USER MOD reduce.3.24.130724 H: found=0, std=0, add=1094, rem=0, adj=42 USER MOD reduce.3.24.130724 removed 1100 hydrogens (14 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 NoAdj-H: B 36 ALY H2 : B 36 ALY N : B 35 VAL C :(H bumps) USER MOD Set 1.1: B 42 LYS NZ :NH3+ 162:sc= -0.0744 (180deg=-0.362) USER MOD Set 1.2: B 43 CYS SG : rot 48:sc= -0.309 USER MOD Set 2.1: A 744 SER OG : rot -50:sc= 0.239 USER MOD Set 2.2: A 812 CYS SG : rot 98:sc= 0.897 USER MOD Set 3.1: A 803 ASN : amide:sc= -12.7! C(o=-16!,f=-17!) USER MOD Set 3.2: A 807 SER OG : rot 139:sc= -1.25 USER MOD Set 3.3: A 809 TYR OH : rot 0:sc= -2.25! USER MOD Set 4.1: A 798 ASN : amide:sc= -7.56! C(o=-18!,f=-18!) USER MOD Set 4.2: A 799 CYS SG : rot -153:sc= -10.5! USER MOD Set 5.1: A 789 MET CE :methyl -133:sc= -14.1! (180deg=-14!) USER MOD Set 5.2: A 793 GLN : amide:sc= -6.66! C(o=-21!,f=-20!) USER MOD Set 6.1: A 773 MET CE :methyl -114:sc= -10.5! (180deg=-11.8!) USER MOD Set 6.2: A 782 TYR OH : rot -33:sc= -5.73! USER MOD Set 7.1: A 734 SER OG : rot 180:sc= 0 USER MOD Set 7.2: A 738 GLN : amide:sc= -9.98! C(o=-10!,f=-4.3!) USER MOD Set 7.3: A 823 LYS NZ :NH3+ 152:sc= 0.00387 (180deg=0) USER MOD Single : A 716 SER OG : rot 180:sc= 0 USER MOD Single : A 717 HIS : no HD1:sc=-0.00722 X(o=-0.0072,f=-0.11) USER MOD Single : A 718 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 719 SER OG : rot 180:sc= 0 USER MOD Single : A 720 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 727 GLN : amide:sc= -4.74! K(o=-4.7!,f=-0.44) USER MOD Single : A 729 TYR OH : rot 180:sc= 0 USER MOD Single : A 730 SER OG : rot 180:sc= 0 USER MOD Single : A 731 THR OG1 : rot 95:sc= 1.16 USER MOD Single : A 733 LYS NZ :NH3+ 163:sc= -0.411 (180deg=-1.14) USER MOD Single : A 737 GLN : amide:sc= 0 X(o=0,f=0.029) USER MOD Single : A 740 LYS NZ :NH3+ -173:sc= -3.03! (180deg=-3.19!) USER MOD Single : A 741 SER OG : rot -14:sc= -0.0596 USER MOD Single : A 742 HIS : no HD1:sc= -10.2! C(o=-10!,f=-20!) USER MOD Single : A 743 GLN : amide:sc= 0 K(o=0,f=-0.6) USER MOD Single : A 749 MET CE :methyl -127:sc= -3.23! (180deg=-7.25!) USER MOD Single : A 753 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 755 THR OG1 : rot 180:sc= 0 USER MOD Single : A 760 TYR OH : rot 180:sc= -0.031 USER MOD Single : A 761 TYR OH : rot 180:sc= 0 USER MOD Single : A 768 MET CE :methyl 145:sc= -2.82 (180deg=-5.69!) USER MOD Single : A 771 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 772 THR OG1 : rot 180:sc= -1.56! USER MOD Single : A 774 SER OG : rot -23:sc= -0.273 USER MOD Single : A 778 LYS NZ :NH3+ 168:sc= 0 (180deg=-0.0771) USER MOD Single : A 779 ASN : amide:sc= -8.3! C(o=-8.3!,f=-3.8!) USER MOD Single : A 781 TYR OH : rot 111:sc= -1.15! USER MOD Single : A 784 SER OG : rot 42:sc= 0.543 USER MOD Single : A 785 LYS NZ :NH3+ 156:sc= -0.834 (180deg=-1.91) USER MOD Single : A 786 LYS NZ :NH3+ 161:sc= -0.0979 (180deg=-0.561) USER MOD Single : A 797 THR OG1 : rot -62:sc= 1.24 USER MOD Single : A 800 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 802 TYR OH : rot 37:sc= -0.34 USER MOD Single : A 810 TYR OH : rot 119:sc= 0.0623 USER MOD Single : A 811 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 814 ASN : amide:sc= -1.59! K(o=-1.6!,f=-0.082) USER MOD Single : A 818 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0263) USER MOD Single : A 822 SER OG : rot 180:sc= 0 USER MOD Single : A 825 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 832 LYS NZ :NH3+ 168:sc= -0.0173 (180deg=-0.186) USER MOD Single : B 31 SER OG : rot -28:sc= 0.0406 USER MOD Single : B 32 THR OG1 : rot 180:sc= 0 USER MOD Single : B 37 LYS NZ :NH3+ 170:sc= -0.0101 (180deg=-0.16) USER MOD Single : B 39 HIS : no HD1:sc= -2.52 K(o=-2.5,f=-5.3!) USER MOD Single : B 41 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 715 -11.215 10.534 8.664 1.00 0.00 N ATOM 2 CA GLY A 715 -12.399 10.095 7.876 1.00 0.00 C ATOM 3 C GLY A 715 -13.672 10.081 8.698 1.00 0.00 C ATOM 4 O GLY A 715 -14.369 11.092 8.790 1.00 0.00 O ATOM 0 HA2 GLY A 715 -12.529 10.760 7.022 1.00 0.00 H new ATOM 0 HA3 GLY A 715 -12.217 9.097 7.478 1.00 0.00 H new ATOM 10 N SER A 716 -13.974 8.930 9.295 1.00 0.00 N ATOM 11 CA SER A 716 -15.171 8.779 10.116 1.00 0.00 C ATOM 12 C SER A 716 -16.426 9.127 9.321 1.00 0.00 C ATOM 13 O SER A 716 -16.947 10.238 9.419 1.00 0.00 O ATOM 14 CB SER A 716 -15.080 9.660 11.364 1.00 0.00 C ATOM 15 OG SER A 716 -16.243 9.534 12.163 1.00 0.00 O ATOM 0 H SER A 716 -13.404 8.087 9.225 1.00 0.00 H new ATOM 0 HA SER A 716 -15.237 7.736 10.424 1.00 0.00 H new ATOM 0 HB2 SER A 716 -14.202 9.381 11.947 1.00 0.00 H new ATOM 0 HB3 SER A 716 -14.949 10.701 11.069 1.00 0.00 H new ATOM 0 HG SER A 716 -16.159 10.105 12.955 1.00 0.00 H new ATOM 21 N HIS A 717 -16.905 8.168 8.536 1.00 0.00 N ATOM 22 CA HIS A 717 -18.102 8.369 7.725 1.00 0.00 C ATOM 23 C HIS A 717 -18.783 7.039 7.421 1.00 0.00 C ATOM 24 O HIS A 717 -18.141 6.084 6.981 1.00 0.00 O ATOM 25 CB HIS A 717 -17.749 9.089 6.421 1.00 0.00 C ATOM 26 CG HIS A 717 -16.666 8.417 5.635 1.00 0.00 C ATOM 27 ND1 HIS A 717 -16.920 7.503 4.634 1.00 0.00 N ATOM 28 CD2 HIS A 717 -15.319 8.533 5.703 1.00 0.00 C ATOM 29 CE1 HIS A 717 -15.775 7.085 4.122 1.00 0.00 C ATOM 30 NE2 HIS A 717 -14.791 7.695 4.753 1.00 0.00 N ATOM 0 H HIS A 717 -16.483 7.244 8.444 1.00 0.00 H new ATOM 0 HA HIS A 717 -18.795 8.988 8.294 1.00 0.00 H new ATOM 0 HB2 HIS A 717 -18.644 9.160 5.802 1.00 0.00 H new ATOM 0 HB3 HIS A 717 -17.439 10.108 6.652 1.00 0.00 H new ATOM 0 HD2 HIS A 717 -14.764 9.167 6.379 1.00 0.00 H new ATOM 0 HE1 HIS A 717 -15.665 6.367 3.323 1.00 0.00 H new ATOM 0 HE2 HIS A 717 -13.797 7.565 4.565 1.00 0.00 H new ATOM 39 N MET A 718 -20.089 6.983 7.664 1.00 0.00 N ATOM 40 CA MET A 718 -20.865 5.771 7.419 1.00 0.00 C ATOM 41 C MET A 718 -22.004 6.042 6.442 1.00 0.00 C ATOM 42 O MET A 718 -23.166 6.143 6.839 1.00 0.00 O ATOM 43 CB MET A 718 -21.425 5.225 8.735 1.00 0.00 C ATOM 44 CG MET A 718 -20.354 4.814 9.732 1.00 0.00 C ATOM 45 SD MET A 718 -19.354 3.432 9.149 1.00 0.00 S ATOM 46 CE MET A 718 -18.300 3.154 10.569 1.00 0.00 C ATOM 0 H MET A 718 -20.633 7.764 8.031 1.00 0.00 H new ATOM 0 HA MET A 718 -20.201 5.027 6.977 1.00 0.00 H new ATOM 0 HB2 MET A 718 -22.061 5.983 9.191 1.00 0.00 H new ATOM 0 HB3 MET A 718 -22.059 4.364 8.521 1.00 0.00 H new ATOM 0 HG2 MET A 718 -19.706 5.666 9.934 1.00 0.00 H new ATOM 0 HG3 MET A 718 -20.827 4.542 10.676 1.00 0.00 H new ATOM 0 HE1 MET A 718 -17.622 2.326 10.362 1.00 0.00 H new ATOM 0 HE2 MET A 718 -17.721 4.055 10.774 1.00 0.00 H new ATOM 0 HE3 MET A 718 -18.914 2.912 11.436 1.00 0.00 H new ATOM 56 N SER A 719 -21.664 6.159 5.162 1.00 0.00 N ATOM 57 CA SER A 719 -22.658 6.418 4.127 1.00 0.00 C ATOM 58 C SER A 719 -22.209 5.845 2.786 1.00 0.00 C ATOM 59 O SER A 719 -23.008 5.270 2.047 1.00 0.00 O ATOM 60 CB SER A 719 -22.908 7.922 3.994 1.00 0.00 C ATOM 61 OG SER A 719 -21.719 8.609 3.645 1.00 0.00 O ATOM 0 H SER A 719 -20.707 6.078 4.817 1.00 0.00 H new ATOM 0 HA SER A 719 -23.586 5.927 4.419 1.00 0.00 H new ATOM 0 HB2 SER A 719 -23.671 8.101 3.236 1.00 0.00 H new ATOM 0 HB3 SER A 719 -23.295 8.314 4.935 1.00 0.00 H new ATOM 0 HG SER A 719 -21.907 9.568 3.565 1.00 0.00 H new ATOM 67 N LYS A 720 -20.925 6.006 2.480 1.00 0.00 N ATOM 68 CA LYS A 720 -20.366 5.506 1.231 1.00 0.00 C ATOM 69 C LYS A 720 -19.370 4.381 1.490 1.00 0.00 C ATOM 70 O LYS A 720 -18.287 4.611 2.030 1.00 0.00 O ATOM 71 CB LYS A 720 -19.689 6.636 0.469 1.00 0.00 C ATOM 72 CG LYS A 720 -20.613 7.800 0.151 1.00 0.00 C ATOM 73 CD LYS A 720 -19.890 8.904 -0.607 1.00 0.00 C ATOM 74 CE LYS A 720 -19.465 8.446 -1.993 1.00 0.00 C ATOM 75 NZ LYS A 720 -18.820 9.542 -2.767 1.00 0.00 N ATOM 0 H LYS A 720 -20.252 6.480 3.082 1.00 0.00 H new ATOM 0 HA LYS A 720 -21.183 5.108 0.629 1.00 0.00 H new ATOM 0 HB2 LYS A 720 -18.846 7.003 1.055 1.00 0.00 H new ATOM 0 HB3 LYS A 720 -19.283 6.242 -0.462 1.00 0.00 H new ATOM 0 HG2 LYS A 720 -21.456 7.444 -0.442 1.00 0.00 H new ATOM 0 HG3 LYS A 720 -21.022 8.203 1.077 1.00 0.00 H new ATOM 0 HD2 LYS A 720 -20.542 9.773 -0.694 1.00 0.00 H new ATOM 0 HD3 LYS A 720 -19.013 9.219 -0.042 1.00 0.00 H new ATOM 0 HE2 LYS A 720 -18.772 7.609 -1.902 1.00 0.00 H new ATOM 0 HE3 LYS A 720 -20.336 8.081 -2.538 1.00 0.00 H new ATOM 0 HZ1 LYS A 720 -18.545 9.189 -3.706 1.00 0.00 H new ATOM 0 HZ2 LYS A 720 -19.489 10.330 -2.876 1.00 0.00 H new ATOM 0 HZ3 LYS A 720 -17.974 9.873 -2.261 1.00 0.00 H new ATOM 89 N GLU A 721 -19.743 3.164 1.101 1.00 0.00 N ATOM 90 CA GLU A 721 -18.881 2.002 1.298 1.00 0.00 C ATOM 91 C GLU A 721 -19.416 0.787 0.541 1.00 0.00 C ATOM 92 O GLU A 721 -20.473 0.246 0.866 1.00 0.00 O ATOM 93 CB GLU A 721 -18.761 1.679 2.789 1.00 0.00 C ATOM 94 CG GLU A 721 -17.898 0.464 3.085 1.00 0.00 C ATOM 95 CD GLU A 721 -17.806 0.164 4.567 1.00 0.00 C ATOM 96 OE1 GLU A 721 -18.684 -0.563 5.080 1.00 0.00 O ATOM 97 OE2 GLU A 721 -16.857 0.653 5.215 1.00 0.00 O ATOM 0 H GLU A 721 -20.634 2.958 0.649 1.00 0.00 H new ATOM 0 HA GLU A 721 -17.894 2.243 0.904 1.00 0.00 H new ATOM 0 HB2 GLU A 721 -18.345 2.543 3.306 1.00 0.00 H new ATOM 0 HB3 GLU A 721 -19.758 1.513 3.197 1.00 0.00 H new ATOM 0 HG2 GLU A 721 -18.307 -0.403 2.567 1.00 0.00 H new ATOM 0 HG3 GLU A 721 -16.896 0.629 2.688 1.00 0.00 H new ATOM 104 N PRO A 722 -18.668 0.359 -0.487 1.00 0.00 N ATOM 105 CA PRO A 722 -19.014 -0.787 -1.321 1.00 0.00 C ATOM 106 C PRO A 722 -19.275 -2.041 -0.503 1.00 0.00 C ATOM 107 O PRO A 722 -20.284 -2.717 -0.699 1.00 0.00 O ATOM 108 CB PRO A 722 -17.797 -0.978 -2.225 1.00 0.00 C ATOM 109 CG PRO A 722 -16.754 -0.072 -1.709 1.00 0.00 C ATOM 110 CD PRO A 722 -17.425 0.981 -0.914 1.00 0.00 C ATOM 0 HA PRO A 722 -19.936 -0.611 -1.875 1.00 0.00 H new ATOM 0 HB2 PRO A 722 -17.457 -2.013 -2.206 1.00 0.00 H new ATOM 0 HB3 PRO A 722 -18.041 -0.741 -3.261 1.00 0.00 H new ATOM 0 HG2 PRO A 722 -16.042 -0.621 -1.093 1.00 0.00 H new ATOM 0 HG3 PRO A 722 -16.191 0.370 -2.531 1.00 0.00 H new ATOM 0 HD2 PRO A 722 -16.818 1.286 -0.062 1.00 0.00 H new ATOM 0 HD3 PRO A 722 -17.610 1.875 -1.510 1.00 0.00 H new ATOM 118 N ARG A 723 -18.361 -2.347 0.416 1.00 0.00 N ATOM 119 CA ARG A 723 -18.492 -3.522 1.265 1.00 0.00 C ATOM 120 C ARG A 723 -18.605 -4.781 0.417 1.00 0.00 C ATOM 121 O ARG A 723 -18.609 -4.711 -0.811 1.00 0.00 O ATOM 122 CB ARG A 723 -19.710 -3.390 2.179 1.00 0.00 C ATOM 123 CG ARG A 723 -19.358 -3.312 3.657 1.00 0.00 C ATOM 124 CD ARG A 723 -18.772 -4.622 4.163 1.00 0.00 C ATOM 125 NE ARG A 723 -19.723 -5.725 4.053 1.00 0.00 N ATOM 126 CZ ARG A 723 -19.450 -6.975 4.414 1.00 0.00 C ATOM 127 NH1 ARG A 723 -18.257 -7.283 4.907 1.00 0.00 N ATOM 128 NH2 ARG A 723 -20.370 -7.922 4.283 1.00 0.00 N ATOM 0 H ARG A 723 -17.521 -1.794 0.589 1.00 0.00 H new ATOM 0 HA ARG A 723 -17.599 -3.598 1.885 1.00 0.00 H new ATOM 0 HB2 ARG A 723 -20.268 -2.496 1.900 1.00 0.00 H new ATOM 0 HB3 ARG A 723 -20.370 -4.242 2.016 1.00 0.00 H new ATOM 0 HG2 ARG A 723 -18.642 -2.506 3.819 1.00 0.00 H new ATOM 0 HG3 ARG A 723 -20.251 -3.066 4.232 1.00 0.00 H new ATOM 0 HD2 ARG A 723 -17.873 -4.860 3.595 1.00 0.00 H new ATOM 0 HD3 ARG A 723 -18.470 -4.506 5.204 1.00 0.00 H new ATOM 0 HE ARG A 723 -20.650 -5.525 3.678 1.00 0.00 H new ATOM 0 HH11 ARG A 723 -17.546 -6.559 5.010 1.00 0.00 H new ATOM 0 HH12 ARG A 723 -18.052 -8.243 5.183 1.00 0.00 H new ATOM 0 HH21 ARG A 723 -21.289 -7.692 3.905 1.00 0.00 H new ATOM 0 HH22 ARG A 723 -20.158 -8.880 4.561 1.00 0.00 H new ATOM 142 N ASP A 724 -18.700 -5.930 1.076 1.00 0.00 N ATOM 143 CA ASP A 724 -18.804 -7.206 0.377 1.00 0.00 C ATOM 144 C ASP A 724 -17.566 -7.463 -0.474 1.00 0.00 C ATOM 145 O ASP A 724 -17.065 -6.584 -1.173 1.00 0.00 O ATOM 146 CB ASP A 724 -20.066 -7.258 -0.481 1.00 0.00 C ATOM 147 CG ASP A 724 -20.104 -8.446 -1.419 1.00 0.00 C ATOM 148 OD1 ASP A 724 -20.441 -9.558 -0.960 1.00 0.00 O ATOM 149 OD2 ASP A 724 -19.813 -8.262 -2.616 1.00 0.00 O ATOM 0 H ASP A 724 -18.707 -6.005 2.093 1.00 0.00 H new ATOM 0 HA ASP A 724 -18.871 -7.993 1.128 1.00 0.00 H new ATOM 0 HB2 ASP A 724 -20.939 -7.290 0.171 1.00 0.00 H new ATOM 0 HB3 ASP A 724 -20.138 -6.340 -1.065 1.00 0.00 H new ATOM 154 N PRO A 725 -17.075 -8.698 -0.410 1.00 0.00 N ATOM 155 CA PRO A 725 -15.882 -9.129 -1.126 1.00 0.00 C ATOM 156 C PRO A 725 -15.974 -8.955 -2.637 1.00 0.00 C ATOM 157 O PRO A 725 -14.952 -8.931 -3.313 1.00 0.00 O ATOM 158 CB PRO A 725 -15.753 -10.614 -0.762 1.00 0.00 C ATOM 159 CG PRO A 725 -17.082 -11.005 -0.226 1.00 0.00 C ATOM 160 CD PRO A 725 -17.665 -9.772 0.375 1.00 0.00 C ATOM 0 HA PRO A 725 -15.021 -8.525 -0.841 1.00 0.00 H new ATOM 0 HB2 PRO A 725 -15.490 -11.211 -1.635 1.00 0.00 H new ATOM 0 HB3 PRO A 725 -14.969 -10.770 -0.021 1.00 0.00 H new ATOM 0 HG2 PRO A 725 -17.723 -11.393 -1.018 1.00 0.00 H new ATOM 0 HG3 PRO A 725 -16.985 -11.794 0.520 1.00 0.00 H new ATOM 0 HD2 PRO A 725 -18.753 -9.768 0.306 1.00 0.00 H new ATOM 0 HD3 PRO A 725 -17.412 -9.682 1.431 1.00 0.00 H new ATOM 168 N ASP A 726 -17.187 -8.834 -3.167 1.00 0.00 N ATOM 169 CA ASP A 726 -17.368 -8.670 -4.607 1.00 0.00 C ATOM 170 C ASP A 726 -17.422 -7.197 -4.988 1.00 0.00 C ATOM 171 O ASP A 726 -16.657 -6.754 -5.846 1.00 0.00 O ATOM 172 CB ASP A 726 -18.634 -9.388 -5.082 1.00 0.00 C ATOM 173 CG ASP A 726 -18.779 -9.371 -6.591 1.00 0.00 C ATOM 174 OD1 ASP A 726 -18.274 -10.306 -7.246 1.00 0.00 O ATOM 175 OD2 ASP A 726 -19.397 -8.422 -7.118 1.00 0.00 O ATOM 0 H ASP A 726 -18.053 -8.846 -2.628 1.00 0.00 H new ATOM 0 HA ASP A 726 -16.508 -9.120 -5.103 1.00 0.00 H new ATOM 0 HB2 ASP A 726 -18.615 -10.421 -4.734 1.00 0.00 H new ATOM 0 HB3 ASP A 726 -19.507 -8.916 -4.631 1.00 0.00 H new ATOM 180 N GLN A 727 -18.326 -6.432 -4.366 1.00 0.00 N ATOM 181 CA GLN A 727 -18.415 -5.011 -4.670 1.00 0.00 C ATOM 182 C GLN A 727 -17.040 -4.395 -4.533 1.00 0.00 C ATOM 183 O GLN A 727 -16.618 -3.602 -5.362 1.00 0.00 O ATOM 184 CB GLN A 727 -19.413 -4.292 -3.779 1.00 0.00 C ATOM 185 CG GLN A 727 -20.759 -4.963 -3.744 1.00 0.00 C ATOM 186 CD GLN A 727 -21.761 -4.255 -2.851 1.00 0.00 C ATOM 187 OE1 GLN A 727 -22.465 -3.346 -3.292 1.00 0.00 O ATOM 188 NE2 GLN A 727 -21.838 -4.672 -1.594 1.00 0.00 N ATOM 0 H GLN A 727 -18.989 -6.768 -3.667 1.00 0.00 H new ATOM 0 HA GLN A 727 -18.776 -4.901 -5.693 1.00 0.00 H new ATOM 0 HB2 GLN A 727 -19.014 -4.237 -2.766 1.00 0.00 H new ATOM 0 HB3 GLN A 727 -19.533 -3.267 -4.130 1.00 0.00 H new ATOM 0 HG2 GLN A 727 -21.158 -5.014 -4.757 1.00 0.00 H new ATOM 0 HG3 GLN A 727 -20.636 -5.989 -3.398 1.00 0.00 H new ATOM 0 HE21 GLN A 727 -21.236 -5.429 -1.270 1.00 0.00 H new ATOM 0 HE22 GLN A 727 -22.500 -4.236 -0.952 1.00 0.00 H new ATOM 197 N LEU A 728 -16.338 -4.818 -3.487 1.00 0.00 N ATOM 198 CA LEU A 728 -14.986 -4.357 -3.203 1.00 0.00 C ATOM 199 C LEU A 728 -14.027 -4.916 -4.221 1.00 0.00 C ATOM 200 O LEU A 728 -13.341 -4.174 -4.902 1.00 0.00 O ATOM 201 CB LEU A 728 -14.591 -4.815 -1.811 1.00 0.00 C ATOM 202 CG LEU A 728 -15.329 -4.102 -0.701 1.00 0.00 C ATOM 203 CD1 LEU A 728 -15.108 -4.797 0.629 1.00 0.00 C ATOM 204 CD2 LEU A 728 -14.877 -2.669 -0.640 1.00 0.00 C ATOM 0 H LEU A 728 -16.693 -5.493 -2.810 1.00 0.00 H new ATOM 0 HA LEU A 728 -14.952 -3.269 -3.254 1.00 0.00 H new ATOM 0 HB2 LEU A 728 -14.773 -5.886 -1.726 1.00 0.00 H new ATOM 0 HB3 LEU A 728 -13.520 -4.662 -1.679 1.00 0.00 H new ATOM 0 HG LEU A 728 -16.398 -4.128 -0.911 1.00 0.00 H new ATOM 0 HD11 LEU A 728 -15.649 -4.265 1.412 1.00 0.00 H new ATOM 0 HD12 LEU A 728 -15.472 -5.823 0.569 1.00 0.00 H new ATOM 0 HD13 LEU A 728 -14.044 -4.803 0.864 1.00 0.00 H new ATOM 0 HD21 LEU A 728 -15.408 -2.154 0.160 1.00 0.00 H new ATOM 0 HD22 LEU A 728 -13.805 -2.634 -0.445 1.00 0.00 H new ATOM 0 HD23 LEU A 728 -15.089 -2.180 -1.591 1.00 0.00 H new ATOM 216 N TYR A 729 -14.008 -6.229 -4.346 1.00 0.00 N ATOM 217 CA TYR A 729 -13.135 -6.870 -5.302 1.00 0.00 C ATOM 218 C TYR A 729 -13.014 -6.029 -6.546 1.00 0.00 C ATOM 219 O TYR A 729 -11.937 -5.529 -6.845 1.00 0.00 O ATOM 220 CB TYR A 729 -13.705 -8.240 -5.662 1.00 0.00 C ATOM 221 CG TYR A 729 -13.452 -8.679 -7.078 1.00 0.00 C ATOM 222 CD1 TYR A 729 -12.171 -8.872 -7.482 1.00 0.00 C ATOM 223 CD2 TYR A 729 -14.477 -8.913 -7.985 1.00 0.00 C ATOM 224 CE1 TYR A 729 -11.859 -9.287 -8.750 1.00 0.00 C ATOM 225 CE2 TYR A 729 -14.192 -9.331 -9.275 1.00 0.00 C ATOM 226 CZ TYR A 729 -12.875 -9.518 -9.654 1.00 0.00 C ATOM 227 OH TYR A 729 -12.579 -9.934 -10.931 1.00 0.00 O ATOM 0 H TYR A 729 -14.585 -6.868 -3.799 1.00 0.00 H new ATOM 0 HA TYR A 729 -12.145 -6.986 -4.861 1.00 0.00 H new ATOM 0 HB2 TYR A 729 -13.282 -8.983 -4.986 1.00 0.00 H new ATOM 0 HB3 TYR A 729 -14.781 -8.227 -5.488 1.00 0.00 H new ATOM 0 HD1 TYR A 729 -11.370 -8.692 -6.780 1.00 0.00 H new ATOM 0 HD2 TYR A 729 -15.504 -8.768 -7.683 1.00 0.00 H new ATOM 0 HE1 TYR A 729 -10.828 -9.432 -9.039 1.00 0.00 H new ATOM 0 HE2 TYR A 729 -14.992 -9.509 -9.979 1.00 0.00 H new ATOM 0 HH TYR A 729 -13.410 -10.051 -11.438 1.00 0.00 H new ATOM 237 N SER A 730 -14.108 -5.807 -7.239 1.00 0.00 N ATOM 238 CA SER A 730 -14.014 -5.034 -8.446 1.00 0.00 C ATOM 239 C SER A 730 -14.079 -3.533 -8.215 1.00 0.00 C ATOM 240 O SER A 730 -13.692 -2.762 -9.095 1.00 0.00 O ATOM 241 CB SER A 730 -14.934 -5.527 -9.534 1.00 0.00 C ATOM 242 OG SER A 730 -15.501 -4.453 -10.266 1.00 0.00 O ATOM 0 H SER A 730 -15.041 -6.140 -6.996 1.00 0.00 H new ATOM 0 HA SER A 730 -13.007 -5.206 -8.825 1.00 0.00 H new ATOM 0 HB2 SER A 730 -14.381 -6.178 -10.211 1.00 0.00 H new ATOM 0 HB3 SER A 730 -15.730 -6.128 -9.094 1.00 0.00 H new ATOM 0 HG SER A 730 -16.090 -4.808 -10.964 1.00 0.00 H new ATOM 248 N THR A 731 -14.564 -3.097 -7.053 1.00 0.00 N ATOM 249 CA THR A 731 -14.560 -1.665 -6.775 1.00 0.00 C ATOM 250 C THR A 731 -13.118 -1.298 -6.752 1.00 0.00 C ATOM 251 O THR A 731 -12.619 -0.524 -7.565 1.00 0.00 O ATOM 252 CB THR A 731 -15.184 -1.303 -5.410 1.00 0.00 C ATOM 253 OG1 THR A 731 -16.599 -1.130 -5.549 1.00 0.00 O ATOM 254 CG2 THR A 731 -14.571 -0.028 -4.833 1.00 0.00 C ATOM 0 H THR A 731 -14.950 -3.688 -6.317 1.00 0.00 H new ATOM 0 HA THR A 731 -15.153 -1.137 -7.522 1.00 0.00 H new ATOM 0 HB THR A 731 -14.976 -2.123 -4.723 1.00 0.00 H new ATOM 0 HG1 THR A 731 -17.055 -1.966 -5.318 1.00 0.00 H new ATOM 0 HG21 THR A 731 -15.034 0.196 -3.872 1.00 0.00 H new ATOM 0 HG22 THR A 731 -13.499 -0.170 -4.695 1.00 0.00 H new ATOM 0 HG23 THR A 731 -14.742 0.801 -5.520 1.00 0.00 H new ATOM 262 N LEU A 732 -12.472 -1.940 -5.814 1.00 0.00 N ATOM 263 CA LEU A 732 -11.069 -1.837 -5.605 1.00 0.00 C ATOM 264 C LEU A 732 -10.330 -2.196 -6.890 1.00 0.00 C ATOM 265 O LEU A 732 -9.269 -1.656 -7.173 1.00 0.00 O ATOM 266 CB LEU A 732 -10.676 -2.806 -4.515 1.00 0.00 C ATOM 267 CG LEU A 732 -11.555 -2.883 -3.263 1.00 0.00 C ATOM 268 CD1 LEU A 732 -11.343 -4.221 -2.620 1.00 0.00 C ATOM 269 CD2 LEU A 732 -11.200 -1.787 -2.296 1.00 0.00 C ATOM 0 H LEU A 732 -12.933 -2.569 -5.157 1.00 0.00 H new ATOM 0 HA LEU A 732 -10.810 -0.818 -5.318 1.00 0.00 H new ATOM 0 HB2 LEU A 732 -10.635 -3.803 -4.955 1.00 0.00 H new ATOM 0 HB3 LEU A 732 -9.664 -2.556 -4.196 1.00 0.00 H new ATOM 0 HG LEU A 732 -12.601 -2.758 -3.543 1.00 0.00 H new ATOM 0 HD11 LEU A 732 -11.961 -4.297 -1.725 1.00 0.00 H new ATOM 0 HD12 LEU A 732 -11.620 -5.009 -3.320 1.00 0.00 H new ATOM 0 HD13 LEU A 732 -10.294 -4.331 -2.347 1.00 0.00 H new ATOM 0 HD21 LEU A 732 -11.836 -1.860 -1.414 1.00 0.00 H new ATOM 0 HD22 LEU A 732 -10.156 -1.887 -2.000 1.00 0.00 H new ATOM 0 HD23 LEU A 732 -11.350 -0.818 -2.773 1.00 0.00 H new ATOM 281 N LYS A 733 -10.899 -3.126 -7.664 1.00 0.00 N ATOM 282 CA LYS A 733 -10.283 -3.542 -8.925 1.00 0.00 C ATOM 283 C LYS A 733 -10.070 -2.323 -9.786 1.00 0.00 C ATOM 284 O LYS A 733 -9.155 -2.270 -10.595 1.00 0.00 O ATOM 285 CB LYS A 733 -11.161 -4.563 -9.653 1.00 0.00 C ATOM 286 CG LYS A 733 -10.597 -5.072 -10.965 1.00 0.00 C ATOM 287 CD LYS A 733 -10.935 -6.539 -11.184 1.00 0.00 C ATOM 288 CE LYS A 733 -12.354 -6.728 -11.679 1.00 0.00 C ATOM 289 NZ LYS A 733 -12.764 -5.665 -12.639 1.00 0.00 N ATOM 0 H LYS A 733 -11.775 -3.599 -7.442 1.00 0.00 H new ATOM 0 HA LYS A 733 -9.326 -4.020 -8.717 1.00 0.00 H new ATOM 0 HB2 LYS A 733 -11.328 -5.414 -8.992 1.00 0.00 H new ATOM 0 HB3 LYS A 733 -12.135 -4.112 -9.844 1.00 0.00 H new ATOM 0 HG2 LYS A 733 -10.995 -4.479 -11.788 1.00 0.00 H new ATOM 0 HG3 LYS A 733 -9.515 -4.942 -10.972 1.00 0.00 H new ATOM 0 HD2 LYS A 733 -10.239 -6.967 -11.906 1.00 0.00 H new ATOM 0 HD3 LYS A 733 -10.801 -7.085 -10.250 1.00 0.00 H new ATOM 0 HE2 LYS A 733 -12.442 -7.702 -12.160 1.00 0.00 H new ATOM 0 HE3 LYS A 733 -13.036 -6.729 -10.829 1.00 0.00 H new ATOM 0 HZ1 LYS A 733 -13.606 -5.977 -13.164 1.00 0.00 H new ATOM 0 HZ2 LYS A 733 -12.985 -4.793 -12.118 1.00 0.00 H new ATOM 0 HZ3 LYS A 733 -11.988 -5.482 -13.307 1.00 0.00 H new ATOM 303 N SER A 734 -10.911 -1.328 -9.557 1.00 0.00 N ATOM 304 CA SER A 734 -10.839 -0.079 -10.301 1.00 0.00 C ATOM 305 C SER A 734 -9.863 0.853 -9.619 1.00 0.00 C ATOM 306 O SER A 734 -8.986 1.413 -10.276 1.00 0.00 O ATOM 307 CB SER A 734 -12.217 0.576 -10.410 1.00 0.00 C ATOM 308 OG SER A 734 -12.156 1.767 -11.175 1.00 0.00 O ATOM 0 H SER A 734 -11.654 -1.360 -8.859 1.00 0.00 H new ATOM 0 HA SER A 734 -10.493 -0.291 -11.313 1.00 0.00 H new ATOM 0 HB2 SER A 734 -12.919 -0.120 -10.870 1.00 0.00 H new ATOM 0 HB3 SER A 734 -12.597 0.799 -9.413 1.00 0.00 H new ATOM 0 HG SER A 734 -13.049 2.166 -11.231 1.00 0.00 H new ATOM 314 N ILE A 735 -10.014 1.039 -8.300 1.00 0.00 N ATOM 315 CA ILE A 735 -9.082 1.877 -7.582 1.00 0.00 C ATOM 316 C ILE A 735 -7.694 1.400 -7.926 1.00 0.00 C ATOM 317 O ILE A 735 -6.942 2.108 -8.570 1.00 0.00 O ATOM 318 CB ILE A 735 -9.299 1.865 -6.060 1.00 0.00 C ATOM 319 CG1 ILE A 735 -10.672 2.430 -5.764 1.00 0.00 C ATOM 320 CG2 ILE A 735 -8.236 2.719 -5.367 1.00 0.00 C ATOM 321 CD1 ILE A 735 -11.757 1.411 -5.796 1.00 0.00 C ATOM 0 H ILE A 735 -10.756 0.627 -7.734 1.00 0.00 H new ATOM 0 HA ILE A 735 -9.236 2.913 -7.885 1.00 0.00 H new ATOM 0 HB ILE A 735 -9.222 0.843 -5.689 1.00 0.00 H new ATOM 0 HG12 ILE A 735 -10.657 2.902 -4.781 1.00 0.00 H new ATOM 0 HG13 ILE A 735 -10.898 3.212 -6.489 1.00 0.00 H new ATOM 0 HG21 ILE A 735 -8.401 2.702 -4.290 1.00 0.00 H new ATOM 0 HG22 ILE A 735 -7.247 2.319 -5.589 1.00 0.00 H new ATOM 0 HG23 ILE A 735 -8.302 3.745 -5.728 1.00 0.00 H new ATOM 0 HD11 ILE A 735 -12.711 1.889 -5.575 1.00 0.00 H new ATOM 0 HD12 ILE A 735 -11.800 0.956 -6.786 1.00 0.00 H new ATOM 0 HD13 ILE A 735 -11.555 0.641 -5.051 1.00 0.00 H new ATOM 333 N LEU A 736 -7.398 0.160 -7.556 1.00 0.00 N ATOM 334 CA LEU A 736 -6.114 -0.452 -7.865 1.00 0.00 C ATOM 335 C LEU A 736 -5.715 -0.118 -9.284 1.00 0.00 C ATOM 336 O LEU A 736 -4.687 0.504 -9.527 1.00 0.00 O ATOM 337 CB LEU A 736 -6.208 -1.972 -7.724 1.00 0.00 C ATOM 338 CG LEU A 736 -5.152 -2.593 -6.841 1.00 0.00 C ATOM 339 CD1 LEU A 736 -5.394 -4.064 -6.783 1.00 0.00 C ATOM 340 CD2 LEU A 736 -3.763 -2.257 -7.316 1.00 0.00 C ATOM 0 H LEU A 736 -8.036 -0.444 -7.038 1.00 0.00 H new ATOM 0 HA LEU A 736 -5.369 -0.066 -7.170 1.00 0.00 H new ATOM 0 HB2 LEU A 736 -7.190 -2.226 -7.325 1.00 0.00 H new ATOM 0 HB3 LEU A 736 -6.141 -2.420 -8.716 1.00 0.00 H new ATOM 0 HG LEU A 736 -5.223 -2.182 -5.834 1.00 0.00 H new ATOM 0 HD11 LEU A 736 -4.641 -4.532 -6.149 1.00 0.00 H new ATOM 0 HD12 LEU A 736 -6.385 -4.254 -6.370 1.00 0.00 H new ATOM 0 HD13 LEU A 736 -5.334 -4.483 -7.788 1.00 0.00 H new ATOM 0 HD21 LEU A 736 -3.030 -2.721 -6.656 1.00 0.00 H new ATOM 0 HD22 LEU A 736 -3.625 -2.630 -8.331 1.00 0.00 H new ATOM 0 HD23 LEU A 736 -3.627 -1.176 -7.306 1.00 0.00 H new ATOM 352 N GLN A 737 -6.562 -0.542 -10.207 1.00 0.00 N ATOM 353 CA GLN A 737 -6.361 -0.305 -11.632 1.00 0.00 C ATOM 354 C GLN A 737 -5.940 1.137 -11.898 1.00 0.00 C ATOM 355 O GLN A 737 -5.162 1.416 -12.809 1.00 0.00 O ATOM 356 CB GLN A 737 -7.663 -0.619 -12.380 1.00 0.00 C ATOM 357 CG GLN A 737 -7.720 -2.016 -12.959 1.00 0.00 C ATOM 358 CD GLN A 737 -8.917 -2.230 -13.865 1.00 0.00 C ATOM 359 OE1 GLN A 737 -9.989 -2.632 -13.411 1.00 0.00 O ATOM 360 NE2 GLN A 737 -8.740 -1.966 -15.154 1.00 0.00 N ATOM 0 H GLN A 737 -7.412 -1.062 -9.991 1.00 0.00 H new ATOM 0 HA GLN A 737 -5.561 -0.955 -11.987 1.00 0.00 H new ATOM 0 HB2 GLN A 737 -8.503 -0.485 -11.698 1.00 0.00 H new ATOM 0 HB3 GLN A 737 -7.789 0.103 -13.187 1.00 0.00 H new ATOM 0 HG2 GLN A 737 -6.806 -2.209 -13.521 1.00 0.00 H new ATOM 0 HG3 GLN A 737 -7.752 -2.740 -12.145 1.00 0.00 H new ATOM 0 HE21 GLN A 737 -7.835 -1.635 -15.487 1.00 0.00 H new ATOM 0 HE22 GLN A 737 -9.509 -2.094 -15.811 1.00 0.00 H new ATOM 369 N GLN A 738 -6.451 2.038 -11.075 1.00 0.00 N ATOM 370 CA GLN A 738 -6.173 3.462 -11.202 1.00 0.00 C ATOM 371 C GLN A 738 -4.878 3.883 -10.496 1.00 0.00 C ATOM 372 O GLN A 738 -4.005 4.498 -11.107 1.00 0.00 O ATOM 373 CB GLN A 738 -7.366 4.236 -10.657 1.00 0.00 C ATOM 374 CG GLN A 738 -8.511 4.280 -11.653 1.00 0.00 C ATOM 375 CD GLN A 738 -9.865 4.477 -11.003 1.00 0.00 C ATOM 376 OE1 GLN A 738 -10.729 5.173 -11.539 1.00 0.00 O ATOM 377 NE2 GLN A 738 -10.065 3.843 -9.858 1.00 0.00 N ATOM 0 H GLN A 738 -7.071 1.804 -10.299 1.00 0.00 H new ATOM 0 HA GLN A 738 -6.022 3.689 -12.257 1.00 0.00 H new ATOM 0 HB2 GLN A 738 -7.707 3.773 -9.731 1.00 0.00 H new ATOM 0 HB3 GLN A 738 -7.059 5.252 -10.411 1.00 0.00 H new ATOM 0 HG2 GLN A 738 -8.335 5.089 -12.362 1.00 0.00 H new ATOM 0 HG3 GLN A 738 -8.522 3.352 -12.224 1.00 0.00 H new ATOM 0 HE21 GLN A 738 -9.320 3.278 -9.451 1.00 0.00 H new ATOM 0 HE22 GLN A 738 -10.964 3.920 -9.383 1.00 0.00 H new ATOM 386 N VAL A 739 -4.763 3.554 -9.212 1.00 0.00 N ATOM 387 CA VAL A 739 -3.602 3.888 -8.421 1.00 0.00 C ATOM 388 C VAL A 739 -2.352 3.345 -9.074 1.00 0.00 C ATOM 389 O VAL A 739 -1.284 3.926 -8.954 1.00 0.00 O ATOM 390 CB VAL A 739 -3.717 3.314 -6.990 1.00 0.00 C ATOM 391 CG1 VAL A 739 -5.144 2.992 -6.616 1.00 0.00 C ATOM 392 CG2 VAL A 739 -2.825 2.108 -6.838 1.00 0.00 C ATOM 0 H VAL A 739 -5.481 3.046 -8.697 1.00 0.00 H new ATOM 0 HA VAL A 739 -3.544 4.975 -8.360 1.00 0.00 H new ATOM 0 HB VAL A 739 -3.382 4.085 -6.297 1.00 0.00 H new ATOM 0 HG11 VAL A 739 -5.173 2.592 -5.603 1.00 0.00 H new ATOM 0 HG12 VAL A 739 -5.747 3.899 -6.666 1.00 0.00 H new ATOM 0 HG13 VAL A 739 -5.544 2.252 -7.310 1.00 0.00 H new ATOM 0 HG21 VAL A 739 -2.916 1.714 -5.826 1.00 0.00 H new ATOM 0 HG22 VAL A 739 -3.124 1.342 -7.554 1.00 0.00 H new ATOM 0 HG23 VAL A 739 -1.790 2.395 -7.024 1.00 0.00 H new ATOM 402 N LYS A 740 -2.485 2.209 -9.740 1.00 0.00 N ATOM 403 CA LYS A 740 -1.351 1.623 -10.410 1.00 0.00 C ATOM 404 C LYS A 740 -1.185 2.287 -11.759 1.00 0.00 C ATOM 405 O LYS A 740 -0.091 2.658 -12.139 1.00 0.00 O ATOM 406 CB LYS A 740 -1.487 0.120 -10.533 1.00 0.00 C ATOM 407 CG LYS A 740 -2.624 -0.275 -11.402 1.00 0.00 C ATOM 408 CD LYS A 740 -3.068 -1.707 -11.147 1.00 0.00 C ATOM 409 CE LYS A 740 -2.191 -2.718 -11.876 1.00 0.00 C ATOM 410 NZ LYS A 740 -0.871 -2.153 -12.274 1.00 0.00 N ATOM 0 H LYS A 740 -3.356 1.686 -9.827 1.00 0.00 H new ATOM 0 HA LYS A 740 -0.454 1.795 -9.815 1.00 0.00 H new ATOM 0 HB2 LYS A 740 -0.563 -0.294 -10.937 1.00 0.00 H new ATOM 0 HB3 LYS A 740 -1.623 -0.312 -9.542 1.00 0.00 H new ATOM 0 HG2 LYS A 740 -3.462 0.400 -11.230 1.00 0.00 H new ATOM 0 HG3 LYS A 740 -2.336 -0.166 -12.448 1.00 0.00 H new ATOM 0 HD2 LYS A 740 -3.040 -1.909 -10.076 1.00 0.00 H new ATOM 0 HD3 LYS A 740 -4.103 -1.828 -11.468 1.00 0.00 H new ATOM 0 HE2 LYS A 740 -2.032 -3.584 -11.234 1.00 0.00 H new ATOM 0 HE3 LYS A 740 -2.713 -3.071 -12.765 1.00 0.00 H new ATOM 0 HZ1 LYS A 740 -0.364 -2.840 -12.867 1.00 0.00 H new ATOM 0 HZ2 LYS A 740 -1.017 -1.274 -12.811 1.00 0.00 H new ATOM 0 HZ3 LYS A 740 -0.310 -1.949 -11.423 1.00 0.00 H new ATOM 424 N SER A 741 -2.283 2.487 -12.476 1.00 0.00 N ATOM 425 CA SER A 741 -2.193 3.162 -13.757 1.00 0.00 C ATOM 426 C SER A 741 -1.605 4.552 -13.537 1.00 0.00 C ATOM 427 O SER A 741 -1.277 5.269 -14.483 1.00 0.00 O ATOM 428 CB SER A 741 -3.561 3.269 -14.421 1.00 0.00 C ATOM 429 OG SER A 741 -4.419 4.131 -13.696 1.00 0.00 O ATOM 0 H SER A 741 -3.222 2.199 -12.200 1.00 0.00 H new ATOM 0 HA SER A 741 -1.550 2.583 -14.420 1.00 0.00 H new ATOM 0 HB2 SER A 741 -3.445 3.640 -15.439 1.00 0.00 H new ATOM 0 HB3 SER A 741 -4.012 2.279 -14.492 1.00 0.00 H new ATOM 0 HG SER A 741 -4.040 4.299 -12.808 1.00 0.00 H new ATOM 435 N HIS A 742 -1.482 4.910 -12.259 1.00 0.00 N ATOM 436 CA HIS A 742 -0.943 6.193 -11.848 1.00 0.00 C ATOM 437 C HIS A 742 0.513 6.365 -12.292 1.00 0.00 C ATOM 438 O HIS A 742 1.301 5.422 -12.291 1.00 0.00 O ATOM 439 CB HIS A 742 -1.055 6.341 -10.320 1.00 0.00 C ATOM 440 CG HIS A 742 -0.685 7.703 -9.818 1.00 0.00 C ATOM 441 ND1 HIS A 742 0.303 8.478 -10.379 1.00 0.00 N ATOM 442 CD2 HIS A 742 -1.193 8.434 -8.809 1.00 0.00 C ATOM 443 CE1 HIS A 742 0.388 9.622 -9.744 1.00 0.00 C ATOM 444 NE2 HIS A 742 -0.511 9.626 -8.782 1.00 0.00 N ATOM 0 H HIS A 742 -1.757 4.311 -11.481 1.00 0.00 H new ATOM 0 HA HIS A 742 -1.528 6.974 -12.333 1.00 0.00 H new ATOM 0 HB2 HIS A 742 -2.078 6.117 -10.016 1.00 0.00 H new ATOM 0 HB3 HIS A 742 -0.412 5.601 -9.844 1.00 0.00 H new ATOM 0 HD2 HIS A 742 -1.990 8.138 -8.143 1.00 0.00 H new ATOM 0 HE1 HIS A 742 1.076 10.423 -9.971 1.00 0.00 H new ATOM 0 HE2 HIS A 742 -0.674 10.389 -8.125 1.00 0.00 H new ATOM 453 N GLN A 743 0.838 7.591 -12.688 1.00 0.00 N ATOM 454 CA GLN A 743 2.175 7.974 -13.119 1.00 0.00 C ATOM 455 C GLN A 743 3.221 7.765 -12.010 1.00 0.00 C ATOM 456 O GLN A 743 4.425 7.809 -12.264 1.00 0.00 O ATOM 457 CB GLN A 743 2.121 9.442 -13.537 1.00 0.00 C ATOM 458 CG GLN A 743 3.469 10.110 -13.567 1.00 0.00 C ATOM 459 CD GLN A 743 3.401 11.570 -13.973 1.00 0.00 C ATOM 460 OE1 GLN A 743 2.524 11.973 -14.738 1.00 0.00 O ATOM 461 NE2 GLN A 743 4.327 12.371 -13.460 1.00 0.00 N ATOM 0 H GLN A 743 0.167 8.359 -12.718 1.00 0.00 H new ATOM 0 HA GLN A 743 2.482 7.343 -13.953 1.00 0.00 H new ATOM 0 HB2 GLN A 743 1.668 9.513 -14.526 1.00 0.00 H new ATOM 0 HB3 GLN A 743 1.472 9.983 -12.849 1.00 0.00 H new ATOM 0 HG2 GLN A 743 3.927 10.034 -12.581 1.00 0.00 H new ATOM 0 HG3 GLN A 743 4.117 9.576 -14.262 1.00 0.00 H new ATOM 0 HE21 GLN A 743 5.035 11.994 -12.830 1.00 0.00 H new ATOM 0 HE22 GLN A 743 4.330 13.363 -13.696 1.00 0.00 H new ATOM 470 N SER A 744 2.755 7.528 -10.788 1.00 0.00 N ATOM 471 CA SER A 744 3.636 7.319 -9.637 1.00 0.00 C ATOM 472 C SER A 744 3.571 5.883 -9.184 1.00 0.00 C ATOM 473 O SER A 744 4.077 5.515 -8.125 1.00 0.00 O ATOM 474 CB SER A 744 3.218 8.231 -8.483 1.00 0.00 C ATOM 475 OG SER A 744 3.851 9.496 -8.569 1.00 0.00 O ATOM 0 H SER A 744 1.761 7.475 -10.565 1.00 0.00 H new ATOM 0 HA SER A 744 4.657 7.557 -9.936 1.00 0.00 H new ATOM 0 HB2 SER A 744 2.136 8.362 -8.494 1.00 0.00 H new ATOM 0 HB3 SER A 744 3.472 7.759 -7.534 1.00 0.00 H new ATOM 0 HG SER A 744 4.814 9.372 -8.700 1.00 0.00 H new ATOM 481 N ALA A 745 2.934 5.080 -9.996 1.00 0.00 N ATOM 482 CA ALA A 745 2.747 3.689 -9.683 1.00 0.00 C ATOM 483 C ALA A 745 3.709 2.758 -10.416 1.00 0.00 C ATOM 484 O ALA A 745 3.682 1.557 -10.180 1.00 0.00 O ATOM 485 CB ALA A 745 1.331 3.326 -10.040 1.00 0.00 C ATOM 0 H ALA A 745 2.533 5.370 -10.888 1.00 0.00 H new ATOM 0 HA ALA A 745 2.952 3.557 -8.621 1.00 0.00 H new ATOM 0 HB1 ALA A 745 1.157 2.274 -9.814 1.00 0.00 H new ATOM 0 HB2 ALA A 745 0.641 3.940 -9.462 1.00 0.00 H new ATOM 0 HB3 ALA A 745 1.168 3.500 -11.104 1.00 0.00 H new ATOM 491 N TRP A 746 4.556 3.286 -11.293 1.00 0.00 N ATOM 492 CA TRP A 746 5.467 2.428 -12.052 1.00 0.00 C ATOM 493 C TRP A 746 6.402 1.580 -11.160 1.00 0.00 C ATOM 494 O TRP A 746 6.741 0.457 -11.536 1.00 0.00 O ATOM 495 CB TRP A 746 6.269 3.236 -13.077 1.00 0.00 C ATOM 496 CG TRP A 746 7.003 4.409 -12.505 1.00 0.00 C ATOM 497 CD1 TRP A 746 6.494 5.649 -12.256 1.00 0.00 C ATOM 498 CD2 TRP A 746 8.378 4.453 -12.119 1.00 0.00 C ATOM 499 NE1 TRP A 746 7.472 6.463 -11.735 1.00 0.00 N ATOM 500 CE2 TRP A 746 8.639 5.750 -11.642 1.00 0.00 C ATOM 501 CE3 TRP A 746 9.414 3.518 -12.130 1.00 0.00 C ATOM 502 CZ2 TRP A 746 9.896 6.135 -11.181 1.00 0.00 C ATOM 503 CZ3 TRP A 746 10.661 3.899 -11.673 1.00 0.00 C ATOM 504 CH2 TRP A 746 10.892 5.199 -11.203 1.00 0.00 C ATOM 0 H TRP A 746 4.633 4.283 -11.496 1.00 0.00 H new ATOM 0 HA TRP A 746 4.833 1.720 -12.586 1.00 0.00 H new ATOM 0 HB2 TRP A 746 6.988 2.574 -13.561 1.00 0.00 H new ATOM 0 HB3 TRP A 746 5.590 3.591 -13.853 1.00 0.00 H new ATOM 0 HD1 TRP A 746 5.473 5.948 -12.441 1.00 0.00 H new ATOM 0 HE1 TRP A 746 7.349 7.438 -11.462 1.00 0.00 H new ATOM 0 HE3 TRP A 746 9.244 2.514 -12.490 1.00 0.00 H new ATOM 0 HZ2 TRP A 746 10.077 7.136 -10.819 1.00 0.00 H new ATOM 0 HZ3 TRP A 746 11.470 3.184 -11.678 1.00 0.00 H new ATOM 0 HH2 TRP A 746 11.877 5.467 -10.851 1.00 0.00 H new ATOM 515 N PRO A 747 6.839 2.078 -9.976 1.00 0.00 N ATOM 516 CA PRO A 747 7.712 1.313 -9.071 1.00 0.00 C ATOM 517 C PRO A 747 6.939 0.249 -8.325 1.00 0.00 C ATOM 518 O PRO A 747 7.507 -0.722 -7.818 1.00 0.00 O ATOM 519 CB PRO A 747 8.210 2.349 -8.065 1.00 0.00 C ATOM 520 CG PRO A 747 7.683 3.666 -8.513 1.00 0.00 C ATOM 521 CD PRO A 747 6.519 3.393 -9.409 1.00 0.00 C ATOM 0 HA PRO A 747 8.507 0.808 -9.620 1.00 0.00 H new ATOM 0 HB2 PRO A 747 7.859 2.113 -7.060 1.00 0.00 H new ATOM 0 HB3 PRO A 747 9.299 2.360 -8.028 1.00 0.00 H new ATOM 0 HG2 PRO A 747 7.378 4.269 -7.658 1.00 0.00 H new ATOM 0 HG3 PRO A 747 8.452 4.229 -9.042 1.00 0.00 H new ATOM 0 HD2 PRO A 747 5.580 3.376 -8.856 1.00 0.00 H new ATOM 0 HD3 PRO A 747 6.419 4.153 -10.184 1.00 0.00 H new ATOM 529 N PHE A 748 5.630 0.445 -8.271 1.00 0.00 N ATOM 530 CA PHE A 748 4.749 -0.449 -7.549 1.00 0.00 C ATOM 531 C PHE A 748 3.956 -1.316 -8.512 1.00 0.00 C ATOM 532 O PHE A 748 3.389 -2.335 -8.136 1.00 0.00 O ATOM 533 CB PHE A 748 3.833 0.369 -6.639 1.00 0.00 C ATOM 534 CG PHE A 748 4.451 1.635 -6.114 1.00 0.00 C ATOM 535 CD1 PHE A 748 5.797 1.713 -5.889 1.00 0.00 C ATOM 536 CD2 PHE A 748 3.683 2.745 -5.855 1.00 0.00 C ATOM 537 CE1 PHE A 748 6.380 2.862 -5.415 1.00 0.00 C ATOM 538 CE2 PHE A 748 4.267 3.902 -5.372 1.00 0.00 C ATOM 539 CZ PHE A 748 5.609 3.953 -5.153 1.00 0.00 C ATOM 0 H PHE A 748 5.155 1.225 -8.725 1.00 0.00 H new ATOM 0 HA PHE A 748 5.342 -1.121 -6.928 1.00 0.00 H new ATOM 0 HB2 PHE A 748 2.926 0.622 -7.189 1.00 0.00 H new ATOM 0 HB3 PHE A 748 3.531 -0.251 -5.795 1.00 0.00 H new ATOM 0 HD1 PHE A 748 6.416 0.851 -6.089 1.00 0.00 H new ATOM 0 HD2 PHE A 748 2.618 2.714 -6.030 1.00 0.00 H new ATOM 0 HE1 PHE A 748 7.447 2.900 -5.251 1.00 0.00 H new ATOM 0 HE2 PHE A 748 3.655 4.768 -5.168 1.00 0.00 H new ATOM 0 HZ PHE A 748 6.061 4.857 -4.772 1.00 0.00 H new ATOM 549 N MET A 749 3.950 -0.893 -9.767 1.00 0.00 N ATOM 550 CA MET A 749 3.245 -1.587 -10.838 1.00 0.00 C ATOM 551 C MET A 749 3.402 -3.090 -10.738 1.00 0.00 C ATOM 552 O MET A 749 2.463 -3.847 -10.981 1.00 0.00 O ATOM 553 CB MET A 749 3.791 -1.112 -12.167 1.00 0.00 C ATOM 554 CG MET A 749 3.031 0.057 -12.709 1.00 0.00 C ATOM 555 SD MET A 749 1.724 -0.468 -13.824 1.00 0.00 S ATOM 556 CE MET A 749 0.941 1.103 -14.055 1.00 0.00 C ATOM 0 H MET A 749 4.438 -0.052 -10.075 1.00 0.00 H new ATOM 0 HA MET A 749 2.182 -1.360 -10.751 1.00 0.00 H new ATOM 0 HB2 MET A 749 4.839 -0.838 -12.049 1.00 0.00 H new ATOM 0 HB3 MET A 749 3.755 -1.931 -12.886 1.00 0.00 H new ATOM 0 HG2 MET A 749 2.601 0.627 -11.885 1.00 0.00 H new ATOM 0 HG3 MET A 749 3.714 0.724 -13.235 1.00 0.00 H new ATOM 0 HE1 MET A 749 -0.123 1.015 -13.836 1.00 0.00 H new ATOM 0 HE2 MET A 749 1.390 1.835 -13.384 1.00 0.00 H new ATOM 0 HE3 MET A 749 1.073 1.427 -15.087 1.00 0.00 H new ATOM 566 N GLU A 750 4.600 -3.507 -10.384 1.00 0.00 N ATOM 567 CA GLU A 750 4.917 -4.911 -10.255 1.00 0.00 C ATOM 568 C GLU A 750 5.858 -5.142 -9.084 1.00 0.00 C ATOM 569 O GLU A 750 6.614 -4.250 -8.697 1.00 0.00 O ATOM 570 CB GLU A 750 5.504 -5.435 -11.560 1.00 0.00 C ATOM 571 CG GLU A 750 6.786 -6.213 -11.387 1.00 0.00 C ATOM 572 CD GLU A 750 7.209 -6.942 -12.646 1.00 0.00 C ATOM 573 OE1 GLU A 750 7.910 -6.330 -13.480 1.00 0.00 O ATOM 574 OE2 GLU A 750 6.838 -8.125 -12.801 1.00 0.00 O ATOM 0 H GLU A 750 5.379 -2.882 -10.178 1.00 0.00 H new ATOM 0 HA GLU A 750 4.001 -5.466 -10.051 1.00 0.00 H new ATOM 0 HB2 GLU A 750 4.767 -6.073 -12.048 1.00 0.00 H new ATOM 0 HB3 GLU A 750 5.689 -4.593 -12.227 1.00 0.00 H new ATOM 0 HG2 GLU A 750 7.581 -5.531 -11.084 1.00 0.00 H new ATOM 0 HG3 GLU A 750 6.661 -6.935 -10.580 1.00 0.00 H new ATOM 581 N PRO A 751 5.820 -6.350 -8.508 1.00 0.00 N ATOM 582 CA PRO A 751 6.652 -6.705 -7.368 1.00 0.00 C ATOM 583 C PRO A 751 8.118 -6.724 -7.732 1.00 0.00 C ATOM 584 O PRO A 751 8.538 -7.370 -8.693 1.00 0.00 O ATOM 585 CB PRO A 751 6.169 -8.099 -6.979 1.00 0.00 C ATOM 586 CG PRO A 751 4.859 -8.242 -7.662 1.00 0.00 C ATOM 587 CD PRO A 751 4.995 -7.483 -8.934 1.00 0.00 C ATOM 0 HA PRO A 751 6.565 -5.984 -6.555 1.00 0.00 H new ATOM 0 HB2 PRO A 751 6.871 -8.867 -7.303 1.00 0.00 H new ATOM 0 HB3 PRO A 751 6.066 -8.196 -5.898 1.00 0.00 H new ATOM 0 HG2 PRO A 751 4.627 -9.290 -7.852 1.00 0.00 H new ATOM 0 HG3 PRO A 751 4.051 -7.842 -7.050 1.00 0.00 H new ATOM 0 HD2 PRO A 751 5.477 -8.072 -9.714 1.00 0.00 H new ATOM 0 HD3 PRO A 751 4.030 -7.163 -9.327 1.00 0.00 H new ATOM 595 N VAL A 752 8.873 -5.995 -6.948 1.00 0.00 N ATOM 596 CA VAL A 752 10.296 -5.860 -7.096 1.00 0.00 C ATOM 597 C VAL A 752 10.979 -7.194 -7.343 1.00 0.00 C ATOM 598 O VAL A 752 10.407 -8.259 -7.108 1.00 0.00 O ATOM 599 CB VAL A 752 10.779 -5.257 -5.793 1.00 0.00 C ATOM 600 CG1 VAL A 752 12.271 -5.299 -5.590 1.00 0.00 C ATOM 601 CG2 VAL A 752 10.263 -3.853 -5.655 1.00 0.00 C ATOM 0 H VAL A 752 8.498 -5.462 -6.163 1.00 0.00 H new ATOM 0 HA VAL A 752 10.535 -5.240 -7.960 1.00 0.00 H new ATOM 0 HB VAL A 752 10.371 -5.890 -5.005 1.00 0.00 H new ATOM 0 HG11 VAL A 752 12.521 -4.845 -4.631 1.00 0.00 H new ATOM 0 HG12 VAL A 752 12.611 -6.335 -5.601 1.00 0.00 H new ATOM 0 HG13 VAL A 752 12.763 -4.748 -6.391 1.00 0.00 H new ATOM 0 HG21 VAL A 752 10.615 -3.427 -4.716 1.00 0.00 H new ATOM 0 HG22 VAL A 752 10.626 -3.249 -6.486 1.00 0.00 H new ATOM 0 HG23 VAL A 752 9.173 -3.863 -5.663 1.00 0.00 H new ATOM 611 N LYS A 753 12.214 -7.119 -7.804 1.00 0.00 N ATOM 612 CA LYS A 753 13.000 -8.306 -8.083 1.00 0.00 C ATOM 613 C LYS A 753 13.431 -8.962 -6.785 1.00 0.00 C ATOM 614 O LYS A 753 14.236 -9.894 -6.786 1.00 0.00 O ATOM 615 CB LYS A 753 14.242 -7.914 -8.871 1.00 0.00 C ATOM 616 CG LYS A 753 13.946 -7.232 -10.193 1.00 0.00 C ATOM 617 CD LYS A 753 13.873 -8.231 -11.335 1.00 0.00 C ATOM 618 CE LYS A 753 13.654 -7.533 -12.666 1.00 0.00 C ATOM 619 NZ LYS A 753 13.695 -8.487 -13.809 1.00 0.00 N ATOM 0 H LYS A 753 12.697 -6.241 -7.994 1.00 0.00 H new ATOM 0 HA LYS A 753 12.394 -9.005 -8.659 1.00 0.00 H new ATOM 0 HB2 LYS A 753 14.852 -7.249 -8.260 1.00 0.00 H new ATOM 0 HB3 LYS A 753 14.836 -8.808 -9.060 1.00 0.00 H new ATOM 0 HG2 LYS A 753 13.002 -6.692 -10.121 1.00 0.00 H new ATOM 0 HG3 LYS A 753 14.720 -6.494 -10.404 1.00 0.00 H new ATOM 0 HD2 LYS A 753 14.795 -8.811 -11.373 1.00 0.00 H new ATOM 0 HD3 LYS A 753 13.061 -8.935 -11.153 1.00 0.00 H new ATOM 0 HE2 LYS A 753 12.691 -7.023 -12.654 1.00 0.00 H new ATOM 0 HE3 LYS A 753 14.418 -6.768 -12.804 1.00 0.00 H new ATOM 0 HZ1 LYS A 753 13.541 -7.970 -14.698 1.00 0.00 H new ATOM 0 HZ2 LYS A 753 14.623 -8.956 -13.837 1.00 0.00 H new ATOM 0 HZ3 LYS A 753 12.949 -9.202 -13.691 1.00 0.00 H new ATOM 633 N ARG A 754 12.893 -8.456 -5.679 1.00 0.00 N ATOM 634 CA ARG A 754 13.252 -8.927 -4.359 1.00 0.00 C ATOM 635 C ARG A 754 14.698 -8.551 -4.088 1.00 0.00 C ATOM 636 O ARG A 754 15.195 -8.688 -2.969 1.00 0.00 O ATOM 637 CB ARG A 754 13.072 -10.433 -4.234 1.00 0.00 C ATOM 638 CG ARG A 754 12.092 -10.843 -3.153 1.00 0.00 C ATOM 639 CD ARG A 754 12.143 -12.339 -2.888 1.00 0.00 C ATOM 640 NE ARG A 754 11.968 -13.121 -4.108 1.00 0.00 N ATOM 641 CZ ARG A 754 11.705 -14.424 -4.117 1.00 0.00 C ATOM 642 NH1 ARG A 754 11.574 -15.087 -2.975 1.00 0.00 N ATOM 643 NH2 ARG A 754 11.569 -15.067 -5.270 1.00 0.00 N ATOM 0 H ARG A 754 12.198 -7.710 -5.680 1.00 0.00 H new ATOM 0 HA ARG A 754 12.594 -8.459 -3.627 1.00 0.00 H new ATOM 0 HB2 ARG A 754 12.731 -10.830 -5.190 1.00 0.00 H new ATOM 0 HB3 ARG A 754 14.040 -10.889 -4.026 1.00 0.00 H new ATOM 0 HG2 ARG A 754 12.317 -10.302 -2.234 1.00 0.00 H new ATOM 0 HG3 ARG A 754 11.082 -10.560 -3.450 1.00 0.00 H new ATOM 0 HD2 ARG A 754 13.099 -12.593 -2.430 1.00 0.00 H new ATOM 0 HD3 ARG A 754 11.365 -12.606 -2.172 1.00 0.00 H new ATOM 0 HE ARG A 754 12.052 -12.641 -5.004 1.00 0.00 H new ATOM 0 HH11 ARG A 754 11.675 -14.597 -2.086 1.00 0.00 H new ATOM 0 HH12 ARG A 754 11.372 -16.087 -2.986 1.00 0.00 H new ATOM 0 HH21 ARG A 754 11.666 -14.561 -6.150 1.00 0.00 H new ATOM 0 HH22 ARG A 754 11.367 -16.067 -5.276 1.00 0.00 H new ATOM 657 N THR A 755 15.367 -8.068 -5.137 1.00 0.00 N ATOM 658 CA THR A 755 16.752 -7.666 -5.047 1.00 0.00 C ATOM 659 C THR A 755 17.019 -6.417 -5.876 1.00 0.00 C ATOM 660 O THR A 755 18.109 -5.849 -5.799 1.00 0.00 O ATOM 661 CB THR A 755 17.707 -8.780 -5.484 1.00 0.00 C ATOM 662 OG1 THR A 755 17.537 -9.065 -6.877 1.00 0.00 O ATOM 663 CG2 THR A 755 17.475 -10.040 -4.668 1.00 0.00 C ATOM 0 H THR A 755 14.957 -7.949 -6.063 1.00 0.00 H new ATOM 0 HA THR A 755 16.940 -7.447 -3.996 1.00 0.00 H new ATOM 0 HB THR A 755 18.727 -8.437 -5.313 1.00 0.00 H new ATOM 0 HG1 THR A 755 18.155 -9.778 -7.143 1.00 0.00 H new ATOM 0 HG21 THR A 755 18.165 -10.818 -4.996 1.00 0.00 H new ATOM 0 HG22 THR A 755 17.644 -9.826 -3.613 1.00 0.00 H new ATOM 0 HG23 THR A 755 16.449 -10.381 -4.809 1.00 0.00 H new ATOM 671 N GLU A 756 16.037 -5.982 -6.681 1.00 0.00 N ATOM 672 CA GLU A 756 16.213 -4.754 -7.435 1.00 0.00 C ATOM 673 C GLU A 756 16.323 -3.712 -6.364 1.00 0.00 C ATOM 674 O GLU A 756 16.881 -2.627 -6.529 1.00 0.00 O ATOM 675 CB GLU A 756 15.046 -4.485 -8.382 1.00 0.00 C ATOM 676 CG GLU A 756 14.008 -3.580 -7.822 1.00 0.00 C ATOM 677 CD GLU A 756 12.652 -3.737 -8.486 1.00 0.00 C ATOM 678 OE1 GLU A 756 12.453 -4.737 -9.207 1.00 0.00 O ATOM 679 OE2 GLU A 756 11.791 -2.854 -8.291 1.00 0.00 O ATOM 0 H GLU A 756 15.143 -6.453 -6.818 1.00 0.00 H new ATOM 0 HA GLU A 756 17.082 -4.782 -8.092 1.00 0.00 H new ATOM 0 HB2 GLU A 756 15.433 -4.051 -9.304 1.00 0.00 H new ATOM 0 HB3 GLU A 756 14.581 -5.434 -8.647 1.00 0.00 H new ATOM 0 HG2 GLU A 756 13.906 -3.772 -6.754 1.00 0.00 H new ATOM 0 HG3 GLU A 756 14.340 -2.547 -7.930 1.00 0.00 H new ATOM 686 N ALA A 757 15.761 -4.129 -5.239 1.00 0.00 N ATOM 687 CA ALA A 757 15.776 -3.398 -4.013 1.00 0.00 C ATOM 688 C ALA A 757 16.778 -4.035 -3.089 1.00 0.00 C ATOM 689 O ALA A 757 16.515 -5.055 -2.455 1.00 0.00 O ATOM 690 CB ALA A 757 14.444 -3.390 -3.380 1.00 0.00 C ATOM 0 H ALA A 757 15.268 -5.019 -5.169 1.00 0.00 H new ATOM 0 HA ALA A 757 16.051 -2.364 -4.218 1.00 0.00 H new ATOM 0 HB1 ALA A 757 14.487 -2.826 -2.448 1.00 0.00 H new ATOM 0 HB2 ALA A 757 13.724 -2.924 -4.053 1.00 0.00 H new ATOM 0 HB3 ALA A 757 14.135 -4.414 -3.170 1.00 0.00 H new ATOM 696 N PRO A 758 17.948 -3.443 -3.049 1.00 0.00 N ATOM 697 CA PRO A 758 19.056 -3.906 -2.226 1.00 0.00 C ATOM 698 C PRO A 758 18.740 -3.782 -0.750 1.00 0.00 C ATOM 699 O PRO A 758 19.123 -2.815 -0.091 1.00 0.00 O ATOM 700 CB PRO A 758 20.190 -2.963 -2.632 1.00 0.00 C ATOM 701 CG PRO A 758 19.476 -1.744 -3.121 1.00 0.00 C ATOM 702 CD PRO A 758 18.273 -2.245 -3.814 1.00 0.00 C ATOM 0 HA PRO A 758 19.293 -4.959 -2.375 1.00 0.00 H new ATOM 0 HB2 PRO A 758 20.842 -2.734 -1.789 1.00 0.00 H new ATOM 0 HB3 PRO A 758 20.816 -3.400 -3.410 1.00 0.00 H new ATOM 0 HG2 PRO A 758 19.208 -1.088 -2.293 1.00 0.00 H new ATOM 0 HG3 PRO A 758 20.106 -1.164 -3.796 1.00 0.00 H new ATOM 0 HD2 PRO A 758 17.461 -1.518 -3.795 1.00 0.00 H new ATOM 0 HD3 PRO A 758 18.473 -2.473 -4.861 1.00 0.00 H new ATOM 710 N GLY A 759 18.055 -4.787 -0.240 1.00 0.00 N ATOM 711 CA GLY A 759 17.648 -4.782 1.140 1.00 0.00 C ATOM 712 C GLY A 759 16.149 -4.661 1.238 1.00 0.00 C ATOM 713 O GLY A 759 15.592 -4.484 2.303 1.00 0.00 O ATOM 0 H GLY A 759 17.772 -5.614 -0.765 1.00 0.00 H new ATOM 0 HA2 GLY A 759 17.979 -5.699 1.628 1.00 0.00 H new ATOM 0 HA3 GLY A 759 18.123 -3.952 1.664 1.00 0.00 H new ATOM 717 N TYR A 760 15.495 -4.750 0.102 1.00 0.00 N ATOM 718 CA TYR A 760 14.055 -4.659 0.034 1.00 0.00 C ATOM 719 C TYR A 760 13.352 -5.385 1.175 1.00 0.00 C ATOM 720 O TYR A 760 12.731 -4.766 2.026 1.00 0.00 O ATOM 721 CB TYR A 760 13.648 -5.286 -1.292 1.00 0.00 C ATOM 722 CG TYR A 760 12.215 -5.126 -1.692 1.00 0.00 C ATOM 723 CD1 TYR A 760 11.483 -4.027 -1.312 1.00 0.00 C ATOM 724 CD2 TYR A 760 11.604 -6.074 -2.480 1.00 0.00 C ATOM 725 CE1 TYR A 760 10.178 -3.879 -1.713 1.00 0.00 C ATOM 726 CE2 TYR A 760 10.295 -5.933 -2.876 1.00 0.00 C ATOM 727 CZ TYR A 760 9.589 -4.832 -2.496 1.00 0.00 C ATOM 728 OH TYR A 760 8.282 -4.682 -2.899 1.00 0.00 O ATOM 0 H TYR A 760 15.948 -4.888 -0.802 1.00 0.00 H new ATOM 0 HA TYR A 760 13.760 -3.613 0.117 1.00 0.00 H new ATOM 0 HB2 TYR A 760 14.272 -4.859 -2.077 1.00 0.00 H new ATOM 0 HB3 TYR A 760 13.874 -6.351 -1.250 1.00 0.00 H new ATOM 0 HD1 TYR A 760 11.939 -3.271 -0.691 1.00 0.00 H new ATOM 0 HD2 TYR A 760 12.162 -6.944 -2.793 1.00 0.00 H new ATOM 0 HE1 TYR A 760 9.616 -3.008 -1.409 1.00 0.00 H new ATOM 0 HE2 TYR A 760 9.828 -6.692 -3.486 1.00 0.00 H new ATOM 0 HH TYR A 760 8.020 -5.448 -3.450 1.00 0.00 H new ATOM 738 N TYR A 761 13.496 -6.688 1.205 1.00 0.00 N ATOM 739 CA TYR A 761 12.814 -7.517 2.191 1.00 0.00 C ATOM 740 C TYR A 761 13.235 -7.304 3.655 1.00 0.00 C ATOM 741 O TYR A 761 12.511 -7.733 4.555 1.00 0.00 O ATOM 742 CB TYR A 761 12.880 -8.978 1.759 1.00 0.00 C ATOM 743 CG TYR A 761 11.770 -9.296 0.789 1.00 0.00 C ATOM 744 CD1 TYR A 761 11.558 -8.478 -0.308 1.00 0.00 C ATOM 745 CD2 TYR A 761 10.895 -10.354 1.002 1.00 0.00 C ATOM 746 CE1 TYR A 761 10.507 -8.702 -1.177 1.00 0.00 C ATOM 747 CE2 TYR A 761 9.848 -10.596 0.132 1.00 0.00 C ATOM 748 CZ TYR A 761 9.657 -9.766 -0.955 1.00 0.00 C ATOM 749 OH TYR A 761 8.608 -9.996 -1.817 1.00 0.00 O ATOM 0 H TYR A 761 14.084 -7.209 0.554 1.00 0.00 H new ATOM 0 HA TYR A 761 11.776 -7.185 2.202 1.00 0.00 H new ATOM 0 HB2 TYR A 761 13.845 -9.182 1.295 1.00 0.00 H new ATOM 0 HB3 TYR A 761 12.803 -9.625 2.633 1.00 0.00 H new ATOM 0 HD1 TYR A 761 12.227 -7.649 -0.488 1.00 0.00 H new ATOM 0 HD2 TYR A 761 11.035 -10.996 1.859 1.00 0.00 H new ATOM 0 HE1 TYR A 761 10.352 -8.049 -2.023 1.00 0.00 H new ATOM 0 HE2 TYR A 761 9.183 -11.430 0.302 1.00 0.00 H new ATOM 0 HH TYR A 761 8.107 -10.784 -1.520 1.00 0.00 H new ATOM 759 N GLU A 762 14.375 -6.665 3.923 1.00 0.00 N ATOM 760 CA GLU A 762 14.773 -6.430 5.313 1.00 0.00 C ATOM 761 C GLU A 762 14.042 -5.219 5.870 1.00 0.00 C ATOM 762 O GLU A 762 13.416 -5.280 6.928 1.00 0.00 O ATOM 763 CB GLU A 762 16.270 -6.207 5.444 1.00 0.00 C ATOM 764 CG GLU A 762 16.877 -5.539 4.251 1.00 0.00 C ATOM 765 CD GLU A 762 18.388 -5.656 4.209 1.00 0.00 C ATOM 766 OE1 GLU A 762 18.889 -6.758 3.901 1.00 0.00 O ATOM 767 OE2 GLU A 762 19.069 -4.646 4.481 1.00 0.00 O ATOM 0 H GLU A 762 15.023 -6.310 3.220 1.00 0.00 H new ATOM 0 HA GLU A 762 14.507 -7.323 5.879 1.00 0.00 H new ATOM 0 HB2 GLU A 762 16.464 -5.600 6.329 1.00 0.00 H new ATOM 0 HB3 GLU A 762 16.761 -7.167 5.602 1.00 0.00 H new ATOM 0 HG2 GLU A 762 16.459 -5.977 3.345 1.00 0.00 H new ATOM 0 HG3 GLU A 762 16.600 -4.485 4.252 1.00 0.00 H new ATOM 774 N VAL A 763 14.135 -4.119 5.135 1.00 0.00 N ATOM 775 CA VAL A 763 13.486 -2.876 5.505 1.00 0.00 C ATOM 776 C VAL A 763 12.010 -3.068 5.395 1.00 0.00 C ATOM 777 O VAL A 763 11.230 -2.689 6.269 1.00 0.00 O ATOM 778 CB VAL A 763 13.903 -1.710 4.559 1.00 0.00 C ATOM 779 CG1 VAL A 763 14.633 -2.203 3.357 1.00 0.00 C ATOM 780 CG2 VAL A 763 12.724 -0.950 4.039 1.00 0.00 C ATOM 0 H VAL A 763 14.664 -4.067 4.265 1.00 0.00 H new ATOM 0 HA VAL A 763 13.783 -2.618 6.521 1.00 0.00 H new ATOM 0 HB VAL A 763 14.537 -1.070 5.172 1.00 0.00 H new ATOM 0 HG11 VAL A 763 14.905 -1.358 2.725 1.00 0.00 H new ATOM 0 HG12 VAL A 763 15.536 -2.728 3.669 1.00 0.00 H new ATOM 0 HG13 VAL A 763 13.993 -2.884 2.797 1.00 0.00 H new ATOM 0 HG21 VAL A 763 13.067 -0.148 3.385 1.00 0.00 H new ATOM 0 HG22 VAL A 763 12.076 -1.623 3.478 1.00 0.00 H new ATOM 0 HG23 VAL A 763 12.169 -0.524 4.874 1.00 0.00 H new ATOM 790 N ILE A 764 11.647 -3.672 4.293 1.00 0.00 N ATOM 791 CA ILE A 764 10.280 -3.899 3.983 1.00 0.00 C ATOM 792 C ILE A 764 9.755 -5.202 4.546 1.00 0.00 C ATOM 793 O ILE A 764 9.803 -6.239 3.887 1.00 0.00 O ATOM 794 CB ILE A 764 10.062 -3.905 2.498 1.00 0.00 C ATOM 795 CG1 ILE A 764 10.830 -2.758 1.850 1.00 0.00 C ATOM 796 CG2 ILE A 764 8.595 -3.768 2.250 1.00 0.00 C ATOM 797 CD1 ILE A 764 10.099 -1.441 1.863 1.00 0.00 C ATOM 0 H ILE A 764 12.301 -4.017 3.591 1.00 0.00 H new ATOM 0 HA ILE A 764 9.733 -3.079 4.447 1.00 0.00 H new ATOM 0 HB ILE A 764 10.427 -4.835 2.061 1.00 0.00 H new ATOM 0 HG12 ILE A 764 11.783 -2.637 2.365 1.00 0.00 H new ATOM 0 HG13 ILE A 764 11.057 -3.025 0.818 1.00 0.00 H new ATOM 0 HG21 ILE A 764 8.406 -3.769 1.177 1.00 0.00 H new ATOM 0 HG22 ILE A 764 8.068 -4.603 2.712 1.00 0.00 H new ATOM 0 HG23 ILE A 764 8.239 -2.832 2.680 1.00 0.00 H new ATOM 0 HD11 ILE A 764 10.714 -0.679 1.384 1.00 0.00 H new ATOM 0 HD12 ILE A 764 9.158 -1.542 1.322 1.00 0.00 H new ATOM 0 HD13 ILE A 764 9.896 -1.148 2.893 1.00 0.00 H new ATOM 809 N ARG A 765 9.278 -5.150 5.772 1.00 0.00 N ATOM 810 CA ARG A 765 8.704 -6.324 6.404 1.00 0.00 C ATOM 811 C ARG A 765 7.609 -6.919 5.521 1.00 0.00 C ATOM 812 O ARG A 765 7.490 -8.139 5.403 1.00 0.00 O ATOM 813 CB ARG A 765 8.126 -5.958 7.760 1.00 0.00 C ATOM 814 CG ARG A 765 8.386 -6.985 8.844 1.00 0.00 C ATOM 815 CD ARG A 765 7.991 -8.378 8.407 1.00 0.00 C ATOM 816 NE ARG A 765 7.645 -9.235 9.538 1.00 0.00 N ATOM 817 CZ ARG A 765 7.241 -10.495 9.414 1.00 0.00 C ATOM 818 NH1 ARG A 765 7.133 -11.046 8.212 1.00 0.00 N ATOM 819 NH2 ARG A 765 6.947 -11.208 10.492 1.00 0.00 N ATOM 0 H ARG A 765 9.275 -4.311 6.351 1.00 0.00 H new ATOM 0 HA ARG A 765 9.492 -7.065 6.539 1.00 0.00 H new ATOM 0 HB2 ARG A 765 8.543 -5.001 8.074 1.00 0.00 H new ATOM 0 HB3 ARG A 765 7.050 -5.818 7.658 1.00 0.00 H new ATOM 0 HG2 ARG A 765 9.443 -6.974 9.109 1.00 0.00 H new ATOM 0 HG3 ARG A 765 7.830 -6.715 9.741 1.00 0.00 H new ATOM 0 HD2 ARG A 765 7.141 -8.316 7.727 1.00 0.00 H new ATOM 0 HD3 ARG A 765 8.813 -8.829 7.850 1.00 0.00 H new ATOM 0 HE ARG A 765 7.718 -8.844 10.477 1.00 0.00 H new ATOM 0 HH11 ARG A 765 7.360 -10.502 7.379 1.00 0.00 H new ATOM 0 HH12 ARG A 765 6.823 -12.013 8.120 1.00 0.00 H new ATOM 0 HH21 ARG A 765 7.031 -10.790 11.419 1.00 0.00 H new ATOM 0 HH22 ARG A 765 6.637 -12.175 10.395 1.00 0.00 H new ATOM 833 N PHE A 766 6.812 -6.047 4.897 1.00 0.00 N ATOM 834 CA PHE A 766 5.717 -6.498 4.032 1.00 0.00 C ATOM 835 C PHE A 766 5.715 -5.785 2.670 1.00 0.00 C ATOM 836 O PHE A 766 4.925 -4.872 2.448 1.00 0.00 O ATOM 837 CB PHE A 766 4.362 -6.256 4.705 1.00 0.00 C ATOM 838 CG PHE A 766 4.404 -6.027 6.187 1.00 0.00 C ATOM 839 CD1 PHE A 766 4.893 -6.994 7.034 1.00 0.00 C ATOM 840 CD2 PHE A 766 3.922 -4.851 6.729 1.00 0.00 C ATOM 841 CE1 PHE A 766 4.908 -6.793 8.402 1.00 0.00 C ATOM 842 CE2 PHE A 766 3.937 -4.637 8.087 1.00 0.00 C ATOM 843 CZ PHE A 766 4.429 -5.608 8.926 1.00 0.00 C ATOM 0 H PHE A 766 6.902 -5.034 4.973 1.00 0.00 H new ATOM 0 HA PHE A 766 5.876 -7.564 3.868 1.00 0.00 H new ATOM 0 HB2 PHE A 766 3.893 -5.391 4.235 1.00 0.00 H new ATOM 0 HB3 PHE A 766 3.720 -7.114 4.506 1.00 0.00 H new ATOM 0 HD1 PHE A 766 5.269 -7.920 6.626 1.00 0.00 H new ATOM 0 HD2 PHE A 766 3.527 -4.087 6.075 1.00 0.00 H new ATOM 0 HE1 PHE A 766 5.293 -7.560 9.058 1.00 0.00 H new ATOM 0 HE2 PHE A 766 3.563 -3.709 8.493 1.00 0.00 H new ATOM 0 HZ PHE A 766 4.441 -5.445 9.994 1.00 0.00 H new ATOM 853 N PRO A 767 6.604 -6.180 1.743 1.00 0.00 N ATOM 854 CA PRO A 767 6.671 -5.579 0.407 1.00 0.00 C ATOM 855 C PRO A 767 5.436 -5.848 -0.455 1.00 0.00 C ATOM 856 O PRO A 767 5.201 -6.969 -0.907 1.00 0.00 O ATOM 857 CB PRO A 767 7.945 -6.177 -0.202 1.00 0.00 C ATOM 858 CG PRO A 767 8.682 -6.773 0.925 1.00 0.00 C ATOM 859 CD PRO A 767 7.666 -7.162 1.951 1.00 0.00 C ATOM 0 HA PRO A 767 6.696 -4.491 0.462 1.00 0.00 H new ATOM 0 HB2 PRO A 767 7.704 -6.929 -0.954 1.00 0.00 H new ATOM 0 HB3 PRO A 767 8.540 -5.410 -0.697 1.00 0.00 H new ATOM 0 HG2 PRO A 767 9.252 -7.642 0.597 1.00 0.00 H new ATOM 0 HG3 PRO A 767 9.396 -6.061 1.339 1.00 0.00 H new ATOM 0 HD2 PRO A 767 7.310 -8.181 1.801 1.00 0.00 H new ATOM 0 HD3 PRO A 767 8.072 -7.111 2.961 1.00 0.00 H new ATOM 867 N MET A 768 4.651 -4.785 -0.671 1.00 0.00 N ATOM 868 CA MET A 768 3.427 -4.845 -1.473 1.00 0.00 C ATOM 869 C MET A 768 3.596 -4.054 -2.752 1.00 0.00 C ATOM 870 O MET A 768 4.413 -3.137 -2.832 1.00 0.00 O ATOM 871 CB MET A 768 2.254 -4.264 -0.681 1.00 0.00 C ATOM 872 CG MET A 768 0.876 -4.308 -1.361 1.00 0.00 C ATOM 873 SD MET A 768 0.539 -5.762 -2.360 1.00 0.00 S ATOM 874 CE MET A 768 0.568 -6.978 -1.082 1.00 0.00 C ATOM 0 H MET A 768 4.849 -3.859 -0.293 1.00 0.00 H new ATOM 0 HA MET A 768 3.227 -5.888 -1.716 1.00 0.00 H new ATOM 0 HB2 MET A 768 2.184 -4.799 0.266 1.00 0.00 H new ATOM 0 HB3 MET A 768 2.484 -3.225 -0.444 1.00 0.00 H new ATOM 0 HG2 MET A 768 0.109 -4.236 -0.590 1.00 0.00 H new ATOM 0 HG3 MET A 768 0.776 -3.426 -1.993 1.00 0.00 H new ATOM 0 HE1 MET A 768 -0.166 -7.753 -1.301 1.00 0.00 H new ATOM 0 HE2 MET A 768 1.561 -7.424 -1.026 1.00 0.00 H new ATOM 0 HE3 MET A 768 0.327 -6.509 -0.128 1.00 0.00 H new ATOM 884 N ASP A 769 2.815 -4.416 -3.745 1.00 0.00 N ATOM 885 CA ASP A 769 2.838 -3.746 -5.018 1.00 0.00 C ATOM 886 C ASP A 769 1.443 -3.716 -5.605 1.00 0.00 C ATOM 887 O ASP A 769 0.527 -4.320 -5.064 1.00 0.00 O ATOM 888 CB ASP A 769 3.791 -4.451 -5.973 1.00 0.00 C ATOM 889 CG ASP A 769 5.243 -4.117 -5.692 1.00 0.00 C ATOM 890 OD1 ASP A 769 5.841 -4.767 -4.809 1.00 0.00 O ATOM 891 OD2 ASP A 769 5.781 -3.205 -6.354 1.00 0.00 O ATOM 0 H ASP A 769 2.147 -5.184 -3.689 1.00 0.00 H new ATOM 0 HA ASP A 769 3.188 -2.724 -4.872 1.00 0.00 H new ATOM 0 HB2 ASP A 769 3.647 -5.529 -5.896 1.00 0.00 H new ATOM 0 HB3 ASP A 769 3.548 -4.170 -6.998 1.00 0.00 H new ATOM 896 N LEU A 770 1.281 -2.980 -6.686 1.00 0.00 N ATOM 897 CA LEU A 770 -0.002 -2.885 -7.359 1.00 0.00 C ATOM 898 C LEU A 770 -0.346 -4.169 -8.084 1.00 0.00 C ATOM 899 O LEU A 770 -1.517 -4.473 -8.272 1.00 0.00 O ATOM 900 CB LEU A 770 0.006 -1.723 -8.319 1.00 0.00 C ATOM 901 CG LEU A 770 0.693 -0.504 -7.767 1.00 0.00 C ATOM 902 CD1 LEU A 770 1.364 0.224 -8.887 1.00 0.00 C ATOM 903 CD2 LEU A 770 -0.303 0.395 -7.081 1.00 0.00 C ATOM 0 H LEU A 770 2.026 -2.435 -7.121 1.00 0.00 H new ATOM 0 HA LEU A 770 -0.769 -2.720 -6.603 1.00 0.00 H new ATOM 0 HB2 LEU A 770 0.502 -2.025 -9.241 1.00 0.00 H new ATOM 0 HB3 LEU A 770 -1.021 -1.467 -8.578 1.00 0.00 H new ATOM 0 HG LEU A 770 1.437 -0.808 -7.031 1.00 0.00 H new ATOM 0 HD11 LEU A 770 1.865 1.110 -8.497 1.00 0.00 H new ATOM 0 HD12 LEU A 770 2.098 -0.430 -9.358 1.00 0.00 H new ATOM 0 HD13 LEU A 770 0.619 0.524 -9.624 1.00 0.00 H new ATOM 0 HD21 LEU A 770 0.210 1.272 -6.687 1.00 0.00 H new ATOM 0 HD22 LEU A 770 -1.063 0.710 -7.797 1.00 0.00 H new ATOM 0 HD23 LEU A 770 -0.778 -0.146 -6.262 1.00 0.00 H new ATOM 915 N LYS A 771 0.663 -4.899 -8.548 1.00 0.00 N ATOM 916 CA LYS A 771 0.394 -6.173 -9.189 1.00 0.00 C ATOM 917 C LYS A 771 0.080 -7.186 -8.118 1.00 0.00 C ATOM 918 O LYS A 771 -0.770 -8.045 -8.302 1.00 0.00 O ATOM 919 CB LYS A 771 1.548 -6.672 -10.033 1.00 0.00 C ATOM 920 CG LYS A 771 1.070 -7.510 -11.200 1.00 0.00 C ATOM 921 CD LYS A 771 1.089 -6.701 -12.480 1.00 0.00 C ATOM 922 CE LYS A 771 0.293 -7.382 -13.576 1.00 0.00 C ATOM 923 NZ LYS A 771 0.211 -6.547 -14.806 1.00 0.00 N ATOM 0 H LYS A 771 1.647 -4.637 -8.493 1.00 0.00 H new ATOM 0 HA LYS A 771 -0.448 -6.032 -9.867 1.00 0.00 H new ATOM 0 HB2 LYS A 771 2.120 -5.822 -10.406 1.00 0.00 H new ATOM 0 HB3 LYS A 771 2.223 -7.263 -9.413 1.00 0.00 H new ATOM 0 HG2 LYS A 771 1.706 -8.388 -11.309 1.00 0.00 H new ATOM 0 HG3 LYS A 771 0.060 -7.871 -11.006 1.00 0.00 H new ATOM 0 HD2 LYS A 771 0.677 -5.709 -12.292 1.00 0.00 H new ATOM 0 HD3 LYS A 771 2.119 -6.562 -12.809 1.00 0.00 H new ATOM 0 HE2 LYS A 771 0.754 -8.339 -13.818 1.00 0.00 H new ATOM 0 HE3 LYS A 771 -0.713 -7.595 -13.215 1.00 0.00 H new ATOM 0 HZ1 LYS A 771 -0.341 -7.049 -15.530 1.00 0.00 H new ATOM 0 HZ2 LYS A 771 -0.252 -5.643 -14.582 1.00 0.00 H new ATOM 0 HZ3 LYS A 771 1.169 -6.365 -15.166 1.00 0.00 H new ATOM 937 N THR A 772 0.816 -7.106 -7.013 1.00 0.00 N ATOM 938 CA THR A 772 0.555 -7.978 -5.881 1.00 0.00 C ATOM 939 C THR A 772 -0.831 -7.633 -5.355 1.00 0.00 C ATOM 940 O THR A 772 -1.623 -8.508 -5.007 1.00 0.00 O ATOM 941 CB THR A 772 1.589 -7.825 -4.758 1.00 0.00 C ATOM 942 OG1 THR A 772 2.905 -8.086 -5.259 1.00 0.00 O ATOM 943 CG2 THR A 772 1.273 -8.785 -3.625 1.00 0.00 C ATOM 0 H THR A 772 1.588 -6.453 -6.881 1.00 0.00 H new ATOM 0 HA THR A 772 0.619 -9.014 -6.214 1.00 0.00 H new ATOM 0 HB THR A 772 1.548 -6.802 -4.383 1.00 0.00 H new ATOM 0 HG1 THR A 772 3.557 -7.984 -4.535 1.00 0.00 H new ATOM 0 HG21 THR A 772 2.013 -8.669 -2.833 1.00 0.00 H new ATOM 0 HG22 THR A 772 0.281 -8.567 -3.230 1.00 0.00 H new ATOM 0 HG23 THR A 772 1.299 -9.809 -3.998 1.00 0.00 H new ATOM 951 N MET A 773 -1.095 -6.327 -5.284 1.00 0.00 N ATOM 952 CA MET A 773 -2.403 -5.818 -4.901 1.00 0.00 C ATOM 953 C MET A 773 -3.416 -6.448 -5.847 1.00 0.00 C ATOM 954 O MET A 773 -4.310 -7.171 -5.434 1.00 0.00 O ATOM 955 CB MET A 773 -2.438 -4.291 -5.039 1.00 0.00 C ATOM 956 CG MET A 773 -2.105 -3.548 -3.761 1.00 0.00 C ATOM 957 SD MET A 773 -3.271 -3.898 -2.454 1.00 0.00 S ATOM 958 CE MET A 773 -4.736 -3.140 -3.131 1.00 0.00 C ATOM 0 H MET A 773 -0.409 -5.600 -5.490 1.00 0.00 H new ATOM 0 HA MET A 773 -2.628 -6.065 -3.863 1.00 0.00 H new ATOM 0 HB2 MET A 773 -1.734 -3.991 -5.815 1.00 0.00 H new ATOM 0 HB3 MET A 773 -3.430 -3.990 -5.374 1.00 0.00 H new ATOM 0 HG2 MET A 773 -1.102 -3.822 -3.434 1.00 0.00 H new ATOM 0 HG3 MET A 773 -2.094 -2.476 -3.958 1.00 0.00 H new ATOM 0 HE1 MET A 773 -5.025 -2.291 -2.512 1.00 0.00 H new ATOM 0 HE2 MET A 773 -4.533 -2.797 -4.146 1.00 0.00 H new ATOM 0 HE3 MET A 773 -5.547 -3.868 -3.150 1.00 0.00 H new ATOM 968 N SER A 774 -3.224 -6.193 -7.137 1.00 0.00 N ATOM 969 CA SER A 774 -4.093 -6.735 -8.177 1.00 0.00 C ATOM 970 C SER A 774 -4.080 -8.252 -8.171 1.00 0.00 C ATOM 971 O SER A 774 -5.007 -8.884 -8.650 1.00 0.00 O ATOM 972 CB SER A 774 -3.670 -6.223 -9.538 1.00 0.00 C ATOM 973 OG SER A 774 -2.504 -6.883 -10.000 1.00 0.00 O ATOM 0 H SER A 774 -2.466 -5.608 -7.490 1.00 0.00 H new ATOM 0 HA SER A 774 -5.109 -6.401 -7.967 1.00 0.00 H new ATOM 0 HB2 SER A 774 -4.480 -6.371 -10.252 1.00 0.00 H new ATOM 0 HB3 SER A 774 -3.485 -5.150 -9.483 1.00 0.00 H new ATOM 0 HG SER A 774 -2.012 -7.251 -9.236 1.00 0.00 H new ATOM 979 N GLU A 775 -3.012 -8.832 -7.653 1.00 0.00 N ATOM 980 CA GLU A 775 -2.898 -10.278 -7.556 1.00 0.00 C ATOM 981 C GLU A 775 -3.975 -10.762 -6.617 1.00 0.00 C ATOM 982 O GLU A 775 -4.738 -11.690 -6.909 1.00 0.00 O ATOM 983 CB GLU A 775 -1.519 -10.638 -7.023 1.00 0.00 C ATOM 984 CG GLU A 775 -0.705 -11.494 -7.962 1.00 0.00 C ATOM 985 CD GLU A 775 0.379 -12.280 -7.251 1.00 0.00 C ATOM 986 OE1 GLU A 775 1.498 -11.745 -7.102 1.00 0.00 O ATOM 987 OE2 GLU A 775 0.109 -13.429 -6.845 1.00 0.00 O ATOM 0 H GLU A 775 -2.207 -8.321 -7.291 1.00 0.00 H new ATOM 0 HA GLU A 775 -3.021 -10.749 -8.531 1.00 0.00 H new ATOM 0 HB2 GLU A 775 -0.969 -9.720 -6.815 1.00 0.00 H new ATOM 0 HB3 GLU A 775 -1.632 -11.163 -6.075 1.00 0.00 H new ATOM 0 HG2 GLU A 775 -1.368 -12.186 -8.482 1.00 0.00 H new ATOM 0 HG3 GLU A 775 -0.248 -10.859 -8.721 1.00 0.00 H new ATOM 994 N ARG A 776 -4.030 -10.084 -5.492 1.00 0.00 N ATOM 995 CA ARG A 776 -5.010 -10.349 -4.478 1.00 0.00 C ATOM 996 C ARG A 776 -6.383 -10.058 -5.049 1.00 0.00 C ATOM 997 O ARG A 776 -7.294 -10.874 -4.996 1.00 0.00 O ATOM 998 CB ARG A 776 -4.704 -9.459 -3.289 1.00 0.00 C ATOM 999 CG ARG A 776 -3.532 -9.964 -2.466 1.00 0.00 C ATOM 1000 CD ARG A 776 -2.696 -8.829 -1.898 1.00 0.00 C ATOM 1001 NE ARG A 776 -2.092 -9.190 -0.619 1.00 0.00 N ATOM 1002 CZ ARG A 776 -1.004 -9.948 -0.501 1.00 0.00 C ATOM 1003 NH1 ARG A 776 -0.402 -10.425 -1.581 1.00 0.00 N ATOM 1004 NH2 ARG A 776 -0.519 -10.229 0.701 1.00 0.00 N ATOM 0 H ARG A 776 -3.387 -9.327 -5.259 1.00 0.00 H new ATOM 0 HA ARG A 776 -4.987 -11.390 -4.155 1.00 0.00 H new ATOM 0 HB2 ARG A 776 -4.488 -8.450 -3.641 1.00 0.00 H new ATOM 0 HB3 ARG A 776 -5.587 -9.392 -2.654 1.00 0.00 H new ATOM 0 HG2 ARG A 776 -3.904 -10.583 -1.649 1.00 0.00 H new ATOM 0 HG3 ARG A 776 -2.902 -10.601 -3.087 1.00 0.00 H new ATOM 0 HD2 ARG A 776 -1.913 -8.563 -2.608 1.00 0.00 H new ATOM 0 HD3 ARG A 776 -3.322 -7.946 -1.768 1.00 0.00 H new ATOM 0 HE ARG A 776 -2.529 -8.841 0.234 1.00 0.00 H new ATOM 0 HH11 ARG A 776 -0.772 -10.212 -2.507 1.00 0.00 H new ATOM 0 HH12 ARG A 776 0.431 -11.005 -1.486 1.00 0.00 H new ATOM 0 HH21 ARG A 776 -0.980 -9.864 1.535 1.00 0.00 H new ATOM 0 HH22 ARG A 776 0.315 -10.810 0.792 1.00 0.00 H new ATOM 1018 N LEU A 777 -6.476 -8.887 -5.634 1.00 0.00 N ATOM 1019 CA LEU A 777 -7.684 -8.396 -6.271 1.00 0.00 C ATOM 1020 C LEU A 777 -8.244 -9.416 -7.220 1.00 0.00 C ATOM 1021 O LEU A 777 -9.410 -9.792 -7.137 1.00 0.00 O ATOM 1022 CB LEU A 777 -7.320 -7.127 -7.034 1.00 0.00 C ATOM 1023 CG LEU A 777 -8.456 -6.244 -7.530 1.00 0.00 C ATOM 1024 CD1 LEU A 777 -9.718 -7.003 -7.815 1.00 0.00 C ATOM 1025 CD2 LEU A 777 -8.721 -5.168 -6.510 1.00 0.00 C ATOM 0 H LEU A 777 -5.697 -8.230 -5.684 1.00 0.00 H new ATOM 0 HA LEU A 777 -8.444 -8.194 -5.516 1.00 0.00 H new ATOM 0 HB2 LEU A 777 -6.682 -6.521 -6.390 1.00 0.00 H new ATOM 0 HB3 LEU A 777 -6.720 -7.416 -7.897 1.00 0.00 H new ATOM 0 HG LEU A 777 -8.140 -5.810 -8.479 1.00 0.00 H new ATOM 0 HD11 LEU A 777 -10.486 -6.313 -8.165 1.00 0.00 H new ATOM 0 HD12 LEU A 777 -9.526 -7.752 -8.583 1.00 0.00 H new ATOM 0 HD13 LEU A 777 -10.060 -7.496 -6.905 1.00 0.00 H new ATOM 0 HD21 LEU A 777 -9.534 -4.530 -6.857 1.00 0.00 H new ATOM 0 HD22 LEU A 777 -8.999 -5.627 -5.561 1.00 0.00 H new ATOM 0 HD23 LEU A 777 -7.822 -4.567 -6.373 1.00 0.00 H new ATOM 1037 N LYS A 778 -7.401 -9.855 -8.119 1.00 0.00 N ATOM 1038 CA LYS A 778 -7.808 -10.802 -9.109 1.00 0.00 C ATOM 1039 C LYS A 778 -8.488 -11.992 -8.459 1.00 0.00 C ATOM 1040 O LYS A 778 -9.579 -12.395 -8.859 1.00 0.00 O ATOM 1041 CB LYS A 778 -6.626 -11.286 -9.915 1.00 0.00 C ATOM 1042 CG LYS A 778 -6.599 -10.715 -11.303 1.00 0.00 C ATOM 1043 CD LYS A 778 -5.861 -9.389 -11.354 1.00 0.00 C ATOM 1044 CE LYS A 778 -4.347 -9.581 -11.410 1.00 0.00 C ATOM 1045 NZ LYS A 778 -3.898 -10.065 -12.745 1.00 0.00 N ATOM 0 H LYS A 778 -6.425 -9.566 -8.181 1.00 0.00 H new ATOM 0 HA LYS A 778 -8.510 -10.300 -9.775 1.00 0.00 H new ATOM 0 HB2 LYS A 778 -5.705 -11.018 -9.398 1.00 0.00 H new ATOM 0 HB3 LYS A 778 -6.653 -12.374 -9.975 1.00 0.00 H new ATOM 0 HG2 LYS A 778 -6.120 -11.424 -11.978 1.00 0.00 H new ATOM 0 HG3 LYS A 778 -7.620 -10.576 -11.659 1.00 0.00 H new ATOM 0 HD2 LYS A 778 -6.188 -8.825 -12.228 1.00 0.00 H new ATOM 0 HD3 LYS A 778 -6.119 -8.796 -10.477 1.00 0.00 H new ATOM 0 HE2 LYS A 778 -3.853 -8.637 -11.181 1.00 0.00 H new ATOM 0 HE3 LYS A 778 -4.043 -10.294 -10.644 1.00 0.00 H new ATOM 0 HZ1 LYS A 778 -2.863 -9.990 -12.811 1.00 0.00 H new ATOM 0 HZ2 LYS A 778 -4.182 -11.058 -12.868 1.00 0.00 H new ATOM 0 HZ3 LYS A 778 -4.336 -9.486 -13.490 1.00 0.00 H new ATOM 1059 N ASN A 779 -7.824 -12.556 -7.450 1.00 0.00 N ATOM 1060 CA ASN A 779 -8.368 -13.711 -6.747 1.00 0.00 C ATOM 1061 C ASN A 779 -9.504 -13.305 -5.804 1.00 0.00 C ATOM 1062 O ASN A 779 -10.078 -14.146 -5.113 1.00 0.00 O ATOM 1063 CB ASN A 779 -7.269 -14.445 -5.974 1.00 0.00 C ATOM 1064 CG ASN A 779 -7.099 -13.946 -4.554 1.00 0.00 C ATOM 1065 OD1 ASN A 779 -7.873 -14.293 -3.660 1.00 0.00 O ATOM 1066 ND2 ASN A 779 -6.068 -13.145 -4.333 1.00 0.00 N ATOM 0 H ASN A 779 -6.919 -12.234 -7.106 1.00 0.00 H new ATOM 0 HA ASN A 779 -8.777 -14.389 -7.496 1.00 0.00 H new ATOM 0 HB2 ASN A 779 -7.499 -15.510 -5.952 1.00 0.00 H new ATOM 0 HB3 ASN A 779 -6.324 -14.334 -6.506 1.00 0.00 H new ATOM 0 HD21 ASN A 779 -5.890 -12.790 -3.393 1.00 0.00 H new ATOM 0 HD22 ASN A 779 -5.452 -12.883 -5.102 1.00 0.00 H new ATOM 1073 N ARG A 780 -9.797 -12.004 -5.780 1.00 0.00 N ATOM 1074 CA ARG A 780 -10.868 -11.433 -4.952 1.00 0.00 C ATOM 1075 C ARG A 780 -10.464 -11.399 -3.489 1.00 0.00 C ATOM 1076 O ARG A 780 -11.312 -11.349 -2.597 1.00 0.00 O ATOM 1077 CB ARG A 780 -12.170 -12.221 -5.082 1.00 0.00 C ATOM 1078 CG ARG A 780 -12.921 -11.986 -6.368 1.00 0.00 C ATOM 1079 CD ARG A 780 -12.264 -12.704 -7.529 1.00 0.00 C ATOM 1080 NE ARG A 780 -13.041 -13.857 -7.976 1.00 0.00 N ATOM 1081 CZ ARG A 780 -12.539 -14.844 -8.715 1.00 0.00 C ATOM 1082 NH1 ARG A 780 -11.264 -14.825 -9.079 1.00 0.00 N ATOM 1083 NH2 ARG A 780 -13.315 -15.853 -9.088 1.00 0.00 N ATOM 0 H ARG A 780 -9.297 -11.310 -6.336 1.00 0.00 H new ATOM 0 HA ARG A 780 -11.032 -10.418 -5.314 1.00 0.00 H new ATOM 0 HB2 ARG A 780 -11.946 -13.284 -4.997 1.00 0.00 H new ATOM 0 HB3 ARG A 780 -12.820 -11.964 -4.245 1.00 0.00 H new ATOM 0 HG2 ARG A 780 -13.949 -12.331 -6.259 1.00 0.00 H new ATOM 0 HG3 ARG A 780 -12.964 -10.917 -6.576 1.00 0.00 H new ATOM 0 HD2 ARG A 780 -12.138 -12.009 -8.359 1.00 0.00 H new ATOM 0 HD3 ARG A 780 -11.267 -13.032 -7.234 1.00 0.00 H new ATOM 0 HE ARG A 780 -14.023 -13.909 -7.707 1.00 0.00 H new ATOM 0 HH11 ARG A 780 -10.663 -14.052 -8.793 1.00 0.00 H new ATOM 0 HH12 ARG A 780 -10.884 -15.584 -9.645 1.00 0.00 H new ATOM 0 HH21 ARG A 780 -14.296 -15.872 -8.809 1.00 0.00 H new ATOM 0 HH22 ARG A 780 -12.931 -16.609 -9.654 1.00 0.00 H new ATOM 1097 N TYR A 781 -9.165 -11.430 -3.254 1.00 0.00 N ATOM 1098 CA TYR A 781 -8.622 -11.415 -1.911 1.00 0.00 C ATOM 1099 C TYR A 781 -9.219 -10.291 -1.082 1.00 0.00 C ATOM 1100 O TYR A 781 -9.509 -10.479 0.097 1.00 0.00 O ATOM 1101 CB TYR A 781 -7.108 -11.259 -1.993 1.00 0.00 C ATOM 1102 CG TYR A 781 -6.412 -10.884 -0.711 1.00 0.00 C ATOM 1103 CD1 TYR A 781 -6.340 -9.562 -0.316 1.00 0.00 C ATOM 1104 CD2 TYR A 781 -5.795 -11.843 0.081 1.00 0.00 C ATOM 1105 CE1 TYR A 781 -5.675 -9.194 0.824 1.00 0.00 C ATOM 1106 CE2 TYR A 781 -5.128 -11.487 1.237 1.00 0.00 C ATOM 1107 CZ TYR A 781 -5.068 -10.159 1.603 1.00 0.00 C ATOM 1108 OH TYR A 781 -4.397 -9.794 2.748 1.00 0.00 O ATOM 0 H TYR A 781 -8.459 -11.466 -3.989 1.00 0.00 H new ATOM 0 HA TYR A 781 -8.876 -12.354 -1.420 1.00 0.00 H new ATOM 0 HB2 TYR A 781 -6.685 -12.197 -2.352 1.00 0.00 H new ATOM 0 HB3 TYR A 781 -6.881 -10.500 -2.742 1.00 0.00 H new ATOM 0 HD1 TYR A 781 -6.818 -8.803 -0.918 1.00 0.00 H new ATOM 0 HD2 TYR A 781 -5.837 -12.882 -0.211 1.00 0.00 H new ATOM 0 HE1 TYR A 781 -5.626 -8.154 1.112 1.00 0.00 H new ATOM 0 HE2 TYR A 781 -4.658 -12.242 1.849 1.00 0.00 H new ATOM 0 HH TYR A 781 -4.890 -10.114 3.532 1.00 0.00 H new ATOM 1118 N TYR A 782 -9.402 -9.124 -1.701 1.00 0.00 N ATOM 1119 CA TYR A 782 -9.938 -7.970 -0.996 1.00 0.00 C ATOM 1120 C TYR A 782 -11.375 -8.172 -0.590 1.00 0.00 C ATOM 1121 O TYR A 782 -12.300 -7.640 -1.205 1.00 0.00 O ATOM 1122 CB TYR A 782 -9.762 -6.708 -1.830 1.00 0.00 C ATOM 1123 CG TYR A 782 -8.353 -6.559 -2.225 1.00 0.00 C ATOM 1124 CD1 TYR A 782 -7.442 -6.144 -1.307 1.00 0.00 C ATOM 1125 CD2 TYR A 782 -7.918 -6.893 -3.478 1.00 0.00 C ATOM 1126 CE1 TYR A 782 -6.128 -6.060 -1.612 1.00 0.00 C ATOM 1127 CE2 TYR A 782 -6.590 -6.791 -3.796 1.00 0.00 C ATOM 1128 CZ TYR A 782 -5.704 -6.378 -2.851 1.00 0.00 C ATOM 1129 OH TYR A 782 -4.383 -6.300 -3.139 1.00 0.00 O ATOM 0 H TYR A 782 -9.187 -8.958 -2.684 1.00 0.00 H new ATOM 0 HA TYR A 782 -9.370 -7.851 -0.073 1.00 0.00 H new ATOM 0 HB2 TYR A 782 -10.394 -6.757 -2.717 1.00 0.00 H new ATOM 0 HB3 TYR A 782 -10.082 -5.837 -1.259 1.00 0.00 H new ATOM 0 HD1 TYR A 782 -7.774 -5.876 -0.315 1.00 0.00 H new ATOM 0 HD2 TYR A 782 -8.624 -7.238 -4.219 1.00 0.00 H new ATOM 0 HE1 TYR A 782 -5.419 -5.738 -0.864 1.00 0.00 H new ATOM 0 HE2 TYR A 782 -6.249 -7.037 -4.791 1.00 0.00 H new ATOM 0 HH TYR A 782 -3.980 -5.565 -2.630 1.00 0.00 H new ATOM 1139 N VAL A 783 -11.544 -8.954 0.463 1.00 0.00 N ATOM 1140 CA VAL A 783 -12.849 -9.209 1.011 1.00 0.00 C ATOM 1141 C VAL A 783 -13.195 -8.063 1.923 1.00 0.00 C ATOM 1142 O VAL A 783 -14.168 -8.093 2.677 1.00 0.00 O ATOM 1143 CB VAL A 783 -12.884 -10.523 1.790 1.00 0.00 C ATOM 1144 CG1 VAL A 783 -12.725 -11.674 0.835 1.00 0.00 C ATOM 1145 CG2 VAL A 783 -11.802 -10.530 2.841 1.00 0.00 C ATOM 0 H VAL A 783 -10.782 -9.423 0.953 1.00 0.00 H new ATOM 0 HA VAL A 783 -13.572 -9.296 0.200 1.00 0.00 H new ATOM 0 HB VAL A 783 -13.843 -10.625 2.298 1.00 0.00 H new ATOM 0 HG11 VAL A 783 -12.750 -12.612 1.389 1.00 0.00 H new ATOM 0 HG12 VAL A 783 -13.538 -11.660 0.109 1.00 0.00 H new ATOM 0 HG13 VAL A 783 -11.772 -11.585 0.314 1.00 0.00 H new ATOM 0 HG21 VAL A 783 -11.835 -11.471 3.391 1.00 0.00 H new ATOM 0 HG22 VAL A 783 -10.829 -10.424 2.362 1.00 0.00 H new ATOM 0 HG23 VAL A 783 -11.959 -9.701 3.531 1.00 0.00 H new ATOM 1155 N SER A 784 -12.356 -7.049 1.819 1.00 0.00 N ATOM 1156 CA SER A 784 -12.467 -5.859 2.611 1.00 0.00 C ATOM 1157 C SER A 784 -11.605 -4.761 2.000 1.00 0.00 C ATOM 1158 O SER A 784 -10.413 -4.964 1.773 1.00 0.00 O ATOM 1159 CB SER A 784 -12.007 -6.176 4.018 1.00 0.00 C ATOM 1160 OG SER A 784 -13.095 -6.538 4.850 1.00 0.00 O ATOM 0 H SER A 784 -11.570 -7.038 1.169 1.00 0.00 H new ATOM 0 HA SER A 784 -13.500 -5.511 2.637 1.00 0.00 H new ATOM 0 HB2 SER A 784 -11.282 -6.990 3.990 1.00 0.00 H new ATOM 0 HB3 SER A 784 -11.498 -5.309 4.440 1.00 0.00 H new ATOM 0 HG SER A 784 -13.705 -7.124 4.355 1.00 0.00 H new ATOM 1166 N LYS A 785 -12.206 -3.608 1.710 1.00 0.00 N ATOM 1167 CA LYS A 785 -11.459 -2.498 1.121 1.00 0.00 C ATOM 1168 C LYS A 785 -10.254 -2.159 1.980 1.00 0.00 C ATOM 1169 O LYS A 785 -9.369 -1.428 1.548 1.00 0.00 O ATOM 1170 CB LYS A 785 -12.346 -1.267 0.961 1.00 0.00 C ATOM 1171 CG LYS A 785 -12.487 -0.433 2.221 1.00 0.00 C ATOM 1172 CD LYS A 785 -13.939 -0.064 2.453 1.00 0.00 C ATOM 1173 CE LYS A 785 -14.799 -1.301 2.641 1.00 0.00 C ATOM 1174 NZ LYS A 785 -14.470 -2.023 3.901 1.00 0.00 N ATOM 0 H LYS A 785 -13.195 -3.419 1.871 1.00 0.00 H new ATOM 0 HA LYS A 785 -11.118 -2.808 0.133 1.00 0.00 H new ATOM 0 HB2 LYS A 785 -11.939 -0.640 0.168 1.00 0.00 H new ATOM 0 HB3 LYS A 785 -13.337 -1.587 0.638 1.00 0.00 H new ATOM 0 HG2 LYS A 785 -12.106 -0.989 3.077 1.00 0.00 H new ATOM 0 HG3 LYS A 785 -11.885 0.472 2.135 1.00 0.00 H new ATOM 0 HD2 LYS A 785 -14.018 0.574 3.333 1.00 0.00 H new ATOM 0 HD3 LYS A 785 -14.309 0.514 1.606 1.00 0.00 H new ATOM 0 HE2 LYS A 785 -15.850 -1.013 2.652 1.00 0.00 H new ATOM 0 HE3 LYS A 785 -14.661 -1.971 1.792 1.00 0.00 H new ATOM 0 HZ1 LYS A 785 -15.291 -2.585 4.204 1.00 0.00 H new ATOM 0 HZ2 LYS A 785 -13.660 -2.654 3.738 1.00 0.00 H new ATOM 0 HZ3 LYS A 785 -14.229 -1.335 4.643 1.00 0.00 H new ATOM 1188 N LYS A 786 -10.231 -2.683 3.206 1.00 0.00 N ATOM 1189 CA LYS A 786 -9.121 -2.434 4.108 1.00 0.00 C ATOM 1190 C LYS A 786 -7.930 -3.295 3.727 1.00 0.00 C ATOM 1191 O LYS A 786 -6.791 -2.902 3.924 1.00 0.00 O ATOM 1192 CB LYS A 786 -9.518 -2.671 5.568 1.00 0.00 C ATOM 1193 CG LYS A 786 -10.423 -1.590 6.141 1.00 0.00 C ATOM 1194 CD LYS A 786 -11.859 -1.743 5.667 1.00 0.00 C ATOM 1195 CE LYS A 786 -12.542 -2.936 6.320 1.00 0.00 C ATOM 1196 NZ LYS A 786 -12.549 -2.826 7.805 1.00 0.00 N ATOM 0 H LYS A 786 -10.966 -3.278 3.589 1.00 0.00 H new ATOM 0 HA LYS A 786 -8.840 -1.385 4.013 1.00 0.00 H new ATOM 0 HB2 LYS A 786 -10.023 -3.634 5.646 1.00 0.00 H new ATOM 0 HB3 LYS A 786 -8.615 -2.735 6.175 1.00 0.00 H new ATOM 0 HG2 LYS A 786 -10.394 -1.632 7.230 1.00 0.00 H new ATOM 0 HG3 LYS A 786 -10.047 -0.609 5.849 1.00 0.00 H new ATOM 0 HD2 LYS A 786 -12.416 -0.835 5.895 1.00 0.00 H new ATOM 0 HD3 LYS A 786 -11.874 -1.863 4.584 1.00 0.00 H new ATOM 0 HE2 LYS A 786 -13.567 -3.012 5.957 1.00 0.00 H new ATOM 0 HE3 LYS A 786 -12.031 -3.853 6.026 1.00 0.00 H new ATOM 0 HZ1 LYS A 786 -13.277 -3.457 8.196 1.00 0.00 H new ATOM 0 HZ2 LYS A 786 -11.617 -3.099 8.178 1.00 0.00 H new ATOM 0 HZ3 LYS A 786 -12.758 -1.845 8.079 1.00 0.00 H new ATOM 1210 N LEU A 787 -8.194 -4.494 3.229 1.00 0.00 N ATOM 1211 CA LEU A 787 -7.128 -5.349 2.747 1.00 0.00 C ATOM 1212 C LEU A 787 -6.431 -4.586 1.682 1.00 0.00 C ATOM 1213 O LEU A 787 -5.211 -4.446 1.627 1.00 0.00 O ATOM 1214 CB LEU A 787 -7.717 -6.587 2.098 1.00 0.00 C ATOM 1215 CG LEU A 787 -8.014 -7.704 3.041 1.00 0.00 C ATOM 1216 CD1 LEU A 787 -8.709 -8.823 2.301 1.00 0.00 C ATOM 1217 CD2 LEU A 787 -6.728 -8.142 3.704 1.00 0.00 C ATOM 0 H LEU A 787 -9.130 -4.891 3.150 1.00 0.00 H new ATOM 0 HA LEU A 787 -6.469 -5.639 3.566 1.00 0.00 H new ATOM 0 HB2 LEU A 787 -8.637 -6.309 1.585 1.00 0.00 H new ATOM 0 HB3 LEU A 787 -7.024 -6.946 1.337 1.00 0.00 H new ATOM 0 HG LEU A 787 -8.694 -7.379 3.829 1.00 0.00 H new ATOM 0 HD11 LEU A 787 -8.925 -9.638 2.992 1.00 0.00 H new ATOM 0 HD12 LEU A 787 -9.641 -8.453 1.874 1.00 0.00 H new ATOM 0 HD13 LEU A 787 -8.063 -9.187 1.502 1.00 0.00 H new ATOM 0 HD21 LEU A 787 -6.935 -8.959 4.396 1.00 0.00 H new ATOM 0 HD22 LEU A 787 -6.024 -8.480 2.944 1.00 0.00 H new ATOM 0 HD23 LEU A 787 -6.297 -7.304 4.251 1.00 0.00 H new ATOM 1229 N PHE A 788 -7.293 -4.106 0.840 1.00 0.00 N ATOM 1230 CA PHE A 788 -6.959 -3.312 -0.280 1.00 0.00 C ATOM 1231 C PHE A 788 -6.260 -2.054 0.137 1.00 0.00 C ATOM 1232 O PHE A 788 -5.258 -1.652 -0.454 1.00 0.00 O ATOM 1233 CB PHE A 788 -8.233 -3.019 -0.985 1.00 0.00 C ATOM 1234 CG PHE A 788 -7.922 -2.586 -2.326 1.00 0.00 C ATOM 1235 CD1 PHE A 788 -7.616 -1.306 -2.473 1.00 0.00 C ATOM 1236 CD2 PHE A 788 -7.893 -3.427 -3.405 1.00 0.00 C ATOM 1237 CE1 PHE A 788 -7.281 -0.795 -3.665 1.00 0.00 C ATOM 1238 CE2 PHE A 788 -7.555 -2.927 -4.633 1.00 0.00 C ATOM 1239 CZ PHE A 788 -7.250 -1.602 -4.760 1.00 0.00 C ATOM 0 H PHE A 788 -8.296 -4.271 0.928 1.00 0.00 H new ATOM 0 HA PHE A 788 -6.266 -3.836 -0.938 1.00 0.00 H new ATOM 0 HB2 PHE A 788 -8.865 -3.906 -1.010 1.00 0.00 H new ATOM 0 HB3 PHE A 788 -8.790 -2.246 -0.456 1.00 0.00 H new ATOM 0 HD1 PHE A 788 -7.637 -0.657 -1.610 1.00 0.00 H new ATOM 0 HD2 PHE A 788 -8.134 -4.473 -3.289 1.00 0.00 H new ATOM 0 HE1 PHE A 788 -7.037 0.253 -3.757 1.00 0.00 H new ATOM 0 HE2 PHE A 788 -7.530 -3.576 -5.496 1.00 0.00 H new ATOM 0 HZ PHE A 788 -6.985 -1.196 -5.725 1.00 0.00 H new ATOM 1249 N MET A 789 -6.791 -1.436 1.158 1.00 0.00 N ATOM 1250 CA MET A 789 -6.212 -0.234 1.666 1.00 0.00 C ATOM 1251 C MET A 789 -4.826 -0.526 2.184 1.00 0.00 C ATOM 1252 O MET A 789 -3.847 -0.077 1.629 1.00 0.00 O ATOM 1253 CB MET A 789 -7.078 0.311 2.764 1.00 0.00 C ATOM 1254 CG MET A 789 -8.187 1.174 2.224 1.00 0.00 C ATOM 1255 SD MET A 789 -8.384 2.670 3.169 1.00 0.00 S ATOM 1256 CE MET A 789 -7.723 3.803 1.970 1.00 0.00 C ATOM 0 H MET A 789 -7.626 -1.751 1.652 1.00 0.00 H new ATOM 0 HA MET A 789 -6.142 0.509 0.871 1.00 0.00 H new ATOM 0 HB2 MET A 789 -7.504 -0.514 3.334 1.00 0.00 H new ATOM 0 HB3 MET A 789 -6.467 0.893 3.454 1.00 0.00 H new ATOM 0 HG2 MET A 789 -7.977 1.426 1.184 1.00 0.00 H new ATOM 0 HG3 MET A 789 -9.121 0.613 2.234 1.00 0.00 H new ATOM 0 HE1 MET A 789 -7.015 4.475 2.456 1.00 0.00 H new ATOM 0 HE2 MET A 789 -7.213 3.245 1.184 1.00 0.00 H new ATOM 0 HE3 MET A 789 -8.535 4.385 1.534 1.00 0.00 H new ATOM 1266 N ALA A 790 -4.777 -1.345 3.214 1.00 0.00 N ATOM 1267 CA ALA A 790 -3.536 -1.741 3.862 1.00 0.00 C ATOM 1268 C ALA A 790 -2.448 -2.149 2.884 1.00 0.00 C ATOM 1269 O ALA A 790 -1.321 -1.689 2.992 1.00 0.00 O ATOM 1270 CB ALA A 790 -3.804 -2.916 4.774 1.00 0.00 C ATOM 0 H ALA A 790 -5.608 -1.762 3.633 1.00 0.00 H new ATOM 0 HA ALA A 790 -3.182 -0.868 4.410 1.00 0.00 H new ATOM 0 HB1 ALA A 790 -2.877 -3.217 5.262 1.00 0.00 H new ATOM 0 HB2 ALA A 790 -4.536 -2.631 5.530 1.00 0.00 H new ATOM 0 HB3 ALA A 790 -4.193 -3.749 4.189 1.00 0.00 H new ATOM 1276 N ASP A 791 -2.791 -3.030 1.952 1.00 0.00 N ATOM 1277 CA ASP A 791 -1.827 -3.540 0.987 1.00 0.00 C ATOM 1278 C ASP A 791 -1.395 -2.462 -0.006 1.00 0.00 C ATOM 1279 O ASP A 791 -0.213 -2.200 -0.161 1.00 0.00 O ATOM 1280 CB ASP A 791 -2.390 -4.770 0.282 1.00 0.00 C ATOM 1281 CG ASP A 791 -2.493 -5.965 1.212 1.00 0.00 C ATOM 1282 OD1 ASP A 791 -3.166 -5.850 2.257 1.00 0.00 O ATOM 1283 OD2 ASP A 791 -1.894 -7.013 0.898 1.00 0.00 O ATOM 0 H ASP A 791 -3.733 -3.407 1.845 1.00 0.00 H new ATOM 0 HA ASP A 791 -0.928 -3.839 1.527 1.00 0.00 H new ATOM 0 HB2 ASP A 791 -3.376 -4.537 -0.119 1.00 0.00 H new ATOM 0 HB3 ASP A 791 -1.753 -5.025 -0.565 1.00 0.00 H new ATOM 1288 N LEU A 792 -2.318 -1.840 -0.709 1.00 0.00 N ATOM 1289 CA LEU A 792 -1.909 -0.771 -1.608 1.00 0.00 C ATOM 1290 C LEU A 792 -1.142 0.238 -0.790 1.00 0.00 C ATOM 1291 O LEU A 792 -0.152 0.815 -1.236 1.00 0.00 O ATOM 1292 CB LEU A 792 -3.111 -0.081 -2.239 1.00 0.00 C ATOM 1293 CG LEU A 792 -3.172 -0.090 -3.742 1.00 0.00 C ATOM 1294 CD1 LEU A 792 -4.266 0.844 -4.187 1.00 0.00 C ATOM 1295 CD2 LEU A 792 -1.837 0.301 -4.331 1.00 0.00 C ATOM 0 H LEU A 792 -3.318 -2.041 -0.683 1.00 0.00 H new ATOM 0 HA LEU A 792 -1.303 -1.189 -2.412 1.00 0.00 H new ATOM 0 HB2 LEU A 792 -4.016 -0.553 -1.857 1.00 0.00 H new ATOM 0 HB3 LEU A 792 -3.126 0.956 -1.902 1.00 0.00 H new ATOM 0 HG LEU A 792 -3.397 -1.095 -4.098 1.00 0.00 H new ATOM 0 HD11 LEU A 792 -4.321 0.847 -5.276 1.00 0.00 H new ATOM 0 HD12 LEU A 792 -5.219 0.510 -3.776 1.00 0.00 H new ATOM 0 HD13 LEU A 792 -4.051 1.852 -3.832 1.00 0.00 H new ATOM 0 HD21 LEU A 792 -1.902 0.289 -5.419 1.00 0.00 H new ATOM 0 HD22 LEU A 792 -1.570 1.303 -3.995 1.00 0.00 H new ATOM 0 HD23 LEU A 792 -1.074 -0.406 -4.005 1.00 0.00 H new ATOM 1307 N GLN A 793 -1.610 0.409 0.437 1.00 0.00 N ATOM 1308 CA GLN A 793 -0.990 1.321 1.368 1.00 0.00 C ATOM 1309 C GLN A 793 0.327 0.730 1.788 1.00 0.00 C ATOM 1310 O GLN A 793 1.242 1.422 2.221 1.00 0.00 O ATOM 1311 CB GLN A 793 -1.882 1.546 2.580 1.00 0.00 C ATOM 1312 CG GLN A 793 -3.047 2.467 2.293 1.00 0.00 C ATOM 1313 CD GLN A 793 -4.009 2.569 3.460 1.00 0.00 C ATOM 1314 OE1 GLN A 793 -3.609 2.426 4.615 1.00 0.00 O ATOM 1315 NE2 GLN A 793 -5.285 2.819 3.174 1.00 0.00 N ATOM 0 H GLN A 793 -2.425 -0.080 0.807 1.00 0.00 H new ATOM 0 HA GLN A 793 -0.836 2.290 0.892 1.00 0.00 H new ATOM 0 HB2 GLN A 793 -2.262 0.586 2.928 1.00 0.00 H new ATOM 0 HB3 GLN A 793 -1.286 1.965 3.390 1.00 0.00 H new ATOM 0 HG2 GLN A 793 -2.669 3.460 2.050 1.00 0.00 H new ATOM 0 HG3 GLN A 793 -3.583 2.106 1.415 1.00 0.00 H new ATOM 0 HE21 GLN A 793 -5.578 2.931 2.203 1.00 0.00 H new ATOM 0 HE22 GLN A 793 -5.970 2.898 3.926 1.00 0.00 H new ATOM 1324 N ARG A 794 0.383 -0.581 1.643 1.00 0.00 N ATOM 1325 CA ARG A 794 1.556 -1.351 1.957 1.00 0.00 C ATOM 1326 C ARG A 794 2.618 -1.075 0.900 1.00 0.00 C ATOM 1327 O ARG A 794 3.810 -1.201 1.167 1.00 0.00 O ATOM 1328 CB ARG A 794 1.200 -2.830 2.025 1.00 0.00 C ATOM 1329 CG ARG A 794 2.334 -3.666 2.545 1.00 0.00 C ATOM 1330 CD ARG A 794 2.620 -3.397 4.001 1.00 0.00 C ATOM 1331 NE ARG A 794 3.919 -2.759 4.199 1.00 0.00 N ATOM 1332 CZ ARG A 794 4.227 -2.020 5.261 1.00 0.00 C ATOM 1333 NH1 ARG A 794 3.326 -1.811 6.213 1.00 0.00 N ATOM 1334 NH2 ARG A 794 5.435 -1.485 5.370 1.00 0.00 N ATOM 0 H ARG A 794 -0.398 -1.141 1.299 1.00 0.00 H new ATOM 0 HA ARG A 794 1.952 -1.065 2.931 1.00 0.00 H new ATOM 0 HB2 ARG A 794 0.329 -2.963 2.667 1.00 0.00 H new ATOM 0 HB3 ARG A 794 0.919 -3.180 1.032 1.00 0.00 H new ATOM 0 HG2 ARG A 794 2.096 -4.721 2.412 1.00 0.00 H new ATOM 0 HG3 ARG A 794 3.230 -3.465 1.958 1.00 0.00 H new ATOM 0 HD2 ARG A 794 1.837 -2.759 4.411 1.00 0.00 H new ATOM 0 HD3 ARG A 794 2.590 -4.335 4.555 1.00 0.00 H new ATOM 0 HE ARG A 794 4.632 -2.888 3.481 1.00 0.00 H new ATOM 0 HH11 ARG A 794 2.394 -2.218 6.131 1.00 0.00 H new ATOM 0 HH12 ARG A 794 3.565 -1.244 7.026 1.00 0.00 H new ATOM 0 HH21 ARG A 794 6.129 -1.640 4.639 1.00 0.00 H new ATOM 0 HH22 ARG A 794 5.670 -0.918 6.185 1.00 0.00 H new ATOM 1348 N VAL A 795 2.181 -0.687 -0.313 1.00 0.00 N ATOM 1349 CA VAL A 795 3.132 -0.350 -1.365 1.00 0.00 C ATOM 1350 C VAL A 795 3.663 1.051 -1.099 1.00 0.00 C ATOM 1351 O VAL A 795 4.854 1.234 -0.912 1.00 0.00 O ATOM 1352 CB VAL A 795 2.567 -0.484 -2.819 1.00 0.00 C ATOM 1353 CG1 VAL A 795 1.379 -1.416 -2.836 1.00 0.00 C ATOM 1354 CG2 VAL A 795 2.201 0.849 -3.473 1.00 0.00 C ATOM 0 H VAL A 795 1.199 -0.603 -0.576 1.00 0.00 H new ATOM 0 HA VAL A 795 3.938 -1.083 -1.326 1.00 0.00 H new ATOM 0 HB VAL A 795 3.379 -0.899 -3.417 1.00 0.00 H new ATOM 0 HG11 VAL A 795 0.997 -1.500 -3.853 1.00 0.00 H new ATOM 0 HG12 VAL A 795 1.684 -2.400 -2.481 1.00 0.00 H new ATOM 0 HG13 VAL A 795 0.598 -1.022 -2.186 1.00 0.00 H new ATOM 0 HG21 VAL A 795 1.818 0.668 -4.477 1.00 0.00 H new ATOM 0 HG22 VAL A 795 1.437 1.349 -2.878 1.00 0.00 H new ATOM 0 HG23 VAL A 795 3.087 1.481 -3.531 1.00 0.00 H new ATOM 1364 N PHE A 796 2.761 2.023 -1.001 1.00 0.00 N ATOM 1365 CA PHE A 796 3.159 3.408 -0.746 1.00 0.00 C ATOM 1366 C PHE A 796 4.044 3.488 0.489 1.00 0.00 C ATOM 1367 O PHE A 796 5.120 4.071 0.451 1.00 0.00 O ATOM 1368 CB PHE A 796 1.947 4.312 -0.533 1.00 0.00 C ATOM 1369 CG PHE A 796 0.728 3.901 -1.299 1.00 0.00 C ATOM 1370 CD1 PHE A 796 0.789 3.621 -2.644 1.00 0.00 C ATOM 1371 CD2 PHE A 796 -0.473 3.764 -0.660 1.00 0.00 C ATOM 1372 CE1 PHE A 796 -0.324 3.211 -3.334 1.00 0.00 C ATOM 1373 CE2 PHE A 796 -1.587 3.356 -1.348 1.00 0.00 C ATOM 1374 CZ PHE A 796 -1.505 3.079 -2.691 1.00 0.00 C ATOM 0 H PHE A 796 1.755 1.881 -1.093 1.00 0.00 H new ATOM 0 HA PHE A 796 3.706 3.749 -1.625 1.00 0.00 H new ATOM 0 HB2 PHE A 796 1.705 4.330 0.530 1.00 0.00 H new ATOM 0 HB3 PHE A 796 2.214 5.330 -0.817 1.00 0.00 H new ATOM 0 HD1 PHE A 796 1.729 3.726 -3.166 1.00 0.00 H new ATOM 0 HD2 PHE A 796 -0.545 3.979 0.396 1.00 0.00 H new ATOM 0 HE1 PHE A 796 -0.256 2.994 -4.390 1.00 0.00 H new ATOM 0 HE2 PHE A 796 -2.531 3.252 -0.833 1.00 0.00 H new ATOM 0 HZ PHE A 796 -2.383 2.756 -3.232 1.00 0.00 H new ATOM 1384 N THR A 797 3.577 2.887 1.583 1.00 0.00 N ATOM 1385 CA THR A 797 4.315 2.905 2.841 1.00 0.00 C ATOM 1386 C THR A 797 5.674 2.228 2.710 1.00 0.00 C ATOM 1387 O THR A 797 6.669 2.754 3.196 1.00 0.00 O ATOM 1388 CB THR A 797 3.514 2.249 3.988 1.00 0.00 C ATOM 1389 OG1 THR A 797 4.062 2.643 5.250 1.00 0.00 O ATOM 1390 CG2 THR A 797 3.527 0.729 3.888 1.00 0.00 C ATOM 0 H THR A 797 2.691 2.382 1.621 1.00 0.00 H new ATOM 0 HA THR A 797 4.473 3.955 3.087 1.00 0.00 H new ATOM 0 HB THR A 797 2.481 2.587 3.904 1.00 0.00 H new ATOM 0 HG1 THR A 797 4.987 2.326 5.318 1.00 0.00 H new ATOM 0 HG21 THR A 797 2.953 0.305 4.712 1.00 0.00 H new ATOM 0 HG22 THR A 797 3.082 0.423 2.941 1.00 0.00 H new ATOM 0 HG23 THR A 797 4.555 0.370 3.939 1.00 0.00 H new ATOM 1398 N ASN A 798 5.720 1.058 2.069 1.00 0.00 N ATOM 1399 CA ASN A 798 6.985 0.360 1.887 1.00 0.00 C ATOM 1400 C ASN A 798 7.855 1.142 0.924 1.00 0.00 C ATOM 1401 O ASN A 798 9.082 1.080 0.971 1.00 0.00 O ATOM 1402 CB ASN A 798 6.770 -1.060 1.368 1.00 0.00 C ATOM 1403 CG ASN A 798 6.844 -1.164 -0.146 1.00 0.00 C ATOM 1404 OD1 ASN A 798 5.827 -1.196 -0.824 1.00 0.00 O ATOM 1405 ND2 ASN A 798 8.057 -1.218 -0.686 1.00 0.00 N ATOM 0 H ASN A 798 4.908 0.584 1.675 1.00 0.00 H new ATOM 0 HA ASN A 798 7.480 0.285 2.855 1.00 0.00 H new ATOM 0 HB2 ASN A 798 7.520 -1.718 1.808 1.00 0.00 H new ATOM 0 HB3 ASN A 798 5.797 -1.418 1.703 1.00 0.00 H new ATOM 0 HD21 ASN A 798 8.162 -1.289 -1.698 1.00 0.00 H new ATOM 0 HD22 ASN A 798 8.883 -1.189 -0.088 1.00 0.00 H new ATOM 1412 N CYS A 799 7.197 1.898 0.059 1.00 0.00 N ATOM 1413 CA CYS A 799 7.880 2.699 -0.918 1.00 0.00 C ATOM 1414 C CYS A 799 8.409 3.956 -0.252 1.00 0.00 C ATOM 1415 O CYS A 799 9.421 4.532 -0.644 1.00 0.00 O ATOM 1416 CB CYS A 799 6.938 2.965 -2.072 1.00 0.00 C ATOM 1417 SG CYS A 799 6.455 1.432 -2.890 1.00 0.00 S ATOM 0 H CYS A 799 6.180 1.967 0.022 1.00 0.00 H new ATOM 0 HA CYS A 799 8.747 2.183 -1.330 1.00 0.00 H new ATOM 0 HB2 CYS A 799 6.050 3.481 -1.708 1.00 0.00 H new ATOM 0 HB3 CYS A 799 7.419 3.628 -2.791 1.00 0.00 H new ATOM 0 HG CYS A 799 6.157 1.678 -4.131 1.00 0.00 H new ATOM 1423 N LYS A 800 7.675 4.351 0.762 1.00 0.00 N ATOM 1424 CA LYS A 800 7.976 5.486 1.608 1.00 0.00 C ATOM 1425 C LYS A 800 8.907 5.067 2.755 1.00 0.00 C ATOM 1426 O LYS A 800 9.545 5.890 3.404 1.00 0.00 O ATOM 1427 CB LYS A 800 6.661 5.997 2.125 1.00 0.00 C ATOM 1428 CG LYS A 800 5.944 6.861 1.118 1.00 0.00 C ATOM 1429 CD LYS A 800 4.462 6.844 1.357 1.00 0.00 C ATOM 1430 CE LYS A 800 4.070 7.956 2.291 1.00 0.00 C ATOM 1431 NZ LYS A 800 3.424 7.449 3.532 1.00 0.00 N ATOM 0 H LYS A 800 6.816 3.872 1.032 1.00 0.00 H new ATOM 0 HA LYS A 800 8.496 6.268 1.055 1.00 0.00 H new ATOM 0 HB2 LYS A 800 6.026 5.152 2.393 1.00 0.00 H new ATOM 0 HB3 LYS A 800 6.830 6.570 3.037 1.00 0.00 H new ATOM 0 HG2 LYS A 800 6.315 7.884 1.181 1.00 0.00 H new ATOM 0 HG3 LYS A 800 6.158 6.506 0.110 1.00 0.00 H new ATOM 0 HD2 LYS A 800 3.933 6.952 0.410 1.00 0.00 H new ATOM 0 HD3 LYS A 800 4.166 5.884 1.780 1.00 0.00 H new ATOM 0 HE2 LYS A 800 4.955 8.535 2.555 1.00 0.00 H new ATOM 0 HE3 LYS A 800 3.387 8.634 1.779 1.00 0.00 H new ATOM 0 HZ1 LYS A 800 3.172 8.251 4.144 1.00 0.00 H new ATOM 0 HZ2 LYS A 800 2.564 6.919 3.284 1.00 0.00 H new ATOM 0 HZ3 LYS A 800 4.084 6.823 4.036 1.00 0.00 H new ATOM 1445 N GLU A 801 8.943 3.759 3.003 1.00 0.00 N ATOM 1446 CA GLU A 801 9.732 3.170 4.089 1.00 0.00 C ATOM 1447 C GLU A 801 11.205 3.044 3.765 1.00 0.00 C ATOM 1448 O GLU A 801 12.071 3.646 4.400 1.00 0.00 O ATOM 1449 CB GLU A 801 9.237 1.745 4.309 1.00 0.00 C ATOM 1450 CG GLU A 801 8.658 1.471 5.686 1.00 0.00 C ATOM 1451 CD GLU A 801 7.821 2.621 6.214 1.00 0.00 C ATOM 1452 OE1 GLU A 801 6.605 2.648 5.933 1.00 0.00 O ATOM 1453 OE2 GLU A 801 8.383 3.493 6.909 1.00 0.00 O ATOM 0 H GLU A 801 8.424 3.073 2.455 1.00 0.00 H new ATOM 0 HA GLU A 801 9.615 3.826 4.952 1.00 0.00 H new ATOM 0 HB2 GLU A 801 8.477 1.521 3.561 1.00 0.00 H new ATOM 0 HB3 GLU A 801 10.066 1.058 4.137 1.00 0.00 H new ATOM 0 HG2 GLU A 801 8.045 0.571 5.644 1.00 0.00 H new ATOM 0 HG3 GLU A 801 9.471 1.270 6.383 1.00 0.00 H new ATOM 1460 N TYR A 802 11.449 2.246 2.752 1.00 0.00 N ATOM 1461 CA TYR A 802 12.777 1.923 2.291 1.00 0.00 C ATOM 1462 C TYR A 802 13.424 3.084 1.579 1.00 0.00 C ATOM 1463 O TYR A 802 14.495 3.554 1.957 1.00 0.00 O ATOM 1464 CB TYR A 802 12.636 0.723 1.363 1.00 0.00 C ATOM 1465 CG TYR A 802 13.891 0.206 0.733 1.00 0.00 C ATOM 1466 CD1 TYR A 802 15.158 0.705 1.016 1.00 0.00 C ATOM 1467 CD2 TYR A 802 13.777 -0.811 -0.171 1.00 0.00 C ATOM 1468 CE1 TYR A 802 16.273 0.182 0.396 1.00 0.00 C ATOM 1469 CE2 TYR A 802 14.867 -1.338 -0.793 1.00 0.00 C ATOM 1470 CZ TYR A 802 16.122 -0.843 -0.512 1.00 0.00 C ATOM 1471 OH TYR A 802 17.222 -1.368 -1.141 1.00 0.00 O ATOM 0 H TYR A 802 10.711 1.793 2.213 1.00 0.00 H new ATOM 0 HA TYR A 802 13.426 1.694 3.137 1.00 0.00 H new ATOM 0 HB2 TYR A 802 12.179 -0.090 1.927 1.00 0.00 H new ATOM 0 HB3 TYR A 802 11.941 0.989 0.567 1.00 0.00 H new ATOM 0 HD1 TYR A 802 15.270 1.509 1.728 1.00 0.00 H new ATOM 0 HD2 TYR A 802 12.798 -1.207 -0.398 1.00 0.00 H new ATOM 0 HE1 TYR A 802 17.255 0.572 0.620 1.00 0.00 H new ATOM 0 HE2 TYR A 802 14.749 -2.142 -1.505 1.00 0.00 H new ATOM 0 HH TYR A 802 17.976 -1.393 -0.515 1.00 0.00 H new ATOM 1481 N ASN A 803 12.751 3.542 0.561 1.00 0.00 N ATOM 1482 CA ASN A 803 13.250 4.633 -0.253 1.00 0.00 C ATOM 1483 C ASN A 803 13.381 5.921 0.530 1.00 0.00 C ATOM 1484 O ASN A 803 12.820 6.068 1.615 1.00 0.00 O ATOM 1485 CB ASN A 803 12.308 4.889 -1.419 1.00 0.00 C ATOM 1486 CG ASN A 803 12.951 4.624 -2.760 1.00 0.00 C ATOM 1487 OD1 ASN A 803 12.619 5.264 -3.751 1.00 0.00 O ATOM 1488 ND2 ASN A 803 13.850 3.646 -2.811 1.00 0.00 N ATOM 0 H ASN A 803 11.845 3.177 0.267 1.00 0.00 H new ATOM 0 HA ASN A 803 14.237 4.332 -0.604 1.00 0.00 H new ATOM 0 HB2 ASN A 803 11.426 4.257 -1.313 1.00 0.00 H new ATOM 0 HB3 ASN A 803 11.966 5.923 -1.383 1.00 0.00 H new ATOM 0 HD21 ASN A 803 14.291 3.404 -3.698 1.00 0.00 H new ATOM 0 HD22 ASN A 803 14.099 3.137 -1.963 1.00 0.00 H new ATOM 1495 N PRO A 804 14.193 6.842 -0.002 1.00 0.00 N ATOM 1496 CA PRO A 804 14.362 8.179 0.540 1.00 0.00 C ATOM 1497 C PRO A 804 13.393 9.125 -0.160 1.00 0.00 C ATOM 1498 O PRO A 804 13.086 8.927 -1.332 1.00 0.00 O ATOM 1499 CB PRO A 804 15.781 8.508 0.140 1.00 0.00 C ATOM 1500 CG PRO A 804 15.902 7.886 -1.212 1.00 0.00 C ATOM 1501 CD PRO A 804 15.084 6.622 -1.159 1.00 0.00 C ATOM 0 HA PRO A 804 14.179 8.259 1.612 1.00 0.00 H new ATOM 0 HB2 PRO A 804 15.951 9.584 0.106 1.00 0.00 H new ATOM 0 HB3 PRO A 804 16.505 8.093 0.841 1.00 0.00 H new ATOM 0 HG2 PRO A 804 15.532 8.559 -1.986 1.00 0.00 H new ATOM 0 HG3 PRO A 804 16.943 7.668 -1.450 1.00 0.00 H new ATOM 0 HD2 PRO A 804 14.519 6.470 -2.079 1.00 0.00 H new ATOM 0 HD3 PRO A 804 15.712 5.742 -1.021 1.00 0.00 H new ATOM 1509 N PRO A 805 12.893 10.158 0.520 1.00 0.00 N ATOM 1510 CA PRO A 805 11.937 11.086 -0.082 1.00 0.00 C ATOM 1511 C PRO A 805 12.568 11.907 -1.208 1.00 0.00 C ATOM 1512 O PRO A 805 11.989 12.890 -1.673 1.00 0.00 O ATOM 1513 CB PRO A 805 11.498 11.978 1.082 1.00 0.00 C ATOM 1514 CG PRO A 805 12.024 11.320 2.319 1.00 0.00 C ATOM 1515 CD PRO A 805 13.221 10.518 1.895 1.00 0.00 C ATOM 0 HA PRO A 805 11.101 10.566 -0.550 1.00 0.00 H new ATOM 0 HB2 PRO A 805 11.898 12.986 0.975 1.00 0.00 H new ATOM 0 HB3 PRO A 805 10.412 12.068 1.118 1.00 0.00 H new ATOM 0 HG2 PRO A 805 12.299 12.063 3.067 1.00 0.00 H new ATOM 0 HG3 PRO A 805 11.267 10.679 2.770 1.00 0.00 H new ATOM 0 HD2 PRO A 805 14.140 11.101 1.953 1.00 0.00 H new ATOM 0 HD3 PRO A 805 13.362 9.637 2.522 1.00 0.00 H new ATOM 1523 N GLU A 806 13.762 11.492 -1.636 1.00 0.00 N ATOM 1524 CA GLU A 806 14.479 12.162 -2.715 1.00 0.00 C ATOM 1525 C GLU A 806 14.558 11.255 -3.941 1.00 0.00 C ATOM 1526 O GLU A 806 14.826 11.713 -5.053 1.00 0.00 O ATOM 1527 CB GLU A 806 15.887 12.537 -2.259 1.00 0.00 C ATOM 1528 CG GLU A 806 15.913 13.417 -1.020 1.00 0.00 C ATOM 1529 CD GLU A 806 17.322 13.757 -0.577 1.00 0.00 C ATOM 1530 OE1 GLU A 806 17.906 12.971 0.200 1.00 0.00 O ATOM 1531 OE2 GLU A 806 17.842 14.808 -1.005 1.00 0.00 O ATOM 0 H GLU A 806 14.253 10.688 -1.246 1.00 0.00 H new ATOM 0 HA GLU A 806 13.937 13.070 -2.980 1.00 0.00 H new ATOM 0 HB2 GLU A 806 16.449 11.625 -2.058 1.00 0.00 H new ATOM 0 HB3 GLU A 806 16.397 13.054 -3.072 1.00 0.00 H new ATOM 0 HG2 GLU A 806 15.367 14.339 -1.222 1.00 0.00 H new ATOM 0 HG3 GLU A 806 15.393 12.910 -0.207 1.00 0.00 H new ATOM 1538 N SER A 807 14.330 9.962 -3.718 1.00 0.00 N ATOM 1539 CA SER A 807 14.353 8.964 -4.780 1.00 0.00 C ATOM 1540 C SER A 807 13.296 9.259 -5.824 1.00 0.00 C ATOM 1541 O SER A 807 12.817 10.387 -5.945 1.00 0.00 O ATOM 1542 CB SER A 807 14.096 7.590 -4.192 1.00 0.00 C ATOM 1543 OG SER A 807 12.918 7.597 -3.407 1.00 0.00 O ATOM 0 H SER A 807 14.124 9.579 -2.795 1.00 0.00 H new ATOM 0 HA SER A 807 15.334 8.994 -5.254 1.00 0.00 H new ATOM 0 HB2 SER A 807 14.001 6.857 -4.993 1.00 0.00 H new ATOM 0 HB3 SER A 807 14.945 7.285 -3.580 1.00 0.00 H new ATOM 0 HG SER A 807 12.410 6.776 -3.573 1.00 0.00 H new ATOM 1549 N GLU A 808 12.925 8.237 -6.576 1.00 0.00 N ATOM 1550 CA GLU A 808 11.909 8.394 -7.592 1.00 0.00 C ATOM 1551 C GLU A 808 10.585 7.794 -7.139 1.00 0.00 C ATOM 1552 O GLU A 808 9.528 8.365 -7.409 1.00 0.00 O ATOM 1553 CB GLU A 808 12.345 7.768 -8.923 1.00 0.00 C ATOM 1554 CG GLU A 808 13.329 6.618 -8.785 1.00 0.00 C ATOM 1555 CD GLU A 808 12.805 5.491 -7.921 1.00 0.00 C ATOM 1556 OE1 GLU A 808 11.954 4.715 -8.406 1.00 0.00 O ATOM 1557 OE2 GLU A 808 13.249 5.380 -6.759 1.00 0.00 O ATOM 0 H GLU A 808 13.312 7.296 -6.500 1.00 0.00 H new ATOM 0 HA GLU A 808 11.771 9.464 -7.748 1.00 0.00 H new ATOM 0 HB2 GLU A 808 11.460 7.411 -9.450 1.00 0.00 H new ATOM 0 HB3 GLU A 808 12.795 8.542 -9.544 1.00 0.00 H new ATOM 0 HG2 GLU A 808 13.566 6.229 -9.775 1.00 0.00 H new ATOM 0 HG3 GLU A 808 14.260 6.993 -8.359 1.00 0.00 H new ATOM 1564 N TYR A 809 10.622 6.649 -6.448 1.00 0.00 N ATOM 1565 CA TYR A 809 9.367 6.033 -6.033 1.00 0.00 C ATOM 1566 C TYR A 809 8.813 6.503 -4.690 1.00 0.00 C ATOM 1567 O TYR A 809 7.601 6.450 -4.483 1.00 0.00 O ATOM 1568 CB TYR A 809 9.372 4.519 -6.137 1.00 0.00 C ATOM 1569 CG TYR A 809 10.224 3.735 -5.193 1.00 0.00 C ATOM 1570 CD1 TYR A 809 9.753 3.333 -3.953 1.00 0.00 C ATOM 1571 CD2 TYR A 809 11.472 3.330 -5.580 1.00 0.00 C ATOM 1572 CE1 TYR A 809 10.528 2.548 -3.123 1.00 0.00 C ATOM 1573 CE2 TYR A 809 12.240 2.554 -4.791 1.00 0.00 C ATOM 1574 CZ TYR A 809 11.775 2.150 -3.550 1.00 0.00 C ATOM 1575 OH TYR A 809 12.560 1.359 -2.742 1.00 0.00 O ATOM 0 H TYR A 809 11.470 6.151 -6.176 1.00 0.00 H new ATOM 0 HA TYR A 809 8.662 6.409 -6.774 1.00 0.00 H new ATOM 0 HB2 TYR A 809 8.344 4.177 -6.016 1.00 0.00 H new ATOM 0 HB3 TYR A 809 9.677 4.259 -7.151 1.00 0.00 H new ATOM 0 HD1 TYR A 809 8.768 3.638 -3.632 1.00 0.00 H new ATOM 0 HD2 TYR A 809 11.851 3.640 -6.542 1.00 0.00 H new ATOM 0 HE1 TYR A 809 10.161 2.250 -2.152 1.00 0.00 H new ATOM 0 HE2 TYR A 809 13.219 2.246 -5.126 1.00 0.00 H new ATOM 0 HH TYR A 809 12.082 1.166 -1.909 1.00 0.00 H new ATOM 1585 N TYR A 810 9.666 6.949 -3.776 1.00 0.00 N ATOM 1586 CA TYR A 810 9.181 7.420 -2.474 1.00 0.00 C ATOM 1587 C TYR A 810 8.041 8.419 -2.645 1.00 0.00 C ATOM 1588 O TYR A 810 6.929 8.204 -2.166 1.00 0.00 O ATOM 1589 CB TYR A 810 10.300 8.091 -1.681 1.00 0.00 C ATOM 1590 CG TYR A 810 9.988 8.274 -0.208 1.00 0.00 C ATOM 1591 CD1 TYR A 810 8.792 8.820 0.207 1.00 0.00 C ATOM 1592 CD2 TYR A 810 10.900 7.912 0.760 1.00 0.00 C ATOM 1593 CE1 TYR A 810 8.513 8.999 1.542 1.00 0.00 C ATOM 1594 CE2 TYR A 810 10.635 8.087 2.102 1.00 0.00 C ATOM 1595 CZ TYR A 810 9.437 8.633 2.489 1.00 0.00 C ATOM 1596 OH TYR A 810 9.162 8.811 3.825 1.00 0.00 O ATOM 0 H TYR A 810 10.677 6.997 -3.902 1.00 0.00 H new ATOM 0 HA TYR A 810 8.823 6.545 -1.931 1.00 0.00 H new ATOM 0 HB2 TYR A 810 11.208 7.496 -1.778 1.00 0.00 H new ATOM 0 HB3 TYR A 810 10.509 9.066 -2.121 1.00 0.00 H new ATOM 0 HD1 TYR A 810 8.060 9.113 -0.531 1.00 0.00 H new ATOM 0 HD2 TYR A 810 11.844 7.481 0.461 1.00 0.00 H new ATOM 0 HE1 TYR A 810 7.569 9.427 1.845 1.00 0.00 H new ATOM 0 HE2 TYR A 810 11.365 7.796 2.843 1.00 0.00 H new ATOM 0 HH TYR A 810 9.164 7.942 4.278 1.00 0.00 H new ATOM 1606 N LYS A 811 8.328 9.526 -3.310 1.00 0.00 N ATOM 1607 CA LYS A 811 7.318 10.554 -3.530 1.00 0.00 C ATOM 1608 C LYS A 811 6.168 9.976 -4.313 1.00 0.00 C ATOM 1609 O LYS A 811 5.017 10.300 -4.064 1.00 0.00 O ATOM 1610 CB LYS A 811 7.891 11.741 -4.289 1.00 0.00 C ATOM 1611 CG LYS A 811 9.395 11.696 -4.455 1.00 0.00 C ATOM 1612 CD LYS A 811 9.843 12.542 -5.630 1.00 0.00 C ATOM 1613 CE LYS A 811 9.507 13.999 -5.394 1.00 0.00 C ATOM 1614 NZ LYS A 811 10.687 14.776 -4.928 1.00 0.00 N ATOM 0 H LYS A 811 9.244 9.737 -3.705 1.00 0.00 H new ATOM 0 HA LYS A 811 6.974 10.900 -2.555 1.00 0.00 H new ATOM 0 HB2 LYS A 811 7.428 11.787 -5.275 1.00 0.00 H new ATOM 0 HB3 LYS A 811 7.620 12.659 -3.766 1.00 0.00 H new ATOM 0 HG2 LYS A 811 9.875 12.052 -3.543 1.00 0.00 H new ATOM 0 HG3 LYS A 811 9.716 10.665 -4.602 1.00 0.00 H new ATOM 0 HD2 LYS A 811 10.917 12.430 -5.778 1.00 0.00 H new ATOM 0 HD3 LYS A 811 9.358 12.194 -6.542 1.00 0.00 H new ATOM 0 HE2 LYS A 811 9.126 14.437 -6.317 1.00 0.00 H new ATOM 0 HE3 LYS A 811 8.710 14.072 -4.654 1.00 0.00 H new ATOM 0 HZ1 LYS A 811 10.413 15.768 -4.779 1.00 0.00 H new ATOM 0 HZ2 LYS A 811 11.036 14.375 -4.034 1.00 0.00 H new ATOM 0 HZ3 LYS A 811 11.439 14.729 -5.645 1.00 0.00 H new ATOM 1628 N CYS A 812 6.494 9.132 -5.278 1.00 0.00 N ATOM 1629 CA CYS A 812 5.482 8.481 -6.086 1.00 0.00 C ATOM 1630 C CYS A 812 4.552 7.685 -5.194 1.00 0.00 C ATOM 1631 O CYS A 812 3.403 7.437 -5.536 1.00 0.00 O ATOM 1632 CB CYS A 812 6.142 7.552 -7.098 1.00 0.00 C ATOM 1633 SG CYS A 812 6.747 8.379 -8.587 1.00 0.00 S ATOM 0 H CYS A 812 7.453 8.883 -5.519 1.00 0.00 H new ATOM 0 HA CYS A 812 4.910 9.240 -6.620 1.00 0.00 H new ATOM 0 HB2 CYS A 812 6.976 7.043 -6.615 1.00 0.00 H new ATOM 0 HB3 CYS A 812 5.425 6.784 -7.389 1.00 0.00 H new ATOM 0 HG CYS A 812 8.023 8.601 -8.472 1.00 0.00 H new ATOM 1639 N ALA A 813 5.062 7.292 -4.040 1.00 0.00 N ATOM 1640 CA ALA A 813 4.282 6.533 -3.086 1.00 0.00 C ATOM 1641 C ALA A 813 3.290 7.450 -2.394 1.00 0.00 C ATOM 1642 O ALA A 813 2.109 7.146 -2.315 1.00 0.00 O ATOM 1643 CB ALA A 813 5.197 5.850 -2.092 1.00 0.00 C ATOM 0 H ALA A 813 6.018 7.488 -3.743 1.00 0.00 H new ATOM 0 HA ALA A 813 3.721 5.757 -3.606 1.00 0.00 H new ATOM 0 HB1 ALA A 813 4.600 5.282 -1.379 1.00 0.00 H new ATOM 0 HB2 ALA A 813 5.870 5.175 -2.621 1.00 0.00 H new ATOM 0 HB3 ALA A 813 5.781 6.601 -1.560 1.00 0.00 H new ATOM 1649 N ASN A 814 3.789 8.575 -1.903 1.00 0.00 N ATOM 1650 CA ASN A 814 2.971 9.574 -1.249 1.00 0.00 C ATOM 1651 C ASN A 814 1.954 10.142 -2.238 1.00 0.00 C ATOM 1652 O ASN A 814 0.780 10.340 -1.920 1.00 0.00 O ATOM 1653 CB ASN A 814 3.886 10.685 -0.768 1.00 0.00 C ATOM 1654 CG ASN A 814 3.230 11.602 0.248 1.00 0.00 C ATOM 1655 OD1 ASN A 814 3.534 12.794 0.311 1.00 0.00 O ATOM 1656 ND2 ASN A 814 2.328 11.051 1.053 1.00 0.00 N ATOM 0 H ASN A 814 4.779 8.817 -1.950 1.00 0.00 H new ATOM 0 HA ASN A 814 2.433 9.131 -0.411 1.00 0.00 H new ATOM 0 HB2 ASN A 814 4.780 10.245 -0.327 1.00 0.00 H new ATOM 0 HB3 ASN A 814 4.211 11.276 -1.624 1.00 0.00 H new ATOM 0 HD21 ASN A 814 1.858 11.620 1.757 1.00 0.00 H new ATOM 0 HD22 ASN A 814 2.106 10.059 0.967 1.00 0.00 H new ATOM 1663 N ILE A 815 2.441 10.378 -3.450 1.00 0.00 N ATOM 1664 CA ILE A 815 1.646 10.921 -4.540 1.00 0.00 C ATOM 1665 C ILE A 815 0.533 9.967 -4.891 1.00 0.00 C ATOM 1666 O ILE A 815 -0.644 10.312 -4.843 1.00 0.00 O ATOM 1667 CB ILE A 815 2.524 11.164 -5.774 1.00 0.00 C ATOM 1668 CG1 ILE A 815 3.224 12.503 -5.647 1.00 0.00 C ATOM 1669 CG2 ILE A 815 1.710 11.100 -7.050 1.00 0.00 C ATOM 1670 CD1 ILE A 815 4.605 12.496 -6.219 1.00 0.00 C ATOM 0 H ILE A 815 3.412 10.195 -3.705 1.00 0.00 H new ATOM 0 HA ILE A 815 1.220 11.871 -4.218 1.00 0.00 H new ATOM 0 HB ILE A 815 3.274 10.375 -5.827 1.00 0.00 H new ATOM 0 HG12 ILE A 815 2.631 13.266 -6.152 1.00 0.00 H new ATOM 0 HG13 ILE A 815 3.274 12.782 -4.595 1.00 0.00 H new ATOM 0 HG21 ILE A 815 2.361 11.276 -7.906 1.00 0.00 H new ATOM 0 HG22 ILE A 815 1.251 10.115 -7.140 1.00 0.00 H new ATOM 0 HG23 ILE A 815 0.931 11.862 -7.023 1.00 0.00 H new ATOM 0 HD11 ILE A 815 5.054 13.482 -6.098 1.00 0.00 H new ATOM 0 HD12 ILE A 815 5.211 11.755 -5.698 1.00 0.00 H new ATOM 0 HD13 ILE A 815 4.559 12.246 -7.279 1.00 0.00 H new ATOM 1682 N LEU A 816 0.928 8.770 -5.278 1.00 0.00 N ATOM 1683 CA LEU A 816 -0.018 7.732 -5.596 1.00 0.00 C ATOM 1684 C LEU A 816 -0.993 7.619 -4.449 1.00 0.00 C ATOM 1685 O LEU A 816 -2.195 7.731 -4.625 1.00 0.00 O ATOM 1686 CB LEU A 816 0.713 6.414 -5.784 1.00 0.00 C ATOM 1687 CG LEU A 816 0.049 5.429 -6.712 1.00 0.00 C ATOM 1688 CD1 LEU A 816 0.845 4.165 -6.759 1.00 0.00 C ATOM 1689 CD2 LEU A 816 -1.350 5.183 -6.264 1.00 0.00 C ATOM 0 H LEU A 816 1.905 8.496 -5.379 1.00 0.00 H new ATOM 0 HA LEU A 816 -0.548 7.971 -6.518 1.00 0.00 H new ATOM 0 HB2 LEU A 816 1.714 6.624 -6.162 1.00 0.00 H new ATOM 0 HB3 LEU A 816 0.833 5.943 -4.808 1.00 0.00 H new ATOM 0 HG LEU A 816 0.010 5.837 -7.722 1.00 0.00 H new ATOM 0 HD11 LEU A 816 0.362 3.456 -7.431 1.00 0.00 H new ATOM 0 HD12 LEU A 816 1.850 4.381 -7.121 1.00 0.00 H new ATOM 0 HD13 LEU A 816 0.905 3.735 -5.759 1.00 0.00 H new ATOM 0 HD21 LEU A 816 -1.828 4.471 -6.937 1.00 0.00 H new ATOM 0 HD22 LEU A 816 -1.342 4.778 -5.252 1.00 0.00 H new ATOM 0 HD23 LEU A 816 -1.906 6.121 -6.275 1.00 0.00 H new ATOM 1701 N GLU A 817 -0.438 7.428 -3.270 1.00 0.00 N ATOM 1702 CA GLU A 817 -1.218 7.308 -2.054 1.00 0.00 C ATOM 1703 C GLU A 817 -2.282 8.410 -1.983 1.00 0.00 C ATOM 1704 O GLU A 817 -3.339 8.236 -1.395 1.00 0.00 O ATOM 1705 CB GLU A 817 -0.282 7.417 -0.856 1.00 0.00 C ATOM 1706 CG GLU A 817 -0.919 6.982 0.450 1.00 0.00 C ATOM 1707 CD GLU A 817 0.074 6.910 1.593 1.00 0.00 C ATOM 1708 OE1 GLU A 817 0.296 7.949 2.252 1.00 0.00 O ATOM 1709 OE2 GLU A 817 0.628 5.817 1.833 1.00 0.00 O ATOM 0 H GLU A 817 0.569 7.351 -3.127 1.00 0.00 H new ATOM 0 HA GLU A 817 -1.725 6.343 -2.047 1.00 0.00 H new ATOM 0 HB2 GLU A 817 0.603 6.808 -1.040 1.00 0.00 H new ATOM 0 HB3 GLU A 817 0.055 8.449 -0.761 1.00 0.00 H new ATOM 0 HG2 GLU A 817 -1.716 7.679 0.710 1.00 0.00 H new ATOM 0 HG3 GLU A 817 -1.382 6.005 0.315 1.00 0.00 H new ATOM 1716 N LYS A 818 -1.975 9.553 -2.567 1.00 0.00 N ATOM 1717 CA LYS A 818 -2.870 10.677 -2.603 1.00 0.00 C ATOM 1718 C LYS A 818 -3.946 10.490 -3.686 1.00 0.00 C ATOM 1719 O LYS A 818 -5.141 10.592 -3.399 1.00 0.00 O ATOM 1720 CB LYS A 818 -1.989 11.868 -2.813 1.00 0.00 C ATOM 1721 CG LYS A 818 -2.446 12.777 -3.882 1.00 0.00 C ATOM 1722 CD LYS A 818 -1.274 13.530 -4.474 1.00 0.00 C ATOM 1723 CE LYS A 818 -1.302 13.476 -5.987 1.00 0.00 C ATOM 1724 NZ LYS A 818 -2.517 14.131 -6.547 1.00 0.00 N ATOM 0 H LYS A 818 -1.084 9.722 -3.034 1.00 0.00 H new ATOM 0 HA LYS A 818 -3.444 10.798 -1.684 1.00 0.00 H new ATOM 0 HB2 LYS A 818 -1.924 12.427 -1.879 1.00 0.00 H new ATOM 0 HB3 LYS A 818 -0.982 11.524 -3.050 1.00 0.00 H new ATOM 0 HG2 LYS A 818 -2.951 12.206 -4.662 1.00 0.00 H new ATOM 0 HG3 LYS A 818 -3.174 13.482 -3.481 1.00 0.00 H new ATOM 0 HD2 LYS A 818 -1.300 14.568 -4.143 1.00 0.00 H new ATOM 0 HD3 LYS A 818 -0.340 13.102 -4.109 1.00 0.00 H new ATOM 0 HE2 LYS A 818 -0.412 13.964 -6.384 1.00 0.00 H new ATOM 0 HE3 LYS A 818 -1.268 12.437 -6.313 1.00 0.00 H new ATOM 0 HZ1 LYS A 818 -2.456 14.147 -7.585 1.00 0.00 H new ATOM 0 HZ2 LYS A 818 -3.363 13.599 -6.258 1.00 0.00 H new ATOM 0 HZ3 LYS A 818 -2.582 15.105 -6.189 1.00 0.00 H new ATOM 1738 N PHE A 819 -3.527 10.217 -4.925 1.00 0.00 N ATOM 1739 CA PHE A 819 -4.479 9.967 -6.006 1.00 0.00 C ATOM 1740 C PHE A 819 -5.353 8.813 -5.573 1.00 0.00 C ATOM 1741 O PHE A 819 -6.579 8.909 -5.525 1.00 0.00 O ATOM 1742 CB PHE A 819 -3.729 9.609 -7.294 1.00 0.00 C ATOM 1743 CG PHE A 819 -4.549 8.881 -8.341 1.00 0.00 C ATOM 1744 CD1 PHE A 819 -4.924 7.552 -8.161 1.00 0.00 C ATOM 1745 CD2 PHE A 819 -4.918 9.514 -9.516 1.00 0.00 C ATOM 1746 CE1 PHE A 819 -5.642 6.878 -9.109 1.00 0.00 C ATOM 1747 CE2 PHE A 819 -5.648 8.841 -10.480 1.00 0.00 C ATOM 1748 CZ PHE A 819 -6.011 7.520 -10.277 1.00 0.00 C ATOM 0 H PHE A 819 -2.546 10.164 -5.201 1.00 0.00 H new ATOM 0 HA PHE A 819 -5.082 10.853 -6.205 1.00 0.00 H new ATOM 0 HB2 PHE A 819 -3.340 10.527 -7.735 1.00 0.00 H new ATOM 0 HB3 PHE A 819 -2.870 8.990 -7.035 1.00 0.00 H new ATOM 0 HD1 PHE A 819 -4.641 7.042 -7.252 1.00 0.00 H new ATOM 0 HD2 PHE A 819 -4.633 10.543 -9.682 1.00 0.00 H new ATOM 0 HE1 PHE A 819 -5.920 5.847 -8.946 1.00 0.00 H new ATOM 0 HE2 PHE A 819 -5.935 9.346 -11.391 1.00 0.00 H new ATOM 0 HZ PHE A 819 -6.580 6.993 -11.028 1.00 0.00 H new ATOM 1758 N PHE A 820 -4.678 7.705 -5.296 1.00 0.00 N ATOM 1759 CA PHE A 820 -5.307 6.507 -4.798 1.00 0.00 C ATOM 1760 C PHE A 820 -6.310 6.894 -3.742 1.00 0.00 C ATOM 1761 O PHE A 820 -7.441 6.447 -3.797 1.00 0.00 O ATOM 1762 CB PHE A 820 -4.222 5.563 -4.290 1.00 0.00 C ATOM 1763 CG PHE A 820 -4.467 4.890 -2.989 1.00 0.00 C ATOM 1764 CD1 PHE A 820 -4.058 5.416 -1.788 1.00 0.00 C ATOM 1765 CD2 PHE A 820 -5.044 3.682 -3.001 1.00 0.00 C ATOM 1766 CE1 PHE A 820 -4.256 4.712 -0.616 1.00 0.00 C ATOM 1767 CE2 PHE A 820 -5.234 2.968 -1.868 1.00 0.00 C ATOM 1768 CZ PHE A 820 -4.850 3.472 -0.663 1.00 0.00 C ATOM 0 H PHE A 820 -3.668 7.620 -5.415 1.00 0.00 H new ATOM 0 HA PHE A 820 -5.853 5.976 -5.578 1.00 0.00 H new ATOM 0 HB2 PHE A 820 -4.063 4.793 -5.045 1.00 0.00 H new ATOM 0 HB3 PHE A 820 -3.293 6.127 -4.210 1.00 0.00 H new ATOM 0 HD1 PHE A 820 -3.580 6.384 -1.760 1.00 0.00 H new ATOM 0 HD2 PHE A 820 -5.367 3.265 -3.943 1.00 0.00 H new ATOM 0 HE1 PHE A 820 -3.947 5.132 0.330 1.00 0.00 H new ATOM 0 HE2 PHE A 820 -5.693 1.992 -1.920 1.00 0.00 H new ATOM 0 HZ PHE A 820 -5.009 2.906 0.243 1.00 0.00 H new ATOM 1778 N PHE A 821 -5.916 7.796 -2.836 1.00 0.00 N ATOM 1779 CA PHE A 821 -6.822 8.241 -1.786 1.00 0.00 C ATOM 1780 C PHE A 821 -8.112 8.805 -2.344 1.00 0.00 C ATOM 1781 O PHE A 821 -9.177 8.590 -1.778 1.00 0.00 O ATOM 1782 CB PHE A 821 -6.145 9.217 -0.834 1.00 0.00 C ATOM 1783 CG PHE A 821 -5.959 8.582 0.504 1.00 0.00 C ATOM 1784 CD1 PHE A 821 -5.200 7.449 0.577 1.00 0.00 C ATOM 1785 CD2 PHE A 821 -6.586 9.048 1.647 1.00 0.00 C ATOM 1786 CE1 PHE A 821 -5.042 6.761 1.754 1.00 0.00 C ATOM 1787 CE2 PHE A 821 -6.427 8.379 2.851 1.00 0.00 C ATOM 1788 CZ PHE A 821 -5.654 7.227 2.903 1.00 0.00 C ATOM 0 H PHE A 821 -4.990 8.223 -2.812 1.00 0.00 H new ATOM 0 HA PHE A 821 -7.090 7.357 -1.207 1.00 0.00 H new ATOM 0 HB2 PHE A 821 -5.180 9.521 -1.238 1.00 0.00 H new ATOM 0 HB3 PHE A 821 -6.748 10.120 -0.736 1.00 0.00 H new ATOM 0 HD1 PHE A 821 -4.711 7.085 -0.315 1.00 0.00 H new ATOM 0 HD2 PHE A 821 -7.201 9.935 1.601 1.00 0.00 H new ATOM 0 HE1 PHE A 821 -4.444 5.862 1.783 1.00 0.00 H new ATOM 0 HE2 PHE A 821 -6.903 8.753 3.745 1.00 0.00 H new ATOM 0 HZ PHE A 821 -5.531 6.697 3.836 1.00 0.00 H new ATOM 1798 N SER A 822 -8.029 9.513 -3.455 1.00 0.00 N ATOM 1799 CA SER A 822 -9.224 10.064 -4.073 1.00 0.00 C ATOM 1800 C SER A 822 -10.036 8.954 -4.743 1.00 0.00 C ATOM 1801 O SER A 822 -11.238 9.084 -4.936 1.00 0.00 O ATOM 1802 CB SER A 822 -8.852 11.137 -5.099 1.00 0.00 C ATOM 1803 OG SER A 822 -10.009 11.690 -5.700 1.00 0.00 O ATOM 0 H SER A 822 -7.158 9.719 -3.945 1.00 0.00 H new ATOM 0 HA SER A 822 -9.833 10.524 -3.294 1.00 0.00 H new ATOM 0 HB2 SER A 822 -8.278 11.926 -4.613 1.00 0.00 H new ATOM 0 HB3 SER A 822 -8.211 10.704 -5.867 1.00 0.00 H new ATOM 0 HG SER A 822 -9.745 12.374 -6.350 1.00 0.00 H new ATOM 1809 N LYS A 823 -9.355 7.858 -5.073 1.00 0.00 N ATOM 1810 CA LYS A 823 -9.964 6.699 -5.739 1.00 0.00 C ATOM 1811 C LYS A 823 -10.682 5.778 -4.767 1.00 0.00 C ATOM 1812 O LYS A 823 -11.749 5.242 -5.064 1.00 0.00 O ATOM 1813 CB LYS A 823 -8.854 5.931 -6.453 1.00 0.00 C ATOM 1814 CG LYS A 823 -8.932 5.911 -7.969 1.00 0.00 C ATOM 1815 CD LYS A 823 -9.826 7.005 -8.510 1.00 0.00 C ATOM 1816 CE LYS A 823 -9.332 7.541 -9.831 1.00 0.00 C ATOM 1817 NZ LYS A 823 -10.415 8.210 -10.603 1.00 0.00 N ATOM 0 H LYS A 823 -8.359 7.745 -4.886 1.00 0.00 H new ATOM 0 HA LYS A 823 -10.716 7.059 -6.442 1.00 0.00 H new ATOM 0 HB2 LYS A 823 -7.896 6.362 -6.163 1.00 0.00 H new ATOM 0 HB3 LYS A 823 -8.862 4.902 -6.094 1.00 0.00 H new ATOM 0 HG2 LYS A 823 -7.931 6.024 -8.384 1.00 0.00 H new ATOM 0 HG3 LYS A 823 -9.306 4.942 -8.299 1.00 0.00 H new ATOM 0 HD2 LYS A 823 -10.838 6.618 -8.632 1.00 0.00 H new ATOM 0 HD3 LYS A 823 -9.881 7.819 -7.787 1.00 0.00 H new ATOM 0 HE2 LYS A 823 -8.522 8.249 -9.655 1.00 0.00 H new ATOM 0 HE3 LYS A 823 -8.918 6.724 -10.422 1.00 0.00 H new ATOM 0 HZ1 LYS A 823 -10.003 8.941 -11.217 1.00 0.00 H new ATOM 0 HZ2 LYS A 823 -10.911 7.506 -11.187 1.00 0.00 H new ATOM 0 HZ3 LYS A 823 -11.089 8.651 -9.945 1.00 0.00 H new ATOM 1831 N ILE A 824 -10.095 5.607 -3.607 1.00 0.00 N ATOM 1832 CA ILE A 824 -10.667 4.764 -2.580 1.00 0.00 C ATOM 1833 C ILE A 824 -11.847 5.498 -1.999 1.00 0.00 C ATOM 1834 O ILE A 824 -12.944 4.969 -1.875 1.00 0.00 O ATOM 1835 CB ILE A 824 -9.657 4.499 -1.477 1.00 0.00 C ATOM 1836 CG1 ILE A 824 -8.632 5.572 -1.488 1.00 0.00 C ATOM 1837 CG2 ILE A 824 -9.000 3.157 -1.663 1.00 0.00 C ATOM 1838 CD1 ILE A 824 -7.442 5.278 -0.654 1.00 0.00 C ATOM 0 H ILE A 824 -9.211 6.045 -3.347 1.00 0.00 H new ATOM 0 HA ILE A 824 -10.963 3.807 -3.010 1.00 0.00 H new ATOM 0 HB ILE A 824 -10.174 4.492 -0.518 1.00 0.00 H new ATOM 0 HG12 ILE A 824 -8.310 5.742 -2.515 1.00 0.00 H new ATOM 0 HG13 ILE A 824 -9.087 6.499 -1.139 1.00 0.00 H new ATOM 0 HG21 ILE A 824 -8.281 2.990 -0.861 1.00 0.00 H new ATOM 0 HG22 ILE A 824 -9.758 2.374 -1.640 1.00 0.00 H new ATOM 0 HG23 ILE A 824 -8.485 3.134 -2.623 1.00 0.00 H new ATOM 0 HD11 ILE A 824 -6.740 6.110 -0.715 1.00 0.00 H new ATOM 0 HD12 ILE A 824 -7.750 5.138 0.382 1.00 0.00 H new ATOM 0 HD13 ILE A 824 -6.960 4.370 -1.015 1.00 0.00 H new ATOM 1850 N LYS A 825 -11.593 6.762 -1.698 1.00 0.00 N ATOM 1851 CA LYS A 825 -12.595 7.644 -1.144 1.00 0.00 C ATOM 1852 C LYS A 825 -13.824 7.604 -2.017 1.00 0.00 C ATOM 1853 O LYS A 825 -14.949 7.391 -1.561 1.00 0.00 O ATOM 1854 CB LYS A 825 -12.086 9.073 -1.123 1.00 0.00 C ATOM 1855 CG LYS A 825 -12.040 9.668 0.264 1.00 0.00 C ATOM 1856 CD LYS A 825 -11.498 11.074 0.247 1.00 0.00 C ATOM 1857 CE LYS A 825 -10.002 11.064 0.018 1.00 0.00 C ATOM 1858 NZ LYS A 825 -9.564 12.182 -0.862 1.00 0.00 N ATOM 0 H LYS A 825 -10.682 7.201 -1.833 1.00 0.00 H new ATOM 0 HA LYS A 825 -12.824 7.318 -0.129 1.00 0.00 H new ATOM 0 HB2 LYS A 825 -11.087 9.102 -1.557 1.00 0.00 H new ATOM 0 HB3 LYS A 825 -12.726 9.689 -1.755 1.00 0.00 H new ATOM 0 HG2 LYS A 825 -13.042 9.669 0.694 1.00 0.00 H new ATOM 0 HG3 LYS A 825 -11.418 9.045 0.907 1.00 0.00 H new ATOM 0 HD2 LYS A 825 -11.988 11.649 -0.539 1.00 0.00 H new ATOM 0 HD3 LYS A 825 -11.724 11.568 1.192 1.00 0.00 H new ATOM 0 HE2 LYS A 825 -9.488 11.135 0.977 1.00 0.00 H new ATOM 0 HE3 LYS A 825 -9.710 10.114 -0.430 1.00 0.00 H new ATOM 0 HZ1 LYS A 825 -8.533 12.138 -0.993 1.00 0.00 H new ATOM 0 HZ2 LYS A 825 -10.034 12.101 -1.786 1.00 0.00 H new ATOM 0 HZ3 LYS A 825 -9.819 13.090 -0.423 1.00 0.00 H new ATOM 1872 N GLU A 826 -13.560 7.822 -3.295 1.00 0.00 N ATOM 1873 CA GLU A 826 -14.583 7.836 -4.320 1.00 0.00 C ATOM 1874 C GLU A 826 -15.341 6.529 -4.328 1.00 0.00 C ATOM 1875 O GLU A 826 -16.551 6.492 -4.552 1.00 0.00 O ATOM 1876 CB GLU A 826 -13.924 8.066 -5.691 1.00 0.00 C ATOM 1877 CG GLU A 826 -13.785 6.810 -6.537 1.00 0.00 C ATOM 1878 CD GLU A 826 -15.052 6.462 -7.297 1.00 0.00 C ATOM 1879 OE1 GLU A 826 -15.414 7.217 -8.224 1.00 0.00 O ATOM 1880 OE2 GLU A 826 -15.678 5.432 -6.969 1.00 0.00 O ATOM 0 H GLU A 826 -12.620 7.996 -3.650 1.00 0.00 H new ATOM 0 HA GLU A 826 -15.286 8.642 -4.110 1.00 0.00 H new ATOM 0 HB2 GLU A 826 -14.510 8.800 -6.244 1.00 0.00 H new ATOM 0 HB3 GLU A 826 -12.935 8.498 -5.538 1.00 0.00 H new ATOM 0 HG2 GLU A 826 -12.968 6.945 -7.246 1.00 0.00 H new ATOM 0 HG3 GLU A 826 -13.513 5.974 -5.893 1.00 0.00 H new ATOM 1887 N ALA A 827 -14.612 5.459 -4.080 1.00 0.00 N ATOM 1888 CA ALA A 827 -15.189 4.138 -4.105 1.00 0.00 C ATOM 1889 C ALA A 827 -15.649 3.644 -2.737 1.00 0.00 C ATOM 1890 O ALA A 827 -15.773 2.448 -2.541 1.00 0.00 O ATOM 1891 CB ALA A 827 -14.185 3.184 -4.707 1.00 0.00 C ATOM 0 H ALA A 827 -13.617 5.483 -3.859 1.00 0.00 H new ATOM 0 HA ALA A 827 -16.092 4.184 -4.714 1.00 0.00 H new ATOM 0 HB1 ALA A 827 -14.608 2.180 -4.733 1.00 0.00 H new ATOM 0 HB2 ALA A 827 -13.944 3.502 -5.721 1.00 0.00 H new ATOM 0 HB3 ALA A 827 -13.278 3.181 -4.102 1.00 0.00 H new ATOM 1897 N GLY A 828 -15.908 4.553 -1.800 1.00 0.00 N ATOM 1898 CA GLY A 828 -16.368 4.141 -0.474 1.00 0.00 C ATOM 1899 C GLY A 828 -15.368 3.259 0.249 1.00 0.00 C ATOM 1900 O GLY A 828 -15.727 2.509 1.156 1.00 0.00 O ATOM 0 H GLY A 828 -15.810 5.560 -1.928 1.00 0.00 H new ATOM 0 HA2 GLY A 828 -16.565 5.028 0.128 1.00 0.00 H new ATOM 0 HA3 GLY A 828 -17.313 3.606 -0.572 1.00 0.00 H new ATOM 1904 N LEU A 829 -14.114 3.371 -0.139 1.00 0.00 N ATOM 1905 CA LEU A 829 -13.045 2.568 0.431 1.00 0.00 C ATOM 1906 C LEU A 829 -12.621 3.092 1.793 1.00 0.00 C ATOM 1907 O LEU A 829 -13.233 2.747 2.803 1.00 0.00 O ATOM 1908 CB LEU A 829 -11.896 2.554 -0.564 1.00 0.00 C ATOM 1909 CG LEU A 829 -12.285 1.975 -1.930 1.00 0.00 C ATOM 1910 CD1 LEU A 829 -11.146 1.274 -2.597 1.00 0.00 C ATOM 1911 CD2 LEU A 829 -13.455 1.011 -1.822 1.00 0.00 C ATOM 0 H LEU A 829 -13.804 4.022 -0.860 1.00 0.00 H new ATOM 0 HA LEU A 829 -13.389 1.548 0.604 1.00 0.00 H new ATOM 0 HB2 LEU A 829 -11.529 3.571 -0.699 1.00 0.00 H new ATOM 0 HB3 LEU A 829 -11.073 1.971 -0.151 1.00 0.00 H new ATOM 0 HG LEU A 829 -12.575 2.832 -2.538 1.00 0.00 H new ATOM 0 HD11 LEU A 829 -11.474 0.883 -3.560 1.00 0.00 H new ATOM 0 HD12 LEU A 829 -10.326 1.976 -2.750 1.00 0.00 H new ATOM 0 HD13 LEU A 829 -10.806 0.451 -1.968 1.00 0.00 H new ATOM 0 HD21 LEU A 829 -13.699 0.623 -2.811 1.00 0.00 H new ATOM 0 HD22 LEU A 829 -13.186 0.184 -1.164 1.00 0.00 H new ATOM 0 HD23 LEU A 829 -14.320 1.533 -1.413 1.00 0.00 H new ATOM 1923 N ILE A 830 -11.570 3.910 1.811 1.00 0.00 N ATOM 1924 CA ILE A 830 -11.066 4.514 3.031 1.00 0.00 C ATOM 1925 C ILE A 830 -12.083 4.512 4.156 1.00 0.00 C ATOM 1926 O ILE A 830 -13.176 5.064 4.028 1.00 0.00 O ATOM 1927 CB ILE A 830 -10.642 5.943 2.755 1.00 0.00 C ATOM 1928 CG1 ILE A 830 -10.604 6.145 1.261 1.00 0.00 C ATOM 1929 CG2 ILE A 830 -9.272 6.203 3.329 1.00 0.00 C ATOM 1930 CD1 ILE A 830 -9.784 7.314 0.839 1.00 0.00 C ATOM 0 H ILE A 830 -11.047 4.170 0.975 1.00 0.00 H new ATOM 0 HA ILE A 830 -10.218 3.910 3.354 1.00 0.00 H new ATOM 0 HB ILE A 830 -11.349 6.631 3.218 1.00 0.00 H new ATOM 0 HG12 ILE A 830 -10.208 5.245 0.791 1.00 0.00 H new ATOM 0 HG13 ILE A 830 -11.622 6.274 0.894 1.00 0.00 H new ATOM 0 HG21 ILE A 830 -8.981 7.233 3.123 1.00 0.00 H new ATOM 0 HG22 ILE A 830 -9.292 6.040 4.407 1.00 0.00 H new ATOM 0 HG23 ILE A 830 -8.552 5.524 2.873 1.00 0.00 H new ATOM 0 HD11 ILE A 830 -9.802 7.398 -0.248 1.00 0.00 H new ATOM 0 HD12 ILE A 830 -10.193 8.223 1.280 1.00 0.00 H new ATOM 0 HD13 ILE A 830 -8.756 7.178 1.175 1.00 0.00 H new ATOM 1942 N ASP A 831 -11.709 3.892 5.260 1.00 0.00 N ATOM 1943 CA ASP A 831 -12.589 3.804 6.413 1.00 0.00 C ATOM 1944 C ASP A 831 -11.789 3.624 7.700 1.00 0.00 C ATOM 1945 O ASP A 831 -12.146 4.170 8.744 1.00 0.00 O ATOM 1946 CB ASP A 831 -13.570 2.642 6.243 1.00 0.00 C ATOM 1947 CG ASP A 831 -14.463 2.455 7.454 1.00 0.00 C ATOM 1948 OD1 ASP A 831 -15.521 3.114 7.520 1.00 0.00 O ATOM 1949 OD2 ASP A 831 -14.102 1.649 8.338 1.00 0.00 O ATOM 0 H ASP A 831 -10.802 3.442 5.384 1.00 0.00 H new ATOM 0 HA ASP A 831 -13.148 4.737 6.483 1.00 0.00 H new ATOM 0 HB2 ASP A 831 -14.189 2.819 5.363 1.00 0.00 H new ATOM 0 HB3 ASP A 831 -13.012 1.723 6.061 1.00 0.00 H new ATOM 1954 N LYS A 832 -10.708 2.853 7.612 1.00 0.00 N ATOM 1955 CA LYS A 832 -9.849 2.590 8.763 1.00 0.00 C ATOM 1956 C LYS A 832 -9.465 3.887 9.476 1.00 0.00 C ATOM 1957 O LYS A 832 -8.632 4.642 8.933 1.00 0.00 O ATOM 1958 CB LYS A 832 -8.594 1.828 8.323 1.00 0.00 C ATOM 1959 CG LYS A 832 -7.828 2.499 7.193 1.00 0.00 C ATOM 1960 CD LYS A 832 -6.429 2.900 7.633 1.00 0.00 C ATOM 1961 CE LYS A 832 -5.655 3.552 6.498 1.00 0.00 C ATOM 1962 NZ LYS A 832 -6.308 4.803 6.024 1.00 0.00 N ATOM 1963 OXT LYS A 832 -10.006 4.136 10.574 1.00 0.00 O ATOM 0 H LYS A 832 -10.405 2.398 6.751 1.00 0.00 H new ATOM 0 HA LYS A 832 -10.407 1.975 9.469 1.00 0.00 H new ATOM 0 HB2 LYS A 832 -7.931 1.714 9.181 1.00 0.00 H new ATOM 0 HB3 LYS A 832 -8.882 0.825 8.008 1.00 0.00 H new ATOM 0 HG2 LYS A 832 -7.763 1.821 6.342 1.00 0.00 H new ATOM 0 HG3 LYS A 832 -8.372 3.381 6.856 1.00 0.00 H new ATOM 0 HD2 LYS A 832 -6.495 3.590 8.474 1.00 0.00 H new ATOM 0 HD3 LYS A 832 -5.890 2.020 7.984 1.00 0.00 H new ATOM 0 HE2 LYS A 832 -4.642 3.776 6.832 1.00 0.00 H new ATOM 0 HE3 LYS A 832 -5.569 2.851 5.668 1.00 0.00 H new ATOM 0 HZ1 LYS A 832 -5.656 5.320 5.400 1.00 0.00 H new ATOM 0 HZ2 LYS A 832 -7.174 4.565 5.499 1.00 0.00 H new ATOM 0 HZ3 LYS A 832 -6.551 5.399 6.841 1.00 0.00 H new TER 1977 LYS A 832 ATOM 1978 N SER B 31 20.388 11.607 -10.422 1.00 0.00 N ATOM 1979 CA SER B 31 18.981 11.135 -10.506 1.00 0.00 C ATOM 1980 C SER B 31 18.906 9.757 -11.153 1.00 0.00 C ATOM 1981 O SER B 31 17.838 9.319 -11.584 1.00 0.00 O ATOM 1982 CB SER B 31 18.139 12.130 -11.307 1.00 0.00 C ATOM 1983 OG SER B 31 18.625 12.258 -12.633 1.00 0.00 O ATOM 0 HA SER B 31 18.587 11.062 -9.492 1.00 0.00 H new ATOM 0 HB2 SER B 31 17.101 11.799 -11.327 1.00 0.00 H new ATOM 0 HB3 SER B 31 18.154 13.103 -10.815 1.00 0.00 H new ATOM 0 HG SER B 31 19.586 12.066 -12.649 1.00 0.00 H new ATOM 1991 N THR B 32 20.046 9.076 -11.218 1.00 0.00 N ATOM 1992 CA THR B 32 20.111 7.746 -11.813 1.00 0.00 C ATOM 1993 C THR B 32 19.958 6.661 -10.751 1.00 0.00 C ATOM 1994 O THR B 32 20.468 6.792 -9.638 1.00 0.00 O ATOM 1995 CB THR B 32 21.441 7.533 -12.562 1.00 0.00 C ATOM 1996 OG1 THR B 32 21.633 8.577 -13.526 1.00 0.00 O ATOM 1997 CG2 THR B 32 21.459 6.183 -13.264 1.00 0.00 C ATOM 0 H THR B 32 20.938 9.424 -10.866 1.00 0.00 H new ATOM 0 HA THR B 32 19.287 7.674 -12.522 1.00 0.00 H new ATOM 0 HB THR B 32 22.250 7.557 -11.832 1.00 0.00 H new ATOM 0 HG1 THR B 32 22.481 8.436 -13.997 1.00 0.00 H new ATOM 0 HG21 THR B 32 22.408 6.057 -13.785 1.00 0.00 H new ATOM 0 HG22 THR B 32 21.341 5.388 -12.527 1.00 0.00 H new ATOM 0 HG23 THR B 32 20.641 6.136 -13.983 1.00 0.00 H new ATOM 2005 N GLY B 33 19.253 5.591 -11.103 1.00 0.00 N ATOM 2006 CA GLY B 33 19.044 4.498 -10.171 1.00 0.00 C ATOM 2007 C GLY B 33 18.538 3.242 -10.854 1.00 0.00 C ATOM 2008 O GLY B 33 17.710 3.314 -11.762 1.00 0.00 O ATOM 0 H GLY B 33 18.822 5.461 -12.018 1.00 0.00 H new ATOM 0 HA2 GLY B 33 19.981 4.277 -9.659 1.00 0.00 H new ATOM 0 HA3 GLY B 33 18.329 4.807 -9.409 1.00 0.00 H new ATOM 2012 N GLY B 34 19.041 2.091 -10.418 1.00 0.00 N ATOM 2013 CA GLY B 34 18.625 0.829 -11.003 1.00 0.00 C ATOM 2014 C GLY B 34 17.214 0.440 -10.605 1.00 0.00 C ATOM 2015 O GLY B 34 17.022 -0.379 -9.706 1.00 0.00 O ATOM 0 H GLY B 34 19.729 2.010 -9.670 1.00 0.00 H new ATOM 0 HA2 GLY B 34 18.686 0.898 -12.089 1.00 0.00 H new ATOM 0 HA3 GLY B 34 19.315 0.044 -10.694 1.00 0.00 H new ATOM 2019 N VAL B 35 16.230 1.029 -11.281 1.00 0.00 N ATOM 2020 CA VAL B 35 14.821 0.754 -11.007 1.00 0.00 C ATOM 2021 C VAL B 35 14.438 1.160 -9.588 1.00 0.00 C ATOM 2022 O VAL B 35 13.858 2.225 -9.372 1.00 0.00 O ATOM 2023 CB VAL B 35 14.474 -0.733 -11.214 1.00 0.00 C ATOM 2024 CG1 VAL B 35 12.999 -0.979 -10.934 1.00 0.00 C ATOM 2025 CG2 VAL B 35 14.839 -1.175 -12.624 1.00 0.00 C ATOM 0 H VAL B 35 16.385 1.705 -12.029 1.00 0.00 H new ATOM 0 HA VAL B 35 14.251 1.351 -11.719 1.00 0.00 H new ATOM 0 HB VAL B 35 15.058 -1.327 -10.510 1.00 0.00 H new ATOM 0 HG11 VAL B 35 12.771 -2.034 -11.085 1.00 0.00 H new ATOM 0 HG12 VAL B 35 12.773 -0.703 -9.904 1.00 0.00 H new ATOM 0 HG13 VAL B 35 12.395 -0.377 -11.612 1.00 0.00 H new ATOM 0 HG21 VAL B 35 14.587 -2.228 -12.752 1.00 0.00 H new ATOM 0 HG22 VAL B 35 14.284 -0.578 -13.348 1.00 0.00 H new ATOM 0 HG23 VAL B 35 15.908 -1.036 -12.784 1.00 0.00 H new HETATM 2035 OH ALY B 36 10.395 0.722 -5.362 1.00 0.00 O HETATM 2036 CH ALY B 36 9.725 -0.198 -4.893 1.00 0.00 C HETATM 2037 CH3 ALY B 36 8.197 -0.172 -5.031 1.00 0.00 C HETATM 2038 NZ ALY B 36 10.290 -1.288 -4.395 1.00 0.00 N HETATM 2039 CE ALY B 36 11.710 -1.394 -4.069 1.00 0.00 C HETATM 2040 CD ALY B 36 12.583 -1.415 -5.314 1.00 0.00 C HETATM 2041 CG ALY B 36 13.860 -0.665 -5.096 1.00 0.00 C HETATM 2042 CB ALY B 36 14.664 -0.673 -6.359 1.00 0.00 C HETATM 2043 CA ALY B 36 14.444 0.575 -7.225 1.00 0.00 C HETATM 2044 N ALY B 36 14.762 0.305 -8.621 1.00 0.00 N HETATM 2045 C ALY B 36 15.305 1.696 -6.666 1.00 0.00 C HETATM 2046 O ALY B 36 15.263 1.965 -5.464 1.00 0.00 O HETATM 0 HH33 ALY B 36 7.803 0.720 -4.544 1.00 0.00 H new HETATM 0 HH32 ALY B 36 7.927 -0.158 -6.087 1.00 0.00 H new HETATM 0 HH31 ALY B 36 7.774 -1.060 -4.561 1.00 0.00 H new HETATM 0 HZ ALY B 36 9.698 -2.102 -4.229 1.00 0.00 H new HETATM 0 HG3 ALY B 36 14.429 -1.122 -4.287 1.00 0.00 H new HETATM 0 HG2 ALY B 36 13.645 0.360 -4.795 1.00 0.00 H new HETATM 0 HE3 ALY B 36 11.882 -2.302 -3.491 1.00 0.00 H new HETATM 0 HE2 ALY B 36 12.000 -0.554 -3.438 1.00 0.00 H new HETATM 0 HD3 ALY B 36 12.039 -0.975 -6.150 1.00 0.00 H new HETATM 0 HD2 ALY B 36 12.807 -2.446 -5.587 1.00 0.00 H new HETATM 0 HCA ALY B 36 13.395 0.870 -7.195 1.00 0.00 H new HETATM 0 HB3 ALY B 36 14.408 -1.559 -6.939 1.00 0.00 H new HETATM 0 HB2 ALY B 36 15.722 -0.751 -6.108 1.00 0.00 H new HETATM 0 H ALY B 36 15.083 -0.622 -8.901 1.00 0.00 H new ATOM 2061 N LYS B 37 16.070 2.362 -7.529 1.00 0.00 N ATOM 2062 CA LYS B 37 16.971 3.410 -7.071 1.00 0.00 C ATOM 2063 C LYS B 37 17.632 2.929 -5.786 1.00 0.00 C ATOM 2064 O LYS B 37 17.542 3.583 -4.746 1.00 0.00 O ATOM 2065 CB LYS B 37 16.229 4.727 -6.827 1.00 0.00 C ATOM 2066 CG LYS B 37 17.152 5.936 -6.859 1.00 0.00 C ATOM 2067 CD LYS B 37 16.379 7.233 -7.007 1.00 0.00 C ATOM 2068 CE LYS B 37 17.302 8.439 -6.961 1.00 0.00 C ATOM 2069 NZ LYS B 37 18.280 8.435 -8.084 1.00 0.00 N ATOM 0 H LYS B 37 16.083 2.196 -8.535 1.00 0.00 H new ATOM 0 HA LYS B 37 17.718 3.606 -7.840 1.00 0.00 H new ATOM 0 HB2 LYS B 37 15.453 4.847 -7.583 1.00 0.00 H new ATOM 0 HB3 LYS B 37 15.728 4.683 -5.860 1.00 0.00 H new ATOM 0 HG2 LYS B 37 17.742 5.967 -5.943 1.00 0.00 H new ATOM 0 HG3 LYS B 37 17.854 5.835 -7.687 1.00 0.00 H new ATOM 0 HD2 LYS B 37 15.833 7.227 -7.950 1.00 0.00 H new ATOM 0 HD3 LYS B 37 15.639 7.309 -6.211 1.00 0.00 H new ATOM 0 HE2 LYS B 37 16.708 9.352 -7.001 1.00 0.00 H new ATOM 0 HE3 LYS B 37 17.839 8.449 -6.012 1.00 0.00 H new ATOM 0 HZ1 LYS B 37 18.775 9.349 -8.117 1.00 0.00 H new ATOM 0 HZ2 LYS B 37 18.972 7.672 -7.939 1.00 0.00 H new ATOM 0 HZ3 LYS B 37 17.777 8.281 -8.981 1.00 0.00 H new ATOM 2083 N PRO B 38 18.302 1.758 -5.861 1.00 0.00 N ATOM 2084 CA PRO B 38 18.948 1.104 -4.741 1.00 0.00 C ATOM 2085 C PRO B 38 19.276 2.019 -3.569 1.00 0.00 C ATOM 2086 O PRO B 38 20.034 2.979 -3.704 1.00 0.00 O ATOM 2087 CB PRO B 38 20.215 0.588 -5.410 1.00 0.00 C ATOM 2088 CG PRO B 38 19.738 0.114 -6.740 1.00 0.00 C ATOM 2089 CD PRO B 38 18.545 0.976 -7.093 1.00 0.00 C ATOM 0 HA PRO B 38 18.313 0.351 -4.274 1.00 0.00 H new ATOM 0 HB2 PRO B 38 20.965 1.373 -5.509 1.00 0.00 H new ATOM 0 HB3 PRO B 38 20.672 -0.219 -4.837 1.00 0.00 H new ATOM 0 HG2 PRO B 38 20.522 0.209 -7.491 1.00 0.00 H new ATOM 0 HG3 PRO B 38 19.459 -0.939 -6.701 1.00 0.00 H new ATOM 0 HD2 PRO B 38 18.757 1.624 -7.944 1.00 0.00 H new ATOM 0 HD3 PRO B 38 17.679 0.371 -7.361 1.00 0.00 H new ATOM 2097 N HIS B 39 18.692 1.703 -2.418 1.00 0.00 N ATOM 2098 CA HIS B 39 18.918 2.473 -1.205 1.00 0.00 C ATOM 2099 C HIS B 39 19.390 1.557 -0.079 1.00 0.00 C ATOM 2100 O HIS B 39 19.564 0.355 -0.278 1.00 0.00 O ATOM 2101 CB HIS B 39 17.642 3.202 -0.779 1.00 0.00 C ATOM 2102 CG HIS B 39 17.926 4.469 -0.029 1.00 0.00 C ATOM 2103 ND1 HIS B 39 17.965 4.534 1.349 1.00 0.00 N ATOM 2104 CD2 HIS B 39 18.211 5.718 -0.468 1.00 0.00 C ATOM 2105 CE1 HIS B 39 18.260 5.766 1.723 1.00 0.00 C ATOM 2106 NE2 HIS B 39 18.416 6.503 0.640 1.00 0.00 N ATOM 0 H HIS B 39 18.056 0.914 -2.302 1.00 0.00 H new ATOM 0 HA HIS B 39 19.690 3.214 -1.412 1.00 0.00 H new ATOM 0 HB2 HIS B 39 17.047 3.433 -1.663 1.00 0.00 H new ATOM 0 HB3 HIS B 39 17.041 2.541 -0.154 1.00 0.00 H new ATOM 0 HD2 HIS B 39 18.267 6.037 -1.498 1.00 0.00 H new ATOM 0 HE1 HIS B 39 18.357 6.111 2.742 1.00 0.00 H new ATOM 0 HE2 HIS B 39 18.651 7.496 0.628 1.00 0.00 H new ATOM 2115 N ARG B 40 19.594 2.131 1.103 1.00 0.00 N ATOM 2116 CA ARG B 40 20.041 1.363 2.259 1.00 0.00 C ATOM 2117 C ARG B 40 19.105 1.577 3.446 1.00 0.00 C ATOM 2118 O ARG B 40 19.189 2.592 4.139 1.00 0.00 O ATOM 2119 CB ARG B 40 21.468 1.761 2.641 1.00 0.00 C ATOM 2120 CG ARG B 40 22.037 0.958 3.798 1.00 0.00 C ATOM 2121 CD ARG B 40 23.454 1.388 4.131 1.00 0.00 C ATOM 2122 NE ARG B 40 24.344 1.281 2.978 1.00 0.00 N ATOM 2123 CZ ARG B 40 25.640 0.997 3.070 1.00 0.00 C ATOM 2124 NH1 ARG B 40 26.192 0.783 4.256 1.00 0.00 N ATOM 2125 NH2 ARG B 40 26.383 0.925 1.974 1.00 0.00 N ATOM 0 H ARG B 40 19.457 3.125 1.285 1.00 0.00 H new ATOM 0 HA ARG B 40 20.026 0.306 1.992 1.00 0.00 H new ATOM 0 HB2 ARG B 40 22.115 1.638 1.772 1.00 0.00 H new ATOM 0 HB3 ARG B 40 21.483 2.819 2.903 1.00 0.00 H new ATOM 0 HG2 ARG B 40 21.402 1.083 4.675 1.00 0.00 H new ATOM 0 HG3 ARG B 40 22.027 -0.102 3.546 1.00 0.00 H new ATOM 0 HD2 ARG B 40 23.446 2.418 4.488 1.00 0.00 H new ATOM 0 HD3 ARG B 40 23.838 0.772 4.944 1.00 0.00 H new ATOM 0 HE ARG B 40 23.949 1.433 2.050 1.00 0.00 H new ATOM 0 HH11 ARG B 40 25.623 0.836 5.101 1.00 0.00 H new ATOM 0 HH12 ARG B 40 27.186 0.565 4.324 1.00 0.00 H new ATOM 0 HH21 ARG B 40 25.961 1.087 1.060 1.00 0.00 H new ATOM 0 HH22 ARG B 40 27.377 0.707 2.045 1.00 0.00 H new ATOM 2139 N TYR B 41 18.213 0.616 3.674 1.00 0.00 N ATOM 2140 CA TYR B 41 17.261 0.702 4.777 1.00 0.00 C ATOM 2141 C TYR B 41 17.008 -0.671 5.386 1.00 0.00 C ATOM 2142 O TYR B 41 17.101 -1.685 4.696 1.00 0.00 O ATOM 2143 CB TYR B 41 15.938 1.303 4.293 1.00 0.00 C ATOM 2144 CG TYR B 41 15.272 2.199 5.316 1.00 0.00 C ATOM 2145 CD1 TYR B 41 15.810 3.441 5.629 1.00 0.00 C ATOM 2146 CD2 TYR B 41 14.109 1.806 5.968 1.00 0.00 C ATOM 2147 CE1 TYR B 41 15.210 4.265 6.561 1.00 0.00 C ATOM 2148 CE2 TYR B 41 13.503 2.626 6.903 1.00 0.00 C ATOM 2149 CZ TYR B 41 14.057 3.854 7.195 1.00 0.00 C ATOM 2150 OH TYR B 41 13.457 4.671 8.125 1.00 0.00 O ATOM 0 H TYR B 41 18.130 -0.230 3.110 1.00 0.00 H new ATOM 0 HA TYR B 41 17.691 1.349 5.542 1.00 0.00 H new ATOM 0 HB2 TYR B 41 16.119 1.876 3.383 1.00 0.00 H new ATOM 0 HB3 TYR B 41 15.255 0.495 4.030 1.00 0.00 H new ATOM 0 HD1 TYR B 41 16.713 3.768 5.135 1.00 0.00 H new ATOM 0 HD2 TYR B 41 13.671 0.845 5.741 1.00 0.00 H new ATOM 0 HE1 TYR B 41 15.642 5.227 6.792 1.00 0.00 H new ATOM 0 HE2 TYR B 41 12.600 2.306 7.402 1.00 0.00 H new ATOM 0 HH TYR B 41 12.654 4.232 8.476 1.00 0.00 H new ATOM 2160 N LYS B 42 16.694 -0.688 6.681 1.00 0.00 N ATOM 2161 CA LYS B 42 16.409 -1.928 7.405 1.00 0.00 C ATOM 2162 C LYS B 42 16.299 -1.663 8.903 1.00 0.00 C ATOM 2163 O LYS B 42 15.918 -2.544 9.672 1.00 0.00 O ATOM 2164 CB LYS B 42 17.492 -2.980 7.146 1.00 0.00 C ATOM 2165 CG LYS B 42 18.886 -2.538 7.559 1.00 0.00 C ATOM 2166 CD LYS B 42 19.899 -3.659 7.393 1.00 0.00 C ATOM 2167 CE LYS B 42 21.263 -3.263 7.936 1.00 0.00 C ATOM 2168 NZ LYS B 42 21.220 -2.985 9.398 1.00 0.00 N ATOM 0 H LYS B 42 16.630 0.152 7.256 1.00 0.00 H new ATOM 0 HA LYS B 42 15.457 -2.312 7.039 1.00 0.00 H new ATOM 0 HB2 LYS B 42 17.236 -3.892 7.684 1.00 0.00 H new ATOM 0 HB3 LYS B 42 17.499 -3.228 6.085 1.00 0.00 H new ATOM 0 HG2 LYS B 42 19.189 -1.680 6.959 1.00 0.00 H new ATOM 0 HG3 LYS B 42 18.872 -2.210 8.598 1.00 0.00 H new ATOM 0 HD2 LYS B 42 19.545 -4.550 7.911 1.00 0.00 H new ATOM 0 HD3 LYS B 42 19.987 -3.918 6.338 1.00 0.00 H new ATOM 0 HE2 LYS B 42 21.978 -4.062 7.739 1.00 0.00 H new ATOM 0 HE3 LYS B 42 21.621 -2.379 7.409 1.00 0.00 H new ATOM 0 HZ1 LYS B 42 22.184 -3.020 9.786 1.00 0.00 H new ATOM 0 HZ2 LYS B 42 20.815 -2.041 9.560 1.00 0.00 H new ATOM 0 HZ3 LYS B 42 20.631 -3.700 9.870 1.00 0.00 H new ATOM 2182 N CYS B 43 16.632 -0.442 9.308 1.00 0.00 N ATOM 2183 CA CYS B 43 16.574 -0.058 10.714 1.00 0.00 C ATOM 2184 C CYS B 43 16.052 1.368 10.869 1.00 0.00 C ATOM 2185 O CYS B 43 14.825 1.532 11.039 1.00 0.00 O ATOM 2186 CB CYS B 43 17.957 -0.185 11.356 1.00 0.00 C ATOM 2187 SG CYS B 43 19.284 0.609 10.419 1.00 0.00 S ATOM 2188 OXT CYS B 43 16.871 2.309 10.821 1.00 0.00 O ATOM 0 H CYS B 43 16.945 0.300 8.682 1.00 0.00 H new ATOM 0 HA CYS B 43 15.884 -0.732 11.222 1.00 0.00 H new ATOM 0 HB2 CYS B 43 17.923 0.249 12.355 1.00 0.00 H new ATOM 0 HB3 CYS B 43 18.194 -1.242 11.476 1.00 0.00 H new ATOM 0 HG CYS B 43 18.920 1.812 10.085 1.00 0.00 H new TER 2194 CYS B 43