATOM 0 HB1 ALA A 813 5.129 4.658 -3.038 1.00 0.00 H new ATOM 0 HB2 ALA A 813 3.367 4.657 -3.287 1.00 0.00 H new ATOM 0 HB3 ALA A 813 4.196 3.162 -2.793 1.00 0.00 H new ATOM 1504 N LYS A 814 6.891 3.623 -5.094 1.00 0.00 N ATOM 1505 CA LYS A 814 8.171 2.966 -5.175 1.00 0.00 C ATOM 1506 C LYS A 814 9.004 3.289 -3.945 1.00 0.00 C ATOM 1507 O LYS A 814 9.142 4.443 -3.559 1.00 0.00 O ATOM 1508 CB LYS A 814 8.913 3.379 -6.444 1.00 0.00 C ATOM 1509 CG LYS A 814 10.187 2.592 -6.658 1.00 0.00 C ATOM 1510 CD LYS A 814 10.913 3.020 -7.924 1.00 0.00 C ATOM 1511 CE LYS A 814 12.397 2.678 -7.863 1.00 0.00 C ATOM 1512 NZ LYS A 814 12.637 1.223 -7.675 1.00 0.00 N ATOM 0 H LYS A 814 6.932 4.642 -5.117 1.00 0.00 H new ATOM 0 HA LYS A 814 8.004 1.890 -5.214 1.00 0.00 H new ATOM 0 HB2 LYS A 814 8.257 3.242 -7.304 1.00 0.00 H new ATOM 0 HB3 LYS A 814 9.152 4.441 -6.391 1.00 0.00 H new ATOM 0 HG2 LYS A 814 10.845 2.726 -5.799 1.00 0.00 H new ATOM 0 HG3 LYS A 814 9.952 1.529 -6.716 1.00 0.00 H new ATOM 0 HD2 LYS A 814 10.461 2.530 -8.786 1.00 0.00 H new ATOM 0 HD3 LYS A 814 10.792 4.094 -8.068 1.00 0.00 H new ATOM 0 HE2 LYS A 814 12.881 3.007 -8.783 1.00 0.00 H new ATOM 0 HE3 LYS A 814 12.860 3.228 -7.044 1.00 0.00 H new ATOM 0 HZ1 LYS A 814 13.181 1.071 -6.802 1.00 0.00 H new ATOM 0 HZ2 LYS A 814 11.726 0.727 -7.606 1.00 0.00 H new ATOM 0 HZ3 LYS A 814 13.172 0.852 -8.486 1.00 0.00 H new ATOM 1526 N ILE A 815 9.539 2.255 -3.333 1.00 0.00 N ATOM 1527 CA ILE A 815 10.384 2.385 -2.161 1.00 0.00 C ATOM 1528 C ILE A 815 11.800 1.951 -2.520 1.00 0.00 C ATOM 1529 O ILE A 815 12.017 0.812 -2.918 1.00 0.00 O ATOM 1530 CB ILE A 815 9.863 1.503 -1.003 1.00 0.00 C ATOM 1531 CG1 ILE A 815 8.468 1.948 -0.552 1.00 0.00 C ATOM 1532 CG2 ILE A 815 10.830 1.513 0.168 1.00 0.00 C ATOM 1533 CD1 ILE A 815 7.332 1.201 -1.225 1.00 0.00 C ATOM 0 H ILE A 815 9.400 1.291 -3.636 1.00 0.00 H new ATOM 0 HA ILE A 815 10.373 3.426 -1.837 1.00 0.00 H new ATOM 0 HB ILE A 815 9.789 0.481 -1.376 1.00 0.00 H new ATOM 0 HG12 ILE A 815 8.387 1.815 0.527 1.00 0.00 H new ATOM 0 HG13 ILE A 815 8.356 3.014 -0.751 1.00 0.00 H new ATOM 0 HG21 ILE A 815 10.439 0.885 0.968 1.00 0.00 H new ATOM 0 HG22 ILE A 815 11.797 1.128 -0.156 1.00 0.00 H new ATOM 0 HG23 ILE A 815 10.949 2.533 0.533 1.00 0.00 H new ATOM 0 HD11 ILE A 815 6.379 1.575 -0.851 1.00 0.00 H new ATOM 0 HD12 ILE A 815 7.384 1.354 -2.303 1.00 0.00 H new ATOM 0 HD13 ILE A 815 7.416 0.137 -1.005 1.00 0.00 H new ATOM 1545 N GLN A 816 12.754 2.854 -2.416 1.00 0.00 N ATOM 1546 CA GLN A 816 14.130 2.535 -2.756 1.00 0.00 C ATOM 1547 C GLN A 816 14.994 2.466 -1.505 1.00 0.00 C ATOM 1548 O GLN A 816 15.212 3.469 -0.836 1.00 0.00 O ATOM 1549 CB GLN A 816 14.699 3.573 -3.718 1.00 0.00 C ATOM 1550 CG GLN A 816 16.131 3.284 -4.131 1.00 0.00 C ATOM 1551 CD GLN A 816 17.139 4.217 -3.482 1.00 0.00 C ATOM 1552 OE1 GLN A 816 17.466 5.264 -4.025 1.00 0.00 O ATOM 1553 NE2 GLN A 816 17.633 3.842 -2.314 1.00 0.00 N ATOM 0 H GLN A 816 12.605 3.812 -2.100 1.00 0.00 H new ATOM 0 HA GLN A 816 14.137 1.559 -3.242 1.00 0.00 H new ATOM 0 HB2 GLN A 816 14.072 3.615 -4.609 1.00 0.00 H new ATOM 0 HB3 GLN A 816 14.654 4.556 -3.250 1.00 0.00 H new ATOM 0 HG2 GLN A 816 16.377 2.255 -3.870 1.00 0.00 H new ATOM 0 HG3 GLN A 816 16.214 3.367 -5.215 1.00 0.00 H new ATOM 0 HE21 GLN A 816 17.335 2.962 -1.893 1.00 0.00 H new ATOM 0 HE22 GLN A 816 18.311 4.433 -1.834 1.00 0.00 H new ATOM 1562 N VAL A 817 15.493 1.286 -1.202 1.00 0.00 N ATOM 1563 CA VAL A 817 16.396 1.106 -0.081 1.00 0.00 C ATOM 1564 C VAL A 817 17.795 0.799 -0.591 1.00 0.00 C ATOM 1565 O VAL A 817 17.981 -0.114 -1.383 1.00 0.00 O ATOM 1566 CB VAL A 817 15.913 -0.036 0.838 1.00 0.00 C ATOM 1567 CG1 VAL A 817 16.890 -0.287 1.979 1.00 0.00 C ATOM 1568 CG2 VAL A 817 14.540 0.297 1.386 1.00 0.00 C ATOM 0 H VAL A 817 15.288 0.431 -1.719 1.00 0.00 H new ATOM 0 HA VAL A 817 16.413 2.029 0.498 1.00 0.00 H new ATOM 0 HB VAL A 817 15.857 -0.949 0.246 1.00 0.00 H new ATOM 0 HG11 VAL A 817 16.517 -1.097 2.605 1.00 0.00 H new ATOM 0 HG12 VAL A 817 17.863 -0.561 1.571 1.00 0.00 H new ATOM 0 HG13 VAL A 817 16.990 0.618 2.578 1.00 0.00 H new ATOM 0 HG21 VAL A 817 14.201 -0.511 2.035 1.00 0.00 H new ATOM 0 HG22 VAL A 817 14.591 1.224 1.957 1.00 0.00 H new ATOM 0 HG23 VAL A 817 13.838 0.418 0.561 1.00 0.00 H new ATOM 1578 N ARG A 818 18.770 1.586 -0.175 1.00 0.00 N ATOM 1579 CA ARG A 818 20.159 1.341 -0.550 1.00 0.00 C ATOM 1580 C ARG A 818 21.066 1.657 0.623 1.00 0.00 C ATOM 1581 O ARG A 818 20.799 2.578 1.390 1.00 0.00 O ATOM 1582 CB ARG A 818 20.568 2.177 -1.771 1.00 0.00 C ATOM 1583 CG ARG A 818 19.845 1.801 -3.057 1.00 0.00 C ATOM 1584 CD ARG A 818 20.242 0.421 -3.550 1.00 0.00 C ATOM 1585 NE ARG A 818 19.384 -0.027 -4.648 1.00 0.00 N ATOM 1586 CZ ARG A 818 19.810 -0.711 -5.709 1.00 0.00 C ATOM 1587 NH1 ARG A 818 21.092 -1.033 -5.839 1.00 0.00 N ATOM 1588 NH2 ARG A 818 18.943 -1.078 -6.638 1.00 0.00 N ATOM 0 H ARG A 818 18.631 2.401 0.422 1.00 0.00 H new ATOM 0 HA ARG A 818 20.258 0.289 -0.819 1.00 0.00 H new ATOM 0 HB2 ARG A 818 20.380 3.229 -1.556 1.00 0.00 H new ATOM 0 HB3 ARG A 818 21.642 2.070 -1.927 1.00 0.00 H new ATOM 0 HG2 ARG A 818 18.768 1.830 -2.889 1.00 0.00 H new ATOM 0 HG3 ARG A 818 20.068 2.539 -3.827 1.00 0.00 H new ATOM 0 HD2 ARG A 818 21.280 0.438 -3.882 1.00 0.00 H new ATOM 0 HD3 ARG A 818 20.182 -0.291 -2.727 1.00 0.00 H new ATOM 0 HE ARG A 818 18.391 0.200 -4.597 1.00 0.00 H new ATOM 0 HH11 ARG A 818 21.763 -0.756 -5.122 1.00 0.00 H new ATOM 0 HH12 ARG A 818 21.406 -1.557 -6.656 1.00 0.00 H new ATOM 0 HH21 ARG A 818 17.957 -0.837 -6.539 1.00 0.00 H new ATOM 0 HH22 ARG A 818 19.261 -1.602 -7.454 1.00 0.00 H new