USER MOD reduce.3.24.130724 H: found=0, std=0, add=836, rem=0, adj=30 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 739 SER OG : rot 100:sc= 1.04 USER MOD Set 1.2: A 782 THR OG1 : rot -125:sc= -0.149! USER MOD Set 2.1: A 722 SER OG : rot 140:sc= 0.425 USER MOD Set 2.2: A 810 GLN : amide:sc= -1.43 X(o=-1,f=-1.3!) USER MOD Single : A 720 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 724 SER OG : rot 180:sc= 0 USER MOD Single : A 726 LYS NZ :NH3+ -167:sc= 1.26 (180deg=1.2) USER MOD Single : A 728 HIS : no HD1:sc= -0.122 K(o=-0.12,f=-0.65) USER MOD Single : A 729 HIS : no HE2:sc= -0.0894 K(o=-0.089,f=-0.67) USER MOD Single : A 732 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 734 CYS SG : rot 99:sc= 1.18! USER MOD Single : A 738 HIS : no HD1:sc=-0.00325 X(o=-0.0032,f=0) USER MOD Single : A 740 SER OG : rot 47:sc= 0.0505 USER MOD Single : A 746 LYS NZ :NH3+ 171:sc=-0.00395 (180deg=-0.0986) USER MOD Single : A 748 GLN : amide:sc= -0.715 K(o=-0.72,f=-1.9) USER MOD Single : A 752 THR OG1 : rot 80:sc=-0.00716 USER MOD Single : A 754 THR OG1 : rot -113:sc= 1.3 USER MOD Single : A 755 TYR OH : rot -87:sc= 0.0482 USER MOD Single : A 760 THR OG1 : rot -10:sc= 0.669 USER MOD Single : A 762 SER OG : rot 180:sc= -0.0166 USER MOD Single : A 763 SER OG : rot 180:sc= -0.216 USER MOD Single : A 764 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 766 LYS NZ :NH3+ -173:sc= 1.17 (180deg=1.11) USER MOD Single : A 767 THR OG1 : rot -33:sc= 1.19 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= -0.458! K(o=-0.46!,f=-1.4) USER MOD Single : A 778 TYR OH : rot 180:sc= 0 USER MOD Single : A 781 LYS NZ :NH3+ 177:sc= 1.26 (180deg=1.22) USER MOD Single : A 786 THR OG1 : rot 180:sc= 0 USER MOD Single : A 787 THR OG1 : rot 180:sc= -0.0766 USER MOD Single : A 791 TYR OH : rot -4:sc= 0.32 USER MOD Single : A 794 SER OG : rot 180:sc= -0.26 USER MOD Single : A 797 SER OG : rot 2:sc= 1.19 USER MOD Single : A 799 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 801 SER OG : rot 180:sc= 0.00862 USER MOD Single : A 802 THR OG1 : rot -76:sc= 1.31 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 816 GLN :FLIP amide:sc= -3.69! C(o=-5.6!,f=-3.7!) USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 718 -23.433 0.124 -3.112 1.00 0.00 N ATOM 2 CA ARG A 718 -22.521 -0.505 -4.044 1.00 0.00 C ATOM 3 C ARG A 718 -21.760 0.528 -4.844 1.00 0.00 C ATOM 4 O ARG A 718 -22.323 1.295 -5.627 1.00 0.00 O ATOM 5 CB ARG A 718 -23.252 -1.469 -4.968 1.00 0.00 C ATOM 6 CG ARG A 718 -22.325 -2.318 -5.832 1.00 0.00 C ATOM 7 CD ARG A 718 -21.212 -2.959 -5.009 1.00 0.00 C ATOM 8 NE ARG A 718 -21.718 -3.626 -3.809 1.00 0.00 N ATOM 9 CZ ARG A 718 -21.188 -3.476 -2.593 1.00 0.00 C ATOM 10 NH1 ARG A 718 -20.113 -2.713 -2.421 1.00 0.00 N ATOM 11 NH2 ARG A 718 -21.723 -4.099 -1.550 1.00 0.00 N ATOM 0 HA ARG A 718 -21.802 -1.079 -3.460 1.00 0.00 H new ATOM 0 HB2 ARG A 718 -23.878 -2.129 -4.367 1.00 0.00 H new ATOM 0 HB3 ARG A 718 -23.918 -0.901 -5.617 1.00 0.00 H new ATOM 0 HG2 ARG A 718 -22.904 -3.096 -6.329 1.00 0.00 H new ATOM 0 HG3 ARG A 718 -21.887 -1.697 -6.614 1.00 0.00 H new ATOM 0 HD2 ARG A 718 -20.679 -3.682 -5.626 1.00 0.00 H new ATOM 0 HD3 ARG A 718 -20.491 -2.194 -4.720 1.00 0.00 H new ATOM 0 HE ARG A 718 -22.524 -4.243 -3.908 1.00 0.00 H new ATOM 0 HH11 ARG A 718 -19.690 -2.240 -3.220 1.00 0.00 H new ATOM 0 HH12 ARG A 718 -19.711 -2.601 -1.490 1.00 0.00 H new ATOM 0 HH21 ARG A 718 -22.541 -4.694 -1.676 1.00 0.00 H new ATOM 0 HH22 ARG A 718 -21.316 -3.982 -0.622 1.00 0.00 H new ATOM 25 N VAL A 719 -20.475 0.532 -4.608 1.00 0.00 N ATOM 26 CA VAL A 719 -19.537 1.390 -5.295 1.00 0.00 C ATOM 27 C VAL A 719 -18.190 0.705 -5.297 1.00 0.00 C ATOM 28 O VAL A 719 -17.898 -0.086 -4.400 1.00 0.00 O ATOM 29 CB VAL A 719 -19.437 2.783 -4.627 1.00 0.00 C ATOM 30 CG1 VAL A 719 -19.170 2.657 -3.134 1.00 0.00 C ATOM 31 CG2 VAL A 719 -18.375 3.651 -5.289 1.00 0.00 C ATOM 0 H VAL A 719 -20.037 -0.076 -3.916 1.00 0.00 H new ATOM 0 HA VAL A 719 -19.883 1.556 -6.315 1.00 0.00 H new ATOM 0 HB VAL A 719 -20.400 3.275 -4.764 1.00 0.00 H new ATOM 0 HG11 VAL A 719 -19.105 3.651 -2.691 1.00 0.00 H new ATOM 0 HG12 VAL A 719 -19.983 2.103 -2.664 1.00 0.00 H new ATOM 0 HG13 VAL A 719 -18.231 2.127 -2.976 1.00 0.00 H new ATOM 0 HG21 VAL A 719 -18.335 4.620 -4.792 1.00 0.00 H new ATOM 0 HG22 VAL A 719 -17.404 3.162 -5.209 1.00 0.00 H new ATOM 0 HG23 VAL A 719 -18.624 3.793 -6.341 1.00 0.00 H new ATOM 41 N LYS A 720 -17.401 0.974 -6.313 1.00 0.00 N ATOM 42 CA LYS A 720 -16.092 0.353 -6.447 1.00 0.00 C ATOM 43 C LYS A 720 -15.082 1.035 -5.538 1.00 0.00 C ATOM 44 O LYS A 720 -14.668 2.164 -5.803 1.00 0.00 O ATOM 45 CB LYS A 720 -15.596 0.416 -7.888 1.00 0.00 C ATOM 46 CG LYS A 720 -16.478 -0.312 -8.887 1.00 0.00 C ATOM 47 CD LYS A 720 -15.828 -0.363 -10.261 1.00 0.00 C ATOM 48 CE LYS A 720 -14.569 -1.217 -10.254 1.00 0.00 C ATOM 49 NZ LYS A 720 -13.865 -1.190 -11.562 1.00 0.00 N ATOM 0 H LYS A 720 -17.640 1.621 -7.064 1.00 0.00 H new ATOM 0 HA LYS A 720 -16.194 -0.693 -6.156 1.00 0.00 H new ATOM 0 HB2 LYS A 720 -15.516 1.461 -8.187 1.00 0.00 H new ATOM 0 HB3 LYS A 720 -14.592 -0.006 -7.933 1.00 0.00 H new ATOM 0 HG2 LYS A 720 -16.670 -1.326 -8.535 1.00 0.00 H new ATOM 0 HG3 LYS A 720 -17.443 0.190 -8.957 1.00 0.00 H new ATOM 0 HD2 LYS A 720 -16.537 -0.765 -10.985 1.00 0.00 H new ATOM 0 HD3 LYS A 720 -15.581 0.648 -10.585 1.00 0.00 H new ATOM 0 HE2 LYS A 720 -13.896 -0.862 -9.474 1.00 0.00 H new ATOM 0 HE3 LYS A 720 -14.831 -2.245 -10.006 1.00 0.00 H new ATOM 0 HZ1 LYS A 720 -13.014 -1.785 -11.510 1.00 0.00 H new ATOM 0 HZ2 LYS A 720 -14.497 -1.553 -12.304 1.00 0.00 H new ATOM 0 HZ3 LYS A 720 -13.591 -0.213 -11.788 1.00 0.00 H new ATOM 63 N PRO A 721 -14.670 0.364 -4.457 1.00 0.00 N ATOM 64 CA PRO A 721 -13.698 0.900 -3.521 1.00 0.00 C ATOM 65 C PRO A 721 -12.272 0.578 -3.958 1.00 0.00 C ATOM 66 O PRO A 721 -12.063 -0.288 -4.810 1.00 0.00 O ATOM 67 CB PRO A 721 -14.060 0.201 -2.211 1.00 0.00 C ATOM 68 CG PRO A 721 -14.779 -1.062 -2.598 1.00 0.00 C ATOM 69 CD PRO A 721 -15.105 -0.983 -4.070 1.00 0.00 C ATOM 0 HA PRO A 721 -13.728 1.987 -3.444 1.00 0.00 H new ATOM 0 HB2 PRO A 721 -13.166 -0.022 -1.628 1.00 0.00 H new ATOM 0 HB3 PRO A 721 -14.694 0.836 -1.592 1.00 0.00 H new ATOM 0 HG2 PRO A 721 -14.157 -1.933 -2.392 1.00 0.00 H new ATOM 0 HG3 PRO A 721 -15.691 -1.176 -2.012 1.00 0.00 H new ATOM 0 HD2 PRO A 721 -14.579 -1.751 -4.637 1.00 0.00 H new ATOM 0 HD3 PRO A 721 -16.170 -1.126 -4.251 1.00 0.00 H new ATOM 77 N SER A 722 -11.292 1.270 -3.385 1.00 0.00 N ATOM 78 CA SER A 722 -9.917 1.139 -3.831 1.00 0.00 C ATOM 79 C SER A 722 -8.982 1.939 -2.926 1.00 0.00 C ATOM 80 O SER A 722 -9.280 2.169 -1.758 1.00 0.00 O ATOM 81 CB SER A 722 -9.817 1.626 -5.282 1.00 0.00 C ATOM 82 OG SER A 722 -8.587 1.251 -5.884 1.00 0.00 O ATOM 0 H SER A 722 -11.428 1.924 -2.614 1.00 0.00 H new ATOM 0 HA SER A 722 -9.614 0.093 -3.779 1.00 0.00 H new ATOM 0 HB2 SER A 722 -10.644 1.215 -5.861 1.00 0.00 H new ATOM 0 HB3 SER A 722 -9.918 2.711 -5.308 1.00 0.00 H new ATOM 0 HG SER A 722 -8.747 0.974 -6.810 1.00 0.00 H new ATOM 88 N ALA A 723 -7.845 2.346 -3.463 1.00 0.00 N ATOM 89 CA ALA A 723 -6.884 3.143 -2.723 1.00 0.00 C ATOM 90 C ALA A 723 -6.090 4.017 -3.685 1.00 0.00 C ATOM 91 O ALA A 723 -5.788 3.591 -4.791 1.00 0.00 O ATOM 92 CB ALA A 723 -5.966 2.232 -1.928 1.00 0.00 C ATOM 0 H ALA A 723 -7.563 2.134 -4.420 1.00 0.00 H new ATOM 0 HA ALA A 723 -7.409 3.794 -2.024 1.00 0.00 H new ATOM 0 HB1 ALA A 723 -5.246 2.835 -1.374 1.00 0.00 H new ATOM 0 HB2 ALA A 723 -6.557 1.640 -1.230 1.00 0.00 H new ATOM 0 HB3 ALA A 723 -5.435 1.567 -2.609 1.00 0.00 H new ATOM 98 N SER A 724 -5.764 5.237 -3.284 1.00 0.00 N ATOM 99 CA SER A 724 -5.018 6.132 -4.153 1.00 0.00 C ATOM 100 C SER A 724 -3.903 6.793 -3.363 1.00 0.00 C ATOM 101 O SER A 724 -4.133 7.752 -2.618 1.00 0.00 O ATOM 102 CB SER A 724 -5.949 7.187 -4.758 1.00 0.00 C ATOM 103 OG SER A 724 -5.300 7.925 -5.780 1.00 0.00 O ATOM 0 H SER A 724 -6.002 5.626 -2.372 1.00 0.00 H new ATOM 0 HA SER A 724 -4.581 5.558 -4.970 1.00 0.00 H new ATOM 0 HB2 SER A 724 -6.836 6.701 -5.165 1.00 0.00 H new ATOM 0 HB3 SER A 724 -6.288 7.866 -3.976 1.00 0.00 H new ATOM 0 HG SER A 724 -5.920 8.589 -6.148 1.00 0.00 H new ATOM 109 N LEU A 725 -2.701 6.257 -3.499 1.00 0.00 N ATOM 110 CA LEU A 725 -1.574 6.709 -2.749 1.00 0.00 C ATOM 111 C LEU A 725 -1.261 8.164 -2.987 1.00 0.00 C ATOM 112 O LEU A 725 -1.405 8.700 -4.086 1.00 0.00 O ATOM 113 CB LEU A 725 -0.368 5.853 -3.065 1.00 0.00 C ATOM 114 CG LEU A 725 -0.410 4.441 -2.486 1.00 0.00 C ATOM 115 CD1 LEU A 725 -1.684 3.730 -2.852 1.00 0.00 C ATOM 116 CD2 LEU A 725 0.788 3.666 -2.949 1.00 0.00 C ATOM 0 H LEU A 725 -2.494 5.492 -4.141 1.00 0.00 H new ATOM 0 HA LEU A 725 -1.829 6.611 -1.694 1.00 0.00 H new ATOM 0 HB2 LEU A 725 -0.265 5.783 -4.148 1.00 0.00 H new ATOM 0 HB3 LEU A 725 0.524 6.356 -2.692 1.00 0.00 H new ATOM 0 HG LEU A 725 -0.386 4.516 -1.399 1.00 0.00 H new ATOM 0 HD11 LEU A 725 -1.678 2.728 -2.422 1.00 0.00 H new ATOM 0 HD12 LEU A 725 -2.536 4.287 -2.462 1.00 0.00 H new ATOM 0 HD13 LEU A 725 -1.762 3.659 -3.937 1.00 0.00 H new ATOM 0 HD21 LEU A 725 0.753 2.659 -2.533 1.00 0.00 H new ATOM 0 HD22 LEU A 725 0.786 3.609 -4.038 1.00 0.00 H new ATOM 0 HD23 LEU A 725 1.697 4.166 -2.613 1.00 0.00 H new ATOM 128 N LYS A 726 -0.828 8.776 -1.916 1.00 0.00 N ATOM 129 CA LYS A 726 -0.465 10.180 -1.904 1.00 0.00 C ATOM 130 C LYS A 726 1.025 10.320 -2.168 1.00 0.00 C ATOM 131 O LYS A 726 1.506 11.386 -2.542 1.00 0.00 O ATOM 132 CB LYS A 726 -0.815 10.807 -0.561 1.00 0.00 C ATOM 133 CG LYS A 726 -2.207 10.448 -0.080 1.00 0.00 C ATOM 134 CD LYS A 726 -2.657 11.344 1.058 1.00 0.00 C ATOM 135 CE LYS A 726 -2.919 12.759 0.570 1.00 0.00 C ATOM 136 NZ LYS A 726 -3.259 13.682 1.684 1.00 0.00 N ATOM 0 H LYS A 726 -0.714 8.313 -1.014 1.00 0.00 H new ATOM 0 HA LYS A 726 -1.023 10.698 -2.684 1.00 0.00 H new ATOM 0 HB2 LYS A 726 -0.086 10.486 0.183 1.00 0.00 H new ATOM 0 HB3 LYS A 726 -0.733 11.891 -0.641 1.00 0.00 H new ATOM 0 HG2 LYS A 726 -2.911 10.531 -0.908 1.00 0.00 H new ATOM 0 HG3 LYS A 726 -2.222 9.409 0.248 1.00 0.00 H new ATOM 0 HD2 LYS A 726 -3.563 10.938 1.508 1.00 0.00 H new ATOM 0 HD3 LYS A 726 -1.894 11.360 1.836 1.00 0.00 H new ATOM 0 HE2 LYS A 726 -2.037 13.131 0.048 1.00 0.00 H new ATOM 0 HE3 LYS A 726 -3.735 12.747 -0.152 1.00 0.00 H new ATOM 0 HZ1 LYS A 726 -3.641 14.568 1.296 1.00 0.00 H new ATOM 0 HZ2 LYS A 726 -3.971 13.237 2.298 1.00 0.00 H new ATOM 0 HZ3 LYS A 726 -2.403 13.887 2.238 1.00 0.00 H new ATOM 150 N LEU A 727 1.749 9.227 -1.950 1.00 0.00 N ATOM 151 CA LEU A 727 3.179 9.193 -2.208 1.00 0.00 C ATOM 152 C LEU A 727 3.400 9.190 -3.718 1.00 0.00 C ATOM 153 O LEU A 727 3.128 8.193 -4.391 1.00 0.00 O ATOM 154 CB LEU A 727 3.793 7.937 -1.568 1.00 0.00 C ATOM 155 CG LEU A 727 5.281 8.008 -1.186 1.00 0.00 C ATOM 156 CD1 LEU A 727 6.160 8.178 -2.411 1.00 0.00 C ATOM 157 CD2 LEU A 727 5.531 9.133 -0.194 1.00 0.00 C ATOM 0 H LEU A 727 1.365 8.352 -1.594 1.00 0.00 H new ATOM 0 HA LEU A 727 3.662 10.068 -1.773 1.00 0.00 H new ATOM 0 HB2 LEU A 727 3.223 7.701 -0.670 1.00 0.00 H new ATOM 0 HB3 LEU A 727 3.659 7.104 -2.259 1.00 0.00 H new ATOM 0 HG LEU A 727 5.544 7.062 -0.712 1.00 0.00 H new ATOM 0 HD11 LEU A 727 7.205 8.225 -2.105 1.00 0.00 H new ATOM 0 HD12 LEU A 727 6.016 7.332 -3.083 1.00 0.00 H new ATOM 0 HD13 LEU A 727 5.891 9.100 -2.926 1.00 0.00 H new ATOM 0 HD21 LEU A 727 6.590 9.164 0.062 1.00 0.00 H new ATOM 0 HD22 LEU A 727 5.237 10.083 -0.640 1.00 0.00 H new ATOM 0 HD23 LEU A 727 4.945 8.959 0.708 1.00 0.00 H new ATOM 169 N HIS A 728 3.887 10.300 -4.251 1.00 0.00 N ATOM 170 CA HIS A 728 3.988 10.462 -5.695 1.00 0.00 C ATOM 171 C HIS A 728 5.443 10.579 -6.142 1.00 0.00 C ATOM 172 O HIS A 728 5.810 11.518 -6.844 1.00 0.00 O ATOM 173 CB HIS A 728 3.208 11.708 -6.119 1.00 0.00 C ATOM 174 CG HIS A 728 2.903 11.773 -7.585 1.00 0.00 C ATOM 175 ND1 HIS A 728 3.671 12.482 -8.482 1.00 0.00 N ATOM 176 CD2 HIS A 728 1.900 11.221 -8.305 1.00 0.00 C ATOM 177 CE1 HIS A 728 3.151 12.368 -9.688 1.00 0.00 C ATOM 178 NE2 HIS A 728 2.078 11.606 -9.609 1.00 0.00 N ATOM 0 H HIS A 728 4.217 11.099 -3.709 1.00 0.00 H new ATOM 0 HA HIS A 728 3.564 9.578 -6.172 1.00 0.00 H new ATOM 0 HB2 HIS A 728 2.271 11.743 -5.563 1.00 0.00 H new ATOM 0 HB3 HIS A 728 3.779 12.593 -5.839 1.00 0.00 H new ATOM 0 HD2 HIS A 728 1.107 10.594 -7.924 1.00 0.00 H new ATOM 0 HE1 HIS A 728 3.538 12.822 -10.588 1.00 0.00 H new ATOM 0 HE2 HIS A 728 1.478 11.345 -10.391 1.00 0.00 H new ATOM 187 N HIS A 729 6.268 9.627 -5.728 1.00 0.00 N ATOM 188 CA HIS A 729 7.683 9.630 -6.084 1.00 0.00 C ATOM 189 C HIS A 729 8.365 8.378 -5.562 1.00 0.00 C ATOM 190 O HIS A 729 7.719 7.508 -4.978 1.00 0.00 O ATOM 191 CB HIS A 729 8.406 10.879 -5.545 1.00 0.00 C ATOM 192 CG HIS A 729 8.244 11.098 -4.073 1.00 0.00 C ATOM 193 ND1 HIS A 729 9.260 10.923 -3.161 1.00 0.00 N ATOM 194 CD2 HIS A 729 7.168 11.495 -3.365 1.00 0.00 C ATOM 195 CE1 HIS A 729 8.814 11.204 -1.951 1.00 0.00 C ATOM 196 NE2 HIS A 729 7.544 11.557 -2.045 1.00 0.00 N ATOM 0 H HIS A 729 5.982 8.841 -5.144 1.00 0.00 H new ATOM 0 HA HIS A 729 7.742 9.648 -7.172 1.00 0.00 H new ATOM 0 HB2 HIS A 729 9.469 10.796 -5.773 1.00 0.00 H new ATOM 0 HB3 HIS A 729 8.034 11.756 -6.074 1.00 0.00 H new ATOM 0 HD1 HIS A 729 10.209 10.623 -3.385 1.00 0.00 H new ATOM 0 HD2 HIS A 729 6.190 11.723 -3.762 1.00 0.00 H new ATOM 0 HE1 HIS A 729 9.390 11.154 -1.039 1.00 0.00 H new ATOM 205 N ASP A 730 9.665 8.288 -5.787 1.00 0.00 N ATOM 206 CA ASP A 730 10.466 7.216 -5.222 1.00 0.00 C ATOM 207 C ASP A 730 10.740 7.525 -3.762 1.00 0.00 C ATOM 208 O ASP A 730 11.129 8.642 -3.417 1.00 0.00 O ATOM 209 CB ASP A 730 11.794 7.073 -5.972 1.00 0.00 C ATOM 210 CG ASP A 730 11.628 6.882 -7.466 1.00 0.00 C ATOM 211 OD1 ASP A 730 11.704 7.882 -8.208 1.00 0.00 O ATOM 212 OD2 ASP A 730 11.442 5.733 -7.914 1.00 0.00 O ATOM 0 H ASP A 730 10.190 8.948 -6.360 1.00 0.00 H new ATOM 0 HA ASP A 730 9.918 6.278 -5.314 1.00 0.00 H new ATOM 0 HB2 ASP A 730 12.401 7.961 -5.793 1.00 0.00 H new ATOM 0 HB3 ASP A 730 12.343 6.224 -5.564 1.00 0.00 H new ATOM 217 N LEU A 731 10.521 6.549 -2.907 1.00 0.00 N ATOM 218 CA LEU A 731 10.675 6.738 -1.483 1.00 0.00 C ATOM 219 C LEU A 731 12.055 6.265 -1.039 1.00 0.00 C ATOM 220 O LEU A 731 12.295 5.073 -0.889 1.00 0.00 O ATOM 221 CB LEU A 731 9.557 5.988 -0.768 1.00 0.00 C ATOM 222 CG LEU A 731 9.372 6.330 0.698 1.00 0.00 C ATOM 223 CD1 LEU A 731 9.434 7.831 0.919 1.00 0.00 C ATOM 224 CD2 LEU A 731 8.047 5.783 1.202 1.00 0.00 C ATOM 0 H LEU A 731 10.233 5.609 -3.178 1.00 0.00 H new ATOM 0 HA LEU A 731 10.601 7.795 -1.228 1.00 0.00 H new ATOM 0 HB2 LEU A 731 8.620 6.185 -1.290 1.00 0.00 H new ATOM 0 HB3 LEU A 731 9.750 4.918 -0.852 1.00 0.00 H new ATOM 0 HG LEU A 731 10.185 5.868 1.259 1.00 0.00 H new ATOM 0 HD11 LEU A 731 9.298 8.049 1.978 1.00 0.00 H new ATOM 0 HD12 LEU A 731 10.404 8.207 0.592 1.00 0.00 H new ATOM 0 HD13 LEU A 731 8.645 8.316 0.345 1.00 0.00 H new ATOM 0 HD21 LEU A 731 7.926 6.035 2.256 1.00 0.00 H new ATOM 0 HD22 LEU A 731 7.231 6.221 0.628 1.00 0.00 H new ATOM 0 HD23 LEU A 731 8.032 4.699 1.084 1.00 0.00 H new ATOM 236 N LYS A 732 12.958 7.219 -0.849 1.00 0.00 N ATOM 237 CA LYS A 732 14.364 6.921 -0.593 1.00 0.00 C ATOM 238 C LYS A 732 14.615 6.545 0.866 1.00 0.00 C ATOM 239 O LYS A 732 14.488 7.374 1.769 1.00 0.00 O ATOM 240 CB LYS A 732 15.231 8.119 -0.983 1.00 0.00 C ATOM 241 CG LYS A 732 15.053 8.543 -2.431 1.00 0.00 C ATOM 242 CD LYS A 732 15.417 7.422 -3.388 1.00 0.00 C ATOM 243 CE LYS A 732 15.112 7.782 -4.831 1.00 0.00 C ATOM 244 NZ LYS A 732 16.001 8.854 -5.350 1.00 0.00 N ATOM 0 H LYS A 732 12.740 8.215 -0.868 1.00 0.00 H new ATOM 0 HA LYS A 732 14.634 6.059 -1.203 1.00 0.00 H new ATOM 0 HB2 LYS A 732 14.990 8.960 -0.333 1.00 0.00 H new ATOM 0 HB3 LYS A 732 16.279 7.872 -0.810 1.00 0.00 H new ATOM 0 HG2 LYS A 732 14.019 8.844 -2.598 1.00 0.00 H new ATOM 0 HG3 LYS A 732 15.676 9.414 -2.635 1.00 0.00 H new ATOM 0 HD2 LYS A 732 16.478 7.191 -3.289 1.00 0.00 H new ATOM 0 HD3 LYS A 732 14.868 6.521 -3.116 1.00 0.00 H new ATOM 0 HE2 LYS A 732 15.217 6.894 -5.454 1.00 0.00 H new ATOM 0 HE3 LYS A 732 14.074 8.105 -4.910 1.00 0.00 H new ATOM 0 HZ1 LYS A 732 15.752 9.063 -6.338 1.00 0.00 H new ATOM 0 HZ2 LYS A 732 15.883 9.712 -4.774 1.00 0.00 H new ATOM 0 HZ3 LYS A 732 16.991 8.538 -5.301 1.00 0.00 H new ATOM 258 N LEU A 733 14.970 5.287 1.080 1.00 0.00 N ATOM 259 CA LEU A 733 15.306 4.775 2.403 1.00 0.00 C ATOM 260 C LEU A 733 16.772 4.391 2.478 1.00 0.00 C ATOM 261 O LEU A 733 17.446 4.218 1.456 1.00 0.00 O ATOM 262 CB LEU A 733 14.470 3.537 2.741 1.00 0.00 C ATOM 263 CG LEU A 733 13.178 3.782 3.515 1.00 0.00 C ATOM 264 CD1 LEU A 733 12.329 4.821 2.835 1.00 0.00 C ATOM 265 CD2 LEU A 733 12.423 2.481 3.683 1.00 0.00 C ATOM 0 H LEU A 733 15.034 4.589 0.339 1.00 0.00 H new ATOM 0 HA LEU A 733 15.093 5.571 3.117 1.00 0.00 H new ATOM 0 HB2 LEU A 733 14.219 3.029 1.810 1.00 0.00 H new ATOM 0 HB3 LEU A 733 15.091 2.853 3.320 1.00 0.00 H new ATOM 0 HG LEU A 733 13.430 4.166 4.503 1.00 0.00 H new ATOM 0 HD11 LEU A 733 11.415 4.976 3.408 1.00 0.00 H new ATOM 0 HD12 LEU A 733 12.881 5.759 2.773 1.00 0.00 H new ATOM 0 HD13 LEU A 733 12.075 4.483 1.831 1.00 0.00 H new ATOM 0 HD21 LEU A 733 11.502 2.664 4.236 1.00 0.00 H new ATOM 0 HD22 LEU A 733 12.182 2.071 2.702 1.00 0.00 H new ATOM 0 HD23 LEU A 733 13.041 1.770 4.232 1.00 0.00 H new ATOM 277 N CYS A 734 17.246 4.250 3.698 1.00 0.00 N ATOM 278 CA CYS A 734 18.578 3.751 3.962 1.00 0.00 C ATOM 279 C CYS A 734 18.467 2.312 4.453 1.00 0.00 C ATOM 280 O CYS A 734 17.379 1.737 4.471 1.00 0.00 O ATOM 281 CB CYS A 734 19.280 4.643 4.999 1.00 0.00 C ATOM 282 SG CYS A 734 20.982 4.168 5.397 1.00 0.00 S ATOM 0 H CYS A 734 16.715 4.480 4.538 1.00 0.00 H new ATOM 0 HA CYS A 734 19.178 3.772 3.052 1.00 0.00 H new ATOM 0 HB2 CYS A 734 19.283 5.669 4.630 1.00 0.00 H new ATOM 0 HB3 CYS A 734 18.693 4.636 5.918 1.00 0.00 H new ATOM 0 HG CYS A 734 21.809 4.909 4.721 1.00 0.00 H new ATOM 288 N LEU A 735 19.578 1.732 4.839 1.00 0.00 N ATOM 289 CA LEU A 735 19.596 0.362 5.288 1.00 0.00 C ATOM 290 C LEU A 735 18.960 0.223 6.655 1.00 0.00 C ATOM 291 O LEU A 735 19.280 0.965 7.587 1.00 0.00 O ATOM 292 CB LEU A 735 21.021 -0.145 5.294 1.00 0.00 C ATOM 293 CG LEU A 735 21.245 -1.506 5.947 1.00 0.00 C ATOM 294 CD1 LEU A 735 20.590 -2.598 5.123 1.00 0.00 C ATOM 295 CD2 LEU A 735 22.729 -1.775 6.122 1.00 0.00 C ATOM 0 H LEU A 735 20.488 2.193 4.851 1.00 0.00 H new ATOM 0 HA LEU A 735 19.007 -0.243 4.599 1.00 0.00 H new ATOM 0 HB2 LEU A 735 21.371 -0.197 4.263 1.00 0.00 H new ATOM 0 HB3 LEU A 735 21.644 0.588 5.806 1.00 0.00 H new ATOM 0 HG LEU A 735 20.785 -1.500 6.935 1.00 0.00 H new ATOM 0 HD11 LEU A 735 20.757 -3.564 5.600 1.00 0.00 H new ATOM 0 HD12 LEU A 735 19.519 -2.408 5.054 1.00 0.00 H new ATOM 0 HD13 LEU A 735 21.022 -2.608 4.122 1.00 0.00 H new ATOM 0 HD21 LEU A 735 22.869 -2.750 6.589 1.00 0.00 H new ATOM 0 HD22 LEU A 735 23.218 -1.766 5.148 1.00 0.00 H new ATOM 0 HD23 LEU A 735 23.167 -1.003 6.755 1.00 0.00 H new ATOM 307 N GLY A 736 18.048 -0.724 6.759 1.00 0.00 N ATOM 308 CA GLY A 736 17.334 -0.929 8.000 1.00 0.00 C ATOM 309 C GLY A 736 16.227 0.084 8.179 1.00 0.00 C ATOM 310 O GLY A 736 15.567 0.120 9.220 1.00 0.00 O ATOM 0 H GLY A 736 17.787 -1.358 6.004 1.00 0.00 H new ATOM 0 HA2 GLY A 736 16.914 -1.935 8.017 1.00 0.00 H new ATOM 0 HA3 GLY A 736 18.030 -0.860 8.836 1.00 0.00 H new ATOM 314 N ASP A 737 16.031 0.918 7.167 1.00 0.00 N ATOM 315 CA ASP A 737 14.979 1.935 7.214 1.00 0.00 C ATOM 316 C ASP A 737 13.605 1.337 6.938 1.00 0.00 C ATOM 317 O ASP A 737 13.479 0.323 6.250 1.00 0.00 O ATOM 318 CB ASP A 737 15.248 3.059 6.208 1.00 0.00 C ATOM 319 CG ASP A 737 15.661 4.357 6.871 1.00 0.00 C ATOM 320 OD1 ASP A 737 16.873 4.635 6.944 1.00 0.00 O ATOM 321 OD2 ASP A 737 14.770 5.114 7.311 1.00 0.00 O ATOM 0 H ASP A 737 16.580 0.914 6.307 1.00 0.00 H new ATOM 0 HA ASP A 737 14.988 2.345 8.224 1.00 0.00 H new ATOM 0 HB2 ASP A 737 16.032 2.743 5.519 1.00 0.00 H new ATOM 0 HB3 ASP A 737 14.351 3.230 5.613 1.00 0.00 H new ATOM 326 N HIS A 738 12.584 1.966 7.500 1.00 0.00 N ATOM 327 CA HIS A 738 11.204 1.655 7.176 1.00 0.00 C ATOM 328 C HIS A 738 10.619 2.887 6.510 1.00 0.00 C ATOM 329 O HIS A 738 11.175 3.978 6.649 1.00 0.00 O ATOM 330 CB HIS A 738 10.405 1.278 8.436 1.00 0.00 C ATOM 331 CG HIS A 738 10.012 2.440 9.306 1.00 0.00 C ATOM 332 ND1 HIS A 738 10.828 2.967 10.282 1.00 0.00 N ATOM 333 CD2 HIS A 738 8.869 3.171 9.344 1.00 0.00 C ATOM 334 CE1 HIS A 738 10.208 3.965 10.883 1.00 0.00 C ATOM 335 NE2 HIS A 738 9.019 4.110 10.332 1.00 0.00 N ATOM 0 H HIS A 738 12.691 2.706 8.193 1.00 0.00 H new ATOM 0 HA HIS A 738 11.153 0.793 6.510 1.00 0.00 H new ATOM 0 HB2 HIS A 738 9.502 0.749 8.131 1.00 0.00 H new ATOM 0 HB3 HIS A 738 10.997 0.582 9.030 1.00 0.00 H new ATOM 0 HD2 HIS A 738 8.002 3.038 8.713 1.00 0.00 H new ATOM 0 HE1 HIS A 738 10.607 4.562 11.690 1.00 0.00 H new ATOM 0 HE2 HIS A 738 8.324 4.807 10.598 1.00 0.00 H new ATOM 344 N SER A 739 9.519 2.748 5.802 1.00 0.00 N ATOM 345 CA SER A 739 9.017 3.882 5.043 1.00 0.00 C ATOM 346 C SER A 739 7.617 4.269 5.481 1.00 0.00 C ATOM 347 O SER A 739 6.974 3.567 6.261 1.00 0.00 O ATOM 348 CB SER A 739 9.032 3.595 3.540 1.00 0.00 C ATOM 349 OG SER A 739 7.867 2.911 3.127 1.00 0.00 O ATOM 0 H SER A 739 8.968 1.893 5.733 1.00 0.00 H new ATOM 0 HA SER A 739 9.685 4.720 5.245 1.00 0.00 H new ATOM 0 HB2 SER A 739 9.117 4.533 2.991 1.00 0.00 H new ATOM 0 HB3 SER A 739 9.911 3.000 3.292 1.00 0.00 H new ATOM 0 HG SER A 739 7.239 3.547 2.725 1.00 0.00 H new ATOM 355 N SER A 740 7.157 5.392 4.960 1.00 0.00 N ATOM 356 CA SER A 740 5.825 5.880 5.231 1.00 0.00 C ATOM 357 C SER A 740 5.201 6.407 3.945 1.00 0.00 C ATOM 358 O SER A 740 5.496 7.516 3.491 1.00 0.00 O ATOM 359 CB SER A 740 5.858 6.960 6.320 1.00 0.00 C ATOM 360 OG SER A 740 6.908 7.889 6.097 1.00 0.00 O ATOM 0 H SER A 740 7.700 5.989 4.337 1.00 0.00 H new ATOM 0 HA SER A 740 5.210 5.060 5.602 1.00 0.00 H new ATOM 0 HB2 SER A 740 4.904 7.486 6.342 1.00 0.00 H new ATOM 0 HB3 SER A 740 5.986 6.491 7.296 1.00 0.00 H new ATOM 0 HG SER A 740 6.905 8.167 5.157 1.00 0.00 H new ATOM 366 N VAL A 741 4.351 5.586 3.361 1.00 0.00 N ATOM 367 CA VAL A 741 3.678 5.910 2.124 1.00 0.00 C ATOM 368 C VAL A 741 2.199 6.148 2.394 1.00 0.00 C ATOM 369 O VAL A 741 1.445 5.226 2.703 1.00 0.00 O ATOM 370 CB VAL A 741 3.889 4.800 1.064 1.00 0.00 C ATOM 371 CG1 VAL A 741 3.873 3.420 1.703 1.00 0.00 C ATOM 372 CG2 VAL A 741 2.844 4.881 -0.041 1.00 0.00 C ATOM 0 H VAL A 741 4.108 4.669 3.736 1.00 0.00 H new ATOM 0 HA VAL A 741 4.109 6.825 1.717 1.00 0.00 H new ATOM 0 HB VAL A 741 4.870 4.962 0.618 1.00 0.00 H new ATOM 0 HG11 VAL A 741 4.023 2.662 0.935 1.00 0.00 H new ATOM 0 HG12 VAL A 741 4.672 3.352 2.442 1.00 0.00 H new ATOM 0 HG13 VAL A 741 2.912 3.256 2.191 1.00 0.00 H new ATOM 0 HG21 VAL A 741 3.021 4.088 -0.768 1.00 0.00 H new ATOM 0 HG22 VAL A 741 1.850 4.763 0.389 1.00 0.00 H new ATOM 0 HG23 VAL A 741 2.913 5.849 -0.536 1.00 0.00 H new ATOM 382 N PRO A 742 1.778 7.409 2.321 1.00 0.00 N ATOM 383 CA PRO A 742 0.409 7.789 2.600 1.00 0.00 C ATOM 384 C PRO A 742 -0.510 7.445 1.446 1.00 0.00 C ATOM 385 O PRO A 742 -0.146 7.621 0.287 1.00 0.00 O ATOM 386 CB PRO A 742 0.471 9.307 2.813 1.00 0.00 C ATOM 387 CG PRO A 742 1.871 9.737 2.490 1.00 0.00 C ATOM 388 CD PRO A 742 2.603 8.553 1.935 1.00 0.00 C ATOM 0 HA PRO A 742 0.007 7.259 3.464 1.00 0.00 H new ATOM 0 HB2 PRO A 742 -0.247 9.816 2.170 1.00 0.00 H new ATOM 0 HB3 PRO A 742 0.216 9.563 3.841 1.00 0.00 H new ATOM 0 HG2 PRO A 742 1.862 10.553 1.767 1.00 0.00 H new ATOM 0 HG3 PRO A 742 2.371 10.109 3.384 1.00 0.00 H new ATOM 0 HD2 PRO A 742 2.708 8.621 0.852 1.00 0.00 H new ATOM 0 HD3 PRO A 742 3.609 8.477 2.349 1.00 0.00 H new ATOM 396 N VAL A 743 -1.681 6.923 1.757 1.00 0.00 N ATOM 397 CA VAL A 743 -2.671 6.645 0.737 1.00 0.00 C ATOM 398 C VAL A 743 -4.044 7.192 1.106 1.00 0.00 C ATOM 399 O VAL A 743 -4.639 6.817 2.114 1.00 0.00 O ATOM 400 CB VAL A 743 -2.783 5.142 0.418 1.00 0.00 C ATOM 401 CG1 VAL A 743 -2.796 4.322 1.684 1.00 0.00 C ATOM 402 CG2 VAL A 743 -4.011 4.859 -0.423 1.00 0.00 C ATOM 0 H VAL A 743 -1.969 6.684 2.706 1.00 0.00 H new ATOM 0 HA VAL A 743 -2.319 7.159 -0.158 1.00 0.00 H new ATOM 0 HB VAL A 743 -1.905 4.854 -0.160 1.00 0.00 H new ATOM 0 HG11 VAL A 743 -2.876 3.265 1.432 1.00 0.00 H new ATOM 0 HG12 VAL A 743 -1.874 4.494 2.239 1.00 0.00 H new ATOM 0 HG13 VAL A 743 -3.648 4.614 2.298 1.00 0.00 H new ATOM 0 HG21 VAL A 743 -4.068 3.791 -0.635 1.00 0.00 H new ATOM 0 HG22 VAL A 743 -4.904 5.169 0.120 1.00 0.00 H new ATOM 0 HG23 VAL A 743 -3.946 5.412 -1.360 1.00 0.00 H new ATOM 412 N ALA A 744 -4.529 8.095 0.282 1.00 0.00 N ATOM 413 CA ALA A 744 -5.896 8.548 0.361 1.00 0.00 C ATOM 414 C ALA A 744 -6.773 7.527 -0.326 1.00 0.00 C ATOM 415 O ALA A 744 -6.931 7.514 -1.548 1.00 0.00 O ATOM 416 CB ALA A 744 -6.049 9.927 -0.239 1.00 0.00 C ATOM 0 H ALA A 744 -3.985 8.534 -0.461 1.00 0.00 H new ATOM 0 HA ALA A 744 -6.202 8.637 1.403 1.00 0.00 H new ATOM 0 HB1 ALA A 744 -7.090 10.242 -0.165 1.00 0.00 H new ATOM 0 HB2 ALA A 744 -5.417 10.631 0.302 1.00 0.00 H new ATOM 0 HB3 ALA A 744 -5.750 9.903 -1.287 1.00 0.00 H new ATOM 422 N LEU A 745 -7.308 6.653 0.489 1.00 0.00 N ATOM 423 CA LEU A 745 -7.975 5.462 0.028 1.00 0.00 C ATOM 424 C LEU A 745 -9.328 5.783 -0.580 1.00 0.00 C ATOM 425 O LEU A 745 -9.916 6.832 -0.314 1.00 0.00 O ATOM 426 CB LEU A 745 -8.107 4.510 1.204 1.00 0.00 C ATOM 427 CG LEU A 745 -6.817 4.368 2.008 1.00 0.00 C ATOM 428 CD1 LEU A 745 -7.096 4.452 3.487 1.00 0.00 C ATOM 429 CD2 LEU A 745 -6.106 3.070 1.670 1.00 0.00 C ATOM 0 H LEU A 745 -7.292 6.750 1.504 1.00 0.00 H new ATOM 0 HA LEU A 745 -7.388 4.994 -0.762 1.00 0.00 H new ATOM 0 HB2 LEU A 745 -8.901 4.863 1.862 1.00 0.00 H new ATOM 0 HB3 LEU A 745 -8.409 3.529 0.837 1.00 0.00 H new ATOM 0 HG LEU A 745 -6.160 5.194 1.737 1.00 0.00 H new ATOM 0 HD11 LEU A 745 -6.162 4.348 4.040 1.00 0.00 H new ATOM 0 HD12 LEU A 745 -7.549 5.416 3.718 1.00 0.00 H new ATOM 0 HD13 LEU A 745 -7.779 3.652 3.774 1.00 0.00 H new ATOM 0 HD21 LEU A 745 -5.190 2.993 2.256 1.00 0.00 H new ATOM 0 HD22 LEU A 745 -6.757 2.227 1.902 1.00 0.00 H new ATOM 0 HD23 LEU A 745 -5.859 3.056 0.608 1.00 0.00 H new ATOM 441 N LYS A 746 -9.815 4.868 -1.392 1.00 0.00 N ATOM 442 CA LYS A 746 -11.037 5.074 -2.129 1.00 0.00 C ATOM 443 C LYS A 746 -12.100 4.104 -1.653 1.00 0.00 C ATOM 444 O LYS A 746 -11.799 2.982 -1.261 1.00 0.00 O ATOM 445 CB LYS A 746 -10.774 4.915 -3.605 1.00 0.00 C ATOM 446 CG LYS A 746 -11.836 5.553 -4.475 1.00 0.00 C ATOM 447 CD LYS A 746 -12.866 4.550 -4.940 1.00 0.00 C ATOM 448 CE LYS A 746 -13.995 5.248 -5.664 1.00 0.00 C ATOM 449 NZ LYS A 746 -13.533 5.903 -6.919 1.00 0.00 N ATOM 0 H LYS A 746 -9.373 3.963 -1.557 1.00 0.00 H new ATOM 0 HA LYS A 746 -11.402 6.086 -1.954 1.00 0.00 H new ATOM 0 HB2 LYS A 746 -9.806 5.355 -3.844 1.00 0.00 H new ATOM 0 HB3 LYS A 746 -10.709 3.853 -3.843 1.00 0.00 H new ATOM 0 HG2 LYS A 746 -12.331 6.349 -3.918 1.00 0.00 H new ATOM 0 HG3 LYS A 746 -11.364 6.016 -5.342 1.00 0.00 H new ATOM 0 HD2 LYS A 746 -12.399 3.820 -5.601 1.00 0.00 H new ATOM 0 HD3 LYS A 746 -13.259 4.000 -4.085 1.00 0.00 H new ATOM 0 HE2 LYS A 746 -14.777 4.525 -5.899 1.00 0.00 H new ATOM 0 HE3 LYS A 746 -14.439 5.996 -5.007 1.00 0.00 H new ATOM 0 HZ1 LYS A 746 -14.356 6.237 -7.460 1.00 0.00 H new ATOM 0 HZ2 LYS A 746 -12.922 6.711 -6.684 1.00 0.00 H new ATOM 0 HZ3 LYS A 746 -12.998 5.219 -7.491 1.00 0.00 H new ATOM 463 N GLY A 747 -13.336 4.536 -1.696 1.00 0.00 N ATOM 464 CA GLY A 747 -14.403 3.735 -1.149 1.00 0.00 C ATOM 465 C GLY A 747 -14.667 4.111 0.284 1.00 0.00 C ATOM 466 O GLY A 747 -13.751 4.149 1.103 1.00 0.00 O ATOM 0 H GLY A 747 -13.626 5.427 -2.099 1.00 0.00 H new ATOM 0 HA2 GLY A 747 -15.309 3.874 -1.740 1.00 0.00 H new ATOM 0 HA3 GLY A 747 -14.141 2.679 -1.211 1.00 0.00 H new ATOM 470 N GLN A 748 -15.910 4.393 0.590 1.00 0.00 N ATOM 471 CA GLN A 748 -16.253 4.950 1.889 1.00 0.00 C ATOM 472 C GLN A 748 -16.828 3.900 2.826 1.00 0.00 C ATOM 473 O GLN A 748 -17.786 3.202 2.491 1.00 0.00 O ATOM 474 CB GLN A 748 -17.236 6.114 1.749 1.00 0.00 C ATOM 475 CG GLN A 748 -16.708 7.296 0.944 1.00 0.00 C ATOM 476 CD GLN A 748 -16.671 7.039 -0.553 1.00 0.00 C ATOM 477 OE1 GLN A 748 -17.482 6.280 -1.089 1.00 0.00 O ATOM 478 NE2 GLN A 748 -15.726 7.665 -1.237 1.00 0.00 N ATOM 0 H GLN A 748 -16.703 4.249 -0.035 1.00 0.00 H new ATOM 0 HA GLN A 748 -15.325 5.320 2.325 1.00 0.00 H new ATOM 0 HB2 GLN A 748 -18.148 5.748 1.277 1.00 0.00 H new ATOM 0 HB3 GLN A 748 -17.510 6.463 2.745 1.00 0.00 H new ATOM 0 HG2 GLN A 748 -17.333 8.167 1.140 1.00 0.00 H new ATOM 0 HG3 GLN A 748 -15.703 7.540 1.288 1.00 0.00 H new ATOM 0 HE21 GLN A 748 -15.074 8.285 -0.756 1.00 0.00 H new ATOM 0 HE22 GLN A 748 -15.650 7.527 -2.245 1.00 0.00 H new ATOM 487 N GLY A 749 -16.235 3.813 4.005 1.00 0.00 N ATOM 488 CA GLY A 749 -16.675 2.869 5.008 1.00 0.00 C ATOM 489 C GLY A 749 -15.651 1.802 5.261 1.00 0.00 C ATOM 490 O GLY A 749 -14.583 1.835 4.675 1.00 0.00 O ATOM 0 H GLY A 749 -15.443 4.390 4.288 1.00 0.00 H new ATOM 0 HA2 GLY A 749 -16.885 3.398 5.937 1.00 0.00 H new ATOM 0 HA3 GLY A 749 -17.609 2.407 4.687 1.00 0.00 H new ATOM 494 N PRO A 750 -15.967 0.835 6.127 1.00 0.00 N ATOM 495 CA PRO A 750 -15.052 -0.245 6.516 1.00 0.00 C ATOM 496 C PRO A 750 -14.705 -1.199 5.372 1.00 0.00 C ATOM 497 O PRO A 750 -15.427 -2.163 5.102 1.00 0.00 O ATOM 498 CB PRO A 750 -15.855 -0.964 7.595 1.00 0.00 C ATOM 499 CG PRO A 750 -17.255 -0.730 7.189 1.00 0.00 C ATOM 500 CD PRO A 750 -17.264 0.702 6.812 1.00 0.00 C ATOM 0 HA PRO A 750 -14.081 0.133 6.837 1.00 0.00 H new ATOM 0 HB2 PRO A 750 -15.619 -2.028 7.631 1.00 0.00 H new ATOM 0 HB3 PRO A 750 -15.650 -0.559 8.586 1.00 0.00 H new ATOM 0 HG2 PRO A 750 -17.544 -1.368 6.354 1.00 0.00 H new ATOM 0 HG3 PRO A 750 -17.950 -0.936 8.003 1.00 0.00 H new ATOM 0 HD2 PRO A 750 -18.100 0.948 6.158 1.00 0.00 H new ATOM 0 HD3 PRO A 750 -17.337 1.355 7.682 1.00 0.00 H new ATOM 508 N PHE A 751 -13.590 -0.933 4.716 1.00 0.00 N ATOM 509 CA PHE A 751 -13.122 -1.776 3.627 1.00 0.00 C ATOM 510 C PHE A 751 -11.816 -2.472 3.997 1.00 0.00 C ATOM 511 O PHE A 751 -10.978 -1.905 4.690 1.00 0.00 O ATOM 512 CB PHE A 751 -12.938 -0.941 2.358 1.00 0.00 C ATOM 513 CG PHE A 751 -14.238 -0.517 1.737 1.00 0.00 C ATOM 514 CD1 PHE A 751 -14.703 0.778 1.871 1.00 0.00 C ATOM 515 CD2 PHE A 751 -15.001 -1.423 1.023 1.00 0.00 C ATOM 516 CE1 PHE A 751 -15.903 1.157 1.304 1.00 0.00 C ATOM 517 CE2 PHE A 751 -16.202 -1.047 0.453 1.00 0.00 C ATOM 518 CZ PHE A 751 -16.653 0.245 0.595 1.00 0.00 C ATOM 0 H PHE A 751 -12.988 -0.135 4.919 1.00 0.00 H new ATOM 0 HA PHE A 751 -13.873 -2.544 3.441 1.00 0.00 H new ATOM 0 HB2 PHE A 751 -12.350 -0.055 2.596 1.00 0.00 H new ATOM 0 HB3 PHE A 751 -12.366 -1.517 1.631 1.00 0.00 H new ATOM 0 HD1 PHE A 751 -14.122 1.500 2.425 1.00 0.00 H new ATOM 0 HD2 PHE A 751 -14.653 -2.439 0.909 1.00 0.00 H new ATOM 0 HE1 PHE A 751 -16.255 2.172 1.417 1.00 0.00 H new ATOM 0 HE2 PHE A 751 -16.786 -1.766 -0.103 1.00 0.00 H new ATOM 0 HZ PHE A 751 -17.592 0.543 0.152 1.00 0.00 H new ATOM 528 N THR A 752 -11.645 -3.706 3.546 1.00 0.00 N ATOM 529 CA THR A 752 -10.410 -4.430 3.813 1.00 0.00 C ATOM 530 C THR A 752 -9.421 -4.145 2.705 1.00 0.00 C ATOM 531 O THR A 752 -9.594 -4.588 1.574 1.00 0.00 O ATOM 532 CB THR A 752 -10.634 -5.951 3.974 1.00 0.00 C ATOM 533 OG1 THR A 752 -11.592 -6.188 5.016 1.00 0.00 O ATOM 534 CG2 THR A 752 -9.332 -6.662 4.304 1.00 0.00 C ATOM 0 H THR A 752 -12.335 -4.222 3.000 1.00 0.00 H new ATOM 0 HA THR A 752 -10.012 -4.080 4.766 1.00 0.00 H new ATOM 0 HB THR A 752 -11.010 -6.346 3.030 1.00 0.00 H new ATOM 0 HG1 THR A 752 -12.497 -6.048 4.667 1.00 0.00 H new ATOM 0 HG21 THR A 752 -9.518 -7.731 4.412 1.00 0.00 H new ATOM 0 HG22 THR A 752 -8.614 -6.498 3.500 1.00 0.00 H new ATOM 0 HG23 THR A 752 -8.929 -6.268 5.237 1.00 0.00 H new ATOM 542 N LEU A 753 -8.409 -3.366 3.036 1.00 0.00 N ATOM 543 CA LEU A 753 -7.478 -2.858 2.058 1.00 0.00 C ATOM 544 C LEU A 753 -6.207 -3.711 2.042 1.00 0.00 C ATOM 545 O LEU A 753 -5.447 -3.733 3.013 1.00 0.00 O ATOM 546 CB LEU A 753 -7.169 -1.400 2.402 1.00 0.00 C ATOM 547 CG LEU A 753 -6.543 -0.554 1.295 1.00 0.00 C ATOM 548 CD1 LEU A 753 -5.095 -0.247 1.619 1.00 0.00 C ATOM 549 CD2 LEU A 753 -6.658 -1.226 -0.066 1.00 0.00 C ATOM 0 H LEU A 753 -8.213 -3.070 3.992 1.00 0.00 H new ATOM 0 HA LEU A 753 -7.911 -2.907 1.059 1.00 0.00 H new ATOM 0 HB2 LEU A 753 -8.096 -0.920 2.715 1.00 0.00 H new ATOM 0 HB3 LEU A 753 -6.498 -1.387 3.261 1.00 0.00 H new ATOM 0 HG LEU A 753 -7.098 0.382 1.242 1.00 0.00 H new ATOM 0 HD11 LEU A 753 -4.664 0.356 0.820 1.00 0.00 H new ATOM 0 HD12 LEU A 753 -5.041 0.303 2.559 1.00 0.00 H new ATOM 0 HD13 LEU A 753 -4.537 -1.179 1.711 1.00 0.00 H new ATOM 0 HD21 LEU A 753 -6.201 -0.591 -0.825 1.00 0.00 H new ATOM 0 HD22 LEU A 753 -6.146 -2.188 -0.041 1.00 0.00 H new ATOM 0 HD23 LEU A 753 -7.710 -1.380 -0.308 1.00 0.00 H new ATOM 561 N THR A 754 -6.000 -4.429 0.946 1.00 0.00 N ATOM 562 CA THR A 754 -4.845 -5.300 0.796 1.00 0.00 C ATOM 563 C THR A 754 -3.861 -4.748 -0.230 1.00 0.00 C ATOM 564 O THR A 754 -4.266 -4.319 -1.318 1.00 0.00 O ATOM 565 CB THR A 754 -5.268 -6.696 0.335 1.00 0.00 C ATOM 566 OG1 THR A 754 -6.498 -7.083 0.965 1.00 0.00 O ATOM 567 CG2 THR A 754 -4.184 -7.685 0.685 1.00 0.00 C ATOM 0 H THR A 754 -6.625 -4.423 0.140 1.00 0.00 H new ATOM 0 HA THR A 754 -4.367 -5.354 1.774 1.00 0.00 H new ATOM 0 HB THR A 754 -5.421 -6.682 -0.744 1.00 0.00 H new ATOM 0 HG1 THR A 754 -6.330 -7.827 1.581 1.00 0.00 H new ATOM 0 HG21 THR A 754 -4.481 -8.681 0.358 1.00 0.00 H new ATOM 0 HG22 THR A 754 -3.257 -7.401 0.186 1.00 0.00 H new ATOM 0 HG23 THR A 754 -4.029 -7.688 1.764 1.00 0.00 H new ATOM 575 N TYR A 755 -2.573 -4.774 0.099 1.00 0.00 N ATOM 576 CA TYR A 755 -1.550 -4.321 -0.828 1.00 0.00 C ATOM 577 C TYR A 755 -0.289 -5.177 -0.721 1.00 0.00 C ATOM 578 O TYR A 755 -0.041 -5.816 0.304 1.00 0.00 O ATOM 579 CB TYR A 755 -1.219 -2.843 -0.583 1.00 0.00 C ATOM 580 CG TYR A 755 -0.881 -2.515 0.856 1.00 0.00 C ATOM 581 CD1 TYR A 755 0.387 -2.741 1.371 1.00 0.00 C ATOM 582 CD2 TYR A 755 -1.839 -1.976 1.696 1.00 0.00 C ATOM 583 CE1 TYR A 755 0.684 -2.439 2.686 1.00 0.00 C ATOM 584 CE2 TYR A 755 -1.552 -1.669 3.010 1.00 0.00 C ATOM 585 CZ TYR A 755 -0.285 -1.903 3.501 1.00 0.00 C ATOM 586 OH TYR A 755 0.017 -1.604 4.810 1.00 0.00 O ATOM 0 H TYR A 755 -2.217 -5.103 0.997 1.00 0.00 H new ATOM 0 HA TYR A 755 -1.943 -4.427 -1.839 1.00 0.00 H new ATOM 0 HB2 TYR A 755 -0.378 -2.561 -1.216 1.00 0.00 H new ATOM 0 HB3 TYR A 755 -2.069 -2.235 -0.893 1.00 0.00 H new ATOM 0 HD1 TYR A 755 1.153 -3.159 0.735 1.00 0.00 H new ATOM 0 HD2 TYR A 755 -2.833 -1.792 1.315 1.00 0.00 H new ATOM 0 HE1 TYR A 755 1.675 -2.624 3.073 1.00 0.00 H new ATOM 0 HE2 TYR A 755 -2.314 -1.248 3.649 1.00 0.00 H new ATOM 0 HH TYR A 755 -0.116 -2.400 5.366 1.00 0.00 H new ATOM 596 N ASP A 756 0.494 -5.179 -1.790 1.00 0.00 N ATOM 597 CA ASP A 756 1.736 -5.938 -1.847 1.00 0.00 C ATOM 598 C ASP A 756 2.927 -5.008 -1.973 1.00 0.00 C ATOM 599 O ASP A 756 3.022 -4.230 -2.923 1.00 0.00 O ATOM 600 CB ASP A 756 1.751 -6.901 -3.040 1.00 0.00 C ATOM 601 CG ASP A 756 1.033 -8.210 -2.784 1.00 0.00 C ATOM 602 OD1 ASP A 756 0.951 -8.643 -1.620 1.00 0.00 O ATOM 603 OD2 ASP A 756 0.568 -8.835 -3.766 1.00 0.00 O ATOM 0 H ASP A 756 0.287 -4.656 -2.641 1.00 0.00 H new ATOM 0 HA ASP A 756 1.801 -6.509 -0.921 1.00 0.00 H new ATOM 0 HB2 ASP A 756 1.292 -6.408 -3.897 1.00 0.00 H new ATOM 0 HB3 ASP A 756 2.786 -7.113 -3.310 1.00 0.00 H new ATOM 608 N ILE A 757 3.825 -5.078 -1.009 1.00 0.00 N ATOM 609 CA ILE A 757 5.126 -4.456 -1.145 1.00 0.00 C ATOM 610 C ILE A 757 6.026 -5.430 -1.883 1.00 0.00 C ATOM 611 O ILE A 757 6.621 -6.320 -1.283 1.00 0.00 O ATOM 612 CB ILE A 757 5.746 -4.097 0.231 1.00 0.00 C ATOM 613 CG1 ILE A 757 5.027 -2.905 0.856 1.00 0.00 C ATOM 614 CG2 ILE A 757 7.234 -3.812 0.116 1.00 0.00 C ATOM 615 CD1 ILE A 757 3.769 -3.271 1.610 1.00 0.00 C ATOM 0 H ILE A 757 3.676 -5.560 -0.123 1.00 0.00 H new ATOM 0 HA ILE A 757 5.021 -3.521 -1.696 1.00 0.00 H new ATOM 0 HB ILE A 757 5.619 -4.963 0.881 1.00 0.00 H new ATOM 0 HG12 ILE A 757 5.711 -2.397 1.536 1.00 0.00 H new ATOM 0 HG13 ILE A 757 4.773 -2.194 0.070 1.00 0.00 H new ATOM 0 HG21 ILE A 757 7.634 -3.564 1.099 1.00 0.00 H new ATOM 0 HG22 ILE A 757 7.744 -4.694 -0.272 1.00 0.00 H new ATOM 0 HG23 ILE A 757 7.393 -2.973 -0.562 1.00 0.00 H new ATOM 0 HD11 ILE A 757 3.317 -2.369 2.024 1.00 0.00 H new ATOM 0 HD12 ILE A 757 3.064 -3.751 0.931 1.00 0.00 H new ATOM 0 HD13 ILE A 757 4.017 -3.957 2.420 1.00 0.00 H new ATOM 627 N ILE A 758 6.120 -5.279 -3.186 1.00 0.00 N ATOM 628 CA ILE A 758 6.805 -6.265 -3.984 1.00 0.00 C ATOM 629 C ILE A 758 8.269 -5.917 -4.157 1.00 0.00 C ATOM 630 O ILE A 758 8.635 -4.753 -4.316 1.00 0.00 O ATOM 631 CB ILE A 758 6.110 -6.479 -5.342 1.00 0.00 C ATOM 632 CG1 ILE A 758 6.143 -5.225 -6.207 1.00 0.00 C ATOM 633 CG2 ILE A 758 4.677 -6.907 -5.110 1.00 0.00 C ATOM 634 CD1 ILE A 758 7.222 -5.252 -7.268 1.00 0.00 C ATOM 0 H ILE A 758 5.735 -4.492 -3.708 1.00 0.00 H new ATOM 0 HA ILE A 758 6.756 -7.211 -3.444 1.00 0.00 H new ATOM 0 HB ILE A 758 6.653 -7.257 -5.878 1.00 0.00 H new ATOM 0 HG12 ILE A 758 5.173 -5.100 -6.689 1.00 0.00 H new ATOM 0 HG13 ILE A 758 6.295 -4.356 -5.567 1.00 0.00 H new ATOM 0 HG21 ILE A 758 4.183 -7.059 -6.070 1.00 0.00 H new ATOM 0 HG22 ILE A 758 4.663 -7.838 -4.543 1.00 0.00 H new ATOM 0 HG23 ILE A 758 4.152 -6.133 -4.550 1.00 0.00 H new ATOM 0 HD11 ILE A 758 7.187 -4.328 -7.846 1.00 0.00 H new ATOM 0 HD12 ILE A 758 8.198 -5.346 -6.792 1.00 0.00 H new ATOM 0 HD13 ILE A 758 7.059 -6.101 -7.931 1.00 0.00 H new ATOM 646 N GLU A 759 9.100 -6.937 -4.104 1.00 0.00 N ATOM 647 CA GLU A 759 10.533 -6.757 -4.140 1.00 0.00 C ATOM 648 C GLU A 759 11.035 -6.864 -5.567 1.00 0.00 C ATOM 649 O GLU A 759 11.225 -7.962 -6.093 1.00 0.00 O ATOM 650 CB GLU A 759 11.212 -7.794 -3.252 1.00 0.00 C ATOM 651 CG GLU A 759 10.497 -8.003 -1.926 1.00 0.00 C ATOM 652 CD GLU A 759 11.378 -8.638 -0.868 1.00 0.00 C ATOM 653 OE1 GLU A 759 10.905 -9.559 -0.165 1.00 0.00 O ATOM 654 OE2 GLU A 759 12.545 -8.224 -0.736 1.00 0.00 O ATOM 0 H GLU A 759 8.801 -7.910 -4.035 1.00 0.00 H new ATOM 0 HA GLU A 759 10.777 -5.764 -3.762 1.00 0.00 H new ATOM 0 HB2 GLU A 759 11.262 -8.744 -3.785 1.00 0.00 H new ATOM 0 HB3 GLU A 759 12.239 -7.483 -3.059 1.00 0.00 H new ATOM 0 HG2 GLU A 759 10.135 -7.042 -1.560 1.00 0.00 H new ATOM 0 HG3 GLU A 759 9.622 -8.633 -2.087 1.00 0.00 H new ATOM 661 N THR A 760 11.266 -5.715 -6.177 1.00 0.00 N ATOM 662 CA THR A 760 11.662 -5.653 -7.571 1.00 0.00 C ATOM 663 C THR A 760 13.184 -5.734 -7.669 1.00 0.00 C ATOM 664 O THR A 760 13.765 -5.757 -8.756 1.00 0.00 O ATOM 665 CB THR A 760 11.114 -4.368 -8.238 1.00 0.00 C ATOM 666 OG1 THR A 760 11.766 -4.105 -9.486 1.00 0.00 O ATOM 667 CG2 THR A 760 11.259 -3.181 -7.312 1.00 0.00 C ATOM 0 H THR A 760 11.185 -4.805 -5.723 1.00 0.00 H new ATOM 0 HA THR A 760 11.236 -6.500 -8.109 1.00 0.00 H new ATOM 0 HB THR A 760 10.055 -4.530 -8.439 1.00 0.00 H new ATOM 0 HG1 THR A 760 12.537 -4.702 -9.585 1.00 0.00 H new ATOM 0 HG21 THR A 760 10.868 -2.289 -7.800 1.00 0.00 H new ATOM 0 HG22 THR A 760 10.702 -3.366 -6.394 1.00 0.00 H new ATOM 0 HG23 THR A 760 12.312 -3.032 -7.074 1.00 0.00 H new ATOM 675 N PHE A 761 13.818 -5.798 -6.501 1.00 0.00 N ATOM 676 CA PHE A 761 15.255 -5.989 -6.400 1.00 0.00 C ATOM 677 C PHE A 761 15.655 -7.334 -6.995 1.00 0.00 C ATOM 678 O PHE A 761 16.744 -7.480 -7.551 1.00 0.00 O ATOM 679 CB PHE A 761 15.677 -5.921 -4.930 1.00 0.00 C ATOM 680 CG PHE A 761 17.163 -5.947 -4.723 1.00 0.00 C ATOM 681 CD1 PHE A 761 17.943 -4.890 -5.153 1.00 0.00 C ATOM 682 CD2 PHE A 761 17.777 -7.018 -4.094 1.00 0.00 C ATOM 683 CE1 PHE A 761 19.311 -4.896 -4.961 1.00 0.00 C ATOM 684 CE2 PHE A 761 19.145 -7.034 -3.899 1.00 0.00 C ATOM 685 CZ PHE A 761 19.913 -5.971 -4.334 1.00 0.00 C ATOM 0 H PHE A 761 13.346 -5.718 -5.600 1.00 0.00 H new ATOM 0 HA PHE A 761 15.758 -5.200 -6.959 1.00 0.00 H new ATOM 0 HB2 PHE A 761 15.274 -5.010 -4.488 1.00 0.00 H new ATOM 0 HB3 PHE A 761 15.231 -6.759 -4.395 1.00 0.00 H new ATOM 0 HD1 PHE A 761 17.477 -4.049 -5.645 1.00 0.00 H new ATOM 0 HD2 PHE A 761 17.179 -7.850 -3.752 1.00 0.00 H new ATOM 0 HE1 PHE A 761 19.909 -4.063 -5.300 1.00 0.00 H new ATOM 0 HE2 PHE A 761 19.612 -7.875 -3.408 1.00 0.00 H new ATOM 0 HZ PHE A 761 20.983 -5.980 -4.184 1.00 0.00 H new ATOM 695 N SER A 762 14.774 -8.319 -6.864 1.00 0.00 N ATOM 696 CA SER A 762 15.018 -9.633 -7.419 1.00 0.00 C ATOM 697 C SER A 762 13.713 -10.291 -7.879 1.00 0.00 C ATOM 698 O SER A 762 13.246 -10.031 -8.987 1.00 0.00 O ATOM 699 CB SER A 762 15.744 -10.504 -6.399 1.00 0.00 C ATOM 700 OG SER A 762 16.980 -9.919 -6.023 1.00 0.00 O ATOM 0 H SER A 762 13.883 -8.226 -6.376 1.00 0.00 H new ATOM 0 HA SER A 762 15.654 -9.525 -8.298 1.00 0.00 H new ATOM 0 HB2 SER A 762 15.117 -10.638 -5.517 1.00 0.00 H new ATOM 0 HB3 SER A 762 15.919 -11.494 -6.819 1.00 0.00 H new ATOM 0 HG SER A 762 17.428 -10.493 -5.367 1.00 0.00 H new ATOM 706 N SER A 763 13.118 -11.131 -7.036 1.00 0.00 N ATOM 707 CA SER A 763 11.858 -11.792 -7.370 1.00 0.00 C ATOM 708 C SER A 763 11.105 -12.200 -6.103 1.00 0.00 C ATOM 709 O SER A 763 10.766 -13.368 -5.915 1.00 0.00 O ATOM 710 CB SER A 763 12.120 -13.021 -8.251 1.00 0.00 C ATOM 711 OG SER A 763 12.797 -12.660 -9.446 1.00 0.00 O ATOM 0 H SER A 763 13.488 -11.371 -6.116 1.00 0.00 H new ATOM 0 HA SER A 763 11.238 -11.087 -7.924 1.00 0.00 H new ATOM 0 HB2 SER A 763 12.715 -13.748 -7.698 1.00 0.00 H new ATOM 0 HB3 SER A 763 11.174 -13.504 -8.497 1.00 0.00 H new ATOM 0 HG SER A 763 12.953 -13.461 -9.988 1.00 0.00 H new ATOM 717 N LYS A 764 10.849 -11.233 -5.233 1.00 0.00 N ATOM 718 CA LYS A 764 10.135 -11.493 -3.989 1.00 0.00 C ATOM 719 C LYS A 764 8.966 -10.530 -3.849 1.00 0.00 C ATOM 720 O LYS A 764 8.792 -9.634 -4.679 1.00 0.00 O ATOM 721 CB LYS A 764 11.076 -11.356 -2.794 1.00 0.00 C ATOM 722 CG LYS A 764 12.352 -12.166 -2.916 1.00 0.00 C ATOM 723 CD LYS A 764 13.218 -12.034 -1.673 1.00 0.00 C ATOM 724 CE LYS A 764 14.559 -12.721 -1.858 1.00 0.00 C ATOM 725 NZ LYS A 764 15.427 -12.588 -0.660 1.00 0.00 N ATOM 0 H LYS A 764 11.125 -10.260 -5.365 1.00 0.00 H new ATOM 0 HA LYS A 764 9.753 -12.514 -4.013 1.00 0.00 H new ATOM 0 HB2 LYS A 764 11.336 -10.305 -2.668 1.00 0.00 H new ATOM 0 HB3 LYS A 764 10.548 -11.664 -1.892 1.00 0.00 H new ATOM 0 HG2 LYS A 764 12.104 -13.215 -3.078 1.00 0.00 H new ATOM 0 HG3 LYS A 764 12.914 -11.833 -3.789 1.00 0.00 H new ATOM 0 HD2 LYS A 764 13.376 -10.979 -1.448 1.00 0.00 H new ATOM 0 HD3 LYS A 764 12.699 -12.469 -0.818 1.00 0.00 H new ATOM 0 HE2 LYS A 764 14.398 -13.777 -2.072 1.00 0.00 H new ATOM 0 HE3 LYS A 764 15.068 -12.294 -2.722 1.00 0.00 H new ATOM 0 HZ1 LYS A 764 16.332 -13.072 -0.831 1.00 0.00 H new ATOM 0 HZ2 LYS A 764 15.604 -11.581 -0.469 1.00 0.00 H new ATOM 0 HZ3 LYS A 764 14.954 -13.018 0.161 1.00 0.00 H new ATOM 739 N ARG A 765 8.167 -10.706 -2.807 1.00 0.00 N ATOM 740 CA ARG A 765 7.010 -9.874 -2.582 1.00 0.00 C ATOM 741 C ARG A 765 6.486 -10.020 -1.150 1.00 0.00 C ATOM 742 O ARG A 765 6.458 -11.115 -0.589 1.00 0.00 O ATOM 743 CB ARG A 765 5.929 -10.228 -3.602 1.00 0.00 C ATOM 744 CG ARG A 765 4.538 -9.839 -3.169 1.00 0.00 C ATOM 745 CD ARG A 765 3.542 -9.939 -4.315 1.00 0.00 C ATOM 746 NE ARG A 765 3.385 -11.308 -4.802 1.00 0.00 N ATOM 747 CZ ARG A 765 2.212 -11.858 -5.124 1.00 0.00 C ATOM 748 NH1 ARG A 765 1.084 -11.174 -4.974 1.00 0.00 N ATOM 749 NH2 ARG A 765 2.169 -13.100 -5.587 1.00 0.00 N ATOM 0 H ARG A 765 8.307 -11.428 -2.100 1.00 0.00 H new ATOM 0 HA ARG A 765 7.296 -8.830 -2.711 1.00 0.00 H new ATOM 0 HB2 ARG A 765 6.157 -9.735 -4.547 1.00 0.00 H new ATOM 0 HB3 ARG A 765 5.955 -11.302 -3.789 1.00 0.00 H new ATOM 0 HG2 ARG A 765 4.218 -10.485 -2.351 1.00 0.00 H new ATOM 0 HG3 ARG A 765 4.549 -8.819 -2.784 1.00 0.00 H new ATOM 0 HD2 ARG A 765 2.574 -9.561 -3.985 1.00 0.00 H new ATOM 0 HD3 ARG A 765 3.871 -9.301 -5.135 1.00 0.00 H new ATOM 0 HE ARG A 765 4.224 -11.879 -4.902 1.00 0.00 H new ATOM 0 HH11 ARG A 765 1.110 -10.221 -4.610 1.00 0.00 H new ATOM 0 HH12 ARG A 765 0.192 -11.601 -5.222 1.00 0.00 H new ATOM 0 HH21 ARG A 765 3.031 -13.634 -5.697 1.00 0.00 H new ATOM 0 HH22 ARG A 765 1.274 -13.522 -5.833 1.00 0.00 H new ATOM 763 N LYS A 766 6.081 -8.899 -0.574 1.00 0.00 N ATOM 764 CA LYS A 766 5.520 -8.850 0.757 1.00 0.00 C ATOM 765 C LYS A 766 4.050 -8.482 0.646 1.00 0.00 C ATOM 766 O LYS A 766 3.663 -7.732 -0.238 1.00 0.00 O ATOM 767 CB LYS A 766 6.273 -7.818 1.611 1.00 0.00 C ATOM 768 CG LYS A 766 6.030 -7.951 3.112 1.00 0.00 C ATOM 769 CD LYS A 766 4.793 -7.194 3.568 1.00 0.00 C ATOM 770 CE LYS A 766 4.531 -7.392 5.053 1.00 0.00 C ATOM 771 NZ LYS A 766 4.090 -8.777 5.376 1.00 0.00 N ATOM 0 H LYS A 766 6.136 -7.988 -1.029 1.00 0.00 H new ATOM 0 HA LYS A 766 5.619 -9.822 1.241 1.00 0.00 H new ATOM 0 HB2 LYS A 766 7.341 -7.913 1.417 1.00 0.00 H new ATOM 0 HB3 LYS A 766 5.980 -6.817 1.294 1.00 0.00 H new ATOM 0 HG2 LYS A 766 5.923 -9.005 3.368 1.00 0.00 H new ATOM 0 HG3 LYS A 766 6.900 -7.579 3.653 1.00 0.00 H new ATOM 0 HD2 LYS A 766 4.918 -6.132 3.359 1.00 0.00 H new ATOM 0 HD3 LYS A 766 3.928 -7.532 2.997 1.00 0.00 H new ATOM 0 HE2 LYS A 766 5.438 -7.164 5.612 1.00 0.00 H new ATOM 0 HE3 LYS A 766 3.768 -6.686 5.381 1.00 0.00 H new ATOM 0 HZ1 LYS A 766 3.812 -8.828 6.377 1.00 0.00 H new ATOM 0 HZ2 LYS A 766 3.279 -9.031 4.777 1.00 0.00 H new ATOM 0 HZ3 LYS A 766 4.872 -9.440 5.200 1.00 0.00 H new ATOM 785 N THR A 767 3.246 -9.019 1.528 1.00 0.00 N ATOM 786 CA THR A 767 1.812 -8.779 1.507 1.00 0.00 C ATOM 787 C THR A 767 1.335 -8.213 2.842 1.00 0.00 C ATOM 788 O THR A 767 1.746 -8.686 3.902 1.00 0.00 O ATOM 789 CB THR A 767 1.066 -10.091 1.199 1.00 0.00 C ATOM 790 OG1 THR A 767 1.518 -10.610 -0.059 1.00 0.00 O ATOM 791 CG2 THR A 767 -0.442 -9.877 1.152 1.00 0.00 C ATOM 0 H THR A 767 3.558 -9.633 2.280 1.00 0.00 H new ATOM 0 HA THR A 767 1.598 -8.048 0.727 1.00 0.00 H new ATOM 0 HB THR A 767 1.280 -10.801 1.997 1.00 0.00 H new ATOM 0 HG1 THR A 767 1.736 -9.867 -0.660 1.00 0.00 H new ATOM 0 HG21 THR A 767 -0.937 -10.823 0.932 1.00 0.00 H new ATOM 0 HG22 THR A 767 -0.787 -9.502 2.116 1.00 0.00 H new ATOM 0 HG23 THR A 767 -0.683 -9.152 0.374 1.00 0.00 H new ATOM 799 N PHE A 768 0.494 -7.184 2.793 1.00 0.00 N ATOM 800 CA PHE A 768 -0.065 -6.603 3.996 1.00 0.00 C ATOM 801 C PHE A 768 -1.529 -6.261 3.767 1.00 0.00 C ATOM 802 O PHE A 768 -1.899 -5.739 2.713 1.00 0.00 O ATOM 803 CB PHE A 768 0.698 -5.341 4.382 1.00 0.00 C ATOM 804 CG PHE A 768 0.624 -5.020 5.845 1.00 0.00 C ATOM 805 CD1 PHE A 768 -0.567 -4.606 6.397 1.00 0.00 C ATOM 806 CD2 PHE A 768 1.736 -5.130 6.660 1.00 0.00 C ATOM 807 CE1 PHE A 768 -0.659 -4.304 7.740 1.00 0.00 C ATOM 808 CE2 PHE A 768 1.656 -4.831 8.006 1.00 0.00 C ATOM 809 CZ PHE A 768 0.455 -4.417 8.547 1.00 0.00 C ATOM 0 H PHE A 768 0.188 -6.739 1.928 1.00 0.00 H new ATOM 0 HA PHE A 768 0.020 -7.328 4.806 1.00 0.00 H new ATOM 0 HB2 PHE A 768 1.743 -5.457 4.096 1.00 0.00 H new ATOM 0 HB3 PHE A 768 0.303 -4.499 3.813 1.00 0.00 H new ATOM 0 HD1 PHE A 768 -1.442 -4.516 5.770 1.00 0.00 H new ATOM 0 HD2 PHE A 768 2.677 -5.453 6.239 1.00 0.00 H new ATOM 0 HE1 PHE A 768 -1.600 -3.980 8.159 1.00 0.00 H new ATOM 0 HE2 PHE A 768 2.530 -4.921 8.634 1.00 0.00 H new ATOM 0 HZ PHE A 768 0.387 -4.182 9.599 1.00 0.00 H new ATOM 819 N GLU A 769 -2.353 -6.557 4.751 1.00 0.00 N ATOM 820 CA GLU A 769 -3.774 -6.295 4.664 1.00 0.00 C ATOM 821 C GLU A 769 -4.275 -5.577 5.913 1.00 0.00 C ATOM 822 O GLU A 769 -3.949 -5.965 7.037 1.00 0.00 O ATOM 823 CB GLU A 769 -4.506 -7.614 4.474 1.00 0.00 C ATOM 824 CG GLU A 769 -6.017 -7.484 4.395 1.00 0.00 C ATOM 825 CD GLU A 769 -6.680 -8.773 3.972 1.00 0.00 C ATOM 826 OE1 GLU A 769 -6.711 -9.055 2.755 1.00 0.00 O ATOM 827 OE2 GLU A 769 -7.177 -9.506 4.846 1.00 0.00 O ATOM 0 H GLU A 769 -2.058 -6.984 5.629 1.00 0.00 H new ATOM 0 HA GLU A 769 -3.968 -5.643 3.813 1.00 0.00 H new ATOM 0 HB2 GLU A 769 -4.146 -8.088 3.561 1.00 0.00 H new ATOM 0 HB3 GLU A 769 -4.253 -8.279 5.300 1.00 0.00 H new ATOM 0 HG2 GLU A 769 -6.405 -7.180 5.367 1.00 0.00 H new ATOM 0 HG3 GLU A 769 -6.275 -6.696 3.688 1.00 0.00 H new ATOM 834 N ILE A 770 -5.048 -4.524 5.709 1.00 0.00 N ATOM 835 CA ILE A 770 -5.645 -3.786 6.804 1.00 0.00 C ATOM 836 C ILE A 770 -7.154 -3.788 6.636 1.00 0.00 C ATOM 837 O ILE A 770 -7.684 -3.212 5.691 1.00 0.00 O ATOM 838 CB ILE A 770 -5.113 -2.337 6.862 1.00 0.00 C ATOM 839 CG1 ILE A 770 -3.623 -2.341 7.189 1.00 0.00 C ATOM 840 CG2 ILE A 770 -5.869 -1.521 7.898 1.00 0.00 C ATOM 841 CD1 ILE A 770 -2.801 -1.498 6.253 1.00 0.00 C ATOM 0 H ILE A 770 -5.277 -4.160 4.784 1.00 0.00 H new ATOM 0 HA ILE A 770 -5.376 -4.270 7.743 1.00 0.00 H new ATOM 0 HB ILE A 770 -5.267 -1.878 5.886 1.00 0.00 H new ATOM 0 HG12 ILE A 770 -3.482 -1.981 8.208 1.00 0.00 H new ATOM 0 HG13 ILE A 770 -3.255 -3.367 7.159 1.00 0.00 H new ATOM 0 HG21 ILE A 770 -5.475 -0.505 7.919 1.00 0.00 H new ATOM 0 HG22 ILE A 770 -6.927 -1.495 7.639 1.00 0.00 H new ATOM 0 HG23 ILE A 770 -5.747 -1.978 8.880 1.00 0.00 H new ATOM 0 HD11 ILE A 770 -1.752 -1.548 6.545 1.00 0.00 H new ATOM 0 HD12 ILE A 770 -2.912 -1.871 5.235 1.00 0.00 H new ATOM 0 HD13 ILE A 770 -3.142 -0.464 6.300 1.00 0.00 H new ATOM 853 N LYS A 771 -7.836 -4.480 7.524 1.00 0.00 N ATOM 854 CA LYS A 771 -9.265 -4.642 7.414 1.00 0.00 C ATOM 855 C LYS A 771 -10.003 -3.471 8.035 1.00 0.00 C ATOM 856 O LYS A 771 -9.468 -2.759 8.886 1.00 0.00 O ATOM 857 CB LYS A 771 -9.687 -5.944 8.081 1.00 0.00 C ATOM 858 CG LYS A 771 -8.551 -6.947 8.177 1.00 0.00 C ATOM 859 CD LYS A 771 -9.051 -8.356 8.419 1.00 0.00 C ATOM 860 CE LYS A 771 -9.582 -8.976 7.137 1.00 0.00 C ATOM 861 NZ LYS A 771 -10.210 -10.304 7.371 1.00 0.00 N ATOM 0 H LYS A 771 -7.419 -4.940 8.333 1.00 0.00 H new ATOM 0 HA LYS A 771 -9.525 -4.675 6.356 1.00 0.00 H new ATOM 0 HB2 LYS A 771 -10.063 -5.730 9.081 1.00 0.00 H new ATOM 0 HB3 LYS A 771 -10.510 -6.386 7.519 1.00 0.00 H new ATOM 0 HG2 LYS A 771 -7.969 -6.923 7.256 1.00 0.00 H new ATOM 0 HG3 LYS A 771 -7.880 -6.657 8.986 1.00 0.00 H new ATOM 0 HD2 LYS A 771 -8.242 -8.969 8.815 1.00 0.00 H new ATOM 0 HD3 LYS A 771 -9.838 -8.341 9.173 1.00 0.00 H new ATOM 0 HE2 LYS A 771 -10.313 -8.305 6.687 1.00 0.00 H new ATOM 0 HE3 LYS A 771 -8.766 -9.083 6.422 1.00 0.00 H new ATOM 0 HZ1 LYS A 771 -10.557 -10.688 6.469 1.00 0.00 H new ATOM 0 HZ2 LYS A 771 -9.507 -10.954 7.776 1.00 0.00 H new ATOM 0 HZ3 LYS A 771 -11.006 -10.200 8.032 1.00 0.00 H new ATOM 875 N GLU A 772 -11.234 -3.295 7.583 1.00 0.00 N ATOM 876 CA GLU A 772 -12.136 -2.267 8.089 1.00 0.00 C ATOM 877 C GLU A 772 -11.510 -0.876 8.040 1.00 0.00 C ATOM 878 O GLU A 772 -11.613 -0.121 9.007 1.00 0.00 O ATOM 879 CB GLU A 772 -12.558 -2.563 9.533 1.00 0.00 C ATOM 880 CG GLU A 772 -12.717 -4.035 9.845 1.00 0.00 C ATOM 881 CD GLU A 772 -13.278 -4.271 11.229 1.00 0.00 C ATOM 882 OE1 GLU A 772 -14.495 -4.514 11.351 1.00 0.00 O ATOM 883 OE2 GLU A 772 -12.508 -4.207 12.208 1.00 0.00 O ATOM 0 H GLU A 772 -11.642 -3.868 6.845 1.00 0.00 H new ATOM 0 HA GLU A 772 -13.009 -2.283 7.437 1.00 0.00 H new ATOM 0 HB2 GLU A 772 -11.817 -2.138 10.210 1.00 0.00 H new ATOM 0 HB3 GLU A 772 -13.502 -2.057 9.735 1.00 0.00 H new ATOM 0 HG2 GLU A 772 -13.375 -4.492 9.106 1.00 0.00 H new ATOM 0 HG3 GLU A 772 -11.749 -4.529 9.759 1.00 0.00 H new ATOM 890 N ILE A 773 -10.852 -0.524 6.941 1.00 0.00 N ATOM 891 CA ILE A 773 -10.373 0.833 6.804 1.00 0.00 C ATOM 892 C ILE A 773 -11.575 1.709 6.487 1.00 0.00 C ATOM 893 O ILE A 773 -12.223 1.553 5.466 1.00 0.00 O ATOM 894 CB ILE A 773 -9.209 0.994 5.759 1.00 0.00 C ATOM 895 CG1 ILE A 773 -9.684 1.412 4.363 1.00 0.00 C ATOM 896 CG2 ILE A 773 -8.400 -0.289 5.649 1.00 0.00 C ATOM 897 CD1 ILE A 773 -9.856 2.915 4.199 1.00 0.00 C ATOM 0 H ILE A 773 -10.646 -1.143 6.157 1.00 0.00 H new ATOM 0 HA ILE A 773 -9.913 1.147 7.741 1.00 0.00 H new ATOM 0 HB ILE A 773 -8.587 1.803 6.142 1.00 0.00 H new ATOM 0 HG12 ILE A 773 -8.968 1.055 3.623 1.00 0.00 H new ATOM 0 HG13 ILE A 773 -10.634 0.921 4.150 1.00 0.00 H new ATOM 0 HG21 ILE A 773 -7.601 -0.154 4.920 1.00 0.00 H new ATOM 0 HG22 ILE A 773 -7.969 -0.532 6.620 1.00 0.00 H new ATOM 0 HG23 ILE A 773 -9.050 -1.103 5.327 1.00 0.00 H new ATOM 0 HD11 ILE A 773 -10.194 3.134 3.186 1.00 0.00 H new ATOM 0 HD12 ILE A 773 -10.595 3.277 4.914 1.00 0.00 H new ATOM 0 HD13 ILE A 773 -8.903 3.412 4.379 1.00 0.00 H new ATOM 909 N LYS A 774 -11.923 2.546 7.438 1.00 0.00 N ATOM 910 CA LYS A 774 -13.045 3.460 7.318 1.00 0.00 C ATOM 911 C LYS A 774 -12.483 4.867 7.164 1.00 0.00 C ATOM 912 O LYS A 774 -13.092 5.854 7.578 1.00 0.00 O ATOM 913 CB LYS A 774 -13.883 3.355 8.592 1.00 0.00 C ATOM 914 CG LYS A 774 -14.195 1.917 8.974 1.00 0.00 C ATOM 915 CD LYS A 774 -14.472 1.773 10.460 1.00 0.00 C ATOM 916 CE LYS A 774 -14.617 0.313 10.859 1.00 0.00 C ATOM 917 NZ LYS A 774 -14.780 0.154 12.328 1.00 0.00 N ATOM 0 H LYS A 774 -11.431 2.615 8.329 1.00 0.00 H new ATOM 0 HA LYS A 774 -13.671 3.222 6.458 1.00 0.00 H new ATOM 0 HB2 LYS A 774 -13.351 3.837 9.412 1.00 0.00 H new ATOM 0 HB3 LYS A 774 -14.817 3.900 8.454 1.00 0.00 H new ATOM 0 HG2 LYS A 774 -15.060 1.571 8.408 1.00 0.00 H new ATOM 0 HG3 LYS A 774 -13.356 1.278 8.697 1.00 0.00 H new ATOM 0 HD2 LYS A 774 -13.661 2.228 11.028 1.00 0.00 H new ATOM 0 HD3 LYS A 774 -15.383 2.314 10.716 1.00 0.00 H new ATOM 0 HE2 LYS A 774 -15.478 -0.119 10.349 1.00 0.00 H new ATOM 0 HE3 LYS A 774 -13.739 -0.243 10.529 1.00 0.00 H new ATOM 0 HZ1 LYS A 774 -14.876 -0.855 12.559 1.00 0.00 H new ATOM 0 HZ2 LYS A 774 -13.947 0.543 12.814 1.00 0.00 H new ATOM 0 HZ3 LYS A 774 -15.632 0.663 12.640 1.00 0.00 H new ATOM 931 N THR A 775 -11.297 4.934 6.568 1.00 0.00 N ATOM 932 CA THR A 775 -10.480 6.136 6.600 1.00 0.00 C ATOM 933 C THR A 775 -10.648 7.019 5.359 1.00 0.00 C ATOM 934 O THR A 775 -11.378 8.008 5.399 1.00 0.00 O ATOM 935 CB THR A 775 -9.003 5.747 6.724 1.00 0.00 C ATOM 936 OG1 THR A 775 -8.869 4.614 7.593 1.00 0.00 O ATOM 937 CG2 THR A 775 -8.185 6.902 7.268 1.00 0.00 C ATOM 0 H THR A 775 -10.879 4.159 6.052 1.00 0.00 H new ATOM 0 HA THR A 775 -10.815 6.714 7.461 1.00 0.00 H new ATOM 0 HB THR A 775 -8.631 5.494 5.731 1.00 0.00 H new ATOM 0 HG1 THR A 775 -7.923 4.369 7.667 1.00 0.00 H new ATOM 0 HG21 THR A 775 -7.140 6.602 7.347 1.00 0.00 H new ATOM 0 HG22 THR A 775 -8.268 7.755 6.595 1.00 0.00 H new ATOM 0 HG23 THR A 775 -8.558 7.180 8.254 1.00 0.00 H new ATOM 945 N ASN A 776 -9.938 6.640 4.281 1.00 0.00 N ATOM 946 CA ASN A 776 -9.875 7.374 2.999 1.00 0.00 C ATOM 947 C ASN A 776 -8.677 8.316 2.968 1.00 0.00 C ATOM 948 O ASN A 776 -8.483 9.058 2.008 1.00 0.00 O ATOM 949 CB ASN A 776 -11.163 8.130 2.655 1.00 0.00 C ATOM 950 CG ASN A 776 -12.356 7.215 2.429 1.00 0.00 C ATOM 951 OD1 ASN A 776 -13.506 7.644 2.526 1.00 0.00 O ATOM 952 ND2 ASN A 776 -12.098 5.941 2.170 1.00 0.00 N ATOM 0 H ASN A 776 -9.375 5.790 4.275 1.00 0.00 H new ATOM 0 HA ASN A 776 -9.755 6.613 2.228 1.00 0.00 H new ATOM 0 HB2 ASN A 776 -11.395 8.825 3.462 1.00 0.00 H new ATOM 0 HB3 ASN A 776 -10.997 8.727 1.758 1.00 0.00 H new ATOM 0 HD21 ASN A 776 -12.865 5.281 2.044 1.00 0.00 H new ATOM 0 HD22 ASN A 776 -11.132 5.621 2.097 1.00 0.00 H new ATOM 959 N GLU A 777 -7.872 8.256 4.020 1.00 0.00 N ATOM 960 CA GLU A 777 -6.583 8.939 4.081 1.00 0.00 C ATOM 961 C GLU A 777 -5.731 8.311 5.172 1.00 0.00 C ATOM 962 O GLU A 777 -5.741 8.757 6.318 1.00 0.00 O ATOM 963 CB GLU A 777 -6.748 10.431 4.336 1.00 0.00 C ATOM 964 CG GLU A 777 -6.634 11.258 3.071 1.00 0.00 C ATOM 965 CD GLU A 777 -6.367 12.718 3.342 1.00 0.00 C ATOM 966 OE1 GLU A 777 -5.183 13.086 3.517 1.00 0.00 O ATOM 967 OE2 GLU A 777 -7.330 13.507 3.376 1.00 0.00 O ATOM 0 H GLU A 777 -8.095 7.728 4.863 1.00 0.00 H new ATOM 0 HA GLU A 777 -6.090 8.826 3.116 1.00 0.00 H new ATOM 0 HB2 GLU A 777 -7.719 10.611 4.796 1.00 0.00 H new ATOM 0 HB3 GLU A 777 -5.992 10.759 5.049 1.00 0.00 H new ATOM 0 HG2 GLU A 777 -5.831 10.856 2.452 1.00 0.00 H new ATOM 0 HG3 GLU A 777 -7.556 11.163 2.498 1.00 0.00 H new ATOM 974 N TYR A 778 -4.994 7.278 4.809 1.00 0.00 N ATOM 975 CA TYR A 778 -4.257 6.495 5.792 1.00 0.00 C ATOM 976 C TYR A 778 -2.792 6.413 5.412 1.00 0.00 C ATOM 977 O TYR A 778 -2.455 6.078 4.280 1.00 0.00 O ATOM 978 CB TYR A 778 -4.868 5.093 5.943 1.00 0.00 C ATOM 979 CG TYR A 778 -4.058 4.144 6.803 1.00 0.00 C ATOM 980 CD1 TYR A 778 -4.179 4.156 8.185 1.00 0.00 C ATOM 981 CD2 TYR A 778 -3.178 3.230 6.230 1.00 0.00 C ATOM 982 CE1 TYR A 778 -3.448 3.288 8.975 1.00 0.00 C ATOM 983 CE2 TYR A 778 -2.443 2.359 7.013 1.00 0.00 C ATOM 984 CZ TYR A 778 -2.581 2.392 8.384 1.00 0.00 C ATOM 985 OH TYR A 778 -1.854 1.523 9.165 1.00 0.00 O ATOM 0 H TYR A 778 -4.888 6.960 3.846 1.00 0.00 H new ATOM 0 HA TYR A 778 -4.331 6.996 6.757 1.00 0.00 H new ATOM 0 HB2 TYR A 778 -5.866 5.189 6.371 1.00 0.00 H new ATOM 0 HB3 TYR A 778 -4.987 4.654 4.953 1.00 0.00 H new ATOM 0 HD1 TYR A 778 -4.856 4.856 8.652 1.00 0.00 H new ATOM 0 HD2 TYR A 778 -3.068 3.201 5.156 1.00 0.00 H new ATOM 0 HE1 TYR A 778 -3.555 3.311 10.049 1.00 0.00 H new ATOM 0 HE2 TYR A 778 -1.764 1.656 6.553 1.00 0.00 H new ATOM 0 HH TYR A 778 -1.293 0.959 8.592 1.00 0.00 H new ATOM 995 N VAL A 779 -1.922 6.747 6.347 1.00 0.00 N ATOM 996 CA VAL A 779 -0.502 6.685 6.091 1.00 0.00 C ATOM 997 C VAL A 779 0.027 5.290 6.370 1.00 0.00 C ATOM 998 O VAL A 779 0.016 4.820 7.510 1.00 0.00 O ATOM 999 CB VAL A 779 0.288 7.724 6.907 1.00 0.00 C ATOM 1000 CG1 VAL A 779 1.742 7.767 6.458 1.00 0.00 C ATOM 1001 CG2 VAL A 779 -0.347 9.091 6.778 1.00 0.00 C ATOM 0 H VAL A 779 -2.175 7.062 7.284 1.00 0.00 H new ATOM 0 HA VAL A 779 -0.358 6.923 5.037 1.00 0.00 H new ATOM 0 HB VAL A 779 0.263 7.428 7.956 1.00 0.00 H new ATOM 0 HG11 VAL A 779 2.283 8.508 7.047 1.00 0.00 H new ATOM 0 HG12 VAL A 779 2.196 6.787 6.602 1.00 0.00 H new ATOM 0 HG13 VAL A 779 1.789 8.038 5.403 1.00 0.00 H new ATOM 0 HG21 VAL A 779 0.224 9.814 7.361 1.00 0.00 H new ATOM 0 HG22 VAL A 779 -0.352 9.392 5.731 1.00 0.00 H new ATOM 0 HG23 VAL A 779 -1.371 9.053 7.149 1.00 0.00 H new ATOM 1011 N ILE A 780 0.459 4.623 5.314 1.00 0.00 N ATOM 1012 CA ILE A 780 1.004 3.285 5.419 1.00 0.00 C ATOM 1013 C ILE A 780 2.466 3.351 5.831 1.00 0.00 C ATOM 1014 O ILE A 780 3.191 4.253 5.432 1.00 0.00 O ATOM 1015 CB ILE A 780 0.888 2.529 4.078 1.00 0.00 C ATOM 1016 CG1 ILE A 780 -0.568 2.344 3.677 1.00 0.00 C ATOM 1017 CG2 ILE A 780 1.580 1.177 4.143 1.00 0.00 C ATOM 1018 CD1 ILE A 780 -0.705 1.655 2.344 1.00 0.00 C ATOM 0 H ILE A 780 0.441 4.994 4.364 1.00 0.00 H new ATOM 0 HA ILE A 780 0.430 2.748 6.173 1.00 0.00 H new ATOM 0 HB ILE A 780 1.386 3.137 3.322 1.00 0.00 H new ATOM 0 HG12 ILE A 780 -1.083 1.761 4.441 1.00 0.00 H new ATOM 0 HG13 ILE A 780 -1.058 3.317 3.634 1.00 0.00 H new ATOM 0 HG21 ILE A 780 1.480 0.670 3.183 1.00 0.00 H new ATOM 0 HG22 ILE A 780 2.637 1.320 4.370 1.00 0.00 H new ATOM 0 HG23 ILE A 780 1.120 0.570 4.923 1.00 0.00 H new ATOM 0 HD11 ILE A 780 -1.761 1.544 2.098 1.00 0.00 H new ATOM 0 HD12 ILE A 780 -0.214 2.251 1.574 1.00 0.00 H new ATOM 0 HD13 ILE A 780 -0.239 0.671 2.393 1.00 0.00 H new ATOM 1030 N LYS A 781 2.889 2.404 6.641 1.00 0.00 N ATOM 1031 CA LYS A 781 4.283 2.301 7.020 1.00 0.00 C ATOM 1032 C LYS A 781 4.794 0.922 6.664 1.00 0.00 C ATOM 1033 O LYS A 781 4.347 -0.079 7.225 1.00 0.00 O ATOM 1034 CB LYS A 781 4.497 2.574 8.517 1.00 0.00 C ATOM 1035 CG LYS A 781 4.478 4.051 8.905 1.00 0.00 C ATOM 1036 CD LYS A 781 3.073 4.639 8.914 1.00 0.00 C ATOM 1037 CE LYS A 781 2.191 3.977 9.962 1.00 0.00 C ATOM 1038 NZ LYS A 781 0.867 4.641 10.083 1.00 0.00 N ATOM 0 H LYS A 781 2.285 1.692 7.051 1.00 0.00 H new ATOM 0 HA LYS A 781 4.840 3.061 6.472 1.00 0.00 H new ATOM 0 HB2 LYS A 781 3.723 2.054 9.082 1.00 0.00 H new ATOM 0 HB3 LYS A 781 5.453 2.146 8.818 1.00 0.00 H new ATOM 0 HG2 LYS A 781 4.923 4.168 9.893 1.00 0.00 H new ATOM 0 HG3 LYS A 781 5.098 4.614 8.207 1.00 0.00 H new ATOM 0 HD2 LYS A 781 3.128 5.710 9.109 1.00 0.00 H new ATOM 0 HD3 LYS A 781 2.622 4.517 7.929 1.00 0.00 H new ATOM 0 HE2 LYS A 781 2.047 2.928 9.703 1.00 0.00 H new ATOM 0 HE3 LYS A 781 2.697 4.000 10.927 1.00 0.00 H new ATOM 0 HZ1 LYS A 781 0.282 4.126 10.771 1.00 0.00 H new ATOM 0 HZ2 LYS A 781 0.998 5.621 10.405 1.00 0.00 H new ATOM 0 HZ3 LYS A 781 0.393 4.641 9.157 1.00 0.00 H new ATOM 1052 N THR A 782 5.698 0.868 5.706 1.00 0.00 N ATOM 1053 CA THR A 782 6.249 -0.396 5.273 1.00 0.00 C ATOM 1054 C THR A 782 7.276 -0.883 6.285 1.00 0.00 C ATOM 1055 O THR A 782 8.044 -0.076 6.828 1.00 0.00 O ATOM 1056 CB THR A 782 6.924 -0.287 3.905 1.00 0.00 C ATOM 1057 OG1 THR A 782 8.085 0.538 3.998 1.00 0.00 O ATOM 1058 CG2 THR A 782 5.965 0.273 2.884 1.00 0.00 C ATOM 0 H THR A 782 6.064 1.684 5.215 1.00 0.00 H new ATOM 0 HA THR A 782 5.421 -1.101 5.194 1.00 0.00 H new ATOM 0 HB THR A 782 7.224 -1.285 3.584 1.00 0.00 H new ATOM 0 HG1 THR A 782 8.020 1.268 3.348 1.00 0.00 H new ATOM 0 HG21 THR A 782 6.463 0.343 1.917 1.00 0.00 H new ATOM 0 HG22 THR A 782 5.099 -0.384 2.799 1.00 0.00 H new ATOM 0 HG23 THR A 782 5.639 1.265 3.197 1.00 0.00 H new ATOM 1066 N PRO A 783 7.310 -2.205 6.526 1.00 0.00 N ATOM 1067 CA PRO A 783 8.218 -2.830 7.501 1.00 0.00 C ATOM 1068 C PRO A 783 9.686 -2.493 7.247 1.00 0.00 C ATOM 1069 O PRO A 783 10.060 -2.072 6.155 1.00 0.00 O ATOM 1070 CB PRO A 783 7.980 -4.329 7.295 1.00 0.00 C ATOM 1071 CG PRO A 783 6.614 -4.419 6.713 1.00 0.00 C ATOM 1072 CD PRO A 783 6.457 -3.202 5.856 1.00 0.00 C ATOM 0 HA PRO A 783 8.020 -2.480 8.514 1.00 0.00 H new ATOM 0 HB2 PRO A 783 8.725 -4.760 6.626 1.00 0.00 H new ATOM 0 HB3 PRO A 783 8.046 -4.873 8.237 1.00 0.00 H new ATOM 0 HG2 PRO A 783 6.498 -5.329 6.125 1.00 0.00 H new ATOM 0 HG3 PRO A 783 5.856 -4.447 7.496 1.00 0.00 H new ATOM 0 HD2 PRO A 783 6.782 -3.386 4.832 1.00 0.00 H new ATOM 0 HD3 PRO A 783 5.418 -2.875 5.807 1.00 0.00 H new ATOM 1080 N VAL A 784 10.502 -2.692 8.274 1.00 0.00 N ATOM 1081 CA VAL A 784 11.928 -2.406 8.218 1.00 0.00 C ATOM 1082 C VAL A 784 12.626 -3.187 7.112 1.00 0.00 C ATOM 1083 O VAL A 784 12.557 -4.415 7.060 1.00 0.00 O ATOM 1084 CB VAL A 784 12.583 -2.731 9.575 1.00 0.00 C ATOM 1085 CG1 VAL A 784 14.100 -2.729 9.483 1.00 0.00 C ATOM 1086 CG2 VAL A 784 12.102 -1.750 10.623 1.00 0.00 C ATOM 0 H VAL A 784 10.191 -3.058 9.174 1.00 0.00 H new ATOM 0 HA VAL A 784 12.039 -1.345 7.996 1.00 0.00 H new ATOM 0 HB VAL A 784 12.284 -3.738 9.866 1.00 0.00 H new ATOM 0 HG11 VAL A 784 14.524 -2.962 10.460 1.00 0.00 H new ATOM 0 HG12 VAL A 784 14.422 -3.478 8.759 1.00 0.00 H new ATOM 0 HG13 VAL A 784 14.444 -1.745 9.164 1.00 0.00 H new ATOM 0 HG21 VAL A 784 12.567 -1.983 11.581 1.00 0.00 H new ATOM 0 HG22 VAL A 784 12.373 -0.737 10.325 1.00 0.00 H new ATOM 0 HG23 VAL A 784 11.019 -1.822 10.719 1.00 0.00 H new ATOM 1096 N PHE A 785 13.303 -2.467 6.230 1.00 0.00 N ATOM 1097 CA PHE A 785 14.039 -3.096 5.147 1.00 0.00 C ATOM 1098 C PHE A 785 15.517 -3.191 5.485 1.00 0.00 C ATOM 1099 O PHE A 785 16.276 -2.246 5.266 1.00 0.00 O ATOM 1100 CB PHE A 785 13.863 -2.337 3.840 1.00 0.00 C ATOM 1101 CG PHE A 785 12.453 -2.316 3.352 1.00 0.00 C ATOM 1102 CD1 PHE A 785 11.658 -1.231 3.616 1.00 0.00 C ATOM 1103 CD2 PHE A 785 11.928 -3.370 2.624 1.00 0.00 C ATOM 1104 CE1 PHE A 785 10.357 -1.180 3.169 1.00 0.00 C ATOM 1105 CE2 PHE A 785 10.623 -3.332 2.174 1.00 0.00 C ATOM 1106 CZ PHE A 785 9.835 -2.233 2.446 1.00 0.00 C ATOM 0 H PHE A 785 13.357 -1.449 6.244 1.00 0.00 H new ATOM 0 HA PHE A 785 13.634 -4.100 5.021 1.00 0.00 H new ATOM 0 HB2 PHE A 785 14.208 -1.312 3.974 1.00 0.00 H new ATOM 0 HB3 PHE A 785 14.497 -2.790 3.077 1.00 0.00 H new ATOM 0 HD1 PHE A 785 12.058 -0.404 4.183 1.00 0.00 H new ATOM 0 HD2 PHE A 785 12.544 -4.230 2.406 1.00 0.00 H new ATOM 0 HE1 PHE A 785 9.745 -0.316 3.384 1.00 0.00 H new ATOM 0 HE2 PHE A 785 10.220 -4.161 1.610 1.00 0.00 H new ATOM 0 HZ PHE A 785 8.814 -2.197 2.095 1.00 0.00 H new ATOM 1116 N THR A 786 15.931 -4.332 6.006 1.00 0.00 N ATOM 1117 CA THR A 786 17.325 -4.545 6.373 1.00 0.00 C ATOM 1118 C THR A 786 18.137 -4.998 5.175 1.00 0.00 C ATOM 1119 O THR A 786 19.130 -5.714 5.304 1.00 0.00 O ATOM 1120 CB THR A 786 17.432 -5.574 7.496 1.00 0.00 C ATOM 1121 OG1 THR A 786 16.802 -6.801 7.104 1.00 0.00 O ATOM 1122 CG2 THR A 786 16.767 -5.025 8.737 1.00 0.00 C ATOM 0 H THR A 786 15.322 -5.130 6.186 1.00 0.00 H new ATOM 0 HA THR A 786 17.728 -3.596 6.725 1.00 0.00 H new ATOM 0 HB THR A 786 18.483 -5.775 7.704 1.00 0.00 H new ATOM 0 HG1 THR A 786 16.878 -7.454 7.830 1.00 0.00 H new ATOM 0 HG21 THR A 786 16.840 -5.756 9.543 1.00 0.00 H new ATOM 0 HG22 THR A 786 17.263 -4.102 9.038 1.00 0.00 H new ATOM 0 HG23 THR A 786 15.717 -4.821 8.527 1.00 0.00 H new ATOM 1130 N THR A 787 17.699 -4.570 4.009 1.00 0.00 N ATOM 1131 CA THR A 787 18.374 -4.904 2.768 1.00 0.00 C ATOM 1132 C THR A 787 18.166 -3.810 1.737 1.00 0.00 C ATOM 1133 O THR A 787 17.052 -3.612 1.254 1.00 0.00 O ATOM 1134 CB THR A 787 17.876 -6.228 2.177 1.00 0.00 C ATOM 1135 OG1 THR A 787 17.215 -7.014 3.179 1.00 0.00 O ATOM 1136 CG2 THR A 787 19.040 -7.015 1.600 1.00 0.00 C ATOM 0 H THR A 787 16.872 -3.985 3.893 1.00 0.00 H new ATOM 0 HA THR A 787 19.433 -5.004 3.008 1.00 0.00 H new ATOM 0 HB THR A 787 17.165 -6.000 1.383 1.00 0.00 H new ATOM 0 HG1 THR A 787 16.903 -7.854 2.783 1.00 0.00 H new ATOM 0 HG21 THR A 787 18.674 -7.953 1.183 1.00 0.00 H new ATOM 0 HG22 THR A 787 19.520 -6.432 0.814 1.00 0.00 H new ATOM 0 HG23 THR A 787 19.763 -7.226 2.388 1.00 0.00 H new ATOM 1144 N GLY A 788 19.225 -3.064 1.448 1.00 0.00 N ATOM 1145 CA GLY A 788 19.194 -2.121 0.351 1.00 0.00 C ATOM 1146 C GLY A 788 18.744 -2.759 -0.949 1.00 0.00 C ATOM 1147 O GLY A 788 19.479 -3.527 -1.567 1.00 0.00 O ATOM 0 H GLY A 788 20.108 -3.097 1.958 1.00 0.00 H new ATOM 0 HA2 GLY A 788 18.522 -1.300 0.601 1.00 0.00 H new ATOM 0 HA3 GLY A 788 20.187 -1.691 0.217 1.00 0.00 H new ATOM 1151 N GLY A 789 17.533 -2.426 -1.347 1.00 0.00 N ATOM 1152 CA GLY A 789 16.955 -2.957 -2.559 1.00 0.00 C ATOM 1153 C GLY A 789 15.947 -1.996 -3.148 1.00 0.00 C ATOM 1154 O GLY A 789 16.046 -0.790 -2.944 1.00 0.00 O ATOM 0 H GLY A 789 16.926 -1.782 -0.840 1.00 0.00 H new ATOM 0 HA2 GLY A 789 17.743 -3.153 -3.286 1.00 0.00 H new ATOM 0 HA3 GLY A 789 16.472 -3.911 -2.348 1.00 0.00 H new ATOM 1158 N ASP A 790 14.963 -2.515 -3.857 1.00 0.00 N ATOM 1159 CA ASP A 790 13.943 -1.672 -4.450 1.00 0.00 C ATOM 1160 C ASP A 790 12.612 -2.374 -4.323 1.00 0.00 C ATOM 1161 O ASP A 790 12.513 -3.580 -4.582 1.00 0.00 O ATOM 1162 CB ASP A 790 14.268 -1.391 -5.914 1.00 0.00 C ATOM 1163 CG ASP A 790 13.499 -0.213 -6.475 1.00 0.00 C ATOM 1164 OD1 ASP A 790 13.843 0.937 -6.131 1.00 0.00 O ATOM 1165 OD2 ASP A 790 12.583 -0.425 -7.293 1.00 0.00 O ATOM 0 H ASP A 790 14.848 -3.513 -4.036 1.00 0.00 H new ATOM 0 HA ASP A 790 13.904 -0.714 -3.932 1.00 0.00 H new ATOM 0 HB2 ASP A 790 15.337 -1.201 -6.013 1.00 0.00 H new ATOM 0 HB3 ASP A 790 14.046 -2.278 -6.507 1.00 0.00 H new ATOM 1170 N TYR A 791 11.607 -1.650 -3.884 1.00 0.00 N ATOM 1171 CA TYR A 791 10.320 -2.249 -3.602 1.00 0.00 C ATOM 1172 C TYR A 791 9.206 -1.397 -4.171 1.00 0.00 C ATOM 1173 O TYR A 791 9.334 -0.185 -4.267 1.00 0.00 O ATOM 1174 CB TYR A 791 10.142 -2.413 -2.090 1.00 0.00 C ATOM 1175 CG TYR A 791 11.309 -3.111 -1.430 1.00 0.00 C ATOM 1176 CD1 TYR A 791 12.379 -2.386 -0.919 1.00 0.00 C ATOM 1177 CD2 TYR A 791 11.355 -4.493 -1.343 1.00 0.00 C ATOM 1178 CE1 TYR A 791 13.460 -3.021 -0.343 1.00 0.00 C ATOM 1179 CE2 TYR A 791 12.429 -5.135 -0.761 1.00 0.00 C ATOM 1180 CZ TYR A 791 13.480 -4.397 -0.265 1.00 0.00 C ATOM 1181 OH TYR A 791 14.555 -5.036 0.307 1.00 0.00 O ATOM 0 H TYR A 791 11.655 -0.645 -3.714 1.00 0.00 H new ATOM 0 HA TYR A 791 10.278 -3.231 -4.073 1.00 0.00 H new ATOM 0 HB2 TYR A 791 10.010 -1.431 -1.637 1.00 0.00 H new ATOM 0 HB3 TYR A 791 9.231 -2.979 -1.896 1.00 0.00 H new ATOM 0 HD1 TYR A 791 12.364 -1.307 -0.974 1.00 0.00 H new ATOM 0 HD2 TYR A 791 10.537 -5.077 -1.737 1.00 0.00 H new ATOM 0 HE1 TYR A 791 14.286 -2.443 0.045 1.00 0.00 H new ATOM 0 HE2 TYR A 791 12.445 -6.213 -0.695 1.00 0.00 H new ATOM 0 HH TYR A 791 15.239 -4.376 0.545 1.00 0.00 H new ATOM 1191 N ILE A 792 8.122 -2.029 -4.561 1.00 0.00 N ATOM 1192 CA ILE A 792 6.981 -1.311 -5.088 1.00 0.00 C ATOM 1193 C ILE A 792 5.724 -1.717 -4.346 1.00 0.00 C ATOM 1194 O ILE A 792 5.314 -2.876 -4.378 1.00 0.00 O ATOM 1195 CB ILE A 792 6.816 -1.563 -6.599 1.00 0.00 C ATOM 1196 CG1 ILE A 792 8.032 -1.020 -7.350 1.00 0.00 C ATOM 1197 CG2 ILE A 792 5.549 -0.898 -7.109 1.00 0.00 C ATOM 1198 CD1 ILE A 792 8.401 -1.820 -8.577 1.00 0.00 C ATOM 0 H ILE A 792 8.005 -3.042 -4.523 1.00 0.00 H new ATOM 0 HA ILE A 792 7.152 -0.244 -4.942 1.00 0.00 H new ATOM 0 HB ILE A 792 6.739 -2.637 -6.772 1.00 0.00 H new ATOM 0 HG12 ILE A 792 7.834 0.010 -7.646 1.00 0.00 H new ATOM 0 HG13 ILE A 792 8.885 -0.998 -6.672 1.00 0.00 H new ATOM 0 HG21 ILE A 792 5.445 -1.084 -8.178 1.00 0.00 H new ATOM 0 HG22 ILE A 792 4.686 -1.308 -6.584 1.00 0.00 H new ATOM 0 HG23 ILE A 792 5.605 0.176 -6.932 1.00 0.00 H new ATOM 0 HD11 ILE A 792 9.272 -1.372 -9.055 1.00 0.00 H new ATOM 0 HD12 ILE A 792 8.633 -2.845 -8.287 1.00 0.00 H new ATOM 0 HD13 ILE A 792 7.565 -1.821 -9.276 1.00 0.00 H new ATOM 1210 N LEU A 793 5.132 -0.763 -3.659 1.00 0.00 N ATOM 1211 CA LEU A 793 3.903 -1.004 -2.941 1.00 0.00 C ATOM 1212 C LEU A 793 2.739 -0.855 -3.904 1.00 0.00 C ATOM 1213 O LEU A 793 2.396 0.250 -4.322 1.00 0.00 O ATOM 1214 CB LEU A 793 3.772 -0.035 -1.757 1.00 0.00 C ATOM 1215 CG LEU A 793 2.565 -0.274 -0.838 1.00 0.00 C ATOM 1216 CD1 LEU A 793 2.872 0.162 0.587 1.00 0.00 C ATOM 1217 CD2 LEU A 793 1.352 0.480 -1.340 1.00 0.00 C ATOM 0 H LEU A 793 5.486 0.191 -3.584 1.00 0.00 H new ATOM 0 HA LEU A 793 3.904 -2.015 -2.534 1.00 0.00 H new ATOM 0 HB2 LEU A 793 4.681 -0.096 -1.158 1.00 0.00 H new ATOM 0 HB3 LEU A 793 3.715 0.981 -2.146 1.00 0.00 H new ATOM 0 HG LEU A 793 2.353 -1.343 -0.845 1.00 0.00 H new ATOM 0 HD11 LEU A 793 2.002 -0.018 1.218 1.00 0.00 H new ATOM 0 HD12 LEU A 793 3.720 -0.408 0.967 1.00 0.00 H new ATOM 0 HD13 LEU A 793 3.115 1.224 0.598 1.00 0.00 H new ATOM 0 HD21 LEU A 793 0.508 0.297 -0.674 1.00 0.00 H new ATOM 0 HD22 LEU A 793 1.571 1.548 -1.363 1.00 0.00 H new ATOM 0 HD23 LEU A 793 1.102 0.139 -2.345 1.00 0.00 H new ATOM 1229 N SER A 794 2.155 -1.982 -4.262 1.00 0.00 N ATOM 1230 CA SER A 794 1.059 -2.017 -5.210 1.00 0.00 C ATOM 1231 C SER A 794 -0.199 -2.533 -4.527 1.00 0.00 C ATOM 1232 O SER A 794 -0.123 -3.315 -3.583 1.00 0.00 O ATOM 1233 CB SER A 794 1.422 -2.923 -6.385 1.00 0.00 C ATOM 1234 OG SER A 794 2.657 -2.537 -6.959 1.00 0.00 O ATOM 0 H SER A 794 2.427 -2.898 -3.904 1.00 0.00 H new ATOM 0 HA SER A 794 0.874 -1.009 -5.580 1.00 0.00 H new ATOM 0 HB2 SER A 794 1.481 -3.957 -6.047 1.00 0.00 H new ATOM 0 HB3 SER A 794 0.636 -2.879 -7.139 1.00 0.00 H new ATOM 0 HG SER A 794 2.870 -3.132 -7.708 1.00 0.00 H new ATOM 1240 N LEU A 795 -1.348 -2.096 -5.003 1.00 0.00 N ATOM 1241 CA LEU A 795 -2.616 -2.484 -4.413 1.00 0.00 C ATOM 1242 C LEU A 795 -3.069 -3.837 -4.943 1.00 0.00 C ATOM 1243 O LEU A 795 -2.984 -4.100 -6.144 1.00 0.00 O ATOM 1244 CB LEU A 795 -3.658 -1.426 -4.731 1.00 0.00 C ATOM 1245 CG LEU A 795 -3.241 -0.002 -4.387 1.00 0.00 C ATOM 1246 CD1 LEU A 795 -4.328 0.960 -4.794 1.00 0.00 C ATOM 1247 CD2 LEU A 795 -2.922 0.121 -2.902 1.00 0.00 C ATOM 0 H LEU A 795 -1.431 -1.468 -5.802 1.00 0.00 H new ATOM 0 HA LEU A 795 -2.493 -2.568 -3.333 1.00 0.00 H new ATOM 0 HB2 LEU A 795 -3.894 -1.475 -5.794 1.00 0.00 H new ATOM 0 HB3 LEU A 795 -4.574 -1.663 -4.190 1.00 0.00 H new ATOM 0 HG LEU A 795 -2.335 0.247 -4.939 1.00 0.00 H new ATOM 0 HD11 LEU A 795 -4.025 1.977 -4.546 1.00 0.00 H new ATOM 0 HD12 LEU A 795 -4.498 0.884 -5.868 1.00 0.00 H new ATOM 0 HD13 LEU A 795 -5.248 0.716 -4.263 1.00 0.00 H new ATOM 0 HD21 LEU A 795 -2.626 1.146 -2.677 1.00 0.00 H new ATOM 0 HD22 LEU A 795 -3.805 -0.139 -2.318 1.00 0.00 H new ATOM 0 HD23 LEU A 795 -2.107 -0.556 -2.648 1.00 0.00 H new ATOM 1259 N VAL A 796 -3.557 -4.689 -4.045 1.00 0.00 N ATOM 1260 CA VAL A 796 -3.957 -6.038 -4.421 1.00 0.00 C ATOM 1261 C VAL A 796 -5.464 -6.149 -4.592 1.00 0.00 C ATOM 1262 O VAL A 796 -5.953 -6.485 -5.670 1.00 0.00 O ATOM 1263 CB VAL A 796 -3.495 -7.067 -3.370 1.00 0.00 C ATOM 1264 CG1 VAL A 796 -4.030 -8.458 -3.684 1.00 0.00 C ATOM 1265 CG2 VAL A 796 -1.990 -7.083 -3.324 1.00 0.00 C ATOM 0 H VAL A 796 -3.684 -4.469 -3.057 1.00 0.00 H new ATOM 0 HA VAL A 796 -3.476 -6.252 -5.376 1.00 0.00 H new ATOM 0 HB VAL A 796 -3.891 -6.776 -2.397 1.00 0.00 H new ATOM 0 HG11 VAL A 796 -3.686 -9.160 -2.924 1.00 0.00 H new ATOM 0 HG12 VAL A 796 -5.120 -8.436 -3.691 1.00 0.00 H new ATOM 0 HG13 VAL A 796 -3.667 -8.775 -4.662 1.00 0.00 H new ATOM 0 HG21 VAL A 796 -1.656 -7.809 -2.582 1.00 0.00 H new ATOM 0 HG22 VAL A 796 -1.599 -7.359 -4.303 1.00 0.00 H new ATOM 0 HG23 VAL A 796 -1.624 -6.093 -3.053 1.00 0.00 H new ATOM 1275 N SER A 797 -6.193 -5.815 -3.541 1.00 0.00 N ATOM 1276 CA SER A 797 -7.637 -6.007 -3.509 1.00 0.00 C ATOM 1277 C SER A 797 -8.233 -5.332 -2.280 1.00 0.00 C ATOM 1278 O SER A 797 -7.549 -5.147 -1.274 1.00 0.00 O ATOM 1279 CB SER A 797 -7.980 -7.503 -3.492 1.00 0.00 C ATOM 1280 OG SER A 797 -7.776 -8.103 -4.761 1.00 0.00 O ATOM 0 H SER A 797 -5.806 -5.406 -2.690 1.00 0.00 H new ATOM 0 HA SER A 797 -8.061 -5.556 -4.406 1.00 0.00 H new ATOM 0 HB2 SER A 797 -7.365 -8.009 -2.747 1.00 0.00 H new ATOM 0 HB3 SER A 797 -9.019 -7.635 -3.190 1.00 0.00 H new ATOM 0 HG SER A 797 -7.418 -7.437 -5.384 1.00 0.00 H new ATOM 1286 N ILE A 798 -9.494 -4.950 -2.374 1.00 0.00 N ATOM 1287 CA ILE A 798 -10.198 -4.353 -1.251 1.00 0.00 C ATOM 1288 C ILE A 798 -11.473 -5.143 -0.989 1.00 0.00 C ATOM 1289 O ILE A 798 -11.875 -5.943 -1.815 1.00 0.00 O ATOM 1290 CB ILE A 798 -10.527 -2.870 -1.513 1.00 0.00 C ATOM 1291 CG1 ILE A 798 -10.887 -2.161 -0.209 1.00 0.00 C ATOM 1292 CG2 ILE A 798 -11.675 -2.762 -2.501 1.00 0.00 C ATOM 1293 CD1 ILE A 798 -10.628 -0.673 -0.239 1.00 0.00 C ATOM 0 H ILE A 798 -10.055 -5.043 -3.221 1.00 0.00 H new ATOM 0 HA ILE A 798 -9.553 -4.390 -0.373 1.00 0.00 H new ATOM 0 HB ILE A 798 -9.646 -2.387 -1.935 1.00 0.00 H new ATOM 0 HG12 ILE A 798 -11.941 -2.334 0.010 1.00 0.00 H new ATOM 0 HG13 ILE A 798 -10.315 -2.605 0.606 1.00 0.00 H new ATOM 0 HG21 ILE A 798 -11.902 -1.711 -2.681 1.00 0.00 H new ATOM 0 HG22 ILE A 798 -11.393 -3.239 -3.440 1.00 0.00 H new ATOM 0 HG23 ILE A 798 -12.555 -3.258 -2.092 1.00 0.00 H new ATOM 0 HD11 ILE A 798 -10.907 -0.236 0.720 1.00 0.00 H new ATOM 0 HD12 ILE A 798 -9.570 -0.492 -0.427 1.00 0.00 H new ATOM 0 HD13 ILE A 798 -11.220 -0.216 -1.032 1.00 0.00 H new ATOM 1305 N LYS A 799 -12.106 -4.931 0.147 1.00 0.00 N ATOM 1306 CA LYS A 799 -13.245 -5.747 0.525 1.00 0.00 C ATOM 1307 C LYS A 799 -14.356 -4.906 1.111 1.00 0.00 C ATOM 1308 O LYS A 799 -14.156 -4.189 2.089 1.00 0.00 O ATOM 1309 CB LYS A 799 -12.785 -6.764 1.540 1.00 0.00 C ATOM 1310 CG LYS A 799 -13.785 -7.816 1.953 1.00 0.00 C ATOM 1311 CD LYS A 799 -13.143 -8.710 2.994 1.00 0.00 C ATOM 1312 CE LYS A 799 -14.100 -9.742 3.534 1.00 0.00 C ATOM 1313 NZ LYS A 799 -13.430 -10.691 4.463 1.00 0.00 N ATOM 0 H LYS A 799 -11.855 -4.207 0.820 1.00 0.00 H new ATOM 0 HA LYS A 799 -13.639 -6.241 -0.363 1.00 0.00 H new ATOM 0 HB2 LYS A 799 -11.906 -7.270 1.140 1.00 0.00 H new ATOM 0 HB3 LYS A 799 -12.465 -6.230 2.435 1.00 0.00 H new ATOM 0 HG2 LYS A 799 -14.682 -7.347 2.358 1.00 0.00 H new ATOM 0 HG3 LYS A 799 -14.095 -8.404 1.089 1.00 0.00 H new ATOM 0 HD2 LYS A 799 -12.281 -9.212 2.556 1.00 0.00 H new ATOM 0 HD3 LYS A 799 -12.772 -8.098 3.816 1.00 0.00 H new ATOM 0 HE2 LYS A 799 -14.917 -9.242 4.054 1.00 0.00 H new ATOM 0 HE3 LYS A 799 -14.541 -10.296 2.705 1.00 0.00 H new ATOM 0 HZ1 LYS A 799 -14.123 -11.384 4.811 1.00 0.00 H new ATOM 0 HZ2 LYS A 799 -12.667 -11.188 3.961 1.00 0.00 H new ATOM 0 HZ3 LYS A 799 -13.031 -10.166 5.267 1.00 0.00 H new ATOM 1327 N ASP A 800 -15.514 -5.011 0.498 1.00 0.00 N ATOM 1328 CA ASP A 800 -16.716 -4.347 0.980 1.00 0.00 C ATOM 1329 C ASP A 800 -17.189 -5.020 2.252 1.00 0.00 C ATOM 1330 O ASP A 800 -16.878 -6.187 2.485 1.00 0.00 O ATOM 1331 CB ASP A 800 -17.810 -4.424 -0.084 1.00 0.00 C ATOM 1332 CG ASP A 800 -19.121 -3.805 0.361 1.00 0.00 C ATOM 1333 OD1 ASP A 800 -19.328 -2.605 0.115 1.00 0.00 O ATOM 1334 OD2 ASP A 800 -19.958 -4.528 0.940 1.00 0.00 O ATOM 0 H ASP A 800 -15.654 -5.559 -0.351 1.00 0.00 H new ATOM 0 HA ASP A 800 -16.493 -3.300 1.187 1.00 0.00 H new ATOM 0 HB2 ASP A 800 -17.466 -3.920 -0.987 1.00 0.00 H new ATOM 0 HB3 ASP A 800 -17.979 -5.468 -0.347 1.00 0.00 H new ATOM 1339 N SER A 801 -17.963 -4.282 3.047 1.00 0.00 N ATOM 1340 CA SER A 801 -18.419 -4.725 4.360 1.00 0.00 C ATOM 1341 C SER A 801 -19.268 -5.998 4.295 1.00 0.00 C ATOM 1342 O SER A 801 -19.591 -6.586 5.327 1.00 0.00 O ATOM 1343 CB SER A 801 -19.208 -3.596 5.022 1.00 0.00 C ATOM 1344 OG SER A 801 -20.140 -3.026 4.112 1.00 0.00 O ATOM 0 H SER A 801 -18.293 -3.351 2.793 1.00 0.00 H new ATOM 0 HA SER A 801 -17.538 -4.971 4.952 1.00 0.00 H new ATOM 0 HB2 SER A 801 -19.735 -3.979 5.896 1.00 0.00 H new ATOM 0 HB3 SER A 801 -18.522 -2.826 5.376 1.00 0.00 H new ATOM 0 HG SER A 801 -20.635 -2.307 4.558 1.00 0.00 H new ATOM 1350 N THR A 802 -19.637 -6.405 3.086 1.00 0.00 N ATOM 1351 CA THR A 802 -20.373 -7.644 2.876 1.00 0.00 C ATOM 1352 C THR A 802 -19.418 -8.767 2.482 1.00 0.00 C ATOM 1353 O THR A 802 -19.833 -9.873 2.127 1.00 0.00 O ATOM 1354 CB THR A 802 -21.434 -7.463 1.775 1.00 0.00 C ATOM 1355 OG1 THR A 802 -20.816 -6.970 0.577 1.00 0.00 O ATOM 1356 CG2 THR A 802 -22.512 -6.492 2.225 1.00 0.00 C ATOM 0 H THR A 802 -19.436 -5.889 2.230 1.00 0.00 H new ATOM 0 HA THR A 802 -20.871 -7.906 3.810 1.00 0.00 H new ATOM 0 HB THR A 802 -21.893 -8.432 1.577 1.00 0.00 H new ATOM 0 HG1 THR A 802 -20.615 -6.017 0.681 1.00 0.00 H new ATOM 0 HG21 THR A 802 -23.252 -6.378 1.433 1.00 0.00 H new ATOM 0 HG22 THR A 802 -22.997 -6.877 3.122 1.00 0.00 H new ATOM 0 HG23 THR A 802 -22.061 -5.524 2.443 1.00 0.00 H new ATOM 1364 N GLY A 803 -18.131 -8.461 2.555 1.00 0.00 N ATOM 1365 CA GLY A 803 -17.101 -9.387 2.148 1.00 0.00 C ATOM 1366 C GLY A 803 -16.974 -9.461 0.645 1.00 0.00 C ATOM 1367 O GLY A 803 -16.618 -10.501 0.092 1.00 0.00 O ATOM 0 H GLY A 803 -17.779 -7.567 2.897 1.00 0.00 H new ATOM 0 HA2 GLY A 803 -16.147 -9.082 2.579 1.00 0.00 H new ATOM 0 HA3 GLY A 803 -17.326 -10.378 2.543 1.00 0.00 H new ATOM 1371 N CYS A 804 -17.254 -8.350 -0.018 1.00 0.00 N ATOM 1372 CA CYS A 804 -17.186 -8.305 -1.474 1.00 0.00 C ATOM 1373 C CYS A 804 -15.837 -7.745 -1.895 1.00 0.00 C ATOM 1374 O CYS A 804 -15.596 -6.541 -1.802 1.00 0.00 O ATOM 1375 CB CYS A 804 -18.331 -7.465 -2.050 1.00 0.00 C ATOM 1376 SG CYS A 804 -18.487 -7.545 -3.851 1.00 0.00 S ATOM 0 H CYS A 804 -17.529 -7.472 0.423 1.00 0.00 H new ATOM 0 HA CYS A 804 -17.293 -9.316 -1.868 1.00 0.00 H new ATOM 0 HB2 CYS A 804 -19.268 -7.795 -1.602 1.00 0.00 H new ATOM 0 HB3 CYS A 804 -18.186 -6.425 -1.756 1.00 0.00 H new ATOM 0 HG CYS A 804 -19.484 -6.803 -4.234 1.00 0.00 H new ATOM 1382 N VAL A 805 -14.951 -8.622 -2.334 1.00 0.00 N ATOM 1383 CA VAL A 805 -13.583 -8.232 -2.633 1.00 0.00 C ATOM 1384 C VAL A 805 -13.467 -7.705 -4.061 1.00 0.00 C ATOM 1385 O VAL A 805 -13.764 -8.410 -5.027 1.00 0.00 O ATOM 1386 CB VAL A 805 -12.605 -9.405 -2.435 1.00 0.00 C ATOM 1387 CG1 VAL A 805 -11.178 -8.900 -2.328 1.00 0.00 C ATOM 1388 CG2 VAL A 805 -12.977 -10.222 -1.206 1.00 0.00 C ATOM 0 H VAL A 805 -15.154 -9.609 -2.492 1.00 0.00 H new ATOM 0 HA VAL A 805 -13.316 -7.438 -1.936 1.00 0.00 H new ATOM 0 HB VAL A 805 -12.676 -10.054 -3.308 1.00 0.00 H new ATOM 0 HG11 VAL A 805 -10.503 -9.744 -2.188 1.00 0.00 H new ATOM 0 HG12 VAL A 805 -10.911 -8.369 -3.241 1.00 0.00 H new ATOM 0 HG13 VAL A 805 -11.094 -8.224 -1.477 1.00 0.00 H new ATOM 0 HG21 VAL A 805 -12.271 -11.044 -1.088 1.00 0.00 H new ATOM 0 HG22 VAL A 805 -12.943 -9.585 -0.322 1.00 0.00 H new ATOM 0 HG23 VAL A 805 -13.984 -10.622 -1.326 1.00 0.00 H new ATOM 1398 N VAL A 806 -13.041 -6.459 -4.170 1.00 0.00 N ATOM 1399 CA VAL A 806 -12.875 -5.786 -5.446 1.00 0.00 C ATOM 1400 C VAL A 806 -11.400 -5.720 -5.819 1.00 0.00 C ATOM 1401 O VAL A 806 -10.553 -5.384 -4.983 1.00 0.00 O ATOM 1402 CB VAL A 806 -13.458 -4.355 -5.386 1.00 0.00 C ATOM 1403 CG1 VAL A 806 -13.144 -3.577 -6.656 1.00 0.00 C ATOM 1404 CG2 VAL A 806 -14.959 -4.410 -5.162 1.00 0.00 C ATOM 0 H VAL A 806 -12.798 -5.880 -3.366 1.00 0.00 H new ATOM 0 HA VAL A 806 -13.413 -6.355 -6.204 1.00 0.00 H new ATOM 0 HB VAL A 806 -12.991 -3.836 -4.549 1.00 0.00 H new ATOM 0 HG11 VAL A 806 -13.567 -2.575 -6.583 1.00 0.00 H new ATOM 0 HG12 VAL A 806 -12.064 -3.506 -6.782 1.00 0.00 H new ATOM 0 HG13 VAL A 806 -13.576 -4.092 -7.514 1.00 0.00 H new ATOM 0 HG21 VAL A 806 -15.358 -3.397 -5.122 1.00 0.00 H new ATOM 0 HG22 VAL A 806 -15.430 -4.953 -5.982 1.00 0.00 H new ATOM 0 HG23 VAL A 806 -15.168 -4.920 -4.222 1.00 0.00 H new ATOM 1414 N GLY A 807 -11.100 -6.059 -7.065 1.00 0.00 N ATOM 1415 CA GLY A 807 -9.733 -6.000 -7.549 1.00 0.00 C ATOM 1416 C GLY A 807 -9.227 -4.573 -7.624 1.00 0.00 C ATOM 1417 O GLY A 807 -9.932 -3.686 -8.110 1.00 0.00 O ATOM 0 H GLY A 807 -11.782 -6.376 -7.754 1.00 0.00 H new ATOM 0 HA2 GLY A 807 -9.088 -6.581 -6.890 1.00 0.00 H new ATOM 0 HA3 GLY A 807 -9.676 -6.459 -8.536 1.00 0.00 H new ATOM 1421 N LEU A 808 -8.016 -4.341 -7.134 1.00 0.00 N ATOM 1422 CA LEU A 808 -7.469 -2.996 -7.080 1.00 0.00 C ATOM 1423 C LEU A 808 -6.492 -2.720 -8.205 1.00 0.00 C ATOM 1424 O LEU A 808 -5.605 -3.527 -8.490 1.00 0.00 O ATOM 1425 CB LEU A 808 -6.778 -2.766 -5.747 1.00 0.00 C ATOM 1426 CG LEU A 808 -7.698 -2.786 -4.541 1.00 0.00 C ATOM 1427 CD1 LEU A 808 -6.918 -2.474 -3.286 1.00 0.00 C ATOM 1428 CD2 LEU A 808 -8.838 -1.814 -4.732 1.00 0.00 C ATOM 0 H LEU A 808 -7.397 -5.066 -6.770 1.00 0.00 H new ATOM 0 HA LEU A 808 -8.308 -2.309 -7.194 1.00 0.00 H new ATOM 0 HB2 LEU A 808 -6.012 -3.530 -5.614 1.00 0.00 H new ATOM 0 HB3 LEU A 808 -6.267 -1.804 -5.780 1.00 0.00 H new ATOM 0 HG LEU A 808 -8.124 -3.784 -4.436 1.00 0.00 H new ATOM 0 HD11 LEU A 808 -7.589 -2.491 -2.427 1.00 0.00 H new ATOM 0 HD12 LEU A 808 -6.135 -3.220 -3.150 1.00 0.00 H new ATOM 0 HD13 LEU A 808 -6.467 -1.486 -3.374 1.00 0.00 H new ATOM 0 HD21 LEU A 808 -9.489 -1.840 -3.858 1.00 0.00 H new ATOM 0 HD22 LEU A 808 -8.440 -0.807 -4.858 1.00 0.00 H new ATOM 0 HD23 LEU A 808 -9.409 -2.092 -5.618 1.00 0.00 H new ATOM 1440 N SER A 809 -6.672 -1.574 -8.845 1.00 0.00 N ATOM 1441 CA SER A 809 -5.716 -1.082 -9.814 1.00 0.00 C ATOM 1442 C SER A 809 -5.673 0.443 -9.774 1.00 0.00 C ATOM 1443 O SER A 809 -6.395 1.121 -10.504 1.00 0.00 O ATOM 1444 CB SER A 809 -6.070 -1.571 -11.222 1.00 0.00 C ATOM 1445 OG SER A 809 -5.043 -1.249 -12.147 1.00 0.00 O ATOM 0 H SER A 809 -7.479 -0.966 -8.706 1.00 0.00 H new ATOM 0 HA SER A 809 -4.730 -1.470 -9.559 1.00 0.00 H new ATOM 0 HB2 SER A 809 -6.226 -2.650 -11.207 1.00 0.00 H new ATOM 0 HB3 SER A 809 -7.008 -1.118 -11.543 1.00 0.00 H new ATOM 0 HG SER A 809 -5.292 -1.573 -13.038 1.00 0.00 H new ATOM 1451 N GLN A 810 -4.837 0.968 -8.891 1.00 0.00 N ATOM 1452 CA GLN A 810 -4.576 2.401 -8.814 1.00 0.00 C ATOM 1453 C GLN A 810 -3.083 2.641 -8.558 1.00 0.00 C ATOM 1454 O GLN A 810 -2.346 1.670 -8.374 1.00 0.00 O ATOM 1455 CB GLN A 810 -5.452 3.062 -7.749 1.00 0.00 C ATOM 1456 CG GLN A 810 -6.695 3.708 -8.340 1.00 0.00 C ATOM 1457 CD GLN A 810 -7.444 4.580 -7.356 1.00 0.00 C ATOM 1458 OE1 GLN A 810 -7.214 5.785 -7.265 1.00 0.00 O ATOM 1459 NE2 GLN A 810 -8.331 3.966 -6.605 1.00 0.00 N ATOM 0 H GLN A 810 -4.320 0.415 -8.207 1.00 0.00 H new ATOM 0 HA GLN A 810 -4.836 2.863 -9.766 1.00 0.00 H new ATOM 0 HB2 GLN A 810 -5.749 2.316 -7.012 1.00 0.00 H new ATOM 0 HB3 GLN A 810 -4.870 3.817 -7.221 1.00 0.00 H new ATOM 0 HG2 GLN A 810 -6.408 4.310 -9.202 1.00 0.00 H new ATOM 0 HG3 GLN A 810 -7.363 2.927 -8.704 1.00 0.00 H new ATOM 0 HE21 GLN A 810 -8.488 2.964 -6.716 1.00 0.00 H new ATOM 0 HE22 GLN A 810 -8.863 4.491 -5.911 1.00 0.00 H new ATOM 1468 N PRO A 811 -2.601 3.907 -8.578 1.00 0.00 N ATOM 1469 CA PRO A 811 -1.171 4.224 -8.408 1.00 0.00 C ATOM 1470 C PRO A 811 -0.463 3.465 -7.277 1.00 0.00 C ATOM 1471 O PRO A 811 -1.017 3.237 -6.199 1.00 0.00 O ATOM 1472 CB PRO A 811 -1.187 5.716 -8.100 1.00 0.00 C ATOM 1473 CG PRO A 811 -2.361 6.235 -8.849 1.00 0.00 C ATOM 1474 CD PRO A 811 -3.391 5.136 -8.828 1.00 0.00 C ATOM 0 HA PRO A 811 -0.611 3.933 -9.297 1.00 0.00 H new ATOM 0 HB2 PRO A 811 -1.285 5.900 -7.030 1.00 0.00 H new ATOM 0 HB3 PRO A 811 -0.265 6.198 -8.423 1.00 0.00 H new ATOM 0 HG2 PRO A 811 -2.749 7.142 -8.385 1.00 0.00 H new ATOM 0 HG3 PRO A 811 -2.087 6.493 -9.872 1.00 0.00 H new ATOM 0 HD2 PRO A 811 -4.133 5.299 -8.046 1.00 0.00 H new ATOM 0 HD3 PRO A 811 -3.931 5.078 -9.773 1.00 0.00 H new ATOM 1482 N ASP A 812 0.773 3.083 -7.567 1.00 0.00 N ATOM 1483 CA ASP A 812 1.664 2.407 -6.624 1.00 0.00 C ATOM 1484 C ASP A 812 2.765 3.361 -6.194 1.00 0.00 C ATOM 1485 O ASP A 812 2.938 4.432 -6.784 1.00 0.00 O ATOM 1486 CB ASP A 812 2.307 1.174 -7.260 1.00 0.00 C ATOM 1487 CG ASP A 812 2.996 1.482 -8.574 1.00 0.00 C ATOM 1488 OD1 ASP A 812 2.328 1.422 -9.628 1.00 0.00 O ATOM 1489 OD2 ASP A 812 4.204 1.795 -8.564 1.00 0.00 O ATOM 0 H ASP A 812 1.196 3.236 -8.482 1.00 0.00 H new ATOM 0 HA ASP A 812 1.071 2.093 -5.765 1.00 0.00 H new ATOM 0 HB2 ASP A 812 3.032 0.749 -6.566 1.00 0.00 H new ATOM 0 HB3 ASP A 812 1.542 0.416 -7.425 1.00 0.00 H new ATOM 1494 N ALA A 813 3.500 2.983 -5.169 1.00 0.00 N ATOM 1495 CA ALA A 813 4.633 3.781 -4.716 1.00 0.00 C ATOM 1496 C ALA A 813 5.888 2.931 -4.659 1.00 0.00 C ATOM 1497 O ALA A 813 5.854 1.798 -4.192 1.00 0.00 O ATOM 1498 CB ALA A 813 4.375 4.406 -3.362 1.00 0.00 C ATOM 0 H ALA A 813 3.338 2.131 -4.631 1.00 0.00 H new ATOM 0 HA ALA A 813 4.772 4.587 -5.437 1.00 0.00 H new ATOM 0 HB1 ALA A 813 5.243 4.992 -3.060 1.00 0.00 H new ATOM 0 HB2 ALA A 813 3.502 5.055 -3.421 1.00 0.00 H new ATOM 0 HB3 ALA A 813 4.194 3.621 -2.627 1.00 0.00 H new ATOM 1504 N LYS A 814 6.989 3.483 -5.120 1.00 0.00 N ATOM 1505 CA LYS A 814 8.235 2.749 -5.171 1.00 0.00 C ATOM 1506 C LYS A 814 9.154 3.182 -4.037 1.00 0.00 C ATOM 1507 O LYS A 814 9.600 4.325 -3.988 1.00 0.00 O ATOM 1508 CB LYS A 814 8.920 2.965 -6.517 1.00 0.00 C ATOM 1509 CG LYS A 814 10.035 1.975 -6.779 1.00 0.00 C ATOM 1510 CD LYS A 814 10.732 2.241 -8.102 1.00 0.00 C ATOM 1511 CE LYS A 814 9.806 1.997 -9.282 1.00 0.00 C ATOM 1512 NZ LYS A 814 10.475 2.274 -10.579 1.00 0.00 N ATOM 0 H LYS A 814 7.047 4.441 -5.466 1.00 0.00 H new ATOM 0 HA LYS A 814 8.017 1.687 -5.055 1.00 0.00 H new ATOM 0 HB2 LYS A 814 8.179 2.888 -7.312 1.00 0.00 H new ATOM 0 HB3 LYS A 814 9.324 3.977 -6.555 1.00 0.00 H new ATOM 0 HG2 LYS A 814 10.763 2.026 -5.969 1.00 0.00 H new ATOM 0 HG3 LYS A 814 9.629 0.963 -6.780 1.00 0.00 H new ATOM 0 HD2 LYS A 814 11.088 3.271 -8.125 1.00 0.00 H new ATOM 0 HD3 LYS A 814 11.608 1.599 -8.188 1.00 0.00 H new ATOM 0 HE2 LYS A 814 9.461 0.963 -9.265 1.00 0.00 H new ATOM 0 HE3 LYS A 814 8.923 2.629 -9.187 1.00 0.00 H new ATOM 0 HZ1 LYS A 814 9.810 2.095 -11.358 1.00 0.00 H new ATOM 0 HZ2 LYS A 814 10.781 3.267 -10.606 1.00 0.00 H new ATOM 0 HZ3 LYS A 814 11.303 1.653 -10.682 1.00 0.00 H new ATOM 1526 N ILE A 815 9.422 2.260 -3.135 1.00 0.00 N ATOM 1527 CA ILE A 815 10.289 2.505 -1.999 1.00 0.00 C ATOM 1528 C ILE A 815 11.690 1.984 -2.306 1.00 0.00 C ATOM 1529 O ILE A 815 11.915 0.776 -2.384 1.00 0.00 O ATOM 1530 CB ILE A 815 9.754 1.824 -0.718 1.00 0.00 C ATOM 1531 CG1 ILE A 815 8.345 2.326 -0.372 1.00 0.00 C ATOM 1532 CG2 ILE A 815 10.699 2.063 0.449 1.00 0.00 C ATOM 1533 CD1 ILE A 815 7.224 1.581 -1.074 1.00 0.00 C ATOM 0 H ILE A 815 9.043 1.314 -3.169 1.00 0.00 H new ATOM 0 HA ILE A 815 10.318 3.580 -1.822 1.00 0.00 H new ATOM 0 HB ILE A 815 9.696 0.752 -0.909 1.00 0.00 H new ATOM 0 HG12 ILE A 815 8.199 2.247 0.705 1.00 0.00 H new ATOM 0 HG13 ILE A 815 8.277 3.384 -0.626 1.00 0.00 H new ATOM 0 HG21 ILE A 815 10.306 1.576 1.341 1.00 0.00 H new ATOM 0 HG22 ILE A 815 11.680 1.650 0.213 1.00 0.00 H new ATOM 0 HG23 ILE A 815 10.790 3.134 0.630 1.00 0.00 H new ATOM 0 HD11 ILE A 815 6.264 2.000 -0.772 1.00 0.00 H new ATOM 0 HD12 ILE A 815 7.341 1.681 -2.153 1.00 0.00 H new ATOM 0 HD13 ILE A 815 7.261 0.526 -0.801 1.00 0.00 H new ATOM 1545 N GLN A 816 12.618 2.904 -2.493 1.00 0.00 N ATOM 1546 CA GLN A 816 13.992 2.556 -2.823 1.00 0.00 C ATOM 1547 C GLN A 816 14.836 2.518 -1.554 1.00 0.00 C ATOM 1548 O GLN A 816 14.902 3.497 -0.820 1.00 0.00 O ATOM 1549 CB GLN A 816 14.566 3.574 -3.810 1.00 0.00 C ATOM 1550 CG GLN A 816 15.980 3.248 -4.262 1.00 0.00 C ATOM 1551 CD GLN A 816 17.016 4.168 -3.647 1.00 0.00 C ATOM 1552 OE1 GLN A 816 17.476 3.824 -2.458 1.00 0.00 O flip ATOM 1553 NE2 GLN A 816 17.384 5.189 -4.225 1.00 0.00 N flip ATOM 0 H GLN A 816 12.445 3.907 -2.422 1.00 0.00 H new ATOM 0 HA GLN A 816 14.009 1.570 -3.287 1.00 0.00 H new ATOM 0 HB2 GLN A 816 13.917 3.627 -4.684 1.00 0.00 H new ATOM 0 HB3 GLN A 816 14.559 4.561 -3.347 1.00 0.00 H new ATOM 0 HG2 GLN A 816 16.213 2.217 -3.998 1.00 0.00 H new ATOM 0 HG3 GLN A 816 16.036 3.319 -5.348 1.00 0.00 H new ATOM 0 HE21 GLN A 816 17.005 5.420 -5.143 1.00 0.00 H new ATOM 0 HE22 GLN A 816 18.069 5.805 -3.786 1.00 0.00 H new ATOM 1562 N VAL A 817 15.486 1.395 -1.304 1.00 0.00 N ATOM 1563 CA VAL A 817 16.292 1.217 -0.101 1.00 0.00 C ATOM 1564 C VAL A 817 17.755 1.002 -0.481 1.00 0.00 C ATOM 1565 O VAL A 817 18.043 0.261 -1.408 1.00 0.00 O ATOM 1566 CB VAL A 817 15.786 -0.004 0.707 1.00 0.00 C ATOM 1567 CG1 VAL A 817 16.602 -0.214 1.973 1.00 0.00 C ATOM 1568 CG2 VAL A 817 14.312 0.154 1.043 1.00 0.00 C ATOM 0 H VAL A 817 15.473 0.584 -1.922 1.00 0.00 H new ATOM 0 HA VAL A 817 16.204 2.114 0.512 1.00 0.00 H new ATOM 0 HB VAL A 817 15.911 -0.889 0.083 1.00 0.00 H new ATOM 0 HG11 VAL A 817 16.218 -1.079 2.514 1.00 0.00 H new ATOM 0 HG12 VAL A 817 17.646 -0.385 1.709 1.00 0.00 H new ATOM 0 HG13 VAL A 817 16.528 0.671 2.605 1.00 0.00 H new ATOM 0 HG21 VAL A 817 13.973 -0.713 1.611 1.00 0.00 H new ATOM 0 HG22 VAL A 817 14.169 1.056 1.638 1.00 0.00 H new ATOM 0 HG23 VAL A 817 13.735 0.232 0.121 1.00 0.00 H new ATOM 1578 N ARG A 818 18.682 1.663 0.201 1.00 0.00 N ATOM 1579 CA ARG A 818 20.106 1.449 -0.069 1.00 0.00 C ATOM 1580 C ARG A 818 20.923 1.478 1.212 1.00 0.00 C ATOM 1581 O ARG A 818 20.616 2.224 2.138 1.00 0.00 O ATOM 1582 CB ARG A 818 20.671 2.506 -1.030 1.00 0.00 C ATOM 1583 CG ARG A 818 20.139 2.439 -2.453 1.00 0.00 C ATOM 1584 CD ARG A 818 20.456 1.115 -3.126 1.00 0.00 C ATOM 1585 NE ARG A 818 20.034 1.109 -4.524 1.00 0.00 N ATOM 1586 CZ ARG A 818 19.769 0.009 -5.228 1.00 0.00 C ATOM 1587 NH1 ARG A 818 19.869 -1.192 -4.669 1.00 0.00 N ATOM 1588 NH2 ARG A 818 19.400 0.117 -6.496 1.00 0.00 N ATOM 0 H ARG A 818 18.483 2.343 0.935 1.00 0.00 H new ATOM 0 HA ARG A 818 20.183 0.465 -0.532 1.00 0.00 H new ATOM 0 HB2 ARG A 818 20.455 3.495 -0.625 1.00 0.00 H new ATOM 0 HB3 ARG A 818 21.756 2.404 -1.060 1.00 0.00 H new ATOM 0 HG2 ARG A 818 19.059 2.589 -2.442 1.00 0.00 H new ATOM 0 HG3 ARG A 818 20.568 3.253 -3.037 1.00 0.00 H new ATOM 0 HD2 ARG A 818 21.528 0.924 -3.068 1.00 0.00 H new ATOM 0 HD3 ARG A 818 19.958 0.306 -2.591 1.00 0.00 H new ATOM 0 HE ARG A 818 19.935 2.009 -4.994 1.00 0.00 H new ATOM 0 HH11 ARG A 818 20.151 -1.278 -3.692 1.00 0.00 H new ATOM 0 HH12 ARG A 818 19.664 -2.028 -5.216 1.00 0.00 H new ATOM 0 HH21 ARG A 818 19.320 1.038 -6.927 1.00 0.00 H new ATOM 0 HH22 ARG A 818 19.196 -0.721 -7.041 1.00 0.00 H new ATOM 1602 N ARG A 819 21.967 0.662 1.252 1.00 0.00 N ATOM 1603 CA ARG A 819 22.943 0.721 2.330 1.00 0.00 C ATOM 1604 C ARG A 819 24.104 1.613 1.916 1.00 0.00 C ATOM 1605 O ARG A 819 24.789 1.335 0.932 1.00 0.00 O ATOM 1606 CB ARG A 819 23.455 -0.671 2.712 1.00 0.00 C ATOM 1607 CG ARG A 819 23.649 -1.619 1.545 1.00 0.00 C ATOM 1608 CD ARG A 819 22.603 -2.715 1.585 1.00 0.00 C ATOM 1609 NE ARG A 819 22.538 -3.482 0.341 1.00 0.00 N ATOM 1610 CZ ARG A 819 22.340 -4.801 0.284 1.00 0.00 C ATOM 1611 NH1 ARG A 819 22.271 -5.518 1.399 1.00 0.00 N ATOM 1612 NH2 ARG A 819 22.226 -5.403 -0.894 1.00 0.00 N ATOM 0 H ARG A 819 22.160 -0.050 0.548 1.00 0.00 H new ATOM 0 HA ARG A 819 22.452 1.139 3.209 1.00 0.00 H new ATOM 0 HB2 ARG A 819 24.405 -0.562 3.236 1.00 0.00 H new ATOM 0 HB3 ARG A 819 22.753 -1.121 3.415 1.00 0.00 H new ATOM 0 HG2 ARG A 819 23.577 -1.071 0.605 1.00 0.00 H new ATOM 0 HG3 ARG A 819 24.647 -2.056 1.583 1.00 0.00 H new ATOM 0 HD2 ARG A 819 22.822 -3.390 2.412 1.00 0.00 H new ATOM 0 HD3 ARG A 819 21.627 -2.273 1.785 1.00 0.00 H new ATOM 0 HE ARG A 819 22.651 -2.977 -0.538 1.00 0.00 H new ATOM 0 HH11 ARG A 819 22.369 -5.061 2.306 1.00 0.00 H new ATOM 0 HH12 ARG A 819 22.120 -6.525 1.349 1.00 0.00 H new ATOM 0 HH21 ARG A 819 22.290 -4.858 -1.754 1.00 0.00 H new ATOM 0 HH22 ARG A 819 22.075 -6.411 -0.939 1.00 0.00 H new ATOM 1626 N ASP A 820 24.303 2.697 2.641 1.00 0.00 N ATOM 1627 CA ASP A 820 25.383 3.622 2.337 1.00 0.00 C ATOM 1628 C ASP A 820 26.525 3.439 3.322 1.00 0.00 C ATOM 1629 O ASP A 820 27.678 3.303 2.919 1.00 99.99 O ATOM 1630 CB ASP A 820 24.890 5.074 2.338 1.00 0.00 C ATOM 1631 CG ASP A 820 24.467 5.569 3.705 1.00 0.00 C ATOM 1632 OD1 ASP A 820 23.361 5.211 4.159 1.00 0.00 O ATOM 1633 OD2 ASP A 820 25.222 6.345 4.324 1.00 0.00 O ATOM 0 H ASP A 820 23.733 2.961 3.444 1.00 0.00 H new ATOM 0 HA ASP A 820 25.748 3.400 1.334 1.00 0.00 H new ATOM 0 HB2 ASP A 820 25.682 5.718 1.957 1.00 0.00 H new ATOM 0 HB3 ASP A 820 24.048 5.164 1.652 1.00 0.00 H new TER 1638 ASP A 820