USER MOD reduce.3.24.130724 H: found=0, std=0, add=836, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 837 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 786 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 787 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 778 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 781 LYS NZ :NH3+ 158:sc= 1.22 (180deg=1.11) USER MOD Set 3.1: A 739 SER OG : rot 80:sc= 0.323 USER MOD Set 3.2: A 782 THR OG1 : rot -110:sc= 0.903 USER MOD Set 4.1: A 722 SER OG : rot 160:sc= -0.254 USER MOD Set 4.2: A 724 SER OG : rot 180:sc= 0 USER MOD Set 4.3: A 810 GLN : amide:sc= 0.211 X(o=-0.043,f=-0.44) USER MOD Single : A 720 LYS NZ :NH3+ 168:sc= -0.031 (180deg=-0.214) USER MOD Single : A 726 LYS NZ :NH3+ -175:sc= 0.188 (180deg=0.181) USER MOD Single : A 728 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 729 HIS : no HD1:sc= -0.0752 X(o=-0.075,f=-0.088) USER MOD Single : A 732 LYS NZ :NH3+ -171:sc= 1.16 (180deg=1.01) 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 USER MOD Single : A 746 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 748 GLN : amide:sc= -1.38! K(o=-1.4!,f=0.0053) USER MOD Single : A 752 THR OG1 : rot 90:sc= -0.0093 USER MOD Single : A 754 THR OG1 : rot 76:sc= 0.114 USER MOD Single : A 755 TYR OH : rot -64:sc= 0.0572 USER MOD Single : A 760 THR OG1 : rot 150:sc= -2.04! USER MOD Single : A 762 SER OG : rot 180:sc= 0 USER MOD Single : A 763 SER OG : rot -44:sc= 0.836 USER MOD Single : A 764 LYS NZ :NH3+ 165:sc= 0.718 (180deg=-0.0219) USER MOD Single : A 766 LYS NZ :NH3+ -175:sc= 1 (180deg=0.956) USER MOD Single : A 767 THR OG1 : rot 180:sc= 0 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= 0.137 K(o=0.14,f=-0.42) USER MOD Single : A 791 TYR OH : rot 6:sc= 0.0376 USER MOD Single : A 794 SER OG : rot 180:sc= 0.00222 USER MOD Single : A 797 SER OG : rot 5:sc= 1.18 USER MOD Single : A 799 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0424) USER MOD Single : A 801 SER OG : rot -29:sc= 0.271 USER MOD Single : A 802 THR OG1 : rot -35:sc= 0.284 USER MOD Single : A 804 CYS SG : rot 180:sc= 0 USER MOD Single : A 809 SER OG : rot 180:sc= 0 USER MOD Single : A 814 LYS NZ :NH3+ 148:sc= 1.24 (180deg=1.12) USER MOD Single : A 816 GLN : amide:sc= 0.935 K(o=0.94,f=-6!) USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 718 -23.573 1.010 -4.244 1.00 0.00 N ATOM 2 CA ARG A 718 -22.412 0.226 -4.612 1.00 0.00 C ATOM 3 C ARG A 718 -21.296 1.173 -4.979 1.00 0.00 C ATOM 4 O ARG A 718 -21.512 2.166 -5.675 1.00 0.00 O ATOM 5 CB ARG A 718 -22.715 -0.704 -5.787 1.00 0.00 C ATOM 6 CG ARG A 718 -21.654 -1.773 -6.026 1.00 0.00 C ATOM 7 CD ARG A 718 -21.813 -2.962 -5.083 1.00 0.00 C ATOM 8 NE ARG A 718 -21.386 -2.672 -3.711 1.00 0.00 N ATOM 9 CZ ARG A 718 -22.155 -2.868 -2.634 1.00 0.00 C ATOM 10 NH1 ARG A 718 -23.390 -3.338 -2.768 1.00 0.00 N ATOM 11 NH2 ARG A 718 -21.680 -2.620 -1.420 1.00 0.00 N ATOM 0 HA ARG A 718 -22.122 -0.399 -3.767 1.00 0.00 H new ATOM 0 HB2 ARG A 718 -23.674 -1.192 -5.612 1.00 0.00 H new ATOM 0 HB3 ARG A 718 -22.822 -0.105 -6.692 1.00 0.00 H new ATOM 0 HG2 ARG A 718 -21.715 -2.119 -7.058 1.00 0.00 H new ATOM 0 HG3 ARG A 718 -20.664 -1.336 -5.894 1.00 0.00 H new ATOM 0 HD2 ARG A 718 -22.858 -3.273 -5.073 1.00 0.00 H new ATOM 0 HD3 ARG A 718 -21.234 -3.802 -5.467 1.00 0.00 H new ATOM 0 HE ARG A 718 -20.447 -2.299 -3.569 1.00 0.00 H new ATOM 0 HH11 ARG A 718 -23.757 -3.551 -3.696 1.00 0.00 H new ATOM 0 HH12 ARG A 718 -23.972 -3.485 -1.943 1.00 0.00 H new ATOM 0 HH21 ARG A 718 -20.726 -2.279 -1.306 1.00 0.00 H new ATOM 0 HH22 ARG A 718 -22.269 -2.771 -0.601 1.00 0.00 H new ATOM 25 N VAL A 719 -20.116 0.880 -4.494 1.00 0.00 N ATOM 26 CA VAL A 719 -18.971 1.712 -4.748 1.00 0.00 C ATOM 27 C VAL A 719 -17.807 0.856 -5.147 1.00 0.00 C ATOM 28 O VAL A 719 -17.710 -0.305 -4.747 1.00 0.00 O ATOM 29 CB VAL A 719 -18.577 2.577 -3.531 1.00 0.00 C ATOM 30 CG1 VAL A 719 -19.454 3.812 -3.458 1.00 0.00 C ATOM 31 CG2 VAL A 719 -18.661 1.776 -2.239 1.00 0.00 C ATOM 0 H VAL A 719 -19.924 0.062 -3.915 1.00 0.00 H new ATOM 0 HA VAL A 719 -19.243 2.393 -5.555 1.00 0.00 H new ATOM 0 HB VAL A 719 -17.542 2.894 -3.658 1.00 0.00 H new ATOM 0 HG11 VAL A 719 -19.165 4.413 -2.595 1.00 0.00 H new ATOM 0 HG12 VAL A 719 -19.331 4.400 -4.367 1.00 0.00 H new ATOM 0 HG13 VAL A 719 -20.497 3.512 -3.359 1.00 0.00 H new ATOM 0 HG21 VAL A 719 -18.378 2.410 -1.399 1.00 0.00 H new ATOM 0 HG22 VAL A 719 -19.681 1.420 -2.097 1.00 0.00 H new ATOM 0 HG23 VAL A 719 -17.984 0.924 -2.295 1.00 0.00 H new ATOM 41 N LYS A 720 -16.957 1.418 -5.960 1.00 0.00 N ATOM 42 CA LYS A 720 -15.741 0.747 -6.362 1.00 0.00 C ATOM 43 C LYS A 720 -14.592 1.214 -5.481 1.00 0.00 C ATOM 44 O LYS A 720 -14.024 2.286 -5.701 1.00 0.00 O ATOM 45 CB LYS A 720 -15.430 1.003 -7.834 1.00 0.00 C ATOM 46 CG LYS A 720 -16.501 0.482 -8.780 1.00 0.00 C ATOM 47 CD LYS A 720 -16.142 0.734 -10.237 1.00 0.00 C ATOM 48 CE LYS A 720 -14.864 0.010 -10.639 1.00 0.00 C ATOM 49 NZ LYS A 720 -14.966 -1.460 -10.448 1.00 0.00 N ATOM 0 H LYS A 720 -17.081 2.347 -6.363 1.00 0.00 H new ATOM 0 HA LYS A 720 -15.876 -0.328 -6.239 1.00 0.00 H new ATOM 0 HB2 LYS A 720 -15.309 2.075 -7.990 1.00 0.00 H new ATOM 0 HB3 LYS A 720 -14.478 0.535 -8.083 1.00 0.00 H new ATOM 0 HG2 LYS A 720 -16.638 -0.587 -8.620 1.00 0.00 H new ATOM 0 HG3 LYS A 720 -17.452 0.963 -8.552 1.00 0.00 H new ATOM 0 HD2 LYS A 720 -16.962 0.405 -10.875 1.00 0.00 H new ATOM 0 HD3 LYS A 720 -16.020 1.805 -10.401 1.00 0.00 H new ATOM 0 HE2 LYS A 720 -14.641 0.224 -11.684 1.00 0.00 H new ATOM 0 HE3 LYS A 720 -14.031 0.394 -10.050 1.00 0.00 H new ATOM 0 HZ1 LYS A 720 -14.164 -1.928 -10.917 1.00 0.00 H new ATOM 0 HZ2 LYS A 720 -14.948 -1.680 -9.432 1.00 0.00 H new ATOM 0 HZ3 LYS A 720 -15.857 -1.803 -10.861 1.00 0.00 H new ATOM 63 N PRO A 721 -14.248 0.422 -4.462 1.00 0.00 N ATOM 64 CA PRO A 721 -13.255 0.796 -3.472 1.00 0.00 C ATOM 65 C PRO A 721 -11.843 0.412 -3.903 1.00 0.00 C ATOM 66 O PRO A 721 -11.663 -0.498 -4.713 1.00 0.00 O ATOM 67 CB PRO A 721 -13.707 0.009 -2.243 1.00 0.00 C ATOM 68 CG PRO A 721 -14.424 -1.197 -2.772 1.00 0.00 C ATOM 69 CD PRO A 721 -14.773 -0.929 -4.215 1.00 0.00 C ATOM 0 HA PRO A 721 -13.198 1.871 -3.304 1.00 0.00 H new ATOM 0 HB2 PRO A 721 -12.854 -0.281 -1.629 1.00 0.00 H new ATOM 0 HB3 PRO A 721 -14.364 0.610 -1.614 1.00 0.00 H new ATOM 0 HG2 PRO A 721 -13.794 -2.083 -2.689 1.00 0.00 H new ATOM 0 HG3 PRO A 721 -15.325 -1.391 -2.191 1.00 0.00 H new ATOM 0 HD2 PRO A 721 -14.316 -1.663 -4.879 1.00 0.00 H new ATOM 0 HD3 PRO A 721 -15.849 -0.976 -4.381 1.00 0.00 H new ATOM 77 N SER A 722 -10.849 1.108 -3.360 1.00 0.00 N ATOM 78 CA SER A 722 -9.466 0.920 -3.767 1.00 0.00 C ATOM 79 C SER A 722 -8.557 1.799 -2.911 1.00 0.00 C ATOM 80 O SER A 722 -8.829 2.016 -1.733 1.00 0.00 O ATOM 81 CB SER A 722 -9.321 1.272 -5.253 1.00 0.00 C ATOM 82 OG SER A 722 -8.057 0.874 -5.764 1.00 0.00 O ATOM 0 H SER A 722 -10.980 1.811 -2.633 1.00 0.00 H new ATOM 0 HA SER A 722 -9.175 -0.121 -3.624 1.00 0.00 H new ATOM 0 HB2 SER A 722 -10.113 0.785 -5.822 1.00 0.00 H new ATOM 0 HB3 SER A 722 -9.446 2.346 -5.387 1.00 0.00 H new ATOM 0 HG SER A 722 -8.104 0.810 -6.741 1.00 0.00 H new ATOM 88 N ALA A 723 -7.477 2.294 -3.492 1.00 0.00 N ATOM 89 CA ALA A 723 -6.572 3.179 -2.786 1.00 0.00 C ATOM 90 C ALA A 723 -5.847 4.092 -3.761 1.00 0.00 C ATOM 91 O ALA A 723 -5.599 3.717 -4.904 1.00 0.00 O ATOM 92 CB ALA A 723 -5.577 2.377 -1.971 1.00 0.00 C ATOM 0 H ALA A 723 -7.207 2.096 -4.455 1.00 0.00 H new ATOM 0 HA ALA A 723 -7.157 3.799 -2.107 1.00 0.00 H new ATOM 0 HB1 ALA A 723 -4.905 3.056 -1.447 1.00 0.00 H new ATOM 0 HB2 ALA A 723 -6.111 1.764 -1.245 1.00 0.00 H new ATOM 0 HB3 ALA A 723 -4.999 1.733 -2.634 1.00 0.00 H new ATOM 98 N SER A 724 -5.511 5.286 -3.313 1.00 0.00 N ATOM 99 CA SER A 724 -4.824 6.240 -4.155 1.00 0.00 C ATOM 100 C SER A 724 -3.695 6.860 -3.360 1.00 0.00 C ATOM 101 O SER A 724 -3.911 7.768 -2.554 1.00 0.00 O ATOM 102 CB SER A 724 -5.797 7.311 -4.648 1.00 0.00 C ATOM 103 OG SER A 724 -6.822 6.739 -5.447 1.00 0.00 O ATOM 0 H SER A 724 -5.704 5.617 -2.368 1.00 0.00 H new ATOM 0 HA SER A 724 -4.416 5.737 -5.032 1.00 0.00 H new ATOM 0 HB2 SER A 724 -6.240 7.825 -3.795 1.00 0.00 H new ATOM 0 HB3 SER A 724 -5.256 8.060 -5.226 1.00 0.00 H new ATOM 0 HG SER A 724 -7.433 7.443 -5.749 1.00 0.00 H new ATOM 109 N LEU A 725 -2.496 6.345 -3.564 1.00 0.00 N ATOM 110 CA LEU A 725 -1.374 6.724 -2.749 1.00 0.00 C ATOM 111 C LEU A 725 -1.044 8.196 -2.945 1.00 0.00 C ATOM 112 O LEU A 725 -1.129 8.729 -4.052 1.00 0.00 O ATOM 113 CB LEU A 725 -0.159 5.870 -3.089 1.00 0.00 C ATOM 114 CG LEU A 725 -0.421 4.392 -3.427 1.00 0.00 C ATOM 115 CD1 LEU A 725 0.855 3.619 -3.284 1.00 0.00 C ATOM 116 CD2 LEU A 725 -1.498 3.766 -2.560 1.00 0.00 C ATOM 0 H LEU A 725 -2.282 5.662 -4.291 1.00 0.00 H new ATOM 0 HA LEU A 725 -1.640 6.561 -1.705 1.00 0.00 H new ATOM 0 HB2 LEU A 725 0.351 6.327 -3.937 1.00 0.00 H new ATOM 0 HB3 LEU A 725 0.530 5.908 -2.245 1.00 0.00 H new ATOM 0 HG LEU A 725 -0.783 4.354 -4.455 1.00 0.00 H new ATOM 0 HD11 LEU A 725 0.674 2.571 -3.523 1.00 0.00 H new ATOM 0 HD12 LEU A 725 1.603 4.023 -3.966 1.00 0.00 H new ATOM 0 HD13 LEU A 725 1.217 3.701 -2.259 1.00 0.00 H new ATOM 0 HD21 LEU A 725 -1.636 2.724 -2.847 1.00 0.00 H new ATOM 0 HD22 LEU A 725 -1.198 3.817 -1.513 1.00 0.00 H new ATOM 0 HD23 LEU A 725 -2.435 4.307 -2.696 1.00 0.00 H new ATOM 128 N LYS A 726 -0.674 8.841 -1.859 1.00 0.00 N ATOM 129 CA LYS A 726 -0.387 10.267 -1.866 1.00 0.00 C ATOM 130 C LYS A 726 1.098 10.498 -2.085 1.00 0.00 C ATOM 131 O LYS A 726 1.513 11.573 -2.517 1.00 0.00 O ATOM 132 CB LYS A 726 -0.832 10.915 -0.559 1.00 0.00 C ATOM 133 CG LYS A 726 -2.237 10.527 -0.149 1.00 0.00 C ATOM 134 CD LYS A 726 -2.792 11.455 0.916 1.00 0.00 C ATOM 135 CE LYS A 726 -3.123 12.818 0.336 1.00 0.00 C ATOM 136 NZ LYS A 726 -3.687 13.741 1.357 1.00 0.00 N ATOM 0 H LYS A 726 -0.563 8.397 -0.947 1.00 0.00 H new ATOM 0 HA LYS A 726 -0.943 10.726 -2.683 1.00 0.00 H new ATOM 0 HB2 LYS A 726 -0.138 10.633 0.233 1.00 0.00 H new ATOM 0 HB3 LYS A 726 -0.776 11.999 -0.661 1.00 0.00 H new ATOM 0 HG2 LYS A 726 -2.889 10.546 -1.023 1.00 0.00 H new ATOM 0 HG3 LYS A 726 -2.236 9.503 0.226 1.00 0.00 H new ATOM 0 HD2 LYS A 726 -3.688 11.016 1.354 1.00 0.00 H new ATOM 0 HD3 LYS A 726 -2.065 11.566 1.721 1.00 0.00 H new ATOM 0 HE2 LYS A 726 -2.222 13.258 -0.091 1.00 0.00 H new ATOM 0 HE3 LYS A 726 -3.837 12.700 -0.479 1.00 0.00 H new ATOM 0 HZ1 LYS A 726 -3.976 14.629 0.900 1.00 0.00 H new ATOM 0 HZ2 LYS A 726 -4.513 13.298 1.807 1.00 0.00 H new ATOM 0 HZ3 LYS A 726 -2.966 13.942 2.079 1.00 0.00 H new ATOM 150 N LEU A 727 1.899 9.486 -1.770 1.00 0.00 N ATOM 151 CA LEU A 727 3.322 9.535 -2.059 1.00 0.00 C ATOM 152 C LEU A 727 3.493 9.435 -3.575 1.00 0.00 C ATOM 153 O LEU A 727 3.264 8.376 -4.160 1.00 0.00 O ATOM 154 CB LEU A 727 4.053 8.379 -1.357 1.00 0.00 C ATOM 155 CG LEU A 727 5.505 8.648 -0.929 1.00 0.00 C ATOM 156 CD1 LEU A 727 6.372 9.038 -2.112 1.00 0.00 C ATOM 157 CD2 LEU A 727 5.561 9.723 0.144 1.00 0.00 C ATOM 0 H LEU A 727 1.587 8.627 -1.317 1.00 0.00 H new ATOM 0 HA LEU A 727 3.751 10.467 -1.691 1.00 0.00 H new ATOM 0 HB2 LEU A 727 3.482 8.101 -0.471 1.00 0.00 H new ATOM 0 HB3 LEU A 727 4.047 7.516 -2.023 1.00 0.00 H new ATOM 0 HG LEU A 727 5.900 7.720 -0.515 1.00 0.00 H new ATOM 0 HD11 LEU A 727 7.391 9.220 -1.772 1.00 0.00 H new ATOM 0 HD12 LEU A 727 6.373 8.231 -2.844 1.00 0.00 H new ATOM 0 HD13 LEU A 727 5.975 9.944 -2.571 1.00 0.00 H new ATOM 0 HD21 LEU A 727 6.598 9.897 0.431 1.00 0.00 H new ATOM 0 HD22 LEU A 727 5.132 10.647 -0.244 1.00 0.00 H new ATOM 0 HD23 LEU A 727 4.993 9.397 1.015 1.00 0.00 H new ATOM 169 N HIS A 728 3.881 10.529 -4.211 1.00 0.00 N ATOM 170 CA HIS A 728 3.860 10.599 -5.670 1.00 0.00 C ATOM 171 C HIS A 728 5.251 10.487 -6.279 1.00 0.00 C ATOM 172 O HIS A 728 5.585 11.227 -7.205 1.00 0.00 O ATOM 173 CB HIS A 728 3.200 11.899 -6.132 1.00 0.00 C ATOM 174 CG HIS A 728 1.740 11.987 -5.811 1.00 0.00 C ATOM 175 ND1 HIS A 728 1.166 13.091 -5.220 1.00 0.00 N ATOM 176 CD2 HIS A 728 0.733 11.101 -6.005 1.00 0.00 C ATOM 177 CE1 HIS A 728 -0.127 12.880 -5.061 1.00 0.00 C ATOM 178 NE2 HIS A 728 -0.415 11.682 -5.530 1.00 0.00 N ATOM 0 H HIS A 728 4.212 11.376 -3.748 1.00 0.00 H new ATOM 0 HA HIS A 728 3.278 9.745 -6.018 1.00 0.00 H new ATOM 0 HB2 HIS A 728 3.715 12.741 -5.669 1.00 0.00 H new ATOM 0 HB3 HIS A 728 3.332 11.999 -7.209 1.00 0.00 H new ATOM 0 HD2 HIS A 728 0.819 10.121 -6.450 1.00 0.00 H new ATOM 0 HE1 HIS A 728 -0.830 13.572 -4.621 1.00 0.00 H new ATOM 0 HE2 HIS A 728 -1.342 11.256 -5.538 1.00 0.00 H new ATOM 187 N HIS A 729 6.053 9.568 -5.757 1.00 0.00 N ATOM 188 CA HIS A 729 7.383 9.295 -6.301 1.00 0.00 C ATOM 189 C HIS A 729 8.059 8.188 -5.509 1.00 0.00 C ATOM 190 O HIS A 729 7.458 7.612 -4.603 1.00 0.00 O ATOM 191 CB HIS A 729 8.277 10.548 -6.337 1.00 0.00 C ATOM 192 CG HIS A 729 8.479 11.216 -5.015 1.00 0.00 C ATOM 193 ND1 HIS A 729 9.699 11.295 -4.384 1.00 0.00 N ATOM 194 CD2 HIS A 729 7.603 11.865 -4.222 1.00 0.00 C ATOM 195 CE1 HIS A 729 9.565 11.968 -3.258 1.00 0.00 C ATOM 196 NE2 HIS A 729 8.300 12.327 -3.133 1.00 0.00 N ATOM 0 H HIS A 729 5.806 8.993 -4.951 1.00 0.00 H new ATOM 0 HA HIS A 729 7.245 8.972 -7.333 1.00 0.00 H new ATOM 0 HB2 HIS A 729 9.251 10.270 -6.740 1.00 0.00 H new ATOM 0 HB3 HIS A 729 7.840 11.268 -7.029 1.00 0.00 H new ATOM 0 HD2 HIS A 729 6.548 11.997 -4.409 1.00 0.00 H new ATOM 0 HE1 HIS A 729 10.356 12.188 -2.556 1.00 0.00 H new ATOM 0 HE2 HIS A 729 7.906 12.859 -2.357 1.00 0.00 H new ATOM 205 N ASP A 730 9.294 7.883 -5.864 1.00 0.00 N ATOM 206 CA ASP A 730 10.054 6.855 -5.174 1.00 0.00 C ATOM 207 C ASP A 730 10.608 7.382 -3.858 1.00 0.00 C ATOM 208 O ASP A 730 10.812 8.587 -3.690 1.00 0.00 O ATOM 209 CB ASP A 730 11.200 6.359 -6.053 1.00 0.00 C ATOM 210 CG ASP A 730 12.217 7.439 -6.345 1.00 0.00 C ATOM 211 OD1 ASP A 730 13.206 7.548 -5.597 1.00 0.00 O ATOM 212 OD2 ASP A 730 12.031 8.185 -7.331 1.00 0.00 O ATOM 0 H ASP A 730 9.794 8.335 -6.630 1.00 0.00 H new ATOM 0 HA ASP A 730 9.380 6.025 -4.962 1.00 0.00 H new ATOM 0 HB2 ASP A 730 11.695 5.522 -5.560 1.00 0.00 H new ATOM 0 HB3 ASP A 730 10.796 5.982 -6.992 1.00 0.00 H new ATOM 217 N LEU A 731 10.831 6.471 -2.930 1.00 0.00 N ATOM 218 CA LEU A 731 11.382 6.800 -1.635 1.00 0.00 C ATOM 219 C LEU A 731 12.850 6.434 -1.570 1.00 0.00 C ATOM 220 O LEU A 731 13.246 5.381 -2.044 1.00 0.00 O ATOM 221 CB LEU A 731 10.605 6.066 -0.551 1.00 0.00 C ATOM 222 CG LEU A 731 9.251 6.677 -0.253 1.00 0.00 C ATOM 223 CD1 LEU A 731 8.465 5.825 0.726 1.00 0.00 C ATOM 224 CD2 LEU A 731 9.412 8.094 0.276 1.00 0.00 C ATOM 0 H LEU A 731 10.633 5.478 -3.057 1.00 0.00 H new ATOM 0 HA LEU A 731 11.294 7.875 -1.476 1.00 0.00 H new ATOM 0 HB2 LEU A 731 10.467 5.028 -0.855 1.00 0.00 H new ATOM 0 HB3 LEU A 731 11.198 6.054 0.364 1.00 0.00 H new ATOM 0 HG LEU A 731 8.687 6.716 -1.185 1.00 0.00 H new ATOM 0 HD11 LEU A 731 7.499 6.291 0.919 1.00 0.00 H new ATOM 0 HD12 LEU A 731 8.312 4.832 0.303 1.00 0.00 H new ATOM 0 HD13 LEU A 731 9.020 5.739 1.660 1.00 0.00 H new ATOM 0 HD21 LEU A 731 8.430 8.518 0.485 1.00 0.00 H new ATOM 0 HD22 LEU A 731 10.002 8.075 1.193 1.00 0.00 H new ATOM 0 HD23 LEU A 731 9.920 8.705 -0.470 1.00 0.00 H new ATOM 236 N LYS A 732 13.650 7.308 -0.996 1.00 0.00 N ATOM 237 CA LYS A 732 15.073 7.041 -0.835 1.00 0.00 C ATOM 238 C LYS A 732 15.397 6.670 0.608 1.00 0.00 C ATOM 239 O LYS A 732 15.432 7.527 1.495 1.00 0.00 O ATOM 240 CB LYS A 732 15.912 8.239 -1.278 1.00 0.00 C ATOM 241 CG LYS A 732 15.934 8.436 -2.785 1.00 0.00 C ATOM 242 CD LYS A 732 16.233 7.130 -3.508 1.00 0.00 C ATOM 243 CE LYS A 732 16.675 7.359 -4.943 1.00 0.00 C ATOM 244 NZ LYS A 732 15.702 8.177 -5.713 1.00 0.00 N ATOM 0 H LYS A 732 13.344 8.210 -0.632 1.00 0.00 H new ATOM 0 HA LYS A 732 15.325 6.194 -1.474 1.00 0.00 H new ATOM 0 HB2 LYS A 732 15.521 9.141 -0.807 1.00 0.00 H new ATOM 0 HB3 LYS A 732 16.934 8.110 -0.921 1.00 0.00 H new ATOM 0 HG2 LYS A 732 14.972 8.826 -3.117 1.00 0.00 H new ATOM 0 HG3 LYS A 732 16.687 9.180 -3.046 1.00 0.00 H new ATOM 0 HD2 LYS A 732 17.012 6.589 -2.971 1.00 0.00 H new ATOM 0 HD3 LYS A 732 15.344 6.500 -3.499 1.00 0.00 H new ATOM 0 HE2 LYS A 732 17.645 7.855 -4.946 1.00 0.00 H new ATOM 0 HE3 LYS A 732 16.808 6.397 -5.437 1.00 0.00 H new ATOM 0 HZ1 LYS A 732 15.968 8.178 -6.718 1.00 0.00 H new ATOM 0 HZ2 LYS A 732 14.749 7.774 -5.608 1.00 0.00 H new ATOM 0 HZ3 LYS A 732 15.707 9.153 -5.353 1.00 0.00 H new ATOM 258 N LEU A 733 15.612 5.383 0.834 1.00 0.00 N ATOM 259 CA LEU A 733 15.912 4.861 2.164 1.00 0.00 C ATOM 260 C LEU A 733 17.341 4.353 2.232 1.00 0.00 C ATOM 261 O LEU A 733 17.997 4.151 1.208 1.00 0.00 O ATOM 262 CB LEU A 733 14.965 3.709 2.524 1.00 0.00 C ATOM 263 CG LEU A 733 13.629 4.086 3.185 1.00 0.00 C ATOM 264 CD1 LEU A 733 13.124 5.435 2.724 1.00 0.00 C ATOM 265 CD2 LEU A 733 12.593 3.024 2.899 1.00 0.00 C ATOM 0 H LEU A 733 15.584 4.670 0.105 1.00 0.00 H new ATOM 0 HA LEU A 733 15.779 5.678 2.873 1.00 0.00 H new ATOM 0 HB2 LEU A 733 14.747 3.152 1.613 1.00 0.00 H new ATOM 0 HB3 LEU A 733 15.495 3.031 3.193 1.00 0.00 H new ATOM 0 HG LEU A 733 13.804 4.151 4.259 1.00 0.00 H new ATOM 0 HD11 LEU A 733 12.178 5.658 3.218 1.00 0.00 H new ATOM 0 HD12 LEU A 733 13.855 6.203 2.977 1.00 0.00 H new ATOM 0 HD13 LEU A 733 12.974 5.418 1.644 1.00 0.00 H new ATOM 0 HD21 LEU A 733 11.650 3.299 3.371 1.00 0.00 H new ATOM 0 HD22 LEU A 733 12.448 2.938 1.822 1.00 0.00 H new ATOM 0 HD23 LEU A 733 12.933 2.068 3.297 1.00 0.00 H new ATOM 277 N CYS A 734 17.816 4.166 3.446 1.00 0.00 N ATOM 278 CA CYS A 734 19.089 3.520 3.688 1.00 0.00 C ATOM 279 C CYS A 734 18.816 2.112 4.186 1.00 0.00 C ATOM 280 O CYS A 734 17.661 1.693 4.254 1.00 0.00 O ATOM 281 CB CYS A 734 19.894 4.315 4.712 1.00 0.00 C ATOM 282 SG CYS A 734 20.106 6.057 4.278 1.00 0.00 S ATOM 0 H CYS A 734 17.330 4.458 4.294 1.00 0.00 H new ATOM 0 HA CYS A 734 19.675 3.476 2.770 1.00 0.00 H new ATOM 0 HB2 CYS A 734 19.399 4.249 5.681 1.00 0.00 H new ATOM 0 HB3 CYS A 734 20.876 3.856 4.824 1.00 0.00 H new ATOM 0 HG CYS A 734 20.798 6.654 5.203 1.00 0.00 H new ATOM 288 N LEU A 735 19.849 1.372 4.528 1.00 0.00 N ATOM 289 CA LEU A 735 19.649 -0.005 4.908 1.00 0.00 C ATOM 290 C LEU A 735 19.277 -0.079 6.366 1.00 0.00 C ATOM 291 O LEU A 735 19.847 0.620 7.208 1.00 0.00 O ATOM 292 CB LEU A 735 20.871 -0.849 4.577 1.00 0.00 C ATOM 293 CG LEU A 735 20.739 -2.353 4.835 1.00 0.00 C ATOM 294 CD1 LEU A 735 21.665 -3.133 3.924 1.00 0.00 C ATOM 295 CD2 LEU A 735 21.100 -2.660 6.260 1.00 0.00 C ATOM 0 H LEU A 735 20.816 1.694 4.550 1.00 0.00 H new ATOM 0 HA LEU A 735 18.824 -0.422 4.330 1.00 0.00 H new ATOM 0 HB2 LEU A 735 21.116 -0.701 3.525 1.00 0.00 H new ATOM 0 HB3 LEU A 735 21.715 -0.474 5.156 1.00 0.00 H new ATOM 0 HG LEU A 735 19.707 -2.642 4.638 1.00 0.00 H new ATOM 0 HD11 LEU A 735 21.557 -4.199 4.122 1.00 0.00 H new ATOM 0 HD12 LEU A 735 21.409 -2.929 2.884 1.00 0.00 H new ATOM 0 HD13 LEU A 735 22.696 -2.832 4.109 1.00 0.00 H new ATOM 0 HD21 LEU A 735 21.004 -3.731 6.437 1.00 0.00 H new ATOM 0 HD22 LEU A 735 22.128 -2.352 6.449 1.00 0.00 H new ATOM 0 HD23 LEU A 735 20.430 -2.120 6.929 1.00 0.00 H new ATOM 307 N GLY A 736 18.307 -0.917 6.648 1.00 0.00 N ATOM 308 CA GLY A 736 17.725 -0.950 7.966 1.00 0.00 C ATOM 309 C GLY A 736 16.670 0.125 8.116 1.00 0.00 C ATOM 310 O GLY A 736 16.167 0.370 9.215 1.00 0.00 O ATOM 0 H GLY A 736 17.907 -1.581 5.985 1.00 0.00 H new ATOM 0 HA2 GLY A 736 17.281 -1.929 8.148 1.00 0.00 H new ATOM 0 HA3 GLY A 736 18.504 -0.809 8.716 1.00 0.00 H new ATOM 314 N ASP A 737 16.343 0.783 7.007 1.00 0.00 N ATOM 315 CA ASP A 737 15.294 1.804 7.011 1.00 0.00 C ATOM 316 C ASP A 737 13.945 1.219 6.632 1.00 0.00 C ATOM 317 O ASP A 737 13.857 0.295 5.828 1.00 0.00 O ATOM 318 CB ASP A 737 15.619 2.949 6.048 1.00 0.00 C ATOM 319 CG ASP A 737 16.095 4.193 6.759 1.00 0.00 C ATOM 320 OD1 ASP A 737 15.328 4.741 7.577 1.00 0.00 O ATOM 321 OD2 ASP A 737 17.224 4.646 6.485 1.00 0.00 O ATOM 0 H ASP A 737 16.784 0.631 6.100 1.00 0.00 H new ATOM 0 HA ASP A 737 15.247 2.191 8.029 1.00 0.00 H new ATOM 0 HB2 ASP A 737 16.386 2.621 5.346 1.00 0.00 H new ATOM 0 HB3 ASP A 737 14.732 3.188 5.462 1.00 0.00 H new ATOM 326 N HIS A 738 12.900 1.760 7.234 1.00 0.00 N ATOM 327 CA HIS A 738 11.535 1.464 6.834 1.00 0.00 C ATOM 328 C HIS A 738 10.966 2.721 6.201 1.00 0.00 C ATOM 329 O HIS A 738 11.631 3.758 6.191 1.00 0.00 O ATOM 330 CB HIS A 738 10.677 1.016 8.033 1.00 0.00 C ATOM 331 CG HIS A 738 10.282 2.113 8.979 1.00 0.00 C ATOM 332 ND1 HIS A 738 11.081 2.530 10.020 1.00 0.00 N ATOM 333 CD2 HIS A 738 9.158 2.874 9.043 1.00 0.00 C ATOM 334 CE1 HIS A 738 10.471 3.494 10.680 1.00 0.00 C ATOM 335 NE2 HIS A 738 9.305 3.724 10.110 1.00 0.00 N ATOM 0 H HIS A 738 12.973 2.415 8.012 1.00 0.00 H new ATOM 0 HA HIS A 738 11.526 0.637 6.124 1.00 0.00 H new ATOM 0 HB2 HIS A 738 9.772 0.540 7.655 1.00 0.00 H new ATOM 0 HB3 HIS A 738 11.227 0.257 8.590 1.00 0.00 H new ATOM 0 HD2 HIS A 738 8.308 2.820 8.379 1.00 0.00 H new ATOM 0 HE1 HIS A 738 10.862 4.010 11.545 1.00 0.00 H new ATOM 0 HE2 HIS A 738 8.623 4.420 10.413 1.00 0.00 H new ATOM 344 N SER A 739 9.758 2.655 5.686 1.00 0.00 N ATOM 345 CA SER A 739 9.188 3.814 5.016 1.00 0.00 C ATOM 346 C SER A 739 7.770 4.100 5.486 1.00 0.00 C ATOM 347 O SER A 739 7.182 3.339 6.256 1.00 0.00 O ATOM 348 CB SER A 739 9.217 3.623 3.499 1.00 0.00 C ATOM 349 OG SER A 739 9.653 2.316 3.159 1.00 0.00 O ATOM 0 H SER A 739 9.158 1.831 5.714 1.00 0.00 H new ATOM 0 HA SER A 739 9.801 4.676 5.278 1.00 0.00 H new ATOM 0 HB2 SER A 739 8.223 3.797 3.088 1.00 0.00 H new ATOM 0 HB3 SER A 739 9.881 4.360 3.049 1.00 0.00 H new ATOM 0 HG SER A 739 8.908 1.687 3.257 1.00 0.00 H new ATOM 355 N SER A 740 7.246 5.218 5.028 1.00 0.00 N ATOM 356 CA SER A 740 5.895 5.635 5.348 1.00 0.00 C ATOM 357 C SER A 740 5.263 6.305 4.134 1.00 0.00 C ATOM 358 O SER A 740 5.607 7.434 3.780 1.00 0.00 O ATOM 359 CB SER A 740 5.898 6.588 6.543 1.00 0.00 C ATOM 360 OG SER A 740 6.524 5.991 7.669 1.00 0.00 O ATOM 0 H SER A 740 7.747 5.866 4.421 1.00 0.00 H new ATOM 0 HA SER A 740 5.307 4.757 5.615 1.00 0.00 H new ATOM 0 HB2 SER A 740 6.419 7.508 6.278 1.00 0.00 H new ATOM 0 HB3 SER A 740 4.874 6.864 6.795 1.00 0.00 H new ATOM 0 HG SER A 740 6.515 6.620 8.420 1.00 0.00 H new ATOM 366 N VAL A 741 4.342 5.604 3.503 1.00 0.00 N ATOM 367 CA VAL A 741 3.703 6.087 2.293 1.00 0.00 C ATOM 368 C VAL A 741 2.247 6.435 2.571 1.00 0.00 C ATOM 369 O VAL A 741 1.428 5.565 2.862 1.00 0.00 O ATOM 370 CB VAL A 741 3.821 5.056 1.143 1.00 0.00 C ATOM 371 CG1 VAL A 741 3.656 3.639 1.662 1.00 0.00 C ATOM 372 CG2 VAL A 741 2.806 5.333 0.040 1.00 0.00 C ATOM 0 H VAL A 741 4.016 4.688 3.812 1.00 0.00 H new ATOM 0 HA VAL A 741 4.219 6.991 1.971 1.00 0.00 H new ATOM 0 HB VAL A 741 4.820 5.157 0.719 1.00 0.00 H new ATOM 0 HG11 VAL A 741 3.743 2.936 0.834 1.00 0.00 H new ATOM 0 HG12 VAL A 741 4.431 3.429 2.399 1.00 0.00 H new ATOM 0 HG13 VAL A 741 2.675 3.533 2.126 1.00 0.00 H new ATOM 0 HG21 VAL A 741 2.917 4.591 -0.751 1.00 0.00 H new ATOM 0 HG22 VAL A 741 1.798 5.278 0.451 1.00 0.00 H new ATOM 0 HG23 VAL A 741 2.977 6.328 -0.370 1.00 0.00 H new ATOM 382 N PRO A 742 1.915 7.728 2.512 1.00 0.00 N ATOM 383 CA PRO A 742 0.568 8.197 2.768 1.00 0.00 C ATOM 384 C PRO A 742 -0.367 7.832 1.630 1.00 0.00 C ATOM 385 O PRO A 742 -0.025 8.021 0.469 1.00 0.00 O ATOM 386 CB PRO A 742 0.702 9.717 2.912 1.00 0.00 C ATOM 387 CG PRO A 742 2.158 10.033 2.745 1.00 0.00 C ATOM 388 CD PRO A 742 2.825 8.819 2.173 1.00 0.00 C ATOM 0 HA PRO A 742 0.139 7.739 3.659 1.00 0.00 H new ATOM 0 HB2 PRO A 742 0.104 10.232 2.160 1.00 0.00 H new ATOM 0 HB3 PRO A 742 0.342 10.048 3.886 1.00 0.00 H new ATOM 0 HG2 PRO A 742 2.290 10.889 2.084 1.00 0.00 H new ATOM 0 HG3 PRO A 742 2.604 10.299 3.703 1.00 0.00 H new ATOM 0 HD2 PRO A 742 2.959 8.907 1.095 1.00 0.00 H new ATOM 0 HD3 PRO A 742 3.813 8.664 2.606 1.00 0.00 H new ATOM 396 N VAL A 743 -1.520 7.263 1.954 1.00 0.00 N ATOM 397 CA VAL A 743 -2.475 6.861 0.931 1.00 0.00 C ATOM 398 C VAL A 743 -3.893 7.340 1.227 1.00 0.00 C ATOM 399 O VAL A 743 -4.503 6.961 2.221 1.00 0.00 O ATOM 400 CB VAL A 743 -2.513 5.342 0.759 1.00 0.00 C ATOM 401 CG1 VAL A 743 -3.432 4.987 -0.386 1.00 0.00 C ATOM 402 CG2 VAL A 743 -1.115 4.768 0.567 1.00 0.00 C ATOM 0 H VAL A 743 -1.815 7.070 2.911 1.00 0.00 H new ATOM 0 HA VAL A 743 -2.126 7.333 0.013 1.00 0.00 H new ATOM 0 HB VAL A 743 -2.907 4.892 1.670 1.00 0.00 H new ATOM 0 HG11 VAL A 743 -3.459 3.904 -0.509 1.00 0.00 H new ATOM 0 HG12 VAL A 743 -4.436 5.353 -0.173 1.00 0.00 H new ATOM 0 HG13 VAL A 743 -3.065 5.447 -1.303 1.00 0.00 H new ATOM 0 HG21 VAL A 743 -1.179 3.686 0.448 1.00 0.00 H new ATOM 0 HG22 VAL A 743 -0.661 5.205 -0.323 1.00 0.00 H new ATOM 0 HG23 VAL A 743 -0.503 5.001 1.438 1.00 0.00 H new ATOM 412 N ALA A 744 -4.411 8.165 0.340 1.00 0.00 N ATOM 413 CA ALA A 744 -5.808 8.549 0.369 1.00 0.00 C ATOM 414 C ALA A 744 -6.620 7.470 -0.314 1.00 0.00 C ATOM 415 O ALA A 744 -6.723 7.408 -1.538 1.00 0.00 O ATOM 416 CB ALA A 744 -6.018 9.903 -0.276 1.00 0.00 C ATOM 0 H ALA A 744 -3.877 8.587 -0.420 1.00 0.00 H new ATOM 0 HA ALA A 744 -6.141 8.646 1.402 1.00 0.00 H new ATOM 0 HB1 ALA A 744 -7.076 10.164 -0.239 1.00 0.00 H new ATOM 0 HB2 ALA A 744 -5.440 10.655 0.261 1.00 0.00 H new ATOM 0 HB3 ALA A 744 -5.690 9.866 -1.315 1.00 0.00 H new ATOM 422 N LEU A 745 -7.167 6.612 0.512 1.00 0.00 N ATOM 423 CA LEU A 745 -7.776 5.377 0.075 1.00 0.00 C ATOM 424 C LEU A 745 -9.149 5.608 -0.536 1.00 0.00 C ATOM 425 O LEU A 745 -9.788 6.634 -0.298 1.00 0.00 O ATOM 426 CB LEU A 745 -7.864 4.453 1.279 1.00 0.00 C ATOM 427 CG LEU A 745 -6.553 4.350 2.059 1.00 0.00 C ATOM 428 CD1 LEU A 745 -6.818 4.194 3.538 1.00 0.00 C ATOM 429 CD2 LEU A 745 -5.715 3.198 1.547 1.00 0.00 C ATOM 0 H LEU A 745 -7.203 6.753 1.522 1.00 0.00 H new ATOM 0 HA LEU A 745 -7.166 4.926 -0.708 1.00 0.00 H new ATOM 0 HB2 LEU A 745 -8.649 4.810 1.946 1.00 0.00 H new ATOM 0 HB3 LEU A 745 -8.159 3.458 0.944 1.00 0.00 H new ATOM 0 HG LEU A 745 -5.997 5.275 1.907 1.00 0.00 H new ATOM 0 HD11 LEU A 745 -5.870 4.123 4.072 1.00 0.00 H new ATOM 0 HD12 LEU A 745 -7.375 5.058 3.901 1.00 0.00 H new ATOM 0 HD13 LEU A 745 -7.400 3.289 3.710 1.00 0.00 H new ATOM 0 HD21 LEU A 745 -4.787 3.143 2.116 1.00 0.00 H new ATOM 0 HD22 LEU A 745 -6.268 2.266 1.663 1.00 0.00 H new ATOM 0 HD23 LEU A 745 -5.486 3.355 0.493 1.00 0.00 H new ATOM 441 N LYS A 746 -9.590 4.642 -1.320 1.00 0.00 N ATOM 442 CA LYS A 746 -10.866 4.724 -2.000 1.00 0.00 C ATOM 443 C LYS A 746 -11.831 3.709 -1.420 1.00 0.00 C ATOM 444 O LYS A 746 -11.444 2.617 -1.015 1.00 0.00 O ATOM 445 CB LYS A 746 -10.693 4.478 -3.494 1.00 0.00 C ATOM 446 CG LYS A 746 -11.991 4.512 -4.297 1.00 0.00 C ATOM 447 CD LYS A 746 -12.565 5.917 -4.411 1.00 0.00 C ATOM 448 CE LYS A 746 -11.727 6.801 -5.322 1.00 0.00 C ATOM 449 NZ LYS A 746 -12.340 8.143 -5.505 1.00 0.00 N ATOM 0 H LYS A 746 -9.074 3.781 -1.502 1.00 0.00 H new ATOM 0 HA LYS A 746 -11.270 5.726 -1.855 1.00 0.00 H new ATOM 0 HB2 LYS A 746 -10.012 5.228 -3.896 1.00 0.00 H new ATOM 0 HB3 LYS A 746 -10.218 3.507 -3.637 1.00 0.00 H new ATOM 0 HG2 LYS A 746 -11.808 4.115 -5.295 1.00 0.00 H new ATOM 0 HG3 LYS A 746 -12.725 3.860 -3.824 1.00 0.00 H new ATOM 0 HD2 LYS A 746 -13.584 5.863 -4.795 1.00 0.00 H new ATOM 0 HD3 LYS A 746 -12.621 6.367 -3.420 1.00 0.00 H new ATOM 0 HE2 LYS A 746 -10.727 6.912 -4.902 1.00 0.00 H new ATOM 0 HE3 LYS A 746 -11.613 6.318 -6.292 1.00 0.00 H new ATOM 0 HZ1 LYS A 746 -11.740 8.716 -6.132 1.00 0.00 H new ATOM 0 HZ2 LYS A 746 -13.284 8.039 -5.929 1.00 0.00 H new ATOM 0 HZ3 LYS A 746 -12.426 8.614 -4.582 1.00 0.00 H new ATOM 463 N GLY A 747 -13.082 4.078 -1.409 1.00 0.00 N ATOM 464 CA GLY A 747 -14.109 3.225 -0.854 1.00 0.00 C ATOM 465 C GLY A 747 -14.544 3.695 0.509 1.00 0.00 C ATOM 466 O GLY A 747 -13.746 3.748 1.437 1.00 0.00 O ATOM 0 H GLY A 747 -13.421 4.966 -1.778 1.00 0.00 H new ATOM 0 HA2 GLY A 747 -14.968 3.206 -1.524 1.00 0.00 H new ATOM 0 HA3 GLY A 747 -13.736 2.203 -0.785 1.00 0.00 H new ATOM 470 N GLN A 748 -15.814 4.017 0.637 1.00 0.00 N ATOM 471 CA GLN A 748 -16.322 4.616 1.859 1.00 0.00 C ATOM 472 C GLN A 748 -17.125 3.612 2.671 1.00 0.00 C ATOM 473 O GLN A 748 -18.219 3.203 2.277 1.00 0.00 O ATOM 474 CB GLN A 748 -17.154 5.865 1.552 1.00 0.00 C ATOM 475 CG GLN A 748 -18.042 5.762 0.314 1.00 0.00 C ATOM 476 CD GLN A 748 -17.404 6.373 -0.925 1.00 0.00 C ATOM 477 OE1 GLN A 748 -17.535 7.571 -1.172 1.00 0.00 O ATOM 478 NE2 GLN A 748 -16.732 5.559 -1.730 1.00 0.00 N ATOM 0 H GLN A 748 -16.516 3.875 -0.089 1.00 0.00 H new ATOM 0 HA GLN A 748 -15.466 4.921 2.461 1.00 0.00 H new ATOM 0 HB2 GLN A 748 -17.783 6.085 2.414 1.00 0.00 H new ATOM 0 HB3 GLN A 748 -16.478 6.711 1.426 1.00 0.00 H new ATOM 0 HG2 GLN A 748 -18.267 4.713 0.121 1.00 0.00 H new ATOM 0 HG3 GLN A 748 -18.991 6.261 0.511 1.00 0.00 H new ATOM 0 HE21 GLN A 748 -16.642 4.570 -1.496 1.00 0.00 H new ATOM 0 HE22 GLN A 748 -16.306 5.922 -2.582 1.00 0.00 H new ATOM 487 N GLY A 749 -16.556 3.215 3.799 1.00 0.00 N ATOM 488 CA GLY A 749 -17.164 2.213 4.647 1.00 0.00 C ATOM 489 C GLY A 749 -16.137 1.220 5.126 1.00 0.00 C ATOM 490 O GLY A 749 -14.955 1.396 4.865 1.00 0.00 O ATOM 0 H GLY A 749 -15.668 3.577 4.146 1.00 0.00 H new ATOM 0 HA2 GLY A 749 -17.638 2.694 5.503 1.00 0.00 H new ATOM 0 HA3 GLY A 749 -17.949 1.694 4.098 1.00 0.00 H new ATOM 494 N PRO A 750 -16.546 0.177 5.849 1.00 0.00 N ATOM 495 CA PRO A 750 -15.626 -0.843 6.339 1.00 0.00 C ATOM 496 C PRO A 750 -15.101 -1.724 5.210 1.00 0.00 C ATOM 497 O PRO A 750 -15.736 -2.710 4.831 1.00 0.00 O ATOM 498 CB PRO A 750 -16.478 -1.666 7.318 1.00 0.00 C ATOM 499 CG PRO A 750 -17.728 -0.873 7.520 1.00 0.00 C ATOM 500 CD PRO A 750 -17.922 -0.086 6.262 1.00 0.00 C ATOM 0 HA PRO A 750 -14.740 -0.407 6.801 1.00 0.00 H new ATOM 0 HB2 PRO A 750 -16.700 -2.653 6.912 1.00 0.00 H new ATOM 0 HB3 PRO A 750 -15.954 -1.820 8.261 1.00 0.00 H new ATOM 0 HG2 PRO A 750 -18.580 -1.527 7.707 1.00 0.00 H new ATOM 0 HG3 PRO A 750 -17.637 -0.214 8.383 1.00 0.00 H new ATOM 0 HD2 PRO A 750 -18.472 -0.650 5.509 1.00 0.00 H new ATOM 0 HD3 PRO A 750 -18.477 0.835 6.439 1.00 0.00 H new ATOM 508 N PHE A 751 -13.944 -1.364 4.673 1.00 0.00 N ATOM 509 CA PHE A 751 -13.345 -2.120 3.584 1.00 0.00 C ATOM 510 C PHE A 751 -12.056 -2.795 4.022 1.00 0.00 C ATOM 511 O PHE A 751 -11.263 -2.218 4.762 1.00 0.00 O ATOM 512 CB PHE A 751 -13.080 -1.212 2.382 1.00 0.00 C ATOM 513 CG PHE A 751 -14.343 -0.758 1.701 1.00 0.00 C ATOM 514 CD1 PHE A 751 -14.936 0.460 2.002 1.00 0.00 C ATOM 515 CD2 PHE A 751 -14.949 -1.571 0.760 1.00 0.00 C ATOM 516 CE1 PHE A 751 -16.103 0.847 1.376 1.00 0.00 C ATOM 517 CE2 PHE A 751 -16.117 -1.183 0.132 1.00 0.00 C ATOM 518 CZ PHE A 751 -16.693 0.027 0.442 1.00 0.00 C ATOM 0 H PHE A 751 -13.402 -0.554 4.974 1.00 0.00 H new ATOM 0 HA PHE A 751 -14.053 -2.896 3.293 1.00 0.00 H new ATOM 0 HB2 PHE A 751 -12.516 -0.339 2.710 1.00 0.00 H new ATOM 0 HB3 PHE A 751 -12.456 -1.743 1.663 1.00 0.00 H new ATOM 0 HD1 PHE A 751 -14.480 1.111 2.733 1.00 0.00 H new ATOM 0 HD2 PHE A 751 -14.503 -2.523 0.513 1.00 0.00 H new ATOM 0 HE1 PHE A 751 -16.555 1.797 1.620 1.00 0.00 H new ATOM 0 HE2 PHE A 751 -16.577 -1.829 -0.601 1.00 0.00 H new ATOM 0 HZ PHE A 751 -17.606 0.333 -0.047 1.00 0.00 H new ATOM 528 N THR A 752 -11.846 -4.021 3.562 1.00 0.00 N ATOM 529 CA THR A 752 -10.631 -4.741 3.887 1.00 0.00 C ATOM 530 C THR A 752 -9.581 -4.444 2.841 1.00 0.00 C ATOM 531 O THR A 752 -9.645 -4.923 1.712 1.00 0.00 O ATOM 532 CB THR A 752 -10.856 -6.265 4.042 1.00 0.00 C ATOM 533 OG1 THR A 752 -11.770 -6.510 5.119 1.00 0.00 O ATOM 534 CG2 THR A 752 -9.543 -6.974 4.324 1.00 0.00 C ATOM 0 H THR A 752 -12.499 -4.531 2.967 1.00 0.00 H new ATOM 0 HA THR A 752 -10.286 -4.394 4.861 1.00 0.00 H new ATOM 0 HB THR A 752 -11.270 -6.651 3.111 1.00 0.00 H new ATOM 0 HG1 THR A 752 -12.687 -6.520 4.774 1.00 0.00 H new ATOM 0 HG21 THR A 752 -9.723 -8.044 4.430 1.00 0.00 H new ATOM 0 HG22 THR A 752 -8.852 -6.802 3.499 1.00 0.00 H new ATOM 0 HG23 THR A 752 -9.111 -6.586 5.246 1.00 0.00 H new ATOM 542 N LEU A 753 -8.636 -3.619 3.239 1.00 0.00 N ATOM 543 CA LEU A 753 -7.636 -3.085 2.344 1.00 0.00 C ATOM 544 C LEU A 753 -6.396 -3.968 2.341 1.00 0.00 C ATOM 545 O LEU A 753 -5.736 -4.127 3.366 1.00 0.00 O ATOM 546 CB LEU A 753 -7.273 -1.673 2.798 1.00 0.00 C ATOM 547 CG LEU A 753 -6.170 -0.989 1.994 1.00 0.00 C ATOM 548 CD1 LEU A 753 -6.689 -0.506 0.649 1.00 0.00 C ATOM 549 CD2 LEU A 753 -5.573 0.146 2.794 1.00 0.00 C ATOM 0 H LEU A 753 -8.541 -3.298 4.203 1.00 0.00 H new ATOM 0 HA LEU A 753 -8.035 -3.057 1.330 1.00 0.00 H new ATOM 0 HB2 LEU A 753 -8.169 -1.054 2.753 1.00 0.00 H new ATOM 0 HB3 LEU A 753 -6.965 -1.714 3.843 1.00 0.00 H new ATOM 0 HG LEU A 753 -5.385 -1.718 1.793 1.00 0.00 H new ATOM 0 HD11 LEU A 753 -5.881 -0.023 0.099 1.00 0.00 H new ATOM 0 HD12 LEU A 753 -7.061 -1.356 0.076 1.00 0.00 H new ATOM 0 HD13 LEU A 753 -7.498 0.208 0.806 1.00 0.00 H new ATOM 0 HD21 LEU A 753 -4.787 0.627 2.212 1.00 0.00 H new ATOM 0 HD22 LEU A 753 -6.350 0.874 3.028 1.00 0.00 H new ATOM 0 HD23 LEU A 753 -5.151 -0.244 3.720 1.00 0.00 H new ATOM 561 N THR A 754 -6.089 -4.548 1.194 1.00 0.00 N ATOM 562 CA THR A 754 -4.923 -5.398 1.063 1.00 0.00 C ATOM 563 C THR A 754 -3.953 -4.807 0.052 1.00 0.00 C ATOM 564 O THR A 754 -4.350 -4.452 -1.061 1.00 0.00 O ATOM 565 CB THR A 754 -5.310 -6.803 0.600 1.00 0.00 C ATOM 566 OG1 THR A 754 -6.603 -7.153 1.113 1.00 0.00 O ATOM 567 CG2 THR A 754 -4.281 -7.791 1.096 1.00 0.00 C ATOM 0 H THR A 754 -6.634 -4.444 0.338 1.00 0.00 H new ATOM 0 HA THR A 754 -4.453 -5.461 2.044 1.00 0.00 H new ATOM 0 HB THR A 754 -5.346 -6.826 -0.489 1.00 0.00 H new ATOM 0 HG1 THR A 754 -7.296 -6.692 0.596 1.00 0.00 H new ATOM 0 HG21 THR A 754 -4.553 -8.795 0.768 1.00 0.00 H new ATOM 0 HG22 THR A 754 -3.302 -7.530 0.693 1.00 0.00 H new ATOM 0 HG23 THR A 754 -4.244 -7.762 2.185 1.00 0.00 H new ATOM 575 N TYR A 755 -2.691 -4.701 0.427 1.00 0.00 N ATOM 576 CA TYR A 755 -1.696 -4.136 -0.467 1.00 0.00 C ATOM 577 C TYR A 755 -0.379 -4.908 -0.402 1.00 0.00 C ATOM 578 O TYR A 755 -0.066 -5.545 0.611 1.00 0.00 O ATOM 579 CB TYR A 755 -1.483 -2.649 -0.158 1.00 0.00 C ATOM 580 CG TYR A 755 -1.225 -2.335 1.302 1.00 0.00 C ATOM 581 CD1 TYR A 755 0.025 -2.537 1.871 1.00 0.00 C ATOM 582 CD2 TYR A 755 -2.233 -1.819 2.105 1.00 0.00 C ATOM 583 CE1 TYR A 755 0.262 -2.238 3.196 1.00 0.00 C ATOM 584 CE2 TYR A 755 -2.007 -1.519 3.435 1.00 0.00 C ATOM 585 CZ TYR A 755 -0.754 -1.731 3.975 1.00 0.00 C ATOM 586 OH TYR A 755 -0.515 -1.433 5.298 1.00 0.00 O ATOM 0 H TYR A 755 -2.333 -4.996 1.336 1.00 0.00 H new ATOM 0 HA TYR A 755 -2.070 -4.225 -1.487 1.00 0.00 H new ATOM 0 HB2 TYR A 755 -0.641 -2.287 -0.748 1.00 0.00 H new ATOM 0 HB3 TYR A 755 -2.363 -2.095 -0.485 1.00 0.00 H new ATOM 0 HD1 TYR A 755 0.826 -2.935 1.265 1.00 0.00 H new ATOM 0 HD2 TYR A 755 -3.212 -1.649 1.682 1.00 0.00 H new ATOM 0 HE1 TYR A 755 1.241 -2.401 3.621 1.00 0.00 H new ATOM 0 HE2 TYR A 755 -2.804 -1.122 4.047 1.00 0.00 H new ATOM 0 HH TYR A 755 -0.299 -2.256 5.785 1.00 0.00 H new ATOM 596 N ASP A 756 0.377 -4.854 -1.494 1.00 0.00 N ATOM 597 CA ASP A 756 1.626 -5.597 -1.614 1.00 0.00 C ATOM 598 C ASP A 756 2.824 -4.673 -1.716 1.00 0.00 C ATOM 599 O ASP A 756 2.935 -3.873 -2.640 1.00 0.00 O ATOM 600 CB ASP A 756 1.604 -6.524 -2.843 1.00 0.00 C ATOM 601 CG ASP A 756 1.217 -5.828 -4.143 1.00 0.00 C ATOM 602 OD1 ASP A 756 0.092 -5.297 -4.231 1.00 0.00 O ATOM 603 OD2 ASP A 756 2.013 -5.862 -5.104 1.00 0.00 O ATOM 0 H ASP A 756 0.143 -4.297 -2.316 1.00 0.00 H new ATOM 0 HA ASP A 756 1.719 -6.195 -0.708 1.00 0.00 H new ATOM 0 HB2 ASP A 756 2.590 -6.973 -2.964 1.00 0.00 H new ATOM 0 HB3 ASP A 756 0.904 -7.338 -2.657 1.00 0.00 H new ATOM 608 N ILE A 757 3.720 -4.787 -0.752 1.00 0.00 N ATOM 609 CA ILE A 757 5.022 -4.172 -0.861 1.00 0.00 C ATOM 610 C ILE A 757 5.961 -5.195 -1.479 1.00 0.00 C ATOM 611 O ILE A 757 6.508 -6.060 -0.798 1.00 0.00 O ATOM 612 CB ILE A 757 5.559 -3.688 0.510 1.00 0.00 C ATOM 613 CG1 ILE A 757 4.778 -2.464 0.998 1.00 0.00 C ATOM 614 CG2 ILE A 757 7.046 -3.380 0.445 1.00 0.00 C ATOM 615 CD1 ILE A 757 3.516 -2.806 1.759 1.00 0.00 C ATOM 0 H ILE A 757 3.565 -5.302 0.115 1.00 0.00 H new ATOM 0 HA ILE A 757 4.951 -3.282 -1.487 1.00 0.00 H new ATOM 0 HB ILE A 757 5.416 -4.498 1.225 1.00 0.00 H new ATOM 0 HG12 ILE A 757 5.425 -1.864 1.638 1.00 0.00 H new ATOM 0 HG13 ILE A 757 4.517 -1.846 0.139 1.00 0.00 H new ATOM 0 HG21 ILE A 757 7.391 -3.043 1.423 1.00 0.00 H new ATOM 0 HG22 ILE A 757 7.592 -4.279 0.158 1.00 0.00 H new ATOM 0 HG23 ILE A 757 7.223 -2.597 -0.292 1.00 0.00 H new ATOM 0 HD11 ILE A 757 3.019 -1.887 2.071 1.00 0.00 H new ATOM 0 HD12 ILE A 757 2.848 -3.380 1.117 1.00 0.00 H new ATOM 0 HD13 ILE A 757 3.770 -3.398 2.638 1.00 0.00 H new ATOM 627 N ILE A 758 6.115 -5.105 -2.781 1.00 0.00 N ATOM 628 CA ILE A 758 6.816 -6.116 -3.535 1.00 0.00 C ATOM 629 C ILE A 758 8.201 -5.645 -3.919 1.00 0.00 C ATOM 630 O ILE A 758 8.427 -4.461 -4.097 1.00 0.00 O ATOM 631 CB ILE A 758 6.012 -6.489 -4.796 1.00 0.00 C ATOM 632 CG1 ILE A 758 5.754 -5.264 -5.669 1.00 0.00 C ATOM 633 CG2 ILE A 758 4.699 -7.113 -4.400 1.00 0.00 C ATOM 634 CD1 ILE A 758 6.686 -5.164 -6.856 1.00 0.00 C ATOM 0 H ILE A 758 5.759 -4.332 -3.344 1.00 0.00 H new ATOM 0 HA ILE A 758 6.921 -6.999 -2.905 1.00 0.00 H new ATOM 0 HB ILE A 758 6.600 -7.203 -5.373 1.00 0.00 H new ATOM 0 HG12 ILE A 758 4.725 -5.292 -6.026 1.00 0.00 H new ATOM 0 HG13 ILE A 758 5.856 -4.366 -5.060 1.00 0.00 H new ATOM 0 HG21 ILE A 758 4.136 -7.374 -5.296 1.00 0.00 H new ATOM 0 HG22 ILE A 758 4.886 -8.013 -3.814 1.00 0.00 H new ATOM 0 HG23 ILE A 758 4.124 -6.404 -3.804 1.00 0.00 H new ATOM 0 HD11 ILE A 758 6.446 -4.271 -7.433 1.00 0.00 H new ATOM 0 HD12 ILE A 758 7.716 -5.104 -6.506 1.00 0.00 H new ATOM 0 HD13 ILE A 758 6.568 -6.045 -7.487 1.00 0.00 H new ATOM 646 N GLU A 759 9.132 -6.564 -4.035 1.00 0.00 N ATOM 647 CA GLU A 759 10.465 -6.201 -4.453 1.00 0.00 C ATOM 648 C GLU A 759 10.633 -6.434 -5.943 1.00 0.00 C ATOM 649 O GLU A 759 10.220 -7.465 -6.481 1.00 0.00 O ATOM 650 CB GLU A 759 11.524 -6.981 -3.681 1.00 0.00 C ATOM 651 CG GLU A 759 11.433 -8.471 -3.842 1.00 0.00 C ATOM 652 CD GLU A 759 12.762 -9.156 -3.589 1.00 0.00 C ATOM 653 OE1 GLU A 759 12.923 -10.313 -4.014 1.00 0.00 O ATOM 654 OE2 GLU A 759 13.649 -8.546 -2.969 1.00 0.00 O ATOM 0 H GLU A 759 8.993 -7.557 -3.848 1.00 0.00 H new ATOM 0 HA GLU A 759 10.602 -5.141 -4.238 1.00 0.00 H new ATOM 0 HB2 GLU A 759 12.511 -6.652 -4.007 1.00 0.00 H new ATOM 0 HB3 GLU A 759 11.439 -6.736 -2.622 1.00 0.00 H new ATOM 0 HG2 GLU A 759 10.686 -8.864 -3.152 1.00 0.00 H new ATOM 0 HG3 GLU A 759 11.091 -8.706 -4.850 1.00 0.00 H new ATOM 661 N THR A 760 11.233 -5.467 -6.607 1.00 0.00 N ATOM 662 CA THR A 760 11.572 -5.594 -8.001 1.00 0.00 C ATOM 663 C THR A 760 12.869 -6.375 -8.117 1.00 0.00 C ATOM 664 O THR A 760 13.342 -6.693 -9.209 1.00 0.00 O ATOM 665 CB THR A 760 11.740 -4.207 -8.630 1.00 0.00 C ATOM 666 OG1 THR A 760 12.893 -3.549 -8.105 1.00 0.00 O ATOM 667 CG2 THR A 760 10.541 -3.370 -8.334 1.00 0.00 C ATOM 0 H THR A 760 11.497 -4.574 -6.192 1.00 0.00 H new ATOM 0 HA THR A 760 10.775 -6.118 -8.528 1.00 0.00 H new ATOM 0 HB THR A 760 11.856 -4.336 -9.706 1.00 0.00 H new ATOM 0 HG1 THR A 760 13.265 -2.948 -8.784 1.00 0.00 H new ATOM 0 HG21 THR A 760 10.665 -2.385 -8.783 1.00 0.00 H new ATOM 0 HG22 THR A 760 9.653 -3.848 -8.747 1.00 0.00 H new ATOM 0 HG23 THR A 760 10.428 -3.265 -7.255 1.00 0.00 H new ATOM 675 N PHE A 761 13.427 -6.678 -6.950 1.00 0.00 N ATOM 676 CA PHE A 761 14.702 -7.353 -6.841 1.00 0.00 C ATOM 677 C PHE A 761 14.561 -8.829 -7.214 1.00 0.00 C ATOM 678 O PHE A 761 15.455 -9.407 -7.833 1.00 0.00 O ATOM 679 CB PHE A 761 15.215 -7.203 -5.406 1.00 0.00 C ATOM 680 CG PHE A 761 16.688 -7.435 -5.235 1.00 0.00 C ATOM 681 CD1 PHE A 761 17.587 -6.403 -5.445 1.00 0.00 C ATOM 682 CD2 PHE A 761 17.172 -8.673 -4.845 1.00 0.00 C ATOM 683 CE1 PHE A 761 18.943 -6.600 -5.270 1.00 0.00 C ATOM 684 CE2 PHE A 761 18.527 -8.876 -4.672 1.00 0.00 C ATOM 685 CZ PHE A 761 19.413 -7.839 -4.884 1.00 0.00 C ATOM 0 H PHE A 761 12.999 -6.458 -6.051 1.00 0.00 H new ATOM 0 HA PHE A 761 15.416 -6.905 -7.532 1.00 0.00 H new ATOM 0 HB2 PHE A 761 14.976 -6.200 -5.053 1.00 0.00 H new ATOM 0 HB3 PHE A 761 14.675 -7.902 -4.767 1.00 0.00 H new ATOM 0 HD1 PHE A 761 17.224 -5.433 -5.749 1.00 0.00 H new ATOM 0 HD2 PHE A 761 16.483 -9.487 -4.675 1.00 0.00 H new ATOM 0 HE1 PHE A 761 19.634 -5.786 -5.435 1.00 0.00 H new ATOM 0 HE2 PHE A 761 18.893 -9.846 -4.371 1.00 0.00 H new ATOM 0 HZ PHE A 761 20.473 -7.997 -4.748 1.00 0.00 H new ATOM 695 N SER A 762 13.421 -9.427 -6.861 1.00 0.00 N ATOM 696 CA SER A 762 13.139 -10.808 -7.235 1.00 0.00 C ATOM 697 C SER A 762 11.679 -11.188 -6.958 1.00 0.00 C ATOM 698 O SER A 762 10.850 -11.161 -7.870 1.00 0.00 O ATOM 699 CB SER A 762 14.088 -11.780 -6.521 1.00 0.00 C ATOM 700 OG SER A 762 13.966 -13.093 -7.045 1.00 0.00 O ATOM 0 H SER A 762 12.684 -8.976 -6.319 1.00 0.00 H new ATOM 0 HA SER A 762 13.306 -10.886 -8.309 1.00 0.00 H new ATOM 0 HB2 SER A 762 15.116 -11.436 -6.631 1.00 0.00 H new ATOM 0 HB3 SER A 762 13.868 -11.790 -5.454 1.00 0.00 H new ATOM 0 HG SER A 762 14.582 -13.692 -6.574 1.00 0.00 H new ATOM 706 N SER A 763 11.354 -11.517 -5.705 1.00 0.00 N ATOM 707 CA SER A 763 10.025 -12.033 -5.383 1.00 0.00 C ATOM 708 C SER A 763 9.743 -12.046 -3.870 1.00 0.00 C ATOM 709 O SER A 763 8.929 -12.843 -3.396 1.00 0.00 O ATOM 710 CB SER A 763 9.876 -13.450 -5.959 1.00 0.00 C ATOM 711 OG SER A 763 8.555 -13.945 -5.801 1.00 0.00 O ATOM 0 H SER A 763 11.985 -11.436 -4.908 1.00 0.00 H new ATOM 0 HA SER A 763 9.294 -11.362 -5.834 1.00 0.00 H new ATOM 0 HB2 SER A 763 10.137 -13.442 -7.017 1.00 0.00 H new ATOM 0 HB3 SER A 763 10.578 -14.120 -5.462 1.00 0.00 H new ATOM 0 HG SER A 763 8.236 -13.744 -4.896 1.00 0.00 H new ATOM 717 N LYS A 764 10.379 -11.161 -3.107 1.00 0.00 N ATOM 718 CA LYS A 764 10.102 -11.074 -1.669 1.00 0.00 C ATOM 719 C LYS A 764 8.881 -10.198 -1.425 1.00 0.00 C ATOM 720 O LYS A 764 8.918 -9.248 -0.640 1.00 0.00 O ATOM 721 CB LYS A 764 11.298 -10.518 -0.892 1.00 0.00 C ATOM 722 CG LYS A 764 12.579 -11.312 -1.068 1.00 0.00 C ATOM 723 CD LYS A 764 13.733 -10.654 -0.328 1.00 0.00 C ATOM 724 CE LYS A 764 15.077 -11.069 -0.904 1.00 0.00 C ATOM 725 NZ LYS A 764 15.196 -10.697 -2.340 1.00 0.00 N ATOM 0 H LYS A 764 11.079 -10.503 -3.449 1.00 0.00 H new ATOM 0 HA LYS A 764 9.909 -12.085 -1.310 1.00 0.00 H new ATOM 0 HB2 LYS A 764 11.475 -9.490 -1.207 1.00 0.00 H new ATOM 0 HB3 LYS A 764 11.046 -10.487 0.168 1.00 0.00 H new ATOM 0 HG2 LYS A 764 12.436 -12.327 -0.697 1.00 0.00 H new ATOM 0 HG3 LYS A 764 12.820 -11.391 -2.128 1.00 0.00 H new ATOM 0 HD2 LYS A 764 13.631 -9.570 -0.385 1.00 0.00 H new ATOM 0 HD3 LYS A 764 13.690 -10.923 0.727 1.00 0.00 H new ATOM 0 HE2 LYS A 764 15.878 -10.595 -0.337 1.00 0.00 H new ATOM 0 HE3 LYS A 764 15.203 -12.146 -0.795 1.00 0.00 H new ATOM 0 HZ1 LYS A 764 16.192 -10.757 -2.633 1.00 0.00 H new ATOM 0 HZ2 LYS A 764 14.626 -11.349 -2.916 1.00 0.00 H new ATOM 0 HZ3 LYS A 764 14.854 -9.724 -2.476 1.00 0.00 H new ATOM 739 N ARG A 765 7.806 -10.533 -2.113 1.00 0.00 N ATOM 740 CA ARG A 765 6.565 -9.796 -2.039 1.00 0.00 C ATOM 741 C ARG A 765 5.972 -9.821 -0.634 1.00 0.00 C ATOM 742 O ARG A 765 5.681 -10.883 -0.082 1.00 0.00 O ATOM 743 CB ARG A 765 5.583 -10.366 -3.064 1.00 0.00 C ATOM 744 CG ARG A 765 4.133 -10.037 -2.778 1.00 0.00 C ATOM 745 CD ARG A 765 3.272 -10.163 -4.027 1.00 0.00 C ATOM 746 NE ARG A 765 3.263 -11.524 -4.561 1.00 0.00 N ATOM 747 CZ ARG A 765 2.339 -11.991 -5.403 1.00 0.00 C ATOM 748 NH1 ARG A 765 1.349 -11.208 -5.818 1.00 0.00 N ATOM 749 NH2 ARG A 765 2.411 -13.244 -5.833 1.00 0.00 N ATOM 0 H ARG A 765 7.772 -11.333 -2.745 1.00 0.00 H new ATOM 0 HA ARG A 765 6.765 -8.750 -2.272 1.00 0.00 H new ATOM 0 HB2 ARG A 765 5.843 -9.985 -4.052 1.00 0.00 H new ATOM 0 HB3 ARG A 765 5.699 -11.449 -3.099 1.00 0.00 H new ATOM 0 HG2 ARG A 765 3.753 -10.705 -2.005 1.00 0.00 H new ATOM 0 HG3 ARG A 765 4.060 -9.022 -2.386 1.00 0.00 H new ATOM 0 HD2 ARG A 765 2.251 -9.860 -3.794 1.00 0.00 H new ATOM 0 HD3 ARG A 765 3.641 -9.478 -4.790 1.00 0.00 H new ATOM 0 HE ARG A 765 4.010 -12.156 -4.272 1.00 0.00 H new ATOM 0 HH11 ARG A 765 1.292 -10.243 -5.493 1.00 0.00 H new ATOM 0 HH12 ARG A 765 0.646 -11.572 -6.462 1.00 0.00 H new ATOM 0 HH21 ARG A 765 3.171 -13.848 -5.520 1.00 0.00 H new ATOM 0 HH22 ARG A 765 1.706 -13.604 -6.477 1.00 0.00 H new ATOM 763 N LYS A 766 5.804 -8.637 -0.066 1.00 0.00 N ATOM 764 CA LYS A 766 5.202 -8.476 1.234 1.00 0.00 C ATOM 765 C LYS A 766 3.742 -8.115 1.044 1.00 0.00 C ATOM 766 O LYS A 766 3.383 -7.413 0.106 1.00 0.00 O ATOM 767 CB LYS A 766 5.938 -7.383 2.028 1.00 0.00 C ATOM 768 CG LYS A 766 5.566 -7.313 3.508 1.00 0.00 C ATOM 769 CD LYS A 766 4.282 -6.535 3.755 1.00 0.00 C ATOM 770 CE LYS A 766 3.909 -6.526 5.229 1.00 0.00 C ATOM 771 NZ LYS A 766 3.560 -7.879 5.740 1.00 0.00 N ATOM 0 H LYS A 766 6.086 -7.759 -0.503 1.00 0.00 H new ATOM 0 HA LYS A 766 5.276 -9.404 1.801 1.00 0.00 H new ATOM 0 HB2 LYS A 766 7.012 -7.552 1.944 1.00 0.00 H new ATOM 0 HB3 LYS A 766 5.731 -6.417 1.569 1.00 0.00 H new ATOM 0 HG2 LYS A 766 5.454 -8.325 3.898 1.00 0.00 H new ATOM 0 HG3 LYS A 766 6.381 -6.846 4.061 1.00 0.00 H new ATOM 0 HD2 LYS A 766 4.403 -5.510 3.403 1.00 0.00 H new ATOM 0 HD3 LYS A 766 3.471 -6.977 3.176 1.00 0.00 H new ATOM 0 HE2 LYS A 766 4.742 -6.127 5.808 1.00 0.00 H new ATOM 0 HE3 LYS A 766 3.064 -5.855 5.382 1.00 0.00 H new ATOM 0 HZ1 LYS A 766 3.233 -7.805 6.724 1.00 0.00 H new ATOM 0 HZ2 LYS A 766 2.804 -8.287 5.154 1.00 0.00 H new ATOM 0 HZ3 LYS A 766 4.399 -8.492 5.700 1.00 0.00 H new ATOM 785 N THR A 767 2.909 -8.607 1.918 1.00 0.00 N ATOM 786 CA THR A 767 1.484 -8.357 1.836 1.00 0.00 C ATOM 787 C THR A 767 0.934 -7.929 3.196 1.00 0.00 C ATOM 788 O THR A 767 1.247 -8.541 4.219 1.00 0.00 O ATOM 789 CB THR A 767 0.760 -9.622 1.350 1.00 0.00 C ATOM 790 OG1 THR A 767 1.316 -10.043 0.093 1.00 0.00 O ATOM 791 CG2 THR A 767 -0.735 -9.380 1.194 1.00 0.00 C ATOM 0 H THR A 767 3.190 -9.191 2.706 1.00 0.00 H new ATOM 0 HA THR A 767 1.312 -7.549 1.125 1.00 0.00 H new ATOM 0 HB THR A 767 0.900 -10.402 2.098 1.00 0.00 H new ATOM 0 HG1 THR A 767 0.854 -10.851 -0.215 1.00 0.00 H new ATOM 0 HG21 THR A 767 -1.218 -10.294 0.849 1.00 0.00 H new ATOM 0 HG22 THR A 767 -1.158 -9.087 2.155 1.00 0.00 H new ATOM 0 HG23 THR A 767 -0.901 -8.585 0.467 1.00 0.00 H new ATOM 799 N PHE A 768 0.143 -6.864 3.209 1.00 0.00 N ATOM 800 CA PHE A 768 -0.460 -6.375 4.433 1.00 0.00 C ATOM 801 C PHE A 768 -1.950 -6.156 4.197 1.00 0.00 C ATOM 802 O PHE A 768 -2.349 -5.621 3.161 1.00 0.00 O ATOM 803 CB PHE A 768 0.203 -5.065 4.865 1.00 0.00 C ATOM 804 CG PHE A 768 0.101 -4.772 6.335 1.00 0.00 C ATOM 805 CD1 PHE A 768 -1.134 -4.638 6.933 1.00 0.00 C ATOM 806 CD2 PHE A 768 1.238 -4.618 7.112 1.00 0.00 C ATOM 807 CE1 PHE A 768 -1.243 -4.359 8.282 1.00 0.00 C ATOM 808 CE2 PHE A 768 1.139 -4.340 8.462 1.00 0.00 C ATOM 809 CZ PHE A 768 -0.105 -4.210 9.048 1.00 0.00 C ATOM 0 H PHE A 768 -0.094 -6.322 2.378 1.00 0.00 H new ATOM 0 HA PHE A 768 -0.318 -7.108 5.227 1.00 0.00 H new ATOM 0 HB2 PHE A 768 1.256 -5.096 4.585 1.00 0.00 H new ATOM 0 HB3 PHE A 768 -0.250 -4.243 4.311 1.00 0.00 H new ATOM 0 HD1 PHE A 768 -2.029 -4.753 6.339 1.00 0.00 H new ATOM 0 HD2 PHE A 768 2.213 -4.716 6.657 1.00 0.00 H new ATOM 0 HE1 PHE A 768 -2.218 -4.258 8.736 1.00 0.00 H new ATOM 0 HE2 PHE A 768 2.032 -4.225 9.058 1.00 0.00 H new ATOM 0 HZ PHE A 768 -0.187 -3.992 10.103 1.00 0.00 H new ATOM 819 N GLU A 769 -2.756 -6.580 5.150 1.00 0.00 N ATOM 820 CA GLU A 769 -4.199 -6.489 5.039 1.00 0.00 C ATOM 821 C GLU A 769 -4.801 -5.824 6.275 1.00 0.00 C ATOM 822 O GLU A 769 -4.662 -6.325 7.392 1.00 0.00 O ATOM 823 CB GLU A 769 -4.771 -7.891 4.860 1.00 0.00 C ATOM 824 CG GLU A 769 -6.287 -7.933 4.746 1.00 0.00 C ATOM 825 CD GLU A 769 -6.834 -9.346 4.775 1.00 0.00 C ATOM 826 OE1 GLU A 769 -7.078 -9.869 5.883 1.00 0.00 O ATOM 827 OE2 GLU A 769 -7.025 -9.943 3.695 1.00 0.00 O ATOM 0 H GLU A 769 -2.430 -6.997 6.022 1.00 0.00 H new ATOM 0 HA GLU A 769 -4.453 -5.874 4.175 1.00 0.00 H new ATOM 0 HB2 GLU A 769 -4.338 -8.337 3.965 1.00 0.00 H new ATOM 0 HB3 GLU A 769 -4.464 -8.508 5.704 1.00 0.00 H new ATOM 0 HG2 GLU A 769 -6.725 -7.361 5.564 1.00 0.00 H new ATOM 0 HG3 GLU A 769 -6.592 -7.448 3.818 1.00 0.00 H new ATOM 834 N ILE A 770 -5.460 -4.693 6.068 1.00 0.00 N ATOM 835 CA ILE A 770 -6.117 -3.973 7.142 1.00 0.00 C ATOM 836 C ILE A 770 -7.615 -3.963 6.894 1.00 0.00 C ATOM 837 O ILE A 770 -8.086 -3.368 5.927 1.00 0.00 O ATOM 838 CB ILE A 770 -5.592 -2.527 7.229 1.00 0.00 C ATOM 839 CG1 ILE A 770 -4.105 -2.532 7.566 1.00 0.00 C ATOM 840 CG2 ILE A 770 -6.363 -1.733 8.269 1.00 0.00 C ATOM 841 CD1 ILE A 770 -3.323 -1.485 6.819 1.00 0.00 C ATOM 0 H ILE A 770 -5.552 -4.252 5.153 1.00 0.00 H new ATOM 0 HA ILE A 770 -5.902 -4.473 8.086 1.00 0.00 H new ATOM 0 HB ILE A 770 -5.737 -2.049 6.260 1.00 0.00 H new ATOM 0 HG12 ILE A 770 -3.982 -2.373 8.637 1.00 0.00 H new ATOM 0 HG13 ILE A 770 -3.691 -3.515 7.340 1.00 0.00 H new ATOM 0 HG21 ILE A 770 -5.974 -0.716 8.312 1.00 0.00 H new ATOM 0 HG22 ILE A 770 -7.418 -1.707 7.998 1.00 0.00 H new ATOM 0 HG23 ILE A 770 -6.251 -2.206 9.245 1.00 0.00 H new ATOM 0 HD11 ILE A 770 -2.273 -1.543 7.105 1.00 0.00 H new ATOM 0 HD12 ILE A 770 -3.417 -1.656 5.747 1.00 0.00 H new ATOM 0 HD13 ILE A 770 -3.712 -0.497 7.064 1.00 0.00 H new ATOM 853 N LYS A 771 -8.362 -4.655 7.735 1.00 0.00 N ATOM 854 CA LYS A 771 -9.787 -4.772 7.539 1.00 0.00 C ATOM 855 C LYS A 771 -10.522 -3.563 8.074 1.00 0.00 C ATOM 856 O LYS A 771 -10.081 -2.910 9.024 1.00 0.00 O ATOM 857 CB LYS A 771 -10.316 -6.036 8.199 1.00 0.00 C ATOM 858 CG LYS A 771 -9.227 -7.052 8.462 1.00 0.00 C ATOM 859 CD LYS A 771 -9.775 -8.456 8.605 1.00 0.00 C ATOM 860 CE LYS A 771 -10.269 -8.997 7.272 1.00 0.00 C ATOM 861 NZ LYS A 771 -10.661 -10.429 7.353 1.00 0.00 N ATOM 0 H LYS A 771 -8.003 -5.141 8.556 1.00 0.00 H new ATOM 0 HA LYS A 771 -9.966 -4.829 6.465 1.00 0.00 H new ATOM 0 HB2 LYS A 771 -10.800 -5.775 9.140 1.00 0.00 H new ATOM 0 HB3 LYS A 771 -11.079 -6.483 7.561 1.00 0.00 H new ATOM 0 HG2 LYS A 771 -8.505 -7.027 7.646 1.00 0.00 H new ATOM 0 HG3 LYS A 771 -8.690 -6.779 9.371 1.00 0.00 H new ATOM 0 HD2 LYS A 771 -9.000 -9.112 9.001 1.00 0.00 H new ATOM 0 HD3 LYS A 771 -10.593 -8.457 9.326 1.00 0.00 H new ATOM 0 HE2 LYS A 771 -11.123 -8.408 6.937 1.00 0.00 H new ATOM 0 HE3 LYS A 771 -9.487 -8.879 6.522 1.00 0.00 H new ATOM 0 HZ1 LYS A 771 -10.990 -10.752 6.421 1.00 0.00 H new ATOM 0 HZ2 LYS A 771 -9.841 -10.997 7.646 1.00 0.00 H new ATOM 0 HZ3 LYS A 771 -11.426 -10.541 8.048 1.00 0.00 H new ATOM 875 N GLU A 772 -11.645 -3.293 7.437 1.00 0.00 N ATOM 876 CA GLU A 772 -12.561 -2.229 7.825 1.00 0.00 C ATOM 877 C GLU A 772 -11.883 -0.866 7.881 1.00 0.00 C ATOM 878 O GLU A 772 -12.041 -0.142 8.866 1.00 0.00 O ATOM 879 CB GLU A 772 -13.192 -2.521 9.186 1.00 0.00 C ATOM 880 CG GLU A 772 -13.546 -3.979 9.407 1.00 0.00 C ATOM 881 CD GLU A 772 -14.438 -4.179 10.611 1.00 0.00 C ATOM 882 OE1 GLU A 772 -15.505 -3.534 10.678 1.00 0.00 O ATOM 883 OE2 GLU A 772 -14.077 -4.983 11.495 1.00 0.00 O ATOM 0 H GLU A 772 -11.956 -3.816 6.618 1.00 0.00 H new ATOM 0 HA GLU A 772 -13.332 -2.198 7.055 1.00 0.00 H new ATOM 0 HB2 GLU A 772 -12.503 -2.203 9.969 1.00 0.00 H new ATOM 0 HB3 GLU A 772 -14.095 -1.919 9.292 1.00 0.00 H new ATOM 0 HG2 GLU A 772 -14.046 -4.367 8.519 1.00 0.00 H new ATOM 0 HG3 GLU A 772 -12.631 -4.557 9.536 1.00 0.00 H new ATOM 890 N ILE A 773 -11.131 -0.499 6.851 1.00 0.00 N ATOM 891 CA ILE A 773 -10.595 0.845 6.807 1.00 0.00 C ATOM 892 C ILE A 773 -11.733 1.785 6.451 1.00 0.00 C ATOM 893 O ILE A 773 -12.392 1.633 5.426 1.00 0.00 O ATOM 894 CB ILE A 773 -9.363 1.010 5.851 1.00 0.00 C ATOM 895 CG1 ILE A 773 -9.739 1.513 4.450 1.00 0.00 C ATOM 896 CG2 ILE A 773 -8.586 -0.295 5.732 1.00 0.00 C ATOM 897 CD1 ILE A 773 -9.861 3.030 4.346 1.00 0.00 C ATOM 0 H ILE A 773 -10.887 -1.095 6.060 1.00 0.00 H new ATOM 0 HA ILE A 773 -10.192 1.091 7.789 1.00 0.00 H new ATOM 0 HB ILE A 773 -8.736 1.774 6.310 1.00 0.00 H new ATOM 0 HG12 ILE A 773 -8.988 1.170 3.739 1.00 0.00 H new ATOM 0 HG13 ILE A 773 -10.687 1.062 4.156 1.00 0.00 H new ATOM 0 HG21 ILE A 773 -7.737 -0.153 5.063 1.00 0.00 H new ATOM 0 HG22 ILE A 773 -8.227 -0.596 6.716 1.00 0.00 H new ATOM 0 HG23 ILE A 773 -9.238 -1.071 5.331 1.00 0.00 H new ATOM 0 HD11 ILE A 773 -10.129 3.304 3.326 1.00 0.00 H new ATOM 0 HD12 ILE A 773 -10.633 3.381 5.031 1.00 0.00 H new ATOM 0 HD13 ILE A 773 -8.908 3.490 4.607 1.00 0.00 H new ATOM 909 N LYS A 774 -12.009 2.701 7.351 1.00 0.00 N ATOM 910 CA LYS A 774 -13.091 3.646 7.180 1.00 0.00 C ATOM 911 C LYS A 774 -12.498 5.042 7.142 1.00 0.00 C ATOM 912 O LYS A 774 -13.113 6.021 7.562 1.00 0.00 O ATOM 913 CB LYS A 774 -14.079 3.480 8.339 1.00 0.00 C ATOM 914 CG LYS A 774 -14.448 2.021 8.576 1.00 0.00 C ATOM 915 CD LYS A 774 -15.209 1.810 9.873 1.00 0.00 C ATOM 916 CE LYS A 774 -15.348 0.325 10.182 1.00 0.00 C ATOM 917 NZ LYS A 774 -16.010 0.082 11.490 1.00 0.00 N ATOM 0 H LYS A 774 -11.490 2.813 8.222 1.00 0.00 H new ATOM 0 HA LYS A 774 -13.632 3.472 6.250 1.00 0.00 H new ATOM 0 HB2 LYS A 774 -13.643 3.895 9.248 1.00 0.00 H new ATOM 0 HB3 LYS A 774 -14.983 4.052 8.129 1.00 0.00 H new ATOM 0 HG2 LYS A 774 -15.053 1.664 7.743 1.00 0.00 H new ATOM 0 HG3 LYS A 774 -13.539 1.419 8.591 1.00 0.00 H new ATOM 0 HD2 LYS A 774 -14.689 2.309 10.691 1.00 0.00 H new ATOM 0 HD3 LYS A 774 -16.197 2.265 9.799 1.00 0.00 H new ATOM 0 HE2 LYS A 774 -15.923 -0.156 9.391 1.00 0.00 H new ATOM 0 HE3 LYS A 774 -14.361 -0.137 10.185 1.00 0.00 H new ATOM 0 HZ1 LYS A 774 -16.083 -0.942 11.657 1.00 0.00 H new ATOM 0 HZ2 LYS A 774 -15.449 0.518 12.249 1.00 0.00 H new ATOM 0 HZ3 LYS A 774 -16.962 0.500 11.480 1.00 0.00 H new ATOM 931 N THR A 775 -11.279 5.105 6.625 1.00 0.00 N ATOM 932 CA THR A 775 -10.491 6.324 6.644 1.00 0.00 C ATOM 933 C THR A 775 -10.613 7.123 5.342 1.00 0.00 C ATOM 934 O THR A 775 -11.160 8.225 5.340 1.00 0.00 O ATOM 935 CB THR A 775 -9.010 6.008 6.892 1.00 0.00 C ATOM 936 OG1 THR A 775 -8.890 4.936 7.831 1.00 0.00 O ATOM 937 CG2 THR A 775 -8.287 7.231 7.427 1.00 0.00 C ATOM 0 H THR A 775 -10.812 4.314 6.182 1.00 0.00 H new ATOM 0 HA THR A 775 -10.888 6.932 7.457 1.00 0.00 H new ATOM 0 HB THR A 775 -8.557 5.715 5.945 1.00 0.00 H new ATOM 0 HG1 THR A 775 -7.942 4.739 7.983 1.00 0.00 H new ATOM 0 HG21 THR A 775 -7.238 6.988 7.597 1.00 0.00 H new ATOM 0 HG22 THR A 775 -8.359 8.042 6.702 1.00 0.00 H new ATOM 0 HG23 THR A 775 -8.744 7.542 8.366 1.00 0.00 H new ATOM 945 N ASN A 776 -10.031 6.576 4.264 1.00 0.00 N ATOM 946 CA ASN A 776 -9.987 7.222 2.937 1.00 0.00 C ATOM 947 C ASN A 776 -8.840 8.218 2.866 1.00 0.00 C ATOM 948 O ASN A 776 -8.659 8.910 1.867 1.00 0.00 O ATOM 949 CB ASN A 776 -11.315 7.897 2.561 1.00 0.00 C ATOM 950 CG ASN A 776 -12.309 6.941 1.928 1.00 0.00 C ATOM 951 OD1 ASN A 776 -13.199 7.356 1.185 1.00 0.00 O ATOM 952 ND2 ASN A 776 -12.152 5.656 2.191 1.00 0.00 N ATOM 0 H ASN A 776 -9.573 5.665 4.286 1.00 0.00 H new ATOM 0 HA ASN A 776 -9.819 6.431 2.206 1.00 0.00 H new ATOM 0 HB2 ASN A 776 -11.759 8.335 3.455 1.00 0.00 H new ATOM 0 HB3 ASN A 776 -11.117 8.716 1.870 1.00 0.00 H new ATOM 0 HD21 ASN A 776 -12.780 4.969 1.773 1.00 0.00 H new ATOM 0 HD22 ASN A 776 -11.403 5.350 2.812 1.00 0.00 H new ATOM 959 N GLU A 777 -8.061 8.253 3.936 1.00 0.00 N ATOM 960 CA GLU A 777 -6.858 9.068 4.025 1.00 0.00 C ATOM 961 C GLU A 777 -5.973 8.538 5.138 1.00 0.00 C ATOM 962 O GLU A 777 -6.030 9.014 6.271 1.00 0.00 O ATOM 963 CB GLU A 777 -7.195 10.533 4.294 1.00 0.00 C ATOM 964 CG GLU A 777 -7.337 11.377 3.041 1.00 0.00 C ATOM 965 CD GLU A 777 -7.239 12.860 3.328 1.00 0.00 C ATOM 966 OE1 GLU A 777 -6.117 13.407 3.251 1.00 0.00 O ATOM 967 OE2 GLU A 777 -8.273 13.485 3.639 1.00 0.00 O ATOM 0 H GLU A 777 -8.248 7.709 4.778 1.00 0.00 H new ATOM 0 HA GLU A 777 -6.336 9.011 3.070 1.00 0.00 H new ATOM 0 HB2 GLU A 777 -8.125 10.583 4.860 1.00 0.00 H new ATOM 0 HB3 GLU A 777 -6.416 10.964 4.923 1.00 0.00 H new ATOM 0 HG2 GLU A 777 -6.562 11.096 2.328 1.00 0.00 H new ATOM 0 HG3 GLU A 777 -8.296 11.164 2.570 1.00 0.00 H new ATOM 974 N TYR A 778 -5.153 7.561 4.813 1.00 0.00 N ATOM 975 CA TYR A 778 -4.379 6.855 5.822 1.00 0.00 C ATOM 976 C TYR A 778 -2.953 6.660 5.348 1.00 0.00 C ATOM 977 O TYR A 778 -2.722 6.151 4.253 1.00 0.00 O ATOM 978 CB TYR A 778 -5.027 5.506 6.146 1.00 0.00 C ATOM 979 CG TYR A 778 -4.189 4.616 7.039 1.00 0.00 C ATOM 980 CD1 TYR A 778 -4.183 4.787 8.417 1.00 0.00 C ATOM 981 CD2 TYR A 778 -3.401 3.605 6.500 1.00 0.00 C ATOM 982 CE1 TYR A 778 -3.413 3.978 9.232 1.00 0.00 C ATOM 983 CE2 TYR A 778 -2.631 2.794 7.308 1.00 0.00 C ATOM 984 CZ TYR A 778 -2.640 2.984 8.671 1.00 0.00 C ATOM 985 OH TYR A 778 -1.867 2.180 9.476 1.00 0.00 O ATOM 0 H TYR A 778 -5.002 7.235 3.858 1.00 0.00 H new ATOM 0 HA TYR A 778 -4.363 7.455 6.732 1.00 0.00 H new ATOM 0 HB2 TYR A 778 -5.989 5.683 6.628 1.00 0.00 H new ATOM 0 HB3 TYR A 778 -5.230 4.979 5.214 1.00 0.00 H new ATOM 0 HD1 TYR A 778 -4.789 5.564 8.859 1.00 0.00 H new ATOM 0 HD2 TYR A 778 -3.392 3.452 5.431 1.00 0.00 H new ATOM 0 HE1 TYR A 778 -3.417 4.124 10.302 1.00 0.00 H new ATOM 0 HE2 TYR A 778 -2.024 2.014 6.873 1.00 0.00 H new ATOM 0 HH TYR A 778 -1.385 1.530 8.923 1.00 0.00 H new ATOM 995 N VAL A 779 -1.991 7.071 6.154 1.00 0.00 N ATOM 996 CA VAL A 779 -0.613 6.901 5.767 1.00 0.00 C ATOM 997 C VAL A 779 -0.071 5.577 6.284 1.00 0.00 C ATOM 998 O VAL A 779 -0.184 5.230 7.466 1.00 0.00 O ATOM 999 CB VAL A 779 0.287 8.110 6.124 1.00 0.00 C ATOM 1000 CG1 VAL A 779 -0.533 9.320 6.509 1.00 0.00 C ATOM 1001 CG2 VAL A 779 1.313 7.745 7.149 1.00 0.00 C ATOM 0 H VAL A 779 -2.138 7.515 7.060 1.00 0.00 H new ATOM 0 HA VAL A 779 -0.589 6.864 4.678 1.00 0.00 H new ATOM 0 HB VAL A 779 0.839 8.393 5.228 1.00 0.00 H new ATOM 0 HG11 VAL A 779 0.133 10.148 6.753 1.00 0.00 H new ATOM 0 HG12 VAL A 779 -1.176 9.604 5.676 1.00 0.00 H new ATOM 0 HG13 VAL A 779 -1.148 9.082 7.377 1.00 0.00 H new ATOM 0 HG21 VAL A 779 1.927 8.617 7.376 1.00 0.00 H new ATOM 0 HG22 VAL A 779 0.815 7.406 8.057 1.00 0.00 H new ATOM 0 HG23 VAL A 779 1.946 6.946 6.762 1.00 0.00 H new ATOM 1011 N ILE A 780 0.467 4.828 5.347 1.00 0.00 N ATOM 1012 CA ILE A 780 0.900 3.466 5.564 1.00 0.00 C ATOM 1013 C ILE A 780 2.349 3.423 6.031 1.00 0.00 C ATOM 1014 O ILE A 780 3.166 4.243 5.622 1.00 0.00 O ATOM 1015 CB ILE A 780 0.748 2.668 4.250 1.00 0.00 C ATOM 1016 CG1 ILE A 780 -0.718 2.534 3.856 1.00 0.00 C ATOM 1017 CG2 ILE A 780 1.392 1.297 4.342 1.00 0.00 C ATOM 1018 CD1 ILE A 780 -0.901 1.797 2.551 1.00 0.00 C ATOM 0 H ILE A 780 0.619 5.156 4.393 1.00 0.00 H new ATOM 0 HA ILE A 780 0.280 3.021 6.342 1.00 0.00 H new ATOM 0 HB ILE A 780 1.269 3.231 3.476 1.00 0.00 H new ATOM 0 HG12 ILE A 780 -1.256 2.009 4.645 1.00 0.00 H new ATOM 0 HG13 ILE A 780 -1.161 3.527 3.774 1.00 0.00 H new ATOM 0 HG21 ILE A 780 1.262 0.770 3.397 1.00 0.00 H new ATOM 0 HG22 ILE A 780 2.456 1.408 4.552 1.00 0.00 H new ATOM 0 HG23 ILE A 780 0.922 0.727 5.143 1.00 0.00 H new ATOM 0 HD11 ILE A 780 -1.963 1.730 2.317 1.00 0.00 H new ATOM 0 HD12 ILE A 780 -0.388 2.335 1.754 1.00 0.00 H new ATOM 0 HD13 ILE A 780 -0.484 0.794 2.638 1.00 0.00 H new ATOM 1030 N LYS A 781 2.657 2.470 6.894 1.00 0.00 N ATOM 1031 CA LYS A 781 4.016 2.267 7.348 1.00 0.00 C ATOM 1032 C LYS A 781 4.518 0.942 6.822 1.00 0.00 C ATOM 1033 O LYS A 781 3.983 -0.120 7.145 1.00 0.00 O ATOM 1034 CB LYS A 781 4.123 2.310 8.879 1.00 0.00 C ATOM 1035 CG LYS A 781 4.171 3.717 9.469 1.00 0.00 C ATOM 1036 CD LYS A 781 2.843 4.455 9.344 1.00 0.00 C ATOM 1037 CE LYS A 781 1.740 3.760 10.127 1.00 0.00 C ATOM 1038 NZ LYS A 781 0.457 4.510 10.076 1.00 0.00 N ATOM 0 H LYS A 781 1.978 1.823 7.294 1.00 0.00 H new ATOM 0 HA LYS A 781 4.632 3.080 6.963 1.00 0.00 H new ATOM 0 HB2 LYS A 781 3.272 1.779 9.305 1.00 0.00 H new ATOM 0 HB3 LYS A 781 5.020 1.771 9.184 1.00 0.00 H new ATOM 0 HG2 LYS A 781 4.450 3.656 10.521 1.00 0.00 H new ATOM 0 HG3 LYS A 781 4.949 4.291 8.966 1.00 0.00 H new ATOM 0 HD2 LYS A 781 2.958 5.477 9.706 1.00 0.00 H new ATOM 0 HD3 LYS A 781 2.559 4.519 8.294 1.00 0.00 H new ATOM 0 HE2 LYS A 781 1.589 2.757 9.727 1.00 0.00 H new ATOM 0 HE3 LYS A 781 2.051 3.645 11.165 1.00 0.00 H new ATOM 0 HZ1 LYS A 781 -0.331 3.863 10.281 1.00 0.00 H new ATOM 0 HZ2 LYS A 781 0.472 5.272 10.783 1.00 0.00 H new ATOM 0 HZ3 LYS A 781 0.332 4.919 9.128 1.00 0.00 H new ATOM 1052 N THR A 782 5.517 1.018 5.979 1.00 0.00 N ATOM 1053 CA THR A 782 6.083 -0.155 5.361 1.00 0.00 C ATOM 1054 C THR A 782 7.205 -0.725 6.217 1.00 0.00 C ATOM 1055 O THR A 782 8.005 0.029 6.787 1.00 0.00 O ATOM 1056 CB THR A 782 6.601 0.184 3.965 1.00 0.00 C ATOM 1057 OG1 THR A 782 7.417 1.346 4.029 1.00 0.00 O ATOM 1058 CG2 THR A 782 5.449 0.437 3.038 1.00 0.00 C ATOM 0 H THR A 782 5.961 1.894 5.702 1.00 0.00 H new ATOM 0 HA THR A 782 5.302 -0.910 5.273 1.00 0.00 H new ATOM 0 HB THR A 782 7.187 -0.655 3.590 1.00 0.00 H new ATOM 0 HG1 THR A 782 6.957 2.093 3.593 1.00 0.00 H new ATOM 0 HG21 THR A 782 5.827 0.678 2.045 1.00 0.00 H new ATOM 0 HG22 THR A 782 4.825 -0.455 2.982 1.00 0.00 H new ATOM 0 HG23 THR A 782 4.857 1.272 3.413 1.00 0.00 H new ATOM 1066 N PRO A 783 7.273 -2.068 6.303 1.00 0.00 N ATOM 1067 CA PRO A 783 8.216 -2.782 7.178 1.00 0.00 C ATOM 1068 C PRO A 783 9.667 -2.432 6.885 1.00 0.00 C ATOM 1069 O PRO A 783 10.004 -2.011 5.782 1.00 0.00 O ATOM 1070 CB PRO A 783 7.959 -4.257 6.858 1.00 0.00 C ATOM 1071 CG PRO A 783 6.595 -4.292 6.269 1.00 0.00 C ATOM 1072 CD PRO A 783 6.444 -3.002 5.525 1.00 0.00 C ATOM 0 HA PRO A 783 8.063 -2.521 8.225 1.00 0.00 H new ATOM 0 HB2 PRO A 783 8.701 -4.644 6.159 1.00 0.00 H new ATOM 0 HB3 PRO A 783 8.017 -4.871 7.756 1.00 0.00 H new ATOM 0 HG2 PRO A 783 6.478 -5.146 5.601 1.00 0.00 H new ATOM 0 HG3 PRO A 783 5.835 -4.388 7.045 1.00 0.00 H new ATOM 0 HD2 PRO A 783 6.792 -3.088 4.495 1.00 0.00 H new ATOM 0 HD3 PRO A 783 5.404 -2.680 5.484 1.00 0.00 H new ATOM 1080 N VAL A 784 10.518 -2.625 7.881 1.00 0.00 N ATOM 1081 CA VAL A 784 11.922 -2.271 7.777 1.00 0.00 C ATOM 1082 C VAL A 784 12.616 -3.085 6.685 1.00 0.00 C ATOM 1083 O VAL A 784 12.414 -4.295 6.564 1.00 0.00 O ATOM 1084 CB VAL A 784 12.644 -2.472 9.129 1.00 0.00 C ATOM 1085 CG1 VAL A 784 12.632 -3.934 9.536 1.00 0.00 C ATOM 1086 CG2 VAL A 784 14.064 -1.937 9.070 1.00 0.00 C ATOM 0 H VAL A 784 10.255 -3.030 8.780 1.00 0.00 H new ATOM 0 HA VAL A 784 11.976 -1.216 7.507 1.00 0.00 H new ATOM 0 HB VAL A 784 12.103 -1.906 9.888 1.00 0.00 H new ATOM 0 HG11 VAL A 784 13.146 -4.050 10.490 1.00 0.00 H new ATOM 0 HG12 VAL A 784 11.602 -4.276 9.635 1.00 0.00 H new ATOM 0 HG13 VAL A 784 13.140 -4.527 8.776 1.00 0.00 H new ATOM 0 HG21 VAL A 784 14.551 -2.090 10.033 1.00 0.00 H new ATOM 0 HG22 VAL A 784 14.620 -2.464 8.295 1.00 0.00 H new ATOM 0 HG23 VAL A 784 14.042 -0.872 8.840 1.00 0.00 H new ATOM 1096 N PHE A 785 13.415 -2.408 5.881 1.00 0.00 N ATOM 1097 CA PHE A 785 14.146 -3.057 4.812 1.00 0.00 C ATOM 1098 C PHE A 785 15.612 -3.187 5.197 1.00 0.00 C ATOM 1099 O PHE A 785 16.374 -2.220 5.138 1.00 0.00 O ATOM 1100 CB PHE A 785 14.008 -2.279 3.506 1.00 0.00 C ATOM 1101 CG PHE A 785 12.583 -2.065 3.086 1.00 0.00 C ATOM 1102 CD1 PHE A 785 11.889 -0.968 3.543 1.00 0.00 C ATOM 1103 CD2 PHE A 785 11.947 -2.949 2.234 1.00 0.00 C ATOM 1104 CE1 PHE A 785 10.580 -0.746 3.163 1.00 0.00 C ATOM 1105 CE2 PHE A 785 10.636 -2.739 1.849 1.00 0.00 C ATOM 1106 CZ PHE A 785 9.952 -1.634 2.314 1.00 0.00 C ATOM 0 H PHE A 785 13.574 -1.403 5.950 1.00 0.00 H new ATOM 0 HA PHE A 785 13.726 -4.051 4.658 1.00 0.00 H new ATOM 0 HB2 PHE A 785 14.496 -1.310 3.616 1.00 0.00 H new ATOM 0 HB3 PHE A 785 14.535 -2.814 2.716 1.00 0.00 H new ATOM 0 HD1 PHE A 785 12.375 -0.270 4.209 1.00 0.00 H new ATOM 0 HD2 PHE A 785 12.480 -3.813 1.865 1.00 0.00 H new ATOM 0 HE1 PHE A 785 10.049 0.120 3.529 1.00 0.00 H new ATOM 0 HE2 PHE A 785 10.148 -3.438 1.186 1.00 0.00 H new ATOM 0 HZ PHE A 785 8.928 -1.465 2.014 1.00 0.00 H new ATOM 1116 N THR A 786 16.002 -4.386 5.593 1.00 0.00 N ATOM 1117 CA THR A 786 17.346 -4.637 6.099 1.00 0.00 C ATOM 1118 C THR A 786 18.326 -4.892 4.966 1.00 0.00 C ATOM 1119 O THR A 786 19.402 -5.458 5.169 1.00 0.00 O ATOM 1120 CB THR A 786 17.330 -5.835 7.050 1.00 0.00 C ATOM 1121 OG1 THR A 786 16.890 -7.008 6.353 1.00 0.00 O ATOM 1122 CG2 THR A 786 16.390 -5.553 8.200 1.00 0.00 C ATOM 0 H THR A 786 15.402 -5.211 5.574 1.00 0.00 H new ATOM 0 HA THR A 786 17.674 -3.748 6.637 1.00 0.00 H new ATOM 0 HB THR A 786 18.338 -6.001 7.431 1.00 0.00 H new ATOM 0 HG1 THR A 786 16.884 -7.771 6.968 1.00 0.00 H new ATOM 0 HG21 THR A 786 16.378 -6.406 8.878 1.00 0.00 H new ATOM 0 HG22 THR A 786 16.728 -4.667 8.738 1.00 0.00 H new ATOM 0 HG23 THR A 786 15.385 -5.382 7.815 1.00 0.00 H new ATOM 1130 N THR A 787 17.940 -4.466 3.778 1.00 0.00 N ATOM 1131 CA THR A 787 18.764 -4.631 2.589 1.00 0.00 C ATOM 1132 C THR A 787 18.359 -3.652 1.499 1.00 0.00 C ATOM 1133 O THR A 787 17.203 -3.633 1.068 1.00 0.00 O ATOM 1134 CB THR A 787 18.684 -6.065 2.031 1.00 0.00 C ATOM 1135 OG1 THR A 787 17.526 -6.740 2.544 1.00 0.00 O ATOM 1136 CG2 THR A 787 19.938 -6.854 2.374 1.00 0.00 C ATOM 0 H THR A 787 17.050 -3.997 3.607 1.00 0.00 H new ATOM 0 HA THR A 787 19.791 -4.430 2.894 1.00 0.00 H new ATOM 0 HB THR A 787 18.604 -5.998 0.946 1.00 0.00 H new ATOM 0 HG1 THR A 787 17.489 -7.649 2.179 1.00 0.00 H new ATOM 0 HG21 THR A 787 19.856 -7.862 1.969 1.00 0.00 H new ATOM 0 HG22 THR A 787 20.808 -6.359 1.943 1.00 0.00 H new ATOM 0 HG23 THR A 787 20.050 -6.906 3.457 1.00 0.00 H new ATOM 1144 N GLY A 788 19.306 -2.798 1.117 1.00 0.00 N ATOM 1145 CA GLY A 788 19.141 -1.951 -0.045 1.00 0.00 C ATOM 1146 C GLY A 788 18.606 -2.686 -1.261 1.00 0.00 C ATOM 1147 O GLY A 788 19.255 -3.586 -1.799 1.00 0.00 O ATOM 0 H GLY A 788 20.196 -2.680 1.602 1.00 0.00 H new ATOM 0 HA2 GLY A 788 18.462 -1.135 0.204 1.00 0.00 H new ATOM 0 HA3 GLY A 788 20.102 -1.501 -0.296 1.00 0.00 H new ATOM 1151 N GLY A 789 17.421 -2.285 -1.685 1.00 0.00 N ATOM 1152 CA GLY A 789 16.798 -2.848 -2.864 1.00 0.00 C ATOM 1153 C GLY A 789 15.782 -1.891 -3.455 1.00 0.00 C ATOM 1154 O GLY A 789 15.794 -0.700 -3.143 1.00 0.00 O ATOM 0 H GLY A 789 16.868 -1.563 -1.223 1.00 0.00 H new ATOM 0 HA2 GLY A 789 17.561 -3.078 -3.608 1.00 0.00 H new ATOM 0 HA3 GLY A 789 16.310 -3.788 -2.607 1.00 0.00 H new ATOM 1158 N ASP A 790 14.898 -2.396 -4.294 1.00 0.00 N ATOM 1159 CA ASP A 790 13.869 -1.569 -4.909 1.00 0.00 C ATOM 1160 C ASP A 790 12.528 -2.242 -4.740 1.00 0.00 C ATOM 1161 O ASP A 790 12.346 -3.389 -5.150 1.00 0.00 O ATOM 1162 CB ASP A 790 14.165 -1.373 -6.389 1.00 0.00 C ATOM 1163 CG ASP A 790 13.259 -0.363 -7.061 1.00 0.00 C ATOM 1164 OD1 ASP A 790 13.631 0.828 -7.117 1.00 0.00 O ATOM 1165 OD2 ASP A 790 12.198 -0.763 -7.575 1.00 0.00 O ATOM 0 H ASP A 790 14.869 -3.378 -4.568 1.00 0.00 H new ATOM 0 HA ASP A 790 13.855 -0.592 -4.425 1.00 0.00 H new ATOM 0 HB2 ASP A 790 15.200 -1.053 -6.504 1.00 0.00 H new ATOM 0 HB3 ASP A 790 14.069 -2.331 -6.900 1.00 0.00 H new ATOM 1170 N TYR A 791 11.602 -1.552 -4.114 1.00 0.00 N ATOM 1171 CA TYR A 791 10.318 -2.139 -3.802 1.00 0.00 C ATOM 1172 C TYR A 791 9.193 -1.252 -4.310 1.00 0.00 C ATOM 1173 O TYR A 791 9.366 -0.050 -4.454 1.00 0.00 O ATOM 1174 CB TYR A 791 10.180 -2.339 -2.285 1.00 0.00 C ATOM 1175 CG TYR A 791 11.333 -3.091 -1.649 1.00 0.00 C ATOM 1176 CD1 TYR A 791 12.524 -2.442 -1.341 1.00 0.00 C ATOM 1177 CD2 TYR A 791 11.230 -4.444 -1.355 1.00 0.00 C ATOM 1178 CE1 TYR A 791 13.578 -3.120 -0.761 1.00 0.00 C ATOM 1179 CE2 TYR A 791 12.281 -5.130 -0.773 1.00 0.00 C ATOM 1180 CZ TYR A 791 13.453 -4.463 -0.480 1.00 0.00 C ATOM 1181 OH TYR A 791 14.502 -5.141 0.102 1.00 0.00 O ATOM 0 H TYR A 791 11.713 -0.584 -3.811 1.00 0.00 H new ATOM 0 HA TYR A 791 10.252 -3.109 -4.296 1.00 0.00 H new ATOM 0 HB2 TYR A 791 10.090 -1.363 -1.808 1.00 0.00 H new ATOM 0 HB3 TYR A 791 9.254 -2.878 -2.084 1.00 0.00 H new ATOM 0 HD1 TYR A 791 12.626 -1.389 -1.559 1.00 0.00 H new ATOM 0 HD2 TYR A 791 10.315 -4.969 -1.584 1.00 0.00 H new ATOM 0 HE1 TYR A 791 14.496 -2.600 -0.529 1.00 0.00 H new ATOM 0 HE2 TYR A 791 12.185 -6.182 -0.549 1.00 0.00 H new ATOM 0 HH TYR A 791 15.213 -4.507 0.334 1.00 0.00 H new ATOM 1191 N ILE A 792 8.053 -1.849 -4.595 1.00 0.00 N ATOM 1192 CA ILE A 792 6.881 -1.117 -5.008 1.00 0.00 C ATOM 1193 C ILE A 792 5.702 -1.514 -4.142 1.00 0.00 C ATOM 1194 O ILE A 792 5.389 -2.694 -4.010 1.00 0.00 O ATOM 1195 CB ILE A 792 6.560 -1.394 -6.486 1.00 0.00 C ATOM 1196 CG1 ILE A 792 7.608 -0.742 -7.380 1.00 0.00 C ATOM 1197 CG2 ILE A 792 5.174 -0.884 -6.834 1.00 0.00 C ATOM 1198 CD1 ILE A 792 7.832 -1.477 -8.675 1.00 0.00 C ATOM 0 H ILE A 792 7.917 -2.859 -4.545 1.00 0.00 H new ATOM 0 HA ILE A 792 7.076 -0.051 -4.892 1.00 0.00 H new ATOM 0 HB ILE A 792 6.579 -2.471 -6.652 1.00 0.00 H new ATOM 0 HG12 ILE A 792 7.301 0.281 -7.600 1.00 0.00 H new ATOM 0 HG13 ILE A 792 8.551 -0.682 -6.837 1.00 0.00 H new ATOM 0 HG21 ILE A 792 4.964 -1.089 -7.884 1.00 0.00 H new ATOM 0 HG22 ILE A 792 4.434 -1.387 -6.211 1.00 0.00 H new ATOM 0 HG23 ILE A 792 5.127 0.191 -6.657 1.00 0.00 H new ATOM 0 HD11 ILE A 792 8.590 -0.958 -9.262 1.00 0.00 H new ATOM 0 HD12 ILE A 792 8.169 -2.492 -8.464 1.00 0.00 H new ATOM 0 HD13 ILE A 792 6.900 -1.514 -9.238 1.00 0.00 H new ATOM 1210 N LEU A 793 5.075 -0.536 -3.524 1.00 0.00 N ATOM 1211 CA LEU A 793 3.862 -0.788 -2.789 1.00 0.00 C ATOM 1212 C LEU A 793 2.679 -0.603 -3.719 1.00 0.00 C ATOM 1213 O LEU A 793 2.385 0.503 -4.175 1.00 0.00 O ATOM 1214 CB LEU A 793 3.747 0.112 -1.557 1.00 0.00 C ATOM 1215 CG LEU A 793 2.485 -0.103 -0.712 1.00 0.00 C ATOM 1216 CD1 LEU A 793 2.028 -1.528 -0.781 1.00 0.00 C ATOM 1217 CD2 LEU A 793 2.684 0.343 0.724 1.00 0.00 C ATOM 0 H LEU A 793 5.386 0.435 -3.518 1.00 0.00 H new ATOM 0 HA LEU A 793 3.878 -1.814 -2.420 1.00 0.00 H new ATOM 0 HB2 LEU A 793 4.621 -0.049 -0.925 1.00 0.00 H new ATOM 0 HB3 LEU A 793 3.776 1.152 -1.882 1.00 0.00 H new ATOM 0 HG LEU A 793 1.699 0.523 -1.135 1.00 0.00 H new ATOM 0 HD11 LEU A 793 1.132 -1.653 -0.173 1.00 0.00 H new ATOM 0 HD12 LEU A 793 1.804 -1.789 -1.815 1.00 0.00 H new ATOM 0 HD13 LEU A 793 2.815 -2.181 -0.405 1.00 0.00 H new ATOM 0 HD21 LEU A 793 1.767 0.174 1.288 1.00 0.00 H new ATOM 0 HD22 LEU A 793 3.497 -0.228 1.173 1.00 0.00 H new ATOM 0 HD23 LEU A 793 2.932 1.404 0.744 1.00 0.00 H new ATOM 1229 N SER A 794 2.026 -1.707 -3.993 1.00 0.00 N ATOM 1230 CA SER A 794 0.918 -1.754 -4.914 1.00 0.00 C ATOM 1231 C SER A 794 -0.320 -2.215 -4.157 1.00 0.00 C ATOM 1232 O SER A 794 -0.243 -2.550 -2.976 1.00 0.00 O ATOM 1233 CB SER A 794 1.245 -2.719 -6.059 1.00 0.00 C ATOM 1234 OG SER A 794 0.330 -2.590 -7.138 1.00 0.00 O ATOM 0 H SER A 794 2.253 -2.610 -3.576 1.00 0.00 H new ATOM 0 HA SER A 794 0.733 -0.768 -5.340 1.00 0.00 H new ATOM 0 HB2 SER A 794 2.257 -2.529 -6.416 1.00 0.00 H new ATOM 0 HB3 SER A 794 1.226 -3.743 -5.687 1.00 0.00 H new ATOM 0 HG SER A 794 0.572 -3.220 -7.849 1.00 0.00 H new ATOM 1240 N LEU A 795 -1.453 -2.221 -4.826 1.00 0.00 N ATOM 1241 CA LEU A 795 -2.702 -2.605 -4.202 1.00 0.00 C ATOM 1242 C LEU A 795 -3.094 -4.011 -4.635 1.00 0.00 C ATOM 1243 O LEU A 795 -3.145 -4.302 -5.832 1.00 0.00 O ATOM 1244 CB LEU A 795 -3.779 -1.612 -4.611 1.00 0.00 C ATOM 1245 CG LEU A 795 -3.363 -0.147 -4.534 1.00 0.00 C ATOM 1246 CD1 LEU A 795 -4.503 0.736 -4.983 1.00 0.00 C ATOM 1247 CD2 LEU A 795 -2.908 0.213 -3.127 1.00 0.00 C ATOM 0 H LEU A 795 -1.535 -1.962 -5.809 1.00 0.00 H new ATOM 0 HA LEU A 795 -2.589 -2.599 -3.118 1.00 0.00 H new ATOM 0 HB2 LEU A 795 -4.088 -1.834 -5.632 1.00 0.00 H new ATOM 0 HB3 LEU A 795 -4.651 -1.761 -3.974 1.00 0.00 H new ATOM 0 HG LEU A 795 -2.518 0.015 -5.203 1.00 0.00 H new ATOM 0 HD11 LEU A 795 -4.198 1.781 -4.925 1.00 0.00 H new ATOM 0 HD12 LEU A 795 -4.769 0.492 -6.011 1.00 0.00 H new ATOM 0 HD13 LEU A 795 -5.366 0.573 -4.337 1.00 0.00 H new ATOM 0 HD21 LEU A 795 -2.616 1.263 -3.096 1.00 0.00 H new ATOM 0 HD22 LEU A 795 -3.725 0.043 -2.426 1.00 0.00 H new ATOM 0 HD23 LEU A 795 -2.057 -0.409 -2.850 1.00 0.00 H new ATOM 1259 N VAL A 796 -3.377 -4.880 -3.666 1.00 0.00 N ATOM 1260 CA VAL A 796 -3.710 -6.265 -3.969 1.00 0.00 C ATOM 1261 C VAL A 796 -5.194 -6.413 -4.248 1.00 0.00 C ATOM 1262 O VAL A 796 -5.594 -6.815 -5.340 1.00 0.00 O ATOM 1263 CB VAL A 796 -3.317 -7.215 -2.811 1.00 0.00 C ATOM 1264 CG1 VAL A 796 -3.891 -8.610 -3.021 1.00 0.00 C ATOM 1265 CG2 VAL A 796 -1.814 -7.288 -2.700 1.00 0.00 C ATOM 0 H VAL A 796 -3.382 -4.649 -2.672 1.00 0.00 H new ATOM 0 HA VAL A 796 -3.140 -6.541 -4.856 1.00 0.00 H new ATOM 0 HB VAL A 796 -3.733 -6.815 -1.886 1.00 0.00 H new ATOM 0 HG11 VAL A 796 -3.597 -9.253 -2.191 1.00 0.00 H new ATOM 0 HG12 VAL A 796 -4.978 -8.553 -3.068 1.00 0.00 H new ATOM 0 HG13 VAL A 796 -3.509 -9.024 -3.954 1.00 0.00 H new ATOM 0 HG21 VAL A 796 -1.542 -7.957 -1.884 1.00 0.00 H new ATOM 0 HG22 VAL A 796 -1.398 -7.666 -3.634 1.00 0.00 H new ATOM 0 HG23 VAL A 796 -1.415 -6.293 -2.502 1.00 0.00 H new ATOM 1275 N SER A 797 -6.000 -6.016 -3.277 1.00 0.00 N ATOM 1276 CA SER A 797 -7.440 -6.215 -3.322 1.00 0.00 C ATOM 1277 C SER A 797 -8.088 -5.532 -2.125 1.00 0.00 C ATOM 1278 O SER A 797 -7.432 -5.291 -1.115 1.00 0.00 O ATOM 1279 CB SER A 797 -7.777 -7.712 -3.302 1.00 0.00 C ATOM 1280 OG SER A 797 -7.495 -8.332 -4.548 1.00 0.00 O ATOM 0 H SER A 797 -5.674 -5.545 -2.433 1.00 0.00 H new ATOM 0 HA SER A 797 -7.824 -5.781 -4.245 1.00 0.00 H new ATOM 0 HB2 SER A 797 -7.206 -8.203 -2.514 1.00 0.00 H new ATOM 0 HB3 SER A 797 -8.832 -7.844 -3.061 1.00 0.00 H new ATOM 0 HG SER A 797 -7.073 -7.683 -5.148 1.00 0.00 H new ATOM 1286 N ILE A 798 -9.355 -5.197 -2.250 1.00 0.00 N ATOM 1287 CA ILE A 798 -10.098 -4.605 -1.151 1.00 0.00 C ATOM 1288 C ILE A 798 -11.388 -5.386 -0.957 1.00 0.00 C ATOM 1289 O ILE A 798 -11.736 -6.207 -1.794 1.00 0.00 O ATOM 1290 CB ILE A 798 -10.403 -3.116 -1.405 1.00 0.00 C ATOM 1291 CG1 ILE A 798 -10.794 -2.414 -0.106 1.00 0.00 C ATOM 1292 CG2 ILE A 798 -11.517 -2.992 -2.423 1.00 0.00 C ATOM 1293 CD1 ILE A 798 -10.592 -0.916 -0.141 1.00 0.00 C ATOM 0 H ILE A 798 -9.896 -5.324 -3.105 1.00 0.00 H new ATOM 0 HA ILE A 798 -9.490 -4.656 -0.248 1.00 0.00 H new ATOM 0 HB ILE A 798 -9.505 -2.635 -1.793 1.00 0.00 H new ATOM 0 HG12 ILE A 798 -11.841 -2.626 0.110 1.00 0.00 H new ATOM 0 HG13 ILE A 798 -10.209 -2.832 0.713 1.00 0.00 H new ATOM 0 HG21 ILE A 798 -11.731 -1.938 -2.601 1.00 0.00 H new ATOM 0 HG22 ILE A 798 -11.211 -3.463 -3.357 1.00 0.00 H new ATOM 0 HG23 ILE A 798 -12.412 -3.485 -2.045 1.00 0.00 H new ATOM 0 HD11 ILE A 798 -10.891 -0.486 0.815 1.00 0.00 H new ATOM 0 HD12 ILE A 798 -9.541 -0.695 -0.326 1.00 0.00 H new ATOM 0 HD13 ILE A 798 -11.199 -0.486 -0.938 1.00 0.00 H new ATOM 1305 N LYS A 799 -12.083 -5.159 0.136 1.00 0.00 N ATOM 1306 CA LYS A 799 -13.254 -5.956 0.449 1.00 0.00 C ATOM 1307 C LYS A 799 -14.370 -5.098 1.013 1.00 0.00 C ATOM 1308 O LYS A 799 -14.195 -4.426 2.023 1.00 0.00 O ATOM 1309 CB LYS A 799 -12.838 -6.994 1.458 1.00 0.00 C ATOM 1310 CG LYS A 799 -13.724 -8.202 1.605 1.00 0.00 C ATOM 1311 CD LYS A 799 -13.211 -9.022 2.774 1.00 0.00 C ATOM 1312 CE LYS A 799 -14.005 -10.282 2.968 1.00 0.00 C ATOM 1313 NZ LYS A 799 -13.772 -11.269 1.881 1.00 0.00 N ATOM 0 H LYS A 799 -11.862 -4.435 0.820 1.00 0.00 H new ATOM 0 HA LYS A 799 -13.636 -6.424 -0.458 1.00 0.00 H new ATOM 0 HB2 LYS A 799 -11.838 -7.338 1.196 1.00 0.00 H new ATOM 0 HB3 LYS A 799 -12.764 -6.509 2.431 1.00 0.00 H new ATOM 0 HG2 LYS A 799 -14.757 -7.898 1.777 1.00 0.00 H new ATOM 0 HG3 LYS A 799 -13.714 -8.795 0.690 1.00 0.00 H new ATOM 0 HD2 LYS A 799 -12.164 -9.275 2.608 1.00 0.00 H new ATOM 0 HD3 LYS A 799 -13.253 -8.423 3.684 1.00 0.00 H new ATOM 0 HE2 LYS A 799 -13.742 -10.731 3.926 1.00 0.00 H new ATOM 0 HE3 LYS A 799 -15.066 -10.037 3.012 1.00 0.00 H new ATOM 0 HZ1 LYS A 799 -14.246 -12.164 2.117 1.00 0.00 H new ATOM 0 HZ2 LYS A 799 -14.156 -10.899 0.988 1.00 0.00 H new ATOM 0 HZ3 LYS A 799 -12.751 -11.435 1.776 1.00 0.00 H new ATOM 1327 N ASP A 800 -15.503 -5.134 0.345 1.00 0.00 N ATOM 1328 CA ASP A 800 -16.699 -4.424 0.785 1.00 0.00 C ATOM 1329 C ASP A 800 -17.236 -5.081 2.043 1.00 0.00 C ATOM 1330 O ASP A 800 -16.974 -6.258 2.286 1.00 0.00 O ATOM 1331 CB ASP A 800 -17.767 -4.446 -0.318 1.00 0.00 C ATOM 1332 CG ASP A 800 -19.023 -3.673 0.051 1.00 0.00 C ATOM 1333 OD1 ASP A 800 -19.161 -2.506 -0.374 1.00 0.00 O ATOM 1334 OD2 ASP A 800 -19.882 -4.234 0.765 1.00 0.00 O ATOM 0 H ASP A 800 -15.628 -5.656 -0.522 1.00 0.00 H new ATOM 0 HA ASP A 800 -16.444 -3.386 0.997 1.00 0.00 H new ATOM 0 HB2 ASP A 800 -17.345 -4.027 -1.232 1.00 0.00 H new ATOM 0 HB3 ASP A 800 -18.035 -5.480 -0.535 1.00 0.00 H new ATOM 1339 N SER A 801 -17.996 -4.318 2.821 1.00 0.00 N ATOM 1340 CA SER A 801 -18.490 -4.761 4.117 1.00 0.00 C ATOM 1341 C SER A 801 -19.456 -5.945 3.995 1.00 0.00 C ATOM 1342 O SER A 801 -19.809 -6.565 4.999 1.00 0.00 O ATOM 1343 CB SER A 801 -19.172 -3.595 4.835 1.00 0.00 C ATOM 1344 OG SER A 801 -19.557 -3.952 6.152 1.00 0.00 O ATOM 0 H SER A 801 -18.287 -3.373 2.569 1.00 0.00 H new ATOM 0 HA SER A 801 -17.634 -5.103 4.699 1.00 0.00 H new ATOM 0 HB2 SER A 801 -18.495 -2.742 4.871 1.00 0.00 H new ATOM 0 HB3 SER A 801 -20.050 -3.281 4.270 1.00 0.00 H new ATOM 0 HG SER A 801 -19.744 -4.913 6.189 1.00 0.00 H new ATOM 1350 N THR A 802 -19.884 -6.257 2.777 1.00 0.00 N ATOM 1351 CA THR A 802 -20.718 -7.428 2.547 1.00 0.00 C ATOM 1352 C THR A 802 -19.823 -8.627 2.234 1.00 0.00 C ATOM 1353 O THR A 802 -20.288 -9.740 1.977 1.00 0.00 O ATOM 1354 CB THR A 802 -21.725 -7.196 1.394 1.00 0.00 C ATOM 1355 OG1 THR A 802 -22.679 -8.264 1.344 1.00 0.00 O ATOM 1356 CG2 THR A 802 -21.015 -7.092 0.051 1.00 0.00 C ATOM 0 H THR A 802 -19.668 -5.718 1.938 1.00 0.00 H new ATOM 0 HA THR A 802 -21.297 -7.622 3.450 1.00 0.00 H new ATOM 0 HB THR A 802 -22.238 -6.255 1.590 1.00 0.00 H new ATOM 0 HG1 THR A 802 -22.242 -9.105 1.594 1.00 0.00 H new ATOM 0 HG21 THR A 802 -21.750 -6.929 -0.737 1.00 0.00 H new ATOM 0 HG22 THR A 802 -20.315 -6.256 0.073 1.00 0.00 H new ATOM 0 HG23 THR A 802 -20.471 -8.016 -0.145 1.00 0.00 H new ATOM 1364 N GLY A 803 -18.525 -8.377 2.282 1.00 0.00 N ATOM 1365 CA GLY A 803 -17.547 -9.390 1.980 1.00 0.00 C ATOM 1366 C GLY A 803 -17.338 -9.541 0.493 1.00 0.00 C ATOM 1367 O GLY A 803 -17.328 -10.649 -0.032 1.00 0.00 O ATOM 0 H GLY A 803 -18.129 -7.470 2.530 1.00 0.00 H new ATOM 0 HA2 GLY A 803 -16.600 -9.135 2.456 1.00 0.00 H new ATOM 0 HA3 GLY A 803 -17.869 -10.343 2.401 1.00 0.00 H new ATOM 1371 N CYS A 804 -17.180 -8.422 -0.194 1.00 0.00 N ATOM 1372 CA CYS A 804 -16.981 -8.451 -1.634 1.00 0.00 C ATOM 1373 C CYS A 804 -15.587 -7.951 -1.987 1.00 0.00 C ATOM 1374 O CYS A 804 -15.276 -6.781 -1.798 1.00 0.00 O ATOM 1375 CB CYS A 804 -18.038 -7.605 -2.344 1.00 0.00 C ATOM 1376 SG CYS A 804 -18.001 -7.741 -4.146 1.00 0.00 S ATOM 0 H CYS A 804 -17.185 -7.489 0.218 1.00 0.00 H new ATOM 0 HA CYS A 804 -17.081 -9.483 -1.971 1.00 0.00 H new ATOM 0 HB2 CYS A 804 -19.025 -7.901 -1.988 1.00 0.00 H new ATOM 0 HB3 CYS A 804 -17.899 -6.560 -2.066 1.00 0.00 H new ATOM 0 HG CYS A 804 -18.932 -6.992 -4.657 1.00 0.00 H new ATOM 1382 N VAL A 805 -14.751 -8.833 -2.503 1.00 0.00 N ATOM 1383 CA VAL A 805 -13.383 -8.465 -2.830 1.00 0.00 C ATOM 1384 C VAL A 805 -13.314 -7.838 -4.225 1.00 0.00 C ATOM 1385 O VAL A 805 -13.864 -8.366 -5.193 1.00 0.00 O ATOM 1386 CB VAL A 805 -12.434 -9.687 -2.743 1.00 0.00 C ATOM 1387 CG1 VAL A 805 -12.861 -10.785 -3.704 1.00 0.00 C ATOM 1388 CG2 VAL A 805 -10.993 -9.277 -3.002 1.00 0.00 C ATOM 0 H VAL A 805 -14.992 -9.804 -2.704 1.00 0.00 H new ATOM 0 HA VAL A 805 -13.053 -7.729 -2.097 1.00 0.00 H new ATOM 0 HB VAL A 805 -12.498 -10.084 -1.730 1.00 0.00 H new ATOM 0 HG11 VAL A 805 -12.176 -11.629 -3.620 1.00 0.00 H new ATOM 0 HG12 VAL A 805 -13.871 -11.112 -3.457 1.00 0.00 H new ATOM 0 HG13 VAL A 805 -12.842 -10.403 -4.725 1.00 0.00 H new ATOM 0 HG21 VAL A 805 -10.348 -10.153 -2.935 1.00 0.00 H new ATOM 0 HG22 VAL A 805 -10.912 -8.842 -3.998 1.00 0.00 H new ATOM 0 HG23 VAL A 805 -10.685 -8.542 -2.259 1.00 0.00 H new ATOM 1398 N VAL A 806 -12.667 -6.689 -4.297 1.00 0.00 N ATOM 1399 CA VAL A 806 -12.507 -5.953 -5.536 1.00 0.00 C ATOM 1400 C VAL A 806 -11.042 -5.940 -5.949 1.00 0.00 C ATOM 1401 O VAL A 806 -10.157 -5.699 -5.122 1.00 0.00 O ATOM 1402 CB VAL A 806 -13.013 -4.500 -5.385 1.00 0.00 C ATOM 1403 CG1 VAL A 806 -12.692 -3.674 -6.625 1.00 0.00 C ATOM 1404 CG2 VAL A 806 -14.507 -4.489 -5.115 1.00 0.00 C ATOM 0 H VAL A 806 -12.235 -6.238 -3.491 1.00 0.00 H new ATOM 0 HA VAL A 806 -13.099 -6.450 -6.304 1.00 0.00 H new ATOM 0 HB VAL A 806 -12.497 -4.049 -4.537 1.00 0.00 H new ATOM 0 HG11 VAL A 806 -13.060 -2.657 -6.490 1.00 0.00 H new ATOM 0 HG12 VAL A 806 -11.613 -3.652 -6.779 1.00 0.00 H new ATOM 0 HG13 VAL A 806 -13.173 -4.121 -7.495 1.00 0.00 H new ATOM 0 HG21 VAL A 806 -14.850 -3.460 -5.011 1.00 0.00 H new ATOM 0 HG22 VAL A 806 -15.030 -4.964 -5.945 1.00 0.00 H new ATOM 0 HG23 VAL A 806 -14.715 -5.036 -4.195 1.00 0.00 H new ATOM 1414 N GLY A 807 -10.800 -6.221 -7.218 1.00 0.00 N ATOM 1415 CA GLY A 807 -9.450 -6.205 -7.747 1.00 0.00 C ATOM 1416 C GLY A 807 -8.895 -4.801 -7.824 1.00 0.00 C ATOM 1417 O GLY A 807 -9.385 -3.971 -8.592 1.00 0.00 O ATOM 0 H GLY A 807 -11.520 -6.462 -7.899 1.00 0.00 H new ATOM 0 HA2 GLY A 807 -8.805 -6.817 -7.116 1.00 0.00 H new ATOM 0 HA3 GLY A 807 -9.443 -6.654 -8.740 1.00 0.00 H new ATOM 1421 N LEU A 808 -7.882 -4.528 -7.020 1.00 0.00 N ATOM 1422 CA LEU A 808 -7.322 -3.196 -6.937 1.00 0.00 C ATOM 1423 C LEU A 808 -6.290 -2.936 -8.018 1.00 0.00 C ATOM 1424 O LEU A 808 -5.318 -3.680 -8.162 1.00 0.00 O ATOM 1425 CB LEU A 808 -6.698 -2.972 -5.570 1.00 0.00 C ATOM 1426 CG LEU A 808 -7.674 -3.018 -4.408 1.00 0.00 C ATOM 1427 CD1 LEU A 808 -6.993 -2.565 -3.134 1.00 0.00 C ATOM 1428 CD2 LEU A 808 -8.895 -2.183 -4.715 1.00 0.00 C ATOM 0 H LEU A 808 -7.432 -5.215 -6.415 1.00 0.00 H new ATOM 0 HA LEU A 808 -8.143 -2.495 -7.088 1.00 0.00 H new ATOM 0 HB2 LEU A 808 -5.928 -3.727 -5.410 1.00 0.00 H new ATOM 0 HB3 LEU A 808 -6.199 -2.003 -5.569 1.00 0.00 H new ATOM 0 HG LEU A 808 -8.005 -4.046 -4.260 1.00 0.00 H new ATOM 0 HD11 LEU A 808 -7.704 -2.603 -2.308 1.00 0.00 H new ATOM 0 HD12 LEU A 808 -6.151 -3.222 -2.918 1.00 0.00 H new ATOM 0 HD13 LEU A 808 -6.634 -1.543 -3.257 1.00 0.00 H new ATOM 0 HD21 LEU A 808 -9.586 -2.225 -3.873 1.00 0.00 H new ATOM 0 HD22 LEU A 808 -8.595 -1.149 -4.887 1.00 0.00 H new ATOM 0 HD23 LEU A 808 -9.386 -2.571 -5.607 1.00 0.00 H new ATOM 1440 N SER A 809 -6.512 -1.873 -8.770 1.00 0.00 N ATOM 1441 CA SER A 809 -5.543 -1.403 -9.737 1.00 0.00 C ATOM 1442 C SER A 809 -5.582 0.121 -9.785 1.00 0.00 C ATOM 1443 O SER A 809 -6.311 0.716 -10.580 1.00 0.00 O ATOM 1444 CB SER A 809 -5.830 -2.001 -11.119 1.00 0.00 C ATOM 1445 OG SER A 809 -4.800 -1.688 -12.043 1.00 0.00 O ATOM 0 H SER A 809 -7.365 -1.315 -8.726 1.00 0.00 H new ATOM 0 HA SER A 809 -4.545 -1.724 -9.437 1.00 0.00 H new ATOM 0 HB2 SER A 809 -5.929 -3.083 -11.035 1.00 0.00 H new ATOM 0 HB3 SER A 809 -6.782 -1.622 -11.491 1.00 0.00 H new ATOM 0 HG SER A 809 -5.011 -2.084 -12.914 1.00 0.00 H new ATOM 1451 N GLN A 810 -4.809 0.737 -8.906 1.00 0.00 N ATOM 1452 CA GLN A 810 -4.693 2.189 -8.840 1.00 0.00 C ATOM 1453 C GLN A 810 -3.250 2.562 -8.480 1.00 0.00 C ATOM 1454 O GLN A 810 -2.467 1.663 -8.167 1.00 0.00 O ATOM 1455 CB GLN A 810 -5.729 2.757 -7.848 1.00 0.00 C ATOM 1456 CG GLN A 810 -7.031 3.166 -8.532 1.00 0.00 C ATOM 1457 CD GLN A 810 -8.175 3.496 -7.580 1.00 0.00 C ATOM 1458 OE1 GLN A 810 -9.339 3.291 -7.917 1.00 0.00 O ATOM 1459 NE2 GLN A 810 -7.869 4.003 -6.395 1.00 0.00 N ATOM 0 H GLN A 810 -4.242 0.245 -8.215 1.00 0.00 H new ATOM 0 HA GLN A 810 -4.914 2.636 -9.809 1.00 0.00 H new ATOM 0 HB2 GLN A 810 -5.943 2.010 -7.084 1.00 0.00 H new ATOM 0 HB3 GLN A 810 -5.303 3.621 -7.338 1.00 0.00 H new ATOM 0 HG2 GLN A 810 -6.838 4.035 -9.161 1.00 0.00 H new ATOM 0 HG3 GLN A 810 -7.348 2.359 -9.193 1.00 0.00 H new ATOM 0 HE21 GLN A 810 -6.893 4.162 -6.145 1.00 0.00 H new ATOM 0 HE22 GLN A 810 -8.609 4.235 -5.733 1.00 0.00 H new ATOM 1468 N PRO A 811 -2.867 3.861 -8.539 1.00 0.00 N ATOM 1469 CA PRO A 811 -1.465 4.295 -8.379 1.00 0.00 C ATOM 1470 C PRO A 811 -0.699 3.593 -7.254 1.00 0.00 C ATOM 1471 O PRO A 811 -1.225 3.351 -6.167 1.00 0.00 O ATOM 1472 CB PRO A 811 -1.604 5.780 -8.069 1.00 0.00 C ATOM 1473 CG PRO A 811 -2.825 6.202 -8.809 1.00 0.00 C ATOM 1474 CD PRO A 811 -3.751 5.012 -8.824 1.00 0.00 C ATOM 0 HA PRO A 811 -0.884 4.056 -9.270 1.00 0.00 H new ATOM 0 HB2 PRO A 811 -1.709 5.954 -6.998 1.00 0.00 H new ATOM 0 HB3 PRO A 811 -0.727 6.338 -8.398 1.00 0.00 H new ATOM 0 HG2 PRO A 811 -3.298 7.055 -8.322 1.00 0.00 H new ATOM 0 HG3 PRO A 811 -2.576 6.512 -9.824 1.00 0.00 H new ATOM 0 HD2 PRO A 811 -4.535 5.108 -8.073 1.00 0.00 H new ATOM 0 HD3 PRO A 811 -4.246 4.905 -9.789 1.00 0.00 H new ATOM 1482 N ASP A 812 0.556 3.280 -7.554 1.00 0.00 N ATOM 1483 CA ASP A 812 1.447 2.567 -6.642 1.00 0.00 C ATOM 1484 C ASP A 812 2.572 3.475 -6.173 1.00 0.00 C ATOM 1485 O ASP A 812 2.766 4.569 -6.708 1.00 0.00 O ATOM 1486 CB ASP A 812 2.049 1.335 -7.322 1.00 0.00 C ATOM 1487 CG ASP A 812 2.815 1.668 -8.593 1.00 0.00 C ATOM 1488 OD1 ASP A 812 2.182 2.070 -9.594 1.00 0.00 O ATOM 1489 OD2 ASP A 812 4.052 1.507 -8.610 1.00 0.00 O ATOM 0 H ASP A 812 0.990 3.516 -8.447 1.00 0.00 H new ATOM 0 HA ASP A 812 0.855 2.250 -5.783 1.00 0.00 H new ATOM 0 HB2 ASP A 812 2.718 0.832 -6.623 1.00 0.00 H new ATOM 0 HB3 ASP A 812 1.250 0.632 -7.560 1.00 0.00 H new ATOM 1494 N ALA A 813 3.293 3.027 -5.157 1.00 0.00 N ATOM 1495 CA ALA A 813 4.415 3.789 -4.619 1.00 0.00 C ATOM 1496 C ALA A 813 5.694 2.994 -4.782 1.00 0.00 C ATOM 1497 O ALA A 813 5.653 1.773 -4.875 1.00 0.00 O ATOM 1498 CB ALA A 813 4.205 4.119 -3.152 1.00 0.00 C ATOM 0 H ALA A 813 3.123 2.138 -4.686 1.00 0.00 H new ATOM 0 HA ALA A 813 4.486 4.726 -5.172 1.00 0.00 H new ATOM 0 HB1 ALA A 813 5.058 4.687 -2.781 1.00 0.00 H new ATOM 0 HB2 ALA A 813 3.297 4.712 -3.039 1.00 0.00 H new ATOM 0 HB3 ALA A 813 4.108 3.195 -2.581 1.00 0.00 H new ATOM 1504 N LYS A 814 6.827 3.664 -4.818 1.00 0.00 N ATOM 1505 CA LYS A 814 8.085 2.958 -4.891 1.00 0.00 C ATOM 1506 C LYS A 814 8.964 3.313 -3.706 1.00 0.00 C ATOM 1507 O LYS A 814 9.092 4.474 -3.336 1.00 0.00 O ATOM 1508 CB LYS A 814 8.823 3.246 -6.196 1.00 0.00 C ATOM 1509 CG LYS A 814 9.566 2.026 -6.704 1.00 0.00 C ATOM 1510 CD LYS A 814 10.478 2.331 -7.876 1.00 0.00 C ATOM 1511 CE LYS A 814 11.622 3.240 -7.469 1.00 0.00 C ATOM 1512 NZ LYS A 814 12.801 3.074 -8.352 1.00 0.00 N ATOM 0 H LYS A 814 6.902 4.681 -4.798 1.00 0.00 H new ATOM 0 HA LYS A 814 7.861 1.892 -4.864 1.00 0.00 H new ATOM 0 HB2 LYS A 814 8.110 3.578 -6.951 1.00 0.00 H new ATOM 0 HB3 LYS A 814 9.528 4.063 -6.042 1.00 0.00 H new ATOM 0 HG2 LYS A 814 10.157 1.604 -5.892 1.00 0.00 H new ATOM 0 HG3 LYS A 814 8.844 1.266 -7.001 1.00 0.00 H new ATOM 0 HD2 LYS A 814 10.877 1.400 -8.279 1.00 0.00 H new ATOM 0 HD3 LYS A 814 9.903 2.803 -8.673 1.00 0.00 H new ATOM 0 HE2 LYS A 814 11.289 4.278 -7.499 1.00 0.00 H new ATOM 0 HE3 LYS A 814 11.907 3.026 -6.439 1.00 0.00 H new ATOM 0 HZ1 LYS A 814 13.304 3.981 -8.433 1.00 0.00 H new ATOM 0 HZ2 LYS A 814 13.439 2.359 -7.948 1.00 0.00 H new ATOM 0 HZ3 LYS A 814 12.488 2.766 -9.295 1.00 0.00 H new ATOM 1526 N ILE A 815 9.546 2.294 -3.116 1.00 0.00 N ATOM 1527 CA ILE A 815 10.455 2.441 -2.001 1.00 0.00 C ATOM 1528 C ILE A 815 11.834 1.945 -2.426 1.00 0.00 C ATOM 1529 O ILE A 815 12.041 0.746 -2.609 1.00 0.00 O ATOM 1530 CB ILE A 815 9.970 1.618 -0.785 1.00 0.00 C ATOM 1531 CG1 ILE A 815 8.619 2.131 -0.274 1.00 0.00 C ATOM 1532 CG2 ILE A 815 11.003 1.628 0.328 1.00 0.00 C ATOM 1533 CD1 ILE A 815 7.418 1.383 -0.828 1.00 0.00 C ATOM 0 H ILE A 815 9.399 1.326 -3.401 1.00 0.00 H new ATOM 0 HA ILE A 815 10.497 3.491 -1.713 1.00 0.00 H new ATOM 0 HB ILE A 815 9.837 0.588 -1.115 1.00 0.00 H new ATOM 0 HG12 ILE A 815 8.605 2.063 0.814 1.00 0.00 H new ATOM 0 HG13 ILE A 815 8.524 3.187 -0.528 1.00 0.00 H new ATOM 0 HG21 ILE A 815 10.636 1.042 1.170 1.00 0.00 H new ATOM 0 HG22 ILE A 815 11.935 1.195 -0.036 1.00 0.00 H new ATOM 0 HG23 ILE A 815 11.181 2.654 0.650 1.00 0.00 H new ATOM 0 HD11 ILE A 815 6.503 1.809 -0.416 1.00 0.00 H new ATOM 0 HD12 ILE A 815 7.403 1.472 -1.914 1.00 0.00 H new ATOM 0 HD13 ILE A 815 7.485 0.331 -0.551 1.00 0.00 H new ATOM 1545 N GLN A 816 12.764 2.861 -2.608 1.00 0.00 N ATOM 1546 CA GLN A 816 14.106 2.502 -3.045 1.00 0.00 C ATOM 1547 C GLN A 816 15.061 2.550 -1.858 1.00 0.00 C ATOM 1548 O GLN A 816 15.403 3.618 -1.349 1.00 0.00 O ATOM 1549 CB GLN A 816 14.564 3.441 -4.152 1.00 0.00 C ATOM 1550 CG GLN A 816 15.518 2.792 -5.142 1.00 0.00 C ATOM 1551 CD GLN A 816 16.952 2.738 -4.655 1.00 0.00 C ATOM 1552 OE1 GLN A 816 17.729 3.668 -4.869 1.00 0.00 O ATOM 1553 NE2 GLN A 816 17.323 1.641 -4.013 1.00 0.00 N ATOM 0 H GLN A 816 12.619 3.860 -2.461 1.00 0.00 H new ATOM 0 HA GLN A 816 14.099 1.487 -3.444 1.00 0.00 H new ATOM 0 HB2 GLN A 816 13.690 3.809 -4.690 1.00 0.00 H new ATOM 0 HB3 GLN A 816 15.051 4.307 -3.704 1.00 0.00 H new ATOM 0 HG2 GLN A 816 15.176 1.779 -5.353 1.00 0.00 H new ATOM 0 HG3 GLN A 816 15.483 3.342 -6.082 1.00 0.00 H new ATOM 0 HE21 GLN A 816 16.650 0.891 -3.854 1.00 0.00 H new ATOM 0 HE22 GLN A 816 18.281 1.546 -3.677 1.00 0.00 H new ATOM 1562 N VAL A 817 15.478 1.381 -1.425 1.00 0.00 N ATOM 1563 CA VAL A 817 16.352 1.245 -0.273 1.00 0.00 C ATOM 1564 C VAL A 817 17.795 1.079 -0.726 1.00 0.00 C ATOM 1565 O VAL A 817 18.071 0.400 -1.709 1.00 0.00 O ATOM 1566 CB VAL A 817 15.926 0.035 0.591 1.00 0.00 C ATOM 1567 CG1 VAL A 817 16.864 -0.180 1.769 1.00 0.00 C ATOM 1568 CG2 VAL A 817 14.504 0.231 1.080 1.00 0.00 C ATOM 0 H VAL A 817 15.222 0.495 -1.860 1.00 0.00 H new ATOM 0 HA VAL A 817 16.271 2.149 0.330 1.00 0.00 H new ATOM 0 HB VAL A 817 15.979 -0.857 -0.033 1.00 0.00 H new ATOM 0 HG11 VAL A 817 16.528 -1.039 2.349 1.00 0.00 H new ATOM 0 HG12 VAL A 817 17.874 -0.362 1.401 1.00 0.00 H new ATOM 0 HG13 VAL A 817 16.863 0.708 2.402 1.00 0.00 H new ATOM 0 HG21 VAL A 817 14.207 -0.623 1.688 1.00 0.00 H new ATOM 0 HG22 VAL A 817 14.447 1.140 1.679 1.00 0.00 H new ATOM 0 HG23 VAL A 817 13.834 0.318 0.225 1.00 0.00 H new ATOM 1578 N ARG A 818 18.708 1.717 -0.032 1.00 0.00 N ATOM 1579 CA ARG A 818 20.120 1.602 -0.354 1.00 0.00 C ATOM 1580 C ARG A 818 20.904 1.197 0.875 1.00 0.00 C ATOM 1581 O ARG A 818 20.343 1.063 1.947 1.00 0.00 O ATOM 1582 CB ARG A 818 20.652 2.923 -0.908 1.00 0.00 C ATOM 1583 CG ARG A 818 20.148 3.254 -2.300 1.00 0.00 C ATOM 1584 CD ARG A 818 20.694 2.280 -3.328 1.00 0.00 C ATOM 1585 NE ARG A 818 20.264 2.611 -4.683 1.00 0.00 N ATOM 1586 CZ ARG A 818 20.848 2.140 -5.781 1.00 0.00 C ATOM 1587 NH1 ARG A 818 21.864 1.290 -5.686 1.00 0.00 N ATOM 1588 NH2 ARG A 818 20.411 2.505 -6.976 1.00 0.00 N ATOM 0 H ARG A 818 18.503 2.324 0.762 1.00 0.00 H new ATOM 0 HA ARG A 818 20.240 0.833 -1.117 1.00 0.00 H new ATOM 0 HB2 ARG A 818 20.372 3.729 -0.230 1.00 0.00 H new ATOM 0 HB3 ARG A 818 21.741 2.886 -0.926 1.00 0.00 H new ATOM 0 HG2 ARG A 818 19.058 3.226 -2.311 1.00 0.00 H new ATOM 0 HG3 ARG A 818 20.443 4.269 -2.565 1.00 0.00 H new ATOM 0 HD2 ARG A 818 21.783 2.280 -3.284 1.00 0.00 H new ATOM 0 HD3 ARG A 818 20.365 1.271 -3.080 1.00 0.00 H new ATOM 0 HE ARG A 818 19.469 3.240 -4.794 1.00 0.00 H new ATOM 0 HH11 ARG A 818 22.199 0.996 -4.768 1.00 0.00 H new ATOM 0 HH12 ARG A 818 22.309 0.931 -6.531 1.00 0.00 H new ATOM 0 HH21 ARG A 818 19.624 3.149 -7.056 1.00 0.00 H new ATOM 0 HH22 ARG A 818 20.861 2.142 -7.816 1.00 0.00 H new ATOM 1602 N ARG A 819 22.191 0.972 0.712 1.00 0.00 N ATOM 1603 CA ARG A 819 23.031 0.565 1.821 1.00 0.00 C ATOM 1604 C ARG A 819 24.066 1.632 2.139 1.00 0.00 C ATOM 1605 O ARG A 819 24.956 1.915 1.336 1.00 0.00 O ATOM 1606 CB ARG A 819 23.702 -0.756 1.501 1.00 0.00 C ATOM 1607 CG ARG A 819 24.626 -1.253 2.595 1.00 0.00 C ATOM 1608 CD ARG A 819 24.721 -2.759 2.562 1.00 0.00 C ATOM 1609 NE ARG A 819 25.648 -3.283 3.562 1.00 0.00 N ATOM 1610 CZ ARG A 819 25.796 -4.580 3.819 1.00 0.00 C ATOM 1611 NH1 ARG A 819 25.081 -5.478 3.149 1.00 0.00 N ATOM 1612 NH2 ARG A 819 26.659 -4.980 4.743 1.00 0.00 N ATOM 0 H ARG A 819 22.680 1.064 -0.179 1.00 0.00 H new ATOM 0 HA ARG A 819 22.405 0.437 2.704 1.00 0.00 H new ATOM 0 HB2 ARG A 819 22.934 -1.508 1.317 1.00 0.00 H new ATOM 0 HB3 ARG A 819 24.271 -0.649 0.578 1.00 0.00 H new ATOM 0 HG2 ARG A 819 25.617 -0.817 2.468 1.00 0.00 H new ATOM 0 HG3 ARG A 819 24.257 -0.927 3.567 1.00 0.00 H new ATOM 0 HD2 ARG A 819 23.732 -3.186 2.729 1.00 0.00 H new ATOM 0 HD3 ARG A 819 25.043 -3.078 1.571 1.00 0.00 H new ATOM 0 HE ARG A 819 26.212 -2.619 4.092 1.00 0.00 H new ATOM 0 HH11 ARG A 819 24.418 -5.173 2.437 1.00 0.00 H new ATOM 0 HH12 ARG A 819 25.196 -6.472 3.347 1.00 0.00 H new ATOM 0 HH21 ARG A 819 27.210 -4.293 5.258 1.00 0.00 H new ATOM 0 HH22 ARG A 819 26.772 -5.975 4.939 1.00 0.00 H new ATOM 1626 N ASP A 820 23.936 2.220 3.315 1.00 0.00 N ATOM 1627 CA ASP A 820 24.843 3.257 3.765 1.00 0.00 C ATOM 1628 C ASP A 820 25.978 2.642 4.573 1.00 0.00 C ATOM 1629 O ASP A 820 27.147 2.923 4.317 1.00 99.99 O ATOM 1630 CB ASP A 820 24.089 4.314 4.588 1.00 0.00 C ATOM 1631 CG ASP A 820 23.398 3.745 5.814 1.00 0.00 C ATOM 1632 OD1 ASP A 820 22.517 2.867 5.662 1.00 0.00 O ATOM 1633 OD2 ASP A 820 23.712 4.192 6.937 1.00 0.00 O ATOM 0 H ASP A 820 23.200 1.992 3.983 1.00 0.00 H new ATOM 0 HA ASP A 820 25.271 3.755 2.894 1.00 0.00 H new ATOM 0 HB2 ASP A 820 24.790 5.087 4.902 1.00 0.00 H new ATOM 0 HB3 ASP A 820 23.346 4.796 3.953 1.00 0.00 H new TER 1638 ASP A 820