USER MOD reduce.3.24.130724 H: found=0, std=0, add=735, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 733 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 10 HIS HD1 : A 10 HIS ND1 : A 101 ZNZN :(H bumps) USER MOD NoAdj-H: A 60 HIS HD1 : A 60 HIS ND1 : A 102 ZNZN :(H bumps) USER MOD NoAdj-H: A 64 HIS HE2 : A 64 HIS NE2 : A 103 ZNZN :(H bumps) USER MOD NoAdj-H: A 70 HIS HD1 : A 70 HIS ND1 : A 103 ZNZN :(H bumps) USER MOD Set 1.1: A 75 ASN : amide:sc= -10.9! C(o=-17!,f=-8.9!) USER MOD Set 1.2: A 77 THR OG1 : rot -37:sc= -6.01! USER MOD Set 2.1: A 61 SER OG : rot 133:sc= 0.112 USER MOD Set 2.2: A 73 THR OG1 : rot 116:sc= 0.595 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -153:sc= -0.11 (180deg=-0.743) USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 18 THR OG1 : rot 180:sc= -0.487 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 LYS NZ :NH3+ 164:sc= -6.08! (180deg=-7.28!) USER MOD Single : A 26 SER OG : rot -49:sc= -0.661 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 GLN : amide:sc= -7! C(o=-7!,f=-5.2!) USER MOD Single : A 32 SER OG : rot 150:sc= -0.769 USER MOD Single : A 36 THR OG1 : rot 180:sc= -1.13! USER MOD Single : A 39 ASN : amide:sc=-0.00819 X(o=-0.0082,f=-0.42) USER MOD Single : A 45 GLN : amide:sc= -7.4! C(o=-7.4!,f=-8.2!) USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 SER OG : rot -170:sc= -1.24 USER MOD Single : A 62 THR OG1 : rot -84:sc= 0.602 USER MOD Single : A 66 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 68 LYS NZ :NH3+ -122:sc= -1.17 (180deg=-4.87!) USER MOD Single : A 69 LYS NZ :NH3+ -156:sc= 1.23 (180deg=-0.127) USER MOD Single : A 71 ASN : amide:sc= -7.43! C(o=-7.4!,f=-6.5!) USER MOD Single : A 78 THR OG1 : rot -100:sc= -2.85! USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD Single : A 88 LYS NZ :NH3+ -124:sc= -0.963 (180deg=-3.05!) USER MOD Single : A 94 GLN : amide:sc= -0.647 K(o=-0.65,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 17.254 0.502 -4.920 1.00 0.00 N ATOM 2 CA MET A 1 17.419 -0.848 -4.310 1.00 0.00 C ATOM 3 C MET A 1 16.634 -0.914 -2.999 1.00 0.00 C ATOM 4 O MET A 1 15.420 -0.986 -2.993 1.00 0.00 O ATOM 5 CB MET A 1 18.902 -1.103 -4.031 1.00 0.00 C ATOM 6 CG MET A 1 19.663 -1.222 -5.353 1.00 0.00 C ATOM 7 SD MET A 1 19.410 -2.874 -6.048 1.00 0.00 S ATOM 8 CE MET A 1 20.238 -2.584 -7.631 1.00 0.00 C ATOM 0 H1 MET A 1 17.367 0.433 -5.952 1.00 0.00 H new ATOM 0 H2 MET A 1 16.306 0.869 -4.699 1.00 0.00 H new ATOM 0 H3 MET A 1 17.973 1.147 -4.535 1.00 0.00 H new ATOM 0 HA MET A 1 17.043 -1.606 -4.997 1.00 0.00 H new ATOM 0 HB2 MET A 1 19.315 -0.289 -3.435 1.00 0.00 H new ATOM 0 HB3 MET A 1 19.020 -2.017 -3.449 1.00 0.00 H new ATOM 0 HG2 MET A 1 19.316 -0.464 -6.055 1.00 0.00 H new ATOM 0 HG3 MET A 1 20.726 -1.043 -5.191 1.00 0.00 H new ATOM 0 HE1 MET A 1 20.200 -3.492 -8.233 1.00 0.00 H new ATOM 0 HE2 MET A 1 19.735 -1.775 -8.162 1.00 0.00 H new ATOM 0 HE3 MET A 1 21.278 -2.310 -7.453 1.00 0.00 H new ATOM 18 N GLY A 2 17.316 -0.887 -1.886 1.00 0.00 N ATOM 19 CA GLY A 2 16.610 -0.949 -0.573 1.00 0.00 C ATOM 20 C GLY A 2 17.474 -0.283 0.500 1.00 0.00 C ATOM 21 O GLY A 2 18.687 -0.324 0.447 1.00 0.00 O ATOM 0 H GLY A 2 18.332 -0.825 -1.829 1.00 0.00 H new ATOM 0 HA2 GLY A 2 15.645 -0.447 -0.642 1.00 0.00 H new ATOM 0 HA3 GLY A 2 16.411 -1.986 -0.303 1.00 0.00 H new ATOM 25 N ASP A 3 16.861 0.332 1.477 1.00 0.00 N ATOM 26 CA ASP A 3 17.652 0.997 2.553 1.00 0.00 C ATOM 27 C ASP A 3 18.021 -0.033 3.623 1.00 0.00 C ATOM 28 O ASP A 3 18.618 -1.051 3.335 1.00 0.00 O ATOM 29 CB ASP A 3 16.820 2.117 3.183 1.00 0.00 C ATOM 30 CG ASP A 3 17.730 3.029 4.009 1.00 0.00 C ATOM 31 OD1 ASP A 3 18.418 3.842 3.414 1.00 0.00 O ATOM 32 OD2 ASP A 3 17.723 2.897 5.221 1.00 0.00 O ATOM 0 H ASP A 3 15.848 0.402 1.576 1.00 0.00 H new ATOM 0 HA ASP A 3 18.562 1.420 2.127 1.00 0.00 H new ATOM 0 HB2 ASP A 3 16.319 2.694 2.405 1.00 0.00 H new ATOM 0 HB3 ASP A 3 16.041 1.693 3.817 1.00 0.00 H new ATOM 37 N SER A 4 17.671 0.221 4.855 1.00 0.00 N ATOM 38 CA SER A 4 18.008 -0.749 5.935 1.00 0.00 C ATOM 39 C SER A 4 17.116 -0.495 7.154 1.00 0.00 C ATOM 40 O SER A 4 17.559 -0.568 8.282 1.00 0.00 O ATOM 41 CB SER A 4 19.473 -0.579 6.335 1.00 0.00 C ATOM 42 OG SER A 4 19.664 0.721 6.877 1.00 0.00 O ATOM 0 H SER A 4 17.168 1.055 5.159 1.00 0.00 H new ATOM 0 HA SER A 4 17.844 -1.763 5.571 1.00 0.00 H new ATOM 0 HB2 SER A 4 19.752 -1.336 7.068 1.00 0.00 H new ATOM 0 HB3 SER A 4 20.118 -0.722 5.468 1.00 0.00 H new ATOM 0 HG SER A 4 20.603 0.833 7.136 1.00 0.00 H new ATOM 48 N ARG A 5 15.863 -0.200 6.936 1.00 0.00 N ATOM 49 CA ARG A 5 14.948 0.055 8.085 1.00 0.00 C ATOM 50 C ARG A 5 13.519 0.243 7.567 1.00 0.00 C ATOM 51 O ARG A 5 12.829 -0.709 7.259 1.00 0.00 O ATOM 52 CB ARG A 5 15.396 1.320 8.826 1.00 0.00 C ATOM 53 CG ARG A 5 15.918 2.349 7.818 1.00 0.00 C ATOM 54 CD ARG A 5 15.959 3.731 8.474 1.00 0.00 C ATOM 55 NE ARG A 5 16.839 4.633 7.677 1.00 0.00 N ATOM 56 CZ ARG A 5 16.454 5.048 6.502 1.00 0.00 C ATOM 57 NH1 ARG A 5 17.223 5.839 5.805 1.00 0.00 N ATOM 58 NH2 ARG A 5 15.300 4.672 6.022 1.00 0.00 N ATOM 0 H ARG A 5 15.434 -0.125 6.014 1.00 0.00 H new ATOM 0 HA ARG A 5 14.978 -0.794 8.768 1.00 0.00 H new ATOM 0 HB2 ARG A 5 14.562 1.738 9.389 1.00 0.00 H new ATOM 0 HB3 ARG A 5 16.176 1.074 9.547 1.00 0.00 H new ATOM 0 HG2 ARG A 5 16.914 2.067 7.477 1.00 0.00 H new ATOM 0 HG3 ARG A 5 15.274 2.371 6.939 1.00 0.00 H new ATOM 0 HD2 ARG A 5 14.953 4.147 8.534 1.00 0.00 H new ATOM 0 HD3 ARG A 5 16.332 3.650 9.495 1.00 0.00 H new ATOM 0 HE ARG A 5 17.742 4.925 8.051 1.00 0.00 H new ATOM 0 HH11 ARG A 5 18.125 6.133 6.179 1.00 0.00 H new ATOM 0 HH12 ARG A 5 16.922 6.163 4.886 1.00 0.00 H new ATOM 0 HH21 ARG A 5 14.699 4.053 6.566 1.00 0.00 H new ATOM 0 HH22 ARG A 5 15.000 4.997 5.103 1.00 0.00 H new ATOM 72 N ASP A 6 13.069 1.466 7.470 1.00 0.00 N ATOM 73 CA ASP A 6 11.687 1.721 6.972 1.00 0.00 C ATOM 74 C ASP A 6 11.422 0.853 5.738 1.00 0.00 C ATOM 75 O ASP A 6 10.307 0.449 5.479 1.00 0.00 O ATOM 76 CB ASP A 6 11.554 3.206 6.600 1.00 0.00 C ATOM 77 CG ASP A 6 10.264 3.782 7.192 1.00 0.00 C ATOM 78 OD1 ASP A 6 9.302 3.041 7.298 1.00 0.00 O ATOM 79 OD2 ASP A 6 10.263 4.954 7.529 1.00 0.00 O ATOM 0 H ASP A 6 13.601 2.301 7.715 1.00 0.00 H new ATOM 0 HA ASP A 6 10.962 1.473 7.747 1.00 0.00 H new ATOM 0 HB2 ASP A 6 12.415 3.761 6.973 1.00 0.00 H new ATOM 0 HB3 ASP A 6 11.548 3.318 5.516 1.00 0.00 H new ATOM 84 N LEU A 7 12.439 0.569 4.974 1.00 0.00 N ATOM 85 CA LEU A 7 12.250 -0.266 3.756 1.00 0.00 C ATOM 86 C LEU A 7 11.838 -1.688 4.160 1.00 0.00 C ATOM 87 O LEU A 7 12.036 -2.106 5.283 1.00 0.00 O ATOM 88 CB LEU A 7 13.562 -0.269 2.934 1.00 0.00 C ATOM 89 CG LEU A 7 14.449 -1.503 3.225 1.00 0.00 C ATOM 90 CD1 LEU A 7 14.592 -1.743 4.739 1.00 0.00 C ATOM 91 CD2 LEU A 7 13.871 -2.757 2.540 1.00 0.00 C ATOM 0 H LEU A 7 13.396 0.880 5.141 1.00 0.00 H new ATOM 0 HA LEU A 7 11.455 0.148 3.136 1.00 0.00 H new ATOM 0 HB2 LEU A 7 13.320 -0.244 1.872 1.00 0.00 H new ATOM 0 HB3 LEU A 7 14.125 0.638 3.154 1.00 0.00 H new ATOM 0 HG LEU A 7 15.440 -1.304 2.818 1.00 0.00 H new ATOM 0 HD11 LEU A 7 15.221 -2.617 4.911 1.00 0.00 H new ATOM 0 HD12 LEU A 7 15.049 -0.870 5.204 1.00 0.00 H new ATOM 0 HD13 LEU A 7 13.608 -1.913 5.175 1.00 0.00 H new ATOM 0 HD21 LEU A 7 14.508 -3.615 2.755 1.00 0.00 H new ATOM 0 HD22 LEU A 7 12.866 -2.947 2.917 1.00 0.00 H new ATOM 0 HD23 LEU A 7 13.830 -2.597 1.463 1.00 0.00 H new ATOM 103 N CYS A 8 11.264 -2.430 3.248 1.00 0.00 N ATOM 104 CA CYS A 8 10.837 -3.829 3.561 1.00 0.00 C ATOM 105 C CYS A 8 11.385 -4.763 2.474 1.00 0.00 C ATOM 106 O CYS A 8 11.709 -4.336 1.385 1.00 0.00 O ATOM 107 CB CYS A 8 9.296 -3.915 3.614 1.00 0.00 C ATOM 108 SG CYS A 8 8.694 -5.195 2.466 1.00 0.00 S ATOM 0 H CYS A 8 11.071 -2.126 2.294 1.00 0.00 H new ATOM 0 HA CYS A 8 11.228 -4.127 4.534 1.00 0.00 H new ATOM 0 HB2 CYS A 8 8.973 -4.146 4.629 1.00 0.00 H new ATOM 0 HB3 CYS A 8 8.862 -2.950 3.353 1.00 0.00 H new ATOM 113 N PRO A 9 11.493 -6.027 2.772 1.00 0.00 N ATOM 114 CA PRO A 9 12.016 -7.052 1.814 1.00 0.00 C ATOM 115 C PRO A 9 11.213 -7.076 0.511 1.00 0.00 C ATOM 116 O PRO A 9 11.749 -6.952 -0.572 1.00 0.00 O ATOM 117 CB PRO A 9 11.830 -8.379 2.572 1.00 0.00 C ATOM 118 CG PRO A 9 10.829 -8.071 3.635 1.00 0.00 C ATOM 119 CD PRO A 9 11.118 -6.638 4.049 1.00 0.00 C ATOM 0 HA PRO A 9 13.047 -6.852 1.523 1.00 0.00 H new ATOM 0 HB2 PRO A 9 11.474 -9.167 1.909 1.00 0.00 H new ATOM 0 HB3 PRO A 9 12.770 -8.725 3.002 1.00 0.00 H new ATOM 0 HG2 PRO A 9 9.811 -8.175 3.260 1.00 0.00 H new ATOM 0 HG3 PRO A 9 10.929 -8.753 4.480 1.00 0.00 H new ATOM 0 HD2 PRO A 9 10.246 -6.157 4.492 1.00 0.00 H new ATOM 0 HD3 PRO A 9 11.922 -6.579 4.782 1.00 0.00 H new ATOM 127 N HIS A 10 9.928 -7.241 0.626 1.00 0.00 N ATOM 128 CA HIS A 10 9.057 -7.285 -0.588 1.00 0.00 C ATOM 129 C HIS A 10 8.876 -5.872 -1.140 1.00 0.00 C ATOM 130 O HIS A 10 8.188 -5.658 -2.117 1.00 0.00 O ATOM 131 CB HIS A 10 7.689 -7.884 -0.219 1.00 0.00 C ATOM 132 CG HIS A 10 7.884 -8.963 0.806 1.00 0.00 C ATOM 133 ND1 HIS A 10 7.913 -8.702 2.175 1.00 0.00 N ATOM 134 CD2 HIS A 10 8.065 -10.319 0.677 1.00 0.00 C ATOM 135 CE1 HIS A 10 8.107 -9.883 2.798 1.00 0.00 C ATOM 136 NE2 HIS A 10 8.206 -10.891 1.932 1.00 0.00 N ATOM 0 H HIS A 10 9.436 -7.348 1.513 1.00 0.00 H new ATOM 0 HA HIS A 10 9.526 -7.908 -1.350 1.00 0.00 H new ATOM 0 HB2 HIS A 10 7.032 -7.107 0.173 1.00 0.00 H new ATOM 0 HB3 HIS A 10 7.206 -8.292 -1.107 1.00 0.00 H new ATOM 0 HD2 HIS A 10 8.093 -10.857 -0.259 1.00 0.00 H new ATOM 0 HE1 HIS A 10 8.174 -9.998 3.870 1.00 0.00 H new ATOM 0 HE2 HIS A 10 8.354 -11.877 2.147 1.00 0.00 H new ATOM 144 N LEU A 11 9.495 -4.909 -0.522 1.00 0.00 N ATOM 145 CA LEU A 11 9.372 -3.507 -1.005 1.00 0.00 C ATOM 146 C LEU A 11 10.041 -3.381 -2.376 1.00 0.00 C ATOM 147 O LEU A 11 9.528 -2.747 -3.275 1.00 0.00 O ATOM 148 CB LEU A 11 10.059 -2.578 -0.002 1.00 0.00 C ATOM 149 CG LEU A 11 9.726 -1.113 -0.320 1.00 0.00 C ATOM 150 CD1 LEU A 11 10.114 -0.233 0.870 1.00 0.00 C ATOM 151 CD2 LEU A 11 10.495 -0.646 -1.568 1.00 0.00 C ATOM 0 H LEU A 11 10.084 -5.032 0.301 1.00 0.00 H new ATOM 0 HA LEU A 11 8.321 -3.233 -1.097 1.00 0.00 H new ATOM 0 HB2 LEU A 11 9.735 -2.821 1.010 1.00 0.00 H new ATOM 0 HB3 LEU A 11 11.138 -2.729 -0.036 1.00 0.00 H new ATOM 0 HG LEU A 11 8.656 -1.030 -0.511 1.00 0.00 H new ATOM 0 HD11 LEU A 11 9.878 0.807 0.645 1.00 0.00 H new ATOM 0 HD12 LEU A 11 9.558 -0.549 1.753 1.00 0.00 H new ATOM 0 HD13 LEU A 11 11.183 -0.330 1.061 1.00 0.00 H new ATOM 0 HD21 LEU A 11 10.248 0.394 -1.780 1.00 0.00 H new ATOM 0 HD22 LEU A 11 11.567 -0.735 -1.390 1.00 0.00 H new ATOM 0 HD23 LEU A 11 10.216 -1.266 -2.420 1.00 0.00 H new ATOM 163 N ASP A 12 11.182 -3.983 -2.545 1.00 0.00 N ATOM 164 CA ASP A 12 11.885 -3.897 -3.856 1.00 0.00 C ATOM 165 C ASP A 12 11.187 -4.799 -4.878 1.00 0.00 C ATOM 166 O ASP A 12 11.349 -4.640 -6.072 1.00 0.00 O ATOM 167 CB ASP A 12 13.329 -4.361 -3.678 1.00 0.00 C ATOM 168 CG ASP A 12 14.023 -4.416 -5.041 1.00 0.00 C ATOM 169 OD1 ASP A 12 14.775 -5.351 -5.264 1.00 0.00 O ATOM 170 OD2 ASP A 12 13.792 -3.522 -5.838 1.00 0.00 O ATOM 0 H ASP A 12 11.661 -4.533 -1.831 1.00 0.00 H new ATOM 0 HA ASP A 12 11.866 -2.867 -4.212 1.00 0.00 H new ATOM 0 HB2 ASP A 12 13.861 -3.679 -3.015 1.00 0.00 H new ATOM 0 HB3 ASP A 12 13.350 -5.344 -3.208 1.00 0.00 H new ATOM 175 N SER A 13 10.422 -5.750 -4.421 1.00 0.00 N ATOM 176 CA SER A 13 9.726 -6.670 -5.368 1.00 0.00 C ATOM 177 C SER A 13 8.480 -5.990 -5.947 1.00 0.00 C ATOM 178 O SER A 13 7.991 -6.367 -6.993 1.00 0.00 O ATOM 179 CB SER A 13 9.311 -7.939 -4.625 1.00 0.00 C ATOM 180 OG SER A 13 8.962 -8.942 -5.571 1.00 0.00 O ATOM 0 H SER A 13 10.247 -5.932 -3.433 1.00 0.00 H new ATOM 0 HA SER A 13 10.404 -6.922 -6.183 1.00 0.00 H new ATOM 0 HB2 SER A 13 10.127 -8.287 -3.992 1.00 0.00 H new ATOM 0 HB3 SER A 13 8.466 -7.731 -3.969 1.00 0.00 H new ATOM 0 HG SER A 13 8.696 -9.759 -5.099 1.00 0.00 H new ATOM 186 N ILE A 14 7.957 -5.001 -5.276 1.00 0.00 N ATOM 187 CA ILE A 14 6.736 -4.313 -5.794 1.00 0.00 C ATOM 188 C ILE A 14 7.135 -3.137 -6.692 1.00 0.00 C ATOM 189 O ILE A 14 6.305 -2.535 -7.342 1.00 0.00 O ATOM 190 CB ILE A 14 5.924 -3.789 -4.616 1.00 0.00 C ATOM 191 CG1 ILE A 14 6.824 -2.947 -3.708 1.00 0.00 C ATOM 192 CG2 ILE A 14 5.363 -4.973 -3.822 1.00 0.00 C ATOM 193 CD1 ILE A 14 5.966 -1.992 -2.874 1.00 0.00 C ATOM 0 H ILE A 14 8.319 -4.639 -4.394 1.00 0.00 H new ATOM 0 HA ILE A 14 6.144 -5.021 -6.374 1.00 0.00 H new ATOM 0 HB ILE A 14 5.104 -3.173 -4.984 1.00 0.00 H new ATOM 0 HG12 ILE A 14 7.405 -3.596 -3.053 1.00 0.00 H new ATOM 0 HG13 ILE A 14 7.536 -2.381 -4.309 1.00 0.00 H new ATOM 0 HG21 ILE A 14 4.781 -4.602 -2.978 1.00 0.00 H new ATOM 0 HG22 ILE A 14 4.723 -5.574 -4.468 1.00 0.00 H new ATOM 0 HG23 ILE A 14 6.185 -5.587 -3.454 1.00 0.00 H new ATOM 0 HD11 ILE A 14 6.610 -1.394 -2.229 1.00 0.00 H new ATOM 0 HD12 ILE A 14 5.405 -1.334 -3.537 1.00 0.00 H new ATOM 0 HD13 ILE A 14 5.272 -2.567 -2.261 1.00 0.00 H new ATOM 205 N GLY A 15 8.395 -2.797 -6.730 1.00 0.00 N ATOM 206 CA GLY A 15 8.833 -1.656 -7.587 1.00 0.00 C ATOM 207 C GLY A 15 8.020 -0.406 -7.237 1.00 0.00 C ATOM 208 O GLY A 15 7.332 -0.364 -6.236 1.00 0.00 O ATOM 0 H GLY A 15 9.139 -3.258 -6.206 1.00 0.00 H new ATOM 0 HA2 GLY A 15 9.896 -1.464 -7.438 1.00 0.00 H new ATOM 0 HA3 GLY A 15 8.698 -1.906 -8.639 1.00 0.00 H new ATOM 212 N GLU A 16 8.093 0.614 -8.057 1.00 0.00 N ATOM 213 CA GLU A 16 7.327 1.867 -7.778 1.00 0.00 C ATOM 214 C GLU A 16 6.242 2.051 -8.841 1.00 0.00 C ATOM 215 O GLU A 16 6.502 2.515 -9.933 1.00 0.00 O ATOM 216 CB GLU A 16 8.286 3.068 -7.809 1.00 0.00 C ATOM 217 CG GLU A 16 7.498 4.389 -7.796 1.00 0.00 C ATOM 218 CD GLU A 16 6.327 4.293 -6.812 1.00 0.00 C ATOM 219 OE1 GLU A 16 6.553 3.861 -5.694 1.00 0.00 O ATOM 220 OE2 GLU A 16 5.227 4.653 -7.196 1.00 0.00 O ATOM 0 H GLU A 16 8.652 0.632 -8.910 1.00 0.00 H new ATOM 0 HA GLU A 16 6.861 1.798 -6.795 1.00 0.00 H new ATOM 0 HB2 GLU A 16 8.955 3.029 -6.949 1.00 0.00 H new ATOM 0 HB3 GLU A 16 8.910 3.019 -8.701 1.00 0.00 H new ATOM 0 HG2 GLU A 16 8.155 5.211 -7.512 1.00 0.00 H new ATOM 0 HG3 GLU A 16 7.126 4.609 -8.796 1.00 0.00 H new ATOM 227 N VAL A 17 5.025 1.695 -8.528 1.00 0.00 N ATOM 228 CA VAL A 17 3.925 1.857 -9.519 1.00 0.00 C ATOM 229 C VAL A 17 3.744 3.345 -9.823 1.00 0.00 C ATOM 230 O VAL A 17 4.540 4.168 -9.414 1.00 0.00 O ATOM 231 CB VAL A 17 2.627 1.289 -8.941 1.00 0.00 C ATOM 232 CG1 VAL A 17 2.800 -0.207 -8.674 1.00 0.00 C ATOM 233 CG2 VAL A 17 2.298 2.006 -7.629 1.00 0.00 C ATOM 0 H VAL A 17 4.746 1.300 -7.630 1.00 0.00 H new ATOM 0 HA VAL A 17 4.173 1.322 -10.436 1.00 0.00 H new ATOM 0 HB VAL A 17 1.815 1.440 -9.652 1.00 0.00 H new ATOM 0 HG11 VAL A 17 1.876 -0.612 -8.262 1.00 0.00 H new ATOM 0 HG12 VAL A 17 3.036 -0.718 -9.607 1.00 0.00 H new ATOM 0 HG13 VAL A 17 3.611 -0.358 -7.962 1.00 0.00 H new ATOM 0 HG21 VAL A 17 1.374 1.603 -7.216 1.00 0.00 H new ATOM 0 HG22 VAL A 17 3.110 1.854 -6.918 1.00 0.00 H new ATOM 0 HG23 VAL A 17 2.176 3.073 -7.818 1.00 0.00 H new ATOM 243 N THR A 18 2.711 3.706 -10.534 1.00 0.00 N ATOM 244 CA THR A 18 2.506 5.146 -10.847 1.00 0.00 C ATOM 245 C THR A 18 2.203 5.896 -9.552 1.00 0.00 C ATOM 246 O THR A 18 1.347 5.514 -8.782 1.00 0.00 O ATOM 247 CB THR A 18 1.328 5.292 -11.826 1.00 0.00 C ATOM 248 OG1 THR A 18 0.695 4.031 -11.990 1.00 0.00 O ATOM 249 CG2 THR A 18 1.837 5.783 -13.184 1.00 0.00 C ATOM 0 H THR A 18 2.006 3.071 -10.909 1.00 0.00 H new ATOM 0 HA THR A 18 3.404 5.561 -11.306 1.00 0.00 H new ATOM 0 HB THR A 18 0.616 6.014 -11.427 1.00 0.00 H new ATOM 0 HG1 THR A 18 -0.057 4.121 -12.612 1.00 0.00 H new ATOM 0 HG21 THR A 18 0.998 5.884 -13.872 1.00 0.00 H new ATOM 0 HG22 THR A 18 2.325 6.750 -13.062 1.00 0.00 H new ATOM 0 HG23 THR A 18 2.551 5.065 -13.586 1.00 0.00 H new ATOM 257 N LYS A 19 2.886 6.978 -9.318 1.00 0.00 N ATOM 258 CA LYS A 19 2.621 7.770 -8.089 1.00 0.00 C ATOM 259 C LYS A 19 1.147 8.148 -8.101 1.00 0.00 C ATOM 260 O LYS A 19 0.393 7.792 -7.219 1.00 0.00 O ATOM 261 CB LYS A 19 3.484 9.035 -8.098 1.00 0.00 C ATOM 262 CG LYS A 19 3.682 9.526 -9.546 1.00 0.00 C ATOM 263 CD LYS A 19 5.181 9.579 -9.879 1.00 0.00 C ATOM 264 CE LYS A 19 5.734 8.152 -10.015 1.00 0.00 C ATOM 265 NZ LYS A 19 5.606 7.704 -11.430 1.00 0.00 N ATOM 0 H LYS A 19 3.617 7.349 -9.925 1.00 0.00 H new ATOM 0 HA LYS A 19 2.862 7.194 -7.195 1.00 0.00 H new ATOM 0 HB2 LYS A 19 3.008 9.814 -7.503 1.00 0.00 H new ATOM 0 HB3 LYS A 19 4.451 8.829 -7.639 1.00 0.00 H new ATOM 0 HG2 LYS A 19 3.170 8.858 -10.239 1.00 0.00 H new ATOM 0 HG3 LYS A 19 3.238 10.514 -9.668 1.00 0.00 H new ATOM 0 HD2 LYS A 19 5.338 10.130 -10.807 1.00 0.00 H new ATOM 0 HD3 LYS A 19 5.718 10.114 -9.096 1.00 0.00 H new ATOM 0 HE2 LYS A 19 6.779 8.124 -9.706 1.00 0.00 H new ATOM 0 HE3 LYS A 19 5.189 7.475 -9.357 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 5.980 6.738 -11.524 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 4.604 7.716 -11.709 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 6.144 8.345 -12.047 1.00 0.00 H new ATOM 279 N GLU A 20 0.731 8.847 -9.120 1.00 0.00 N ATOM 280 CA GLU A 20 -0.694 9.228 -9.236 1.00 0.00 C ATOM 281 C GLU A 20 -1.543 8.023 -8.848 1.00 0.00 C ATOM 282 O GLU A 20 -2.547 8.143 -8.185 1.00 0.00 O ATOM 283 CB GLU A 20 -0.983 9.640 -10.676 1.00 0.00 C ATOM 284 CG GLU A 20 -2.493 9.655 -10.933 1.00 0.00 C ATOM 285 CD GLU A 20 -2.755 9.869 -12.425 1.00 0.00 C ATOM 286 OE1 GLU A 20 -1.956 10.540 -13.056 1.00 0.00 O ATOM 287 OE2 GLU A 20 -3.750 9.356 -12.912 1.00 0.00 O ATOM 0 H GLU A 20 1.327 9.171 -9.882 1.00 0.00 H new ATOM 0 HA GLU A 20 -0.927 10.065 -8.578 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -0.565 10.628 -10.870 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -0.497 8.948 -11.364 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -2.938 8.715 -10.606 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -2.963 10.449 -10.353 1.00 0.00 H new ATOM 294 N ASP A 21 -1.129 6.853 -9.241 1.00 0.00 N ATOM 295 CA ASP A 21 -1.910 5.640 -8.868 1.00 0.00 C ATOM 296 C ASP A 21 -2.167 5.694 -7.366 1.00 0.00 C ATOM 297 O ASP A 21 -3.251 5.420 -6.896 1.00 0.00 O ATOM 298 CB ASP A 21 -1.119 4.374 -9.221 1.00 0.00 C ATOM 299 CG ASP A 21 -2.081 3.196 -9.381 1.00 0.00 C ATOM 300 OD1 ASP A 21 -2.936 3.032 -8.526 1.00 0.00 O ATOM 301 OD2 ASP A 21 -1.947 2.475 -10.357 1.00 0.00 O ATOM 0 H ASP A 21 -0.292 6.683 -9.799 1.00 0.00 H new ATOM 0 HA ASP A 21 -2.853 5.614 -9.414 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -0.560 4.528 -10.144 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -0.391 4.158 -8.439 1.00 0.00 H new ATOM 306 N LEU A 22 -1.177 6.080 -6.613 1.00 0.00 N ATOM 307 CA LEU A 22 -1.359 6.189 -5.142 1.00 0.00 C ATOM 308 C LEU A 22 -2.234 7.401 -4.861 1.00 0.00 C ATOM 309 O LEU A 22 -2.856 7.518 -3.824 1.00 0.00 O ATOM 310 CB LEU A 22 0.003 6.353 -4.460 1.00 0.00 C ATOM 311 CG LEU A 22 1.048 5.497 -5.181 1.00 0.00 C ATOM 312 CD1 LEU A 22 2.372 5.561 -4.419 1.00 0.00 C ATOM 313 CD2 LEU A 22 0.568 4.045 -5.244 1.00 0.00 C ATOM 0 H LEU A 22 -0.248 6.325 -6.954 1.00 0.00 H new ATOM 0 HA LEU A 22 -1.832 5.288 -4.752 1.00 0.00 H new ATOM 0 HB2 LEU A 22 0.304 7.401 -4.475 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -0.065 6.056 -3.414 1.00 0.00 H new ATOM 0 HG LEU A 22 1.190 5.876 -6.193 1.00 0.00 H new ATOM 0 HD11 LEU A 22 3.117 4.952 -4.932 1.00 0.00 H new ATOM 0 HD12 LEU A 22 2.717 6.594 -4.374 1.00 0.00 H new ATOM 0 HD13 LEU A 22 2.228 5.183 -3.407 1.00 0.00 H new ATOM 0 HD21 LEU A 22 1.313 3.437 -5.758 1.00 0.00 H new ATOM 0 HD22 LEU A 22 0.424 3.665 -4.233 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -0.376 3.997 -5.787 1.00 0.00 H new ATOM 325 N LEU A 23 -2.285 8.302 -5.794 1.00 0.00 N ATOM 326 CA LEU A 23 -3.113 9.520 -5.626 1.00 0.00 C ATOM 327 C LEU A 23 -4.573 9.176 -5.931 1.00 0.00 C ATOM 328 O LEU A 23 -5.442 9.389 -5.108 1.00 0.00 O ATOM 329 CB LEU A 23 -2.580 10.593 -6.584 1.00 0.00 C ATOM 330 CG LEU A 23 -1.078 10.805 -6.320 1.00 0.00 C ATOM 331 CD1 LEU A 23 -0.582 12.029 -7.108 1.00 0.00 C ATOM 332 CD2 LEU A 23 -0.835 11.042 -4.822 1.00 0.00 C ATOM 0 H LEU A 23 -1.781 8.245 -6.679 1.00 0.00 H new ATOM 0 HA LEU A 23 -3.061 9.898 -4.605 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -2.740 10.287 -7.618 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -3.122 11.528 -6.441 1.00 0.00 H new ATOM 0 HG LEU A 23 -0.536 9.915 -6.639 1.00 0.00 H new ATOM 0 HD11 LEU A 23 0.481 12.177 -6.919 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -0.742 11.865 -8.174 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -1.133 12.914 -6.790 1.00 0.00 H new ATOM 0 HD21 LEU A 23 0.230 11.191 -4.645 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -1.383 11.927 -4.500 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -1.179 10.176 -4.256 1.00 0.00 H new ATOM 344 N LEU A 24 -4.868 8.614 -7.077 1.00 0.00 N ATOM 345 CA LEU A 24 -6.284 8.249 -7.339 1.00 0.00 C ATOM 346 C LEU A 24 -6.696 7.237 -6.289 1.00 0.00 C ATOM 347 O LEU A 24 -7.756 7.336 -5.725 1.00 0.00 O ATOM 348 CB LEU A 24 -6.478 7.657 -8.740 1.00 0.00 C ATOM 349 CG LEU A 24 -5.683 6.352 -8.911 1.00 0.00 C ATOM 350 CD1 LEU A 24 -6.591 5.144 -8.650 1.00 0.00 C ATOM 351 CD2 LEU A 24 -5.160 6.266 -10.349 1.00 0.00 C ATOM 0 H LEU A 24 -4.205 8.399 -7.822 1.00 0.00 H new ATOM 0 HA LEU A 24 -6.900 9.147 -7.290 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -7.537 7.465 -8.912 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -6.159 8.381 -9.490 1.00 0.00 H new ATOM 0 HG LEU A 24 -4.855 6.347 -8.202 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -6.018 4.225 -8.774 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -6.981 5.195 -7.633 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -7.420 5.153 -9.357 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -4.595 5.342 -10.476 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -6.000 6.276 -11.043 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -4.512 7.118 -10.552 1.00 0.00 H new ATOM 363 N LYS A 25 -5.857 6.275 -5.990 1.00 0.00 N ATOM 364 CA LYS A 25 -6.228 5.291 -4.938 1.00 0.00 C ATOM 365 C LYS A 25 -6.734 6.085 -3.734 1.00 0.00 C ATOM 366 O LYS A 25 -7.749 5.773 -3.143 1.00 0.00 O ATOM 367 CB LYS A 25 -4.999 4.457 -4.556 1.00 0.00 C ATOM 368 CG LYS A 25 -4.755 3.387 -5.629 1.00 0.00 C ATOM 369 CD LYS A 25 -3.341 2.812 -5.486 1.00 0.00 C ATOM 370 CE LYS A 25 -3.251 1.471 -6.228 1.00 0.00 C ATOM 371 NZ LYS A 25 -4.279 1.424 -7.307 1.00 0.00 N ATOM 0 H LYS A 25 -4.945 6.133 -6.424 1.00 0.00 H new ATOM 0 HA LYS A 25 -7.000 4.608 -5.292 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -4.124 5.100 -4.463 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -5.153 3.986 -3.585 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -5.492 2.590 -5.533 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -4.881 3.820 -6.621 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -2.610 3.512 -5.891 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -3.099 2.673 -4.432 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -2.256 1.347 -6.655 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -3.404 0.647 -5.531 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -4.050 0.657 -7.971 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -5.215 1.251 -6.888 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -4.290 2.331 -7.816 1.00 0.00 H new ATOM 385 N SER A 26 -6.040 7.139 -3.400 1.00 0.00 N ATOM 386 CA SER A 26 -6.465 8.009 -2.272 1.00 0.00 C ATOM 387 C SER A 26 -7.744 8.751 -2.680 1.00 0.00 C ATOM 388 O SER A 26 -8.160 9.691 -2.033 1.00 0.00 O ATOM 389 CB SER A 26 -5.356 9.034 -1.995 1.00 0.00 C ATOM 390 OG SER A 26 -5.482 9.517 -0.664 1.00 0.00 O ATOM 0 H SER A 26 -5.185 7.436 -3.869 1.00 0.00 H new ATOM 0 HA SER A 26 -6.649 7.411 -1.380 1.00 0.00 H new ATOM 0 HB2 SER A 26 -4.378 8.575 -2.136 1.00 0.00 H new ATOM 0 HB3 SER A 26 -5.425 9.861 -2.702 1.00 0.00 H new ATOM 0 HG SER A 26 -6.411 9.780 -0.498 1.00 0.00 H new ATOM 396 N LYS A 27 -8.352 8.359 -3.773 1.00 0.00 N ATOM 397 CA LYS A 27 -9.576 9.071 -4.241 1.00 0.00 C ATOM 398 C LYS A 27 -10.564 9.254 -3.085 1.00 0.00 C ATOM 399 O LYS A 27 -11.037 10.348 -2.851 1.00 0.00 O ATOM 400 CB LYS A 27 -10.244 8.308 -5.399 1.00 0.00 C ATOM 401 CG LYS A 27 -10.164 6.788 -5.180 1.00 0.00 C ATOM 402 CD LYS A 27 -11.456 6.128 -5.667 1.00 0.00 C ATOM 403 CE LYS A 27 -11.572 6.312 -7.182 1.00 0.00 C ATOM 404 NZ LYS A 27 -12.811 5.646 -7.673 1.00 0.00 N ATOM 0 H LYS A 27 -8.053 7.579 -4.358 1.00 0.00 H new ATOM 0 HA LYS A 27 -9.278 10.054 -4.605 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -11.287 8.612 -5.485 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -9.758 8.569 -6.339 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -9.309 6.378 -5.718 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -10.009 6.571 -4.123 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -11.454 5.067 -5.416 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -12.317 6.572 -5.167 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -11.595 7.373 -7.429 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -10.699 5.889 -7.678 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -12.888 5.772 -8.702 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -12.771 4.631 -7.450 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -13.640 6.070 -7.209 1.00 0.00 H new ATOM 418 N GLY A 28 -10.879 8.219 -2.343 1.00 0.00 N ATOM 419 CA GLY A 28 -11.824 8.405 -1.208 1.00 0.00 C ATOM 420 C GLY A 28 -12.781 7.223 -1.097 1.00 0.00 C ATOM 421 O GLY A 28 -13.731 7.270 -0.347 1.00 0.00 O ATOM 0 H GLY A 28 -10.527 7.271 -2.474 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -11.265 8.514 -0.279 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -12.391 9.325 -1.349 1.00 0.00 H new ATOM 425 N THR A 29 -12.560 6.167 -1.831 1.00 0.00 N ATOM 426 CA THR A 29 -13.496 5.009 -1.736 1.00 0.00 C ATOM 427 C THR A 29 -12.810 3.705 -2.152 1.00 0.00 C ATOM 428 O THR A 29 -12.041 3.664 -3.093 1.00 0.00 O ATOM 429 CB THR A 29 -14.686 5.228 -2.675 1.00 0.00 C ATOM 430 OG1 THR A 29 -14.347 4.768 -3.976 1.00 0.00 O ATOM 431 CG2 THR A 29 -15.067 6.710 -2.746 1.00 0.00 C ATOM 0 H THR A 29 -11.784 6.055 -2.484 1.00 0.00 H new ATOM 0 HA THR A 29 -13.822 4.935 -0.699 1.00 0.00 H new ATOM 0 HB THR A 29 -15.539 4.671 -2.287 1.00 0.00 H new ATOM 0 HG1 THR A 29 -15.107 4.905 -4.580 1.00 0.00 H new ATOM 0 HG21 THR A 29 -15.915 6.836 -3.420 1.00 0.00 H new ATOM 0 HG22 THR A 29 -15.338 7.064 -1.751 1.00 0.00 H new ATOM 0 HG23 THR A 29 -14.220 7.286 -3.117 1.00 0.00 H new ATOM 439 N CYS A 30 -13.125 2.626 -1.480 1.00 0.00 N ATOM 440 CA CYS A 30 -12.538 1.307 -1.858 1.00 0.00 C ATOM 441 C CYS A 30 -13.020 0.973 -3.272 1.00 0.00 C ATOM 442 O CYS A 30 -14.197 1.030 -3.561 1.00 0.00 O ATOM 443 CB CYS A 30 -13.019 0.217 -0.884 1.00 0.00 C ATOM 444 SG CYS A 30 -12.545 -1.423 -1.506 1.00 0.00 S ATOM 0 H CYS A 30 -13.764 2.603 -0.685 1.00 0.00 H new ATOM 0 HA CYS A 30 -11.450 1.353 -1.818 1.00 0.00 H new ATOM 0 HB2 CYS A 30 -12.584 0.381 0.102 1.00 0.00 H new ATOM 0 HB3 CYS A 30 -14.101 0.273 -0.768 1.00 0.00 H new ATOM 449 N GLN A 31 -12.133 0.649 -4.164 1.00 0.00 N ATOM 450 CA GLN A 31 -12.581 0.340 -5.554 1.00 0.00 C ATOM 451 C GLN A 31 -13.377 -0.965 -5.562 1.00 0.00 C ATOM 452 O GLN A 31 -13.959 -1.339 -6.561 1.00 0.00 O ATOM 453 CB GLN A 31 -11.375 0.223 -6.491 1.00 0.00 C ATOM 454 CG GLN A 31 -10.488 -0.961 -6.084 1.00 0.00 C ATOM 455 CD GLN A 31 -11.085 -2.274 -6.603 1.00 0.00 C ATOM 456 OE1 GLN A 31 -10.845 -3.323 -6.041 1.00 0.00 O ATOM 457 NE2 GLN A 31 -11.852 -2.265 -7.660 1.00 0.00 N ATOM 0 H GLN A 31 -11.128 0.584 -3.999 1.00 0.00 H new ATOM 0 HA GLN A 31 -13.217 1.152 -5.907 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -11.717 0.092 -7.518 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -10.795 1.145 -6.463 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -9.483 -0.827 -6.485 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -10.396 -0.999 -4.999 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -12.056 -1.386 -8.135 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -12.247 -3.137 -8.011 1.00 0.00 H new ATOM 466 N SER A 32 -13.413 -1.657 -4.454 1.00 0.00 N ATOM 467 CA SER A 32 -14.180 -2.937 -4.390 1.00 0.00 C ATOM 468 C SER A 32 -15.365 -2.771 -3.435 1.00 0.00 C ATOM 469 O SER A 32 -16.350 -3.478 -3.526 1.00 0.00 O ATOM 470 CB SER A 32 -13.265 -4.049 -3.880 1.00 0.00 C ATOM 471 OG SER A 32 -13.953 -5.291 -3.948 1.00 0.00 O ATOM 0 H SER A 32 -12.944 -1.391 -3.588 1.00 0.00 H new ATOM 0 HA SER A 32 -14.547 -3.195 -5.383 1.00 0.00 H new ATOM 0 HB2 SER A 32 -12.355 -4.091 -4.479 1.00 0.00 H new ATOM 0 HB3 SER A 32 -12.961 -3.844 -2.853 1.00 0.00 H new ATOM 0 HG SER A 32 -13.309 -6.014 -4.097 1.00 0.00 H new ATOM 477 N CYS A 33 -15.275 -1.840 -2.522 1.00 0.00 N ATOM 478 CA CYS A 33 -16.391 -1.617 -1.553 1.00 0.00 C ATOM 479 C CYS A 33 -16.821 -0.152 -1.608 1.00 0.00 C ATOM 480 O CYS A 33 -17.893 0.207 -1.164 1.00 0.00 O ATOM 481 CB CYS A 33 -15.909 -1.945 -0.137 1.00 0.00 C ATOM 482 SG CYS A 33 -15.206 -3.606 -0.116 1.00 0.00 S ATOM 0 H CYS A 33 -14.473 -1.221 -2.404 1.00 0.00 H new ATOM 0 HA CYS A 33 -17.232 -2.259 -1.812 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -15.163 -1.218 0.183 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -16.739 -1.880 0.566 1.00 0.00 H new ATOM 487 N GLY A 34 -15.984 0.699 -2.136 1.00 0.00 N ATOM 488 CA GLY A 34 -16.336 2.143 -2.206 1.00 0.00 C ATOM 489 C GLY A 34 -16.876 2.579 -0.843 1.00 0.00 C ATOM 490 O GLY A 34 -18.011 2.993 -0.714 1.00 0.00 O ATOM 0 H GLY A 34 -15.072 0.455 -2.522 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -15.460 2.734 -2.473 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -17.083 2.313 -2.981 1.00 0.00 H new ATOM 494 N VAL A 35 -16.079 2.441 0.181 1.00 0.00 N ATOM 495 CA VAL A 35 -16.545 2.795 1.552 1.00 0.00 C ATOM 496 C VAL A 35 -16.137 4.220 1.950 1.00 0.00 C ATOM 497 O VAL A 35 -16.913 4.925 2.563 1.00 0.00 O ATOM 498 CB VAL A 35 -15.955 1.779 2.535 1.00 0.00 C ATOM 499 CG1 VAL A 35 -16.650 0.422 2.327 1.00 0.00 C ATOM 500 CG2 VAL A 35 -14.451 1.628 2.277 1.00 0.00 C ATOM 0 H VAL A 35 -15.120 2.097 0.127 1.00 0.00 H new ATOM 0 HA VAL A 35 -17.634 2.764 1.573 1.00 0.00 H new ATOM 0 HB VAL A 35 -16.111 2.122 3.558 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -16.237 -0.309 3.022 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -17.720 0.530 2.507 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -16.486 0.082 1.304 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -14.033 0.905 2.977 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -14.290 1.280 1.257 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -13.960 2.591 2.414 1.00 0.00 H new ATOM 510 N THR A 36 -14.949 4.665 1.621 1.00 0.00 N ATOM 511 CA THR A 36 -14.550 6.051 2.015 1.00 0.00 C ATOM 512 C THR A 36 -13.040 6.217 1.860 1.00 0.00 C ATOM 513 O THR A 36 -12.354 5.328 1.407 1.00 0.00 O ATOM 514 CB THR A 36 -14.933 6.319 3.480 1.00 0.00 C ATOM 515 OG1 THR A 36 -14.118 7.363 3.992 1.00 0.00 O ATOM 516 CG2 THR A 36 -14.722 5.052 4.322 1.00 0.00 C ATOM 0 H THR A 36 -14.247 4.136 1.104 1.00 0.00 H new ATOM 0 HA THR A 36 -15.070 6.759 1.369 1.00 0.00 H new ATOM 0 HB THR A 36 -15.983 6.608 3.528 1.00 0.00 H new ATOM 0 HG1 THR A 36 -14.360 7.539 4.925 1.00 0.00 H new ATOM 0 HG21 THR A 36 -14.996 5.253 5.358 1.00 0.00 H new ATOM 0 HG22 THR A 36 -15.345 4.248 3.931 1.00 0.00 H new ATOM 0 HG23 THR A 36 -13.674 4.755 4.276 1.00 0.00 H new ATOM 524 N GLY A 37 -12.526 7.361 2.228 1.00 0.00 N ATOM 525 CA GLY A 37 -11.062 7.613 2.100 1.00 0.00 C ATOM 526 C GLY A 37 -10.342 7.280 3.404 1.00 0.00 C ATOM 527 O GLY A 37 -9.545 6.367 3.465 1.00 0.00 O ATOM 0 H GLY A 37 -13.063 8.137 2.615 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -10.654 7.010 1.289 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -10.889 8.657 1.839 1.00 0.00 H new ATOM 531 N PRO A 38 -10.596 8.026 4.441 1.00 0.00 N ATOM 532 CA PRO A 38 -9.940 7.797 5.742 1.00 0.00 C ATOM 533 C PRO A 38 -9.883 6.315 6.103 1.00 0.00 C ATOM 534 O PRO A 38 -10.868 5.605 6.056 1.00 0.00 O ATOM 535 CB PRO A 38 -10.786 8.571 6.757 1.00 0.00 C ATOM 536 CG PRO A 38 -11.879 9.258 5.981 1.00 0.00 C ATOM 537 CD PRO A 38 -11.523 9.158 4.495 1.00 0.00 C ATOM 0 HA PRO A 38 -8.903 8.132 5.723 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -11.207 7.897 7.503 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -10.177 9.299 7.293 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -12.842 8.787 6.177 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -11.967 10.301 6.285 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -12.407 8.983 3.881 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -11.059 10.075 4.131 1.00 0.00 H new ATOM 545 N ASN A 39 -8.725 5.860 6.461 1.00 0.00 N ATOM 546 CA ASN A 39 -8.541 4.432 6.837 1.00 0.00 C ATOM 547 C ASN A 39 -8.638 3.543 5.593 1.00 0.00 C ATOM 548 O ASN A 39 -9.045 2.401 5.669 1.00 0.00 O ATOM 549 CB ASN A 39 -9.600 4.018 7.874 1.00 0.00 C ATOM 550 CG ASN A 39 -8.912 3.505 9.143 1.00 0.00 C ATOM 551 OD1 ASN A 39 -8.810 2.312 9.354 1.00 0.00 O ATOM 552 ND2 ASN A 39 -8.433 4.363 10.002 1.00 0.00 N ATOM 0 H ASN A 39 -7.878 6.425 6.511 1.00 0.00 H new ATOM 0 HA ASN A 39 -7.552 4.307 7.279 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -10.239 4.868 8.114 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -10.244 3.242 7.460 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -7.973 4.033 10.850 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -8.519 5.364 9.825 1.00 0.00 H new ATOM 559 N LEU A 40 -8.245 4.041 4.449 1.00 0.00 N ATOM 560 CA LEU A 40 -8.300 3.192 3.224 1.00 0.00 C ATOM 561 C LEU A 40 -7.021 2.356 3.161 1.00 0.00 C ATOM 562 O LEU A 40 -6.133 2.496 3.976 1.00 0.00 O ATOM 563 CB LEU A 40 -8.373 4.071 1.960 1.00 0.00 C ATOM 564 CG LEU A 40 -9.825 4.305 1.502 1.00 0.00 C ATOM 565 CD1 LEU A 40 -9.794 4.959 0.117 1.00 0.00 C ATOM 566 CD2 LEU A 40 -10.587 2.974 1.399 1.00 0.00 C ATOM 0 H LEU A 40 -7.892 4.988 4.311 1.00 0.00 H new ATOM 0 HA LEU A 40 -9.185 2.557 3.267 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -7.896 5.031 2.158 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -7.811 3.596 1.156 1.00 0.00 H new ATOM 0 HG LEU A 40 -10.329 4.942 2.229 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -10.814 5.133 -0.226 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -9.263 5.909 0.175 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -9.283 4.300 -0.585 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -11.610 3.165 1.074 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -10.091 2.326 0.676 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -10.601 2.486 2.374 1.00 0.00 H new ATOM 578 N TRP A 41 -6.915 1.500 2.189 1.00 0.00 N ATOM 579 CA TRP A 41 -5.687 0.668 2.058 1.00 0.00 C ATOM 580 C TRP A 41 -5.622 0.097 0.642 1.00 0.00 C ATOM 581 O TRP A 41 -6.262 -0.887 0.325 1.00 0.00 O ATOM 582 CB TRP A 41 -5.712 -0.467 3.092 1.00 0.00 C ATOM 583 CG TRP A 41 -4.497 -0.383 3.966 1.00 0.00 C ATOM 584 CD1 TRP A 41 -3.222 -0.307 3.516 1.00 0.00 C ATOM 585 CD2 TRP A 41 -4.417 -0.363 5.422 1.00 0.00 C ATOM 586 NE1 TRP A 41 -2.368 -0.241 4.603 1.00 0.00 N ATOM 587 CE2 TRP A 41 -3.056 -0.271 5.799 1.00 0.00 C ATOM 588 CE3 TRP A 41 -5.385 -0.413 6.442 1.00 0.00 C ATOM 589 CZ2 TRP A 41 -2.670 -0.231 7.140 1.00 0.00 C ATOM 590 CZ3 TRP A 41 -4.999 -0.373 7.792 1.00 0.00 C ATOM 591 CH2 TRP A 41 -3.644 -0.282 8.139 1.00 0.00 C ATOM 0 H TRP A 41 -7.626 1.338 1.476 1.00 0.00 H new ATOM 0 HA TRP A 41 -4.804 1.281 2.241 1.00 0.00 H new ATOM 0 HB2 TRP A 41 -6.614 -0.398 3.700 1.00 0.00 H new ATOM 0 HB3 TRP A 41 -5.742 -1.432 2.586 1.00 0.00 H new ATOM 0 HD1 TRP A 41 -2.921 -0.299 2.479 1.00 0.00 H new ATOM 0 HE1 TRP A 41 -1.353 -0.178 4.529 1.00 0.00 H new ATOM 0 HE3 TRP A 41 -6.432 -0.483 6.185 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 -1.625 -0.161 7.403 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 -5.750 -0.413 8.567 1.00 0.00 H new ATOM 0 HH2 TRP A 41 -3.354 -0.251 9.179 1.00 0.00 H new ATOM 602 N ALA A 42 -4.865 0.719 -0.220 1.00 0.00 N ATOM 603 CA ALA A 42 -4.772 0.225 -1.618 1.00 0.00 C ATOM 604 C ALA A 42 -3.560 -0.687 -1.785 1.00 0.00 C ATOM 605 O ALA A 42 -2.505 -0.455 -1.229 1.00 0.00 O ATOM 606 CB ALA A 42 -4.636 1.417 -2.562 1.00 0.00 C ATOM 0 H ALA A 42 -4.308 1.548 -0.014 1.00 0.00 H new ATOM 0 HA ALA A 42 -5.673 -0.341 -1.852 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -4.567 1.061 -3.590 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -5.507 2.064 -2.459 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -3.736 1.979 -2.312 1.00 0.00 H new ATOM 612 N CYS A 43 -3.708 -1.716 -2.571 1.00 0.00 N ATOM 613 CA CYS A 43 -2.576 -2.647 -2.811 1.00 0.00 C ATOM 614 C CYS A 43 -1.425 -1.870 -3.442 1.00 0.00 C ATOM 615 O CYS A 43 -1.635 -0.874 -4.106 1.00 0.00 O ATOM 616 CB CYS A 43 -3.027 -3.749 -3.764 1.00 0.00 C ATOM 617 SG CYS A 43 -1.810 -5.085 -3.756 1.00 0.00 S ATOM 0 H CYS A 43 -4.572 -1.952 -3.060 1.00 0.00 H new ATOM 0 HA CYS A 43 -2.251 -3.091 -1.870 1.00 0.00 H new ATOM 0 HB2 CYS A 43 -4.003 -4.129 -3.462 1.00 0.00 H new ATOM 0 HB3 CYS A 43 -3.139 -3.350 -4.772 1.00 0.00 H new ATOM 622 N LEU A 44 -0.210 -2.298 -3.236 1.00 0.00 N ATOM 623 CA LEU A 44 0.942 -1.556 -3.823 1.00 0.00 C ATOM 624 C LEU A 44 1.942 -2.522 -4.461 1.00 0.00 C ATOM 625 O LEU A 44 3.129 -2.428 -4.226 1.00 0.00 O ATOM 626 CB LEU A 44 1.638 -0.757 -2.717 1.00 0.00 C ATOM 627 CG LEU A 44 2.615 0.253 -3.338 1.00 0.00 C ATOM 628 CD1 LEU A 44 1.857 1.497 -3.809 1.00 0.00 C ATOM 629 CD2 LEU A 44 3.655 0.667 -2.293 1.00 0.00 C ATOM 0 H LEU A 44 0.035 -3.124 -2.690 1.00 0.00 H new ATOM 0 HA LEU A 44 0.571 -0.884 -4.596 1.00 0.00 H new ATOM 0 HB2 LEU A 44 0.897 -0.235 -2.112 1.00 0.00 H new ATOM 0 HB3 LEU A 44 2.174 -1.433 -2.051 1.00 0.00 H new ATOM 0 HG LEU A 44 3.110 -0.213 -4.190 1.00 0.00 H new ATOM 0 HD11 LEU A 44 2.559 2.206 -4.247 1.00 0.00 H new ATOM 0 HD12 LEU A 44 1.116 1.211 -4.556 1.00 0.00 H new ATOM 0 HD13 LEU A 44 1.355 1.961 -2.960 1.00 0.00 H new ATOM 0 HD21 LEU A 44 4.348 1.384 -2.734 1.00 0.00 H new ATOM 0 HD22 LEU A 44 3.152 1.125 -1.441 1.00 0.00 H new ATOM 0 HD23 LEU A 44 4.206 -0.213 -1.959 1.00 0.00 H new ATOM 641 N GLN A 45 1.492 -3.443 -5.279 1.00 0.00 N ATOM 642 CA GLN A 45 2.461 -4.377 -5.926 1.00 0.00 C ATOM 643 C GLN A 45 2.805 -3.864 -7.326 1.00 0.00 C ATOM 644 O GLN A 45 2.000 -3.247 -7.995 1.00 0.00 O ATOM 645 CB GLN A 45 1.880 -5.788 -6.034 1.00 0.00 C ATOM 646 CG GLN A 45 1.131 -6.159 -4.746 1.00 0.00 C ATOM 647 CD GLN A 45 1.868 -7.302 -4.040 1.00 0.00 C ATOM 648 OE1 GLN A 45 2.223 -8.284 -4.658 1.00 0.00 O ATOM 649 NE2 GLN A 45 2.120 -7.209 -2.762 1.00 0.00 N ATOM 0 H GLN A 45 0.512 -3.586 -5.523 1.00 0.00 H new ATOM 0 HA GLN A 45 3.359 -4.420 -5.309 1.00 0.00 H new ATOM 0 HB2 GLN A 45 1.202 -5.845 -6.886 1.00 0.00 H new ATOM 0 HB3 GLN A 45 2.681 -6.505 -6.216 1.00 0.00 H new ATOM 0 HG2 GLN A 45 1.065 -5.293 -4.088 1.00 0.00 H new ATOM 0 HG3 GLN A 45 0.110 -6.460 -4.980 1.00 0.00 H new ATOM 0 HE21 GLN A 45 1.822 -6.384 -2.242 1.00 0.00 H new ATOM 0 HE22 GLN A 45 2.615 -7.962 -2.284 1.00 0.00 H new ATOM 658 N VAL A 46 4.008 -4.108 -7.755 1.00 0.00 N ATOM 659 CA VAL A 46 4.457 -3.641 -9.103 1.00 0.00 C ATOM 660 C VAL A 46 3.358 -3.821 -10.157 1.00 0.00 C ATOM 661 O VAL A 46 3.418 -3.227 -11.215 1.00 0.00 O ATOM 662 CB VAL A 46 5.682 -4.449 -9.535 1.00 0.00 C ATOM 663 CG1 VAL A 46 5.308 -5.929 -9.640 1.00 0.00 C ATOM 664 CG2 VAL A 46 6.163 -3.950 -10.899 1.00 0.00 C ATOM 0 H VAL A 46 4.714 -4.619 -7.224 1.00 0.00 H new ATOM 0 HA VAL A 46 4.696 -2.580 -9.027 1.00 0.00 H new ATOM 0 HB VAL A 46 6.476 -4.326 -8.799 1.00 0.00 H new ATOM 0 HG11 VAL A 46 6.181 -6.504 -9.948 1.00 0.00 H new ATOM 0 HG12 VAL A 46 4.962 -6.286 -8.670 1.00 0.00 H new ATOM 0 HG13 VAL A 46 4.514 -6.052 -10.377 1.00 0.00 H new ATOM 0 HG21 VAL A 46 7.036 -4.524 -11.209 1.00 0.00 H new ATOM 0 HG22 VAL A 46 5.367 -4.074 -11.633 1.00 0.00 H new ATOM 0 HG23 VAL A 46 6.429 -2.895 -10.827 1.00 0.00 H new ATOM 674 N ALA A 47 2.367 -4.639 -9.910 1.00 0.00 N ATOM 675 CA ALA A 47 1.311 -4.831 -10.953 1.00 0.00 C ATOM 676 C ALA A 47 -0.059 -5.081 -10.316 1.00 0.00 C ATOM 677 O ALA A 47 -0.748 -6.018 -10.670 1.00 0.00 O ATOM 678 CB ALA A 47 1.683 -6.029 -11.828 1.00 0.00 C ATOM 0 H ALA A 47 2.242 -5.173 -9.050 1.00 0.00 H new ATOM 0 HA ALA A 47 1.251 -3.923 -11.553 1.00 0.00 H new ATOM 0 HB1 ALA A 47 0.918 -6.174 -12.590 1.00 0.00 H new ATOM 0 HB2 ALA A 47 2.643 -5.844 -12.309 1.00 0.00 H new ATOM 0 HB3 ALA A 47 1.753 -6.924 -11.209 1.00 0.00 H new ATOM 684 N CYS A 48 -0.475 -4.252 -9.398 1.00 0.00 N ATOM 685 CA CYS A 48 -1.814 -4.453 -8.773 1.00 0.00 C ATOM 686 C CYS A 48 -2.446 -3.097 -8.455 1.00 0.00 C ATOM 687 O CYS A 48 -2.395 -2.628 -7.335 1.00 0.00 O ATOM 688 CB CYS A 48 -1.658 -5.249 -7.482 1.00 0.00 C ATOM 689 SG CYS A 48 -3.256 -5.958 -7.022 1.00 0.00 S ATOM 0 H CYS A 48 0.051 -3.448 -9.055 1.00 0.00 H new ATOM 0 HA CYS A 48 -2.455 -4.998 -9.467 1.00 0.00 H new ATOM 0 HB2 CYS A 48 -0.921 -6.041 -7.616 1.00 0.00 H new ATOM 0 HB3 CYS A 48 -1.291 -4.603 -6.685 1.00 0.00 H new ATOM 694 N PRO A 49 -3.045 -2.470 -9.434 1.00 0.00 N ATOM 695 CA PRO A 49 -3.703 -1.152 -9.255 1.00 0.00 C ATOM 696 C PRO A 49 -5.161 -1.285 -8.799 1.00 0.00 C ATOM 697 O PRO A 49 -6.045 -1.543 -9.589 1.00 0.00 O ATOM 698 CB PRO A 49 -3.633 -0.552 -10.658 1.00 0.00 C ATOM 699 CG PRO A 49 -3.709 -1.728 -11.586 1.00 0.00 C ATOM 700 CD PRO A 49 -3.158 -2.944 -10.821 1.00 0.00 C ATOM 0 HA PRO A 49 -3.224 -0.548 -8.485 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -4.455 0.142 -10.832 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -2.708 0.006 -10.803 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -4.738 -1.905 -11.901 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -3.126 -1.545 -12.489 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -3.828 -3.800 -10.897 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -2.192 -3.259 -11.215 1.00 0.00 H new ATOM 708 N TYR A 50 -5.409 -1.094 -7.531 1.00 0.00 N ATOM 709 CA TYR A 50 -6.800 -1.195 -6.999 1.00 0.00 C ATOM 710 C TYR A 50 -6.791 -0.692 -5.555 1.00 0.00 C ATOM 711 O TYR A 50 -5.921 -1.045 -4.784 1.00 0.00 O ATOM 712 CB TYR A 50 -7.265 -2.655 -7.015 1.00 0.00 C ATOM 713 CG TYR A 50 -7.592 -3.079 -8.430 1.00 0.00 C ATOM 714 CD1 TYR A 50 -6.770 -4.001 -9.091 1.00 0.00 C ATOM 715 CD2 TYR A 50 -8.714 -2.551 -9.078 1.00 0.00 C ATOM 716 CE1 TYR A 50 -7.071 -4.392 -10.401 1.00 0.00 C ATOM 717 CE2 TYR A 50 -9.015 -2.943 -10.388 1.00 0.00 C ATOM 718 CZ TYR A 50 -8.193 -3.864 -11.050 1.00 0.00 C ATOM 719 OH TYR A 50 -8.489 -4.251 -12.340 1.00 0.00 O ATOM 0 H TYR A 50 -4.700 -0.870 -6.833 1.00 0.00 H new ATOM 0 HA TYR A 50 -7.476 -0.602 -7.615 1.00 0.00 H new ATOM 0 HB2 TYR A 50 -6.486 -3.298 -6.605 1.00 0.00 H new ATOM 0 HB3 TYR A 50 -8.143 -2.773 -6.379 1.00 0.00 H new ATOM 0 HD1 TYR A 50 -5.905 -4.410 -8.590 1.00 0.00 H new ATOM 0 HD2 TYR A 50 -9.348 -1.841 -8.568 1.00 0.00 H new ATOM 0 HE1 TYR A 50 -6.437 -5.102 -10.911 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -9.881 -2.535 -10.888 1.00 0.00 H new ATOM 0 HH TYR A 50 -9.301 -3.792 -12.641 1.00 0.00 H new ATOM 729 N VAL A 51 -7.734 0.129 -5.173 1.00 0.00 N ATOM 730 CA VAL A 51 -7.735 0.635 -3.769 1.00 0.00 C ATOM 731 C VAL A 51 -8.766 -0.124 -2.937 1.00 0.00 C ATOM 732 O VAL A 51 -9.958 0.055 -3.075 1.00 0.00 O ATOM 733 CB VAL A 51 -8.025 2.140 -3.747 1.00 0.00 C ATOM 734 CG1 VAL A 51 -9.163 2.471 -4.713 1.00 0.00 C ATOM 735 CG2 VAL A 51 -8.407 2.579 -2.328 1.00 0.00 C ATOM 0 H VAL A 51 -8.494 0.467 -5.763 1.00 0.00 H new ATOM 0 HA VAL A 51 -6.750 0.469 -3.334 1.00 0.00 H new ATOM 0 HB VAL A 51 -7.128 2.675 -4.058 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -9.360 3.543 -4.689 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -8.880 2.177 -5.724 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -10.061 1.930 -4.416 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -8.611 3.650 -2.321 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -9.297 2.038 -2.007 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -7.585 2.362 -1.646 1.00 0.00 H new ATOM 745 N GLY A 52 -8.299 -0.976 -2.067 1.00 0.00 N ATOM 746 CA GLY A 52 -9.222 -1.768 -1.210 1.00 0.00 C ATOM 747 C GLY A 52 -9.578 -0.966 0.043 1.00 0.00 C ATOM 748 O GLY A 52 -9.242 0.194 0.165 1.00 0.00 O ATOM 0 H GLY A 52 -7.307 -1.158 -1.913 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -10.127 -2.015 -1.765 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -8.753 -2.711 -0.929 1.00 0.00 H new ATOM 752 N CYS A 53 -10.263 -1.576 0.975 1.00 0.00 N ATOM 753 CA CYS A 53 -10.649 -0.851 2.218 1.00 0.00 C ATOM 754 C CYS A 53 -9.678 -1.173 3.329 1.00 0.00 C ATOM 755 O CYS A 53 -8.862 -2.070 3.250 1.00 0.00 O ATOM 756 CB CYS A 53 -12.013 -1.336 2.739 1.00 0.00 C ATOM 757 SG CYS A 53 -12.365 -2.983 2.084 1.00 0.00 S ATOM 0 H CYS A 53 -10.572 -2.547 0.927 1.00 0.00 H new ATOM 0 HA CYS A 53 -10.665 0.210 1.967 1.00 0.00 H new ATOM 0 HB2 CYS A 53 -12.009 -1.361 3.829 1.00 0.00 H new ATOM 0 HB3 CYS A 53 -12.796 -0.640 2.439 1.00 0.00 H new ATOM 762 N GLY A 54 -9.855 -0.479 4.400 1.00 0.00 N ATOM 763 CA GLY A 54 -9.075 -0.730 5.622 1.00 0.00 C ATOM 764 C GLY A 54 -10.125 -1.145 6.636 1.00 0.00 C ATOM 765 O GLY A 54 -11.293 -0.901 6.416 1.00 0.00 O ATOM 0 H GLY A 54 -10.533 0.279 4.481 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -8.333 -1.513 5.470 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -8.537 0.161 5.944 1.00 0.00 H new ATOM 769 N GLU A 55 -9.768 -1.781 7.707 1.00 0.00 N ATOM 770 CA GLU A 55 -10.814 -2.204 8.690 1.00 0.00 C ATOM 771 C GLU A 55 -12.032 -1.301 8.562 1.00 0.00 C ATOM 772 O GLU A 55 -13.159 -1.741 8.662 1.00 0.00 O ATOM 773 CB GLU A 55 -10.268 -2.089 10.104 1.00 0.00 C ATOM 774 CG GLU A 55 -10.104 -0.613 10.480 1.00 0.00 C ATOM 775 CD GLU A 55 -9.206 -0.496 11.713 1.00 0.00 C ATOM 776 OE1 GLU A 55 -8.060 -0.903 11.627 1.00 0.00 O ATOM 777 OE2 GLU A 55 -9.681 -0.002 12.723 1.00 0.00 O ATOM 0 H GLU A 55 -8.809 -2.029 7.951 1.00 0.00 H new ATOM 0 HA GLU A 55 -11.094 -3.237 8.485 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -10.943 -2.579 10.805 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -9.308 -2.601 10.175 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -9.669 -0.061 9.647 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -11.078 -0.168 10.683 1.00 0.00 H new ATOM 784 N SER A 56 -11.797 -0.043 8.315 1.00 0.00 N ATOM 785 CA SER A 56 -12.919 0.919 8.135 1.00 0.00 C ATOM 786 C SER A 56 -14.128 0.164 7.585 1.00 0.00 C ATOM 787 O SER A 56 -15.246 0.353 8.021 1.00 0.00 O ATOM 788 CB SER A 56 -12.485 1.999 7.141 1.00 0.00 C ATOM 789 OG SER A 56 -12.404 3.249 7.815 1.00 0.00 O ATOM 0 H SER A 56 -10.866 0.364 8.229 1.00 0.00 H new ATOM 0 HA SER A 56 -13.182 1.384 9.085 1.00 0.00 H new ATOM 0 HB2 SER A 56 -11.519 1.743 6.707 1.00 0.00 H new ATOM 0 HB3 SER A 56 -13.198 2.061 6.319 1.00 0.00 H new ATOM 0 HG SER A 56 -12.282 3.967 7.159 1.00 0.00 H new ATOM 795 N PHE A 57 -13.897 -0.714 6.641 1.00 0.00 N ATOM 796 CA PHE A 57 -15.021 -1.512 6.069 1.00 0.00 C ATOM 797 C PHE A 57 -14.764 -2.993 6.310 1.00 0.00 C ATOM 798 O PHE A 57 -15.106 -3.543 7.338 1.00 0.00 O ATOM 799 CB PHE A 57 -15.124 -1.277 4.566 1.00 0.00 C ATOM 800 CG PHE A 57 -16.233 -2.141 4.005 1.00 0.00 C ATOM 801 CD1 PHE A 57 -17.552 -1.966 4.449 1.00 0.00 C ATOM 802 CD2 PHE A 57 -15.944 -3.120 3.046 1.00 0.00 C ATOM 803 CE1 PHE A 57 -18.577 -2.768 3.933 1.00 0.00 C ATOM 804 CE2 PHE A 57 -16.971 -3.922 2.531 1.00 0.00 C ATOM 805 CZ PHE A 57 -18.287 -3.745 2.975 1.00 0.00 C ATOM 0 H PHE A 57 -12.979 -0.911 6.243 1.00 0.00 H new ATOM 0 HA PHE A 57 -15.949 -1.204 6.551 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -15.327 -0.226 4.363 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -14.178 -1.518 4.082 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -17.777 -1.212 5.189 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -14.929 -3.257 2.703 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -19.592 -2.632 4.275 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -16.747 -4.677 1.792 1.00 0.00 H new ATOM 0 HZ PHE A 57 -19.078 -4.363 2.578 1.00 0.00 H new ATOM 815 N ALA A 58 -14.152 -3.634 5.358 1.00 0.00 N ATOM 816 CA ALA A 58 -13.842 -5.088 5.490 1.00 0.00 C ATOM 817 C ALA A 58 -12.330 -5.268 5.389 1.00 0.00 C ATOM 818 O ALA A 58 -11.812 -6.364 5.461 1.00 0.00 O ATOM 819 CB ALA A 58 -14.528 -5.865 4.362 1.00 0.00 C ATOM 0 H ALA A 58 -13.848 -3.210 4.482 1.00 0.00 H new ATOM 0 HA ALA A 58 -14.202 -5.463 6.448 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -14.300 -6.926 4.460 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -15.606 -5.718 4.423 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -14.166 -5.504 3.399 1.00 0.00 H new ATOM 825 N ASP A 59 -11.627 -4.185 5.224 1.00 0.00 N ATOM 826 CA ASP A 59 -10.147 -4.250 5.116 1.00 0.00 C ATOM 827 C ASP A 59 -9.737 -5.215 4.003 1.00 0.00 C ATOM 828 O ASP A 59 -9.089 -6.212 4.251 1.00 0.00 O ATOM 829 CB ASP A 59 -9.549 -4.721 6.449 1.00 0.00 C ATOM 830 CG ASP A 59 -8.051 -4.975 6.288 1.00 0.00 C ATOM 831 OD1 ASP A 59 -7.679 -6.118 6.082 1.00 0.00 O ATOM 832 OD2 ASP A 59 -7.298 -4.019 6.379 1.00 0.00 O ATOM 0 H ASP A 59 -12.021 -3.246 5.159 1.00 0.00 H new ATOM 0 HA ASP A 59 -9.770 -3.255 4.879 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -9.718 -3.968 7.219 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -10.048 -5.632 6.779 1.00 0.00 H new ATOM 837 N HIS A 60 -10.077 -4.925 2.771 1.00 0.00 N ATOM 838 CA HIS A 60 -9.650 -5.837 1.672 1.00 0.00 C ATOM 839 C HIS A 60 -8.161 -6.096 1.876 1.00 0.00 C ATOM 840 O HIS A 60 -7.623 -7.100 1.479 1.00 0.00 O ATOM 841 CB HIS A 60 -9.867 -5.169 0.304 1.00 0.00 C ATOM 842 CG HIS A 60 -11.066 -5.763 -0.390 1.00 0.00 C ATOM 843 ND1 HIS A 60 -12.204 -5.016 -0.704 1.00 0.00 N ATOM 844 CD2 HIS A 60 -11.313 -7.034 -0.844 1.00 0.00 C ATOM 845 CE1 HIS A 60 -13.068 -5.852 -1.315 1.00 0.00 C ATOM 846 NE2 HIS A 60 -12.573 -7.084 -1.423 1.00 0.00 N ATOM 0 H HIS A 60 -10.622 -4.111 2.485 1.00 0.00 H new ATOM 0 HA HIS A 60 -10.228 -6.761 1.692 1.00 0.00 H new ATOM 0 HB2 HIS A 60 -10.010 -4.096 0.435 1.00 0.00 H new ATOM 0 HB3 HIS A 60 -8.980 -5.299 -0.315 1.00 0.00 H new ATOM 0 HD2 HIS A 60 -10.631 -7.868 -0.763 1.00 0.00 H new ATOM 0 HE1 HIS A 60 -14.043 -5.558 -1.673 1.00 0.00 H new ATOM 0 HE2 HIS A 60 -13.026 -7.895 -1.844 1.00 0.00 H new ATOM 854 N SER A 61 -7.506 -5.173 2.516 1.00 0.00 N ATOM 855 CA SER A 61 -6.049 -5.317 2.784 1.00 0.00 C ATOM 856 C SER A 61 -5.737 -6.734 3.268 1.00 0.00 C ATOM 857 O SER A 61 -4.666 -7.257 3.032 1.00 0.00 O ATOM 858 CB SER A 61 -5.652 -4.309 3.864 1.00 0.00 C ATOM 859 OG SER A 61 -4.302 -3.911 3.665 1.00 0.00 O ATOM 0 H SER A 61 -7.923 -4.312 2.870 1.00 0.00 H new ATOM 0 HA SER A 61 -5.488 -5.131 1.868 1.00 0.00 H new ATOM 0 HB2 SER A 61 -6.309 -3.440 3.825 1.00 0.00 H new ATOM 0 HB3 SER A 61 -5.770 -4.753 4.852 1.00 0.00 H new ATOM 0 HG SER A 61 -4.236 -2.935 3.726 1.00 0.00 H new ATOM 865 N THR A 62 -6.653 -7.357 3.958 1.00 0.00 N ATOM 866 CA THR A 62 -6.386 -8.728 4.464 1.00 0.00 C ATOM 867 C THR A 62 -6.808 -9.770 3.435 1.00 0.00 C ATOM 868 O THR A 62 -5.993 -10.503 2.913 1.00 0.00 O ATOM 869 CB THR A 62 -7.174 -8.968 5.746 1.00 0.00 C ATOM 870 OG1 THR A 62 -8.428 -8.307 5.662 1.00 0.00 O ATOM 871 CG2 THR A 62 -6.391 -8.440 6.952 1.00 0.00 C ATOM 0 H THR A 62 -7.570 -6.976 4.191 1.00 0.00 H new ATOM 0 HA THR A 62 -5.317 -8.818 4.656 1.00 0.00 H new ATOM 0 HB THR A 62 -7.335 -10.039 5.871 1.00 0.00 H new ATOM 0 HG1 THR A 62 -8.322 -7.369 5.927 1.00 0.00 H new ATOM 0 HG21 THR A 62 -6.963 -8.617 7.863 1.00 0.00 H new ATOM 0 HG22 THR A 62 -5.434 -8.957 7.019 1.00 0.00 H new ATOM 0 HG23 THR A 62 -6.218 -7.370 6.834 1.00 0.00 H new ATOM 879 N ILE A 63 -8.081 -9.864 3.157 1.00 0.00 N ATOM 880 CA ILE A 63 -8.532 -10.887 2.183 1.00 0.00 C ATOM 881 C ILE A 63 -7.812 -10.665 0.853 1.00 0.00 C ATOM 882 O ILE A 63 -7.518 -11.592 0.127 1.00 0.00 O ATOM 883 CB ILE A 63 -10.037 -10.809 1.971 1.00 0.00 C ATOM 884 CG1 ILE A 63 -10.435 -9.358 1.766 1.00 0.00 C ATOM 885 CG2 ILE A 63 -10.765 -11.375 3.193 1.00 0.00 C ATOM 886 CD1 ILE A 63 -11.852 -9.289 1.195 1.00 0.00 C ATOM 0 H ILE A 63 -8.816 -9.283 3.559 1.00 0.00 H new ATOM 0 HA ILE A 63 -8.294 -11.875 2.576 1.00 0.00 H new ATOM 0 HB ILE A 63 -10.312 -11.394 1.093 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -10.387 -8.820 2.713 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -9.735 -8.871 1.087 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -11.842 -11.316 3.035 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -10.476 -12.416 3.339 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -10.496 -10.797 4.077 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -12.135 -8.247 1.049 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -11.885 -9.811 0.239 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -12.548 -9.760 1.890 1.00 0.00 H new ATOM 898 N HIS A 64 -7.522 -9.436 0.540 1.00 0.00 N ATOM 899 CA HIS A 64 -6.810 -9.132 -0.735 1.00 0.00 C ATOM 900 C HIS A 64 -5.360 -9.604 -0.627 1.00 0.00 C ATOM 901 O HIS A 64 -4.819 -10.185 -1.546 1.00 0.00 O ATOM 902 CB HIS A 64 -6.825 -7.626 -1.003 1.00 0.00 C ATOM 903 CG HIS A 64 -6.115 -7.357 -2.298 1.00 0.00 C ATOM 904 ND1 HIS A 64 -6.791 -7.043 -3.466 1.00 0.00 N ATOM 905 CD2 HIS A 64 -4.784 -7.376 -2.626 1.00 0.00 C ATOM 906 CE1 HIS A 64 -5.872 -6.889 -4.436 1.00 0.00 C ATOM 907 NE2 HIS A 64 -4.633 -7.083 -3.976 1.00 0.00 N ATOM 0 H HIS A 64 -7.747 -8.623 1.113 1.00 0.00 H new ATOM 0 HA HIS A 64 -7.313 -9.647 -1.553 1.00 0.00 H new ATOM 0 HB2 HIS A 64 -7.851 -7.262 -1.053 1.00 0.00 H new ATOM 0 HB3 HIS A 64 -6.337 -7.093 -0.187 1.00 0.00 H new ATOM 0 HD1 HIS A 64 -7.801 -6.946 -3.571 1.00 0.00 H new ATOM 0 HD2 HIS A 64 -3.977 -7.586 -1.940 1.00 0.00 H new ATOM 0 HE1 HIS A 64 -6.107 -6.639 -5.460 1.00 0.00 H new ATOM 915 N ALA A 65 -4.731 -9.381 0.497 1.00 0.00 N ATOM 916 CA ALA A 65 -3.324 -9.847 0.658 1.00 0.00 C ATOM 917 C ALA A 65 -3.380 -11.347 0.896 1.00 0.00 C ATOM 918 O ALA A 65 -2.423 -12.072 0.740 1.00 0.00 O ATOM 919 CB ALA A 65 -2.685 -9.154 1.864 1.00 0.00 C ATOM 0 H ALA A 65 -5.128 -8.900 1.304 1.00 0.00 H new ATOM 0 HA ALA A 65 -2.729 -9.613 -0.225 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -1.657 -9.497 1.978 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -2.692 -8.075 1.710 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -3.250 -9.396 2.764 1.00 0.00 H new ATOM 925 N GLN A 66 -4.528 -11.784 1.298 1.00 0.00 N ATOM 926 CA GLN A 66 -4.780 -13.212 1.600 1.00 0.00 C ATOM 927 C GLN A 66 -5.105 -13.981 0.314 1.00 0.00 C ATOM 928 O GLN A 66 -4.764 -15.138 0.166 1.00 0.00 O ATOM 929 CB GLN A 66 -5.997 -13.214 2.517 1.00 0.00 C ATOM 930 CG GLN A 66 -6.598 -14.614 2.685 1.00 0.00 C ATOM 931 CD GLN A 66 -6.054 -15.263 3.960 1.00 0.00 C ATOM 932 OE1 GLN A 66 -5.215 -16.139 3.899 1.00 0.00 O ATOM 933 NE2 GLN A 66 -6.500 -14.867 5.122 1.00 0.00 N ATOM 0 H GLN A 66 -5.340 -11.183 1.436 1.00 0.00 H new ATOM 0 HA GLN A 66 -3.912 -13.688 2.055 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -5.713 -12.823 3.494 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -6.754 -12.542 2.113 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -7.685 -14.549 2.734 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -6.354 -15.230 1.820 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -7.205 -14.131 5.174 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -6.144 -15.293 5.977 1.00 0.00 H new ATOM 942 N ALA A 67 -5.789 -13.355 -0.603 1.00 0.00 N ATOM 943 CA ALA A 67 -6.173 -14.049 -1.863 1.00 0.00 C ATOM 944 C ALA A 67 -5.073 -13.883 -2.907 1.00 0.00 C ATOM 945 O ALA A 67 -4.714 -14.811 -3.604 1.00 0.00 O ATOM 946 CB ALA A 67 -7.480 -13.448 -2.392 1.00 0.00 C ATOM 0 H ALA A 67 -6.100 -12.386 -0.533 1.00 0.00 H new ATOM 0 HA ALA A 67 -6.312 -15.111 -1.662 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -7.765 -13.953 -3.315 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -8.267 -13.578 -1.649 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -7.338 -12.385 -2.589 1.00 0.00 H new ATOM 952 N LYS A 68 -4.551 -12.697 -3.030 1.00 0.00 N ATOM 953 CA LYS A 68 -3.486 -12.446 -4.040 1.00 0.00 C ATOM 954 C LYS A 68 -2.119 -12.535 -3.371 1.00 0.00 C ATOM 955 O LYS A 68 -1.093 -12.313 -3.985 1.00 0.00 O ATOM 956 CB LYS A 68 -3.688 -11.054 -4.632 1.00 0.00 C ATOM 957 CG LYS A 68 -5.110 -10.947 -5.206 1.00 0.00 C ATOM 958 CD LYS A 68 -6.051 -10.334 -4.165 1.00 0.00 C ATOM 959 CE LYS A 68 -7.419 -10.082 -4.800 1.00 0.00 C ATOM 960 NZ LYS A 68 -7.272 -9.130 -5.939 1.00 0.00 N ATOM 0 H LYS A 68 -4.817 -11.886 -2.472 1.00 0.00 H new ATOM 0 HA LYS A 68 -3.539 -13.192 -4.833 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -3.535 -10.295 -3.865 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -2.953 -10.869 -5.415 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -5.102 -10.333 -6.107 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -5.469 -11.934 -5.496 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -6.152 -11.004 -3.311 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -5.635 -9.399 -3.789 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -7.848 -11.021 -5.150 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -8.106 -9.675 -4.058 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -7.872 -8.296 -5.774 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -6.279 -8.832 -6.016 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -7.563 -9.597 -6.822 1.00 0.00 H new ATOM 974 N LYS A 69 -2.102 -12.871 -2.117 1.00 0.00 N ATOM 975 CA LYS A 69 -0.816 -12.997 -1.382 1.00 0.00 C ATOM 976 C LYS A 69 -0.023 -11.687 -1.470 1.00 0.00 C ATOM 977 O LYS A 69 1.154 -11.648 -1.171 1.00 0.00 O ATOM 978 CB LYS A 69 0.007 -14.147 -1.985 1.00 0.00 C ATOM 979 CG LYS A 69 -0.276 -15.451 -1.223 1.00 0.00 C ATOM 980 CD LYS A 69 -1.793 -15.663 -1.087 1.00 0.00 C ATOM 981 CE LYS A 69 -2.101 -17.163 -1.059 1.00 0.00 C ATOM 982 NZ LYS A 69 -3.537 -17.368 -0.718 1.00 0.00 N ATOM 0 H LYS A 69 -2.934 -13.067 -1.561 1.00 0.00 H new ATOM 0 HA LYS A 69 -1.024 -13.209 -0.333 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -0.243 -14.270 -3.039 1.00 0.00 H new ATOM 0 HB3 LYS A 69 1.070 -13.910 -1.935 1.00 0.00 H new ATOM 0 HG2 LYS A 69 0.171 -16.294 -1.750 1.00 0.00 H new ATOM 0 HG3 LYS A 69 0.184 -15.412 -0.236 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -2.156 -15.190 -0.175 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -2.313 -15.190 -1.920 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -1.879 -17.609 -2.028 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -1.467 -17.662 -0.326 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -3.664 -18.314 -0.306 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -3.837 -16.648 -0.030 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -4.114 -17.285 -1.580 1.00 0.00 H new ATOM 996 N HIS A 70 -0.657 -10.607 -1.845 1.00 0.00 N ATOM 997 CA HIS A 70 0.075 -9.305 -1.907 1.00 0.00 C ATOM 998 C HIS A 70 0.238 -8.808 -0.469 1.00 0.00 C ATOM 999 O HIS A 70 -0.730 -8.606 0.234 1.00 0.00 O ATOM 1000 CB HIS A 70 -0.733 -8.303 -2.739 1.00 0.00 C ATOM 1001 CG HIS A 70 -0.783 -8.785 -4.166 1.00 0.00 C ATOM 1002 ND1 HIS A 70 -1.755 -8.362 -5.061 1.00 0.00 N ATOM 1003 CD2 HIS A 70 0.015 -9.658 -4.868 1.00 0.00 C ATOM 1004 CE1 HIS A 70 -1.520 -8.975 -6.236 1.00 0.00 C ATOM 1005 NE2 HIS A 70 -0.454 -9.771 -6.170 1.00 0.00 N ATOM 0 H HIS A 70 -1.641 -10.568 -2.109 1.00 0.00 H new ATOM 0 HA HIS A 70 1.052 -9.420 -2.377 1.00 0.00 H new ATOM 0 HB2 HIS A 70 -1.742 -8.206 -2.338 1.00 0.00 H new ATOM 0 HB3 HIS A 70 -0.274 -7.315 -2.690 1.00 0.00 H new ATOM 0 HD2 HIS A 70 0.874 -10.176 -4.468 1.00 0.00 H new ATOM 0 HE1 HIS A 70 -2.121 -8.838 -7.123 1.00 0.00 H new ATOM 0 HE2 HIS A 70 -0.064 -10.343 -6.919 1.00 0.00 H new ATOM 1013 N ASN A 71 1.449 -8.652 -0.001 1.00 0.00 N ATOM 1014 CA ASN A 71 1.641 -8.224 1.413 1.00 0.00 C ATOM 1015 C ASN A 71 1.696 -6.702 1.531 1.00 0.00 C ATOM 1016 O ASN A 71 1.154 -6.127 2.453 1.00 0.00 O ATOM 1017 CB ASN A 71 2.947 -8.819 1.935 1.00 0.00 C ATOM 1018 CG ASN A 71 4.013 -8.763 0.839 1.00 0.00 C ATOM 1019 OD1 ASN A 71 4.949 -7.992 0.923 1.00 0.00 O ATOM 1020 ND2 ASN A 71 3.912 -9.555 -0.195 1.00 0.00 N ATOM 0 H ASN A 71 2.306 -8.801 -0.533 1.00 0.00 H new ATOM 0 HA ASN A 71 0.795 -8.579 2.001 1.00 0.00 H new ATOM 0 HB2 ASN A 71 3.284 -8.267 2.812 1.00 0.00 H new ATOM 0 HB3 ASN A 71 2.788 -9.851 2.249 1.00 0.00 H new ATOM 0 HD21 ASN A 71 4.618 -9.526 -0.931 1.00 0.00 H new ATOM 0 HD22 ASN A 71 3.127 -10.202 -0.267 1.00 0.00 H new ATOM 1027 N LEU A 72 2.374 -6.047 0.638 1.00 0.00 N ATOM 1028 CA LEU A 72 2.499 -4.568 0.746 1.00 0.00 C ATOM 1029 C LEU A 72 1.265 -3.838 0.217 1.00 0.00 C ATOM 1030 O LEU A 72 0.759 -4.108 -0.853 1.00 0.00 O ATOM 1031 CB LEU A 72 3.725 -4.119 -0.040 1.00 0.00 C ATOM 1032 CG LEU A 72 4.984 -4.636 0.659 1.00 0.00 C ATOM 1033 CD1 LEU A 72 6.157 -4.603 -0.319 1.00 0.00 C ATOM 1034 CD2 LEU A 72 5.311 -3.757 1.874 1.00 0.00 C ATOM 0 H LEU A 72 2.847 -6.468 -0.162 1.00 0.00 H new ATOM 0 HA LEU A 72 2.597 -4.318 1.802 1.00 0.00 H new ATOM 0 HB2 LEU A 72 3.678 -4.500 -1.060 1.00 0.00 H new ATOM 0 HB3 LEU A 72 3.752 -3.031 -0.107 1.00 0.00 H new ATOM 0 HG LEU A 72 4.811 -5.659 0.994 1.00 0.00 H new ATOM 0 HD11 LEU A 72 7.055 -4.971 0.177 1.00 0.00 H new ATOM 0 HD12 LEU A 72 5.932 -5.235 -1.178 1.00 0.00 H new ATOM 0 HD13 LEU A 72 6.322 -3.579 -0.655 1.00 0.00 H new ATOM 0 HD21 LEU A 72 6.209 -4.134 2.364 1.00 0.00 H new ATOM 0 HD22 LEU A 72 5.480 -2.731 1.546 1.00 0.00 H new ATOM 0 HD23 LEU A 72 4.477 -3.781 2.576 1.00 0.00 H new ATOM 1046 N THR A 73 0.819 -2.877 0.977 1.00 0.00 N ATOM 1047 CA THR A 73 -0.348 -2.041 0.590 1.00 0.00 C ATOM 1048 C THR A 73 -0.122 -0.673 1.232 1.00 0.00 C ATOM 1049 O THR A 73 0.635 -0.562 2.172 1.00 0.00 O ATOM 1050 CB THR A 73 -1.646 -2.659 1.120 1.00 0.00 C ATOM 1051 OG1 THR A 73 -1.777 -2.363 2.504 1.00 0.00 O ATOM 1052 CG2 THR A 73 -1.618 -4.175 0.922 1.00 0.00 C ATOM 0 H THR A 73 1.229 -2.631 1.878 1.00 0.00 H new ATOM 0 HA THR A 73 -0.438 -1.967 -0.494 1.00 0.00 H new ATOM 0 HB THR A 73 -2.493 -2.243 0.574 1.00 0.00 H new ATOM 0 HG1 THR A 73 -2.562 -1.794 2.644 1.00 0.00 H new ATOM 0 HG21 THR A 73 -2.544 -4.609 1.301 1.00 0.00 H new ATOM 0 HG22 THR A 73 -1.519 -4.402 -0.140 1.00 0.00 H new ATOM 0 HG23 THR A 73 -0.771 -4.597 1.463 1.00 0.00 H new ATOM 1060 N VAL A 74 -0.732 0.375 0.746 1.00 0.00 N ATOM 1061 CA VAL A 74 -0.471 1.713 1.365 1.00 0.00 C ATOM 1062 C VAL A 74 -1.757 2.349 1.888 1.00 0.00 C ATOM 1063 O VAL A 74 -2.726 2.521 1.175 1.00 0.00 O ATOM 1064 CB VAL A 74 0.178 2.630 0.322 1.00 0.00 C ATOM 1065 CG1 VAL A 74 -0.557 2.486 -1.013 1.00 0.00 C ATOM 1066 CG2 VAL A 74 0.100 4.089 0.786 1.00 0.00 C ATOM 0 H VAL A 74 -1.387 0.368 -0.036 1.00 0.00 H new ATOM 0 HA VAL A 74 0.199 1.576 2.214 1.00 0.00 H new ATOM 0 HB VAL A 74 1.223 2.346 0.200 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -0.096 3.138 -1.755 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -0.497 1.452 -1.352 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -1.603 2.766 -0.885 1.00 0.00 H new ATOM 0 HG21 VAL A 74 0.563 4.734 0.039 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -0.944 4.375 0.914 1.00 0.00 H new ATOM 0 HG23 VAL A 74 0.625 4.198 1.735 1.00 0.00 H new ATOM 1076 N ASN A 75 -1.748 2.714 3.144 1.00 0.00 N ATOM 1077 CA ASN A 75 -2.936 3.361 3.757 1.00 0.00 C ATOM 1078 C ASN A 75 -2.964 4.826 3.331 1.00 0.00 C ATOM 1079 O ASN A 75 -2.239 5.649 3.851 1.00 0.00 O ATOM 1080 CB ASN A 75 -2.839 3.275 5.281 1.00 0.00 C ATOM 1081 CG ASN A 75 -4.191 3.634 5.899 1.00 0.00 C ATOM 1082 OD1 ASN A 75 -4.437 3.358 7.057 1.00 0.00 O ATOM 1083 ND2 ASN A 75 -5.085 4.242 5.170 1.00 0.00 N ATOM 0 H ASN A 75 -0.956 2.588 3.775 1.00 0.00 H new ATOM 0 HA ASN A 75 -3.845 2.857 3.429 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -2.546 2.269 5.581 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -2.068 3.954 5.646 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -5.990 4.486 5.571 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -4.879 4.474 4.198 1.00 0.00 H new ATOM 1090 N LEU A 76 -3.788 5.153 2.382 1.00 0.00 N ATOM 1091 CA LEU A 76 -3.858 6.564 1.911 1.00 0.00 C ATOM 1092 C LEU A 76 -4.503 7.423 2.994 1.00 0.00 C ATOM 1093 O LEU A 76 -4.953 8.525 2.750 1.00 0.00 O ATOM 1094 CB LEU A 76 -4.671 6.616 0.619 1.00 0.00 C ATOM 1095 CG LEU A 76 -4.169 5.508 -0.333 1.00 0.00 C ATOM 1096 CD1 LEU A 76 -5.339 4.635 -0.783 1.00 0.00 C ATOM 1097 CD2 LEU A 76 -3.487 6.120 -1.563 1.00 0.00 C ATOM 0 H LEU A 76 -4.418 4.505 1.909 1.00 0.00 H new ATOM 0 HA LEU A 76 -2.858 6.950 1.712 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -5.730 6.476 0.834 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -4.568 7.593 0.148 1.00 0.00 H new ATOM 0 HG LEU A 76 -3.444 4.897 0.205 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -4.975 3.857 -1.454 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -5.805 4.175 0.088 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -6.072 5.250 -1.305 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -3.140 5.323 -2.221 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -4.198 6.749 -2.098 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -2.637 6.723 -1.245 1.00 0.00 H new ATOM 1109 N THR A 77 -4.525 6.925 4.198 1.00 0.00 N ATOM 1110 CA THR A 77 -5.108 7.693 5.328 1.00 0.00 C ATOM 1111 C THR A 77 -3.969 8.356 6.092 1.00 0.00 C ATOM 1112 O THR A 77 -4.068 9.485 6.532 1.00 0.00 O ATOM 1113 CB THR A 77 -5.842 6.734 6.260 1.00 0.00 C ATOM 1114 OG1 THR A 77 -6.822 6.028 5.517 1.00 0.00 O ATOM 1115 CG2 THR A 77 -6.501 7.525 7.393 1.00 0.00 C ATOM 0 H THR A 77 -4.159 6.007 4.448 1.00 0.00 H new ATOM 0 HA THR A 77 -5.805 8.444 4.956 1.00 0.00 H new ATOM 0 HB THR A 77 -5.139 6.023 6.694 1.00 0.00 H new ATOM 0 HG1 THR A 77 -7.222 6.626 4.852 1.00 0.00 H new ATOM 0 HG21 THR A 77 -7.025 6.839 8.058 1.00 0.00 H new ATOM 0 HG22 THR A 77 -5.736 8.062 7.954 1.00 0.00 H new ATOM 0 HG23 THR A 77 -7.211 8.238 6.974 1.00 0.00 H new ATOM 1123 N THR A 78 -2.886 7.645 6.253 1.00 0.00 N ATOM 1124 CA THR A 78 -1.714 8.203 6.995 1.00 0.00 C ATOM 1125 C THR A 78 -0.490 8.289 6.078 1.00 0.00 C ATOM 1126 O THR A 78 0.475 8.961 6.386 1.00 0.00 O ATOM 1127 CB THR A 78 -1.391 7.297 8.184 1.00 0.00 C ATOM 1128 OG1 THR A 78 -2.563 7.106 8.964 1.00 0.00 O ATOM 1129 CG2 THR A 78 -0.303 7.945 9.042 1.00 0.00 C ATOM 0 H THR A 78 -2.760 6.696 5.901 1.00 0.00 H new ATOM 0 HA THR A 78 -1.963 9.205 7.345 1.00 0.00 H new ATOM 0 HB THR A 78 -1.036 6.333 7.820 1.00 0.00 H new ATOM 0 HG1 THR A 78 -2.537 7.698 9.744 1.00 0.00 H new ATOM 0 HG21 THR A 78 -0.074 7.298 9.889 1.00 0.00 H new ATOM 0 HG22 THR A 78 0.596 8.089 8.442 1.00 0.00 H new ATOM 0 HG23 THR A 78 -0.654 8.910 9.407 1.00 0.00 H new ATOM 1137 N PHE A 79 -0.519 7.624 4.956 1.00 0.00 N ATOM 1138 CA PHE A 79 0.643 7.678 4.015 1.00 0.00 C ATOM 1139 C PHE A 79 1.762 6.740 4.490 1.00 0.00 C ATOM 1140 O PHE A 79 2.902 7.134 4.636 1.00 0.00 O ATOM 1141 CB PHE A 79 1.167 9.120 3.924 1.00 0.00 C ATOM 1142 CG PHE A 79 1.640 9.404 2.517 1.00 0.00 C ATOM 1143 CD1 PHE A 79 2.982 9.204 2.173 1.00 0.00 C ATOM 1144 CD2 PHE A 79 0.734 9.870 1.557 1.00 0.00 C ATOM 1145 CE1 PHE A 79 3.417 9.469 0.869 1.00 0.00 C ATOM 1146 CE2 PHE A 79 1.169 10.136 0.253 1.00 0.00 C ATOM 1147 CZ PHE A 79 2.511 9.935 -0.091 1.00 0.00 C ATOM 0 H PHE A 79 -1.298 7.043 4.647 1.00 0.00 H new ATOM 0 HA PHE A 79 0.314 7.351 3.029 1.00 0.00 H new ATOM 0 HB2 PHE A 79 0.380 9.821 4.201 1.00 0.00 H new ATOM 0 HB3 PHE A 79 1.986 9.265 4.629 1.00 0.00 H new ATOM 0 HD1 PHE A 79 3.682 8.845 2.913 1.00 0.00 H new ATOM 0 HD2 PHE A 79 -0.301 10.024 1.822 1.00 0.00 H new ATOM 0 HE1 PHE A 79 4.452 9.314 0.603 1.00 0.00 H new ATOM 0 HE2 PHE A 79 0.470 10.496 -0.487 1.00 0.00 H new ATOM 0 HZ PHE A 79 2.847 10.139 -1.097 1.00 0.00 H new ATOM 1157 N ARG A 80 1.442 5.493 4.697 1.00 0.00 N ATOM 1158 CA ARG A 80 2.466 4.498 5.123 1.00 0.00 C ATOM 1159 C ARG A 80 2.129 3.181 4.431 1.00 0.00 C ATOM 1160 O ARG A 80 1.174 3.097 3.688 1.00 0.00 O ATOM 1161 CB ARG A 80 2.448 4.301 6.646 1.00 0.00 C ATOM 1162 CG ARG A 80 1.128 4.807 7.241 1.00 0.00 C ATOM 1163 CD ARG A 80 0.858 4.071 8.558 1.00 0.00 C ATOM 1164 NE ARG A 80 -0.169 4.807 9.355 1.00 0.00 N ATOM 1165 CZ ARG A 80 -1.406 4.377 9.410 1.00 0.00 C ATOM 1166 NH1 ARG A 80 -2.282 5.017 10.135 1.00 0.00 N ATOM 1167 NH2 ARG A 80 -1.770 3.318 8.737 1.00 0.00 N ATOM 0 H ARG A 80 0.501 5.116 4.587 1.00 0.00 H new ATOM 0 HA ARG A 80 3.461 4.848 4.850 1.00 0.00 H new ATOM 0 HB2 ARG A 80 2.579 3.245 6.883 1.00 0.00 H new ATOM 0 HB3 ARG A 80 3.285 4.835 7.097 1.00 0.00 H new ATOM 0 HG2 ARG A 80 1.181 5.882 7.415 1.00 0.00 H new ATOM 0 HG3 ARG A 80 0.310 4.637 6.541 1.00 0.00 H new ATOM 0 HD2 ARG A 80 0.513 3.057 8.353 1.00 0.00 H new ATOM 0 HD3 ARG A 80 1.781 3.984 9.131 1.00 0.00 H new ATOM 0 HE ARG A 80 0.095 5.652 9.861 1.00 0.00 H new ATOM 0 HH11 ARG A 80 -2.003 5.848 10.656 1.00 0.00 H new ATOM 0 HH12 ARG A 80 -3.246 4.686 10.181 1.00 0.00 H new ATOM 0 HH21 ARG A 80 -1.090 2.819 8.163 1.00 0.00 H new ATOM 0 HH22 ARG A 80 -2.735 2.990 8.785 1.00 0.00 H new ATOM 1181 N LEU A 81 2.896 2.156 4.654 1.00 0.00 N ATOM 1182 CA LEU A 81 2.604 0.857 3.989 1.00 0.00 C ATOM 1183 C LEU A 81 2.232 -0.190 5.030 1.00 0.00 C ATOM 1184 O LEU A 81 2.238 0.058 6.218 1.00 0.00 O ATOM 1185 CB LEU A 81 3.842 0.398 3.212 1.00 0.00 C ATOM 1186 CG LEU A 81 3.731 0.816 1.742 1.00 0.00 C ATOM 1187 CD1 LEU A 81 5.135 1.048 1.172 1.00 0.00 C ATOM 1188 CD2 LEU A 81 3.019 -0.276 0.923 1.00 0.00 C ATOM 0 H LEU A 81 3.712 2.159 5.266 1.00 0.00 H new ATOM 0 HA LEU A 81 1.767 0.983 3.302 1.00 0.00 H new ATOM 0 HB2 LEU A 81 4.739 0.832 3.654 1.00 0.00 H new ATOM 0 HB3 LEU A 81 3.944 -0.685 3.283 1.00 0.00 H new ATOM 0 HG LEU A 81 3.149 1.736 1.681 1.00 0.00 H new ATOM 0 HD11 LEU A 81 5.059 1.345 0.126 1.00 0.00 H new ATOM 0 HD12 LEU A 81 5.632 1.836 1.738 1.00 0.00 H new ATOM 0 HD13 LEU A 81 5.714 0.128 1.246 1.00 0.00 H new ATOM 0 HD21 LEU A 81 2.949 0.038 -0.118 1.00 0.00 H new ATOM 0 HD22 LEU A 81 3.586 -1.205 0.985 1.00 0.00 H new ATOM 0 HD23 LEU A 81 2.017 -0.435 1.322 1.00 0.00 H new ATOM 1200 N TRP A 82 1.915 -1.362 4.574 1.00 0.00 N ATOM 1201 CA TRP A 82 1.544 -2.463 5.497 1.00 0.00 C ATOM 1202 C TRP A 82 1.864 -3.782 4.804 1.00 0.00 C ATOM 1203 O TRP A 82 1.237 -4.152 3.832 1.00 0.00 O ATOM 1204 CB TRP A 82 0.048 -2.386 5.810 1.00 0.00 C ATOM 1205 CG TRP A 82 -0.270 -3.247 6.992 1.00 0.00 C ATOM 1206 CD1 TRP A 82 0.348 -3.181 8.195 1.00 0.00 C ATOM 1207 CD2 TRP A 82 -1.276 -4.295 7.108 1.00 0.00 C ATOM 1208 NE1 TRP A 82 -0.211 -4.124 9.037 1.00 0.00 N ATOM 1209 CE2 TRP A 82 -1.216 -4.835 8.415 1.00 0.00 C ATOM 1210 CE3 TRP A 82 -2.226 -4.825 6.215 1.00 0.00 C ATOM 1211 CZ2 TRP A 82 -2.066 -5.865 8.821 1.00 0.00 C ATOM 1212 CZ3 TRP A 82 -3.083 -5.861 6.620 1.00 0.00 C ATOM 1213 CH2 TRP A 82 -3.004 -6.379 7.921 1.00 0.00 C ATOM 0 H TRP A 82 1.897 -1.609 3.585 1.00 0.00 H new ATOM 0 HA TRP A 82 2.099 -2.385 6.432 1.00 0.00 H new ATOM 0 HB2 TRP A 82 -0.237 -1.354 6.014 1.00 0.00 H new ATOM 0 HB3 TRP A 82 -0.531 -2.712 4.946 1.00 0.00 H new ATOM 0 HD1 TRP A 82 1.147 -2.502 8.454 1.00 0.00 H new ATOM 0 HE1 TRP A 82 0.084 -4.276 10.002 1.00 0.00 H new ATOM 0 HE3 TRP A 82 -2.296 -4.432 5.211 1.00 0.00 H new ATOM 0 HZ2 TRP A 82 -1.999 -6.262 9.823 1.00 0.00 H new ATOM 0 HZ3 TRP A 82 -3.807 -6.261 5.926 1.00 0.00 H new ATOM 0 HH2 TRP A 82 -3.667 -7.174 8.227 1.00 0.00 H new ATOM 1224 N CYS A 83 2.850 -4.483 5.279 1.00 0.00 N ATOM 1225 CA CYS A 83 3.230 -5.762 4.632 1.00 0.00 C ATOM 1226 C CYS A 83 2.523 -6.925 5.313 1.00 0.00 C ATOM 1227 O CYS A 83 2.862 -7.289 6.411 1.00 0.00 O ATOM 1228 CB CYS A 83 4.740 -5.956 4.766 1.00 0.00 C ATOM 1229 SG CYS A 83 5.375 -6.748 3.274 1.00 0.00 S ATOM 0 H CYS A 83 3.411 -4.224 6.091 1.00 0.00 H new ATOM 0 HA CYS A 83 2.941 -5.731 3.581 1.00 0.00 H new ATOM 0 HB2 CYS A 83 5.230 -4.994 4.917 1.00 0.00 H new ATOM 0 HB3 CYS A 83 4.963 -6.568 5.640 1.00 0.00 H new ATOM 1234 N TYR A 84 1.574 -7.541 4.670 1.00 0.00 N ATOM 1235 CA TYR A 84 0.917 -8.706 5.318 1.00 0.00 C ATOM 1236 C TYR A 84 1.947 -9.832 5.353 1.00 0.00 C ATOM 1237 O TYR A 84 1.688 -10.926 5.812 1.00 0.00 O ATOM 1238 CB TYR A 84 -0.320 -9.136 4.517 1.00 0.00 C ATOM 1239 CG TYR A 84 -1.265 -9.904 5.416 1.00 0.00 C ATOM 1240 CD1 TYR A 84 -1.540 -11.253 5.156 1.00 0.00 C ATOM 1241 CD2 TYR A 84 -1.863 -9.266 6.509 1.00 0.00 C ATOM 1242 CE1 TYR A 84 -2.413 -11.962 5.989 1.00 0.00 C ATOM 1243 CE2 TYR A 84 -2.737 -9.976 7.341 1.00 0.00 C ATOM 1244 CZ TYR A 84 -3.012 -11.324 7.081 1.00 0.00 C ATOM 1245 OH TYR A 84 -3.874 -12.023 7.902 1.00 0.00 O ATOM 0 H TYR A 84 1.230 -7.295 3.742 1.00 0.00 H new ATOM 0 HA TYR A 84 0.582 -8.454 6.324 1.00 0.00 H new ATOM 0 HB2 TYR A 84 -0.823 -8.260 4.107 1.00 0.00 H new ATOM 0 HB3 TYR A 84 -0.021 -9.756 3.672 1.00 0.00 H new ATOM 0 HD1 TYR A 84 -1.078 -11.746 4.313 1.00 0.00 H new ATOM 0 HD2 TYR A 84 -1.650 -8.226 6.710 1.00 0.00 H new ATOM 0 HE1 TYR A 84 -2.625 -13.002 5.789 1.00 0.00 H new ATOM 0 HE2 TYR A 84 -3.199 -9.484 8.184 1.00 0.00 H new ATOM 0 HH TYR A 84 -4.201 -11.432 8.612 1.00 0.00 H new ATOM 1255 N ALA A 85 3.139 -9.539 4.892 1.00 0.00 N ATOM 1256 CA ALA A 85 4.232 -10.544 4.912 1.00 0.00 C ATOM 1257 C ALA A 85 5.113 -10.210 6.110 1.00 0.00 C ATOM 1258 O ALA A 85 5.095 -10.894 7.115 1.00 0.00 O ATOM 1259 CB ALA A 85 5.057 -10.467 3.626 1.00 0.00 C ATOM 0 H ALA A 85 3.398 -8.634 4.499 1.00 0.00 H new ATOM 0 HA ALA A 85 3.826 -11.553 4.985 1.00 0.00 H new ATOM 0 HB1 ALA A 85 5.853 -11.211 3.659 1.00 0.00 H new ATOM 0 HB2 ALA A 85 4.413 -10.663 2.768 1.00 0.00 H new ATOM 0 HB3 ALA A 85 5.493 -9.473 3.533 1.00 0.00 H new ATOM 1265 N CYS A 86 5.843 -9.122 6.045 1.00 0.00 N ATOM 1266 CA CYS A 86 6.652 -8.724 7.212 1.00 0.00 C ATOM 1267 C CYS A 86 5.648 -8.412 8.310 1.00 0.00 C ATOM 1268 O CYS A 86 5.977 -8.247 9.467 1.00 0.00 O ATOM 1269 CB CYS A 86 7.475 -7.474 6.875 1.00 0.00 C ATOM 1270 SG CYS A 86 8.456 -7.774 5.384 1.00 0.00 S ATOM 0 H CYS A 86 5.906 -8.504 5.236 1.00 0.00 H new ATOM 0 HA CYS A 86 7.351 -9.504 7.512 1.00 0.00 H new ATOM 0 HB2 CYS A 86 6.813 -6.622 6.721 1.00 0.00 H new ATOM 0 HB3 CYS A 86 8.130 -7.222 7.709 1.00 0.00 H new ATOM 1275 N GLU A 87 4.402 -8.344 7.917 1.00 0.00 N ATOM 1276 CA GLU A 87 3.306 -8.057 8.874 1.00 0.00 C ATOM 1277 C GLU A 87 3.690 -6.859 9.746 1.00 0.00 C ATOM 1278 O GLU A 87 3.834 -6.958 10.947 1.00 0.00 O ATOM 1279 CB GLU A 87 3.057 -9.313 9.714 1.00 0.00 C ATOM 1280 CG GLU A 87 1.630 -9.824 9.483 1.00 0.00 C ATOM 1281 CD GLU A 87 0.633 -8.889 10.169 1.00 0.00 C ATOM 1282 OE1 GLU A 87 -0.262 -9.390 10.828 1.00 0.00 O ATOM 1283 OE2 GLU A 87 0.783 -7.686 10.024 1.00 0.00 O ATOM 0 H GLU A 87 4.098 -8.479 6.953 1.00 0.00 H new ATOM 0 HA GLU A 87 2.386 -7.800 8.348 1.00 0.00 H new ATOM 0 HB2 GLU A 87 3.777 -10.087 9.448 1.00 0.00 H new ATOM 0 HB3 GLU A 87 3.205 -9.089 10.770 1.00 0.00 H new ATOM 0 HG2 GLU A 87 1.420 -9.876 8.415 1.00 0.00 H new ATOM 0 HG3 GLU A 87 1.527 -10.835 9.877 1.00 0.00 H new ATOM 1290 N LYS A 88 3.847 -5.719 9.129 1.00 0.00 N ATOM 1291 CA LYS A 88 4.212 -4.492 9.888 1.00 0.00 C ATOM 1292 C LYS A 88 3.894 -3.268 9.029 1.00 0.00 C ATOM 1293 O LYS A 88 3.385 -3.389 7.935 1.00 0.00 O ATOM 1294 CB LYS A 88 5.708 -4.512 10.206 1.00 0.00 C ATOM 1295 CG LYS A 88 6.476 -4.968 8.968 1.00 0.00 C ATOM 1296 CD LYS A 88 7.977 -4.764 9.188 1.00 0.00 C ATOM 1297 CE LYS A 88 8.460 -5.659 10.335 1.00 0.00 C ATOM 1298 NZ LYS A 88 8.294 -4.938 11.629 1.00 0.00 N ATOM 0 H LYS A 88 3.737 -5.586 8.124 1.00 0.00 H new ATOM 0 HA LYS A 88 3.647 -4.452 10.819 1.00 0.00 H new ATOM 0 HB2 LYS A 88 6.041 -3.520 10.511 1.00 0.00 H new ATOM 0 HB3 LYS A 88 5.906 -5.185 11.040 1.00 0.00 H new ATOM 0 HG2 LYS A 88 6.268 -6.019 8.766 1.00 0.00 H new ATOM 0 HG3 LYS A 88 6.147 -4.404 8.095 1.00 0.00 H new ATOM 0 HD2 LYS A 88 8.523 -5.001 8.275 1.00 0.00 H new ATOM 0 HD3 LYS A 88 8.181 -3.719 9.419 1.00 0.00 H new ATOM 0 HE2 LYS A 88 7.892 -6.589 10.349 1.00 0.00 H new ATOM 0 HE3 LYS A 88 9.506 -5.926 10.187 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 9.209 -4.895 12.122 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 7.953 -3.972 11.447 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 7.604 -5.443 12.222 1.00 0.00 H new ATOM 1312 N GLU A 89 4.195 -2.094 9.513 1.00 0.00 N ATOM 1313 CA GLU A 89 3.917 -0.856 8.724 1.00 0.00 C ATOM 1314 C GLU A 89 5.245 -0.282 8.230 1.00 0.00 C ATOM 1315 O GLU A 89 6.246 -0.350 8.915 1.00 0.00 O ATOM 1316 CB GLU A 89 3.204 0.165 9.626 1.00 0.00 C ATOM 1317 CG GLU A 89 1.914 0.658 8.955 1.00 0.00 C ATOM 1318 CD GLU A 89 0.954 1.184 10.024 1.00 0.00 C ATOM 1319 OE1 GLU A 89 -0.193 0.767 10.018 1.00 0.00 O ATOM 1320 OE2 GLU A 89 1.380 1.994 10.830 1.00 0.00 O ATOM 0 H GLU A 89 4.624 -1.936 10.425 1.00 0.00 H new ATOM 0 HA GLU A 89 3.279 -1.084 7.870 1.00 0.00 H new ATOM 0 HB2 GLU A 89 2.970 -0.290 10.588 1.00 0.00 H new ATOM 0 HB3 GLU A 89 3.864 1.009 9.824 1.00 0.00 H new ATOM 0 HG2 GLU A 89 2.143 1.445 8.237 1.00 0.00 H new ATOM 0 HG3 GLU A 89 1.447 -0.155 8.399 1.00 0.00 H new ATOM 1327 N VAL A 90 5.280 0.273 7.043 1.00 0.00 N ATOM 1328 CA VAL A 90 6.572 0.827 6.538 1.00 0.00 C ATOM 1329 C VAL A 90 6.320 2.072 5.684 1.00 0.00 C ATOM 1330 O VAL A 90 5.373 2.152 4.937 1.00 0.00 O ATOM 1331 CB VAL A 90 7.297 -0.248 5.708 1.00 0.00 C ATOM 1332 CG1 VAL A 90 7.950 -1.259 6.655 1.00 0.00 C ATOM 1333 CG2 VAL A 90 6.303 -0.979 4.787 1.00 0.00 C ATOM 0 H VAL A 90 4.484 0.365 6.412 1.00 0.00 H new ATOM 0 HA VAL A 90 7.196 1.112 7.385 1.00 0.00 H new ATOM 0 HB VAL A 90 8.057 0.233 5.092 1.00 0.00 H new ATOM 0 HG11 VAL A 90 8.465 -2.023 6.073 1.00 0.00 H new ATOM 0 HG12 VAL A 90 8.667 -0.746 7.296 1.00 0.00 H new ATOM 0 HG13 VAL A 90 7.183 -1.728 7.271 1.00 0.00 H new ATOM 0 HG21 VAL A 90 6.832 -1.735 4.208 1.00 0.00 H new ATOM 0 HG22 VAL A 90 5.532 -1.458 5.391 1.00 0.00 H new ATOM 0 HG23 VAL A 90 5.840 -0.262 4.110 1.00 0.00 H new ATOM 1343 N PHE A 91 7.179 3.045 5.791 1.00 0.00 N ATOM 1344 CA PHE A 91 7.021 4.291 4.988 1.00 0.00 C ATOM 1345 C PHE A 91 8.006 4.254 3.837 1.00 0.00 C ATOM 1346 O PHE A 91 8.907 3.438 3.808 1.00 0.00 O ATOM 1347 CB PHE A 91 7.371 5.513 5.834 1.00 0.00 C ATOM 1348 CG PHE A 91 6.417 5.634 7.000 1.00 0.00 C ATOM 1349 CD1 PHE A 91 6.467 4.704 8.046 1.00 0.00 C ATOM 1350 CD2 PHE A 91 5.486 6.680 7.038 1.00 0.00 C ATOM 1351 CE1 PHE A 91 5.586 4.819 9.128 1.00 0.00 C ATOM 1352 CE2 PHE A 91 4.605 6.794 8.121 1.00 0.00 C ATOM 1353 CZ PHE A 91 4.656 5.864 9.166 1.00 0.00 C ATOM 0 H PHE A 91 7.992 3.031 6.406 1.00 0.00 H new ATOM 0 HA PHE A 91 5.990 4.354 4.639 1.00 0.00 H new ATOM 0 HB2 PHE A 91 8.394 5.430 6.200 1.00 0.00 H new ATOM 0 HB3 PHE A 91 7.324 6.413 5.222 1.00 0.00 H new ATOM 0 HD1 PHE A 91 7.185 3.898 8.018 1.00 0.00 H new ATOM 0 HD2 PHE A 91 5.448 7.398 6.232 1.00 0.00 H new ATOM 0 HE1 PHE A 91 5.624 4.101 9.934 1.00 0.00 H new ATOM 0 HE2 PHE A 91 3.886 7.600 8.150 1.00 0.00 H new ATOM 0 HZ PHE A 91 3.978 5.953 10.002 1.00 0.00 H new ATOM 1363 N LEU A 92 7.873 5.146 2.902 1.00 0.00 N ATOM 1364 CA LEU A 92 8.837 5.169 1.784 1.00 0.00 C ATOM 1365 C LEU A 92 10.238 5.085 2.384 1.00 0.00 C ATOM 1366 O LEU A 92 10.501 5.617 3.444 1.00 0.00 O ATOM 1367 CB LEU A 92 8.683 6.475 1.000 1.00 0.00 C ATOM 1368 CG LEU A 92 7.302 6.515 0.333 1.00 0.00 C ATOM 1369 CD1 LEU A 92 6.846 7.969 0.178 1.00 0.00 C ATOM 1370 CD2 LEU A 92 7.380 5.859 -1.049 1.00 0.00 C ATOM 0 H LEU A 92 7.141 5.855 2.866 1.00 0.00 H new ATOM 0 HA LEU A 92 8.662 4.335 1.104 1.00 0.00 H new ATOM 0 HB2 LEU A 92 8.800 7.328 1.668 1.00 0.00 H new ATOM 0 HB3 LEU A 92 9.465 6.552 0.245 1.00 0.00 H new ATOM 0 HG LEU A 92 6.588 5.974 0.954 1.00 0.00 H new ATOM 0 HD11 LEU A 92 5.865 7.994 -0.296 1.00 0.00 H new ATOM 0 HD12 LEU A 92 6.787 8.438 1.160 1.00 0.00 H new ATOM 0 HD13 LEU A 92 7.562 8.511 -0.440 1.00 0.00 H new ATOM 0 HD21 LEU A 92 6.398 5.888 -1.522 1.00 0.00 H new ATOM 0 HD22 LEU A 92 8.097 6.399 -1.668 1.00 0.00 H new ATOM 0 HD23 LEU A 92 7.701 4.823 -0.942 1.00 0.00 H new ATOM 1382 N GLU A 93 11.124 4.412 1.727 1.00 0.00 N ATOM 1383 CA GLU A 93 12.512 4.271 2.249 1.00 0.00 C ATOM 1384 C GLU A 93 13.074 5.641 2.656 1.00 0.00 C ATOM 1385 O GLU A 93 14.216 5.753 3.057 1.00 0.00 O ATOM 1386 CB GLU A 93 13.395 3.656 1.163 1.00 0.00 C ATOM 1387 CG GLU A 93 13.135 4.366 -0.168 1.00 0.00 C ATOM 1388 CD GLU A 93 13.799 3.584 -1.302 1.00 0.00 C ATOM 1389 OE1 GLU A 93 13.109 3.258 -2.254 1.00 0.00 O ATOM 1390 OE2 GLU A 93 14.987 3.326 -1.201 1.00 0.00 O ATOM 0 H GLU A 93 10.951 3.944 0.837 1.00 0.00 H new ATOM 0 HA GLU A 93 12.499 3.626 3.127 1.00 0.00 H new ATOM 0 HB2 GLU A 93 14.446 3.749 1.438 1.00 0.00 H new ATOM 0 HB3 GLU A 93 13.183 2.591 1.067 1.00 0.00 H new ATOM 0 HG2 GLU A 93 12.063 4.446 -0.346 1.00 0.00 H new ATOM 0 HG3 GLU A 93 13.529 5.382 -0.133 1.00 0.00 H new ATOM 1397 N GLN A 94 12.286 6.680 2.560 1.00 0.00 N ATOM 1398 CA GLN A 94 12.776 8.037 2.942 1.00 0.00 C ATOM 1399 C GLN A 94 13.941 8.453 2.037 1.00 0.00 C ATOM 1400 O GLN A 94 14.260 9.620 1.925 1.00 0.00 O ATOM 1401 CB GLN A 94 13.244 8.026 4.400 1.00 0.00 C ATOM 1402 CG GLN A 94 12.237 7.257 5.257 1.00 0.00 C ATOM 1403 CD GLN A 94 12.508 7.536 6.737 1.00 0.00 C ATOM 1404 OE1 GLN A 94 12.061 8.532 7.271 1.00 0.00 O ATOM 1405 NE2 GLN A 94 13.228 6.693 7.425 1.00 0.00 N ATOM 0 H GLN A 94 11.321 6.647 2.232 1.00 0.00 H new ATOM 0 HA GLN A 94 11.960 8.750 2.825 1.00 0.00 H new ATOM 0 HB2 GLN A 94 14.228 7.562 4.473 1.00 0.00 H new ATOM 0 HB3 GLN A 94 13.345 9.047 4.768 1.00 0.00 H new ATOM 0 HG2 GLN A 94 11.221 7.556 5.000 1.00 0.00 H new ATOM 0 HG3 GLN A 94 12.315 6.188 5.057 1.00 0.00 H new ATOM 0 HE21 GLN A 94 13.603 5.857 6.976 1.00 0.00 H new ATOM 0 HE22 GLN A 94 13.416 6.870 8.412 1.00 0.00 H new ATOM 1414 N ARG A 95 14.579 7.515 1.391 1.00 0.00 N ATOM 1415 CA ARG A 95 15.718 7.873 0.499 1.00 0.00 C ATOM 1416 C ARG A 95 15.302 9.040 -0.398 1.00 0.00 C ATOM 1417 O ARG A 95 16.108 9.867 -0.775 1.00 0.00 O ATOM 1418 CB ARG A 95 16.106 6.647 -0.348 1.00 0.00 C ATOM 1419 CG ARG A 95 15.351 6.638 -1.690 1.00 0.00 C ATOM 1420 CD ARG A 95 16.069 7.532 -2.715 1.00 0.00 C ATOM 1421 NE ARG A 95 16.771 6.675 -3.711 1.00 0.00 N ATOM 1422 CZ ARG A 95 17.241 7.202 -4.809 1.00 0.00 C ATOM 1423 NH1 ARG A 95 17.857 6.453 -5.681 1.00 0.00 N ATOM 1424 NH2 ARG A 95 17.092 8.479 -5.034 1.00 0.00 N ATOM 0 H ARG A 95 14.362 6.520 1.442 1.00 0.00 H new ATOM 0 HA ARG A 95 16.582 8.174 1.092 1.00 0.00 H new ATOM 0 HB2 ARG A 95 17.180 6.654 -0.532 1.00 0.00 H new ATOM 0 HB3 ARG A 95 15.883 5.734 0.204 1.00 0.00 H new ATOM 0 HG2 ARG A 95 15.285 5.619 -2.070 1.00 0.00 H new ATOM 0 HG3 ARG A 95 14.330 6.990 -1.543 1.00 0.00 H new ATOM 0 HD2 ARG A 95 15.350 8.179 -3.218 1.00 0.00 H new ATOM 0 HD3 ARG A 95 16.783 8.182 -2.210 1.00 0.00 H new ATOM 0 HE ARG A 95 16.884 5.677 -3.535 1.00 0.00 H new ATOM 0 HH11 ARG A 95 17.972 5.455 -5.505 1.00 0.00 H new ATOM 0 HH12 ARG A 95 18.224 6.865 -6.539 1.00 0.00 H new ATOM 0 HH21 ARG A 95 16.609 9.064 -4.352 1.00 0.00 H new ATOM 0 HH22 ARG A 95 17.459 8.892 -5.892 1.00 0.00 H new ATOM 1438 N LEU A 96 14.045 9.108 -0.736 1.00 0.00 N ATOM 1439 CA LEU A 96 13.558 10.216 -1.609 1.00 0.00 C ATOM 1440 C LEU A 96 12.798 11.239 -0.764 1.00 0.00 C ATOM 1441 O LEU A 96 12.609 11.065 0.423 1.00 0.00 O ATOM 1442 CB LEU A 96 12.626 9.652 -2.690 1.00 0.00 C ATOM 1443 CG LEU A 96 11.488 8.840 -2.043 1.00 0.00 C ATOM 1444 CD1 LEU A 96 10.220 9.696 -1.954 1.00 0.00 C ATOM 1445 CD2 LEU A 96 11.195 7.602 -2.895 1.00 0.00 C ATOM 0 H LEU A 96 13.330 8.442 -0.445 1.00 0.00 H new ATOM 0 HA LEU A 96 14.411 10.700 -2.084 1.00 0.00 H new ATOM 0 HB2 LEU A 96 12.210 10.467 -3.282 1.00 0.00 H new ATOM 0 HB3 LEU A 96 13.192 9.018 -3.373 1.00 0.00 H new ATOM 0 HG LEU A 96 11.793 8.538 -1.041 1.00 0.00 H new ATOM 0 HD11 LEU A 96 9.420 9.115 -1.495 1.00 0.00 H new ATOM 0 HD12 LEU A 96 10.419 10.580 -1.348 1.00 0.00 H new ATOM 0 HD13 LEU A 96 9.917 10.003 -2.955 1.00 0.00 H new ATOM 0 HD21 LEU A 96 10.390 7.027 -2.437 1.00 0.00 H new ATOM 0 HD22 LEU A 96 10.896 7.912 -3.896 1.00 0.00 H new ATOM 0 HD23 LEU A 96 12.091 6.984 -2.959 1.00 0.00 H new ATOM 1457 N ALA A 97 12.362 12.307 -1.372 1.00 0.00 N ATOM 1458 CA ALA A 97 11.614 13.347 -0.611 1.00 0.00 C ATOM 1459 C ALA A 97 10.828 14.225 -1.587 1.00 0.00 C ATOM 1460 O ALA A 97 11.228 15.328 -1.903 1.00 0.00 O ATOM 1461 CB ALA A 97 12.601 14.213 0.174 1.00 0.00 C ATOM 0 H ALA A 97 12.491 12.505 -2.364 1.00 0.00 H new ATOM 0 HA ALA A 97 10.924 12.865 0.082 1.00 0.00 H new ATOM 0 HB1 ALA A 97 12.054 14.974 0.731 1.00 0.00 H new ATOM 0 HB2 ALA A 97 13.161 13.587 0.869 1.00 0.00 H new ATOM 0 HB3 ALA A 97 13.292 14.696 -0.518 1.00 0.00 H new ATOM 1467 N ALA A 98 9.714 13.745 -2.068 1.00 0.00 N ATOM 1468 CA ALA A 98 8.906 14.553 -3.024 1.00 0.00 C ATOM 1469 C ALA A 98 7.505 13.949 -3.146 1.00 0.00 C ATOM 1470 O ALA A 98 7.145 13.401 -4.169 1.00 0.00 O ATOM 1471 CB ALA A 98 9.585 14.548 -4.396 1.00 0.00 C ATOM 0 H ALA A 98 9.329 12.828 -1.840 1.00 0.00 H new ATOM 0 HA ALA A 98 8.829 15.577 -2.660 1.00 0.00 H new ATOM 0 HB1 ALA A 98 8.995 15.139 -5.096 1.00 0.00 H new ATOM 0 HB2 ALA A 98 10.583 14.978 -4.310 1.00 0.00 H new ATOM 0 HB3 ALA A 98 9.662 13.524 -4.760 1.00 0.00 H new ATOM 1477 N PRO A 99 6.721 14.048 -2.105 1.00 0.00 N ATOM 1478 CA PRO A 99 5.334 13.503 -2.083 1.00 0.00 C ATOM 1479 C PRO A 99 4.346 14.412 -2.822 1.00 0.00 C ATOM 1480 O PRO A 99 4.009 15.451 -2.280 1.00 0.00 O ATOM 1481 CB PRO A 99 5.001 13.439 -0.592 1.00 0.00 C ATOM 1482 CG PRO A 99 5.816 14.525 0.036 1.00 0.00 C ATOM 1483 CD PRO A 99 7.073 14.693 -0.828 1.00 0.00 C ATOM 1484 OXT PRO A 99 3.942 14.051 -3.915 1.00 0.00 O ATOM 0 HA PRO A 99 5.262 12.539 -2.586 1.00 0.00 H new ATOM 0 HB2 PRO A 99 3.936 13.595 -0.419 1.00 0.00 H new ATOM 0 HB3 PRO A 99 5.253 12.465 -0.173 1.00 0.00 H new ATOM 0 HG2 PRO A 99 5.251 15.456 0.081 1.00 0.00 H new ATOM 0 HG3 PRO A 99 6.083 14.265 1.060 1.00 0.00 H new ATOM 0 HD2 PRO A 99 7.322 15.745 -0.968 1.00 0.00 H new ATOM 0 HD3 PRO A 99 7.940 14.219 -0.367 1.00 0.00 H new TER 1492 PRO A 99 HETATM 1493 ZN ZN A 101 7.641 -7.074 3.330 1.00 0.00 ZN HETATM 1494 ZN ZN A 102 -12.944 -3.241 -0.121 1.00 0.00 ZN HETATM 1495 ZN ZN A 103 -2.900 -6.740 -4.901 1.00 0.00 ZN