USER MOD reduce.3.24.130724 H: found=0, std=0, add=605, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 0 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: A 14 HIS HE2 : A 14 HIS NE2 : A 80 HEMFE :(H bumps) USER MOD Set 1.1: A 75 TYR OH : rot -161:sc= 1.68 USER MOD Set 1.2: A 78 LYS NZ :NH3+ -178:sc= 0.457 (180deg=-0.0314) USER MOD Set 2.1: A 9 SER OG : rot 179:sc= 0.657 USER MOD Set 2.2: A 63 LYS NZ :NH3+ 142:sc= 1.25 (180deg=-0.516) USER MOD Set 2.3: A 64 TYR OH : rot -148:sc= 1.7 USER MOD Set 3.1: A 59 ASN : amide:sc= 0.666 K(o=1.3,f=0.53) USER MOD Set 3.2: A 62 LYS NZ :NH3+ 148:sc= 0.652 (180deg=0.322) USER MOD Set 4.1: A 56 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 4.2: A 80 HEM CMC :methyl 150:sc= -0.477 (180deg=-0.477) USER MOD Set 5.1: A 41 MET CE :methyl -160:sc= -0.924 (180deg=-1.93) USER MOD Set 5.2: A 76 MET CE :methyl -133:sc= -0.389 (180deg=-4.22!) USER MOD Set 5.3: A 80 HEM CMA :methyl -30:sc= -3.21 (180deg=-7.73!) USER MOD Set 6.1: A 40 LYS NZ :NH3+ -156:sc= 1.21 (180deg=-0.00531) USER MOD Set 6.2: A 49 TYR OH : rot -179:sc= 1.94 USER MOD Set 7.1: A 38 TYR OH : rot -23:sc= 1.25 USER MOD Set 7.2: A 70 LYS NZ :NH3+ -163:sc= -0.757 (180deg=-1.23) USER MOD Set 8.1: A 27 LYS NZ :NH3+ 175:sc= 0.29 (180deg=0.276) USER MOD Set 8.2: A 32 GLN : amide:sc= 0.874 K(o=1.2,f=-2) USER MOD Single : A 1 ALA N :NH3+ -110:sc= 2.72 (180deg=-0.389) USER MOD Single : A 7 TYR OH : rot 39:sc= -1.11 USER MOD Single : A 8 LYS NZ :NH3+ 154:sc= 0.958 (180deg=0.625) USER MOD Single : A 19 SER OG : rot -63:sc= 0.966 USER MOD Single : A 20 LYS NZ :NH3+ -144:sc= 0.599 (180deg=-0.234) USER MOD Single : A 23 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 25 SER OG : rot 76:sc= 0.953 USER MOD Single : A 30 LYS NZ :NH3+ -179:sc= 1.06 (180deg=1.06) USER MOD Single : A 39 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0491) USER MOD Single : A 42 LYS NZ :NH3+ -173:sc= 0.981 (180deg=0.867) USER MOD Single : A 44 TYR OH : rot 42:sc= 1.21 USER MOD Single : A 48 SER OG : rot -22:sc= 0.287 USER MOD Single : A 54 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0511) USER MOD Single : A 57 MET CE :methyl 166:sc= -2.21 (180deg=-3.08) USER MOD Single : A 58 THR OG1 : rot 75:sc= 1.13 USER MOD Single : A 65 SER OG : rot 180:sc= -0.024 USER MOD Single : A 77 SER OG : rot -41:sc= 0.402 USER MOD Single : A 80 HEM CMB :methyl 150:sc= -3.88! (180deg=-3.88!) USER MOD Single : A 80 HEM CMD :methyl -30:sc= -0.292 (180deg=-2.34!) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -2.913 -13.512 -2.487 1.00 0.00 N ATOM 2 CA ALA A 1 -1.890 -14.166 -3.323 1.00 0.00 C ATOM 3 C ALA A 1 -0.585 -13.404 -3.118 1.00 0.00 C ATOM 4 O ALA A 1 -0.643 -12.383 -2.442 1.00 0.00 O ATOM 5 CB ALA A 1 -2.303 -14.171 -4.798 1.00 0.00 C ATOM 0 H1 ALA A 1 -3.166 -14.137 -1.696 1.00 0.00 H new ATOM 0 H2 ALA A 1 -2.536 -12.617 -2.114 1.00 0.00 H new ATOM 0 H3 ALA A 1 -3.759 -13.319 -3.061 1.00 0.00 H new ATOM 0 HA ALA A 1 -1.770 -15.210 -3.033 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -1.530 -14.660 -5.391 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -3.243 -14.712 -4.911 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -2.431 -13.145 -5.143 1.00 0.00 H new ATOM 6 N ASP A 2 0.536 -13.876 -3.668 1.00 0.00 N ATOM 7 CA ASP A 2 1.880 -13.303 -3.567 1.00 0.00 C ATOM 8 C ASP A 2 1.883 -11.773 -3.469 1.00 0.00 C ATOM 9 O ASP A 2 1.877 -11.084 -4.488 1.00 0.00 O ATOM 10 CB ASP A 2 2.699 -13.752 -4.787 1.00 0.00 C ATOM 11 CG ASP A 2 2.793 -15.270 -4.891 1.00 0.00 C ATOM 12 OD1 ASP A 2 1.716 -15.886 -5.063 1.00 0.00 O ATOM 13 OD2 ASP A 2 3.926 -15.784 -4.779 1.00 0.00 O ATOM 0 H ASP A 2 0.528 -14.725 -4.233 1.00 0.00 H new ATOM 0 HA ASP A 2 2.324 -13.668 -2.641 1.00 0.00 H new ATOM 0 HB2 ASP A 2 2.244 -13.355 -5.694 1.00 0.00 H new ATOM 0 HB3 ASP A 2 3.702 -13.331 -4.724 1.00 0.00 H new ATOM 14 N GLY A 3 1.945 -11.241 -2.243 1.00 0.00 N ATOM 15 CA GLY A 3 1.951 -9.809 -1.976 1.00 0.00 C ATOM 16 C GLY A 3 2.980 -9.083 -2.836 1.00 0.00 C ATOM 17 O GLY A 3 2.676 -8.071 -3.466 1.00 0.00 O ATOM 0 H GLY A 3 1.993 -11.809 -1.397 1.00 0.00 H new ATOM 0 HA2 GLY A 3 0.960 -9.398 -2.168 1.00 0.00 H new ATOM 0 HA3 GLY A 3 2.169 -9.635 -0.922 1.00 0.00 H new ATOM 18 N ALA A 4 4.190 -9.641 -2.898 1.00 0.00 N ATOM 19 CA ALA A 4 5.294 -9.108 -3.681 1.00 0.00 C ATOM 20 C ALA A 4 4.895 -8.842 -5.131 1.00 0.00 C ATOM 21 O ALA A 4 5.375 -7.885 -5.732 1.00 0.00 O ATOM 22 CB ALA A 4 6.447 -10.118 -3.673 1.00 0.00 C ATOM 0 H ALA A 4 4.430 -10.494 -2.393 1.00 0.00 H new ATOM 0 HA ALA A 4 5.592 -8.162 -3.230 1.00 0.00 H new ATOM 0 HB1 ALA A 4 7.279 -9.725 -4.258 1.00 0.00 H new ATOM 0 HB2 ALA A 4 6.774 -10.289 -2.647 1.00 0.00 H new ATOM 0 HB3 ALA A 4 6.110 -11.059 -4.108 1.00 0.00 H new ATOM 23 N ALA A 5 4.026 -9.682 -5.697 1.00 0.00 N ATOM 24 CA ALA A 5 3.616 -9.560 -7.080 1.00 0.00 C ATOM 25 C ALA A 5 2.484 -8.554 -7.228 1.00 0.00 C ATOM 26 O ALA A 5 2.267 -8.064 -8.334 1.00 0.00 O ATOM 27 CB ALA A 5 3.177 -10.931 -7.601 1.00 0.00 C ATOM 0 H ALA A 5 3.593 -10.462 -5.203 1.00 0.00 H new ATOM 0 HA ALA A 5 4.462 -9.199 -7.666 1.00 0.00 H new ATOM 0 HB1 ALA A 5 2.868 -10.842 -8.642 1.00 0.00 H new ATOM 0 HB2 ALA A 5 4.009 -11.631 -7.528 1.00 0.00 H new ATOM 0 HB3 ALA A 5 2.341 -11.297 -7.004 1.00 0.00 H new ATOM 28 N LEU A 6 1.765 -8.222 -6.150 1.00 0.00 N ATOM 29 CA LEU A 6 0.666 -7.304 -6.230 1.00 0.00 C ATOM 30 C LEU A 6 1.247 -5.915 -5.969 1.00 0.00 C ATOM 31 O LEU A 6 0.727 -4.930 -6.489 1.00 0.00 O ATOM 32 CB LEU A 6 -0.374 -7.807 -5.228 1.00 0.00 C ATOM 33 CG LEU A 6 -1.158 -9.015 -5.762 1.00 0.00 C ATOM 34 CD1 LEU A 6 -1.646 -9.864 -4.583 1.00 0.00 C ATOM 35 CD2 LEU A 6 -2.349 -8.572 -6.616 1.00 0.00 C ATOM 0 H LEU A 6 1.941 -8.588 -5.214 1.00 0.00 H new ATOM 0 HA LEU A 6 0.157 -7.239 -7.192 1.00 0.00 H new ATOM 0 HB2 LEU A 6 0.123 -8.081 -4.298 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -1.069 -7.001 -4.992 1.00 0.00 H new ATOM 0 HG LEU A 6 -0.495 -9.605 -6.395 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -2.203 -10.722 -4.959 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -0.789 -10.212 -4.006 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -2.293 -9.263 -3.945 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -2.883 -9.450 -6.979 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -3.022 -7.961 -6.014 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -1.991 -7.989 -7.464 1.00 0.00 H new ATOM 36 N TYR A 7 2.349 -5.827 -5.204 1.00 0.00 N ATOM 37 CA TYR A 7 2.981 -4.550 -4.924 1.00 0.00 C ATOM 38 C TYR A 7 3.749 -3.952 -6.113 1.00 0.00 C ATOM 39 O TYR A 7 4.086 -2.769 -6.089 1.00 0.00 O ATOM 40 CB TYR A 7 3.893 -4.707 -3.694 1.00 0.00 C ATOM 41 CG TYR A 7 3.938 -3.464 -2.829 1.00 0.00 C ATOM 42 CD1 TYR A 7 2.742 -2.792 -2.518 1.00 0.00 C ATOM 43 CD2 TYR A 7 5.157 -2.942 -2.362 1.00 0.00 C ATOM 44 CE1 TYR A 7 2.782 -1.474 -2.058 1.00 0.00 C ATOM 45 CE2 TYR A 7 5.183 -1.658 -1.788 1.00 0.00 C ATOM 46 CZ TYR A 7 4.018 -0.873 -1.784 1.00 0.00 C ATOM 47 OH TYR A 7 4.069 0.429 -1.399 1.00 0.00 O ATOM 0 H TYR A 7 2.811 -6.629 -4.775 1.00 0.00 H new ATOM 0 HA TYR A 7 2.185 -3.833 -4.721 1.00 0.00 H new ATOM 0 HB2 TYR A 7 3.544 -5.548 -3.095 1.00 0.00 H new ATOM 0 HB3 TYR A 7 4.903 -4.949 -4.026 1.00 0.00 H new ATOM 0 HD1 TYR A 7 1.793 -3.295 -2.635 1.00 0.00 H new ATOM 0 HD2 TYR A 7 6.065 -3.521 -2.443 1.00 0.00 H new ATOM 0 HE1 TYR A 7 1.866 -0.921 -1.914 1.00 0.00 H new ATOM 0 HE2 TYR A 7 6.095 -1.277 -1.352 1.00 0.00 H new ATOM 0 HH TYR A 7 3.322 0.621 -0.795 1.00 0.00 H new ATOM 48 N LYS A 8 4.023 -4.724 -7.168 1.00 0.00 N ATOM 49 CA LYS A 8 4.774 -4.239 -8.325 1.00 0.00 C ATOM 50 C LYS A 8 4.199 -2.937 -8.905 1.00 0.00 C ATOM 51 O LYS A 8 4.943 -1.998 -9.180 1.00 0.00 O ATOM 52 CB LYS A 8 4.814 -5.334 -9.401 1.00 0.00 C ATOM 53 CG LYS A 8 5.615 -6.573 -8.973 1.00 0.00 C ATOM 54 CD LYS A 8 7.118 -6.276 -8.860 1.00 0.00 C ATOM 55 CE LYS A 8 7.936 -7.550 -8.614 1.00 0.00 C ATOM 56 NZ LYS A 8 7.773 -8.045 -7.236 1.00 0.00 N ATOM 0 H LYS A 8 3.731 -5.699 -7.243 1.00 0.00 H new ATOM 0 HA LYS A 8 5.785 -4.007 -7.989 1.00 0.00 H new ATOM 0 HB2 LYS A 8 3.794 -5.634 -9.643 1.00 0.00 H new ATOM 0 HB3 LYS A 8 5.250 -4.924 -10.312 1.00 0.00 H new ATOM 0 HG2 LYS A 8 5.243 -6.931 -8.013 1.00 0.00 H new ATOM 0 HG3 LYS A 8 5.457 -7.374 -9.695 1.00 0.00 H new ATOM 0 HD2 LYS A 8 7.463 -5.794 -9.775 1.00 0.00 H new ATOM 0 HD3 LYS A 8 7.289 -5.572 -8.045 1.00 0.00 H new ATOM 0 HE2 LYS A 8 7.626 -8.323 -9.317 1.00 0.00 H new ATOM 0 HE3 LYS A 8 8.990 -7.348 -8.806 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 7.945 -9.070 -7.213 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 8.453 -7.566 -6.612 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 6.806 -7.849 -6.909 1.00 0.00 H new ATOM 57 N SER A 9 2.878 -2.856 -9.073 1.00 0.00 N ATOM 58 CA SER A 9 2.192 -1.684 -9.605 1.00 0.00 C ATOM 59 C SER A 9 2.335 -0.457 -8.697 1.00 0.00 C ATOM 60 O SER A 9 2.125 0.670 -9.136 1.00 0.00 O ATOM 61 CB SER A 9 0.710 -2.054 -9.750 1.00 0.00 C ATOM 62 OG SER A 9 0.350 -2.971 -8.728 1.00 0.00 O ATOM 0 H SER A 9 2.245 -3.620 -8.837 1.00 0.00 H new ATOM 0 HA SER A 9 2.638 -1.413 -10.562 1.00 0.00 H new ATOM 0 HB2 SER A 9 0.092 -1.158 -9.684 1.00 0.00 H new ATOM 0 HB3 SER A 9 0.528 -2.495 -10.730 1.00 0.00 H new ATOM 0 HG SER A 9 -0.602 -3.190 -8.806 1.00 0.00 H new ATOM 63 N CYS A 10 2.672 -0.681 -7.430 1.00 0.00 N ATOM 64 CA CYS A 10 2.801 0.310 -6.382 1.00 0.00 C ATOM 65 C CYS A 10 4.238 0.801 -6.325 1.00 0.00 C ATOM 66 O CYS A 10 4.498 2.000 -6.183 1.00 0.00 O ATOM 67 CB CYS A 10 2.379 -0.368 -5.073 1.00 0.00 C ATOM 68 SG CYS A 10 0.954 -1.503 -5.218 1.00 0.00 S ATOM 0 H CYS A 10 2.874 -1.622 -7.093 1.00 0.00 H new ATOM 0 HA CYS A 10 2.171 1.181 -6.564 1.00 0.00 H new ATOM 0 HB2 CYS A 10 3.229 -0.924 -4.679 1.00 0.00 H new ATOM 0 HB3 CYS A 10 2.137 0.404 -4.343 1.00 0.00 H new ATOM 69 N ILE A 11 5.168 -0.150 -6.475 1.00 0.00 N ATOM 70 CA ILE A 11 6.606 0.066 -6.466 1.00 0.00 C ATOM 71 C ILE A 11 6.986 1.263 -7.350 1.00 0.00 C ATOM 72 O ILE A 11 7.936 1.973 -7.035 1.00 0.00 O ATOM 73 CB ILE A 11 7.320 -1.255 -6.843 1.00 0.00 C ATOM 74 CG1 ILE A 11 8.291 -1.677 -5.728 1.00 0.00 C ATOM 75 CG2 ILE A 11 8.107 -1.175 -8.161 1.00 0.00 C ATOM 76 CD1 ILE A 11 7.579 -2.140 -4.450 1.00 0.00 C ATOM 0 H ILE A 11 4.920 -1.130 -6.611 1.00 0.00 H new ATOM 0 HA ILE A 11 6.946 0.335 -5.466 1.00 0.00 H new ATOM 0 HB ILE A 11 6.525 -1.990 -6.973 1.00 0.00 H new ATOM 0 HG12 ILE A 11 8.927 -2.483 -6.094 1.00 0.00 H new ATOM 0 HG13 ILE A 11 8.945 -0.839 -5.488 1.00 0.00 H new ATOM 0 HG21 ILE A 11 8.581 -2.136 -8.361 1.00 0.00 H new ATOM 0 HG22 ILE A 11 7.427 -0.929 -8.976 1.00 0.00 H new ATOM 0 HG23 ILE A 11 8.872 -0.403 -8.081 1.00 0.00 H new ATOM 0 HD11 ILE A 11 8.320 -2.424 -3.703 1.00 0.00 H new ATOM 0 HD12 ILE A 11 6.965 -1.328 -4.061 1.00 0.00 H new ATOM 0 HD13 ILE A 11 6.946 -2.998 -4.677 1.00 0.00 H new ATOM 77 N GLY A 12 6.244 1.504 -8.437 1.00 0.00 N ATOM 78 CA GLY A 12 6.474 2.633 -9.327 1.00 0.00 C ATOM 79 C GLY A 12 6.562 3.958 -8.559 1.00 0.00 C ATOM 80 O GLY A 12 7.452 4.762 -8.826 1.00 0.00 O ATOM 0 H GLY A 12 5.463 0.913 -8.720 1.00 0.00 H new ATOM 0 HA2 GLY A 12 7.397 2.474 -9.884 1.00 0.00 H new ATOM 0 HA3 GLY A 12 5.667 2.690 -10.058 1.00 0.00 H new ATOM 81 N CYS A 13 5.645 4.194 -7.611 1.00 0.00 N ATOM 82 CA CYS A 13 5.649 5.417 -6.807 1.00 0.00 C ATOM 83 C CYS A 13 6.460 5.207 -5.535 1.00 0.00 C ATOM 84 O CYS A 13 7.201 6.092 -5.116 1.00 0.00 O ATOM 85 CB CYS A 13 4.236 5.833 -6.374 1.00 0.00 C ATOM 86 SG CYS A 13 3.239 6.760 -7.560 1.00 0.00 S ATOM 0 H CYS A 13 4.889 3.549 -7.384 1.00 0.00 H new ATOM 0 HA CYS A 13 6.082 6.195 -7.436 1.00 0.00 H new ATOM 0 HB2 CYS A 13 3.687 4.930 -6.106 1.00 0.00 H new ATOM 0 HB3 CYS A 13 4.325 6.433 -5.468 1.00 0.00 H new ATOM 87 N HIS A 14 6.283 4.045 -4.903 1.00 0.00 N ATOM 88 CA HIS A 14 6.864 3.662 -3.652 1.00 0.00 C ATOM 89 C HIS A 14 8.374 3.389 -3.685 1.00 0.00 C ATOM 90 O HIS A 14 9.001 3.349 -2.629 1.00 0.00 O ATOM 91 CB HIS A 14 5.977 2.493 -3.248 1.00 0.00 C ATOM 92 CG HIS A 14 4.673 2.979 -2.667 1.00 0.00 C ATOM 93 ND1 HIS A 14 4.621 3.646 -1.455 1.00 0.00 N ATOM 94 CD2 HIS A 14 3.380 2.978 -3.135 1.00 0.00 C ATOM 95 CE1 HIS A 14 3.345 4.006 -1.251 1.00 0.00 C ATOM 96 NE2 HIS A 14 2.528 3.581 -2.216 1.00 0.00 N ATOM 0 H HIS A 14 5.689 3.312 -5.291 1.00 0.00 H new ATOM 0 HA HIS A 14 6.870 4.461 -2.910 1.00 0.00 H new ATOM 0 HB2 HIS A 14 5.780 1.864 -4.116 1.00 0.00 H new ATOM 0 HB3 HIS A 14 6.496 1.874 -2.517 1.00 0.00 H new ATOM 0 HD1 HIS A 14 5.408 3.830 -0.832 1.00 0.00 H new ATOM 0 HD2 HIS A 14 3.069 2.566 -4.084 1.00 0.00 H new ATOM 0 HE1 HIS A 14 3.015 4.579 -0.397 1.00 0.00 H new ATOM 97 N GLY A 15 8.971 3.214 -4.864 1.00 0.00 N ATOM 98 CA GLY A 15 10.407 3.052 -5.043 1.00 0.00 C ATOM 99 C GLY A 15 11.043 1.796 -4.443 1.00 0.00 C ATOM 100 O GLY A 15 11.237 1.706 -3.227 1.00 0.00 O ATOM 0 H GLY A 15 8.452 3.181 -5.742 1.00 0.00 H new ATOM 0 HA2 GLY A 15 10.619 3.062 -6.112 1.00 0.00 H new ATOM 0 HA3 GLY A 15 10.903 3.922 -4.612 1.00 0.00 H new ATOM 101 N ALA A 16 11.422 0.867 -5.332 1.00 0.00 N ATOM 102 CA ALA A 16 12.121 -0.396 -5.088 1.00 0.00 C ATOM 103 C ALA A 16 11.411 -1.328 -4.105 1.00 0.00 C ATOM 104 O ALA A 16 10.962 -2.402 -4.491 1.00 0.00 O ATOM 105 CB ALA A 16 13.554 -0.102 -4.624 1.00 0.00 C ATOM 0 H ALA A 16 11.229 0.994 -6.325 1.00 0.00 H new ATOM 0 HA ALA A 16 12.131 -0.937 -6.034 1.00 0.00 H new ATOM 0 HB1 ALA A 16 14.077 -1.041 -4.441 1.00 0.00 H new ATOM 0 HB2 ALA A 16 14.078 0.461 -5.396 1.00 0.00 H new ATOM 0 HB3 ALA A 16 13.526 0.483 -3.704 1.00 0.00 H new ATOM 106 N ASP A 17 11.339 -0.927 -2.839 1.00 0.00 N ATOM 107 CA ASP A 17 10.734 -1.617 -1.739 1.00 0.00 C ATOM 108 C ASP A 17 10.273 -0.552 -0.753 1.00 0.00 C ATOM 109 O ASP A 17 10.945 -0.288 0.239 1.00 0.00 O ATOM 110 CB ASP A 17 11.725 -2.614 -1.123 1.00 0.00 C ATOM 111 CG ASP A 17 11.763 -3.915 -1.912 1.00 0.00 C ATOM 112 OD1 ASP A 17 10.691 -4.556 -1.977 1.00 0.00 O ATOM 113 OD2 ASP A 17 12.857 -4.254 -2.413 1.00 0.00 O ATOM 0 H ASP A 17 11.740 -0.035 -2.548 1.00 0.00 H new ATOM 0 HA ASP A 17 9.877 -2.212 -2.054 1.00 0.00 H new ATOM 0 HB2 ASP A 17 12.721 -2.172 -1.098 1.00 0.00 H new ATOM 0 HB3 ASP A 17 11.442 -2.820 -0.091 1.00 0.00 H new ATOM 114 N GLY A 18 9.165 0.112 -1.098 1.00 0.00 N ATOM 115 CA GLY A 18 8.499 1.147 -0.315 1.00 0.00 C ATOM 116 C GLY A 18 9.410 2.168 0.353 1.00 0.00 C ATOM 117 O GLY A 18 9.041 2.709 1.397 1.00 0.00 O ATOM 0 H GLY A 18 8.686 -0.071 -1.980 1.00 0.00 H new ATOM 0 HA2 GLY A 18 7.806 1.679 -0.967 1.00 0.00 H new ATOM 0 HA3 GLY A 18 7.901 0.663 0.457 1.00 0.00 H new ATOM 118 N SER A 19 10.560 2.449 -0.261 1.00 0.00 N ATOM 119 CA SER A 19 11.559 3.360 0.276 1.00 0.00 C ATOM 120 C SER A 19 11.294 4.818 -0.102 1.00 0.00 C ATOM 121 O SER A 19 11.573 5.718 0.688 1.00 0.00 O ATOM 122 CB SER A 19 12.944 2.911 -0.206 1.00 0.00 C ATOM 123 OG SER A 19 13.071 2.986 -1.615 1.00 0.00 O ATOM 0 H SER A 19 10.823 2.042 -1.158 1.00 0.00 H new ATOM 0 HA SER A 19 11.509 3.320 1.364 1.00 0.00 H new ATOM 0 HB2 SER A 19 13.708 3.533 0.260 1.00 0.00 H new ATOM 0 HB3 SER A 19 13.126 1.887 0.119 1.00 0.00 H new ATOM 0 HG SER A 19 12.437 2.367 -2.034 1.00 0.00 H new ATOM 124 N LYS A 20 10.774 5.064 -1.306 1.00 0.00 N ATOM 125 CA LYS A 20 10.517 6.407 -1.784 1.00 0.00 C ATOM 126 C LYS A 20 9.225 6.940 -1.176 1.00 0.00 C ATOM 127 O LYS A 20 8.210 6.243 -1.101 1.00 0.00 O ATOM 128 CB LYS A 20 10.454 6.397 -3.317 1.00 0.00 C ATOM 129 CG LYS A 20 10.100 7.754 -3.937 1.00 0.00 C ATOM 130 CD LYS A 20 10.131 7.631 -5.466 1.00 0.00 C ATOM 131 CE LYS A 20 9.445 8.813 -6.159 1.00 0.00 C ATOM 132 NZ LYS A 20 8.009 8.876 -5.830 1.00 0.00 N ATOM 0 H LYS A 20 10.522 4.332 -1.970 1.00 0.00 H new ATOM 0 HA LYS A 20 11.325 7.071 -1.477 1.00 0.00 H new ATOM 0 HB2 LYS A 20 11.418 6.071 -3.708 1.00 0.00 H new ATOM 0 HB3 LYS A 20 9.716 5.661 -3.635 1.00 0.00 H new ATOM 0 HG2 LYS A 20 9.112 8.073 -3.605 1.00 0.00 H new ATOM 0 HG3 LYS A 20 10.808 8.514 -3.607 1.00 0.00 H new ATOM 0 HD2 LYS A 20 11.166 7.567 -5.802 1.00 0.00 H new ATOM 0 HD3 LYS A 20 9.641 6.704 -5.764 1.00 0.00 H new ATOM 0 HE2 LYS A 20 9.929 9.742 -5.859 1.00 0.00 H new ATOM 0 HE3 LYS A 20 9.568 8.724 -7.238 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 7.476 9.200 -6.662 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 7.675 7.931 -5.552 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 7.862 9.541 -5.044 1.00 0.00 H new ATOM 133 N ALA A 21 9.271 8.205 -0.760 1.00 0.00 N ATOM 134 CA ALA A 21 8.124 8.900 -0.211 1.00 0.00 C ATOM 135 C ALA A 21 7.182 9.181 -1.381 1.00 0.00 C ATOM 136 O ALA A 21 7.246 10.233 -2.011 1.00 0.00 O ATOM 137 CB ALA A 21 8.582 10.176 0.502 1.00 0.00 C ATOM 0 H ALA A 21 10.116 8.775 -0.798 1.00 0.00 H new ATOM 0 HA ALA A 21 7.601 8.307 0.539 1.00 0.00 H new ATOM 0 HB1 ALA A 21 7.716 10.694 0.913 1.00 0.00 H new ATOM 0 HB2 ALA A 21 9.266 9.916 1.310 1.00 0.00 H new ATOM 0 HB3 ALA A 21 9.091 10.827 -0.209 1.00 0.00 H new ATOM 138 N ALA A 22 6.346 8.194 -1.696 1.00 0.00 N ATOM 139 CA ALA A 22 5.420 8.205 -2.812 1.00 0.00 C ATOM 140 C ALA A 22 4.675 9.525 -3.030 1.00 0.00 C ATOM 141 O ALA A 22 4.144 10.106 -2.087 1.00 0.00 O ATOM 142 CB ALA A 22 4.442 7.039 -2.662 1.00 0.00 C ATOM 0 H ALA A 22 6.298 7.331 -1.154 1.00 0.00 H new ATOM 0 HA ALA A 22 6.025 8.091 -3.712 1.00 0.00 H new ATOM 0 HB1 ALA A 22 3.742 7.041 -3.498 1.00 0.00 H new ATOM 0 HB2 ALA A 22 4.995 6.099 -2.653 1.00 0.00 H new ATOM 0 HB3 ALA A 22 3.891 7.144 -1.727 1.00 0.00 H new ATOM 143 N MET A 23 4.638 9.936 -4.307 1.00 0.00 N ATOM 144 CA MET A 23 4.012 11.105 -4.921 1.00 0.00 C ATOM 145 C MET A 23 3.790 12.298 -3.984 1.00 0.00 C ATOM 146 O MET A 23 4.556 13.256 -4.025 1.00 0.00 O ATOM 147 CB MET A 23 2.722 10.622 -5.601 1.00 0.00 C ATOM 148 CG MET A 23 1.876 11.722 -6.249 1.00 0.00 C ATOM 149 SD MET A 23 2.752 12.832 -7.381 1.00 0.00 S ATOM 150 CE MET A 23 1.371 13.841 -7.962 1.00 0.00 C ATOM 0 H MET A 23 5.109 9.380 -5.020 1.00 0.00 H new ATOM 0 HA MET A 23 4.703 11.523 -5.653 1.00 0.00 H new ATOM 0 HB2 MET A 23 2.985 9.890 -6.365 1.00 0.00 H new ATOM 0 HB3 MET A 23 2.112 10.105 -4.861 1.00 0.00 H new ATOM 0 HG2 MET A 23 1.058 11.251 -6.794 1.00 0.00 H new ATOM 0 HG3 MET A 23 1.427 12.322 -5.457 1.00 0.00 H new ATOM 0 HE1 MET A 23 1.736 14.582 -8.673 1.00 0.00 H new ATOM 0 HE2 MET A 23 0.634 13.203 -8.449 1.00 0.00 H new ATOM 0 HE3 MET A 23 0.909 14.347 -7.115 1.00 0.00 H new ATOM 151 N GLY A 24 2.723 12.271 -3.181 1.00 0.00 N ATOM 152 CA GLY A 24 2.395 13.349 -2.259 1.00 0.00 C ATOM 153 C GLY A 24 3.561 13.690 -1.333 1.00 0.00 C ATOM 154 O GLY A 24 3.760 14.857 -1.004 1.00 0.00 O ATOM 0 H GLY A 24 2.062 11.494 -3.156 1.00 0.00 H new ATOM 0 HA2 GLY A 24 2.112 14.236 -2.826 1.00 0.00 H new ATOM 0 HA3 GLY A 24 1.530 13.063 -1.661 1.00 0.00 H new ATOM 155 N SER A 25 4.314 12.652 -0.958 1.00 0.00 N ATOM 156 CA SER A 25 5.479 12.566 -0.085 1.00 0.00 C ATOM 157 C SER A 25 5.108 11.580 1.020 1.00 0.00 C ATOM 158 O SER A 25 5.155 11.931 2.198 1.00 0.00 O ATOM 159 CB SER A 25 5.921 13.912 0.514 1.00 0.00 C ATOM 160 OG SER A 25 6.366 14.793 -0.498 1.00 0.00 O ATOM 0 H SER A 25 4.083 11.724 -1.313 1.00 0.00 H new ATOM 0 HA SER A 25 6.338 12.238 -0.671 1.00 0.00 H new ATOM 0 HB2 SER A 25 5.090 14.364 1.056 1.00 0.00 H new ATOM 0 HB3 SER A 25 6.721 13.748 1.236 1.00 0.00 H new ATOM 0 HG SER A 25 5.593 15.159 -0.976 1.00 0.00 H new ATOM 161 N ALA A 26 4.738 10.342 0.660 1.00 0.00 N ATOM 162 CA ALA A 26 4.333 9.377 1.655 1.00 0.00 C ATOM 163 C ALA A 26 5.379 9.119 2.724 1.00 0.00 C ATOM 164 O ALA A 26 6.564 9.044 2.420 1.00 0.00 O ATOM 165 CB ALA A 26 4.083 8.039 0.958 1.00 0.00 C ATOM 0 H ALA A 26 4.715 10.003 -0.302 1.00 0.00 H new ATOM 0 HA ALA A 26 3.448 9.791 2.139 1.00 0.00 H new ATOM 0 HB1 ALA A 26 3.776 7.297 1.695 1.00 0.00 H new ATOM 0 HB2 ALA A 26 3.296 8.158 0.213 1.00 0.00 H new ATOM 0 HB3 ALA A 26 4.999 7.707 0.469 1.00 0.00 H new ATOM 166 N LYS A 27 4.951 8.966 3.977 1.00 0.00 N ATOM 167 CA LYS A 27 5.859 8.523 5.017 1.00 0.00 C ATOM 168 C LYS A 27 6.213 7.109 4.518 1.00 0.00 C ATOM 169 O LYS A 27 5.287 6.301 4.406 1.00 0.00 O ATOM 170 CB LYS A 27 5.166 8.552 6.393 1.00 0.00 C ATOM 171 CG LYS A 27 3.706 8.060 6.430 1.00 0.00 C ATOM 172 CD LYS A 27 3.224 7.924 7.881 1.00 0.00 C ATOM 173 CE LYS A 27 1.740 7.539 7.943 1.00 0.00 C ATOM 174 NZ LYS A 27 1.481 6.216 7.349 1.00 0.00 N ATOM 0 H LYS A 27 3.995 9.141 4.287 1.00 0.00 H new ATOM 0 HA LYS A 27 6.742 9.143 5.172 1.00 0.00 H new ATOM 0 HB2 LYS A 27 5.750 7.944 7.084 1.00 0.00 H new ATOM 0 HB3 LYS A 27 5.192 9.575 6.768 1.00 0.00 H new ATOM 0 HG2 LYS A 27 3.066 8.759 5.892 1.00 0.00 H new ATOM 0 HG3 LYS A 27 3.626 7.099 5.922 1.00 0.00 H new ATOM 0 HD2 LYS A 27 3.819 7.169 8.395 1.00 0.00 H new ATOM 0 HD3 LYS A 27 3.380 8.865 8.408 1.00 0.00 H new ATOM 0 HE2 LYS A 27 1.410 7.539 8.982 1.00 0.00 H new ATOM 0 HE3 LYS A 27 1.149 8.291 7.420 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 0.482 5.962 7.489 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 1.691 6.245 6.331 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 2.086 5.505 7.807 1.00 0.00 H new ATOM 175 N PRO A 28 7.473 6.830 4.121 1.00 0.00 N ATOM 176 CA PRO A 28 7.893 5.561 3.535 1.00 0.00 C ATOM 177 C PRO A 28 7.091 4.373 4.048 1.00 0.00 C ATOM 178 O PRO A 28 7.034 4.163 5.260 1.00 0.00 O ATOM 179 CB PRO A 28 9.382 5.438 3.852 1.00 0.00 C ATOM 180 CG PRO A 28 9.833 6.895 3.761 1.00 0.00 C ATOM 181 CD PRO A 28 8.647 7.663 4.352 1.00 0.00 C ATOM 0 HA PRO A 28 7.711 5.551 2.460 1.00 0.00 H new ATOM 0 HB2 PRO A 28 9.557 5.015 4.841 1.00 0.00 H new ATOM 0 HB3 PRO A 28 9.903 4.802 3.136 1.00 0.00 H new ATOM 0 HG2 PRO A 28 10.748 7.070 4.326 1.00 0.00 H new ATOM 0 HG3 PRO A 28 10.033 7.192 2.731 1.00 0.00 H new ATOM 0 HD2 PRO A 28 8.792 7.846 5.417 1.00 0.00 H new ATOM 0 HD3 PRO A 28 8.535 8.636 3.874 1.00 0.00 H new ATOM 182 N VAL A 29 6.433 3.618 3.152 1.00 0.00 N ATOM 183 CA VAL A 29 5.669 2.475 3.632 1.00 0.00 C ATOM 184 C VAL A 29 6.682 1.521 4.284 1.00 0.00 C ATOM 185 O VAL A 29 6.333 0.791 5.206 1.00 0.00 O ATOM 186 CB VAL A 29 4.740 1.849 2.578 1.00 0.00 C ATOM 187 CG1 VAL A 29 3.829 2.893 1.928 1.00 0.00 C ATOM 188 CG2 VAL A 29 5.416 1.055 1.477 1.00 0.00 C ATOM 0 H VAL A 29 6.417 3.773 2.144 1.00 0.00 H new ATOM 0 HA VAL A 29 4.936 2.782 4.378 1.00 0.00 H new ATOM 0 HB VAL A 29 4.165 1.134 3.167 1.00 0.00 H new ATOM 0 HG11 VAL A 29 3.189 2.409 1.190 1.00 0.00 H new ATOM 0 HG12 VAL A 29 3.210 3.362 2.693 1.00 0.00 H new ATOM 0 HG13 VAL A 29 4.438 3.653 1.438 1.00 0.00 H new ATOM 0 HG21 VAL A 29 4.661 0.663 0.795 1.00 0.00 H new ATOM 0 HG22 VAL A 29 6.099 1.703 0.928 1.00 0.00 H new ATOM 0 HG23 VAL A 29 5.974 0.227 1.915 1.00 0.00 H new ATOM 189 N LYS A 30 7.945 1.534 3.826 1.00 0.00 N ATOM 190 CA LYS A 30 9.021 0.802 4.456 1.00 0.00 C ATOM 191 C LYS A 30 9.163 1.236 5.903 1.00 0.00 C ATOM 192 O LYS A 30 9.622 2.337 6.202 1.00 0.00 O ATOM 193 CB LYS A 30 10.325 1.037 3.690 1.00 0.00 C ATOM 194 CG LYS A 30 11.634 0.692 4.424 1.00 0.00 C ATOM 195 CD LYS A 30 12.784 0.671 3.408 1.00 0.00 C ATOM 196 CE LYS A 30 14.092 0.188 4.046 1.00 0.00 C ATOM 197 NZ LYS A 30 14.087 -1.268 4.279 1.00 0.00 N ATOM 0 H LYS A 30 8.235 2.061 3.002 1.00 0.00 H new ATOM 0 HA LYS A 30 8.794 -0.264 4.436 1.00 0.00 H new ATOM 0 HB2 LYS A 30 10.288 0.454 2.770 1.00 0.00 H new ATOM 0 HB3 LYS A 30 10.364 2.087 3.401 1.00 0.00 H new ATOM 0 HG2 LYS A 30 11.834 1.427 5.204 1.00 0.00 H new ATOM 0 HG3 LYS A 30 11.547 -0.278 4.914 1.00 0.00 H new ATOM 0 HD2 LYS A 30 12.522 0.019 2.575 1.00 0.00 H new ATOM 0 HD3 LYS A 30 12.926 1.671 2.998 1.00 0.00 H new ATOM 0 HE2 LYS A 30 14.929 0.449 3.399 1.00 0.00 H new ATOM 0 HE3 LYS A 30 14.247 0.706 4.992 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 14.982 -1.551 4.727 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 13.293 -1.517 4.903 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 13.982 -1.764 3.371 1.00 0.00 H new ATOM 198 N GLY A 31 8.766 0.327 6.782 1.00 0.00 N ATOM 199 CA GLY A 31 8.810 0.513 8.219 1.00 0.00 C ATOM 200 C GLY A 31 7.405 0.434 8.791 1.00 0.00 C ATOM 201 O GLY A 31 7.245 0.131 9.972 1.00 0.00 O ATOM 0 H GLY A 31 8.396 -0.582 6.505 1.00 0.00 H new ATOM 0 HA2 GLY A 31 9.441 -0.250 8.675 1.00 0.00 H new ATOM 0 HA3 GLY A 31 9.255 1.479 8.456 1.00 0.00 H new ATOM 202 N GLN A 32 6.380 0.726 7.979 1.00 0.00 N ATOM 203 CA GLN A 32 5.021 0.626 8.440 1.00 0.00 C ATOM 204 C GLN A 32 4.749 -0.873 8.682 1.00 0.00 C ATOM 205 O GLN A 32 5.286 -1.724 7.975 1.00 0.00 O ATOM 206 CB GLN A 32 4.049 1.305 7.458 1.00 0.00 C ATOM 207 CG GLN A 32 4.254 2.820 7.170 1.00 0.00 C ATOM 208 CD GLN A 32 3.152 3.407 6.257 1.00 0.00 C ATOM 209 OE1 GLN A 32 2.034 2.901 6.286 1.00 0.00 O ATOM 210 NE2 GLN A 32 3.398 4.449 5.441 1.00 0.00 N ATOM 0 H GLN A 32 6.482 1.029 7.010 1.00 0.00 H new ATOM 0 HA GLN A 32 4.861 1.164 9.375 1.00 0.00 H new ATOM 0 HB2 GLN A 32 4.105 0.772 6.509 1.00 0.00 H new ATOM 0 HB3 GLN A 32 3.037 1.170 7.840 1.00 0.00 H new ATOM 0 HG2 GLN A 32 4.268 3.366 8.113 1.00 0.00 H new ATOM 0 HG3 GLN A 32 5.227 2.968 6.701 1.00 0.00 H new ATOM 0 HE21 GLN A 32 4.327 4.870 5.417 1.00 0.00 H new ATOM 0 HE22 GLN A 32 2.655 4.818 4.847 1.00 0.00 H new ATOM 211 N GLY A 33 3.955 -1.213 9.702 1.00 0.00 N ATOM 212 CA GLY A 33 3.697 -2.611 10.072 1.00 0.00 C ATOM 213 C GLY A 33 2.554 -3.246 9.282 1.00 0.00 C ATOM 214 O GLY A 33 1.637 -2.541 8.891 1.00 0.00 O ATOM 0 H GLY A 33 3.475 -0.533 10.292 1.00 0.00 H new ATOM 0 HA2 GLY A 33 4.605 -3.194 9.916 1.00 0.00 H new ATOM 0 HA3 GLY A 33 3.465 -2.661 11.136 1.00 0.00 H new ATOM 215 N ALA A 34 2.561 -4.568 9.063 1.00 0.00 N ATOM 216 CA ALA A 34 1.535 -5.295 8.320 1.00 0.00 C ATOM 217 C ALA A 34 0.138 -4.881 8.752 1.00 0.00 C ATOM 218 O ALA A 34 -0.686 -4.528 7.918 1.00 0.00 O ATOM 219 CB ALA A 34 1.697 -6.807 8.531 1.00 0.00 C ATOM 0 H ALA A 34 3.304 -5.174 9.410 1.00 0.00 H new ATOM 0 HA ALA A 34 1.661 -5.052 7.265 1.00 0.00 H new ATOM 0 HB1 ALA A 34 0.926 -7.337 7.972 1.00 0.00 H new ATOM 0 HB2 ALA A 34 2.680 -7.120 8.180 1.00 0.00 H new ATOM 0 HB3 ALA A 34 1.600 -7.039 9.592 1.00 0.00 H new ATOM 220 N GLU A 35 -0.123 -4.920 10.059 1.00 0.00 N ATOM 221 CA GLU A 35 -1.425 -4.543 10.597 1.00 0.00 C ATOM 222 C GLU A 35 -1.775 -3.124 10.140 1.00 0.00 C ATOM 223 O GLU A 35 -2.876 -2.871 9.660 1.00 0.00 O ATOM 224 CB GLU A 35 -1.398 -4.659 12.130 1.00 0.00 C ATOM 225 CG GLU A 35 -2.707 -4.202 12.797 1.00 0.00 C ATOM 226 CD GLU A 35 -3.943 -4.928 12.268 1.00 0.00 C ATOM 227 OE1 GLU A 35 -3.852 -6.164 12.108 1.00 0.00 O ATOM 228 OE2 GLU A 35 -4.956 -4.232 12.041 1.00 0.00 O ATOM 0 H GLU A 35 0.554 -5.210 10.764 1.00 0.00 H new ATOM 0 HA GLU A 35 -2.198 -5.215 10.223 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -1.200 -5.695 12.406 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -0.573 -4.062 12.518 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -2.633 -4.362 13.873 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -2.830 -3.130 12.642 1.00 0.00 H new ATOM 229 N GLU A 36 -0.814 -2.212 10.275 1.00 0.00 N ATOM 230 CA GLU A 36 -0.943 -0.818 9.895 1.00 0.00 C ATOM 231 C GLU A 36 -1.308 -0.734 8.411 1.00 0.00 C ATOM 232 O GLU A 36 -2.379 -0.255 8.046 1.00 0.00 O ATOM 233 CB GLU A 36 0.400 -0.127 10.208 1.00 0.00 C ATOM 234 CG GLU A 36 0.334 1.397 10.302 1.00 0.00 C ATOM 235 CD GLU A 36 1.724 2.012 10.477 1.00 0.00 C ATOM 236 OE1 GLU A 36 2.683 1.230 10.673 1.00 0.00 O ATOM 237 OE2 GLU A 36 1.802 3.256 10.396 1.00 0.00 O ATOM 0 H GLU A 36 0.102 -2.436 10.664 1.00 0.00 H new ATOM 0 HA GLU A 36 -1.735 -0.315 10.449 1.00 0.00 H new ATOM 0 HB2 GLU A 36 0.782 -0.518 11.151 1.00 0.00 H new ATOM 0 HB3 GLU A 36 1.120 -0.398 9.436 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -0.131 1.798 9.401 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -0.299 1.683 11.142 1.00 0.00 H new ATOM 238 N LEU A 37 -0.417 -1.246 7.562 1.00 0.00 N ATOM 239 CA LEU A 37 -0.555 -1.253 6.126 1.00 0.00 C ATOM 240 C LEU A 37 -1.884 -1.875 5.691 1.00 0.00 C ATOM 241 O LEU A 37 -2.542 -1.358 4.796 1.00 0.00 O ATOM 242 CB LEU A 37 0.625 -1.999 5.476 1.00 0.00 C ATOM 243 CG LEU A 37 2.027 -1.435 5.794 1.00 0.00 C ATOM 244 CD1 LEU A 37 3.079 -2.547 5.839 1.00 0.00 C ATOM 245 CD2 LEU A 37 2.456 -0.485 4.683 1.00 0.00 C ATOM 0 H LEU A 37 0.449 -1.681 7.879 1.00 0.00 H new ATOM 0 HA LEU A 37 -0.547 -0.217 5.788 1.00 0.00 H new ATOM 0 HB2 LEU A 37 0.592 -3.041 5.793 1.00 0.00 H new ATOM 0 HB3 LEU A 37 0.486 -1.990 4.395 1.00 0.00 H new ATOM 0 HG LEU A 37 1.962 -0.936 6.761 1.00 0.00 H new ATOM 0 HD11 LEU A 37 4.054 -2.116 6.065 1.00 0.00 H new ATOM 0 HD12 LEU A 37 2.813 -3.268 6.612 1.00 0.00 H new ATOM 0 HD13 LEU A 37 3.119 -3.049 4.872 1.00 0.00 H new ATOM 0 HD21 LEU A 37 3.446 -0.087 4.907 1.00 0.00 H new ATOM 0 HD22 LEU A 37 2.487 -1.023 3.736 1.00 0.00 H new ATOM 0 HD23 LEU A 37 1.742 0.336 4.610 1.00 0.00 H new ATOM 246 N TYR A 38 -2.293 -2.976 6.319 1.00 0.00 N ATOM 247 CA TYR A 38 -3.506 -3.699 5.992 1.00 0.00 C ATOM 248 C TYR A 38 -4.728 -2.902 6.398 1.00 0.00 C ATOM 249 O TYR A 38 -5.693 -2.819 5.644 1.00 0.00 O ATOM 250 CB TYR A 38 -3.457 -5.022 6.751 1.00 0.00 C ATOM 251 CG TYR A 38 -4.576 -6.030 6.562 1.00 0.00 C ATOM 252 CD1 TYR A 38 -5.374 -6.076 5.399 1.00 0.00 C ATOM 253 CD2 TYR A 38 -4.752 -7.002 7.563 1.00 0.00 C ATOM 254 CE1 TYR A 38 -6.372 -7.060 5.270 1.00 0.00 C ATOM 255 CE2 TYR A 38 -5.734 -7.993 7.424 1.00 0.00 C ATOM 256 CZ TYR A 38 -6.553 -8.015 6.288 1.00 0.00 C ATOM 257 OH TYR A 38 -7.491 -8.995 6.181 1.00 0.00 O ATOM 0 H TYR A 38 -1.771 -3.395 7.089 1.00 0.00 H new ATOM 0 HA TYR A 38 -3.573 -3.870 4.918 1.00 0.00 H new ATOM 0 HB2 TYR A 38 -2.523 -5.517 6.486 1.00 0.00 H new ATOM 0 HB3 TYR A 38 -3.404 -4.788 7.814 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -5.219 -5.357 4.608 1.00 0.00 H new ATOM 0 HD2 TYR A 38 -4.127 -6.985 8.444 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -6.998 -7.082 4.391 1.00 0.00 H new ATOM 0 HE2 TYR A 38 -5.859 -8.740 8.194 1.00 0.00 H new ATOM 0 HH TYR A 38 -8.189 -8.713 5.554 1.00 0.00 H new ATOM 258 N LYS A 39 -4.684 -2.314 7.592 1.00 0.00 N ATOM 259 CA LYS A 39 -5.801 -1.536 8.094 1.00 0.00 C ATOM 260 C LYS A 39 -5.989 -0.317 7.196 1.00 0.00 C ATOM 261 O LYS A 39 -7.110 0.040 6.834 1.00 0.00 O ATOM 262 CB LYS A 39 -5.529 -1.148 9.554 1.00 0.00 C ATOM 263 CG LYS A 39 -6.725 -0.439 10.199 1.00 0.00 C ATOM 264 CD LYS A 39 -6.428 -0.184 11.683 1.00 0.00 C ATOM 265 CE LYS A 39 -7.626 0.442 12.407 1.00 0.00 C ATOM 266 NZ LYS A 39 -7.966 1.770 11.866 1.00 0.00 N ATOM 0 H LYS A 39 -3.886 -2.365 8.225 1.00 0.00 H new ATOM 0 HA LYS A 39 -6.725 -2.114 8.075 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -5.288 -2.043 10.127 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -4.656 -0.497 9.598 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -6.921 0.504 9.689 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -7.622 -1.049 10.096 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -6.162 -1.124 12.167 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -5.565 0.476 11.772 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -8.489 -0.218 12.317 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -7.401 0.530 13.470 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -8.725 2.194 12.437 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -7.126 2.383 11.897 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -8.287 1.672 10.882 1.00 0.00 H new ATOM 267 N LYS A 40 -4.878 0.305 6.807 1.00 0.00 N ATOM 268 CA LYS A 40 -4.889 1.481 5.978 1.00 0.00 C ATOM 269 C LYS A 40 -5.337 1.127 4.559 1.00 0.00 C ATOM 270 O LYS A 40 -6.185 1.815 3.992 1.00 0.00 O ATOM 271 CB LYS A 40 -3.489 2.078 6.065 1.00 0.00 C ATOM 272 CG LYS A 40 -3.309 2.759 7.433 1.00 0.00 C ATOM 273 CD LYS A 40 -1.916 3.381 7.571 1.00 0.00 C ATOM 274 CE LYS A 40 -1.690 3.978 8.966 1.00 0.00 C ATOM 275 NZ LYS A 40 -2.569 5.130 9.226 1.00 0.00 N ATOM 0 H LYS A 40 -3.942 -0.006 7.068 1.00 0.00 H new ATOM 0 HA LYS A 40 -5.609 2.228 6.313 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -2.740 1.297 5.933 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -3.340 2.802 5.264 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -4.068 3.531 7.559 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -3.463 2.029 8.227 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -1.159 2.622 7.374 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -1.790 4.159 6.819 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -1.866 3.211 9.720 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -0.649 4.288 9.063 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -2.139 5.738 9.952 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -2.695 5.675 8.349 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -3.494 4.792 9.560 1.00 0.00 H new ATOM 276 N MET A 41 -4.806 0.046 3.979 1.00 0.00 N ATOM 277 CA MET A 41 -5.216 -0.367 2.651 1.00 0.00 C ATOM 278 C MET A 41 -6.681 -0.753 2.669 1.00 0.00 C ATOM 279 O MET A 41 -7.379 -0.397 1.734 1.00 0.00 O ATOM 280 CB MET A 41 -4.387 -1.531 2.138 1.00 0.00 C ATOM 281 CG MET A 41 -3.069 -1.028 1.558 1.00 0.00 C ATOM 282 SD MET A 41 -2.176 -2.294 0.644 1.00 0.00 S ATOM 283 CE MET A 41 -1.874 -3.442 1.992 1.00 0.00 C ATOM 0 H MET A 41 -4.098 -0.548 4.411 1.00 0.00 H new ATOM 0 HA MET A 41 -5.058 0.475 1.977 1.00 0.00 H new ATOM 0 HB2 MET A 41 -4.191 -2.232 2.949 1.00 0.00 H new ATOM 0 HB3 MET A 41 -4.944 -2.074 1.375 1.00 0.00 H new ATOM 0 HG2 MET A 41 -3.267 -0.183 0.899 1.00 0.00 H new ATOM 0 HG3 MET A 41 -2.439 -0.659 2.368 1.00 0.00 H new ATOM 0 HE1 MET A 41 -1.049 -4.104 1.728 1.00 0.00 H new ATOM 0 HE2 MET A 41 -1.618 -2.885 2.894 1.00 0.00 H new ATOM 0 HE3 MET A 41 -2.771 -4.034 2.174 1.00 0.00 H new ATOM 284 N LYS A 42 -7.155 -1.482 3.684 1.00 0.00 N ATOM 285 CA LYS A 42 -8.570 -1.813 3.787 1.00 0.00 C ATOM 286 C LYS A 42 -9.327 -0.484 3.788 1.00 0.00 C ATOM 287 O LYS A 42 -10.267 -0.293 3.020 1.00 0.00 O ATOM 288 CB LYS A 42 -8.822 -2.642 5.053 1.00 0.00 C ATOM 289 CG LYS A 42 -10.310 -2.973 5.229 1.00 0.00 C ATOM 290 CD LYS A 42 -10.563 -3.886 6.439 1.00 0.00 C ATOM 291 CE LYS A 42 -9.914 -5.272 6.322 1.00 0.00 C ATOM 292 NZ LYS A 42 -10.298 -5.952 5.073 1.00 0.00 N ATOM 0 H LYS A 42 -6.578 -1.850 4.440 1.00 0.00 H new ATOM 0 HA LYS A 42 -8.914 -2.426 2.954 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -8.247 -3.567 5.003 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -8.466 -2.092 5.924 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -10.874 -2.048 5.350 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -10.682 -3.458 4.326 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -10.187 -3.395 7.337 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -11.638 -4.009 6.570 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -8.830 -5.170 6.362 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -10.208 -5.884 7.174 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -9.938 -6.928 5.084 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -11.335 -5.966 4.990 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -9.893 -5.443 4.262 1.00 0.00 H new ATOM 293 N GLY A 43 -8.852 0.450 4.614 1.00 0.00 N ATOM 294 CA GLY A 43 -9.389 1.788 4.717 1.00 0.00 C ATOM 295 C GLY A 43 -9.501 2.453 3.343 1.00 0.00 C ATOM 296 O GLY A 43 -10.486 3.134 3.083 1.00 0.00 O ATOM 0 H GLY A 43 -8.065 0.283 5.240 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -10.372 1.752 5.186 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -8.749 2.390 5.363 1.00 0.00 H new ATOM 297 N TYR A 44 -8.509 2.307 2.458 1.00 0.00 N ATOM 298 CA TYR A 44 -8.604 2.890 1.123 1.00 0.00 C ATOM 299 C TYR A 44 -9.508 2.034 0.233 1.00 0.00 C ATOM 300 O TYR A 44 -10.282 2.572 -0.547 1.00 0.00 O ATOM 301 CB TYR A 44 -7.215 3.024 0.494 1.00 0.00 C ATOM 302 CG TYR A 44 -6.297 4.028 1.159 1.00 0.00 C ATOM 303 CD1 TYR A 44 -6.716 5.357 1.368 1.00 0.00 C ATOM 304 CD2 TYR A 44 -4.965 3.672 1.428 1.00 0.00 C ATOM 305 CE1 TYR A 44 -5.822 6.305 1.891 1.00 0.00 C ATOM 306 CE2 TYR A 44 -4.058 4.641 1.876 1.00 0.00 C ATOM 307 CZ TYR A 44 -4.481 5.955 2.115 1.00 0.00 C ATOM 308 OH TYR A 44 -3.596 6.851 2.629 1.00 0.00 O ATOM 0 H TYR A 44 -7.645 1.797 2.641 1.00 0.00 H new ATOM 0 HA TYR A 44 -9.040 3.885 1.212 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -6.731 2.047 0.511 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -7.334 3.303 -0.553 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -7.728 5.647 1.125 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -4.640 2.651 1.289 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -6.166 7.303 2.121 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -3.024 4.373 2.038 1.00 0.00 H new ATOM 0 HH TYR A 44 -4.022 7.351 3.356 1.00 0.00 H new ATOM 309 N ALA A 45 -9.422 0.707 0.356 1.00 0.00 N ATOM 310 CA ALA A 45 -10.199 -0.259 -0.406 1.00 0.00 C ATOM 311 C ALA A 45 -11.681 0.116 -0.286 1.00 0.00 C ATOM 312 O ALA A 45 -12.389 0.199 -1.286 1.00 0.00 O ATOM 313 CB ALA A 45 -9.960 -1.677 0.118 1.00 0.00 C ATOM 0 H ALA A 45 -8.783 0.265 1.016 1.00 0.00 H new ATOM 0 HA ALA A 45 -9.893 -0.239 -1.452 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -10.550 -2.384 -0.465 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -8.902 -1.925 0.027 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -10.257 -1.733 1.165 1.00 0.00 H new ATOM 314 N ASP A 46 -12.134 0.339 0.957 1.00 0.00 N ATOM 315 CA ASP A 46 -13.507 0.735 1.262 1.00 0.00 C ATOM 316 C ASP A 46 -13.688 2.255 1.113 1.00 0.00 C ATOM 317 O ASP A 46 -14.788 2.701 0.795 1.00 0.00 O ATOM 318 CB ASP A 46 -13.935 0.210 2.646 1.00 0.00 C ATOM 319 CG ASP A 46 -13.095 0.675 3.833 1.00 0.00 C ATOM 320 OD1 ASP A 46 -12.872 1.898 3.945 1.00 0.00 O ATOM 321 OD2 ASP A 46 -12.714 -0.202 4.639 1.00 0.00 O ATOM 0 H ASP A 46 -11.546 0.247 1.785 1.00 0.00 H new ATOM 0 HA ASP A 46 -14.175 0.273 0.535 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -14.969 0.508 2.821 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -13.917 -0.880 2.620 1.00 0.00 H new ATOM 322 N GLY A 47 -12.636 3.051 1.332 1.00 0.00 N ATOM 323 CA GLY A 47 -12.650 4.503 1.186 1.00 0.00 C ATOM 324 C GLY A 47 -12.865 5.259 2.500 1.00 0.00 C ATOM 325 O GLY A 47 -13.224 6.434 2.474 1.00 0.00 O ATOM 0 H GLY A 47 -11.728 2.689 1.624 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -11.706 4.823 0.745 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -13.438 4.780 0.486 1.00 0.00 H new ATOM 326 N SER A 48 -12.642 4.612 3.647 1.00 0.00 N ATOM 327 CA SER A 48 -12.793 5.216 4.963 1.00 0.00 C ATOM 328 C SER A 48 -11.489 5.853 5.458 1.00 0.00 C ATOM 329 O SER A 48 -11.549 6.622 6.416 1.00 0.00 O ATOM 330 CB SER A 48 -13.269 4.157 5.966 1.00 0.00 C ATOM 331 OG SER A 48 -13.594 4.774 7.199 1.00 0.00 O ATOM 0 H SER A 48 -12.346 3.636 3.682 1.00 0.00 H new ATOM 0 HA SER A 48 -13.535 6.010 4.879 1.00 0.00 H new ATOM 0 HB2 SER A 48 -14.140 3.634 5.570 1.00 0.00 H new ATOM 0 HB3 SER A 48 -12.490 3.410 6.117 1.00 0.00 H new ATOM 0 HG SER A 48 -13.136 5.638 7.263 1.00 0.00 H new ATOM 332 N TYR A 49 -10.324 5.504 4.892 1.00 0.00 N ATOM 333 CA TYR A 49 -9.038 6.078 5.302 1.00 0.00 C ATOM 334 C TYR A 49 -8.595 7.129 4.282 1.00 0.00 C ATOM 335 O TYR A 49 -9.043 7.107 3.137 1.00 0.00 O ATOM 336 CB TYR A 49 -7.995 4.965 5.479 1.00 0.00 C ATOM 337 CG TYR A 49 -6.614 5.418 5.917 1.00 0.00 C ATOM 338 CD1 TYR A 49 -6.454 6.175 7.093 1.00 0.00 C ATOM 339 CD2 TYR A 49 -5.483 5.087 5.147 1.00 0.00 C ATOM 340 CE1 TYR A 49 -5.194 6.698 7.427 1.00 0.00 C ATOM 341 CE2 TYR A 49 -4.219 5.595 5.495 1.00 0.00 C ATOM 342 CZ TYR A 49 -4.083 6.443 6.605 1.00 0.00 C ATOM 343 OH TYR A 49 -2.862 6.927 6.967 1.00 0.00 O ATOM 0 H TYR A 49 -10.249 4.819 4.140 1.00 0.00 H new ATOM 0 HA TYR A 49 -9.145 6.576 6.266 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -8.373 4.252 6.212 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -7.899 4.430 4.534 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -7.301 6.354 7.739 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -5.586 4.442 4.287 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -5.079 7.298 8.318 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -3.352 5.332 4.907 1.00 0.00 H new ATOM 0 HH TYR A 49 -2.198 6.680 6.290 1.00 0.00 H new ATOM 344 N GLY A 50 -7.716 8.048 4.700 1.00 0.00 N ATOM 345 CA GLY A 50 -7.225 9.136 3.870 1.00 0.00 C ATOM 346 C GLY A 50 -5.707 9.273 3.865 1.00 0.00 C ATOM 347 O GLY A 50 -4.984 8.435 4.397 1.00 0.00 O ATOM 0 H GLY A 50 -7.324 8.050 5.642 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -7.570 8.984 2.847 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -7.663 10.071 4.218 1.00 0.00 H new ATOM 348 N GLY A 51 -5.231 10.345 3.231 1.00 0.00 N ATOM 349 CA GLY A 51 -3.870 10.721 3.024 1.00 0.00 C ATOM 350 C GLY A 51 -3.809 11.716 1.871 1.00 0.00 C ATOM 351 O GLY A 51 -4.824 11.986 1.225 1.00 0.00 O ATOM 0 H GLY A 51 -5.868 11.025 2.817 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -3.459 11.166 3.930 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -3.265 9.843 2.798 1.00 0.00 H new ATOM 352 N GLU A 52 -2.611 12.241 1.637 1.00 0.00 N ATOM 353 CA GLU A 52 -2.267 13.209 0.605 1.00 0.00 C ATOM 354 C GLU A 52 -2.837 12.810 -0.758 1.00 0.00 C ATOM 355 O GLU A 52 -3.364 13.662 -1.473 1.00 0.00 O ATOM 356 CB GLU A 52 -0.738 13.313 0.493 1.00 0.00 C ATOM 357 CG GLU A 52 -0.070 13.845 1.770 1.00 0.00 C ATOM 358 CD GLU A 52 1.453 13.873 1.640 1.00 0.00 C ATOM 359 OE1 GLU A 52 2.009 12.868 1.144 1.00 0.00 O ATOM 360 OE2 GLU A 52 2.036 14.906 2.033 1.00 0.00 O ATOM 0 H GLU A 52 -1.802 11.983 2.202 1.00 0.00 H new ATOM 0 HA GLU A 52 -2.699 14.168 0.890 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -0.330 12.329 0.261 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -0.485 13.968 -0.341 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -0.436 14.850 1.981 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -0.352 13.219 2.616 1.00 0.00 H new ATOM 361 N ARG A 53 -2.693 11.537 -1.136 1.00 0.00 N ATOM 362 CA ARG A 53 -3.161 11.016 -2.417 1.00 0.00 C ATOM 363 C ARG A 53 -4.102 9.834 -2.195 1.00 0.00 C ATOM 364 O ARG A 53 -4.099 8.878 -2.972 1.00 0.00 O ATOM 365 CB ARG A 53 -1.950 10.626 -3.279 1.00 0.00 C ATOM 366 CG ARG A 53 -0.932 11.762 -3.458 1.00 0.00 C ATOM 367 CD ARG A 53 -1.476 12.911 -4.318 1.00 0.00 C ATOM 368 NE ARG A 53 -0.513 14.020 -4.395 1.00 0.00 N ATOM 369 CZ ARG A 53 -0.510 15.125 -3.632 1.00 0.00 C ATOM 370 NH1 ARG A 53 -1.413 15.308 -2.661 1.00 0.00 N ATOM 371 NH2 ARG A 53 0.420 16.060 -3.850 1.00 0.00 N ATOM 0 H ARG A 53 -2.242 10.833 -0.552 1.00 0.00 H new ATOM 0 HA ARG A 53 -3.725 11.784 -2.946 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -1.451 9.770 -2.824 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -2.301 10.306 -4.260 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -0.648 12.148 -2.479 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -0.027 11.365 -3.918 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -1.695 12.546 -5.321 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -2.415 13.270 -3.898 1.00 0.00 H new ATOM 0 HE ARG A 53 0.224 13.942 -5.096 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -2.125 14.599 -2.487 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -1.389 16.157 -2.095 1.00 0.00 H new ATOM 0 HH21 ARG A 53 1.113 15.928 -4.587 1.00 0.00 H new ATOM 0 HH22 ARG A 53 0.437 16.905 -3.280 1.00 0.00 H new ATOM 372 N LYS A 54 -4.954 9.930 -1.168 1.00 0.00 N ATOM 373 CA LYS A 54 -5.913 8.891 -0.815 1.00 0.00 C ATOM 374 C LYS A 54 -6.741 8.414 -2.015 1.00 0.00 C ATOM 375 O LYS A 54 -7.070 7.235 -2.112 1.00 0.00 O ATOM 376 CB LYS A 54 -6.864 9.423 0.261 1.00 0.00 C ATOM 377 CG LYS A 54 -7.640 10.697 -0.112 1.00 0.00 C ATOM 378 CD LYS A 54 -8.470 11.184 1.083 1.00 0.00 C ATOM 379 CE LYS A 54 -9.314 12.414 0.727 1.00 0.00 C ATOM 380 NZ LYS A 54 -8.477 13.577 0.380 1.00 0.00 N ATOM 0 H LYS A 54 -4.993 10.744 -0.554 1.00 0.00 H new ATOM 0 HA LYS A 54 -5.341 8.038 -0.449 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -7.582 8.640 0.506 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -6.288 9.621 1.165 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -6.945 11.477 -0.422 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -8.294 10.497 -0.961 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -9.124 10.381 1.423 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -7.806 11.427 1.912 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -9.968 12.175 -0.112 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -9.957 12.669 1.570 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -9.080 14.416 0.262 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -7.789 13.749 1.141 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -7.970 13.387 -0.508 1.00 0.00 H new ATOM 381 N ALA A 55 -7.115 9.337 -2.908 1.00 0.00 N ATOM 382 CA ALA A 55 -7.913 9.028 -4.087 1.00 0.00 C ATOM 383 C ALA A 55 -7.134 8.092 -5.009 1.00 0.00 C ATOM 384 O ALA A 55 -7.626 7.025 -5.377 1.00 0.00 O ATOM 385 CB ALA A 55 -8.286 10.328 -4.806 1.00 0.00 C ATOM 0 H ALA A 55 -6.868 10.323 -2.827 1.00 0.00 H new ATOM 0 HA ALA A 55 -8.832 8.522 -3.789 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -8.883 10.097 -5.688 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -8.863 10.963 -4.134 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -7.378 10.850 -5.109 1.00 0.00 H new ATOM 386 N MET A 56 -5.909 8.492 -5.366 1.00 0.00 N ATOM 387 CA MET A 56 -5.038 7.703 -6.223 1.00 0.00 C ATOM 388 C MET A 56 -4.844 6.332 -5.583 1.00 0.00 C ATOM 389 O MET A 56 -4.954 5.306 -6.255 1.00 0.00 O ATOM 390 CB MET A 56 -3.696 8.428 -6.402 1.00 0.00 C ATOM 391 CG MET A 56 -2.782 7.721 -7.409 1.00 0.00 C ATOM 392 SD MET A 56 -3.464 7.484 -9.068 1.00 0.00 S ATOM 393 CE MET A 56 -2.158 6.474 -9.801 1.00 0.00 C ATOM 0 H MET A 56 -5.499 9.376 -5.064 1.00 0.00 H new ATOM 0 HA MET A 56 -5.483 7.575 -7.210 1.00 0.00 H new ATOM 0 HB2 MET A 56 -3.879 9.449 -6.736 1.00 0.00 H new ATOM 0 HB3 MET A 56 -3.190 8.493 -5.439 1.00 0.00 H new ATOM 0 HG2 MET A 56 -1.858 8.293 -7.496 1.00 0.00 H new ATOM 0 HG3 MET A 56 -2.515 6.745 -7.004 1.00 0.00 H new ATOM 0 HE1 MET A 56 -2.418 6.235 -10.832 1.00 0.00 H new ATOM 0 HE2 MET A 56 -1.218 7.026 -9.783 1.00 0.00 H new ATOM 0 HE3 MET A 56 -2.048 5.551 -9.231 1.00 0.00 H new ATOM 394 N MET A 57 -4.577 6.340 -4.275 1.00 0.00 N ATOM 395 CA MET A 57 -4.380 5.144 -3.478 1.00 0.00 C ATOM 396 C MET A 57 -5.597 4.226 -3.574 1.00 0.00 C ATOM 397 O MET A 57 -5.466 3.045 -3.880 1.00 0.00 O ATOM 398 CB MET A 57 -4.092 5.552 -2.023 1.00 0.00 C ATOM 399 CG MET A 57 -2.587 5.533 -1.746 1.00 0.00 C ATOM 400 SD MET A 57 -1.798 3.940 -2.080 1.00 0.00 S ATOM 401 CE MET A 57 -2.699 2.808 -0.991 1.00 0.00 C ATOM 0 H MET A 57 -4.491 7.202 -3.736 1.00 0.00 H new ATOM 0 HA MET A 57 -3.526 4.584 -3.860 1.00 0.00 H new ATOM 0 HB2 MET A 57 -4.489 6.549 -1.834 1.00 0.00 H new ATOM 0 HB3 MET A 57 -4.601 4.871 -1.341 1.00 0.00 H new ATOM 0 HG2 MET A 57 -2.106 6.300 -2.354 1.00 0.00 H new ATOM 0 HG3 MET A 57 -2.416 5.800 -0.703 1.00 0.00 H new ATOM 0 HE1 MET A 57 -2.485 1.779 -1.279 1.00 0.00 H new ATOM 0 HE2 MET A 57 -2.385 2.969 0.040 1.00 0.00 H new ATOM 0 HE3 MET A 57 -3.769 2.994 -1.078 1.00 0.00 H new ATOM 402 N THR A 58 -6.792 4.759 -3.329 1.00 0.00 N ATOM 403 CA THR A 58 -8.023 3.989 -3.425 1.00 0.00 C ATOM 404 C THR A 58 -8.098 3.371 -4.819 1.00 0.00 C ATOM 405 O THR A 58 -8.303 2.168 -4.961 1.00 0.00 O ATOM 406 CB THR A 58 -9.215 4.913 -3.130 1.00 0.00 C ATOM 407 OG1 THR A 58 -9.107 5.381 -1.800 1.00 0.00 O ATOM 408 CG2 THR A 58 -10.554 4.195 -3.323 1.00 0.00 C ATOM 0 H THR A 58 -6.931 5.733 -3.060 1.00 0.00 H new ATOM 0 HA THR A 58 -8.047 3.180 -2.695 1.00 0.00 H new ATOM 0 HB THR A 58 -9.190 5.746 -3.832 1.00 0.00 H new ATOM 0 HG1 THR A 58 -8.404 6.062 -1.749 1.00 0.00 H new ATOM 0 HG21 THR A 58 -11.371 4.883 -3.104 1.00 0.00 H new ATOM 0 HG22 THR A 58 -10.636 3.850 -4.354 1.00 0.00 H new ATOM 0 HG23 THR A 58 -10.609 3.341 -2.649 1.00 0.00 H new ATOM 409 N ASN A 59 -7.884 4.191 -5.851 1.00 0.00 N ATOM 410 CA ASN A 59 -7.874 3.727 -7.232 1.00 0.00 C ATOM 411 C ASN A 59 -6.835 2.608 -7.413 1.00 0.00 C ATOM 412 O ASN A 59 -7.050 1.687 -8.197 1.00 0.00 O ATOM 413 CB ASN A 59 -7.620 4.923 -8.168 1.00 0.00 C ATOM 414 CG ASN A 59 -6.659 4.602 -9.308 1.00 0.00 C ATOM 415 OD1 ASN A 59 -7.078 4.279 -10.414 1.00 0.00 O ATOM 416 ND2 ASN A 59 -5.360 4.695 -9.041 1.00 0.00 N ATOM 0 H ASN A 59 -7.714 5.191 -5.749 1.00 0.00 H new ATOM 0 HA ASN A 59 -8.843 3.300 -7.490 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -8.570 5.257 -8.586 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -7.218 5.752 -7.586 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -4.674 4.495 -9.769 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -5.049 4.967 -8.108 1.00 0.00 H new ATOM 417 N ALA A 60 -5.713 2.683 -6.697 1.00 0.00 N ATOM 418 CA ALA A 60 -4.653 1.698 -6.785 1.00 0.00 C ATOM 419 C ALA A 60 -5.063 0.370 -6.140 1.00 0.00 C ATOM 420 O ALA A 60 -4.861 -0.682 -6.745 1.00 0.00 O ATOM 421 CB ALA A 60 -3.385 2.263 -6.126 1.00 0.00 C ATOM 0 H ALA A 60 -5.520 3.437 -6.037 1.00 0.00 H new ATOM 0 HA ALA A 60 -4.453 1.490 -7.836 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -2.584 1.527 -6.189 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -3.082 3.174 -6.642 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -3.589 2.489 -5.079 1.00 0.00 H new ATOM 422 N VAL A 61 -5.660 0.390 -4.940 1.00 0.00 N ATOM 423 CA VAL A 61 -5.968 -0.861 -4.244 1.00 0.00 C ATOM 424 C VAL A 61 -7.372 -1.404 -4.533 1.00 0.00 C ATOM 425 O VAL A 61 -7.607 -2.567 -4.228 1.00 0.00 O ATOM 426 CB VAL A 61 -5.806 -0.694 -2.719 1.00 0.00 C ATOM 427 CG1 VAL A 61 -4.632 0.177 -2.287 1.00 0.00 C ATOM 428 CG2 VAL A 61 -7.054 -0.270 -1.960 1.00 0.00 C ATOM 0 H VAL A 61 -5.933 1.238 -4.443 1.00 0.00 H new ATOM 0 HA VAL A 61 -5.252 -1.586 -4.631 1.00 0.00 H new ATOM 0 HB VAL A 61 -5.590 -1.723 -2.433 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -4.602 0.234 -1.199 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -3.702 -0.258 -2.653 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -4.751 1.179 -2.699 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -6.823 -0.184 -0.898 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -7.398 0.694 -2.335 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -7.837 -1.015 -2.102 1.00 0.00 H new ATOM 429 N LYS A 62 -8.316 -0.624 -5.081 1.00 0.00 N ATOM 430 CA LYS A 62 -9.687 -1.102 -5.306 1.00 0.00 C ATOM 431 C LYS A 62 -9.744 -2.444 -6.049 1.00 0.00 C ATOM 432 O LYS A 62 -10.638 -3.251 -5.814 1.00 0.00 O ATOM 433 CB LYS A 62 -10.526 -0.041 -6.043 1.00 0.00 C ATOM 434 CG LYS A 62 -10.089 0.215 -7.492 1.00 0.00 C ATOM 435 CD LYS A 62 -11.007 1.247 -8.162 1.00 0.00 C ATOM 436 CE LYS A 62 -10.678 1.411 -9.653 1.00 0.00 C ATOM 437 NZ LYS A 62 -9.360 2.032 -9.878 1.00 0.00 N ATOM 0 H LYS A 62 -8.155 0.339 -5.376 1.00 0.00 H new ATOM 0 HA LYS A 62 -10.116 -1.273 -4.318 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -11.570 -0.354 -6.041 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -10.473 0.896 -5.489 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -9.059 0.572 -7.509 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -10.112 -0.719 -8.054 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -12.046 0.938 -8.050 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -10.904 2.208 -7.658 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -10.702 0.434 -10.136 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -11.448 2.020 -10.126 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -8.945 1.658 -10.756 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -9.471 3.063 -9.959 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -8.732 1.814 -9.078 1.00 0.00 H new ATOM 438 N LYS A 63 -8.791 -2.679 -6.954 1.00 0.00 N ATOM 439 CA LYS A 63 -8.716 -3.903 -7.741 1.00 0.00 C ATOM 440 C LYS A 63 -8.210 -5.104 -6.926 1.00 0.00 C ATOM 441 O LYS A 63 -8.128 -6.203 -7.469 1.00 0.00 O ATOM 442 CB LYS A 63 -7.844 -3.652 -8.982 1.00 0.00 C ATOM 443 CG LYS A 63 -6.432 -3.133 -8.670 1.00 0.00 C ATOM 444 CD LYS A 63 -5.641 -2.975 -9.976 1.00 0.00 C ATOM 445 CE LYS A 63 -4.478 -1.985 -9.840 1.00 0.00 C ATOM 446 NZ LYS A 63 -3.586 -2.317 -8.718 1.00 0.00 N ATOM 0 H LYS A 63 -8.044 -2.016 -7.160 1.00 0.00 H new ATOM 0 HA LYS A 63 -9.725 -4.168 -8.055 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -7.760 -4.581 -9.546 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -8.349 -2.932 -9.626 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -6.492 -2.176 -8.151 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -5.918 -3.826 -8.003 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -5.253 -3.947 -10.282 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -6.312 -2.636 -10.765 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -3.904 -1.974 -10.766 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -4.875 -0.980 -9.700 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -2.600 -2.126 -8.990 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -3.836 -1.736 -7.892 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -3.690 -3.323 -8.478 1.00 0.00 H new ATOM 447 N TYR A 64 -7.850 -4.917 -5.652 1.00 0.00 N ATOM 448 CA TYR A 64 -7.370 -5.932 -4.754 1.00 0.00 C ATOM 449 C TYR A 64 -8.434 -6.115 -3.673 1.00 0.00 C ATOM 450 O TYR A 64 -9.045 -5.165 -3.189 1.00 0.00 O ATOM 451 CB TYR A 64 -6.033 -5.508 -4.139 1.00 0.00 C ATOM 452 CG TYR A 64 -4.885 -5.231 -5.098 1.00 0.00 C ATOM 453 CD1 TYR A 64 -4.837 -5.806 -6.383 1.00 0.00 C ATOM 454 CD2 TYR A 64 -3.830 -4.400 -4.679 1.00 0.00 C ATOM 455 CE1 TYR A 64 -3.779 -5.500 -7.254 1.00 0.00 C ATOM 456 CE2 TYR A 64 -2.722 -4.182 -5.516 1.00 0.00 C ATOM 457 CZ TYR A 64 -2.694 -4.733 -6.807 1.00 0.00 C ATOM 458 OH TYR A 64 -1.674 -4.448 -7.668 1.00 0.00 O ATOM 0 H TYR A 64 -7.894 -3.998 -5.211 1.00 0.00 H new ATOM 0 HA TYR A 64 -7.199 -6.871 -5.281 1.00 0.00 H new ATOM 0 HB2 TYR A 64 -6.203 -4.609 -3.547 1.00 0.00 H new ATOM 0 HB3 TYR A 64 -5.716 -6.289 -3.448 1.00 0.00 H new ATOM 0 HD1 TYR A 64 -5.616 -6.484 -6.699 1.00 0.00 H new ATOM 0 HD2 TYR A 64 -3.872 -3.927 -3.709 1.00 0.00 H new ATOM 0 HE1 TYR A 64 -3.801 -5.857 -8.273 1.00 0.00 H new ATOM 0 HE2 TYR A 64 -1.890 -3.589 -5.165 1.00 0.00 H new ATOM 0 HH TYR A 64 -0.832 -4.387 -7.170 1.00 0.00 H new ATOM 459 N SER A 65 -8.639 -7.373 -3.320 1.00 0.00 N ATOM 460 CA SER A 65 -9.587 -7.871 -2.337 1.00 0.00 C ATOM 461 C SER A 65 -8.861 -8.171 -1.028 1.00 0.00 C ATOM 462 O SER A 65 -7.639 -8.250 -1.016 1.00 0.00 O ATOM 463 CB SER A 65 -10.245 -9.122 -2.922 1.00 0.00 C ATOM 464 OG SER A 65 -9.263 -10.104 -3.191 1.00 0.00 O ATOM 0 H SER A 65 -8.106 -8.131 -3.746 1.00 0.00 H new ATOM 0 HA SER A 65 -10.356 -7.131 -2.115 1.00 0.00 H new ATOM 0 HB2 SER A 65 -10.983 -9.516 -2.223 1.00 0.00 H new ATOM 0 HB3 SER A 65 -10.778 -8.868 -3.838 1.00 0.00 H new ATOM 0 HG SER A 65 -9.692 -10.902 -3.564 1.00 0.00 H new ATOM 465 N ASP A 66 -9.605 -8.370 0.065 1.00 0.00 N ATOM 466 CA ASP A 66 -9.069 -8.636 1.400 1.00 0.00 C ATOM 467 C ASP A 66 -7.844 -9.561 1.410 1.00 0.00 C ATOM 468 O ASP A 66 -6.842 -9.248 2.046 1.00 0.00 O ATOM 469 CB ASP A 66 -10.182 -9.235 2.266 1.00 0.00 C ATOM 470 CG ASP A 66 -9.655 -9.538 3.660 1.00 0.00 C ATOM 471 OD1 ASP A 66 -9.429 -8.558 4.400 1.00 0.00 O ATOM 472 OD2 ASP A 66 -9.450 -10.735 3.951 1.00 0.00 O ATOM 0 H ASP A 66 -10.625 -8.349 0.043 1.00 0.00 H new ATOM 0 HA ASP A 66 -8.723 -7.683 1.800 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -11.019 -8.539 2.329 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -10.560 -10.148 1.806 1.00 0.00 H new ATOM 473 N GLU A 67 -7.925 -10.697 0.717 1.00 0.00 N ATOM 474 CA GLU A 67 -6.833 -11.663 0.640 1.00 0.00 C ATOM 475 C GLU A 67 -5.597 -11.019 0.004 1.00 0.00 C ATOM 476 O GLU A 67 -4.480 -11.124 0.517 1.00 0.00 O ATOM 477 CB GLU A 67 -7.332 -12.889 -0.147 1.00 0.00 C ATOM 478 CG GLU A 67 -6.239 -13.808 -0.717 1.00 0.00 C ATOM 479 CD GLU A 67 -5.179 -14.242 0.292 1.00 0.00 C ATOM 480 OE1 GLU A 67 -5.535 -14.409 1.478 1.00 0.00 O ATOM 481 OE2 GLU A 67 -4.023 -14.406 -0.163 1.00 0.00 O ATOM 0 H GLU A 67 -8.755 -10.973 0.191 1.00 0.00 H new ATOM 0 HA GLU A 67 -6.531 -11.989 1.635 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -7.973 -13.480 0.507 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -7.953 -12.540 -0.972 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -6.712 -14.698 -1.132 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -5.746 -13.295 -1.543 1.00 0.00 H new ATOM 482 N GLU A 68 -5.804 -10.367 -1.140 1.00 0.00 N ATOM 483 CA GLU A 68 -4.745 -9.701 -1.870 1.00 0.00 C ATOM 484 C GLU A 68 -4.129 -8.633 -0.963 1.00 0.00 C ATOM 485 O GLU A 68 -2.922 -8.633 -0.760 1.00 0.00 O ATOM 486 CB GLU A 68 -5.320 -9.110 -3.167 1.00 0.00 C ATOM 487 CG GLU A 68 -6.026 -10.140 -4.064 1.00 0.00 C ATOM 488 CD GLU A 68 -5.090 -11.212 -4.608 1.00 0.00 C ATOM 489 OE1 GLU A 68 -4.829 -12.180 -3.858 1.00 0.00 O ATOM 490 OE2 GLU A 68 -4.652 -11.054 -5.766 1.00 0.00 O ATOM 0 H GLU A 68 -6.720 -10.290 -1.582 1.00 0.00 H new ATOM 0 HA GLU A 68 -3.957 -10.399 -2.153 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -6.027 -8.320 -2.912 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -4.512 -8.645 -3.732 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -6.824 -10.619 -3.496 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -6.497 -9.621 -4.899 1.00 0.00 H new ATOM 491 N LEU A 69 -4.961 -7.763 -0.385 1.00 0.00 N ATOM 492 CA LEU A 69 -4.555 -6.690 0.511 1.00 0.00 C ATOM 493 C LEU A 69 -3.727 -7.223 1.679 1.00 0.00 C ATOM 494 O LEU A 69 -2.650 -6.706 1.968 1.00 0.00 O ATOM 495 CB LEU A 69 -5.807 -5.989 1.052 1.00 0.00 C ATOM 496 CG LEU A 69 -6.608 -5.207 0.007 1.00 0.00 C ATOM 497 CD1 LEU A 69 -7.756 -4.488 0.718 1.00 0.00 C ATOM 498 CD2 LEU A 69 -5.739 -4.186 -0.722 1.00 0.00 C ATOM 0 H LEU A 69 -5.969 -7.792 -0.537 1.00 0.00 H new ATOM 0 HA LEU A 69 -3.937 -5.988 -0.049 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -6.459 -6.737 1.503 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -5.509 -5.305 1.847 1.00 0.00 H new ATOM 0 HG LEU A 69 -6.989 -5.906 -0.738 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -8.339 -3.925 -0.010 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -8.397 -5.221 1.207 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -7.351 -3.805 1.465 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -6.343 -3.651 -1.455 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -5.330 -3.477 -0.003 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -4.923 -4.700 -1.230 1.00 0.00 H new ATOM 499 N LYS A 70 -4.235 -8.246 2.366 1.00 0.00 N ATOM 500 CA LYS A 70 -3.555 -8.853 3.496 1.00 0.00 C ATOM 501 C LYS A 70 -2.162 -9.318 3.069 1.00 0.00 C ATOM 502 O LYS A 70 -1.172 -9.022 3.741 1.00 0.00 O ATOM 503 CB LYS A 70 -4.421 -10.006 4.014 1.00 0.00 C ATOM 504 CG LYS A 70 -3.828 -10.696 5.246 1.00 0.00 C ATOM 505 CD LYS A 70 -4.855 -11.565 5.990 1.00 0.00 C ATOM 506 CE LYS A 70 -5.562 -12.602 5.105 1.00 0.00 C ATOM 507 NZ LYS A 70 -6.729 -12.037 4.399 1.00 0.00 N ATOM 0 H LYS A 70 -5.135 -8.675 2.148 1.00 0.00 H new ATOM 0 HA LYS A 70 -3.417 -8.135 4.305 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -5.413 -9.626 4.260 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -4.550 -10.741 3.220 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -2.986 -11.317 4.940 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -3.436 -9.941 5.927 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -4.352 -12.083 6.806 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -5.606 -10.915 6.440 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -4.855 -12.995 4.375 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -5.885 -13.442 5.721 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -7.333 -12.810 4.054 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -7.273 -11.437 5.052 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -6.404 -11.465 3.593 1.00 0.00 H new ATOM 508 N ALA A 71 -2.074 -10.018 1.934 1.00 0.00 N ATOM 509 CA ALA A 71 -0.793 -10.504 1.454 1.00 0.00 C ATOM 510 C ALA A 71 0.115 -9.332 1.075 1.00 0.00 C ATOM 511 O ALA A 71 1.310 -9.350 1.363 1.00 0.00 O ATOM 512 CB ALA A 71 -1.022 -11.430 0.265 1.00 0.00 C ATOM 0 H ALA A 71 -2.870 -10.255 1.341 1.00 0.00 H new ATOM 0 HA ALA A 71 -0.294 -11.064 2.245 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -0.063 -11.798 -0.100 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -1.640 -12.273 0.574 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -1.527 -10.882 -0.531 1.00 0.00 H new ATOM 513 N LEU A 72 -0.445 -8.307 0.430 1.00 0.00 N ATOM 514 CA LEU A 72 0.283 -7.125 0.009 1.00 0.00 C ATOM 515 C LEU A 72 0.919 -6.462 1.231 1.00 0.00 C ATOM 516 O LEU A 72 2.104 -6.135 1.214 1.00 0.00 O ATOM 517 CB LEU A 72 -0.753 -6.219 -0.652 1.00 0.00 C ATOM 518 CG LEU A 72 -0.191 -5.189 -1.613 1.00 0.00 C ATOM 519 CD1 LEU A 72 0.654 -5.830 -2.668 1.00 0.00 C ATOM 520 CD2 LEU A 72 -1.391 -4.542 -2.289 1.00 0.00 C ATOM 0 H LEU A 72 -1.435 -8.282 0.185 1.00 0.00 H new ATOM 0 HA LEU A 72 1.092 -7.350 -0.686 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -1.467 -6.843 -1.190 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -1.308 -5.699 0.129 1.00 0.00 H new ATOM 0 HG LEU A 72 0.431 -4.475 -1.073 1.00 0.00 H new ATOM 0 HD11 LEU A 72 1.041 -5.064 -3.340 1.00 0.00 H new ATOM 0 HD12 LEU A 72 1.486 -6.355 -2.199 1.00 0.00 H new ATOM 0 HD13 LEU A 72 0.052 -6.539 -3.235 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -1.047 -3.787 -2.996 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -1.963 -5.303 -2.820 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -2.023 -4.072 -1.536 1.00 0.00 H new ATOM 521 N ALA A 73 0.134 -6.269 2.298 1.00 0.00 N ATOM 522 CA ALA A 73 0.624 -5.658 3.525 1.00 0.00 C ATOM 523 C ALA A 73 1.687 -6.549 4.142 1.00 0.00 C ATOM 524 O ALA A 73 2.706 -6.041 4.597 1.00 0.00 O ATOM 525 CB ALA A 73 -0.495 -5.498 4.556 1.00 0.00 C ATOM 0 H ALA A 73 -0.851 -6.532 2.329 1.00 0.00 H new ATOM 0 HA ALA A 73 1.024 -4.677 3.267 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -0.094 -5.039 5.460 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -1.281 -4.864 4.145 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -0.908 -6.477 4.799 1.00 0.00 H new ATOM 526 N ASP A 74 1.435 -7.862 4.206 1.00 0.00 N ATOM 527 CA ASP A 74 2.407 -8.801 4.749 1.00 0.00 C ATOM 528 C ASP A 74 3.738 -8.589 4.027 1.00 0.00 C ATOM 529 O ASP A 74 4.771 -8.428 4.672 1.00 0.00 O ATOM 530 CB ASP A 74 1.906 -10.240 4.596 1.00 0.00 C ATOM 531 CG ASP A 74 2.946 -11.229 5.104 1.00 0.00 C ATOM 532 OD1 ASP A 74 3.002 -11.406 6.340 1.00 0.00 O ATOM 533 OD2 ASP A 74 3.665 -11.785 4.247 1.00 0.00 O ATOM 0 H ASP A 74 0.566 -8.291 3.888 1.00 0.00 H new ATOM 0 HA ASP A 74 2.547 -8.625 5.815 1.00 0.00 H new ATOM 0 HB2 ASP A 74 0.975 -10.367 5.149 1.00 0.00 H new ATOM 0 HB3 ASP A 74 1.684 -10.444 3.548 1.00 0.00 H new ATOM 534 N TYR A 75 3.697 -8.528 2.691 1.00 0.00 N ATOM 535 CA TYR A 75 4.890 -8.289 1.899 1.00 0.00 C ATOM 536 C TYR A 75 5.514 -6.951 2.282 1.00 0.00 C ATOM 537 O TYR A 75 6.690 -6.910 2.638 1.00 0.00 O ATOM 538 CB TYR A 75 4.577 -8.328 0.396 1.00 0.00 C ATOM 539 CG TYR A 75 5.813 -8.001 -0.415 1.00 0.00 C ATOM 540 CD1 TYR A 75 6.834 -8.963 -0.464 1.00 0.00 C ATOM 541 CD2 TYR A 75 6.098 -6.666 -0.776 1.00 0.00 C ATOM 542 CE1 TYR A 75 8.119 -8.605 -0.893 1.00 0.00 C ATOM 543 CE2 TYR A 75 7.409 -6.293 -1.134 1.00 0.00 C ATOM 544 CZ TYR A 75 8.418 -7.271 -1.194 1.00 0.00 C ATOM 545 OH TYR A 75 9.716 -6.955 -1.456 1.00 0.00 O ATOM 0 H TYR A 75 2.844 -8.642 2.143 1.00 0.00 H new ATOM 0 HA TYR A 75 5.604 -9.085 2.110 1.00 0.00 H new ATOM 0 HB2 TYR A 75 4.207 -9.316 0.122 1.00 0.00 H new ATOM 0 HB3 TYR A 75 3.785 -7.615 0.165 1.00 0.00 H new ATOM 0 HD1 TYR A 75 6.629 -9.982 -0.170 1.00 0.00 H new ATOM 0 HD2 TYR A 75 5.309 -5.929 -0.778 1.00 0.00 H new ATOM 0 HE1 TYR A 75 8.883 -9.362 -0.992 1.00 0.00 H new ATOM 0 HE2 TYR A 75 7.638 -5.262 -1.361 1.00 0.00 H new ATOM 0 HH TYR A 75 9.846 -5.990 -1.348 1.00 0.00 H new ATOM 546 N MET A 76 4.760 -5.850 2.189 1.00 0.00 N ATOM 547 CA MET A 76 5.305 -4.549 2.557 1.00 0.00 C ATOM 548 C MET A 76 5.949 -4.580 3.943 1.00 0.00 C ATOM 549 O MET A 76 7.014 -4.012 4.132 1.00 0.00 O ATOM 550 CB MET A 76 4.204 -3.497 2.534 1.00 0.00 C ATOM 551 CG MET A 76 4.064 -2.890 1.145 1.00 0.00 C ATOM 552 SD MET A 76 2.765 -1.646 1.073 1.00 0.00 S ATOM 553 CE MET A 76 1.323 -2.718 1.078 1.00 0.00 C ATOM 0 H MET A 76 3.792 -5.837 1.869 1.00 0.00 H new ATOM 0 HA MET A 76 6.075 -4.296 1.828 1.00 0.00 H new ATOM 0 HB2 MET A 76 3.258 -3.947 2.836 1.00 0.00 H new ATOM 0 HB3 MET A 76 4.429 -2.713 3.257 1.00 0.00 H new ATOM 0 HG2 MET A 76 5.012 -2.440 0.850 1.00 0.00 H new ATOM 0 HG3 MET A 76 3.848 -3.680 0.425 1.00 0.00 H new ATOM 0 HE1 MET A 76 0.630 -2.399 0.299 1.00 0.00 H new ATOM 0 HE2 MET A 76 1.633 -3.746 0.889 1.00 0.00 H new ATOM 0 HE3 MET A 76 0.830 -2.660 2.048 1.00 0.00 H new ATOM 554 N SER A 77 5.345 -5.275 4.904 1.00 0.00 N ATOM 555 CA SER A 77 5.863 -5.362 6.263 1.00 0.00 C ATOM 556 C SER A 77 7.256 -6.004 6.339 1.00 0.00 C ATOM 557 O SER A 77 7.822 -6.024 7.431 1.00 0.00 O ATOM 558 CB SER A 77 4.864 -6.119 7.138 1.00 0.00 C ATOM 559 OG SER A 77 5.085 -5.834 8.510 1.00 0.00 O ATOM 0 H SER A 77 4.479 -5.795 4.759 1.00 0.00 H new ATOM 0 HA SER A 77 5.985 -4.344 6.634 1.00 0.00 H new ATOM 0 HB2 SER A 77 3.847 -5.840 6.862 1.00 0.00 H new ATOM 0 HB3 SER A 77 4.959 -7.191 6.964 1.00 0.00 H new ATOM 0 HG SER A 77 6.048 -5.820 8.690 1.00 0.00 H new ATOM 560 N LYS A 78 7.780 -6.584 5.248 1.00 0.00 N ATOM 561 CA LYS A 78 9.139 -7.132 5.239 1.00 0.00 C ATOM 562 C LYS A 78 10.139 -5.969 5.091 1.00 0.00 C ATOM 563 O LYS A 78 11.308 -6.139 5.434 1.00 0.00 O ATOM 564 CB LYS A 78 9.309 -8.177 4.113 1.00 0.00 C ATOM 565 CG LYS A 78 10.761 -8.655 3.945 1.00 0.00 C ATOM 566 CD LYS A 78 10.893 -9.787 2.915 1.00 0.00 C ATOM 567 CE LYS A 78 10.366 -9.406 1.525 1.00 0.00 C ATOM 568 NZ LYS A 78 10.972 -8.162 1.013 1.00 0.00 N ATOM 0 H LYS A 78 7.282 -6.684 4.364 1.00 0.00 H new ATOM 0 HA LYS A 78 9.332 -7.651 6.178 1.00 0.00 H new ATOM 0 HB2 LYS A 78 8.672 -9.036 4.324 1.00 0.00 H new ATOM 0 HB3 LYS A 78 8.963 -7.748 3.173 1.00 0.00 H new ATOM 0 HG2 LYS A 78 11.383 -7.815 3.638 1.00 0.00 H new ATOM 0 HG3 LYS A 78 11.141 -8.998 4.907 1.00 0.00 H new ATOM 0 HD2 LYS A 78 11.941 -10.074 2.833 1.00 0.00 H new ATOM 0 HD3 LYS A 78 10.351 -10.661 3.275 1.00 0.00 H new ATOM 0 HE2 LYS A 78 10.569 -10.219 0.828 1.00 0.00 H new ATOM 0 HE3 LYS A 78 9.283 -9.287 1.570 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 10.559 -7.930 0.087 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 10.787 -7.386 1.680 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 11.999 -8.293 0.911 1.00 0.00 H new ATOM 569 N LEU A 79 9.704 -4.830 4.533 1.00 0.00 N ATOM 570 CA LEU A 79 10.530 -3.644 4.350 1.00 0.00 C ATOM 571 C LEU A 79 11.132 -3.200 5.690 1.00 0.00 C ATOM 572 O LEU A 79 10.350 -3.116 6.663 1.00 0.00 O ATOM 573 CB LEU A 79 9.677 -2.492 3.813 1.00 0.00 C ATOM 574 CG LEU A 79 9.448 -2.364 2.299 1.00 0.00 C ATOM 575 CD1 LEU A 79 9.333 -3.659 1.541 1.00 0.00 C ATOM 576 CD2 LEU A 79 8.156 -1.628 1.950 1.00 0.00 C ATOM 577 OXT LEU A 79 12.334 -2.856 5.691 1.00 0.00 O ATOM 0 H LEU A 79 8.750 -4.713 4.192 1.00 0.00 H new ATOM 0 HA LEU A 79 11.325 -3.891 3.646 1.00 0.00 H new ATOM 0 HB2 LEU A 79 8.698 -2.562 4.287 1.00 0.00 H new ATOM 0 HB3 LEU A 79 10.131 -1.562 4.155 1.00 0.00 H new ATOM 0 HG LEU A 79 10.349 -1.826 2.004 1.00 0.00 H new ATOM 0 HD11 LEU A 79 9.173 -3.449 0.484 1.00 0.00 H new ATOM 0 HD12 LEU A 79 10.251 -4.234 1.662 1.00 0.00 H new ATOM 0 HD13 LEU A 79 8.491 -4.234 1.928 1.00 0.00 H new ATOM 0 HD21 LEU A 79 8.051 -1.570 0.867 1.00 0.00 H new ATOM 0 HD22 LEU A 79 7.306 -2.167 2.368 1.00 0.00 H new ATOM 0 HD23 LEU A 79 8.187 -0.621 2.366 1.00 0.00 H new TER 578 LEU A 79 HETATM 579 FE HEM A 80 0.548 3.882 -2.164 1.00 6.41 FE HETATM 580 CHA HEM A 80 0.419 5.092 0.985 1.00 5.52 C HETATM 581 CHB HEM A 80 -0.012 0.724 -0.943 1.00 7.91 C HETATM 582 CHC HEM A 80 0.164 2.718 -5.358 1.00 6.02 C HETATM 583 CHD HEM A 80 1.057 7.077 -3.382 1.00 10.53 C HETATM 584 NA HEM A 80 0.365 3.057 -0.336 1.00 6.22 N HETATM 585 C1A HEM A 80 0.335 3.727 0.863 1.00 6.23 C HETATM 586 C2A HEM A 80 0.251 2.814 1.974 1.00 8.27 C HETATM 587 C3A HEM A 80 0.178 1.578 1.433 1.00 7.07 C HETATM 588 C4A HEM A 80 0.188 1.731 -0.008 1.00 9.92 C HETATM 589 CMA HEM A 80 0.150 0.292 2.183 1.00 7.00 C HETATM 590 CAA HEM A 80 0.340 3.184 3.440 1.00 7.29 C HETATM 591 CBA HEM A 80 -0.675 4.213 3.966 1.00 11.15 C HETATM 592 CGA HEM A 80 -0.052 5.388 4.719 1.00 22.27 C HETATM 593 O1A HEM A 80 1.111 5.710 4.481 1.00 18.65 O HETATM 594 O2A HEM A 80 -0.751 5.977 5.538 1.00 17.21 O HETATM 595 NB HEM A 80 0.051 2.136 -2.973 1.00 4.54 N HETATM 596 C1B HEM A 80 -0.202 0.957 -2.302 1.00 10.91 C HETATM 597 C2B HEM A 80 -0.675 -0.032 -3.217 1.00 5.88 C HETATM 598 C3B HEM A 80 -0.410 0.427 -4.469 1.00 -0.05 C HETATM 599 C4B HEM A 80 -0.060 1.825 -4.316 1.00 4.49 C HETATM 600 CMB HEM A 80 -1.200 -1.362 -2.779 1.00 4.31 C HETATM 601 CAB HEM A 80 -0.358 -0.362 -5.761 1.00 6.35 C HETATM 602 CBB HEM A 80 -1.653 -0.988 -6.289 1.00 6.48 C HETATM 603 NC HEM A 80 0.720 4.700 -3.991 1.00 3.58 N HETATM 604 C1C HEM A 80 0.532 4.052 -5.201 1.00 4.45 C HETATM 605 C2C HEM A 80 0.840 4.938 -6.293 1.00 5.77 C HETATM 606 C3C HEM A 80 1.253 6.113 -5.746 1.00 8.44 C HETATM 607 C4C HEM A 80 1.014 6.019 -4.308 1.00 11.13 C HETATM 608 CMC HEM A 80 0.786 4.535 -7.746 1.00 8.62 C HETATM 609 CAC HEM A 80 1.873 7.284 -6.470 1.00 3.39 C HETATM 610 CBC HEM A 80 0.841 8.174 -7.164 1.00 10.94 C HETATM 611 ND HEM A 80 0.724 5.714 -1.365 1.00 4.28 N HETATM 612 C1D HEM A 80 0.921 6.934 -1.991 1.00 5.02 C HETATM 613 C2D HEM A 80 0.997 7.992 -0.970 1.00 3.97 C HETATM 614 C3D HEM A 80 0.890 7.378 0.248 1.00 5.11 C HETATM 615 C4D HEM A 80 0.656 5.998 -0.023 1.00 9.05 C HETATM 616 CMD HEM A 80 1.189 9.462 -1.236 1.00 5.28 C HETATM 617 CAD HEM A 80 0.958 7.902 1.680 1.00 9.04 C HETATM 618 CBD HEM A 80 -0.395 8.323 2.248 1.00 6.36 C HETATM 619 CGD HEM A 80 -0.811 9.677 1.712 1.00 6.46 C HETATM 620 O1D HEM A 80 -0.446 10.668 2.336 1.00 8.25 O HETATM 621 O2D HEM A 80 -1.521 9.729 0.710 1.00 15.15 O HETATM 0 HMA1 HEM A 80 -0.375 -0.461 1.595 1.00 7.00 H new HETATM 0 HMA2 HEM A 80 -0.366 0.436 3.132 1.00 7.00 H new HETATM 0 HMA3 HEM A 80 1.170 -0.042 2.371 1.00 7.00 H new HETATM 0 HMB1 HEM A 80 -1.950 -1.709 -3.490 1.00 4.31 H new HETATM 0 HMB2 HEM A 80 -1.653 -1.267 -1.792 1.00 4.31 H new HETATM 0 HMB3 HEM A 80 -0.381 -2.080 -2.735 1.00 4.31 H new HETATM 0 HMC1 HEM A 80 0.531 5.402 -8.355 1.00 8.62 H new HETATM 0 HMC2 HEM A 80 0.029 3.762 -7.881 1.00 8.62 H new HETATM 0 HMC3 HEM A 80 1.758 4.149 -8.053 1.00 8.62 H new HETATM 0 HMD1 HEM A 80 1.770 9.594 -2.149 1.00 5.28 H new HETATM 0 HMD2 HEM A 80 1.720 9.917 -0.400 1.00 5.28 H new HETATM 0 HMD3 HEM A 80 0.217 9.941 -1.352 1.00 5.28 H new HETATM 0 HBB1 HEM A 80 -1.643 -1.561 -7.216 1.00 6.48 H new HETATM 0 HBB2 HEM A 80 -2.584 -0.861 -5.737 1.00 6.48 H new HETATM 0 HBC1 HEM A 80 1.166 9.053 -7.721 1.00 10.94 H new HETATM 0 HBC2 HEM A 80 -0.219 7.929 -7.102 1.00 10.94 H new HETATM 0 HBA1 HEM A 80 -1.378 3.706 4.627 1.00 11.15 H new HETATM 0 HBA2 HEM A 80 -1.250 4.600 3.125 1.00 11.15 H new HETATM 0 HAA1 HEM A 80 1.342 3.569 3.632 1.00 7.29 H new HETATM 0 HAA2 HEM A 80 0.231 2.272 4.026 1.00 7.29 H new HETATM 0 HBD1 HEM A 80 -0.341 8.359 3.336 1.00 6.36 H new HETATM 0 HBD2 HEM A 80 -1.149 7.579 1.991 1.00 6.36 H new HETATM 0 HAD1 HEM A 80 1.636 8.755 1.713 1.00 9.04 H new HETATM 0 HAD2 HEM A 80 1.385 7.130 2.319 1.00 9.04 H new HETATM 0 HHA HEM A 80 0.285 5.497 1.977 1.00 5.52 H new HETATM 0 HHB HEM A 80 -0.021 -0.299 -0.596 1.00 7.91 H new HETATM 0 HHC HEM A 80 0.043 2.349 -6.366 1.00 6.02 H new HETATM 0 HHD HEM A 80 1.206 8.074 -3.769 1.00 10.53 H new HETATM 0 HAB HEM A 80 0.580 -0.482 -6.303 1.00 6.35 H new HETATM 0 HAC HEM A 80 2.946 7.475 -6.495 1.00 3.39 H new