USER MOD reduce.3.24.130724 H: found=0, std=0, add=1093, rem=0, adj=48 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 NoAdj-H: B 36 ALY H : B 36 ALY N : B 35 VAL C :(H bumps) USER MOD Set 1.1: A 800 LYS NZ :NH3+ -139:sc= -1.56 (180deg=-2.87!) USER MOD Set 1.2: A 814 ASN :FLIP amide:sc= 0.163 F(o=-4.1,f=-1.4) USER MOD Set 2.1: A 760 TYR OH : rot 130:sc= 0.737 USER MOD Set 2.2: A 798 ASN : amide:sc= -9.62! C(o=-18!,f=-24!) USER MOD Set 2.3: A 799 CYS SG : rot -153:sc= -8.76! USER MOD Set 3.1: A 789 MET CE :methyl -161:sc= -10.4! (180deg=-11.3!) USER MOD Set 3.2: A 793 GLN :FLIP amide:sc= -1.3 F(o=-17!,f=-12) USER MOD Set 4.1: A 773 MET CE :methyl 142:sc= -10.5! (180deg=-11.7!) USER MOD Set 4.2: A 782 TYR OH : rot -25:sc= -6.66! USER MOD Set 5.1: A 744 SER OG : rot -52:sc= 0.561 USER MOD Set 5.2: A 812 CYS SG : rot 91:sc= 0.814 USER MOD Set 6.1: A 729 TYR OH : rot 165:sc= 0.444 USER MOD Set 6.2: A 733 LYS NZ :NH3+ -162:sc= 0.476 (180deg=0) USER MOD Single : A 716 SER OG : rot 38:sc= 0.709 USER MOD Single : A 717 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 718 MET CE :methyl -162:sc= -0.121 (180deg=-0.647) USER MOD Single : A 719 SER OG : rot 180:sc= 0 USER MOD Single : A 720 LYS NZ :NH3+ -160:sc= -0.058 (180deg=-0.408) USER MOD Single : A 727 GLN : amide:sc= -0.54 X(o=-0.54,f=-0.33) USER MOD Single : A 730 SER OG : rot 180:sc= 0 USER MOD Single : A 731 THR OG1 : rot 103:sc= 1.08 USER MOD Single : A 734 SER OG : rot 67:sc= 0.203 USER MOD Single : A 737 GLN :FLIP amide:sc= -0.263 F(o=-2!,f=-0.26) USER MOD Single : A 738 GLN :FLIP amide:sc= -3.48! C(o=-8.7!,f=-3.5!) USER MOD Single : A 740 LYS NZ :NH3+ -179:sc= -7.66! (180deg=-7.82!) USER MOD Single : A 741 SER OG : rot -24:sc= 0.642 USER MOD Single : A 742 HIS : no HD1:sc= -10.4! C(o=-10!,f=-20!) USER MOD Single : A 743 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 749 MET CE :methyl -108:sc= -3.9! (180deg=-9.26!) USER MOD Single : A 753 LYS NZ :NH3+ -165:sc= -0.0251 (180deg=-0.262) USER MOD Single : A 755 THR OG1 : rot 180:sc= 0 USER MOD Single : A 761 TYR OH : rot 180:sc= 0 USER MOD Single : A 768 MET CE :methyl -109:sc= -4.93 (180deg=-10.2!) USER MOD Single : A 771 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 772 THR OG1 : rot 44:sc= -0.159 USER MOD Single : A 774 SER OG : rot -17:sc= -0.157 USER MOD Single : A 778 LYS NZ :NH3+ -170:sc= -5.82! (180deg=-6.28!) USER MOD Single : A 779 ASN :FLIP amide:sc= -4.23! C(o=-9.4!,f=-4.2!) USER MOD Single : A 781 TYR OH : rot 30:sc= -1.1! USER MOD Single : A 784 SER OG : rot 49:sc= 0.155 USER MOD Single : A 785 LYS NZ :NH3+ -157:sc= -4.94! (180deg=-5.18!) USER MOD Single : A 786 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 797 THR OG1 : rot -58:sc= 0.951 USER MOD Single : A 802 TYR OH : rot 92:sc= -0.0199 USER MOD Single : A 803 ASN : amide:sc= -2.62! C(o=-2.6!,f=-4.3!) USER MOD Single : A 807 SER OG : rot -170:sc= -1.47 USER MOD Single : A 809 TYR OH : rot -15:sc= -2.83! USER MOD Single : A 810 TYR OH : rot 127:sc= 0.0937 USER MOD Single : A 811 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 818 LYS NZ :NH3+ 168:sc= 0 (180deg=-0.0641) USER MOD Single : A 822 SER OG : rot 180:sc= 0 USER MOD Single : A 823 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 825 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 832 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 31 SER OG : rot 27:sc= 0.0484 USER MOD Single : B 32 THR OG1 : rot -32:sc= 1.11 USER MOD Single : B 37 LYS NZ :NH3+ -164:sc= 0.0976 (180deg=0.0491) USER MOD Single : B 39 HIS : no HD1:sc= -5.36! C(o=-5.4!,f=-11!) USER MOD Single : B 41 TYR OH : rot 180:sc= 0 USER MOD Single : B 42 LYS NZ :NH3+ -165:sc= -0.0407 (180deg=-0.302) USER MOD Single : B 43 CYS SG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 715 -23.284 -0.247 -8.231 1.00 0.00 N ATOM 2 CA GLY A 715 -23.793 0.972 -7.542 1.00 0.00 C ATOM 3 C GLY A 715 -25.126 1.437 -8.093 1.00 0.00 C ATOM 4 O GLY A 715 -25.683 0.814 -8.997 1.00 0.00 O ATOM 0 HA2 GLY A 715 -23.896 0.767 -6.476 1.00 0.00 H new ATOM 0 HA3 GLY A 715 -23.062 1.774 -7.643 1.00 0.00 H new ATOM 10 N SER A 716 -25.638 2.535 -7.546 1.00 0.00 N ATOM 11 CA SER A 716 -26.914 3.088 -7.984 1.00 0.00 C ATOM 12 C SER A 716 -27.083 4.518 -7.484 1.00 0.00 C ATOM 13 O SER A 716 -27.368 4.740 -6.307 1.00 0.00 O ATOM 14 CB SER A 716 -28.069 2.218 -7.484 1.00 0.00 C ATOM 15 OG SER A 716 -28.053 2.109 -6.071 1.00 0.00 O ATOM 0 H SER A 716 -25.187 3.060 -6.797 1.00 0.00 H new ATOM 0 HA SER A 716 -26.925 3.099 -9.074 1.00 0.00 H new ATOM 0 HB2 SER A 716 -29.017 2.647 -7.808 1.00 0.00 H new ATOM 0 HB3 SER A 716 -27.999 1.225 -7.929 1.00 0.00 H new ATOM 0 HG SER A 716 -27.780 2.965 -5.680 1.00 0.00 H new ATOM 21 N HIS A 717 -26.906 5.479 -8.388 1.00 0.00 N ATOM 22 CA HIS A 717 -27.031 6.896 -8.052 1.00 0.00 C ATOM 23 C HIS A 717 -25.972 7.315 -7.036 1.00 0.00 C ATOM 24 O HIS A 717 -24.945 7.889 -7.399 1.00 0.00 O ATOM 25 CB HIS A 717 -28.431 7.202 -7.511 1.00 0.00 C ATOM 26 CG HIS A 717 -29.525 6.918 -8.491 1.00 0.00 C ATOM 27 ND1 HIS A 717 -30.252 5.747 -8.489 1.00 0.00 N ATOM 28 CD2 HIS A 717 -30.017 7.663 -9.510 1.00 0.00 C ATOM 29 CE1 HIS A 717 -31.142 5.782 -9.465 1.00 0.00 C ATOM 30 NE2 HIS A 717 -31.020 6.933 -10.099 1.00 0.00 N ATOM 0 H HIS A 717 -26.674 5.301 -9.365 1.00 0.00 H new ATOM 0 HA HIS A 717 -26.875 7.469 -8.966 1.00 0.00 H new ATOM 0 HB2 HIS A 717 -28.600 6.613 -6.609 1.00 0.00 H new ATOM 0 HB3 HIS A 717 -28.478 8.251 -7.220 1.00 0.00 H new ATOM 0 HD2 HIS A 717 -29.683 8.647 -9.804 1.00 0.00 H new ATOM 0 HE1 HIS A 717 -31.849 5.001 -9.703 1.00 0.00 H new ATOM 0 HE2 HIS A 717 -31.580 7.232 -10.897 1.00 0.00 H new ATOM 39 N MET A 718 -26.226 7.027 -5.763 1.00 0.00 N ATOM 40 CA MET A 718 -25.293 7.373 -4.698 1.00 0.00 C ATOM 41 C MET A 718 -24.883 6.135 -3.907 1.00 0.00 C ATOM 42 O MET A 718 -25.731 5.402 -3.397 1.00 0.00 O ATOM 43 CB MET A 718 -25.916 8.409 -3.761 1.00 0.00 C ATOM 44 CG MET A 718 -26.357 9.680 -4.468 1.00 0.00 C ATOM 45 SD MET A 718 -27.040 10.905 -3.334 1.00 0.00 S ATOM 46 CE MET A 718 -28.434 10.006 -2.659 1.00 0.00 C ATOM 0 H MET A 718 -27.072 6.554 -5.444 1.00 0.00 H new ATOM 0 HA MET A 718 -24.401 7.799 -5.157 1.00 0.00 H new ATOM 0 HB2 MET A 718 -26.776 7.964 -3.261 1.00 0.00 H new ATOM 0 HB3 MET A 718 -25.194 8.666 -2.986 1.00 0.00 H new ATOM 0 HG2 MET A 718 -25.506 10.112 -4.994 1.00 0.00 H new ATOM 0 HG3 MET A 718 -27.105 9.431 -5.221 1.00 0.00 H new ATOM 0 HE1 MET A 718 -29.131 10.707 -2.200 1.00 0.00 H new ATOM 0 HE2 MET A 718 -28.938 9.463 -3.458 1.00 0.00 H new ATOM 0 HE3 MET A 718 -28.082 9.300 -1.907 1.00 0.00 H new ATOM 56 N SER A 719 -23.576 5.908 -3.810 1.00 0.00 N ATOM 57 CA SER A 719 -23.046 4.761 -3.082 1.00 0.00 C ATOM 58 C SER A 719 -21.585 4.988 -2.707 1.00 0.00 C ATOM 59 O SER A 719 -20.828 5.595 -3.467 1.00 0.00 O ATOM 60 CB SER A 719 -23.176 3.491 -3.924 1.00 0.00 C ATOM 61 OG SER A 719 -22.479 3.618 -5.152 1.00 0.00 O ATOM 0 H SER A 719 -22.863 6.506 -4.228 1.00 0.00 H new ATOM 0 HA SER A 719 -23.626 4.642 -2.167 1.00 0.00 H new ATOM 0 HB2 SER A 719 -22.784 2.640 -3.367 1.00 0.00 H new ATOM 0 HB3 SER A 719 -24.229 3.287 -4.119 1.00 0.00 H new ATOM 0 HG SER A 719 -22.577 2.792 -5.670 1.00 0.00 H new ATOM 67 N LYS A 720 -21.192 4.501 -1.534 1.00 0.00 N ATOM 68 CA LYS A 720 -19.821 4.659 -1.065 1.00 0.00 C ATOM 69 C LYS A 720 -19.255 3.346 -0.540 1.00 0.00 C ATOM 70 O LYS A 720 -18.820 2.501 -1.320 1.00 0.00 O ATOM 71 CB LYS A 720 -19.747 5.738 0.008 1.00 0.00 C ATOM 72 CG LYS A 720 -20.207 7.109 -0.466 1.00 0.00 C ATOM 73 CD LYS A 720 -19.230 7.717 -1.460 1.00 0.00 C ATOM 74 CE LYS A 720 -17.959 8.191 -0.774 1.00 0.00 C ATOM 75 NZ LYS A 720 -18.225 9.303 0.180 1.00 0.00 N ATOM 0 H LYS A 720 -21.803 3.995 -0.893 1.00 0.00 H new ATOM 0 HA LYS A 720 -19.212 4.966 -1.916 1.00 0.00 H new ATOM 0 HB2 LYS A 720 -20.358 5.434 0.858 1.00 0.00 H new ATOM 0 HB3 LYS A 720 -18.720 5.813 0.364 1.00 0.00 H new ATOM 0 HG2 LYS A 720 -21.190 7.023 -0.928 1.00 0.00 H new ATOM 0 HG3 LYS A 720 -20.315 7.773 0.391 1.00 0.00 H new ATOM 0 HD2 LYS A 720 -18.980 6.980 -2.223 1.00 0.00 H new ATOM 0 HD3 LYS A 720 -19.704 8.556 -1.970 1.00 0.00 H new ATOM 0 HE2 LYS A 720 -17.501 7.357 -0.241 1.00 0.00 H new ATOM 0 HE3 LYS A 720 -17.242 8.521 -1.526 1.00 0.00 H new ATOM 0 HZ1 LYS A 720 -17.341 9.818 0.368 1.00 0.00 H new ATOM 0 HZ2 LYS A 720 -18.924 9.953 -0.231 1.00 0.00 H new ATOM 0 HZ3 LYS A 720 -18.595 8.915 1.071 1.00 0.00 H new ATOM 89 N GLU A 721 -19.261 3.181 0.782 1.00 0.00 N ATOM 90 CA GLU A 721 -18.734 1.976 1.417 1.00 0.00 C ATOM 91 C GLU A 721 -19.251 0.716 0.731 1.00 0.00 C ATOM 92 O GLU A 721 -20.406 0.324 0.900 1.00 0.00 O ATOM 93 CB GLU A 721 -19.104 1.952 2.896 1.00 0.00 C ATOM 94 CG GLU A 721 -18.528 0.767 3.651 1.00 0.00 C ATOM 95 CD GLU A 721 -19.029 0.692 5.080 1.00 0.00 C ATOM 96 OE1 GLU A 721 -20.148 0.178 5.290 1.00 0.00 O ATOM 97 OE2 GLU A 721 -18.304 1.150 5.988 1.00 0.00 O ATOM 0 H GLU A 721 -19.628 3.872 1.437 1.00 0.00 H new ATOM 0 HA GLU A 721 -17.649 1.995 1.319 1.00 0.00 H new ATOM 0 HB2 GLU A 721 -18.756 2.873 3.363 1.00 0.00 H new ATOM 0 HB3 GLU A 721 -20.190 1.938 2.989 1.00 0.00 H new ATOM 0 HG2 GLU A 721 -18.788 -0.154 3.129 1.00 0.00 H new ATOM 0 HG3 GLU A 721 -17.440 0.836 3.654 1.00 0.00 H new ATOM 104 N PRO A 722 -18.377 0.076 -0.054 1.00 0.00 N ATOM 105 CA PRO A 722 -18.687 -1.152 -0.792 1.00 0.00 C ATOM 106 C PRO A 722 -19.045 -2.309 0.141 1.00 0.00 C ATOM 107 O PRO A 722 -20.139 -2.864 0.065 1.00 0.00 O ATOM 108 CB PRO A 722 -17.387 -1.443 -1.539 1.00 0.00 C ATOM 109 CG PRO A 722 -16.707 -0.135 -1.590 1.00 0.00 C ATOM 110 CD PRO A 722 -17.002 0.508 -0.295 1.00 0.00 C ATOM 0 HA PRO A 722 -19.553 -1.038 -1.445 1.00 0.00 H new ATOM 0 HB2 PRO A 722 -16.784 -2.187 -1.017 1.00 0.00 H new ATOM 0 HB3 PRO A 722 -17.579 -1.833 -2.539 1.00 0.00 H new ATOM 0 HG2 PRO A 722 -15.633 -0.255 -1.734 1.00 0.00 H new ATOM 0 HG3 PRO A 722 -17.074 0.467 -2.421 1.00 0.00 H new ATOM 0 HD2 PRO A 722 -16.325 0.174 0.491 1.00 0.00 H new ATOM 0 HD3 PRO A 722 -16.918 1.593 -0.349 1.00 0.00 H new ATOM 118 N ARG A 723 -18.100 -2.654 1.020 1.00 0.00 N ATOM 119 CA ARG A 723 -18.279 -3.728 2.003 1.00 0.00 C ATOM 120 C ARG A 723 -18.257 -5.118 1.369 1.00 0.00 C ATOM 121 O ARG A 723 -17.387 -5.929 1.682 1.00 0.00 O ATOM 122 CB ARG A 723 -19.570 -3.542 2.794 1.00 0.00 C ATOM 123 CG ARG A 723 -19.648 -4.471 3.988 1.00 0.00 C ATOM 124 CD ARG A 723 -18.743 -4.007 5.118 1.00 0.00 C ATOM 125 NE ARG A 723 -19.258 -2.813 5.783 1.00 0.00 N ATOM 126 CZ ARG A 723 -18.859 -2.411 6.986 1.00 0.00 C ATOM 127 NH1 ARG A 723 -17.940 -3.103 7.647 1.00 0.00 N ATOM 128 NH2 ARG A 723 -19.378 -1.319 7.530 1.00 0.00 N ATOM 0 H ARG A 723 -17.189 -2.197 1.071 1.00 0.00 H new ATOM 0 HA ARG A 723 -17.429 -3.661 2.682 1.00 0.00 H new ATOM 0 HB2 ARG A 723 -19.640 -2.509 3.134 1.00 0.00 H new ATOM 0 HB3 ARG A 723 -20.424 -3.721 2.140 1.00 0.00 H new ATOM 0 HG2 ARG A 723 -20.677 -4.522 4.343 1.00 0.00 H new ATOM 0 HG3 ARG A 723 -19.365 -5.479 3.685 1.00 0.00 H new ATOM 0 HD2 ARG A 723 -18.636 -4.809 5.848 1.00 0.00 H new ATOM 0 HD3 ARG A 723 -17.748 -3.800 4.723 1.00 0.00 H new ATOM 0 HE ARG A 723 -19.962 -2.257 5.298 1.00 0.00 H new ATOM 0 HH11 ARG A 723 -17.539 -3.944 7.232 1.00 0.00 H new ATOM 0 HH12 ARG A 723 -17.635 -2.794 8.570 1.00 0.00 H new ATOM 0 HH21 ARG A 723 -20.085 -0.785 7.026 1.00 0.00 H new ATOM 0 HH22 ARG A 723 -19.070 -1.013 8.453 1.00 0.00 H new ATOM 142 N ASP A 724 -19.221 -5.399 0.500 1.00 0.00 N ATOM 143 CA ASP A 724 -19.299 -6.702 -0.153 1.00 0.00 C ATOM 144 C ASP A 724 -17.978 -7.079 -0.810 1.00 0.00 C ATOM 145 O ASP A 724 -17.312 -6.256 -1.429 1.00 0.00 O ATOM 146 CB ASP A 724 -20.423 -6.719 -1.182 1.00 0.00 C ATOM 147 CG ASP A 724 -20.531 -8.033 -1.931 1.00 0.00 C ATOM 148 OD1 ASP A 724 -21.083 -8.997 -1.362 1.00 0.00 O ATOM 149 OD2 ASP A 724 -20.080 -8.094 -3.091 1.00 0.00 O ATOM 0 H ASP A 724 -19.957 -4.746 0.232 1.00 0.00 H new ATOM 0 HA ASP A 724 -19.513 -7.443 0.617 1.00 0.00 H new ATOM 0 HB2 ASP A 724 -21.369 -6.516 -0.680 1.00 0.00 H new ATOM 0 HB3 ASP A 724 -20.263 -5.913 -1.898 1.00 0.00 H new ATOM 154 N PRO A 725 -17.594 -8.349 -0.646 1.00 0.00 N ATOM 155 CA PRO A 725 -16.360 -8.906 -1.192 1.00 0.00 C ATOM 156 C PRO A 725 -16.259 -8.776 -2.707 1.00 0.00 C ATOM 157 O PRO A 725 -15.160 -8.724 -3.253 1.00 0.00 O ATOM 158 CB PRO A 725 -16.411 -10.387 -0.794 1.00 0.00 C ATOM 159 CG PRO A 725 -17.810 -10.639 -0.355 1.00 0.00 C ATOM 160 CD PRO A 725 -18.351 -9.332 0.118 1.00 0.00 C ATOM 0 HA PRO A 725 -15.491 -8.373 -0.806 1.00 0.00 H new ATOM 0 HB2 PRO A 725 -16.143 -11.027 -1.634 1.00 0.00 H new ATOM 0 HB3 PRO A 725 -15.705 -10.601 0.008 1.00 0.00 H new ATOM 0 HG2 PRO A 725 -18.409 -11.032 -1.177 1.00 0.00 H new ATOM 0 HG3 PRO A 725 -17.838 -11.381 0.443 1.00 0.00 H new ATOM 0 HD2 PRO A 725 -19.421 -9.249 -0.072 1.00 0.00 H new ATOM 0 HD3 PRO A 725 -18.207 -9.203 1.191 1.00 0.00 H new ATOM 168 N ASP A 726 -17.404 -8.731 -3.379 1.00 0.00 N ATOM 169 CA ASP A 726 -17.433 -8.604 -4.831 1.00 0.00 C ATOM 170 C ASP A 726 -17.523 -7.135 -5.193 1.00 0.00 C ATOM 171 O ASP A 726 -16.892 -6.674 -6.144 1.00 0.00 O ATOM 172 CB ASP A 726 -18.616 -9.375 -5.419 1.00 0.00 C ATOM 173 CG ASP A 726 -18.621 -9.361 -6.935 1.00 0.00 C ATOM 174 OD1 ASP A 726 -19.209 -8.426 -7.519 1.00 0.00 O ATOM 175 OD2 ASP A 726 -18.037 -10.286 -7.539 1.00 0.00 O ATOM 0 H ASP A 726 -18.324 -8.781 -2.941 1.00 0.00 H new ATOM 0 HA ASP A 726 -16.520 -9.028 -5.249 1.00 0.00 H new ATOM 0 HB2 ASP A 726 -18.584 -10.407 -5.068 1.00 0.00 H new ATOM 0 HB3 ASP A 726 -19.547 -8.942 -5.052 1.00 0.00 H new ATOM 180 N GLN A 727 -18.323 -6.406 -4.421 1.00 0.00 N ATOM 181 CA GLN A 727 -18.473 -4.979 -4.619 1.00 0.00 C ATOM 182 C GLN A 727 -17.105 -4.341 -4.510 1.00 0.00 C ATOM 183 O GLN A 727 -16.719 -3.523 -5.332 1.00 0.00 O ATOM 184 CB GLN A 727 -19.432 -4.400 -3.578 1.00 0.00 C ATOM 185 CG GLN A 727 -20.886 -4.664 -3.919 1.00 0.00 C ATOM 186 CD GLN A 727 -21.846 -3.795 -3.132 1.00 0.00 C ATOM 187 OE1 GLN A 727 -21.565 -3.407 -2.000 1.00 0.00 O ATOM 188 NE2 GLN A 727 -22.990 -3.485 -3.731 1.00 0.00 N ATOM 0 H GLN A 727 -18.876 -6.786 -3.653 1.00 0.00 H new ATOM 0 HA GLN A 727 -18.894 -4.774 -5.603 1.00 0.00 H new ATOM 0 HB2 GLN A 727 -19.207 -4.830 -2.602 1.00 0.00 H new ATOM 0 HB3 GLN A 727 -19.270 -3.325 -3.497 1.00 0.00 H new ATOM 0 HG2 GLN A 727 -21.040 -4.493 -4.984 1.00 0.00 H new ATOM 0 HG3 GLN A 727 -21.114 -5.713 -3.728 1.00 0.00 H new ATOM 0 HE21 GLN A 727 -23.183 -3.829 -4.672 1.00 0.00 H new ATOM 0 HE22 GLN A 727 -23.676 -2.903 -3.250 1.00 0.00 H new ATOM 197 N LEU A 728 -16.369 -4.782 -3.498 1.00 0.00 N ATOM 198 CA LEU A 728 -15.019 -4.313 -3.236 1.00 0.00 C ATOM 199 C LEU A 728 -14.065 -4.881 -4.257 1.00 0.00 C ATOM 200 O LEU A 728 -13.376 -4.145 -4.941 1.00 0.00 O ATOM 201 CB LEU A 728 -14.591 -4.748 -1.840 1.00 0.00 C ATOM 202 CG LEU A 728 -15.109 -3.869 -0.720 1.00 0.00 C ATOM 203 CD1 LEU A 728 -14.958 -4.561 0.620 1.00 0.00 C ATOM 204 CD2 LEU A 728 -14.351 -2.562 -0.736 1.00 0.00 C ATOM 0 H LEU A 728 -16.697 -5.481 -2.832 1.00 0.00 H new ATOM 0 HA LEU A 728 -15.002 -3.225 -3.301 1.00 0.00 H new ATOM 0 HB2 LEU A 728 -14.933 -5.769 -1.671 1.00 0.00 H new ATOM 0 HB3 LEU A 728 -13.502 -4.765 -1.797 1.00 0.00 H new ATOM 0 HG LEU A 728 -16.171 -3.676 -0.871 1.00 0.00 H new ATOM 0 HD11 LEU A 728 -15.336 -3.912 1.410 1.00 0.00 H new ATOM 0 HD12 LEU A 728 -15.524 -5.493 0.614 1.00 0.00 H new ATOM 0 HD13 LEU A 728 -13.905 -4.777 0.801 1.00 0.00 H new ATOM 0 HD21 LEU A 728 -14.715 -1.920 0.066 1.00 0.00 H new ATOM 0 HD22 LEU A 728 -13.288 -2.756 -0.591 1.00 0.00 H new ATOM 0 HD23 LEU A 728 -14.502 -2.066 -1.695 1.00 0.00 H new ATOM 216 N TYR A 729 -14.057 -6.195 -4.385 1.00 0.00 N ATOM 217 CA TYR A 729 -13.175 -6.845 -5.332 1.00 0.00 C ATOM 218 C TYR A 729 -13.024 -6.013 -6.581 1.00 0.00 C ATOM 219 O TYR A 729 -11.935 -5.532 -6.870 1.00 0.00 O ATOM 220 CB TYR A 729 -13.748 -8.214 -5.687 1.00 0.00 C ATOM 221 CG TYR A 729 -13.495 -8.659 -7.101 1.00 0.00 C ATOM 222 CD1 TYR A 729 -12.213 -8.855 -7.508 1.00 0.00 C ATOM 223 CD2 TYR A 729 -14.523 -8.906 -8.003 1.00 0.00 C ATOM 224 CE1 TYR A 729 -11.908 -9.282 -8.773 1.00 0.00 C ATOM 225 CE2 TYR A 729 -14.242 -9.335 -9.289 1.00 0.00 C ATOM 226 CZ TYR A 729 -12.928 -9.522 -9.671 1.00 0.00 C ATOM 227 OH TYR A 729 -12.636 -9.952 -10.946 1.00 0.00 O ATOM 0 H TYR A 729 -14.648 -6.829 -3.848 1.00 0.00 H new ATOM 0 HA TYR A 729 -12.190 -6.960 -4.879 1.00 0.00 H new ATOM 0 HB2 TYR A 729 -13.327 -8.955 -5.008 1.00 0.00 H new ATOM 0 HB3 TYR A 729 -14.824 -8.197 -5.514 1.00 0.00 H new ATOM 0 HD1 TYR A 729 -11.409 -8.668 -6.811 1.00 0.00 H new ATOM 0 HD2 TYR A 729 -15.549 -8.762 -7.698 1.00 0.00 H new ATOM 0 HE1 TYR A 729 -10.879 -9.430 -9.065 1.00 0.00 H new ATOM 0 HE2 TYR A 729 -15.044 -9.522 -9.988 1.00 0.00 H new ATOM 0 HH TYR A 729 -13.449 -10.300 -11.368 1.00 0.00 H new ATOM 237 N SER A 730 -14.104 -5.781 -7.293 1.00 0.00 N ATOM 238 CA SER A 730 -13.983 -5.017 -8.502 1.00 0.00 C ATOM 239 C SER A 730 -14.028 -3.516 -8.273 1.00 0.00 C ATOM 240 O SER A 730 -13.620 -2.750 -9.145 1.00 0.00 O ATOM 241 CB SER A 730 -14.910 -5.493 -9.591 1.00 0.00 C ATOM 242 OG SER A 730 -15.480 -4.409 -10.305 1.00 0.00 O ATOM 0 H SER A 730 -15.045 -6.101 -7.062 1.00 0.00 H new ATOM 0 HA SER A 730 -12.977 -5.210 -8.875 1.00 0.00 H new ATOM 0 HB2 SER A 730 -14.362 -6.135 -10.281 1.00 0.00 H new ATOM 0 HB3 SER A 730 -15.704 -6.099 -9.154 1.00 0.00 H new ATOM 0 HG SER A 730 -16.074 -4.754 -11.004 1.00 0.00 H new ATOM 248 N THR A 731 -14.526 -3.079 -7.115 1.00 0.00 N ATOM 249 CA THR A 731 -14.512 -1.652 -6.832 1.00 0.00 C ATOM 250 C THR A 731 -13.069 -1.286 -6.819 1.00 0.00 C ATOM 251 O THR A 731 -12.575 -0.504 -7.627 1.00 0.00 O ATOM 252 CB THR A 731 -15.129 -1.306 -5.461 1.00 0.00 C ATOM 253 OG1 THR A 731 -16.541 -1.105 -5.600 1.00 0.00 O ATOM 254 CG2 THR A 731 -14.501 -0.052 -4.860 1.00 0.00 C ATOM 0 H THR A 731 -14.928 -3.669 -6.387 1.00 0.00 H new ATOM 0 HA THR A 731 -15.102 -1.113 -7.573 1.00 0.00 H new ATOM 0 HB THR A 731 -14.932 -2.142 -4.790 1.00 0.00 H new ATOM 0 HG1 THR A 731 -17.018 -1.897 -5.275 1.00 0.00 H new ATOM 0 HG21 THR A 731 -14.962 0.159 -3.895 1.00 0.00 H new ATOM 0 HG22 THR A 731 -13.431 -0.210 -4.724 1.00 0.00 H new ATOM 0 HG23 THR A 731 -14.661 0.792 -5.531 1.00 0.00 H new ATOM 262 N LEU A 732 -12.417 -1.944 -5.897 1.00 0.00 N ATOM 263 CA LEU A 732 -11.012 -1.846 -5.687 1.00 0.00 C ATOM 264 C LEU A 732 -10.274 -2.211 -6.967 1.00 0.00 C ATOM 265 O LEU A 732 -9.202 -1.686 -7.243 1.00 0.00 O ATOM 266 CB LEU A 732 -10.632 -2.810 -4.592 1.00 0.00 C ATOM 267 CG LEU A 732 -11.533 -2.855 -3.363 1.00 0.00 C ATOM 268 CD1 LEU A 732 -11.392 -4.190 -2.699 1.00 0.00 C ATOM 269 CD2 LEU A 732 -11.166 -1.766 -2.396 1.00 0.00 C ATOM 0 H LEU A 732 -12.876 -2.586 -5.251 1.00 0.00 H new ATOM 0 HA LEU A 732 -10.744 -0.828 -5.405 1.00 0.00 H new ATOM 0 HB2 LEU A 732 -10.595 -3.811 -5.021 1.00 0.00 H new ATOM 0 HB3 LEU A 732 -9.622 -2.566 -4.262 1.00 0.00 H new ATOM 0 HG LEU A 732 -12.566 -2.703 -3.675 1.00 0.00 H new ATOM 0 HD11 LEU A 732 -12.034 -4.228 -1.819 1.00 0.00 H new ATOM 0 HD12 LEU A 732 -11.684 -4.976 -3.396 1.00 0.00 H new ATOM 0 HD13 LEU A 732 -10.355 -4.339 -2.398 1.00 0.00 H new ATOM 0 HD21 LEU A 732 -11.821 -1.816 -1.526 1.00 0.00 H new ATOM 0 HD22 LEU A 732 -10.131 -1.895 -2.079 1.00 0.00 H new ATOM 0 HD23 LEU A 732 -11.279 -0.796 -2.880 1.00 0.00 H new ATOM 281 N LYS A 733 -10.855 -3.127 -7.745 1.00 0.00 N ATOM 282 CA LYS A 733 -10.241 -3.537 -9.004 1.00 0.00 C ATOM 283 C LYS A 733 -10.031 -2.308 -9.853 1.00 0.00 C ATOM 284 O LYS A 733 -9.121 -2.245 -10.666 1.00 0.00 O ATOM 285 CB LYS A 733 -11.118 -4.553 -9.743 1.00 0.00 C ATOM 286 CG LYS A 733 -10.549 -5.033 -11.064 1.00 0.00 C ATOM 287 CD LYS A 733 -10.992 -6.451 -11.385 1.00 0.00 C ATOM 288 CE LYS A 733 -12.450 -6.509 -11.780 1.00 0.00 C ATOM 289 NZ LYS A 733 -12.712 -7.560 -12.800 1.00 0.00 N ATOM 0 H LYS A 733 -11.737 -3.591 -7.528 1.00 0.00 H new ATOM 0 HA LYS A 733 -9.286 -4.021 -8.800 1.00 0.00 H new ATOM 0 HB2 LYS A 733 -11.277 -5.415 -9.096 1.00 0.00 H new ATOM 0 HB3 LYS A 733 -12.096 -4.106 -9.924 1.00 0.00 H new ATOM 0 HG2 LYS A 733 -10.867 -4.363 -11.862 1.00 0.00 H new ATOM 0 HG3 LYS A 733 -9.460 -4.991 -11.028 1.00 0.00 H new ATOM 0 HD2 LYS A 733 -10.380 -6.848 -12.195 1.00 0.00 H new ATOM 0 HD3 LYS A 733 -10.825 -7.089 -10.517 1.00 0.00 H new ATOM 0 HE2 LYS A 733 -13.057 -6.703 -10.896 1.00 0.00 H new ATOM 0 HE3 LYS A 733 -12.758 -5.540 -12.172 1.00 0.00 H new ATOM 0 HZ1 LYS A 733 -13.625 -7.375 -13.262 1.00 0.00 H new ATOM 0 HZ2 LYS A 733 -11.955 -7.549 -13.513 1.00 0.00 H new ATOM 0 HZ3 LYS A 733 -12.739 -8.492 -12.339 1.00 0.00 H new ATOM 303 N SER A 734 -10.870 -1.313 -9.606 1.00 0.00 N ATOM 304 CA SER A 734 -10.805 -0.055 -10.334 1.00 0.00 C ATOM 305 C SER A 734 -9.820 0.867 -9.649 1.00 0.00 C ATOM 306 O SER A 734 -8.959 1.447 -10.308 1.00 0.00 O ATOM 307 CB SER A 734 -12.184 0.601 -10.422 1.00 0.00 C ATOM 308 OG SER A 734 -13.131 -0.276 -11.006 1.00 0.00 O ATOM 0 H SER A 734 -11.608 -1.353 -8.903 1.00 0.00 H new ATOM 0 HA SER A 734 -10.469 -0.252 -11.352 1.00 0.00 H new ATOM 0 HB2 SER A 734 -12.517 0.889 -9.425 1.00 0.00 H new ATOM 0 HB3 SER A 734 -12.118 1.515 -11.012 1.00 0.00 H new ATOM 0 HG SER A 734 -13.285 -1.037 -10.408 1.00 0.00 H new ATOM 314 N ILE A 735 -9.947 1.023 -8.325 1.00 0.00 N ATOM 315 CA ILE A 735 -9.002 1.848 -7.607 1.00 0.00 C ATOM 316 C ILE A 735 -7.615 1.355 -7.956 1.00 0.00 C ATOM 317 O ILE A 735 -6.862 2.055 -8.611 1.00 0.00 O ATOM 318 CB ILE A 735 -9.226 1.839 -6.084 1.00 0.00 C ATOM 319 CG1 ILE A 735 -10.610 2.394 -5.795 1.00 0.00 C ATOM 320 CG2 ILE A 735 -8.173 2.706 -5.387 1.00 0.00 C ATOM 321 CD1 ILE A 735 -11.694 1.375 -5.830 1.00 0.00 C ATOM 0 H ILE A 735 -10.677 0.597 -7.754 1.00 0.00 H new ATOM 0 HA ILE A 735 -9.137 2.887 -7.908 1.00 0.00 H new ATOM 0 HB ILE A 735 -9.141 0.819 -5.710 1.00 0.00 H new ATOM 0 HG12 ILE A 735 -10.602 2.867 -4.813 1.00 0.00 H new ATOM 0 HG13 ILE A 735 -10.836 3.174 -6.522 1.00 0.00 H new ATOM 0 HG21 ILE A 735 -8.343 2.690 -4.311 1.00 0.00 H new ATOM 0 HG22 ILE A 735 -7.179 2.315 -5.603 1.00 0.00 H new ATOM 0 HG23 ILE A 735 -8.246 3.731 -5.751 1.00 0.00 H new ATOM 0 HD11 ILE A 735 -12.650 1.853 -5.613 1.00 0.00 H new ATOM 0 HD12 ILE A 735 -11.732 0.918 -6.819 1.00 0.00 H new ATOM 0 HD13 ILE A 735 -11.495 0.606 -5.083 1.00 0.00 H new ATOM 333 N LEU A 736 -7.322 0.111 -7.583 1.00 0.00 N ATOM 334 CA LEU A 736 -6.038 -0.507 -7.899 1.00 0.00 C ATOM 335 C LEU A 736 -5.647 -0.177 -9.319 1.00 0.00 C ATOM 336 O LEU A 736 -4.592 0.392 -9.576 1.00 0.00 O ATOM 337 CB LEU A 736 -6.126 -2.028 -7.758 1.00 0.00 C ATOM 338 CG LEU A 736 -5.115 -2.639 -6.815 1.00 0.00 C ATOM 339 CD1 LEU A 736 -5.362 -4.109 -6.743 1.00 0.00 C ATOM 340 CD2 LEU A 736 -3.704 -2.313 -7.228 1.00 0.00 C ATOM 0 H LEU A 736 -7.959 -0.490 -7.060 1.00 0.00 H new ATOM 0 HA LEU A 736 -5.293 -0.120 -7.204 1.00 0.00 H new ATOM 0 HB2 LEU A 736 -7.127 -2.289 -7.414 1.00 0.00 H new ATOM 0 HB3 LEU A 736 -6.001 -2.478 -8.743 1.00 0.00 H new ATOM 0 HG LEU A 736 -5.235 -2.212 -5.819 1.00 0.00 H new ATOM 0 HD11 LEU A 736 -4.640 -4.566 -6.066 1.00 0.00 H new ATOM 0 HD12 LEU A 736 -6.371 -4.291 -6.374 1.00 0.00 H new ATOM 0 HD13 LEU A 736 -5.255 -4.545 -7.736 1.00 0.00 H new ATOM 0 HD21 LEU A 736 -3.005 -2.769 -6.527 1.00 0.00 H new ATOM 0 HD22 LEU A 736 -3.519 -2.702 -8.229 1.00 0.00 H new ATOM 0 HD23 LEU A 736 -3.565 -1.232 -7.227 1.00 0.00 H new ATOM 352 N GLN A 737 -6.518 -0.565 -10.233 1.00 0.00 N ATOM 353 CA GLN A 737 -6.323 -0.310 -11.652 1.00 0.00 C ATOM 354 C GLN A 737 -5.840 1.113 -11.886 1.00 0.00 C ATOM 355 O GLN A 737 -4.963 1.360 -12.710 1.00 0.00 O ATOM 356 CB GLN A 737 -7.635 -0.551 -12.406 1.00 0.00 C ATOM 357 CG GLN A 737 -7.715 -1.904 -13.090 1.00 0.00 C ATOM 358 CD GLN A 737 -8.664 -1.917 -14.274 1.00 0.00 C ATOM 359 OE1 GLN A 737 -8.787 -0.781 -14.953 1.00 0.00 O flip ATOM 360 NE2 GLN A 737 -9.279 -2.938 -14.578 1.00 0.00 N flip ATOM 0 H GLN A 737 -7.380 -1.065 -10.015 1.00 0.00 H new ATOM 0 HA GLN A 737 -5.561 -0.994 -12.025 1.00 0.00 H new ATOM 0 HB2 GLN A 737 -8.466 -0.459 -11.707 1.00 0.00 H new ATOM 0 HB3 GLN A 737 -7.761 0.231 -13.155 1.00 0.00 H new ATOM 0 HG2 GLN A 737 -6.720 -2.194 -13.427 1.00 0.00 H new ATOM 0 HG3 GLN A 737 -8.037 -2.652 -12.366 1.00 0.00 H new ATOM 0 HE21 GLN A 737 -9.156 -3.790 -14.030 1.00 0.00 H new ATOM 0 HE22 GLN A 737 -9.912 -2.933 -15.378 1.00 0.00 H new ATOM 369 N GLN A 738 -6.403 2.033 -11.127 1.00 0.00 N ATOM 370 CA GLN A 738 -6.069 3.443 -11.237 1.00 0.00 C ATOM 371 C GLN A 738 -4.749 3.782 -10.539 1.00 0.00 C ATOM 372 O GLN A 738 -3.809 4.263 -11.170 1.00 0.00 O ATOM 373 CB GLN A 738 -7.212 4.258 -10.642 1.00 0.00 C ATOM 374 CG GLN A 738 -8.470 4.192 -11.486 1.00 0.00 C ATOM 375 CD GLN A 738 -9.705 4.656 -10.742 1.00 0.00 C ATOM 376 OE1 GLN A 738 -9.736 4.406 -9.438 1.00 0.00 O flip ATOM 377 NE2 GLN A 738 -10.624 5.224 -11.332 1.00 0.00 N flip ATOM 0 H GLN A 738 -7.105 1.826 -10.416 1.00 0.00 H new ATOM 0 HA GLN A 738 -5.935 3.688 -12.291 1.00 0.00 H new ATOM 0 HB2 GLN A 738 -7.431 3.893 -9.639 1.00 0.00 H new ATOM 0 HB3 GLN A 738 -6.899 5.297 -10.541 1.00 0.00 H new ATOM 0 HG2 GLN A 738 -8.336 4.806 -12.376 1.00 0.00 H new ATOM 0 HG3 GLN A 738 -8.620 3.167 -11.825 1.00 0.00 H new ATOM 0 HE21 GLN A 738 -10.557 5.395 -12.335 1.00 0.00 H new ATOM 0 HE22 GLN A 738 -11.452 5.523 -10.818 1.00 0.00 H new ATOM 386 N VAL A 739 -4.694 3.534 -9.233 1.00 0.00 N ATOM 387 CA VAL A 739 -3.514 3.808 -8.433 1.00 0.00 C ATOM 388 C VAL A 739 -2.274 3.206 -9.067 1.00 0.00 C ATOM 389 O VAL A 739 -1.199 3.776 -8.978 1.00 0.00 O ATOM 390 CB VAL A 739 -3.653 3.256 -6.989 1.00 0.00 C ATOM 391 CG1 VAL A 739 -5.082 2.938 -6.621 1.00 0.00 C ATOM 392 CG2 VAL A 739 -2.763 2.056 -6.796 1.00 0.00 C ATOM 0 H VAL A 739 -5.470 3.137 -8.703 1.00 0.00 H new ATOM 0 HA VAL A 739 -3.416 4.893 -8.388 1.00 0.00 H new ATOM 0 HB VAL A 739 -3.330 4.046 -6.312 1.00 0.00 H new ATOM 0 HG11 VAL A 739 -5.119 2.556 -5.601 1.00 0.00 H new ATOM 0 HG12 VAL A 739 -5.686 3.843 -6.691 1.00 0.00 H new ATOM 0 HG13 VAL A 739 -5.475 2.185 -7.305 1.00 0.00 H new ATOM 0 HG21 VAL A 739 -2.873 1.682 -5.778 1.00 0.00 H new ATOM 0 HG22 VAL A 739 -3.046 1.276 -7.502 1.00 0.00 H new ATOM 0 HG23 VAL A 739 -1.725 2.341 -6.968 1.00 0.00 H new ATOM 402 N LYS A 740 -2.417 2.036 -9.675 1.00 0.00 N ATOM 403 CA LYS A 740 -1.281 1.395 -10.299 1.00 0.00 C ATOM 404 C LYS A 740 -1.062 1.926 -11.695 1.00 0.00 C ATOM 405 O LYS A 740 0.059 1.931 -12.192 1.00 0.00 O ATOM 406 CB LYS A 740 -1.379 -0.101 -10.252 1.00 0.00 C ATOM 407 CG LYS A 740 -1.643 -0.789 -11.546 1.00 0.00 C ATOM 408 CD LYS A 740 -3.103 -1.201 -11.717 1.00 0.00 C ATOM 409 CE LYS A 740 -3.508 -2.367 -10.818 1.00 0.00 C ATOM 410 NZ LYS A 740 -2.357 -2.931 -10.058 1.00 0.00 N ATOM 0 H LYS A 740 -3.296 1.523 -9.746 1.00 0.00 H new ATOM 0 HA LYS A 740 -0.394 1.649 -9.719 1.00 0.00 H new ATOM 0 HB2 LYS A 740 -0.448 -0.491 -9.841 1.00 0.00 H new ATOM 0 HB3 LYS A 740 -2.172 -0.370 -9.554 1.00 0.00 H new ATOM 0 HG2 LYS A 740 -1.359 -0.129 -12.366 1.00 0.00 H new ATOM 0 HG3 LYS A 740 -1.011 -1.674 -11.616 1.00 0.00 H new ATOM 0 HD2 LYS A 740 -3.743 -0.345 -11.502 1.00 0.00 H new ATOM 0 HD3 LYS A 740 -3.277 -1.475 -12.757 1.00 0.00 H new ATOM 0 HE2 LYS A 740 -4.272 -2.032 -10.117 1.00 0.00 H new ATOM 0 HE3 LYS A 740 -3.956 -3.152 -11.427 1.00 0.00 H new ATOM 0 HZ1 LYS A 740 -2.683 -3.730 -9.477 1.00 0.00 H new ATOM 0 HZ2 LYS A 740 -1.630 -3.261 -10.724 1.00 0.00 H new ATOM 0 HZ3 LYS A 740 -1.954 -2.196 -9.442 1.00 0.00 H new ATOM 424 N SER A 741 -2.134 2.362 -12.341 1.00 0.00 N ATOM 425 CA SER A 741 -1.994 2.955 -13.651 1.00 0.00 C ATOM 426 C SER A 741 -1.401 4.335 -13.468 1.00 0.00 C ATOM 427 O SER A 741 -1.043 5.020 -14.426 1.00 0.00 O ATOM 428 CB SER A 741 -3.334 3.045 -14.373 1.00 0.00 C ATOM 429 OG SER A 741 -4.178 4.011 -13.770 1.00 0.00 O ATOM 0 H SER A 741 -3.088 2.316 -11.984 1.00 0.00 H new ATOM 0 HA SER A 741 -1.345 2.332 -14.267 1.00 0.00 H new ATOM 0 HB2 SER A 741 -3.170 3.304 -15.419 1.00 0.00 H new ATOM 0 HB3 SER A 741 -3.824 2.071 -14.359 1.00 0.00 H new ATOM 0 HG SER A 741 -3.917 4.135 -12.834 1.00 0.00 H new ATOM 435 N HIS A 742 -1.308 4.724 -12.199 1.00 0.00 N ATOM 436 CA HIS A 742 -0.760 6.006 -11.818 1.00 0.00 C ATOM 437 C HIS A 742 0.706 6.106 -12.234 1.00 0.00 C ATOM 438 O HIS A 742 1.462 5.140 -12.158 1.00 0.00 O ATOM 439 CB HIS A 742 -0.910 6.210 -10.301 1.00 0.00 C ATOM 440 CG HIS A 742 -0.518 7.574 -9.826 1.00 0.00 C ATOM 441 ND1 HIS A 742 0.421 8.360 -10.453 1.00 0.00 N ATOM 442 CD2 HIS A 742 -0.955 8.294 -8.776 1.00 0.00 C ATOM 443 CE1 HIS A 742 0.546 9.498 -9.812 1.00 0.00 C ATOM 444 NE2 HIS A 742 -0.281 9.489 -8.787 1.00 0.00 N ATOM 0 H HIS A 742 -1.613 4.153 -11.411 1.00 0.00 H new ATOM 0 HA HIS A 742 -1.312 6.793 -12.332 1.00 0.00 H new ATOM 0 HB2 HIS A 742 -1.947 6.024 -10.021 1.00 0.00 H new ATOM 0 HB3 HIS A 742 -0.302 5.468 -9.784 1.00 0.00 H new ATOM 0 HD2 HIS A 742 -1.700 7.987 -8.057 1.00 0.00 H new ATOM 0 HE1 HIS A 742 1.213 10.304 -10.079 1.00 0.00 H new ATOM 0 HE2 HIS A 742 -0.401 10.245 -8.113 1.00 0.00 H new ATOM 453 N GLN A 743 1.074 7.284 -12.696 1.00 0.00 N ATOM 454 CA GLN A 743 2.424 7.587 -13.134 1.00 0.00 C ATOM 455 C GLN A 743 3.441 7.444 -12.007 1.00 0.00 C ATOM 456 O GLN A 743 4.646 7.451 -12.237 1.00 0.00 O ATOM 457 CB GLN A 743 2.413 9.003 -13.644 1.00 0.00 C ATOM 458 CG GLN A 743 3.576 9.323 -14.546 1.00 0.00 C ATOM 459 CD GLN A 743 3.600 10.775 -14.983 1.00 0.00 C ATOM 460 OE1 GLN A 743 3.033 11.133 -16.015 1.00 0.00 O ATOM 461 NE2 GLN A 743 4.255 11.619 -14.196 1.00 0.00 N ATOM 0 H GLN A 743 0.433 8.073 -12.780 1.00 0.00 H new ATOM 0 HA GLN A 743 2.723 6.882 -13.910 1.00 0.00 H new ATOM 0 HB2 GLN A 743 1.484 9.179 -14.186 1.00 0.00 H new ATOM 0 HB3 GLN A 743 2.422 9.687 -12.795 1.00 0.00 H new ATOM 0 HG2 GLN A 743 4.506 9.089 -14.028 1.00 0.00 H new ATOM 0 HG3 GLN A 743 3.532 8.684 -15.428 1.00 0.00 H new ATOM 0 HE21 GLN A 743 4.711 11.278 -13.350 1.00 0.00 H new ATOM 0 HE22 GLN A 743 4.303 12.609 -14.437 1.00 0.00 H new ATOM 470 N SER A 744 2.936 7.349 -10.792 1.00 0.00 N ATOM 471 CA SER A 744 3.777 7.185 -9.603 1.00 0.00 C ATOM 472 C SER A 744 3.688 5.768 -9.092 1.00 0.00 C ATOM 473 O SER A 744 4.155 5.449 -8.000 1.00 0.00 O ATOM 474 CB SER A 744 3.336 8.146 -8.493 1.00 0.00 C ATOM 475 OG SER A 744 3.954 9.414 -8.632 1.00 0.00 O ATOM 0 H SER A 744 1.936 7.382 -10.593 1.00 0.00 H new ATOM 0 HA SER A 744 4.806 7.409 -9.884 1.00 0.00 H new ATOM 0 HB2 SER A 744 2.253 8.263 -8.520 1.00 0.00 H new ATOM 0 HB3 SER A 744 3.587 7.722 -7.521 1.00 0.00 H new ATOM 0 HG SER A 744 4.924 9.298 -8.710 1.00 0.00 H new ATOM 481 N ALA A 745 3.078 4.928 -9.892 1.00 0.00 N ATOM 482 CA ALA A 745 2.869 3.550 -9.519 1.00 0.00 C ATOM 483 C ALA A 745 3.841 2.569 -10.162 1.00 0.00 C ATOM 484 O ALA A 745 3.772 1.387 -9.871 1.00 0.00 O ATOM 485 CB ALA A 745 1.452 3.173 -9.887 1.00 0.00 C ATOM 0 H ALA A 745 2.715 5.177 -10.812 1.00 0.00 H new ATOM 0 HA ALA A 745 3.048 3.478 -8.446 1.00 0.00 H new ATOM 0 HB1 ALA A 745 1.270 2.134 -9.614 1.00 0.00 H new ATOM 0 HB2 ALA A 745 0.754 3.817 -9.352 1.00 0.00 H new ATOM 0 HB3 ALA A 745 1.310 3.297 -10.961 1.00 0.00 H new ATOM 491 N TRP A 746 4.741 3.024 -11.019 1.00 0.00 N ATOM 492 CA TRP A 746 5.651 2.086 -11.675 1.00 0.00 C ATOM 493 C TRP A 746 6.603 1.364 -10.708 1.00 0.00 C ATOM 494 O TRP A 746 6.948 0.209 -10.961 1.00 0.00 O ATOM 495 CB TRP A 746 6.420 2.746 -12.813 1.00 0.00 C ATOM 496 CG TRP A 746 6.995 4.077 -12.477 1.00 0.00 C ATOM 497 CD1 TRP A 746 6.405 5.290 -12.657 1.00 0.00 C ATOM 498 CD2 TRP A 746 8.277 4.330 -11.904 1.00 0.00 C ATOM 499 NE1 TRP A 746 7.256 6.291 -12.261 1.00 0.00 N ATOM 500 CE2 TRP A 746 8.411 5.725 -11.789 1.00 0.00 C ATOM 501 CE3 TRP A 746 9.330 3.512 -11.481 1.00 0.00 C ATOM 502 CZ2 TRP A 746 9.552 6.318 -11.274 1.00 0.00 C ATOM 503 CZ3 TRP A 746 10.461 4.104 -10.961 1.00 0.00 C ATOM 504 CH2 TRP A 746 10.563 5.495 -10.865 1.00 0.00 C ATOM 0 H TRP A 746 4.864 4.004 -11.274 1.00 0.00 H new ATOM 0 HA TRP A 746 5.010 1.313 -12.098 1.00 0.00 H new ATOM 0 HB2 TRP A 746 7.228 2.083 -13.122 1.00 0.00 H new ATOM 0 HB3 TRP A 746 5.754 2.857 -13.669 1.00 0.00 H new ATOM 0 HD1 TRP A 746 5.412 5.443 -13.054 1.00 0.00 H new ATOM 0 HE1 TRP A 746 7.061 7.291 -12.310 1.00 0.00 H new ATOM 0 HE3 TRP A 746 9.258 2.437 -11.560 1.00 0.00 H new ATOM 0 HZ2 TRP A 746 9.639 7.392 -11.199 1.00 0.00 H new ATOM 0 HZ3 TRP A 746 11.279 3.485 -10.623 1.00 0.00 H new ATOM 0 HH2 TRP A 746 11.464 5.930 -10.457 1.00 0.00 H new ATOM 515 N PRO A 747 7.054 1.988 -9.595 1.00 0.00 N ATOM 516 CA PRO A 747 7.932 1.301 -8.653 1.00 0.00 C ATOM 517 C PRO A 747 7.149 0.276 -7.864 1.00 0.00 C ATOM 518 O PRO A 747 7.715 -0.557 -7.151 1.00 0.00 O ATOM 519 CB PRO A 747 8.420 2.399 -7.705 1.00 0.00 C ATOM 520 CG PRO A 747 7.824 3.679 -8.171 1.00 0.00 C ATOM 521 CD PRO A 747 6.742 3.355 -9.146 1.00 0.00 C ATOM 0 HA PRO A 747 8.747 0.782 -9.158 1.00 0.00 H new ATOM 0 HB2 PRO A 747 8.118 2.185 -6.680 1.00 0.00 H new ATOM 0 HB3 PRO A 747 9.508 2.457 -7.711 1.00 0.00 H new ATOM 0 HG2 PRO A 747 7.422 4.241 -7.328 1.00 0.00 H new ATOM 0 HG3 PRO A 747 8.584 4.305 -8.639 1.00 0.00 H new ATOM 0 HD2 PRO A 747 5.758 3.406 -8.680 1.00 0.00 H new ATOM 0 HD3 PRO A 747 6.736 4.056 -9.981 1.00 0.00 H new ATOM 529 N PHE A 748 5.828 0.364 -7.996 1.00 0.00 N ATOM 530 CA PHE A 748 4.922 -0.505 -7.272 1.00 0.00 C ATOM 531 C PHE A 748 4.096 -1.374 -8.224 1.00 0.00 C ATOM 532 O PHE A 748 3.530 -2.379 -7.819 1.00 0.00 O ATOM 533 CB PHE A 748 3.998 0.339 -6.377 1.00 0.00 C ATOM 534 CG PHE A 748 4.585 1.635 -5.886 1.00 0.00 C ATOM 535 CD1 PHE A 748 5.926 1.760 -5.646 1.00 0.00 C ATOM 536 CD2 PHE A 748 3.784 2.732 -5.664 1.00 0.00 C ATOM 537 CE1 PHE A 748 6.468 2.944 -5.199 1.00 0.00 C ATOM 538 CE2 PHE A 748 4.331 3.918 -5.209 1.00 0.00 C ATOM 539 CZ PHE A 748 5.665 4.016 -4.980 1.00 0.00 C ATOM 0 H PHE A 748 5.364 1.037 -8.605 1.00 0.00 H new ATOM 0 HA PHE A 748 5.516 -1.174 -6.650 1.00 0.00 H new ATOM 0 HB2 PHE A 748 3.086 0.559 -6.931 1.00 0.00 H new ATOM 0 HB3 PHE A 748 3.710 -0.260 -5.513 1.00 0.00 H new ATOM 0 HD1 PHE A 748 6.574 0.911 -5.811 1.00 0.00 H new ATOM 0 HD2 PHE A 748 2.722 2.666 -5.846 1.00 0.00 H new ATOM 0 HE1 PHE A 748 7.531 3.020 -5.023 1.00 0.00 H new ATOM 0 HE2 PHE A 748 3.693 4.771 -5.035 1.00 0.00 H new ATOM 0 HZ PHE A 748 6.087 4.945 -4.624 1.00 0.00 H new ATOM 549 N MET A 749 4.041 -0.979 -9.496 1.00 0.00 N ATOM 550 CA MET A 749 3.252 -1.693 -10.510 1.00 0.00 C ATOM 551 C MET A 749 3.427 -3.196 -10.415 1.00 0.00 C ATOM 552 O MET A 749 2.527 -3.964 -10.754 1.00 0.00 O ATOM 553 CB MET A 749 3.629 -1.221 -11.902 1.00 0.00 C ATOM 554 CG MET A 749 2.728 -0.112 -12.350 1.00 0.00 C ATOM 555 SD MET A 749 3.345 0.812 -13.754 1.00 0.00 S ATOM 556 CE MET A 749 2.656 2.382 -13.284 1.00 0.00 C ATOM 0 H MET A 749 4.536 -0.162 -9.854 1.00 0.00 H new ATOM 0 HA MET A 749 2.203 -1.466 -10.318 1.00 0.00 H new ATOM 0 HB2 MET A 749 4.664 -0.879 -11.907 1.00 0.00 H new ATOM 0 HB3 MET A 749 3.565 -2.053 -12.603 1.00 0.00 H new ATOM 0 HG2 MET A 749 1.754 -0.530 -12.604 1.00 0.00 H new ATOM 0 HG3 MET A 749 2.573 0.574 -11.517 1.00 0.00 H new ATOM 0 HE1 MET A 749 1.824 2.626 -13.944 1.00 0.00 H new ATOM 0 HE2 MET A 749 2.300 2.330 -12.255 1.00 0.00 H new ATOM 0 HE3 MET A 749 3.421 3.154 -13.364 1.00 0.00 H new ATOM 566 N GLU A 750 4.592 -3.600 -9.952 1.00 0.00 N ATOM 567 CA GLU A 750 4.915 -5.002 -9.809 1.00 0.00 C ATOM 568 C GLU A 750 5.877 -5.214 -8.644 1.00 0.00 C ATOM 569 O GLU A 750 6.487 -4.264 -8.153 1.00 0.00 O ATOM 570 CB GLU A 750 5.528 -5.510 -11.107 1.00 0.00 C ATOM 571 CG GLU A 750 4.507 -6.019 -12.108 1.00 0.00 C ATOM 572 CD GLU A 750 5.147 -6.733 -13.283 1.00 0.00 C ATOM 573 OE1 GLU A 750 5.554 -6.047 -14.245 1.00 0.00 O ATOM 574 OE2 GLU A 750 5.242 -7.977 -13.241 1.00 0.00 O ATOM 0 H GLU A 750 5.339 -2.967 -9.665 1.00 0.00 H new ATOM 0 HA GLU A 750 4.004 -5.561 -9.598 1.00 0.00 H new ATOM 0 HB2 GLU A 750 6.103 -4.706 -11.566 1.00 0.00 H new ATOM 0 HB3 GLU A 750 6.229 -6.312 -10.877 1.00 0.00 H new ATOM 0 HG2 GLU A 750 3.819 -6.699 -11.606 1.00 0.00 H new ATOM 0 HG3 GLU A 750 3.915 -5.181 -12.476 1.00 0.00 H new ATOM 581 N PRO A 751 6.026 -6.469 -8.186 1.00 0.00 N ATOM 582 CA PRO A 751 6.908 -6.805 -7.069 1.00 0.00 C ATOM 583 C PRO A 751 8.374 -6.616 -7.427 1.00 0.00 C ATOM 584 O PRO A 751 8.792 -6.952 -8.536 1.00 0.00 O ATOM 585 CB PRO A 751 6.617 -8.284 -6.802 1.00 0.00 C ATOM 586 CG PRO A 751 5.359 -8.566 -7.534 1.00 0.00 C ATOM 587 CD PRO A 751 5.362 -7.658 -8.715 1.00 0.00 C ATOM 0 HA PRO A 751 6.729 -6.164 -6.206 1.00 0.00 H new ATOM 0 HB2 PRO A 751 7.431 -8.917 -7.157 1.00 0.00 H new ATOM 0 HB3 PRO A 751 6.505 -8.478 -5.735 1.00 0.00 H new ATOM 0 HG2 PRO A 751 5.313 -9.610 -7.844 1.00 0.00 H new ATOM 0 HG3 PRO A 751 4.490 -8.382 -6.902 1.00 0.00 H new ATOM 0 HD2 PRO A 751 5.905 -8.087 -9.557 1.00 0.00 H new ATOM 0 HD3 PRO A 751 4.353 -7.440 -9.064 1.00 0.00 H new ATOM 595 N VAL A 752 9.158 -6.083 -6.497 1.00 0.00 N ATOM 596 CA VAL A 752 10.561 -5.867 -6.738 1.00 0.00 C ATOM 597 C VAL A 752 11.289 -7.202 -6.880 1.00 0.00 C ATOM 598 O VAL A 752 10.797 -8.237 -6.431 1.00 0.00 O ATOM 599 CB VAL A 752 11.153 -5.025 -5.594 1.00 0.00 C ATOM 600 CG1 VAL A 752 10.616 -5.448 -4.251 1.00 0.00 C ATOM 601 CG2 VAL A 752 12.652 -5.076 -5.561 1.00 0.00 C ATOM 0 H VAL A 752 8.837 -5.796 -5.573 1.00 0.00 H new ATOM 0 HA VAL A 752 10.690 -5.322 -7.673 1.00 0.00 H new ATOM 0 HB VAL A 752 10.846 -3.999 -5.796 1.00 0.00 H new ATOM 0 HG11 VAL A 752 11.059 -4.829 -3.471 1.00 0.00 H new ATOM 0 HG12 VAL A 752 9.533 -5.328 -4.238 1.00 0.00 H new ATOM 0 HG13 VAL A 752 10.868 -6.493 -4.071 1.00 0.00 H new ATOM 0 HG21 VAL A 752 13.019 -4.466 -4.736 1.00 0.00 H new ATOM 0 HG22 VAL A 752 12.978 -6.107 -5.423 1.00 0.00 H new ATOM 0 HG23 VAL A 752 13.050 -4.693 -6.501 1.00 0.00 H new ATOM 611 N LYS A 753 12.464 -7.170 -7.504 1.00 0.00 N ATOM 612 CA LYS A 753 13.255 -8.382 -7.714 1.00 0.00 C ATOM 613 C LYS A 753 13.777 -8.894 -6.392 1.00 0.00 C ATOM 614 O LYS A 753 14.541 -9.859 -6.346 1.00 0.00 O ATOM 615 CB LYS A 753 14.450 -8.111 -8.633 1.00 0.00 C ATOM 616 CG LYS A 753 14.063 -7.470 -9.953 1.00 0.00 C ATOM 617 CD LYS A 753 13.717 -8.512 -11.004 1.00 0.00 C ATOM 618 CE LYS A 753 13.314 -7.862 -12.318 1.00 0.00 C ATOM 619 NZ LYS A 753 12.104 -7.009 -12.167 1.00 0.00 N ATOM 0 H LYS A 753 12.890 -6.320 -7.873 1.00 0.00 H new ATOM 0 HA LYS A 753 12.605 -9.123 -8.179 1.00 0.00 H new ATOM 0 HB2 LYS A 753 15.157 -7.462 -8.116 1.00 0.00 H new ATOM 0 HB3 LYS A 753 14.966 -9.050 -8.831 1.00 0.00 H new ATOM 0 HG2 LYS A 753 13.209 -6.810 -9.800 1.00 0.00 H new ATOM 0 HG3 LYS A 753 14.885 -6.851 -10.312 1.00 0.00 H new ATOM 0 HD2 LYS A 753 14.574 -9.165 -11.167 1.00 0.00 H new ATOM 0 HD3 LYS A 753 12.903 -9.140 -10.642 1.00 0.00 H new ATOM 0 HE2 LYS A 753 14.140 -7.257 -12.692 1.00 0.00 H new ATOM 0 HE3 LYS A 753 13.122 -8.635 -13.062 1.00 0.00 H new ATOM 0 HZ1 LYS A 753 11.713 -6.791 -13.106 1.00 0.00 H new ATOM 0 HZ2 LYS A 753 11.391 -7.515 -11.604 1.00 0.00 H new ATOM 0 HZ3 LYS A 753 12.361 -6.124 -11.685 1.00 0.00 H new ATOM 633 N ARG A 754 13.366 -8.231 -5.318 1.00 0.00 N ATOM 634 CA ARG A 754 13.822 -8.579 -3.993 1.00 0.00 C ATOM 635 C ARG A 754 15.316 -8.310 -3.912 1.00 0.00 C ATOM 636 O ARG A 754 15.941 -8.518 -2.874 1.00 0.00 O ATOM 637 CB ARG A 754 13.515 -10.047 -3.683 1.00 0.00 C ATOM 638 CG ARG A 754 13.553 -10.387 -2.206 1.00 0.00 C ATOM 639 CD ARG A 754 14.844 -11.093 -1.818 1.00 0.00 C ATOM 640 NE ARG A 754 14.865 -11.449 -0.403 1.00 0.00 N ATOM 641 CZ ARG A 754 15.969 -11.769 0.266 1.00 0.00 C ATOM 642 NH1 ARG A 754 17.143 -11.788 -0.353 1.00 0.00 N ATOM 643 NH2 ARG A 754 15.900 -12.073 1.554 1.00 0.00 N ATOM 0 H ARG A 754 12.714 -7.447 -5.347 1.00 0.00 H new ATOM 0 HA ARG A 754 13.300 -7.974 -3.252 1.00 0.00 H new ATOM 0 HB2 ARG A 754 12.528 -10.292 -4.076 1.00 0.00 H new ATOM 0 HB3 ARG A 754 14.233 -10.676 -4.209 1.00 0.00 H new ATOM 0 HG2 ARG A 754 13.449 -9.473 -1.621 1.00 0.00 H new ATOM 0 HG3 ARG A 754 12.703 -11.023 -1.958 1.00 0.00 H new ATOM 0 HD2 ARG A 754 14.961 -11.994 -2.421 1.00 0.00 H new ATOM 0 HD3 ARG A 754 15.693 -10.447 -2.043 1.00 0.00 H new ATOM 0 HE ARG A 754 13.980 -11.453 0.103 1.00 0.00 H new ATOM 0 HH11 ARG A 754 17.200 -11.557 -1.345 1.00 0.00 H new ATOM 0 HH12 ARG A 754 17.988 -12.034 0.163 1.00 0.00 H new ATOM 0 HH21 ARG A 754 15.000 -12.062 2.033 1.00 0.00 H new ATOM 0 HH22 ARG A 754 16.747 -12.318 2.066 1.00 0.00 H new ATOM 657 N THR A 755 15.884 -7.824 -5.024 1.00 0.00 N ATOM 658 CA THR A 755 17.306 -7.542 -5.069 1.00 0.00 C ATOM 659 C THR A 755 17.646 -6.252 -5.816 1.00 0.00 C ATOM 660 O THR A 755 18.709 -5.682 -5.568 1.00 0.00 O ATOM 661 CB THR A 755 18.109 -8.703 -5.672 1.00 0.00 C ATOM 662 OG1 THR A 755 17.989 -8.694 -7.099 1.00 0.00 O ATOM 663 CG2 THR A 755 17.630 -10.041 -5.129 1.00 0.00 C ATOM 0 H THR A 755 15.380 -7.624 -5.888 1.00 0.00 H new ATOM 0 HA THR A 755 17.594 -7.411 -4.026 1.00 0.00 H new ATOM 0 HB THR A 755 19.154 -8.571 -5.392 1.00 0.00 H new ATOM 0 HG1 THR A 755 18.506 -9.437 -7.475 1.00 0.00 H new ATOM 0 HG21 THR A 755 18.217 -10.845 -5.573 1.00 0.00 H new ATOM 0 HG22 THR A 755 17.752 -10.059 -4.046 1.00 0.00 H new ATOM 0 HG23 THR A 755 16.578 -10.179 -5.378 1.00 0.00 H new ATOM 671 N GLU A 756 16.785 -5.774 -6.737 1.00 0.00 N ATOM 672 CA GLU A 756 17.093 -4.495 -7.384 1.00 0.00 C ATOM 673 C GLU A 756 17.140 -3.539 -6.241 1.00 0.00 C ATOM 674 O GLU A 756 17.758 -2.473 -6.246 1.00 0.00 O ATOM 675 CB GLU A 756 16.031 -4.014 -8.362 1.00 0.00 C ATOM 676 CG GLU A 756 14.710 -4.704 -8.213 1.00 0.00 C ATOM 677 CD GLU A 756 13.590 -4.005 -8.959 1.00 0.00 C ATOM 678 OE1 GLU A 756 13.834 -3.529 -10.088 1.00 0.00 O ATOM 679 OE2 GLU A 756 12.468 -3.932 -8.415 1.00 0.00 O ATOM 0 H GLU A 756 15.921 -6.227 -7.033 1.00 0.00 H new ATOM 0 HA GLU A 756 18.006 -4.583 -7.973 1.00 0.00 H new ATOM 0 HB2 GLU A 756 15.887 -2.942 -8.228 1.00 0.00 H new ATOM 0 HB3 GLU A 756 16.394 -4.162 -9.379 1.00 0.00 H new ATOM 0 HG2 GLU A 756 14.798 -5.728 -8.577 1.00 0.00 H new ATOM 0 HG3 GLU A 756 14.454 -4.762 -7.155 1.00 0.00 H new ATOM 686 N ALA A 757 16.424 -4.025 -5.261 1.00 0.00 N ATOM 687 CA ALA A 757 16.221 -3.448 -3.996 1.00 0.00 C ATOM 688 C ALA A 757 17.059 -4.229 -3.008 1.00 0.00 C ATOM 689 O ALA A 757 16.651 -5.269 -2.490 1.00 0.00 O ATOM 690 CB ALA A 757 14.768 -3.581 -3.751 1.00 0.00 C ATOM 0 H ALA A 757 15.933 -4.914 -5.356 1.00 0.00 H new ATOM 0 HA ALA A 757 16.513 -2.401 -3.912 1.00 0.00 H new ATOM 0 HB1 ALA A 757 14.522 -3.153 -2.779 1.00 0.00 H new ATOM 0 HB2 ALA A 757 14.218 -3.053 -4.530 1.00 0.00 H new ATOM 0 HB3 ALA A 757 14.492 -4.635 -3.764 1.00 0.00 H new ATOM 696 N PRO A 758 18.254 -3.720 -2.767 1.00 0.00 N ATOM 697 CA PRO A 758 19.242 -4.352 -1.900 1.00 0.00 C ATOM 698 C PRO A 758 18.759 -4.452 -0.476 1.00 0.00 C ATOM 699 O PRO A 758 18.499 -3.440 0.177 1.00 0.00 O ATOM 700 CB PRO A 758 20.446 -3.423 -2.011 1.00 0.00 C ATOM 701 CG PRO A 758 19.864 -2.115 -2.415 1.00 0.00 C ATOM 702 CD PRO A 758 18.701 -2.426 -3.275 1.00 0.00 C ATOM 0 HA PRO A 758 19.461 -5.379 -2.192 1.00 0.00 H new ATOM 0 HB2 PRO A 758 20.978 -3.346 -1.063 1.00 0.00 H new ATOM 0 HB3 PRO A 758 21.161 -3.785 -2.749 1.00 0.00 H new ATOM 0 HG2 PRO A 758 19.559 -1.539 -1.542 1.00 0.00 H new ATOM 0 HG3 PRO A 758 20.596 -1.513 -2.954 1.00 0.00 H new ATOM 0 HD2 PRO A 758 17.922 -1.668 -3.190 1.00 0.00 H new ATOM 0 HD3 PRO A 758 18.980 -2.480 -4.327 1.00 0.00 H new ATOM 710 N GLY A 759 18.645 -5.679 0.004 1.00 0.00 N ATOM 711 CA GLY A 759 18.159 -5.886 1.340 1.00 0.00 C ATOM 712 C GLY A 759 16.810 -5.234 1.515 1.00 0.00 C ATOM 713 O GLY A 759 16.384 -4.970 2.636 1.00 0.00 O ATOM 0 H GLY A 759 18.880 -6.529 -0.509 1.00 0.00 H new ATOM 0 HA2 GLY A 759 18.083 -6.954 1.545 1.00 0.00 H new ATOM 0 HA3 GLY A 759 18.866 -5.473 2.059 1.00 0.00 H new ATOM 717 N TYR A 760 16.141 -4.951 0.393 1.00 0.00 N ATOM 718 CA TYR A 760 14.832 -4.328 0.431 1.00 0.00 C ATOM 719 C TYR A 760 13.892 -5.125 1.310 1.00 0.00 C ATOM 720 O TYR A 760 13.204 -4.569 2.148 1.00 0.00 O ATOM 721 CB TYR A 760 14.342 -4.200 -0.997 1.00 0.00 C ATOM 722 CG TYR A 760 12.933 -3.695 -1.194 1.00 0.00 C ATOM 723 CD1 TYR A 760 11.863 -4.457 -0.855 1.00 0.00 C ATOM 724 CD2 TYR A 760 12.683 -2.445 -1.747 1.00 0.00 C ATOM 725 CE1 TYR A 760 10.600 -3.998 -1.045 1.00 0.00 C ATOM 726 CE2 TYR A 760 11.411 -1.978 -1.935 1.00 0.00 C ATOM 727 CZ TYR A 760 10.366 -2.763 -1.581 1.00 0.00 C ATOM 728 OH TYR A 760 9.076 -2.323 -1.765 1.00 0.00 O ATOM 0 H TYR A 760 16.490 -5.146 -0.545 1.00 0.00 H new ATOM 0 HA TYR A 760 14.880 -3.333 0.874 1.00 0.00 H new ATOM 0 HB2 TYR A 760 15.019 -3.532 -1.529 1.00 0.00 H new ATOM 0 HB3 TYR A 760 14.421 -5.178 -1.472 1.00 0.00 H new ATOM 0 HD1 TYR A 760 12.018 -5.438 -0.430 1.00 0.00 H new ATOM 0 HD2 TYR A 760 13.518 -1.824 -2.037 1.00 0.00 H new ATOM 0 HE1 TYR A 760 9.763 -4.621 -0.767 1.00 0.00 H new ATOM 0 HE2 TYR A 760 11.243 -0.999 -2.359 1.00 0.00 H new ATOM 0 HH TYR A 760 8.977 -1.428 -1.378 1.00 0.00 H new ATOM 738 N TYR A 761 13.891 -6.429 1.136 1.00 0.00 N ATOM 739 CA TYR A 761 13.039 -7.301 1.941 1.00 0.00 C ATOM 740 C TYR A 761 13.376 -7.215 3.430 1.00 0.00 C ATOM 741 O TYR A 761 12.583 -7.624 4.278 1.00 0.00 O ATOM 742 CB TYR A 761 13.129 -8.742 1.451 1.00 0.00 C ATOM 743 CG TYR A 761 11.999 -9.092 0.524 1.00 0.00 C ATOM 744 CD1 TYR A 761 11.725 -8.277 -0.554 1.00 0.00 C ATOM 745 CD2 TYR A 761 11.189 -10.198 0.743 1.00 0.00 C ATOM 746 CE1 TYR A 761 10.678 -8.548 -1.404 1.00 0.00 C ATOM 747 CE2 TYR A 761 10.138 -10.486 -0.108 1.00 0.00 C ATOM 748 CZ TYR A 761 9.885 -9.656 -1.182 1.00 0.00 C ATOM 749 OH TYR A 761 8.839 -9.933 -2.030 1.00 0.00 O ATOM 0 H TYR A 761 14.466 -6.915 0.448 1.00 0.00 H new ATOM 0 HA TYR A 761 12.013 -6.954 1.820 1.00 0.00 H new ATOM 0 HB2 TYR A 761 14.079 -8.892 0.938 1.00 0.00 H new ATOM 0 HB3 TYR A 761 13.119 -9.417 2.307 1.00 0.00 H new ATOM 0 HD1 TYR A 761 12.344 -7.410 -0.734 1.00 0.00 H new ATOM 0 HD2 TYR A 761 11.382 -10.841 1.589 1.00 0.00 H new ATOM 0 HE1 TYR A 761 10.477 -7.897 -2.242 1.00 0.00 H new ATOM 0 HE2 TYR A 761 9.519 -11.354 0.066 1.00 0.00 H new ATOM 0 HH TYR A 761 8.384 -10.748 -1.732 1.00 0.00 H new ATOM 759 N GLU A 762 14.552 -6.685 3.740 1.00 0.00 N ATOM 760 CA GLU A 762 14.997 -6.546 5.127 1.00 0.00 C ATOM 761 C GLU A 762 14.355 -5.323 5.770 1.00 0.00 C ATOM 762 O GLU A 762 13.839 -5.377 6.888 1.00 0.00 O ATOM 763 CB GLU A 762 16.523 -6.426 5.172 1.00 0.00 C ATOM 764 CG GLU A 762 17.019 -5.071 5.647 1.00 0.00 C ATOM 765 CD GLU A 762 18.500 -5.071 5.970 1.00 0.00 C ATOM 766 OE1 GLU A 762 19.294 -5.506 5.110 1.00 0.00 O ATOM 767 OE2 GLU A 762 18.865 -4.645 7.084 1.00 0.00 O ATOM 0 H GLU A 762 15.220 -6.342 3.049 1.00 0.00 H new ATOM 0 HA GLU A 762 14.692 -7.431 5.686 1.00 0.00 H new ATOM 0 HB2 GLU A 762 16.919 -7.199 5.831 1.00 0.00 H new ATOM 0 HB3 GLU A 762 16.923 -6.620 4.177 1.00 0.00 H new ATOM 0 HG2 GLU A 762 16.819 -4.325 4.878 1.00 0.00 H new ATOM 0 HG3 GLU A 762 16.458 -4.773 6.533 1.00 0.00 H new ATOM 774 N VAL A 763 14.401 -4.226 5.036 1.00 0.00 N ATOM 775 CA VAL A 763 13.848 -2.960 5.467 1.00 0.00 C ATOM 776 C VAL A 763 12.360 -3.011 5.319 1.00 0.00 C ATOM 777 O VAL A 763 11.598 -2.475 6.125 1.00 0.00 O ATOM 778 CB VAL A 763 14.402 -1.800 4.599 1.00 0.00 C ATOM 779 CG1 VAL A 763 14.992 -2.290 3.301 1.00 0.00 C ATOM 780 CG2 VAL A 763 13.329 -0.833 4.236 1.00 0.00 C ATOM 0 H VAL A 763 14.830 -4.192 4.111 1.00 0.00 H new ATOM 0 HA VAL A 763 14.125 -2.785 6.506 1.00 0.00 H new ATOM 0 HB VAL A 763 15.170 -1.326 5.209 1.00 0.00 H new ATOM 0 HG11 VAL A 763 15.366 -1.442 2.728 1.00 0.00 H new ATOM 0 HG12 VAL A 763 15.812 -2.977 3.510 1.00 0.00 H new ATOM 0 HG13 VAL A 763 14.225 -2.807 2.725 1.00 0.00 H new ATOM 0 HG21 VAL A 763 13.751 -0.033 3.628 1.00 0.00 H new ATOM 0 HG22 VAL A 763 12.552 -1.347 3.671 1.00 0.00 H new ATOM 0 HG23 VAL A 763 12.898 -0.410 5.144 1.00 0.00 H new ATOM 790 N ILE A 764 11.977 -3.682 4.273 1.00 0.00 N ATOM 791 CA ILE A 764 10.608 -3.817 3.918 1.00 0.00 C ATOM 792 C ILE A 764 9.990 -5.063 4.512 1.00 0.00 C ATOM 793 O ILE A 764 9.992 -6.127 3.896 1.00 0.00 O ATOM 794 CB ILE A 764 10.484 -3.842 2.418 1.00 0.00 C ATOM 795 CG1 ILE A 764 11.202 -2.619 1.849 1.00 0.00 C ATOM 796 CG2 ILE A 764 9.033 -3.846 2.035 1.00 0.00 C ATOM 797 CD1 ILE A 764 10.365 -1.372 1.840 1.00 0.00 C ATOM 0 H ILE A 764 12.621 -4.155 3.638 1.00 0.00 H new ATOM 0 HA ILE A 764 10.066 -2.963 4.324 1.00 0.00 H new ATOM 0 HB ILE A 764 10.943 -4.743 2.010 1.00 0.00 H new ATOM 0 HG12 ILE A 764 12.104 -2.435 2.433 1.00 0.00 H new ATOM 0 HG13 ILE A 764 11.521 -2.838 0.830 1.00 0.00 H new ATOM 0 HG21 ILE A 764 8.943 -3.864 0.949 1.00 0.00 H new ATOM 0 HG22 ILE A 764 8.549 -4.728 2.454 1.00 0.00 H new ATOM 0 HG23 ILE A 764 8.552 -2.949 2.424 1.00 0.00 H new ATOM 0 HD11 ILE A 764 10.944 -0.548 1.422 1.00 0.00 H new ATOM 0 HD12 ILE A 764 9.475 -1.535 1.232 1.00 0.00 H new ATOM 0 HD13 ILE A 764 10.068 -1.126 2.859 1.00 0.00 H new ATOM 809 N ARG A 765 9.490 -4.927 5.724 1.00 0.00 N ATOM 810 CA ARG A 765 8.848 -6.033 6.404 1.00 0.00 C ATOM 811 C ARG A 765 7.724 -6.619 5.552 1.00 0.00 C ATOM 812 O ARG A 765 7.499 -7.830 5.568 1.00 0.00 O ATOM 813 CB ARG A 765 8.296 -5.574 7.757 1.00 0.00 C ATOM 814 CG ARG A 765 9.281 -5.680 8.899 1.00 0.00 C ATOM 815 CD ARG A 765 9.659 -7.120 9.175 1.00 0.00 C ATOM 816 NE ARG A 765 10.760 -7.572 8.328 1.00 0.00 N ATOM 817 CZ ARG A 765 11.361 -8.750 8.463 1.00 0.00 C ATOM 818 NH1 ARG A 765 10.958 -9.599 9.398 1.00 0.00 N ATOM 819 NH2 ARG A 765 12.363 -9.080 7.661 1.00 0.00 N ATOM 0 H ARG A 765 9.516 -4.059 6.259 1.00 0.00 H new ATOM 0 HA ARG A 765 9.595 -6.810 6.569 1.00 0.00 H new ATOM 0 HB2 ARG A 765 7.969 -4.538 7.670 1.00 0.00 H new ATOM 0 HB3 ARG A 765 7.414 -6.168 7.997 1.00 0.00 H new ATOM 0 HG2 ARG A 765 10.177 -5.107 8.662 1.00 0.00 H new ATOM 0 HG3 ARG A 765 8.848 -5.238 9.796 1.00 0.00 H new ATOM 0 HD2 ARG A 765 9.941 -7.226 10.222 1.00 0.00 H new ATOM 0 HD3 ARG A 765 8.791 -7.759 9.013 1.00 0.00 H new ATOM 0 HE ARG A 765 11.086 -6.948 7.590 1.00 0.00 H new ATOM 0 HH11 ARG A 765 10.186 -9.349 10.015 1.00 0.00 H new ATOM 0 HH12 ARG A 765 11.420 -10.502 9.500 1.00 0.00 H new ATOM 0 HH21 ARG A 765 12.674 -8.430 6.939 1.00 0.00 H new ATOM 0 HH22 ARG A 765 12.823 -9.984 7.766 1.00 0.00 H new ATOM 833 N PHE A 766 7.015 -5.764 4.804 1.00 0.00 N ATOM 834 CA PHE A 766 5.907 -6.238 3.974 1.00 0.00 C ATOM 835 C PHE A 766 5.928 -5.676 2.558 1.00 0.00 C ATOM 836 O PHE A 766 5.149 -4.778 2.235 1.00 0.00 O ATOM 837 CB PHE A 766 4.562 -5.881 4.606 1.00 0.00 C ATOM 838 CG PHE A 766 4.275 -6.574 5.895 1.00 0.00 C ATOM 839 CD1 PHE A 766 5.092 -6.358 6.970 1.00 0.00 C ATOM 840 CD2 PHE A 766 3.182 -7.411 6.038 1.00 0.00 C ATOM 841 CE1 PHE A 766 4.847 -6.959 8.184 1.00 0.00 C ATOM 842 CE2 PHE A 766 2.926 -8.026 7.247 1.00 0.00 C ATOM 843 CZ PHE A 766 3.761 -7.796 8.322 1.00 0.00 C ATOM 0 H PHE A 766 7.186 -4.760 4.758 1.00 0.00 H new ATOM 0 HA PHE A 766 6.034 -7.319 3.914 1.00 0.00 H new ATOM 0 HB2 PHE A 766 4.529 -4.804 4.773 1.00 0.00 H new ATOM 0 HB3 PHE A 766 3.769 -6.118 3.897 1.00 0.00 H new ATOM 0 HD1 PHE A 766 5.945 -5.704 6.865 1.00 0.00 H new ATOM 0 HD2 PHE A 766 2.525 -7.584 5.198 1.00 0.00 H new ATOM 0 HE1 PHE A 766 5.502 -6.776 9.023 1.00 0.00 H new ATOM 0 HE2 PHE A 766 2.076 -8.684 7.351 1.00 0.00 H new ATOM 0 HZ PHE A 766 3.563 -8.272 9.271 1.00 0.00 H new ATOM 853 N PRO A 767 6.813 -6.178 1.691 1.00 0.00 N ATOM 854 CA PRO A 767 6.877 -5.733 0.302 1.00 0.00 C ATOM 855 C PRO A 767 5.564 -5.868 -0.420 1.00 0.00 C ATOM 856 O PRO A 767 5.145 -6.975 -0.762 1.00 0.00 O ATOM 857 CB PRO A 767 7.884 -6.679 -0.316 1.00 0.00 C ATOM 858 CG PRO A 767 8.787 -6.992 0.810 1.00 0.00 C ATOM 859 CD PRO A 767 7.873 -7.155 1.991 1.00 0.00 C ATOM 0 HA PRO A 767 7.137 -4.677 0.237 1.00 0.00 H new ATOM 0 HB2 PRO A 767 7.405 -7.576 -0.710 1.00 0.00 H new ATOM 0 HB3 PRO A 767 8.419 -6.213 -1.144 1.00 0.00 H new ATOM 0 HG2 PRO A 767 9.357 -7.902 0.621 1.00 0.00 H new ATOM 0 HG3 PRO A 767 9.509 -6.192 0.974 1.00 0.00 H new ATOM 0 HD2 PRO A 767 7.483 -8.170 2.069 1.00 0.00 H new ATOM 0 HD3 PRO A 767 8.378 -6.934 2.932 1.00 0.00 H new ATOM 867 N MET A 768 4.911 -4.751 -0.654 1.00 0.00 N ATOM 868 CA MET A 768 3.665 -4.782 -1.369 1.00 0.00 C ATOM 869 C MET A 768 3.771 -3.985 -2.640 1.00 0.00 C ATOM 870 O MET A 768 4.505 -3.002 -2.725 1.00 0.00 O ATOM 871 CB MET A 768 2.512 -4.238 -0.541 1.00 0.00 C ATOM 872 CG MET A 768 1.138 -4.428 -1.188 1.00 0.00 C ATOM 873 SD MET A 768 1.007 -5.901 -2.204 1.00 0.00 S ATOM 874 CE MET A 768 1.294 -7.118 -0.956 1.00 0.00 C ATOM 0 H MET A 768 5.221 -3.824 -0.362 1.00 0.00 H new ATOM 0 HA MET A 768 3.459 -5.828 -1.596 1.00 0.00 H new ATOM 0 HB2 MET A 768 2.515 -4.728 0.433 1.00 0.00 H new ATOM 0 HB3 MET A 768 2.675 -3.175 -0.364 1.00 0.00 H new ATOM 0 HG2 MET A 768 0.382 -4.471 -0.404 1.00 0.00 H new ATOM 0 HG3 MET A 768 0.913 -3.555 -1.801 1.00 0.00 H new ATOM 0 HE1 MET A 768 2.274 -7.571 -1.108 1.00 0.00 H new ATOM 0 HE2 MET A 768 1.260 -6.647 0.026 1.00 0.00 H new ATOM 0 HE3 MET A 768 0.525 -7.888 -1.015 1.00 0.00 H new ATOM 884 N ASP A 769 3.037 -4.427 -3.627 1.00 0.00 N ATOM 885 CA ASP A 769 3.004 -3.768 -4.890 1.00 0.00 C ATOM 886 C ASP A 769 1.599 -3.800 -5.444 1.00 0.00 C ATOM 887 O ASP A 769 0.727 -4.481 -4.915 1.00 0.00 O ATOM 888 CB ASP A 769 3.964 -4.426 -5.860 1.00 0.00 C ATOM 889 CG ASP A 769 4.004 -5.928 -5.712 1.00 0.00 C ATOM 890 OD1 ASP A 769 4.616 -6.417 -4.739 1.00 0.00 O ATOM 891 OD2 ASP A 769 3.423 -6.617 -6.572 1.00 0.00 O ATOM 0 H ASP A 769 2.447 -5.257 -3.570 1.00 0.00 H new ATOM 0 HA ASP A 769 3.313 -2.732 -4.754 1.00 0.00 H new ATOM 0 HB2 ASP A 769 3.674 -4.173 -6.880 1.00 0.00 H new ATOM 0 HB3 ASP A 769 4.965 -4.023 -5.704 1.00 0.00 H new ATOM 896 N LEU A 770 1.388 -3.041 -6.490 1.00 0.00 N ATOM 897 CA LEU A 770 0.096 -2.968 -7.135 1.00 0.00 C ATOM 898 C LEU A 770 -0.264 -4.256 -7.844 1.00 0.00 C ATOM 899 O LEU A 770 -1.440 -4.548 -8.020 1.00 0.00 O ATOM 900 CB LEU A 770 0.079 -1.796 -8.081 1.00 0.00 C ATOM 901 CG LEU A 770 0.756 -0.577 -7.519 1.00 0.00 C ATOM 902 CD1 LEU A 770 1.488 0.141 -8.598 1.00 0.00 C ATOM 903 CD2 LEU A 770 -0.261 0.325 -6.899 1.00 0.00 C ATOM 0 H LEU A 770 2.104 -2.456 -6.920 1.00 0.00 H new ATOM 0 HA LEU A 770 -0.664 -2.823 -6.368 1.00 0.00 H new ATOM 0 HB2 LEU A 770 0.570 -2.080 -9.012 1.00 0.00 H new ATOM 0 HB3 LEU A 770 -0.954 -1.550 -8.327 1.00 0.00 H new ATOM 0 HG LEU A 770 1.470 -0.884 -6.755 1.00 0.00 H new ATOM 0 HD11 LEU A 770 1.976 1.023 -8.182 1.00 0.00 H new ATOM 0 HD12 LEU A 770 2.240 -0.520 -9.030 1.00 0.00 H new ATOM 0 HD13 LEU A 770 0.785 0.446 -9.373 1.00 0.00 H new ATOM 0 HD21 LEU A 770 0.234 1.207 -6.493 1.00 0.00 H new ATOM 0 HD22 LEU A 770 -0.985 0.631 -7.654 1.00 0.00 H new ATOM 0 HD23 LEU A 770 -0.775 -0.204 -6.097 1.00 0.00 H new ATOM 915 N LYS A 771 0.732 -5.005 -8.302 1.00 0.00 N ATOM 916 CA LYS A 771 0.438 -6.286 -8.927 1.00 0.00 C ATOM 917 C LYS A 771 0.065 -7.280 -7.849 1.00 0.00 C ATOM 918 O LYS A 771 -0.849 -8.073 -8.025 1.00 0.00 O ATOM 919 CB LYS A 771 1.591 -6.833 -9.747 1.00 0.00 C ATOM 920 CG LYS A 771 1.106 -7.703 -10.891 1.00 0.00 C ATOM 921 CD LYS A 771 1.139 -6.939 -12.197 1.00 0.00 C ATOM 922 CE LYS A 771 0.325 -7.642 -13.265 1.00 0.00 C ATOM 923 NZ LYS A 771 0.402 -6.940 -14.576 1.00 0.00 N ATOM 0 H LYS A 771 1.720 -4.757 -8.255 1.00 0.00 H new ATOM 0 HA LYS A 771 -0.388 -6.128 -9.621 1.00 0.00 H new ATOM 0 HB2 LYS A 771 2.179 -6.006 -10.144 1.00 0.00 H new ATOM 0 HB3 LYS A 771 2.251 -7.414 -9.103 1.00 0.00 H new ATOM 0 HG2 LYS A 771 1.732 -8.592 -10.968 1.00 0.00 H new ATOM 0 HG3 LYS A 771 0.091 -8.044 -10.689 1.00 0.00 H new ATOM 0 HD2 LYS A 771 0.749 -5.933 -12.043 1.00 0.00 H new ATOM 0 HD3 LYS A 771 2.170 -6.833 -12.533 1.00 0.00 H new ATOM 0 HE2 LYS A 771 0.684 -8.665 -13.380 1.00 0.00 H new ATOM 0 HE3 LYS A 771 -0.716 -7.703 -12.947 1.00 0.00 H new ATOM 0 HZ1 LYS A 771 -0.168 -7.453 -15.278 1.00 0.00 H new ATOM 0 HZ2 LYS A 771 0.036 -5.972 -14.473 1.00 0.00 H new ATOM 0 HZ3 LYS A 771 1.392 -6.904 -14.893 1.00 0.00 H new ATOM 937 N THR A 772 0.811 -7.261 -6.747 1.00 0.00 N ATOM 938 CA THR A 772 0.490 -8.120 -5.615 1.00 0.00 C ATOM 939 C THR A 772 -0.880 -7.715 -5.113 1.00 0.00 C ATOM 940 O THR A 772 -1.701 -8.556 -4.746 1.00 0.00 O ATOM 941 CB THR A 772 1.528 -8.054 -4.495 1.00 0.00 C ATOM 942 OG1 THR A 772 2.807 -8.475 -4.982 1.00 0.00 O ATOM 943 CG2 THR A 772 1.097 -8.953 -3.355 1.00 0.00 C ATOM 0 H THR A 772 1.631 -6.668 -6.616 1.00 0.00 H new ATOM 0 HA THR A 772 0.496 -9.158 -5.946 1.00 0.00 H new ATOM 0 HB THR A 772 1.606 -7.026 -4.141 1.00 0.00 H new ATOM 0 HG1 THR A 772 2.975 -8.066 -5.856 1.00 0.00 H new ATOM 0 HG21 THR A 772 1.837 -8.907 -2.556 1.00 0.00 H new ATOM 0 HG22 THR A 772 0.131 -8.621 -2.975 1.00 0.00 H new ATOM 0 HG23 THR A 772 1.013 -9.979 -3.713 1.00 0.00 H new ATOM 951 N MET A 773 -1.110 -6.405 -5.093 1.00 0.00 N ATOM 952 CA MET A 773 -2.418 -5.868 -4.751 1.00 0.00 C ATOM 953 C MET A 773 -3.416 -6.512 -5.706 1.00 0.00 C ATOM 954 O MET A 773 -4.339 -7.202 -5.300 1.00 0.00 O ATOM 955 CB MET A 773 -2.428 -4.349 -4.935 1.00 0.00 C ATOM 956 CG MET A 773 -2.114 -3.580 -3.674 1.00 0.00 C ATOM 957 SD MET A 773 -3.299 -3.910 -2.379 1.00 0.00 S ATOM 958 CE MET A 773 -4.751 -3.185 -3.108 1.00 0.00 C ATOM 0 H MET A 773 -0.407 -5.699 -5.310 1.00 0.00 H new ATOM 0 HA MET A 773 -2.670 -6.081 -3.712 1.00 0.00 H new ATOM 0 HB2 MET A 773 -1.703 -4.081 -5.703 1.00 0.00 H new ATOM 0 HB3 MET A 773 -3.408 -4.043 -5.301 1.00 0.00 H new ATOM 0 HG2 MET A 773 -1.115 -3.844 -3.327 1.00 0.00 H new ATOM 0 HG3 MET A 773 -2.104 -2.512 -3.893 1.00 0.00 H new ATOM 0 HE1 MET A 773 -5.621 -3.799 -2.875 1.00 0.00 H new ATOM 0 HE2 MET A 773 -4.897 -2.182 -2.707 1.00 0.00 H new ATOM 0 HE3 MET A 773 -4.626 -3.129 -4.189 1.00 0.00 H new ATOM 968 N SER A 774 -3.170 -6.321 -6.995 1.00 0.00 N ATOM 969 CA SER A 774 -4.022 -6.871 -8.044 1.00 0.00 C ATOM 970 C SER A 774 -4.070 -8.396 -8.030 1.00 0.00 C ATOM 971 O SER A 774 -5.016 -8.979 -8.533 1.00 0.00 O ATOM 972 CB SER A 774 -3.566 -6.387 -9.404 1.00 0.00 C ATOM 973 OG SER A 774 -2.409 -7.077 -9.841 1.00 0.00 O ATOM 0 H SER A 774 -2.377 -5.782 -7.344 1.00 0.00 H new ATOM 0 HA SER A 774 -5.032 -6.513 -7.843 1.00 0.00 H new ATOM 0 HB2 SER A 774 -4.369 -6.526 -10.128 1.00 0.00 H new ATOM 0 HB3 SER A 774 -3.358 -5.318 -9.360 1.00 0.00 H new ATOM 0 HG SER A 774 -1.986 -7.522 -9.078 1.00 0.00 H new ATOM 979 N GLU A 775 -3.051 -9.052 -7.482 1.00 0.00 N ATOM 980 CA GLU A 775 -3.044 -10.495 -7.416 1.00 0.00 C ATOM 981 C GLU A 775 -4.162 -10.927 -6.522 1.00 0.00 C ATOM 982 O GLU A 775 -4.958 -11.818 -6.830 1.00 0.00 O ATOM 983 CB GLU A 775 -1.745 -10.959 -6.852 1.00 0.00 C ATOM 984 CG GLU A 775 -0.726 -11.170 -7.919 1.00 0.00 C ATOM 985 CD GLU A 775 -0.822 -12.540 -8.562 1.00 0.00 C ATOM 986 OE1 GLU A 775 -0.184 -13.483 -8.048 1.00 0.00 O ATOM 987 OE2 GLU A 775 -1.536 -12.670 -9.577 1.00 0.00 O ATOM 0 H GLU A 775 -2.227 -8.603 -7.081 1.00 0.00 H new ATOM 0 HA GLU A 775 -3.171 -10.921 -8.411 1.00 0.00 H new ATOM 0 HB2 GLU A 775 -1.376 -10.225 -6.136 1.00 0.00 H new ATOM 0 HB3 GLU A 775 -1.897 -11.889 -6.305 1.00 0.00 H new ATOM 0 HG2 GLU A 775 -0.846 -10.405 -8.686 1.00 0.00 H new ATOM 0 HG3 GLU A 775 0.270 -11.042 -7.494 1.00 0.00 H new ATOM 994 N ARG A 776 -4.193 -10.245 -5.402 1.00 0.00 N ATOM 995 CA ARG A 776 -5.190 -10.444 -4.401 1.00 0.00 C ATOM 996 C ARG A 776 -6.535 -10.103 -5.005 1.00 0.00 C ATOM 997 O ARG A 776 -7.474 -10.887 -4.978 1.00 0.00 O ATOM 998 CB ARG A 776 -4.853 -9.541 -3.228 1.00 0.00 C ATOM 999 CG ARG A 776 -3.701 -10.066 -2.384 1.00 0.00 C ATOM 1000 CD ARG A 776 -2.926 -8.944 -1.714 1.00 0.00 C ATOM 1001 NE ARG A 776 -2.814 -9.142 -0.271 1.00 0.00 N ATOM 1002 CZ ARG A 776 -1.708 -9.567 0.334 1.00 0.00 C ATOM 1003 NH1 ARG A 776 -0.624 -9.852 -0.376 1.00 0.00 N ATOM 1004 NH2 ARG A 776 -1.686 -9.711 1.652 1.00 0.00 N ATOM 0 H ARG A 776 -3.510 -9.526 -5.165 1.00 0.00 H new ATOM 0 HA ARG A 776 -5.224 -11.475 -4.049 1.00 0.00 H new ATOM 0 HB2 ARG A 776 -4.599 -8.549 -3.602 1.00 0.00 H new ATOM 0 HB3 ARG A 776 -5.735 -9.428 -2.598 1.00 0.00 H new ATOM 0 HG2 ARG A 776 -4.089 -10.743 -1.623 1.00 0.00 H new ATOM 0 HG3 ARG A 776 -3.026 -10.647 -3.013 1.00 0.00 H new ATOM 0 HD2 ARG A 776 -1.929 -8.882 -2.150 1.00 0.00 H new ATOM 0 HD3 ARG A 776 -3.421 -7.993 -1.912 1.00 0.00 H new ATOM 0 HE ARG A 776 -3.631 -8.943 0.306 1.00 0.00 H new ATOM 0 HH11 ARG A 776 -0.636 -9.746 -1.390 1.00 0.00 H new ATOM 0 HH12 ARG A 776 0.222 -10.177 0.093 1.00 0.00 H new ATOM 0 HH21 ARG A 776 -2.517 -9.496 2.202 1.00 0.00 H new ATOM 0 HH22 ARG A 776 -0.838 -10.037 2.115 1.00 0.00 H new ATOM 1018 N LEU A 777 -6.573 -8.934 -5.600 1.00 0.00 N ATOM 1019 CA LEU A 777 -7.751 -8.415 -6.264 1.00 0.00 C ATOM 1020 C LEU A 777 -8.322 -9.431 -7.214 1.00 0.00 C ATOM 1021 O LEU A 777 -9.493 -9.790 -7.132 1.00 0.00 O ATOM 1022 CB LEU A 777 -7.345 -7.160 -7.030 1.00 0.00 C ATOM 1023 CG LEU A 777 -8.455 -6.260 -7.558 1.00 0.00 C ATOM 1024 CD1 LEU A 777 -9.724 -7.001 -7.866 1.00 0.00 C ATOM 1025 CD2 LEU A 777 -8.726 -5.175 -6.551 1.00 0.00 C ATOM 0 H LEU A 777 -5.772 -8.303 -5.638 1.00 0.00 H new ATOM 0 HA LEU A 777 -8.517 -8.184 -5.524 1.00 0.00 H new ATOM 0 HB2 LEU A 777 -6.709 -6.561 -6.378 1.00 0.00 H new ATOM 0 HB3 LEU A 777 -6.732 -7.468 -7.877 1.00 0.00 H new ATOM 0 HG LEU A 777 -8.110 -5.837 -8.501 1.00 0.00 H new ATOM 0 HD11 LEU A 777 -10.473 -6.301 -8.238 1.00 0.00 H new ATOM 0 HD12 LEU A 777 -9.528 -7.759 -8.624 1.00 0.00 H new ATOM 0 HD13 LEU A 777 -10.094 -7.481 -6.960 1.00 0.00 H new ATOM 0 HD21 LEU A 777 -9.520 -4.526 -6.921 1.00 0.00 H new ATOM 0 HD22 LEU A 777 -9.035 -5.624 -5.607 1.00 0.00 H new ATOM 0 HD23 LEU A 777 -7.820 -4.589 -6.395 1.00 0.00 H new ATOM 1037 N LYS A 778 -7.485 -9.887 -8.113 1.00 0.00 N ATOM 1038 CA LYS A 778 -7.906 -10.830 -9.105 1.00 0.00 C ATOM 1039 C LYS A 778 -8.635 -12.002 -8.469 1.00 0.00 C ATOM 1040 O LYS A 778 -9.731 -12.371 -8.889 1.00 0.00 O ATOM 1041 CB LYS A 778 -6.724 -11.355 -9.888 1.00 0.00 C ATOM 1042 CG LYS A 778 -6.622 -10.761 -11.263 1.00 0.00 C ATOM 1043 CD LYS A 778 -5.839 -9.459 -11.259 1.00 0.00 C ATOM 1044 CE LYS A 778 -4.327 -9.691 -11.323 1.00 0.00 C ATOM 1045 NZ LYS A 778 -3.897 -10.839 -10.480 1.00 0.00 N ATOM 0 H LYS A 778 -6.504 -9.615 -8.173 1.00 0.00 H new ATOM 0 HA LYS A 778 -8.584 -10.307 -9.780 1.00 0.00 H new ATOM 0 HB2 LYS A 778 -5.807 -11.143 -9.338 1.00 0.00 H new ATOM 0 HB3 LYS A 778 -6.803 -12.439 -9.971 1.00 0.00 H new ATOM 0 HG2 LYS A 778 -6.139 -11.473 -11.932 1.00 0.00 H new ATOM 0 HG3 LYS A 778 -7.623 -10.582 -11.657 1.00 0.00 H new ATOM 0 HD2 LYS A 778 -6.147 -8.849 -12.108 1.00 0.00 H new ATOM 0 HD3 LYS A 778 -6.080 -8.895 -10.358 1.00 0.00 H new ATOM 0 HE2 LYS A 778 -4.033 -9.872 -12.357 1.00 0.00 H new ATOM 0 HE3 LYS A 778 -3.809 -8.789 -10.997 1.00 0.00 H new ATOM 0 HZ1 LYS A 778 -2.859 -10.855 -10.419 1.00 0.00 H new ATOM 0 HZ2 LYS A 778 -4.299 -10.739 -9.526 1.00 0.00 H new ATOM 0 HZ3 LYS A 778 -4.232 -11.727 -10.905 1.00 0.00 H new ATOM 1059 N ASN A 779 -8.008 -12.586 -7.449 1.00 0.00 N ATOM 1060 CA ASN A 779 -8.592 -13.731 -6.762 1.00 0.00 C ATOM 1061 C ASN A 779 -9.733 -13.304 -5.837 1.00 0.00 C ATOM 1062 O ASN A 779 -10.325 -14.131 -5.144 1.00 0.00 O ATOM 1063 CB ASN A 779 -7.522 -14.492 -5.974 1.00 0.00 C ATOM 1064 CG ASN A 779 -7.391 -14.028 -4.537 1.00 0.00 C ATOM 1065 OD1 ASN A 779 -6.398 -13.190 -4.282 1.00 0.00 O flip ATOM 1066 ND2 ASN A 779 -8.160 -14.432 -3.666 1.00 0.00 N flip ATOM 0 H ASN A 779 -7.104 -12.287 -7.084 1.00 0.00 H new ATOM 0 HA ASN A 779 -9.006 -14.396 -7.520 1.00 0.00 H new ATOM 0 HB2 ASN A 779 -7.761 -15.555 -5.985 1.00 0.00 H new ATOM 0 HB3 ASN A 779 -6.561 -14.376 -6.475 1.00 0.00 H new ATOM 0 HD21 ASN A 779 -8.912 -15.078 -3.909 1.00 0.00 H new ATOM 0 HD22 ASN A 779 -8.046 -14.121 -2.701 1.00 0.00 H new ATOM 1073 N ARG A 780 -10.011 -12.001 -5.833 1.00 0.00 N ATOM 1074 CA ARG A 780 -11.084 -11.408 -5.025 1.00 0.00 C ATOM 1075 C ARG A 780 -10.691 -11.354 -3.558 1.00 0.00 C ATOM 1076 O ARG A 780 -11.545 -11.279 -2.674 1.00 0.00 O ATOM 1077 CB ARG A 780 -12.392 -12.183 -5.157 1.00 0.00 C ATOM 1078 CG ARG A 780 -13.127 -11.955 -6.455 1.00 0.00 C ATOM 1079 CD ARG A 780 -12.455 -12.681 -7.600 1.00 0.00 C ATOM 1080 NE ARG A 780 -13.284 -13.759 -8.128 1.00 0.00 N ATOM 1081 CZ ARG A 780 -13.262 -14.154 -9.397 1.00 0.00 C ATOM 1082 NH1 ARG A 780 -12.455 -13.559 -10.265 1.00 0.00 N ATOM 1083 NH2 ARG A 780 -14.047 -15.143 -9.799 1.00 0.00 N ATOM 0 H ARG A 780 -9.497 -11.320 -6.392 1.00 0.00 H new ATOM 0 HA ARG A 780 -11.237 -10.397 -5.404 1.00 0.00 H new ATOM 0 HB2 ARG A 780 -12.180 -13.248 -5.056 1.00 0.00 H new ATOM 0 HB3 ARG A 780 -13.047 -11.909 -4.330 1.00 0.00 H new ATOM 0 HG2 ARG A 780 -14.157 -12.298 -6.358 1.00 0.00 H new ATOM 0 HG3 ARG A 780 -13.166 -10.887 -6.671 1.00 0.00 H new ATOM 0 HD2 ARG A 780 -12.232 -11.972 -8.397 1.00 0.00 H new ATOM 0 HD3 ARG A 780 -11.503 -13.089 -7.261 1.00 0.00 H new ATOM 0 HE ARG A 780 -13.917 -14.237 -7.487 1.00 0.00 H new ATOM 0 HH11 ARG A 780 -11.850 -12.797 -9.959 1.00 0.00 H new ATOM 0 HH12 ARG A 780 -12.439 -13.863 -11.238 1.00 0.00 H new ATOM 0 HH21 ARG A 780 -14.669 -15.602 -9.134 1.00 0.00 H new ATOM 0 HH22 ARG A 780 -14.029 -15.445 -10.773 1.00 0.00 H new ATOM 1097 N TYR A 781 -9.394 -11.399 -3.315 1.00 0.00 N ATOM 1098 CA TYR A 781 -8.851 -11.365 -1.972 1.00 0.00 C ATOM 1099 C TYR A 781 -9.487 -10.262 -1.139 1.00 0.00 C ATOM 1100 O TYR A 781 -9.884 -10.481 0.004 1.00 0.00 O ATOM 1101 CB TYR A 781 -7.352 -11.110 -2.056 1.00 0.00 C ATOM 1102 CG TYR A 781 -6.673 -10.847 -0.741 1.00 0.00 C ATOM 1103 CD1 TYR A 781 -6.152 -11.878 0.029 1.00 0.00 C ATOM 1104 CD2 TYR A 781 -6.529 -9.552 -0.294 1.00 0.00 C ATOM 1105 CE1 TYR A 781 -5.507 -11.610 1.221 1.00 0.00 C ATOM 1106 CE2 TYR A 781 -5.885 -9.271 0.881 1.00 0.00 C ATOM 1107 CZ TYR A 781 -5.373 -10.303 1.643 1.00 0.00 C ATOM 1108 OH TYR A 781 -4.723 -10.028 2.824 1.00 0.00 O ATOM 0 H TYR A 781 -8.686 -11.460 -4.047 1.00 0.00 H new ATOM 0 HA TYR A 781 -9.062 -12.321 -1.494 1.00 0.00 H new ATOM 0 HB2 TYR A 781 -6.879 -11.973 -2.525 1.00 0.00 H new ATOM 0 HB3 TYR A 781 -7.181 -10.257 -2.712 1.00 0.00 H new ATOM 0 HD1 TYR A 781 -6.252 -12.900 -0.307 1.00 0.00 H new ATOM 0 HD2 TYR A 781 -6.933 -8.741 -0.883 1.00 0.00 H new ATOM 0 HE1 TYR A 781 -5.110 -12.418 1.818 1.00 0.00 H new ATOM 0 HE2 TYR A 781 -5.778 -8.248 1.210 1.00 0.00 H new ATOM 0 HH TYR A 781 -4.041 -10.713 2.989 1.00 0.00 H new ATOM 1118 N TYR A 782 -9.580 -9.074 -1.730 1.00 0.00 N ATOM 1119 CA TYR A 782 -10.110 -7.912 -1.043 1.00 0.00 C ATOM 1120 C TYR A 782 -11.566 -8.041 -0.684 1.00 0.00 C ATOM 1121 O TYR A 782 -12.451 -7.553 -1.388 1.00 0.00 O ATOM 1122 CB TYR A 782 -9.853 -6.658 -1.864 1.00 0.00 C ATOM 1123 CG TYR A 782 -8.427 -6.558 -2.224 1.00 0.00 C ATOM 1124 CD1 TYR A 782 -7.528 -6.169 -1.286 1.00 0.00 C ATOM 1125 CD2 TYR A 782 -7.971 -6.905 -3.467 1.00 0.00 C ATOM 1126 CE1 TYR A 782 -6.204 -6.120 -1.557 1.00 0.00 C ATOM 1127 CE2 TYR A 782 -6.632 -6.838 -3.754 1.00 0.00 C ATOM 1128 CZ TYR A 782 -5.755 -6.447 -2.785 1.00 0.00 C ATOM 1129 OH TYR A 782 -4.421 -6.407 -3.035 1.00 0.00 O ATOM 0 H TYR A 782 -9.291 -8.896 -2.692 1.00 0.00 H new ATOM 0 HA TYR A 782 -9.580 -7.836 -0.094 1.00 0.00 H new ATOM 0 HB2 TYR A 782 -10.462 -6.677 -2.768 1.00 0.00 H new ATOM 0 HB3 TYR A 782 -10.153 -5.777 -1.297 1.00 0.00 H new ATOM 0 HD1 TYR A 782 -7.877 -5.893 -0.302 1.00 0.00 H new ATOM 0 HD2 TYR A 782 -8.668 -7.233 -4.224 1.00 0.00 H new ATOM 0 HE1 TYR A 782 -5.506 -5.819 -0.789 1.00 0.00 H new ATOM 0 HE2 TYR A 782 -6.274 -7.093 -4.741 1.00 0.00 H new ATOM 0 HH TYR A 782 -3.991 -5.780 -2.417 1.00 0.00 H new ATOM 1139 N VAL A 783 -11.797 -8.709 0.430 1.00 0.00 N ATOM 1140 CA VAL A 783 -13.124 -8.861 0.955 1.00 0.00 C ATOM 1141 C VAL A 783 -13.369 -7.716 1.899 1.00 0.00 C ATOM 1142 O VAL A 783 -14.305 -7.706 2.698 1.00 0.00 O ATOM 1143 CB VAL A 783 -13.297 -10.189 1.687 1.00 0.00 C ATOM 1144 CG1 VAL A 783 -13.305 -11.308 0.685 1.00 0.00 C ATOM 1145 CG2 VAL A 783 -12.196 -10.367 2.703 1.00 0.00 C ATOM 0 H VAL A 783 -11.069 -9.156 0.988 1.00 0.00 H new ATOM 0 HA VAL A 783 -13.842 -8.858 0.134 1.00 0.00 H new ATOM 0 HB VAL A 783 -14.246 -10.197 2.223 1.00 0.00 H new ATOM 0 HG11 VAL A 783 -13.428 -12.259 1.203 1.00 0.00 H new ATOM 0 HG12 VAL A 783 -14.130 -11.165 -0.013 1.00 0.00 H new ATOM 0 HG13 VAL A 783 -12.363 -11.313 0.137 1.00 0.00 H new ATOM 0 HG21 VAL A 783 -12.328 -11.317 3.220 1.00 0.00 H new ATOM 0 HG22 VAL A 783 -11.230 -10.360 2.198 1.00 0.00 H new ATOM 0 HG23 VAL A 783 -12.233 -9.552 3.426 1.00 0.00 H new ATOM 1155 N SER A 784 -12.481 -6.744 1.771 1.00 0.00 N ATOM 1156 CA SER A 784 -12.494 -5.562 2.589 1.00 0.00 C ATOM 1157 C SER A 784 -11.573 -4.511 1.980 1.00 0.00 C ATOM 1158 O SER A 784 -10.406 -4.796 1.716 1.00 0.00 O ATOM 1159 CB SER A 784 -12.023 -5.934 3.978 1.00 0.00 C ATOM 1160 OG SER A 784 -13.106 -6.020 4.886 1.00 0.00 O ATOM 0 H SER A 784 -11.726 -6.762 1.086 1.00 0.00 H new ATOM 0 HA SER A 784 -13.501 -5.149 2.644 1.00 0.00 H new ATOM 0 HB2 SER A 784 -11.500 -6.889 3.942 1.00 0.00 H new ATOM 0 HB3 SER A 784 -11.308 -5.192 4.332 1.00 0.00 H new ATOM 0 HG SER A 784 -13.819 -6.567 4.494 1.00 0.00 H new ATOM 1166 N LYS A 785 -12.089 -3.303 1.728 1.00 0.00 N ATOM 1167 CA LYS A 785 -11.251 -2.252 1.155 1.00 0.00 C ATOM 1168 C LYS A 785 -10.044 -2.029 2.031 1.00 0.00 C ATOM 1169 O LYS A 785 -9.109 -1.362 1.624 1.00 0.00 O ATOM 1170 CB LYS A 785 -11.992 -0.922 0.997 1.00 0.00 C ATOM 1171 CG LYS A 785 -12.372 -0.264 2.314 1.00 0.00 C ATOM 1172 CD LYS A 785 -13.873 -0.034 2.416 1.00 0.00 C ATOM 1173 CE LYS A 785 -14.627 -1.346 2.543 1.00 0.00 C ATOM 1174 NZ LYS A 785 -16.092 -1.134 2.704 1.00 0.00 N ATOM 0 H LYS A 785 -13.057 -3.036 1.907 1.00 0.00 H new ATOM 0 HA LYS A 785 -10.957 -2.592 0.162 1.00 0.00 H new ATOM 0 HB2 LYS A 785 -11.366 -0.235 0.427 1.00 0.00 H new ATOM 0 HB3 LYS A 785 -12.897 -1.089 0.412 1.00 0.00 H new ATOM 0 HG2 LYS A 785 -12.043 -0.891 3.142 1.00 0.00 H new ATOM 0 HG3 LYS A 785 -11.851 0.689 2.409 1.00 0.00 H new ATOM 0 HD2 LYS A 785 -14.088 0.596 3.279 1.00 0.00 H new ATOM 0 HD3 LYS A 785 -14.221 0.504 1.534 1.00 0.00 H new ATOM 0 HE2 LYS A 785 -14.444 -1.956 1.659 1.00 0.00 H new ATOM 0 HE3 LYS A 785 -14.245 -1.902 3.399 1.00 0.00 H new ATOM 0 HZ1 LYS A 785 -16.515 -1.966 3.164 1.00 0.00 H new ATOM 0 HZ2 LYS A 785 -16.258 -0.292 3.291 1.00 0.00 H new ATOM 0 HZ3 LYS A 785 -16.528 -0.997 1.770 1.00 0.00 H new ATOM 1188 N LYS A 786 -10.083 -2.570 3.248 1.00 0.00 N ATOM 1189 CA LYS A 786 -8.971 -2.421 4.167 1.00 0.00 C ATOM 1190 C LYS A 786 -7.842 -3.362 3.791 1.00 0.00 C ATOM 1191 O LYS A 786 -6.680 -3.076 4.045 1.00 0.00 O ATOM 1192 CB LYS A 786 -9.417 -2.628 5.616 1.00 0.00 C ATOM 1193 CG LYS A 786 -10.231 -1.466 6.163 1.00 0.00 C ATOM 1194 CD LYS A 786 -10.718 -1.732 7.579 1.00 0.00 C ATOM 1195 CE LYS A 786 -11.859 -2.737 7.598 1.00 0.00 C ATOM 1196 NZ LYS A 786 -12.422 -2.910 8.966 1.00 0.00 N ATOM 0 H LYS A 786 -10.868 -3.110 3.612 1.00 0.00 H new ATOM 0 HA LYS A 786 -8.597 -1.400 4.089 1.00 0.00 H new ATOM 0 HB2 LYS A 786 -10.010 -3.541 5.680 1.00 0.00 H new ATOM 0 HB3 LYS A 786 -8.537 -2.774 6.243 1.00 0.00 H new ATOM 0 HG2 LYS A 786 -9.624 -0.561 6.152 1.00 0.00 H new ATOM 0 HG3 LYS A 786 -11.087 -1.284 5.513 1.00 0.00 H new ATOM 0 HD2 LYS A 786 -9.892 -2.106 8.184 1.00 0.00 H new ATOM 0 HD3 LYS A 786 -11.048 -0.797 8.033 1.00 0.00 H new ATOM 0 HE2 LYS A 786 -12.646 -2.406 6.920 1.00 0.00 H new ATOM 0 HE3 LYS A 786 -11.503 -3.698 7.227 1.00 0.00 H new ATOM 0 HZ1 LYS A 786 -13.197 -3.603 8.937 1.00 0.00 H new ATOM 0 HZ2 LYS A 786 -11.677 -3.250 9.607 1.00 0.00 H new ATOM 0 HZ3 LYS A 786 -12.785 -1.998 9.310 1.00 0.00 H new ATOM 1210 N LEU A 787 -8.186 -4.508 3.224 1.00 0.00 N ATOM 1211 CA LEU A 787 -7.178 -5.423 2.732 1.00 0.00 C ATOM 1212 C LEU A 787 -6.456 -4.696 1.655 1.00 0.00 C ATOM 1213 O LEU A 787 -5.231 -4.637 1.566 1.00 0.00 O ATOM 1214 CB LEU A 787 -7.845 -6.623 2.092 1.00 0.00 C ATOM 1215 CG LEU A 787 -8.222 -7.712 3.039 1.00 0.00 C ATOM 1216 CD1 LEU A 787 -8.961 -8.798 2.289 1.00 0.00 C ATOM 1217 CD2 LEU A 787 -6.976 -8.211 3.735 1.00 0.00 C ATOM 0 H LEU A 787 -9.148 -4.821 3.096 1.00 0.00 H new ATOM 0 HA LEU A 787 -6.526 -5.753 3.541 1.00 0.00 H new ATOM 0 HB2 LEU A 787 -8.742 -6.287 1.572 1.00 0.00 H new ATOM 0 HB3 LEU A 787 -7.174 -7.034 1.338 1.00 0.00 H new ATOM 0 HG LEU A 787 -8.899 -7.346 3.811 1.00 0.00 H new ATOM 0 HD11 LEU A 787 -9.237 -9.594 2.980 1.00 0.00 H new ATOM 0 HD12 LEU A 787 -9.861 -8.381 1.838 1.00 0.00 H new ATOM 0 HD13 LEU A 787 -8.318 -9.203 1.507 1.00 0.00 H new ATOM 0 HD21 LEU A 787 -7.242 -9.008 4.430 1.00 0.00 H new ATOM 0 HD22 LEU A 787 -6.274 -8.594 2.994 1.00 0.00 H new ATOM 0 HD23 LEU A 787 -6.512 -7.391 4.283 1.00 0.00 H new ATOM 1229 N PHE A 788 -7.312 -4.149 0.843 1.00 0.00 N ATOM 1230 CA PHE A 788 -6.967 -3.368 -0.286 1.00 0.00 C ATOM 1231 C PHE A 788 -6.227 -2.134 0.113 1.00 0.00 C ATOM 1232 O PHE A 788 -5.263 -1.725 -0.535 1.00 0.00 O ATOM 1233 CB PHE A 788 -8.238 -3.033 -0.975 1.00 0.00 C ATOM 1234 CG PHE A 788 -7.923 -2.604 -2.316 1.00 0.00 C ATOM 1235 CD1 PHE A 788 -7.604 -1.326 -2.461 1.00 0.00 C ATOM 1236 CD2 PHE A 788 -7.890 -3.447 -3.393 1.00 0.00 C ATOM 1237 CE1 PHE A 788 -7.254 -0.820 -3.653 1.00 0.00 C ATOM 1238 CE2 PHE A 788 -7.538 -2.953 -4.623 1.00 0.00 C ATOM 1239 CZ PHE A 788 -7.220 -1.631 -4.751 1.00 0.00 C ATOM 0 H PHE A 788 -8.320 -4.247 0.966 1.00 0.00 H new ATOM 0 HA PHE A 788 -6.300 -3.920 -0.948 1.00 0.00 H new ATOM 0 HB2 PHE A 788 -8.898 -3.900 -0.998 1.00 0.00 H new ATOM 0 HB3 PHE A 788 -8.766 -2.245 -0.438 1.00 0.00 H new ATOM 0 HD1 PHE A 788 -7.626 -0.676 -1.599 1.00 0.00 H new ATOM 0 HD2 PHE A 788 -8.139 -4.491 -3.276 1.00 0.00 H new ATOM 0 HE1 PHE A 788 -7.000 0.226 -3.744 1.00 0.00 H new ATOM 0 HE2 PHE A 788 -7.512 -3.605 -5.484 1.00 0.00 H new ATOM 0 HZ PHE A 788 -6.943 -1.230 -5.715 1.00 0.00 H new ATOM 1249 N MET A 789 -6.676 -1.550 1.181 1.00 0.00 N ATOM 1250 CA MET A 789 -6.055 -0.373 1.671 1.00 0.00 C ATOM 1251 C MET A 789 -4.693 -0.729 2.189 1.00 0.00 C ATOM 1252 O MET A 789 -3.700 -0.391 1.598 1.00 0.00 O ATOM 1253 CB MET A 789 -6.887 0.211 2.769 1.00 0.00 C ATOM 1254 CG MET A 789 -7.959 1.125 2.242 1.00 0.00 C ATOM 1255 SD MET A 789 -7.931 2.692 3.092 1.00 0.00 S ATOM 1256 CE MET A 789 -7.111 3.653 1.844 1.00 0.00 C ATOM 0 H MET A 789 -7.474 -1.876 1.727 1.00 0.00 H new ATOM 0 HA MET A 789 -5.961 0.363 0.873 1.00 0.00 H new ATOM 0 HB2 MET A 789 -7.347 -0.594 3.342 1.00 0.00 H new ATOM 0 HB3 MET A 789 -6.245 0.764 3.455 1.00 0.00 H new ATOM 0 HG2 MET A 789 -7.815 1.284 1.173 1.00 0.00 H new ATOM 0 HG3 MET A 789 -8.935 0.657 2.366 1.00 0.00 H new ATOM 0 HE1 MET A 789 -6.698 4.556 2.293 1.00 0.00 H new ATOM 0 HE2 MET A 789 -6.305 3.066 1.404 1.00 0.00 H new ATOM 0 HE3 MET A 789 -7.826 3.927 1.068 1.00 0.00 H new ATOM 1266 N ALA A 790 -4.687 -1.524 3.237 1.00 0.00 N ATOM 1267 CA ALA A 790 -3.465 -1.956 3.891 1.00 0.00 C ATOM 1268 C ALA A 790 -2.368 -2.353 2.922 1.00 0.00 C ATOM 1269 O ALA A 790 -1.236 -1.924 3.080 1.00 0.00 O ATOM 1270 CB ALA A 790 -3.761 -3.140 4.784 1.00 0.00 C ATOM 0 H ALA A 790 -5.536 -1.893 3.665 1.00 0.00 H new ATOM 0 HA ALA A 790 -3.105 -1.100 4.462 1.00 0.00 H new ATOM 0 HB1 ALA A 790 -2.843 -3.464 5.275 1.00 0.00 H new ATOM 0 HB2 ALA A 790 -4.494 -2.853 5.538 1.00 0.00 H new ATOM 0 HB3 ALA A 790 -4.160 -3.958 4.184 1.00 0.00 H new ATOM 1276 N ASP A 791 -2.700 -3.180 1.936 1.00 0.00 N ATOM 1277 CA ASP A 791 -1.707 -3.657 0.979 1.00 0.00 C ATOM 1278 C ASP A 791 -1.268 -2.551 0.017 1.00 0.00 C ATOM 1279 O ASP A 791 -0.081 -2.296 -0.129 1.00 0.00 O ATOM 1280 CB ASP A 791 -2.224 -4.881 0.230 1.00 0.00 C ATOM 1281 CG ASP A 791 -2.208 -6.132 1.086 1.00 0.00 C ATOM 1282 OD1 ASP A 791 -1.133 -6.758 1.202 1.00 0.00 O ATOM 1283 OD2 ASP A 791 -3.269 -6.486 1.642 1.00 0.00 O ATOM 0 H ASP A 791 -3.644 -3.533 1.779 1.00 0.00 H new ATOM 0 HA ASP A 791 -0.821 -3.956 1.540 1.00 0.00 H new ATOM 0 HB2 ASP A 791 -3.241 -4.691 -0.112 1.00 0.00 H new ATOM 0 HB3 ASP A 791 -1.614 -5.044 -0.659 1.00 0.00 H new ATOM 1288 N LEU A 792 -2.196 -1.895 -0.661 1.00 0.00 N ATOM 1289 CA LEU A 792 -1.789 -0.802 -1.536 1.00 0.00 C ATOM 1290 C LEU A 792 -1.031 0.191 -0.692 1.00 0.00 C ATOM 1291 O LEU A 792 -0.036 0.781 -1.109 1.00 0.00 O ATOM 1292 CB LEU A 792 -2.996 -0.101 -2.162 1.00 0.00 C ATOM 1293 CG LEU A 792 -3.068 -0.128 -3.662 1.00 0.00 C ATOM 1294 CD1 LEU A 792 -4.175 0.788 -4.125 1.00 0.00 C ATOM 1295 CD2 LEU A 792 -1.738 0.273 -4.246 1.00 0.00 C ATOM 0 H LEU A 792 -3.197 -2.087 -0.629 1.00 0.00 H new ATOM 0 HA LEU A 792 -1.178 -1.199 -2.347 1.00 0.00 H new ATOM 0 HB2 LEU A 792 -3.903 -0.559 -1.766 1.00 0.00 H new ATOM 0 HB3 LEU A 792 -2.996 0.939 -1.837 1.00 0.00 H new ATOM 0 HG LEU A 792 -3.292 -1.138 -4.007 1.00 0.00 H new ATOM 0 HD11 LEU A 792 -4.230 0.771 -5.213 1.00 0.00 H new ATOM 0 HD12 LEU A 792 -5.124 0.451 -3.708 1.00 0.00 H new ATOM 0 HD13 LEU A 792 -3.971 1.804 -3.788 1.00 0.00 H new ATOM 0 HD21 LEU A 792 -1.797 0.251 -5.334 1.00 0.00 H new ATOM 0 HD22 LEU A 792 -1.485 1.281 -3.916 1.00 0.00 H new ATOM 0 HD23 LEU A 792 -0.969 -0.423 -3.910 1.00 0.00 H new ATOM 1307 N GLN A 793 -1.521 0.323 0.524 1.00 0.00 N ATOM 1308 CA GLN A 793 -0.946 1.204 1.507 1.00 0.00 C ATOM 1309 C GLN A 793 0.370 0.600 1.947 1.00 0.00 C ATOM 1310 O GLN A 793 1.275 1.286 2.417 1.00 0.00 O ATOM 1311 CB GLN A 793 -1.894 1.345 2.705 1.00 0.00 C ATOM 1312 CG GLN A 793 -3.192 2.070 2.405 1.00 0.00 C ATOM 1313 CD GLN A 793 -3.133 3.563 2.649 1.00 0.00 C ATOM 1314 OE1 GLN A 793 -4.291 4.165 2.923 1.00 0.00 O flip ATOM 1315 NE2 GLN A 793 -2.066 4.174 2.582 1.00 0.00 N flip ATOM 0 H GLN A 793 -2.340 -0.187 0.856 1.00 0.00 H new ATOM 0 HA GLN A 793 -0.786 2.197 1.087 1.00 0.00 H new ATOM 0 HB2 GLN A 793 -2.129 0.350 3.084 1.00 0.00 H new ATOM 0 HB3 GLN A 793 -1.373 1.875 3.502 1.00 0.00 H new ATOM 0 HG2 GLN A 793 -3.463 1.893 1.364 1.00 0.00 H new ATOM 0 HG3 GLN A 793 -3.985 1.643 3.019 1.00 0.00 H new ATOM 0 HE21 GLN A 793 -1.204 3.672 2.370 1.00 0.00 H new ATOM 0 HE22 GLN A 793 -2.045 5.182 2.739 1.00 0.00 H new ATOM 1324 N ARG A 794 0.441 -0.713 1.776 1.00 0.00 N ATOM 1325 CA ARG A 794 1.615 -1.488 2.109 1.00 0.00 C ATOM 1326 C ARG A 794 2.703 -1.195 1.083 1.00 0.00 C ATOM 1327 O ARG A 794 3.892 -1.305 1.380 1.00 0.00 O ATOM 1328 CB ARG A 794 1.257 -2.982 2.151 1.00 0.00 C ATOM 1329 CG ARG A 794 2.311 -3.845 2.788 1.00 0.00 C ATOM 1330 CD ARG A 794 2.281 -3.659 4.283 1.00 0.00 C ATOM 1331 NE ARG A 794 1.752 -4.828 4.982 1.00 0.00 N ATOM 1332 CZ ARG A 794 1.089 -4.757 6.133 1.00 0.00 C ATOM 1333 NH1 ARG A 794 0.892 -3.582 6.717 1.00 0.00 N ATOM 1334 NH2 ARG A 794 0.622 -5.860 6.700 1.00 0.00 N ATOM 0 H ARG A 794 -0.325 -1.270 1.398 1.00 0.00 H new ATOM 0 HA ARG A 794 1.988 -1.214 3.096 1.00 0.00 H new ATOM 0 HB2 ARG A 794 0.322 -3.106 2.697 1.00 0.00 H new ATOM 0 HB3 ARG A 794 1.081 -3.332 1.134 1.00 0.00 H new ATOM 0 HG2 ARG A 794 2.138 -4.892 2.538 1.00 0.00 H new ATOM 0 HG3 ARG A 794 3.295 -3.583 2.398 1.00 0.00 H new ATOM 0 HD2 ARG A 794 3.290 -3.452 4.640 1.00 0.00 H new ATOM 0 HD3 ARG A 794 1.672 -2.788 4.525 1.00 0.00 H new ATOM 0 HE ARG A 794 1.899 -5.747 4.565 1.00 0.00 H new ATOM 0 HH11 ARG A 794 1.249 -2.731 6.283 1.00 0.00 H new ATOM 0 HH12 ARG A 794 0.383 -3.530 7.600 1.00 0.00 H new ATOM 0 HH21 ARG A 794 0.771 -6.765 6.254 1.00 0.00 H new ATOM 0 HH22 ARG A 794 0.114 -5.804 7.583 1.00 0.00 H new ATOM 1348 N VAL A 795 2.290 -0.806 -0.134 1.00 0.00 N ATOM 1349 CA VAL A 795 3.256 -0.452 -1.164 1.00 0.00 C ATOM 1350 C VAL A 795 3.782 0.946 -0.860 1.00 0.00 C ATOM 1351 O VAL A 795 4.957 1.107 -0.567 1.00 0.00 O ATOM 1352 CB VAL A 795 2.699 -0.566 -2.627 1.00 0.00 C ATOM 1353 CG1 VAL A 795 1.493 -1.477 -2.662 1.00 0.00 C ATOM 1354 CG2 VAL A 795 2.360 0.776 -3.272 1.00 0.00 C ATOM 0 H VAL A 795 1.313 -0.732 -0.417 1.00 0.00 H new ATOM 0 HA VAL A 795 4.069 -1.178 -1.134 1.00 0.00 H new ATOM 0 HB VAL A 795 3.509 -0.991 -3.220 1.00 0.00 H new ATOM 0 HG11 VAL A 795 1.118 -1.546 -3.683 1.00 0.00 H new ATOM 0 HG12 VAL A 795 1.777 -2.470 -2.312 1.00 0.00 H new ATOM 0 HG13 VAL A 795 0.713 -1.073 -2.016 1.00 0.00 H new ATOM 0 HG21 VAL A 795 1.982 0.610 -4.281 1.00 0.00 H new ATOM 0 HG22 VAL A 795 1.599 1.283 -2.678 1.00 0.00 H new ATOM 0 HG23 VAL A 795 3.256 1.394 -3.318 1.00 0.00 H new ATOM 1364 N PHE A 796 2.887 1.936 -0.838 1.00 0.00 N ATOM 1365 CA PHE A 796 3.277 3.319 -0.554 1.00 0.00 C ATOM 1366 C PHE A 796 4.133 3.380 0.702 1.00 0.00 C ATOM 1367 O PHE A 796 5.178 4.027 0.721 1.00 0.00 O ATOM 1368 CB PHE A 796 2.058 4.211 -0.339 1.00 0.00 C ATOM 1369 CG PHE A 796 0.842 3.815 -1.119 1.00 0.00 C ATOM 1370 CD1 PHE A 796 0.906 3.538 -2.469 1.00 0.00 C ATOM 1371 CD2 PHE A 796 -0.368 3.699 -0.490 1.00 0.00 C ATOM 1372 CE1 PHE A 796 -0.212 3.151 -3.167 1.00 0.00 C ATOM 1373 CE2 PHE A 796 -1.485 3.313 -1.188 1.00 0.00 C ATOM 1374 CZ PHE A 796 -1.396 3.040 -2.533 1.00 0.00 C ATOM 0 H PHE A 796 1.890 1.807 -1.013 1.00 0.00 H new ATOM 0 HA PHE A 796 3.838 3.676 -1.417 1.00 0.00 H new ATOM 0 HB2 PHE A 796 1.808 4.210 0.722 1.00 0.00 H new ATOM 0 HB3 PHE A 796 2.324 5.235 -0.603 1.00 0.00 H new ATOM 0 HD1 PHE A 796 1.850 3.627 -2.985 1.00 0.00 H new ATOM 0 HD2 PHE A 796 -0.445 3.913 0.566 1.00 0.00 H new ATOM 0 HE1 PHE A 796 -0.142 2.936 -4.223 1.00 0.00 H new ATOM 0 HE2 PHE A 796 -2.434 3.224 -0.681 1.00 0.00 H new ATOM 0 HZ PHE A 796 -2.275 2.736 -3.081 1.00 0.00 H new ATOM 1384 N THR A 797 3.675 2.697 1.753 1.00 0.00 N ATOM 1385 CA THR A 797 4.385 2.681 3.026 1.00 0.00 C ATOM 1386 C THR A 797 5.768 2.055 2.882 1.00 0.00 C ATOM 1387 O THR A 797 6.731 2.550 3.454 1.00 0.00 O ATOM 1388 CB THR A 797 3.599 1.923 4.123 1.00 0.00 C ATOM 1389 OG1 THR A 797 3.995 2.387 5.419 1.00 0.00 O ATOM 1390 CG2 THR A 797 3.834 0.425 4.032 1.00 0.00 C ATOM 0 H THR A 797 2.815 2.149 1.744 1.00 0.00 H new ATOM 0 HA THR A 797 4.488 3.723 3.329 1.00 0.00 H new ATOM 0 HB THR A 797 2.538 2.118 3.969 1.00 0.00 H new ATOM 0 HG1 THR A 797 4.961 2.263 5.530 1.00 0.00 H new ATOM 0 HG21 THR A 797 3.269 -0.080 4.815 1.00 0.00 H new ATOM 0 HG22 THR A 797 3.506 0.064 3.057 1.00 0.00 H new ATOM 0 HG23 THR A 797 4.896 0.215 4.158 1.00 0.00 H new ATOM 1398 N ASN A 798 5.859 0.952 2.135 1.00 0.00 N ATOM 1399 CA ASN A 798 7.137 0.291 1.926 1.00 0.00 C ATOM 1400 C ASN A 798 8.000 1.161 1.034 1.00 0.00 C ATOM 1401 O ASN A 798 9.229 1.132 1.100 1.00 0.00 O ATOM 1402 CB ASN A 798 6.940 -1.111 1.328 1.00 0.00 C ATOM 1403 CG ASN A 798 6.809 -1.137 -0.187 1.00 0.00 C ATOM 1404 OD1 ASN A 798 7.482 -0.400 -0.906 1.00 0.00 O ATOM 1405 ND2 ASN A 798 5.943 -2.008 -0.683 1.00 0.00 N ATOM 0 H ASN A 798 5.068 0.506 1.671 1.00 0.00 H new ATOM 0 HA ASN A 798 7.640 0.157 2.884 1.00 0.00 H new ATOM 0 HB2 ASN A 798 7.783 -1.738 1.618 1.00 0.00 H new ATOM 0 HB3 ASN A 798 6.046 -1.557 1.765 1.00 0.00 H new ATOM 0 HD21 ASN A 798 5.817 -2.084 -1.692 1.00 0.00 H new ATOM 0 HD22 ASN A 798 5.402 -2.603 -0.056 1.00 0.00 H new ATOM 1412 N CYS A 799 7.331 1.963 0.212 1.00 0.00 N ATOM 1413 CA CYS A 799 8.005 2.855 -0.690 1.00 0.00 C ATOM 1414 C CYS A 799 8.474 4.072 0.085 1.00 0.00 C ATOM 1415 O CYS A 799 9.429 4.748 -0.277 1.00 0.00 O ATOM 1416 CB CYS A 799 7.075 3.188 -1.840 1.00 0.00 C ATOM 1417 SG CYS A 799 6.368 1.709 -2.587 1.00 0.00 S ATOM 0 H CYS A 799 6.313 2.004 0.161 1.00 0.00 H new ATOM 0 HA CYS A 799 8.892 2.395 -1.126 1.00 0.00 H new ATOM 0 HB2 CYS A 799 6.272 3.832 -1.482 1.00 0.00 H new ATOM 0 HB3 CYS A 799 7.622 3.751 -2.597 1.00 0.00 H new ATOM 0 HG CYS A 799 6.068 1.951 -3.829 1.00 0.00 H new ATOM 1423 N LYS A 800 7.746 4.338 1.148 1.00 0.00 N ATOM 1424 CA LYS A 800 8.035 5.411 2.077 1.00 0.00 C ATOM 1425 C LYS A 800 9.026 4.943 3.147 1.00 0.00 C ATOM 1426 O LYS A 800 9.778 5.724 3.725 1.00 0.00 O ATOM 1427 CB LYS A 800 6.734 5.786 2.728 1.00 0.00 C ATOM 1428 CG LYS A 800 5.909 6.763 1.932 1.00 0.00 C ATOM 1429 CD LYS A 800 4.437 6.579 2.221 1.00 0.00 C ATOM 1430 CE LYS A 800 3.591 7.293 1.195 1.00 0.00 C ATOM 1431 NZ LYS A 800 2.781 8.385 1.800 1.00 0.00 N ATOM 0 H LYS A 800 6.915 3.801 1.397 1.00 0.00 H new ATOM 0 HA LYS A 800 8.480 6.258 1.555 1.00 0.00 H new ATOM 0 HB2 LYS A 800 6.148 4.882 2.893 1.00 0.00 H new ATOM 0 HB3 LYS A 800 6.941 6.215 3.708 1.00 0.00 H new ATOM 0 HG2 LYS A 800 6.208 7.782 2.176 1.00 0.00 H new ATOM 0 HG3 LYS A 800 6.096 6.622 0.867 1.00 0.00 H new ATOM 0 HD2 LYS A 800 4.193 5.517 2.223 1.00 0.00 H new ATOM 0 HD3 LYS A 800 4.208 6.961 3.216 1.00 0.00 H new ATOM 0 HE2 LYS A 800 4.235 7.707 0.419 1.00 0.00 H new ATOM 0 HE3 LYS A 800 2.928 6.576 0.710 1.00 0.00 H new ATOM 0 HZ1 LYS A 800 1.828 8.382 1.383 1.00 0.00 H new ATOM 0 HZ2 LYS A 800 2.710 8.237 2.827 1.00 0.00 H new ATOM 0 HZ3 LYS A 800 3.238 9.300 1.613 1.00 0.00 H new ATOM 1445 N GLU A 801 8.982 3.641 3.401 1.00 0.00 N ATOM 1446 CA GLU A 801 9.794 2.986 4.427 1.00 0.00 C ATOM 1447 C GLU A 801 11.269 2.934 4.098 1.00 0.00 C ATOM 1448 O GLU A 801 12.113 3.490 4.800 1.00 0.00 O ATOM 1449 CB GLU A 801 9.335 1.533 4.534 1.00 0.00 C ATOM 1450 CG GLU A 801 8.789 1.133 5.896 1.00 0.00 C ATOM 1451 CD GLU A 801 7.904 2.198 6.512 1.00 0.00 C ATOM 1452 OE1 GLU A 801 6.689 2.201 6.221 1.00 0.00 O ATOM 1453 OE2 GLU A 801 8.426 3.031 7.283 1.00 0.00 O ATOM 0 H GLU A 801 8.373 2.998 2.894 1.00 0.00 H new ATOM 0 HA GLU A 801 9.665 3.565 5.341 1.00 0.00 H new ATOM 0 HB2 GLU A 801 8.565 1.354 3.783 1.00 0.00 H new ATOM 0 HB3 GLU A 801 10.175 0.883 4.290 1.00 0.00 H new ATOM 0 HG2 GLU A 801 8.221 0.208 5.797 1.00 0.00 H new ATOM 0 HG3 GLU A 801 9.621 0.925 6.569 1.00 0.00 H new ATOM 1460 N TYR A 802 11.546 2.256 3.011 1.00 0.00 N ATOM 1461 CA TYR A 802 12.893 2.018 2.554 1.00 0.00 C ATOM 1462 C TYR A 802 13.429 3.151 1.723 1.00 0.00 C ATOM 1463 O TYR A 802 14.423 3.784 2.062 1.00 0.00 O ATOM 1464 CB TYR A 802 12.835 0.784 1.689 1.00 0.00 C ATOM 1465 CG TYR A 802 14.132 0.337 1.102 1.00 0.00 C ATOM 1466 CD1 TYR A 802 15.381 0.706 1.581 1.00 0.00 C ATOM 1467 CD2 TYR A 802 14.060 -0.459 0.022 1.00 0.00 C ATOM 1468 CE1 TYR A 802 16.530 0.252 0.954 1.00 0.00 C ATOM 1469 CE2 TYR A 802 15.171 -0.919 -0.623 1.00 0.00 C ATOM 1470 CZ TYR A 802 16.419 -0.564 -0.156 1.00 0.00 C ATOM 1471 OH TYR A 802 17.549 -1.018 -0.793 1.00 0.00 O ATOM 0 H TYR A 802 10.830 1.848 2.410 1.00 0.00 H new ATOM 0 HA TYR A 802 13.550 1.911 3.417 1.00 0.00 H new ATOM 0 HB2 TYR A 802 12.427 -0.033 2.283 1.00 0.00 H new ATOM 0 HB3 TYR A 802 12.134 0.967 0.875 1.00 0.00 H new ATOM 0 HD1 TYR A 802 15.458 1.349 2.445 1.00 0.00 H new ATOM 0 HD2 TYR A 802 13.087 -0.745 -0.349 1.00 0.00 H new ATOM 0 HE1 TYR A 802 17.503 0.533 1.329 1.00 0.00 H new ATOM 0 HE2 TYR A 802 15.074 -1.555 -1.491 1.00 0.00 H new ATOM 0 HH TYR A 802 17.807 -1.887 -0.421 1.00 0.00 H new ATOM 1481 N ASN A 803 12.738 3.401 0.640 1.00 0.00 N ATOM 1482 CA ASN A 803 13.141 4.435 -0.289 1.00 0.00 C ATOM 1483 C ASN A 803 13.280 5.767 0.419 1.00 0.00 C ATOM 1484 O ASN A 803 12.707 5.975 1.486 1.00 0.00 O ATOM 1485 CB ASN A 803 12.128 4.553 -1.427 1.00 0.00 C ATOM 1486 CG ASN A 803 11.961 3.251 -2.185 1.00 0.00 C ATOM 1487 OD1 ASN A 803 11.030 2.488 -1.930 1.00 0.00 O ATOM 1488 ND2 ASN A 803 12.874 2.983 -3.110 1.00 0.00 N ATOM 0 H ASN A 803 11.889 2.902 0.376 1.00 0.00 H new ATOM 0 HA ASN A 803 14.110 4.159 -0.705 1.00 0.00 H new ATOM 0 HB2 ASN A 803 11.164 4.861 -1.022 1.00 0.00 H new ATOM 0 HB3 ASN A 803 12.449 5.334 -2.117 1.00 0.00 H new ATOM 0 HD21 ASN A 803 12.821 2.115 -3.643 1.00 0.00 H new ATOM 0 HD22 ASN A 803 13.629 3.645 -3.288 1.00 0.00 H new ATOM 1495 N PRO A 804 14.120 6.646 -0.134 1.00 0.00 N ATOM 1496 CA PRO A 804 14.316 7.993 0.372 1.00 0.00 C ATOM 1497 C PRO A 804 13.351 8.964 -0.299 1.00 0.00 C ATOM 1498 O PRO A 804 13.055 8.823 -1.485 1.00 0.00 O ATOM 1499 CB PRO A 804 15.755 8.322 -0.017 1.00 0.00 C ATOM 1500 CG PRO A 804 16.177 7.278 -1.015 1.00 0.00 C ATOM 1501 CD PRO A 804 14.992 6.379 -1.270 1.00 0.00 C ATOM 0 HA PRO A 804 14.136 8.070 1.444 1.00 0.00 H new ATOM 0 HB2 PRO A 804 15.822 9.321 -0.449 1.00 0.00 H new ATOM 0 HB3 PRO A 804 16.406 8.309 0.857 1.00 0.00 H new ATOM 0 HG2 PRO A 804 16.507 7.747 -1.942 1.00 0.00 H new ATOM 0 HG3 PRO A 804 17.019 6.701 -0.632 1.00 0.00 H new ATOM 0 HD2 PRO A 804 14.504 6.615 -2.216 1.00 0.00 H new ATOM 0 HD3 PRO A 804 15.285 5.330 -1.315 1.00 0.00 H new ATOM 1509 N PRO A 805 12.858 9.971 0.439 1.00 0.00 N ATOM 1510 CA PRO A 805 11.898 10.944 -0.090 1.00 0.00 C ATOM 1511 C PRO A 805 12.530 11.824 -1.163 1.00 0.00 C ATOM 1512 O PRO A 805 11.932 12.800 -1.617 1.00 0.00 O ATOM 1513 CB PRO A 805 11.499 11.777 1.136 1.00 0.00 C ATOM 1514 CG PRO A 805 12.031 11.034 2.317 1.00 0.00 C ATOM 1515 CD PRO A 805 13.225 10.272 1.824 1.00 0.00 C ATOM 0 HA PRO A 805 11.045 10.464 -0.570 1.00 0.00 H new ATOM 0 HB2 PRO A 805 11.921 12.781 1.082 1.00 0.00 H new ATOM 0 HB3 PRO A 805 10.417 11.889 1.198 1.00 0.00 H new ATOM 0 HG2 PRO A 805 12.309 11.721 3.117 1.00 0.00 H new ATOM 0 HG3 PRO A 805 11.278 10.359 2.724 1.00 0.00 H new ATOM 0 HD2 PRO A 805 14.138 10.865 1.882 1.00 0.00 H new ATOM 0 HD3 PRO A 805 13.396 9.366 2.405 1.00 0.00 H new ATOM 1523 N GLU A 806 13.747 11.462 -1.559 1.00 0.00 N ATOM 1524 CA GLU A 806 14.485 12.201 -2.572 1.00 0.00 C ATOM 1525 C GLU A 806 14.774 11.328 -3.789 1.00 0.00 C ATOM 1526 O GLU A 806 15.102 11.835 -4.862 1.00 0.00 O ATOM 1527 CB GLU A 806 15.802 12.705 -1.989 1.00 0.00 C ATOM 1528 CG GLU A 806 15.629 13.608 -0.779 1.00 0.00 C ATOM 1529 CD GLU A 806 16.953 14.022 -0.168 1.00 0.00 C ATOM 1530 OE1 GLU A 806 17.547 15.010 -0.649 1.00 0.00 O ATOM 1531 OE2 GLU A 806 17.397 13.357 0.792 1.00 0.00 O ATOM 0 H GLU A 806 14.245 10.653 -1.188 1.00 0.00 H new ATOM 0 HA GLU A 806 13.871 13.045 -2.888 1.00 0.00 H new ATOM 0 HB2 GLU A 806 16.416 11.849 -1.708 1.00 0.00 H new ATOM 0 HB3 GLU A 806 16.347 13.248 -2.761 1.00 0.00 H new ATOM 0 HG2 GLU A 806 15.073 14.499 -1.071 1.00 0.00 H new ATOM 0 HG3 GLU A 806 15.031 13.092 -0.027 1.00 0.00 H new ATOM 1538 N SER A 807 14.652 10.014 -3.616 1.00 0.00 N ATOM 1539 CA SER A 807 14.912 9.074 -4.706 1.00 0.00 C ATOM 1540 C SER A 807 14.029 9.365 -5.897 1.00 0.00 C ATOM 1541 O SER A 807 14.455 10.003 -6.860 1.00 0.00 O ATOM 1542 CB SER A 807 14.683 7.641 -4.256 1.00 0.00 C ATOM 1543 OG SER A 807 14.524 6.773 -5.364 1.00 0.00 O ATOM 0 H SER A 807 14.376 9.577 -2.737 1.00 0.00 H new ATOM 0 HA SER A 807 15.956 9.197 -4.995 1.00 0.00 H new ATOM 0 HB2 SER A 807 15.525 7.309 -3.649 1.00 0.00 H new ATOM 0 HB3 SER A 807 13.796 7.593 -3.624 1.00 0.00 H new ATOM 0 HG SER A 807 14.223 5.894 -5.051 1.00 0.00 H new ATOM 1549 N GLU A 808 12.791 8.901 -5.811 1.00 0.00 N ATOM 1550 CA GLU A 808 11.833 9.079 -6.882 1.00 0.00 C ATOM 1551 C GLU A 808 10.527 8.364 -6.555 1.00 0.00 C ATOM 1552 O GLU A 808 9.455 8.968 -6.568 1.00 0.00 O ATOM 1553 CB GLU A 808 12.421 8.530 -8.183 1.00 0.00 C ATOM 1554 CG GLU A 808 11.379 8.110 -9.196 1.00 0.00 C ATOM 1555 CD GLU A 808 10.522 9.268 -9.672 1.00 0.00 C ATOM 1556 OE1 GLU A 808 10.957 9.986 -10.597 1.00 0.00 O ATOM 1557 OE2 GLU A 808 9.417 9.456 -9.123 1.00 0.00 O ATOM 0 H GLU A 808 12.428 8.395 -5.003 1.00 0.00 H new ATOM 0 HA GLU A 808 11.621 10.142 -6.998 1.00 0.00 H new ATOM 0 HB2 GLU A 808 13.063 9.290 -8.630 1.00 0.00 H new ATOM 0 HB3 GLU A 808 13.055 7.674 -7.951 1.00 0.00 H new ATOM 0 HG2 GLU A 808 11.875 7.655 -10.053 1.00 0.00 H new ATOM 0 HG3 GLU A 808 10.738 7.346 -8.756 1.00 0.00 H new ATOM 1564 N TYR A 809 10.631 7.074 -6.254 1.00 0.00 N ATOM 1565 CA TYR A 809 9.455 6.270 -5.943 1.00 0.00 C ATOM 1566 C TYR A 809 8.800 6.720 -4.653 1.00 0.00 C ATOM 1567 O TYR A 809 7.580 6.671 -4.514 1.00 0.00 O ATOM 1568 CB TYR A 809 9.801 4.808 -5.811 1.00 0.00 C ATOM 1569 CG TYR A 809 11.047 4.403 -6.529 1.00 0.00 C ATOM 1570 CD1 TYR A 809 11.336 4.797 -7.821 1.00 0.00 C ATOM 1571 CD2 TYR A 809 11.940 3.636 -5.871 1.00 0.00 C ATOM 1572 CE1 TYR A 809 12.513 4.405 -8.426 1.00 0.00 C ATOM 1573 CE2 TYR A 809 13.109 3.234 -6.433 1.00 0.00 C ATOM 1574 CZ TYR A 809 13.401 3.619 -7.729 1.00 0.00 C ATOM 1575 OH TYR A 809 14.568 3.225 -8.330 1.00 0.00 O ATOM 0 H TYR A 809 11.514 6.565 -6.219 1.00 0.00 H new ATOM 0 HA TYR A 809 8.764 6.409 -6.774 1.00 0.00 H new ATOM 0 HB2 TYR A 809 9.910 4.567 -4.754 1.00 0.00 H new ATOM 0 HB3 TYR A 809 8.969 4.214 -6.189 1.00 0.00 H new ATOM 0 HD1 TYR A 809 10.636 5.416 -8.362 1.00 0.00 H new ATOM 0 HD2 TYR A 809 11.717 3.330 -4.859 1.00 0.00 H new ATOM 0 HE1 TYR A 809 12.735 4.713 -9.437 1.00 0.00 H new ATOM 0 HE2 TYR A 809 13.802 2.622 -5.875 1.00 0.00 H new ATOM 0 HH TYR A 809 14.505 3.375 -9.296 1.00 0.00 H new ATOM 1585 N TYR A 810 9.622 7.128 -3.696 1.00 0.00 N ATOM 1586 CA TYR A 810 9.121 7.570 -2.408 1.00 0.00 C ATOM 1587 C TYR A 810 8.007 8.595 -2.582 1.00 0.00 C ATOM 1588 O TYR A 810 6.892 8.390 -2.110 1.00 0.00 O ATOM 1589 CB TYR A 810 10.251 8.153 -1.564 1.00 0.00 C ATOM 1590 CG TYR A 810 9.916 8.272 -0.096 1.00 0.00 C ATOM 1591 CD1 TYR A 810 8.715 8.800 0.317 1.00 0.00 C ATOM 1592 CD2 TYR A 810 10.812 7.868 0.871 1.00 0.00 C ATOM 1593 CE1 TYR A 810 8.414 8.921 1.655 1.00 0.00 C ATOM 1594 CE2 TYR A 810 10.525 7.982 2.212 1.00 0.00 C ATOM 1595 CZ TYR A 810 9.321 8.511 2.602 1.00 0.00 C ATOM 1596 OH TYR A 810 9.022 8.632 3.940 1.00 0.00 O ATOM 0 H TYR A 810 10.637 7.161 -3.790 1.00 0.00 H new ATOM 0 HA TYR A 810 8.711 6.703 -1.889 1.00 0.00 H new ATOM 0 HB2 TYR A 810 11.136 7.526 -1.676 1.00 0.00 H new ATOM 0 HB3 TYR A 810 10.508 9.140 -1.950 1.00 0.00 H new ATOM 0 HD1 TYR A 810 7.996 9.125 -0.421 1.00 0.00 H new ATOM 0 HD2 TYR A 810 11.762 7.452 0.569 1.00 0.00 H new ATOM 0 HE1 TYR A 810 7.466 9.338 1.960 1.00 0.00 H new ATOM 0 HE2 TYR A 810 11.242 7.658 2.952 1.00 0.00 H new ATOM 0 HH TYR A 810 9.144 7.766 4.382 1.00 0.00 H new ATOM 1606 N LYS A 811 8.303 9.707 -3.234 1.00 0.00 N ATOM 1607 CA LYS A 811 7.279 10.716 -3.447 1.00 0.00 C ATOM 1608 C LYS A 811 6.151 10.100 -4.232 1.00 0.00 C ATOM 1609 O LYS A 811 4.995 10.415 -4.017 1.00 0.00 O ATOM 1610 CB LYS A 811 7.814 11.918 -4.208 1.00 0.00 C ATOM 1611 CG LYS A 811 9.291 12.135 -4.017 1.00 0.00 C ATOM 1612 CD LYS A 811 9.861 13.054 -5.081 1.00 0.00 C ATOM 1613 CE LYS A 811 10.202 12.283 -6.342 1.00 0.00 C ATOM 1614 NZ LYS A 811 10.120 13.139 -7.559 1.00 0.00 N ATOM 0 H LYS A 811 9.221 9.931 -3.617 1.00 0.00 H new ATOM 0 HA LYS A 811 6.937 11.064 -2.472 1.00 0.00 H new ATOM 0 HB2 LYS A 811 7.607 11.788 -5.270 1.00 0.00 H new ATOM 0 HB3 LYS A 811 7.278 12.811 -3.886 1.00 0.00 H new ATOM 0 HG2 LYS A 811 9.472 12.562 -3.031 1.00 0.00 H new ATOM 0 HG3 LYS A 811 9.808 11.176 -4.049 1.00 0.00 H new ATOM 0 HD2 LYS A 811 9.140 13.837 -5.314 1.00 0.00 H new ATOM 0 HD3 LYS A 811 10.755 13.547 -4.699 1.00 0.00 H new ATOM 0 HE2 LYS A 811 11.208 11.872 -6.255 1.00 0.00 H new ATOM 0 HE3 LYS A 811 9.521 11.439 -6.446 1.00 0.00 H new ATOM 0 HZ1 LYS A 811 10.360 12.573 -8.398 1.00 0.00 H new ATOM 0 HZ2 LYS A 811 9.154 13.511 -7.657 1.00 0.00 H new ATOM 0 HZ3 LYS A 811 10.789 13.931 -7.472 1.00 0.00 H new ATOM 1628 N CYS A 812 6.512 9.225 -5.162 1.00 0.00 N ATOM 1629 CA CYS A 812 5.533 8.529 -5.973 1.00 0.00 C ATOM 1630 C CYS A 812 4.609 7.728 -5.076 1.00 0.00 C ATOM 1631 O CYS A 812 3.471 7.448 -5.427 1.00 0.00 O ATOM 1632 CB CYS A 812 6.233 7.597 -6.955 1.00 0.00 C ATOM 1633 SG CYS A 812 6.745 8.381 -8.501 1.00 0.00 S ATOM 0 H CYS A 812 7.481 8.983 -5.371 1.00 0.00 H new ATOM 0 HA CYS A 812 4.951 9.260 -6.534 1.00 0.00 H new ATOM 0 HB2 CYS A 812 7.112 7.173 -6.470 1.00 0.00 H new ATOM 0 HB3 CYS A 812 5.565 6.767 -7.187 1.00 0.00 H new ATOM 0 HG CYS A 812 7.958 8.833 -8.378 1.00 0.00 H new ATOM 1639 N ALA A 813 5.122 7.361 -3.913 1.00 0.00 N ATOM 1640 CA ALA A 813 4.353 6.606 -2.944 1.00 0.00 C ATOM 1641 C ALA A 813 3.305 7.504 -2.327 1.00 0.00 C ATOM 1642 O ALA A 813 2.135 7.164 -2.273 1.00 0.00 O ATOM 1643 CB ALA A 813 5.268 6.045 -1.873 1.00 0.00 C ATOM 0 H ALA A 813 6.074 7.577 -3.618 1.00 0.00 H new ATOM 0 HA ALA A 813 3.860 5.772 -3.443 1.00 0.00 H new ATOM 0 HB1 ALA A 813 4.679 5.480 -1.151 1.00 0.00 H new ATOM 0 HB2 ALA A 813 6.006 5.388 -2.333 1.00 0.00 H new ATOM 0 HB3 ALA A 813 5.778 6.863 -1.364 1.00 0.00 H new ATOM 1649 N ASN A 814 3.758 8.660 -1.871 1.00 0.00 N ATOM 1650 CA ASN A 814 2.908 9.663 -1.269 1.00 0.00 C ATOM 1651 C ASN A 814 1.922 10.205 -2.300 1.00 0.00 C ATOM 1652 O ASN A 814 0.742 10.422 -2.020 1.00 0.00 O ATOM 1653 CB ASN A 814 3.800 10.787 -0.783 1.00 0.00 C ATOM 1654 CG ASN A 814 3.093 11.746 0.155 1.00 0.00 C ATOM 1655 OD1 ASN A 814 3.166 11.468 1.451 1.00 0.00 O flip ATOM 1656 ND2 ASN A 814 2.490 12.726 -0.281 1.00 0.00 N flip ATOM 0 H ASN A 814 4.741 8.928 -1.911 1.00 0.00 H new ATOM 0 HA ASN A 814 2.341 9.232 -0.444 1.00 0.00 H new ATOM 0 HB2 ASN A 814 4.665 10.362 -0.274 1.00 0.00 H new ATOM 0 HB3 ASN A 814 4.177 11.341 -1.643 1.00 0.00 H new ATOM 0 HD21 ASN A 814 2.460 12.901 -1.285 1.00 0.00 H new ATOM 0 HD22 ASN A 814 2.020 13.363 0.362 1.00 0.00 H new ATOM 1663 N ILE A 815 2.445 10.403 -3.502 1.00 0.00 N ATOM 1664 CA ILE A 815 1.688 10.919 -4.631 1.00 0.00 C ATOM 1665 C ILE A 815 0.586 9.952 -4.982 1.00 0.00 C ATOM 1666 O ILE A 815 -0.591 10.304 -5.004 1.00 0.00 O ATOM 1667 CB ILE A 815 2.603 11.126 -5.844 1.00 0.00 C ATOM 1668 CG1 ILE A 815 3.327 12.454 -5.721 1.00 0.00 C ATOM 1669 CG2 ILE A 815 1.821 11.061 -7.139 1.00 0.00 C ATOM 1670 CD1 ILE A 815 4.724 12.411 -6.251 1.00 0.00 C ATOM 0 H ILE A 815 3.421 10.206 -3.722 1.00 0.00 H new ATOM 0 HA ILE A 815 1.256 11.881 -4.355 1.00 0.00 H new ATOM 0 HB ILE A 815 3.338 10.321 -5.863 1.00 0.00 H new ATOM 0 HG12 ILE A 815 2.765 13.219 -6.257 1.00 0.00 H new ATOM 0 HG13 ILE A 815 3.351 12.752 -4.673 1.00 0.00 H new ATOM 0 HG21 ILE A 815 2.497 11.211 -7.980 1.00 0.00 H new ATOM 0 HG22 ILE A 815 1.344 10.085 -7.227 1.00 0.00 H new ATOM 0 HG23 ILE A 815 1.058 11.840 -7.143 1.00 0.00 H new ATOM 0 HD11 ILE A 815 5.188 13.391 -6.134 1.00 0.00 H new ATOM 0 HD12 ILE A 815 5.300 11.669 -5.699 1.00 0.00 H new ATOM 0 HD13 ILE A 815 4.704 12.142 -7.307 1.00 0.00 H new ATOM 1682 N LEU A 816 0.991 8.734 -5.281 1.00 0.00 N ATOM 1683 CA LEU A 816 0.055 7.682 -5.584 1.00 0.00 C ATOM 1684 C LEU A 816 -0.917 7.579 -4.439 1.00 0.00 C ATOM 1685 O LEU A 816 -2.117 7.697 -4.615 1.00 0.00 O ATOM 1686 CB LEU A 816 0.795 6.366 -5.754 1.00 0.00 C ATOM 1687 CG LEU A 816 0.147 5.373 -6.689 1.00 0.00 C ATOM 1688 CD1 LEU A 816 0.940 4.108 -6.700 1.00 0.00 C ATOM 1689 CD2 LEU A 816 -1.268 5.135 -6.278 1.00 0.00 C ATOM 0 H LEU A 816 1.970 8.452 -5.319 1.00 0.00 H new ATOM 0 HA LEU A 816 -0.475 7.902 -6.511 1.00 0.00 H new ATOM 0 HB2 LEU A 816 1.800 6.579 -6.118 1.00 0.00 H new ATOM 0 HB3 LEU A 816 0.902 5.900 -4.774 1.00 0.00 H new ATOM 0 HG LEU A 816 0.133 5.772 -7.703 1.00 0.00 H new ATOM 0 HD11 LEU A 816 0.472 3.391 -7.375 1.00 0.00 H new ATOM 0 HD12 LEU A 816 1.954 4.317 -7.039 1.00 0.00 H new ATOM 0 HD13 LEU A 816 0.973 3.691 -5.694 1.00 0.00 H new ATOM 0 HD21 LEU A 816 -1.728 4.418 -6.957 1.00 0.00 H new ATOM 0 HD22 LEU A 816 -1.290 4.739 -5.263 1.00 0.00 H new ATOM 0 HD23 LEU A 816 -1.820 6.074 -6.313 1.00 0.00 H new ATOM 1701 N GLU A 817 -0.365 7.393 -3.258 1.00 0.00 N ATOM 1702 CA GLU A 817 -1.154 7.286 -2.048 1.00 0.00 C ATOM 1703 C GLU A 817 -2.217 8.390 -1.993 1.00 0.00 C ATOM 1704 O GLU A 817 -3.261 8.236 -1.378 1.00 0.00 O ATOM 1705 CB GLU A 817 -0.233 7.392 -0.836 1.00 0.00 C ATOM 1706 CG GLU A 817 -0.903 6.969 0.459 1.00 0.00 C ATOM 1707 CD GLU A 817 0.055 6.919 1.632 1.00 0.00 C ATOM 1708 OE1 GLU A 817 0.702 5.869 1.829 1.00 0.00 O ATOM 1709 OE2 GLU A 817 0.156 7.932 2.357 1.00 0.00 O ATOM 0 H GLU A 817 0.641 7.312 -3.110 1.00 0.00 H new ATOM 0 HA GLU A 817 -1.662 6.322 -2.042 1.00 0.00 H new ATOM 0 HB2 GLU A 817 0.648 6.772 -1.001 1.00 0.00 H new ATOM 0 HB3 GLU A 817 0.114 8.421 -0.740 1.00 0.00 H new ATOM 0 HG2 GLU A 817 -1.712 7.663 0.687 1.00 0.00 H new ATOM 0 HG3 GLU A 817 -1.355 5.986 0.324 1.00 0.00 H new ATOM 1716 N LYS A 818 -1.926 9.510 -2.628 1.00 0.00 N ATOM 1717 CA LYS A 818 -2.824 10.633 -2.689 1.00 0.00 C ATOM 1718 C LYS A 818 -3.882 10.427 -3.784 1.00 0.00 C ATOM 1719 O LYS A 818 -5.084 10.490 -3.513 1.00 0.00 O ATOM 1720 CB LYS A 818 -1.939 11.819 -2.907 1.00 0.00 C ATOM 1721 CG LYS A 818 -2.395 12.729 -3.979 1.00 0.00 C ATOM 1722 CD LYS A 818 -1.219 13.461 -4.591 1.00 0.00 C ATOM 1723 CE LYS A 818 -1.250 13.370 -6.102 1.00 0.00 C ATOM 1724 NZ LYS A 818 -2.475 13.994 -6.675 1.00 0.00 N ATOM 0 H LYS A 818 -1.046 9.661 -3.121 1.00 0.00 H new ATOM 0 HA LYS A 818 -3.411 10.768 -1.780 1.00 0.00 H new ATOM 0 HB2 LYS A 818 -1.868 12.381 -1.976 1.00 0.00 H new ATOM 0 HB3 LYS A 818 -0.935 11.469 -3.146 1.00 0.00 H new ATOM 0 HG2 LYS A 818 -2.917 12.161 -4.749 1.00 0.00 H new ATOM 0 HG3 LYS A 818 -3.108 13.448 -3.575 1.00 0.00 H new ATOM 0 HD2 LYS A 818 -1.238 14.507 -4.286 1.00 0.00 H new ATOM 0 HD3 LYS A 818 -0.287 13.037 -4.217 1.00 0.00 H new ATOM 0 HE2 LYS A 818 -0.368 13.861 -6.513 1.00 0.00 H new ATOM 0 HE3 LYS A 818 -1.202 12.323 -6.403 1.00 0.00 H new ATOM 0 HZ1 LYS A 818 -2.365 14.093 -7.704 1.00 0.00 H new ATOM 0 HZ2 LYS A 818 -3.299 13.393 -6.471 1.00 0.00 H new ATOM 0 HZ3 LYS A 818 -2.618 14.932 -6.250 1.00 0.00 H new ATOM 1738 N PHE A 819 -3.435 10.179 -5.018 1.00 0.00 N ATOM 1739 CA PHE A 819 -4.351 9.911 -6.125 1.00 0.00 C ATOM 1740 C PHE A 819 -5.238 8.757 -5.702 1.00 0.00 C ATOM 1741 O PHE A 819 -6.466 8.848 -5.714 1.00 0.00 O ATOM 1742 CB PHE A 819 -3.531 9.568 -7.376 1.00 0.00 C ATOM 1743 CG PHE A 819 -4.241 8.784 -8.459 1.00 0.00 C ATOM 1744 CD1 PHE A 819 -4.667 7.479 -8.243 1.00 0.00 C ATOM 1745 CD2 PHE A 819 -4.434 9.341 -9.712 1.00 0.00 C ATOM 1746 CE1 PHE A 819 -5.267 6.753 -9.233 1.00 0.00 C ATOM 1747 CE2 PHE A 819 -5.046 8.617 -10.718 1.00 0.00 C ATOM 1748 CZ PHE A 819 -5.461 7.320 -10.478 1.00 0.00 C ATOM 0 H PHE A 819 -2.448 10.159 -5.273 1.00 0.00 H new ATOM 0 HA PHE A 819 -4.972 10.775 -6.363 1.00 0.00 H new ATOM 0 HB2 PHE A 819 -3.169 10.499 -7.812 1.00 0.00 H new ATOM 0 HB3 PHE A 819 -2.655 9.000 -7.064 1.00 0.00 H new ATOM 0 HD1 PHE A 819 -4.521 7.029 -7.272 1.00 0.00 H new ATOM 0 HD2 PHE A 819 -4.103 10.351 -9.905 1.00 0.00 H new ATOM 0 HE1 PHE A 819 -5.588 5.740 -9.043 1.00 0.00 H new ATOM 0 HE2 PHE A 819 -5.200 9.063 -11.689 1.00 0.00 H new ATOM 0 HZ PHE A 819 -5.936 6.751 -11.263 1.00 0.00 H new ATOM 1758 N PHE A 820 -4.573 7.664 -5.355 1.00 0.00 N ATOM 1759 CA PHE A 820 -5.219 6.477 -4.844 1.00 0.00 C ATOM 1760 C PHE A 820 -6.233 6.898 -3.809 1.00 0.00 C ATOM 1761 O PHE A 820 -7.385 6.516 -3.906 1.00 0.00 O ATOM 1762 CB PHE A 820 -4.140 5.536 -4.309 1.00 0.00 C ATOM 1763 CG PHE A 820 -4.392 4.869 -3.005 1.00 0.00 C ATOM 1764 CD1 PHE A 820 -3.994 5.408 -1.807 1.00 0.00 C ATOM 1765 CD2 PHE A 820 -4.950 3.648 -3.009 1.00 0.00 C ATOM 1766 CE1 PHE A 820 -4.187 4.710 -0.630 1.00 0.00 C ATOM 1767 CE2 PHE A 820 -5.135 2.941 -1.870 1.00 0.00 C ATOM 1768 CZ PHE A 820 -4.762 3.461 -0.670 1.00 0.00 C ATOM 0 H PHE A 820 -3.559 7.582 -5.424 1.00 0.00 H new ATOM 0 HA PHE A 820 -5.762 5.930 -5.614 1.00 0.00 H new ATOM 0 HB2 PHE A 820 -3.971 4.760 -5.056 1.00 0.00 H new ATOM 0 HB3 PHE A 820 -3.213 6.103 -4.223 1.00 0.00 H new ATOM 0 HD1 PHE A 820 -3.528 6.382 -1.784 1.00 0.00 H new ATOM 0 HD2 PHE A 820 -5.261 3.217 -3.949 1.00 0.00 H new ATOM 0 HE1 PHE A 820 -3.889 5.142 0.314 1.00 0.00 H new ATOM 0 HE2 PHE A 820 -5.581 1.959 -1.914 1.00 0.00 H new ATOM 0 HZ PHE A 820 -4.915 2.900 0.240 1.00 0.00 H new ATOM 1778 N PHE A 821 -5.825 7.773 -2.885 1.00 0.00 N ATOM 1779 CA PHE A 821 -6.735 8.244 -1.848 1.00 0.00 C ATOM 1780 C PHE A 821 -8.023 8.800 -2.411 1.00 0.00 C ATOM 1781 O PHE A 821 -9.070 8.650 -1.797 1.00 0.00 O ATOM 1782 CB PHE A 821 -6.062 9.241 -0.920 1.00 0.00 C ATOM 1783 CG PHE A 821 -5.866 8.641 0.426 1.00 0.00 C ATOM 1784 CD1 PHE A 821 -5.157 7.481 0.504 1.00 0.00 C ATOM 1785 CD2 PHE A 821 -6.428 9.167 1.577 1.00 0.00 C ATOM 1786 CE1 PHE A 821 -4.983 6.820 1.688 1.00 0.00 C ATOM 1787 CE2 PHE A 821 -6.253 8.523 2.792 1.00 0.00 C ATOM 1788 CZ PHE A 821 -5.528 7.342 2.847 1.00 0.00 C ATOM 0 H PHE A 821 -4.883 8.162 -2.837 1.00 0.00 H new ATOM 0 HA PHE A 821 -7.004 7.368 -1.257 1.00 0.00 H new ATOM 0 HB2 PHE A 821 -5.100 9.543 -1.335 1.00 0.00 H new ATOM 0 HB3 PHE A 821 -6.671 10.142 -0.839 1.00 0.00 H new ATOM 0 HD1 PHE A 821 -4.720 7.072 -0.395 1.00 0.00 H new ATOM 0 HD2 PHE A 821 -7.003 10.080 1.528 1.00 0.00 H new ATOM 0 HE1 PHE A 821 -4.424 5.897 1.718 1.00 0.00 H new ATOM 0 HE2 PHE A 821 -6.680 8.939 3.693 1.00 0.00 H new ATOM 0 HZ PHE A 821 -5.390 6.833 3.789 1.00 0.00 H new ATOM 1798 N SER A 822 -7.958 9.438 -3.566 1.00 0.00 N ATOM 1799 CA SER A 822 -9.163 9.976 -4.182 1.00 0.00 C ATOM 1800 C SER A 822 -9.966 8.855 -4.837 1.00 0.00 C ATOM 1801 O SER A 822 -11.183 8.950 -4.973 1.00 0.00 O ATOM 1802 CB SER A 822 -8.815 11.054 -5.209 1.00 0.00 C ATOM 1803 OG SER A 822 -8.117 12.129 -4.604 1.00 0.00 O ATOM 0 H SER A 822 -7.098 9.596 -4.092 1.00 0.00 H new ATOM 0 HA SER A 822 -9.771 10.435 -3.402 1.00 0.00 H new ATOM 0 HB2 SER A 822 -8.206 10.621 -6.003 1.00 0.00 H new ATOM 0 HB3 SER A 822 -9.728 11.425 -5.675 1.00 0.00 H new ATOM 0 HG SER A 822 -7.905 12.804 -5.282 1.00 0.00 H new ATOM 1809 N LYS A 823 -9.269 7.795 -5.243 1.00 0.00 N ATOM 1810 CA LYS A 823 -9.904 6.636 -5.866 1.00 0.00 C ATOM 1811 C LYS A 823 -10.653 5.846 -4.818 1.00 0.00 C ATOM 1812 O LYS A 823 -11.859 5.649 -4.916 1.00 0.00 O ATOM 1813 CB LYS A 823 -8.841 5.764 -6.540 1.00 0.00 C ATOM 1814 CG LYS A 823 -8.021 6.495 -7.577 1.00 0.00 C ATOM 1815 CD LYS A 823 -8.904 7.209 -8.576 1.00 0.00 C ATOM 1816 CE LYS A 823 -8.251 8.464 -9.103 1.00 0.00 C ATOM 1817 NZ LYS A 823 -9.249 9.430 -9.639 1.00 0.00 N ATOM 0 H LYS A 823 -8.256 7.716 -5.150 1.00 0.00 H new ATOM 0 HA LYS A 823 -10.611 6.970 -6.625 1.00 0.00 H new ATOM 0 HB2 LYS A 823 -8.173 5.366 -5.776 1.00 0.00 H new ATOM 0 HB3 LYS A 823 -9.329 4.911 -7.012 1.00 0.00 H new ATOM 0 HG2 LYS A 823 -7.369 7.216 -7.085 1.00 0.00 H new ATOM 0 HG3 LYS A 823 -7.377 5.787 -8.099 1.00 0.00 H new ATOM 0 HD2 LYS A 823 -9.129 6.540 -9.406 1.00 0.00 H new ATOM 0 HD3 LYS A 823 -9.854 7.463 -8.105 1.00 0.00 H new ATOM 0 HE2 LYS A 823 -7.680 8.938 -8.305 1.00 0.00 H new ATOM 0 HE3 LYS A 823 -7.543 8.201 -9.889 1.00 0.00 H new ATOM 0 HZ1 LYS A 823 -8.758 10.277 -9.990 1.00 0.00 H new ATOM 0 HZ2 LYS A 823 -9.777 8.987 -10.418 1.00 0.00 H new ATOM 0 HZ3 LYS A 823 -9.910 9.701 -8.883 1.00 0.00 H new ATOM 1831 N ILE A 824 -9.928 5.387 -3.822 1.00 0.00 N ATOM 1832 CA ILE A 824 -10.539 4.670 -2.724 1.00 0.00 C ATOM 1833 C ILE A 824 -11.689 5.499 -2.176 1.00 0.00 C ATOM 1834 O ILE A 824 -12.795 5.012 -1.969 1.00 0.00 O ATOM 1835 CB ILE A 824 -9.538 4.441 -1.614 1.00 0.00 C ATOM 1836 CG1 ILE A 824 -8.500 5.501 -1.652 1.00 0.00 C ATOM 1837 CG2 ILE A 824 -8.893 3.086 -1.748 1.00 0.00 C ATOM 1838 CD1 ILE A 824 -7.380 5.260 -0.713 1.00 0.00 C ATOM 0 H ILE A 824 -8.917 5.497 -3.749 1.00 0.00 H new ATOM 0 HA ILE A 824 -10.894 3.706 -3.088 1.00 0.00 H new ATOM 0 HB ILE A 824 -10.062 4.479 -0.659 1.00 0.00 H new ATOM 0 HG12 ILE A 824 -8.105 5.577 -2.665 1.00 0.00 H new ATOM 0 HG13 ILE A 824 -8.962 6.460 -1.417 1.00 0.00 H new ATOM 0 HG21 ILE A 824 -8.177 2.943 -0.939 1.00 0.00 H new ATOM 0 HG22 ILE A 824 -9.659 2.312 -1.696 1.00 0.00 H new ATOM 0 HG23 ILE A 824 -8.377 3.022 -2.706 1.00 0.00 H new ATOM 0 HD11 ILE A 824 -6.658 6.072 -0.792 1.00 0.00 H new ATOM 0 HD12 ILE A 824 -7.763 5.213 0.306 1.00 0.00 H new ATOM 0 HD13 ILE A 824 -6.894 4.317 -0.961 1.00 0.00 H new ATOM 1850 N LYS A 825 -11.396 6.782 -1.989 1.00 0.00 N ATOM 1851 CA LYS A 825 -12.360 7.750 -1.472 1.00 0.00 C ATOM 1852 C LYS A 825 -13.635 7.671 -2.281 1.00 0.00 C ATOM 1853 O LYS A 825 -14.738 7.529 -1.752 1.00 0.00 O ATOM 1854 CB LYS A 825 -11.814 9.176 -1.614 1.00 0.00 C ATOM 1855 CG LYS A 825 -11.376 9.832 -0.315 1.00 0.00 C ATOM 1856 CD LYS A 825 -12.515 10.572 0.349 1.00 0.00 C ATOM 1857 CE LYS A 825 -13.358 9.633 1.185 1.00 0.00 C ATOM 1858 NZ LYS A 825 -12.754 9.386 2.524 1.00 0.00 N ATOM 0 H LYS A 825 -10.480 7.182 -2.192 1.00 0.00 H new ATOM 0 HA LYS A 825 -12.545 7.520 -0.423 1.00 0.00 H new ATOM 0 HB2 LYS A 825 -10.965 9.157 -2.297 1.00 0.00 H new ATOM 0 HB3 LYS A 825 -12.581 9.798 -2.076 1.00 0.00 H new ATOM 0 HG2 LYS A 825 -10.990 9.072 0.365 1.00 0.00 H new ATOM 0 HG3 LYS A 825 -10.559 10.525 -0.515 1.00 0.00 H new ATOM 0 HD2 LYS A 825 -12.118 11.368 0.979 1.00 0.00 H new ATOM 0 HD3 LYS A 825 -13.137 11.046 -0.410 1.00 0.00 H new ATOM 0 HE2 LYS A 825 -14.356 10.054 1.309 1.00 0.00 H new ATOM 0 HE3 LYS A 825 -13.475 8.685 0.659 1.00 0.00 H new ATOM 0 HZ1 LYS A 825 -13.362 8.738 3.065 1.00 0.00 H new ATOM 0 HZ2 LYS A 825 -11.812 8.960 2.407 1.00 0.00 H new ATOM 0 HZ3 LYS A 825 -12.666 10.287 3.036 1.00 0.00 H new ATOM 1872 N GLU A 826 -13.437 7.774 -3.583 1.00 0.00 N ATOM 1873 CA GLU A 826 -14.513 7.742 -4.550 1.00 0.00 C ATOM 1874 C GLU A 826 -15.279 6.439 -4.448 1.00 0.00 C ATOM 1875 O GLU A 826 -16.492 6.397 -4.658 1.00 0.00 O ATOM 1876 CB GLU A 826 -13.920 7.908 -5.958 1.00 0.00 C ATOM 1877 CG GLU A 826 -13.820 6.611 -6.747 1.00 0.00 C ATOM 1878 CD GLU A 826 -15.124 6.224 -7.421 1.00 0.00 C ATOM 1879 OE1 GLU A 826 -15.544 6.939 -8.355 1.00 0.00 O ATOM 1880 OE2 GLU A 826 -15.720 5.202 -7.020 1.00 0.00 O ATOM 0 H GLU A 826 -12.513 7.883 -4.001 1.00 0.00 H new ATOM 0 HA GLU A 826 -15.209 8.556 -4.349 1.00 0.00 H new ATOM 0 HB2 GLU A 826 -14.533 8.615 -6.518 1.00 0.00 H new ATOM 0 HB3 GLU A 826 -12.926 8.346 -5.872 1.00 0.00 H new ATOM 0 HG2 GLU A 826 -13.042 6.712 -7.504 1.00 0.00 H new ATOM 0 HG3 GLU A 826 -13.511 5.808 -6.078 1.00 0.00 H new ATOM 1887 N ALA A 827 -14.560 5.377 -4.122 1.00 0.00 N ATOM 1888 CA ALA A 827 -15.163 4.065 -4.023 1.00 0.00 C ATOM 1889 C ALA A 827 -15.603 3.711 -2.605 1.00 0.00 C ATOM 1890 O ALA A 827 -15.874 2.549 -2.317 1.00 0.00 O ATOM 1891 CB ALA A 827 -14.199 3.024 -4.546 1.00 0.00 C ATOM 0 H ALA A 827 -13.560 5.401 -3.922 1.00 0.00 H new ATOM 0 HA ALA A 827 -16.068 4.081 -4.631 1.00 0.00 H new ATOM 0 HB1 ALA A 827 -14.654 2.036 -4.471 1.00 0.00 H new ATOM 0 HB2 ALA A 827 -13.964 3.237 -5.589 1.00 0.00 H new ATOM 0 HB3 ALA A 827 -13.283 3.047 -3.956 1.00 0.00 H new ATOM 1897 N GLY A 828 -15.696 4.703 -1.727 1.00 0.00 N ATOM 1898 CA GLY A 828 -16.105 4.430 -0.359 1.00 0.00 C ATOM 1899 C GLY A 828 -15.174 3.454 0.325 1.00 0.00 C ATOM 1900 O GLY A 828 -15.582 2.692 1.200 1.00 0.00 O ATOM 0 H GLY A 828 -15.498 5.682 -1.933 1.00 0.00 H new ATOM 0 HA2 GLY A 828 -16.131 5.362 0.205 1.00 0.00 H new ATOM 0 HA3 GLY A 828 -17.118 4.028 -0.357 1.00 0.00 H new ATOM 1904 N LEU A 829 -13.918 3.496 -0.076 1.00 0.00 N ATOM 1905 CA LEU A 829 -12.899 2.615 0.450 1.00 0.00 C ATOM 1906 C LEU A 829 -12.425 3.115 1.803 1.00 0.00 C ATOM 1907 O LEU A 829 -13.141 2.967 2.791 1.00 0.00 O ATOM 1908 CB LEU A 829 -11.778 2.553 -0.576 1.00 0.00 C ATOM 1909 CG LEU A 829 -12.215 1.981 -1.931 1.00 0.00 C ATOM 1910 CD1 LEU A 829 -11.101 1.258 -2.619 1.00 0.00 C ATOM 1911 CD2 LEU A 829 -13.401 1.044 -1.795 1.00 0.00 C ATOM 0 H LEU A 829 -13.576 4.148 -0.782 1.00 0.00 H new ATOM 0 HA LEU A 829 -13.285 1.609 0.615 1.00 0.00 H new ATOM 0 HB2 LEU A 829 -11.379 3.556 -0.726 1.00 0.00 H new ATOM 0 HB3 LEU A 829 -10.967 1.943 -0.179 1.00 0.00 H new ATOM 0 HG LEU A 829 -12.508 2.839 -2.536 1.00 0.00 H new ATOM 0 HD11 LEU A 829 -11.454 0.870 -3.574 1.00 0.00 H new ATOM 0 HD12 LEU A 829 -10.273 1.945 -2.791 1.00 0.00 H new ATOM 0 HD13 LEU A 829 -10.763 0.432 -1.994 1.00 0.00 H new ATOM 0 HD21 LEU A 829 -13.677 0.662 -2.778 1.00 0.00 H new ATOM 0 HD22 LEU A 829 -13.134 0.212 -1.144 1.00 0.00 H new ATOM 0 HD23 LEU A 829 -14.244 1.585 -1.366 1.00 0.00 H new ATOM 1923 N ILE A 830 -11.235 3.718 1.827 1.00 0.00 N ATOM 1924 CA ILE A 830 -10.645 4.295 3.019 1.00 0.00 C ATOM 1925 C ILE A 830 -11.472 4.074 4.299 1.00 0.00 C ATOM 1926 O ILE A 830 -11.708 2.928 4.685 1.00 0.00 O ATOM 1927 CB ILE A 830 -10.387 5.769 2.723 1.00 0.00 C ATOM 1928 CG1 ILE A 830 -10.470 5.968 1.219 1.00 0.00 C ATOM 1929 CG2 ILE A 830 -9.011 6.162 3.195 1.00 0.00 C ATOM 1930 CD1 ILE A 830 -9.747 7.175 0.724 1.00 0.00 C ATOM 0 H ILE A 830 -10.649 3.817 0.998 1.00 0.00 H new ATOM 0 HA ILE A 830 -9.709 3.782 3.242 1.00 0.00 H new ATOM 0 HB ILE A 830 -11.124 6.384 3.239 1.00 0.00 H new ATOM 0 HG12 ILE A 830 -10.064 5.086 0.724 1.00 0.00 H new ATOM 0 HG13 ILE A 830 -11.518 6.042 0.930 1.00 0.00 H new ATOM 0 HG21 ILE A 830 -8.839 7.216 2.978 1.00 0.00 H new ATOM 0 HG22 ILE A 830 -8.934 5.995 4.269 1.00 0.00 H new ATOM 0 HG23 ILE A 830 -8.264 5.559 2.680 1.00 0.00 H new ATOM 0 HD11 ILE A 830 -9.855 7.245 -0.358 1.00 0.00 H new ATOM 0 HD12 ILE A 830 -10.167 8.067 1.189 1.00 0.00 H new ATOM 0 HD13 ILE A 830 -8.690 7.096 0.979 1.00 0.00 H new ATOM 1942 N ASP A 831 -11.862 5.149 4.988 1.00 0.00 N ATOM 1943 CA ASP A 831 -12.670 5.039 6.195 1.00 0.00 C ATOM 1944 C ASP A 831 -11.906 4.359 7.331 1.00 0.00 C ATOM 1945 O ASP A 831 -12.439 4.194 8.430 1.00 0.00 O ATOM 1946 CB ASP A 831 -13.969 4.279 5.907 1.00 0.00 C ATOM 1947 CG ASP A 831 -14.874 5.026 4.948 1.00 0.00 C ATOM 1948 OD1 ASP A 831 -14.575 5.036 3.735 1.00 0.00 O ATOM 1949 OD2 ASP A 831 -15.882 5.602 5.408 1.00 0.00 O ATOM 0 H ASP A 831 -11.628 6.107 4.726 1.00 0.00 H new ATOM 0 HA ASP A 831 -12.912 6.052 6.515 1.00 0.00 H new ATOM 0 HB2 ASP A 831 -13.730 3.301 5.489 1.00 0.00 H new ATOM 0 HB3 ASP A 831 -14.500 4.105 6.843 1.00 0.00 H new ATOM 1954 N LYS A 832 -10.662 3.965 7.069 1.00 0.00 N ATOM 1955 CA LYS A 832 -9.842 3.307 8.083 1.00 0.00 C ATOM 1956 C LYS A 832 -9.615 4.226 9.282 1.00 0.00 C ATOM 1957 O LYS A 832 -8.676 5.047 9.232 1.00 0.00 O ATOM 1958 CB LYS A 832 -8.498 2.866 7.493 1.00 0.00 C ATOM 1959 CG LYS A 832 -7.809 3.934 6.657 1.00 0.00 C ATOM 1960 CD LYS A 832 -6.300 3.730 6.618 1.00 0.00 C ATOM 1961 CE LYS A 832 -5.922 2.411 5.960 1.00 0.00 C ATOM 1962 NZ LYS A 832 -4.447 2.209 5.931 1.00 0.00 N ATOM 1963 OXT LYS A 832 -10.382 4.116 10.261 1.00 0.00 O ATOM 0 H LYS A 832 -10.201 4.089 6.167 1.00 0.00 H new ATOM 0 HA LYS A 832 -10.379 2.422 8.424 1.00 0.00 H new ATOM 0 HB2 LYS A 832 -7.835 2.572 8.306 1.00 0.00 H new ATOM 0 HB3 LYS A 832 -8.657 1.982 6.875 1.00 0.00 H new ATOM 0 HG2 LYS A 832 -8.206 3.914 5.642 1.00 0.00 H new ATOM 0 HG3 LYS A 832 -8.033 4.919 7.067 1.00 0.00 H new ATOM 0 HD2 LYS A 832 -5.836 4.553 6.074 1.00 0.00 H new ATOM 0 HD3 LYS A 832 -5.904 3.756 7.633 1.00 0.00 H new ATOM 0 HE2 LYS A 832 -6.391 1.588 6.500 1.00 0.00 H new ATOM 0 HE3 LYS A 832 -6.312 2.388 4.942 1.00 0.00 H new ATOM 0 HZ1 LYS A 832 -4.230 1.300 5.475 1.00 0.00 H new ATOM 0 HZ2 LYS A 832 -4.001 2.980 5.394 1.00 0.00 H new ATOM 0 HZ3 LYS A 832 -4.078 2.206 6.903 1.00 0.00 H new TER 1977 LYS A 832 ATOM 1978 N SER B 31 16.301 0.793 -18.031 1.00 0.00 N ATOM 1979 CA SER B 31 15.905 2.108 -17.464 1.00 0.00 C ATOM 1980 C SER B 31 16.943 2.605 -16.464 1.00 0.00 C ATOM 1981 O SER B 31 17.373 1.863 -15.581 1.00 0.00 O ATOM 1982 CB SER B 31 14.540 1.998 -16.782 1.00 0.00 C ATOM 1983 OG SER B 31 13.541 1.588 -17.699 1.00 0.00 O ATOM 0 HA SER B 31 15.842 2.825 -18.282 1.00 0.00 H new ATOM 0 HB2 SER B 31 14.598 1.285 -15.960 1.00 0.00 H new ATOM 0 HB3 SER B 31 14.268 2.961 -16.350 1.00 0.00 H new ATOM 0 HG SER B 31 13.952 1.062 -18.417 1.00 0.00 H new ATOM 1991 N THR B 32 17.343 3.864 -16.609 1.00 0.00 N ATOM 1992 CA THR B 32 18.331 4.460 -15.717 1.00 0.00 C ATOM 1993 C THR B 32 17.659 5.149 -14.533 1.00 0.00 C ATOM 1994 O THR B 32 18.298 5.897 -13.793 1.00 0.00 O ATOM 1995 CB THR B 32 19.217 5.477 -16.462 1.00 0.00 C ATOM 1996 OG1 THR B 32 20.215 6.003 -15.577 1.00 0.00 O ATOM 1997 CG2 THR B 32 18.381 6.617 -17.025 1.00 0.00 C ATOM 0 H THR B 32 16.998 4.491 -17.336 1.00 0.00 H new ATOM 0 HA THR B 32 18.958 3.648 -15.348 1.00 0.00 H new ATOM 0 HB THR B 32 19.702 4.960 -17.290 1.00 0.00 H new ATOM 0 HG1 THR B 32 19.860 6.032 -14.664 1.00 0.00 H new ATOM 0 HG21 THR B 32 19.030 7.321 -17.546 1.00 0.00 H new ATOM 0 HG22 THR B 32 17.644 6.218 -17.722 1.00 0.00 H new ATOM 0 HG23 THR B 32 17.869 7.130 -16.210 1.00 0.00 H new ATOM 2005 N GLY B 33 16.366 4.889 -14.359 1.00 0.00 N ATOM 2006 CA GLY B 33 15.630 5.492 -13.263 1.00 0.00 C ATOM 2007 C GLY B 33 14.527 4.593 -12.739 1.00 0.00 C ATOM 2008 O GLY B 33 14.043 4.781 -11.623 1.00 0.00 O ATOM 0 H GLY B 33 15.816 4.272 -14.957 1.00 0.00 H new ATOM 0 HA2 GLY B 33 16.320 5.726 -12.452 1.00 0.00 H new ATOM 0 HA3 GLY B 33 15.198 6.436 -13.596 1.00 0.00 H new ATOM 2012 N GLY B 34 14.128 3.614 -13.546 1.00 0.00 N ATOM 2013 CA GLY B 34 13.078 2.698 -13.138 1.00 0.00 C ATOM 2014 C GLY B 34 13.619 1.346 -12.717 1.00 0.00 C ATOM 2015 O GLY B 34 13.457 0.356 -13.430 1.00 0.00 O ATOM 0 H GLY B 34 14.513 3.439 -14.474 1.00 0.00 H new ATOM 0 HA2 GLY B 34 12.519 3.136 -12.311 1.00 0.00 H new ATOM 0 HA3 GLY B 34 12.376 2.565 -13.961 1.00 0.00 H new ATOM 2019 N VAL B 35 14.263 1.304 -11.554 1.00 0.00 N ATOM 2020 CA VAL B 35 14.828 0.064 -11.036 1.00 0.00 C ATOM 2021 C VAL B 35 14.373 -0.200 -9.604 1.00 0.00 C ATOM 2022 O VAL B 35 13.397 -0.917 -9.379 1.00 0.00 O ATOM 2023 CB VAL B 35 16.370 0.077 -11.094 1.00 0.00 C ATOM 2024 CG1 VAL B 35 16.852 -0.427 -12.447 1.00 0.00 C ATOM 2025 CG2 VAL B 35 16.906 1.478 -10.824 1.00 0.00 C ATOM 0 H VAL B 35 14.406 2.116 -10.953 1.00 0.00 H new ATOM 0 HA VAL B 35 14.461 -0.739 -11.675 1.00 0.00 H new ATOM 0 HB VAL B 35 16.750 -0.589 -10.319 1.00 0.00 H new ATOM 0 HG11 VAL B 35 17.942 -0.412 -12.474 1.00 0.00 H new ATOM 0 HG12 VAL B 35 16.499 -1.446 -12.602 1.00 0.00 H new ATOM 0 HG13 VAL B 35 16.461 0.216 -13.235 1.00 0.00 H new ATOM 0 HG21 VAL B 35 17.995 1.466 -10.869 1.00 0.00 H new ATOM 0 HG22 VAL B 35 16.519 2.167 -11.575 1.00 0.00 H new ATOM 0 HG23 VAL B 35 16.588 1.805 -9.834 1.00 0.00 H new HETATM 2035 OH ALY B 36 10.437 0.642 -6.244 1.00 0.00 O HETATM 2036 CH ALY B 36 9.982 0.191 -5.195 1.00 0.00 C HETATM 2037 CH3 ALY B 36 8.837 0.940 -4.499 1.00 0.00 C HETATM 2038 NZ ALY B 36 10.606 -0.761 -4.513 1.00 0.00 N HETATM 2039 CE ALY B 36 11.523 -1.725 -5.119 1.00 0.00 C HETATM 2040 CD ALY B 36 12.909 -1.167 -5.348 1.00 0.00 C HETATM 2041 CG ALY B 36 13.617 -1.938 -6.430 1.00 0.00 C HETATM 2042 CB ALY B 36 14.905 -1.271 -6.843 1.00 0.00 C HETATM 2043 CA ALY B 36 14.751 0.208 -7.231 1.00 0.00 C HETATM 2044 N ALY B 36 15.080 0.384 -8.639 1.00 0.00 N HETATM 2045 C ALY B 36 15.621 1.112 -6.362 1.00 0.00 C HETATM 2046 O ALY B 36 15.711 0.915 -5.151 1.00 0.00 O HETATM 0 HH33 ALY B 36 9.164 1.948 -4.244 1.00 0.00 H new HETATM 0 HH32 ALY B 36 7.978 0.995 -5.168 1.00 0.00 H new HETATM 0 HH31 ALY B 36 8.555 0.409 -3.590 1.00 0.00 H new HETATM 0 HZ ALY B 36 10.436 -0.824 -3.509 1.00 0.00 H new HETATM 0 HG3 ALY B 36 12.963 -2.032 -7.297 1.00 0.00 H new HETATM 0 HG2 ALY B 36 13.827 -2.948 -6.078 1.00 0.00 H new HETATM 0 HE3 ALY B 36 11.111 -2.059 -6.071 1.00 0.00 H new HETATM 0 HE2 ALY B 36 11.593 -2.603 -4.477 1.00 0.00 H new HETATM 0 HD3 ALY B 36 13.484 -1.215 -4.423 1.00 0.00 H new HETATM 0 HD2 ALY B 36 12.842 -0.115 -5.627 1.00 0.00 H new HETATM 0 HCA ALY B 36 13.713 0.497 -7.063 1.00 0.00 H new HETATM 0 HB3 ALY B 36 15.328 -1.815 -7.688 1.00 0.00 H new HETATM 0 HB2 ALY B 36 15.620 -1.348 -6.024 1.00 0.00 H new ATOM 2061 N LYS B 37 16.243 2.110 -7.015 1.00 0.00 N ATOM 2062 CA LYS B 37 17.113 3.095 -6.359 1.00 0.00 C ATOM 2063 C LYS B 37 17.429 2.709 -4.925 1.00 0.00 C ATOM 2064 O LYS B 37 16.772 3.169 -3.990 1.00 0.00 O ATOM 2065 CB LYS B 37 16.486 4.493 -6.390 1.00 0.00 C ATOM 2066 CG LYS B 37 16.750 5.251 -7.682 1.00 0.00 C ATOM 2067 CD LYS B 37 16.680 6.756 -7.475 1.00 0.00 C ATOM 2068 CE LYS B 37 17.069 7.511 -8.737 1.00 0.00 C ATOM 2069 NZ LYS B 37 17.079 8.984 -8.522 1.00 0.00 N ATOM 0 H LYS B 37 16.153 2.254 -8.021 1.00 0.00 H new ATOM 0 HA LYS B 37 18.047 3.110 -6.921 1.00 0.00 H new ATOM 0 HB2 LYS B 37 15.409 4.402 -6.245 1.00 0.00 H new ATOM 0 HB3 LYS B 37 16.872 5.074 -5.552 1.00 0.00 H new ATOM 0 HG2 LYS B 37 17.733 4.982 -8.067 1.00 0.00 H new ATOM 0 HG3 LYS B 37 16.020 4.953 -8.435 1.00 0.00 H new ATOM 0 HD2 LYS B 37 15.669 7.037 -7.179 1.00 0.00 H new ATOM 0 HD3 LYS B 37 17.343 7.043 -6.659 1.00 0.00 H new ATOM 0 HE2 LYS B 37 18.056 7.185 -9.065 1.00 0.00 H new ATOM 0 HE3 LYS B 37 16.370 7.266 -9.537 1.00 0.00 H new ATOM 0 HZ1 LYS B 37 17.078 9.469 -9.442 1.00 0.00 H new ATOM 0 HZ2 LYS B 37 16.234 9.262 -7.983 1.00 0.00 H new ATOM 0 HZ3 LYS B 37 17.932 9.251 -7.990 1.00 0.00 H new ATOM 2083 N PRO B 38 18.433 1.843 -4.740 1.00 0.00 N ATOM 2084 CA PRO B 38 18.849 1.380 -3.420 1.00 0.00 C ATOM 2085 C PRO B 38 18.906 2.500 -2.378 1.00 0.00 C ATOM 2086 O PRO B 38 18.976 3.680 -2.720 1.00 0.00 O ATOM 2087 CB PRO B 38 20.257 0.864 -3.691 1.00 0.00 C ATOM 2088 CG PRO B 38 20.181 0.316 -5.069 1.00 0.00 C ATOM 2089 CD PRO B 38 19.247 1.230 -5.815 1.00 0.00 C ATOM 0 HA PRO B 38 18.154 0.649 -3.007 1.00 0.00 H new ATOM 0 HB2 PRO B 38 20.995 1.663 -3.619 1.00 0.00 H new ATOM 0 HB3 PRO B 38 20.546 0.097 -2.972 1.00 0.00 H new ATOM 0 HG2 PRO B 38 21.165 0.294 -5.537 1.00 0.00 H new ATOM 0 HG3 PRO B 38 19.807 -0.708 -5.064 1.00 0.00 H new ATOM 0 HD2 PRO B 38 19.792 1.983 -6.385 1.00 0.00 H new ATOM 0 HD3 PRO B 38 18.628 0.680 -6.524 1.00 0.00 H new ATOM 2097 N HIS B 39 18.887 2.114 -1.107 1.00 0.00 N ATOM 2098 CA HIS B 39 18.957 3.069 -0.004 1.00 0.00 C ATOM 2099 C HIS B 39 19.748 2.464 1.153 1.00 0.00 C ATOM 2100 O HIS B 39 19.884 1.246 1.244 1.00 0.00 O ATOM 2101 CB HIS B 39 17.548 3.469 0.460 1.00 0.00 C ATOM 2102 CG HIS B 39 17.539 4.294 1.716 1.00 0.00 C ATOM 2103 ND1 HIS B 39 17.913 3.794 2.949 1.00 0.00 N ATOM 2104 CD2 HIS B 39 17.205 5.589 1.926 1.00 0.00 C ATOM 2105 CE1 HIS B 39 17.807 4.746 3.859 1.00 0.00 C ATOM 2106 NE2 HIS B 39 17.381 5.843 3.264 1.00 0.00 N ATOM 0 H HIS B 39 18.823 1.140 -0.812 1.00 0.00 H new ATOM 0 HA HIS B 39 19.466 3.968 -0.351 1.00 0.00 H new ATOM 0 HB2 HIS B 39 17.058 4.029 -0.336 1.00 0.00 H new ATOM 0 HB3 HIS B 39 16.959 2.567 0.624 1.00 0.00 H new ATOM 0 HD2 HIS B 39 16.864 6.292 1.180 1.00 0.00 H new ATOM 0 HE1 HIS B 39 18.031 4.643 4.911 1.00 0.00 H new ATOM 0 HE2 HIS B 39 17.210 6.737 3.724 1.00 0.00 H new ATOM 2115 N ARG B 40 20.275 3.319 2.027 1.00 0.00 N ATOM 2116 CA ARG B 40 21.051 2.861 3.176 1.00 0.00 C ATOM 2117 C ARG B 40 20.145 2.268 4.257 1.00 0.00 C ATOM 2118 O ARG B 40 20.064 2.794 5.367 1.00 0.00 O ATOM 2119 CB ARG B 40 21.859 4.019 3.764 1.00 0.00 C ATOM 2120 CG ARG B 40 22.783 4.694 2.763 1.00 0.00 C ATOM 2121 CD ARG B 40 23.533 5.853 3.399 1.00 0.00 C ATOM 2122 NE ARG B 40 24.344 6.584 2.429 1.00 0.00 N ATOM 2123 CZ ARG B 40 24.730 7.846 2.594 1.00 0.00 C ATOM 2124 NH1 ARG B 40 24.379 8.512 3.686 1.00 0.00 N ATOM 2125 NH2 ARG B 40 25.468 8.442 1.668 1.00 0.00 N ATOM 0 H ARG B 40 20.179 4.332 1.961 1.00 0.00 H new ATOM 0 HA ARG B 40 21.730 2.082 2.829 1.00 0.00 H new ATOM 0 HB2 ARG B 40 21.171 4.762 4.167 1.00 0.00 H new ATOM 0 HB3 ARG B 40 22.453 3.648 4.599 1.00 0.00 H new ATOM 0 HG2 ARG B 40 23.495 3.966 2.374 1.00 0.00 H new ATOM 0 HG3 ARG B 40 22.202 5.056 1.915 1.00 0.00 H new ATOM 0 HD2 ARG B 40 22.820 6.535 3.861 1.00 0.00 H new ATOM 0 HD3 ARG B 40 24.174 5.475 4.195 1.00 0.00 H new ATOM 0 HE ARG B 40 24.630 6.100 1.578 1.00 0.00 H new ATOM 0 HH11 ARG B 40 23.812 8.056 4.401 1.00 0.00 H new ATOM 0 HH12 ARG B 40 24.676 9.480 3.811 1.00 0.00 H new ATOM 0 HH21 ARG B 40 25.741 7.933 0.827 1.00 0.00 H new ATOM 0 HH22 ARG B 40 25.763 9.410 1.796 1.00 0.00 H new ATOM 2139 N TYR B 41 19.464 1.173 3.926 1.00 0.00 N ATOM 2140 CA TYR B 41 18.575 0.508 4.874 1.00 0.00 C ATOM 2141 C TYR B 41 18.891 -0.980 4.947 1.00 0.00 C ATOM 2142 O TYR B 41 18.119 -1.765 5.501 1.00 0.00 O ATOM 2143 CB TYR B 41 17.105 0.713 4.484 1.00 0.00 C ATOM 2144 CG TYR B 41 16.210 1.086 5.650 1.00 0.00 C ATOM 2145 CD1 TYR B 41 16.418 0.548 6.916 1.00 0.00 C ATOM 2146 CD2 TYR B 41 15.162 1.985 5.486 1.00 0.00 C ATOM 2147 CE1 TYR B 41 15.608 0.892 7.981 1.00 0.00 C ATOM 2148 CE2 TYR B 41 14.349 2.334 6.548 1.00 0.00 C ATOM 2149 CZ TYR B 41 14.576 1.785 7.792 1.00 0.00 C ATOM 2150 OH TYR B 41 13.768 2.130 8.850 1.00 0.00 O ATOM 0 H TYR B 41 19.511 0.728 3.009 1.00 0.00 H new ATOM 0 HA TYR B 41 18.737 0.953 5.856 1.00 0.00 H new ATOM 0 HB2 TYR B 41 17.045 1.495 3.727 1.00 0.00 H new ATOM 0 HB3 TYR B 41 16.729 -0.202 4.027 1.00 0.00 H new ATOM 0 HD1 TYR B 41 17.227 -0.151 7.069 1.00 0.00 H new ATOM 0 HD2 TYR B 41 14.980 2.418 4.513 1.00 0.00 H new ATOM 0 HE1 TYR B 41 15.783 0.463 8.957 1.00 0.00 H new ATOM 0 HE2 TYR B 41 13.539 3.034 6.404 1.00 0.00 H new ATOM 0 HH TYR B 41 13.090 2.770 8.549 1.00 0.00 H new ATOM 2160 N LYS B 42 20.032 -1.363 4.382 1.00 0.00 N ATOM 2161 CA LYS B 42 20.455 -2.757 4.382 1.00 0.00 C ATOM 2162 C LYS B 42 21.942 -2.873 4.709 1.00 0.00 C ATOM 2163 O LYS B 42 22.740 -2.018 4.325 1.00 0.00 O ATOM 2164 CB LYS B 42 20.160 -3.409 3.026 1.00 0.00 C ATOM 2165 CG LYS B 42 21.106 -2.986 1.910 1.00 0.00 C ATOM 2166 CD LYS B 42 20.848 -1.556 1.464 1.00 0.00 C ATOM 2167 CE LYS B 42 21.870 -1.100 0.436 1.00 0.00 C ATOM 2168 NZ LYS B 42 23.250 -1.074 0.998 1.00 0.00 N ATOM 0 H LYS B 42 20.680 -0.726 3.918 1.00 0.00 H new ATOM 0 HA LYS B 42 19.890 -3.281 5.153 1.00 0.00 H new ATOM 0 HB2 LYS B 42 20.210 -4.492 3.138 1.00 0.00 H new ATOM 0 HB3 LYS B 42 19.139 -3.165 2.733 1.00 0.00 H new ATOM 0 HG2 LYS B 42 22.137 -3.080 2.252 1.00 0.00 H new ATOM 0 HG3 LYS B 42 20.990 -3.659 1.060 1.00 0.00 H new ATOM 0 HD2 LYS B 42 19.846 -1.481 1.041 1.00 0.00 H new ATOM 0 HD3 LYS B 42 20.879 -0.893 2.329 1.00 0.00 H new ATOM 0 HE2 LYS B 42 21.841 -1.767 -0.425 1.00 0.00 H new ATOM 0 HE3 LYS B 42 21.605 -0.105 0.077 1.00 0.00 H new ATOM 0 HZ1 LYS B 42 23.871 -0.528 0.368 1.00 0.00 H new ATOM 0 HZ2 LYS B 42 23.234 -0.630 1.938 1.00 0.00 H new ATOM 0 HZ3 LYS B 42 23.610 -2.046 1.081 1.00 0.00 H new ATOM 2182 N CYS B 43 22.305 -3.935 5.423 1.00 0.00 N ATOM 2183 CA CYS B 43 23.695 -4.161 5.803 1.00 0.00 C ATOM 2184 C CYS B 43 24.242 -5.421 5.138 1.00 0.00 C ATOM 2185 O CYS B 43 24.099 -6.512 5.730 1.00 0.00 O ATOM 2186 CB CYS B 43 23.819 -4.275 7.323 1.00 0.00 C ATOM 2187 SG CYS B 43 25.512 -4.505 7.912 1.00 0.00 S ATOM 2188 OXT CYS B 43 24.806 -5.307 4.029 1.00 0.00 O ATOM 0 H CYS B 43 21.656 -4.651 5.749 1.00 0.00 H new ATOM 0 HA CYS B 43 24.282 -3.308 5.462 1.00 0.00 H new ATOM 0 HB2 CYS B 43 23.407 -3.375 7.779 1.00 0.00 H new ATOM 0 HB3 CYS B 43 23.210 -5.112 7.664 1.00 0.00 H new ATOM 0 HG CYS B 43 25.513 -4.588 9.209 1.00 0.00 H new TER 2194 CYS B 43