USER MOD reduce.3.24.130724 H: found=0, std=0, add=619, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 613 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 59 HIS HE2 : A 59 HIS NE2 : A 401 ZNZN :(H bumps) USER MOD Set 1.1: A 35 THR OG1 : rot 80:sc= -0.957 USER MOD Set 1.2: A 48 ASN : amide:sc= -3.01! K(o=-4!,f=-2.4) USER MOD Single : A 1 GLY N :NH3+ -116:sc= 0.0666 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 HIS : no HD1:sc= -2.77! C(o=-2.8!,f=-3.6!) USER MOD Single : A 10 HIS : no HD1:sc= -0.0504 K(o=-0.05,f=-0.56) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 GLN : amide:sc= -0.138 K(o=-0.14,f=-1.9!) USER MOD Single : A 20 THR OG1 : rot 49:sc= 0.347 USER MOD Single : A 21 LYS NZ :NH3+ -118:sc= -0.194 (180deg=-1.48!) USER MOD Single : A 22 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0688) USER MOD Single : A 23 LYS NZ :NH3+ -106:sc= -1.02 (180deg=-3.35!) USER MOD Single : A 25 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.0206) USER MOD Single : A 27 HIS : no HD1:sc= -0.101 X(o=-0.1,f=-0.0039) USER MOD Single : A 33 LYS NZ :NH3+ -158:sc= -0.0797 (180deg=-0.442) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 THR OG1 : rot -9:sc= -0.747 USER MOD Single : A 40 SER OG : rot 5:sc= 0.6 USER MOD Single : A 47 ASN : amide:sc= 0 K(o=0,f=-0.95) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 53 HIS : no HD1:sc= -3.62! C(o=-3.6!,f=-5!) USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 ASN : amide:sc= -0.042 X(o=-0.042,f=0) USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 65 TYR OH : rot 30:sc= 0 USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 SER OG : rot -53:sc= 0.292 USER MOD Single : A 72 TYR OH : rot 180:sc= 0 USER MOD Single : A 77 ASN : amide:sc= -0.831 K(o=-0.83,f=-3!) USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 83 SER OG : rot 180:sc= -0.0809 USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -30.752 60.257 -50.275 1.00 0.00 N ATOM 2 CA GLY A 1 -30.629 58.811 -50.283 1.00 0.00 C ATOM 3 C GLY A 1 -30.606 58.224 -48.886 1.00 0.00 C ATOM 4 O GLY A 1 -30.376 58.936 -47.909 1.00 0.00 O ATOM 0 H1 GLY A 1 -31.651 60.531 -50.720 1.00 0.00 H new ATOM 0 H2 GLY A 1 -30.731 60.602 -49.294 1.00 0.00 H new ATOM 0 H3 GLY A 1 -29.962 60.676 -50.806 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -31.461 58.382 -50.841 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -29.716 58.530 -50.807 1.00 0.00 H new ATOM 8 N SER A 2 -30.847 56.920 -48.790 1.00 0.00 N ATOM 9 CA SER A 2 -30.860 56.238 -47.502 1.00 0.00 C ATOM 10 C SER A 2 -30.677 54.734 -47.682 1.00 0.00 C ATOM 11 O SER A 2 -30.779 54.213 -48.792 1.00 0.00 O ATOM 12 CB SER A 2 -32.170 56.519 -46.764 1.00 0.00 C ATOM 13 OG SER A 2 -33.280 56.010 -47.484 1.00 0.00 O ATOM 0 H SER A 2 -31.036 56.315 -49.589 1.00 0.00 H new ATOM 0 HA SER A 2 -30.029 56.620 -46.909 1.00 0.00 H new ATOM 0 HB2 SER A 2 -32.137 56.067 -45.773 1.00 0.00 H new ATOM 0 HB3 SER A 2 -32.287 57.593 -46.620 1.00 0.00 H new ATOM 0 HG SER A 2 -34.105 56.201 -46.991 1.00 0.00 H new ATOM 19 N SER A 3 -30.407 54.041 -46.580 1.00 0.00 N ATOM 20 CA SER A 3 -30.206 52.597 -46.615 1.00 0.00 C ATOM 21 C SER A 3 -30.093 52.030 -45.203 1.00 0.00 C ATOM 22 O SER A 3 -29.568 52.680 -44.301 1.00 0.00 O ATOM 23 CB SER A 3 -28.948 52.255 -47.416 1.00 0.00 C ATOM 24 OG SER A 3 -29.076 50.996 -48.054 1.00 0.00 O ATOM 0 H SER A 3 -30.322 54.456 -45.652 1.00 0.00 H new ATOM 0 HA SER A 3 -31.071 52.146 -47.101 1.00 0.00 H new ATOM 0 HB2 SER A 3 -28.767 53.028 -48.163 1.00 0.00 H new ATOM 0 HB3 SER A 3 -28.083 52.244 -46.753 1.00 0.00 H new ATOM 0 HG SER A 3 -28.260 50.802 -48.561 1.00 0.00 H new ATOM 30 N GLY A 4 -30.592 50.810 -45.021 1.00 0.00 N ATOM 31 CA GLY A 4 -30.538 50.175 -43.717 1.00 0.00 C ATOM 32 C GLY A 4 -30.688 48.669 -43.800 1.00 0.00 C ATOM 33 O GLY A 4 -31.266 48.147 -44.753 1.00 0.00 O ATOM 0 H GLY A 4 -31.032 50.251 -45.752 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -29.590 50.417 -43.237 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -31.328 50.582 -43.085 1.00 0.00 H new ATOM 37 N SER A 5 -30.163 47.968 -42.800 1.00 0.00 N ATOM 38 CA SER A 5 -30.236 46.512 -42.766 1.00 0.00 C ATOM 39 C SER A 5 -29.805 45.977 -41.404 1.00 0.00 C ATOM 40 O SER A 5 -29.084 46.645 -40.663 1.00 0.00 O ATOM 41 CB SER A 5 -29.356 45.910 -43.864 1.00 0.00 C ATOM 42 OG SER A 5 -27.990 46.218 -43.648 1.00 0.00 O ATOM 0 H SER A 5 -29.682 48.385 -42.003 1.00 0.00 H new ATOM 0 HA SER A 5 -31.272 46.222 -42.940 1.00 0.00 H new ATOM 0 HB2 SER A 5 -29.489 44.828 -43.889 1.00 0.00 H new ATOM 0 HB3 SER A 5 -29.669 46.292 -44.836 1.00 0.00 H new ATOM 0 HG SER A 5 -27.448 45.821 -44.362 1.00 0.00 H new ATOM 48 N SER A 6 -30.252 44.768 -41.081 1.00 0.00 N ATOM 49 CA SER A 6 -29.917 44.144 -39.806 1.00 0.00 C ATOM 50 C SER A 6 -30.303 42.668 -39.806 1.00 0.00 C ATOM 51 O SER A 6 -31.106 42.225 -40.625 1.00 0.00 O ATOM 52 CB SER A 6 -30.623 44.868 -38.659 1.00 0.00 C ATOM 53 OG SER A 6 -29.940 44.671 -37.433 1.00 0.00 O ATOM 0 H SER A 6 -30.847 44.201 -41.685 1.00 0.00 H new ATOM 0 HA SER A 6 -28.839 44.220 -39.664 1.00 0.00 H new ATOM 0 HB2 SER A 6 -30.681 45.934 -38.879 1.00 0.00 H new ATOM 0 HB3 SER A 6 -31.647 44.504 -38.571 1.00 0.00 H new ATOM 0 HG SER A 6 -30.411 45.146 -36.716 1.00 0.00 H new ATOM 59 N GLY A 7 -29.723 41.911 -38.879 1.00 0.00 N ATOM 60 CA GLY A 7 -30.017 40.493 -38.788 1.00 0.00 C ATOM 61 C GLY A 7 -29.174 39.792 -37.742 1.00 0.00 C ATOM 62 O GLY A 7 -28.016 40.151 -37.526 1.00 0.00 O ATOM 0 H GLY A 7 -29.055 42.255 -38.189 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -31.072 40.358 -38.550 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -29.848 40.027 -39.759 1.00 0.00 H new ATOM 66 N ILE A 8 -29.756 38.791 -37.090 1.00 0.00 N ATOM 67 CA ILE A 8 -29.050 38.039 -36.060 1.00 0.00 C ATOM 68 C ILE A 8 -29.458 36.569 -36.075 1.00 0.00 C ATOM 69 O ILE A 8 -30.437 36.193 -36.720 1.00 0.00 O ATOM 70 CB ILE A 8 -29.315 38.618 -34.658 1.00 0.00 C ATOM 71 CG1 ILE A 8 -30.810 38.567 -34.335 1.00 0.00 C ATOM 72 CG2 ILE A 8 -28.797 40.046 -34.568 1.00 0.00 C ATOM 73 CD1 ILE A 8 -31.112 38.660 -32.856 1.00 0.00 C ATOM 0 H ILE A 8 -30.714 38.482 -37.257 1.00 0.00 H new ATOM 0 HA ILE A 8 -27.986 38.121 -36.283 1.00 0.00 H new ATOM 0 HB ILE A 8 -28.783 38.012 -33.925 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -31.313 39.384 -34.852 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -31.226 37.638 -34.725 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -28.992 40.442 -33.571 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -27.724 40.057 -34.759 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -29.304 40.664 -35.309 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -32.190 38.618 -32.701 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -30.638 37.828 -32.335 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -30.726 39.601 -32.464 1.00 0.00 H new ATOM 85 N HIS A 9 -28.701 35.743 -35.360 1.00 0.00 N ATOM 86 CA HIS A 9 -28.985 34.314 -35.289 1.00 0.00 C ATOM 87 C HIS A 9 -28.165 33.651 -34.187 1.00 0.00 C ATOM 88 O HIS A 9 -27.013 34.017 -33.950 1.00 0.00 O ATOM 89 CB HIS A 9 -28.690 33.647 -36.633 1.00 0.00 C ATOM 90 CG HIS A 9 -29.785 33.816 -37.640 1.00 0.00 C ATOM 91 ND1 HIS A 9 -31.121 33.673 -37.329 1.00 0.00 N ATOM 92 CD2 HIS A 9 -29.737 34.119 -38.958 1.00 0.00 C ATOM 93 CE1 HIS A 9 -31.848 33.880 -38.413 1.00 0.00 C ATOM 94 NE2 HIS A 9 -31.032 34.152 -39.415 1.00 0.00 N ATOM 0 H HIS A 9 -27.887 36.038 -34.822 1.00 0.00 H new ATOM 0 HA HIS A 9 -30.042 34.190 -35.055 1.00 0.00 H new ATOM 0 HB2 HIS A 9 -27.767 34.061 -37.039 1.00 0.00 H new ATOM 0 HB3 HIS A 9 -28.518 32.583 -36.471 1.00 0.00 H new ATOM 0 HD2 HIS A 9 -28.847 34.301 -39.542 1.00 0.00 H new ATOM 0 HE1 HIS A 9 -32.926 33.834 -38.470 1.00 0.00 H new ATOM 0 HE2 HIS A 9 -31.317 34.354 -40.373 1.00 0.00 H new ATOM 102 N HIS A 10 -28.766 32.674 -33.515 1.00 0.00 N ATOM 103 CA HIS A 10 -28.091 31.960 -32.437 1.00 0.00 C ATOM 104 C HIS A 10 -28.821 30.662 -32.105 1.00 0.00 C ATOM 105 O HIS A 10 -29.838 30.335 -32.718 1.00 0.00 O ATOM 106 CB HIS A 10 -28.002 32.841 -31.191 1.00 0.00 C ATOM 107 CG HIS A 10 -29.335 33.180 -30.600 1.00 0.00 C ATOM 108 ND1 HIS A 10 -30.001 32.353 -29.720 1.00 0.00 N ATOM 109 CD2 HIS A 10 -30.127 34.266 -30.765 1.00 0.00 C ATOM 110 CE1 HIS A 10 -31.145 32.914 -29.372 1.00 0.00 C ATOM 111 NE2 HIS A 10 -31.245 34.076 -29.992 1.00 0.00 N ATOM 0 H HIS A 10 -29.719 32.359 -33.698 1.00 0.00 H new ATOM 0 HA HIS A 10 -27.083 31.714 -32.772 1.00 0.00 H new ATOM 0 HB2 HIS A 10 -27.399 32.332 -30.439 1.00 0.00 H new ATOM 0 HB3 HIS A 10 -27.481 33.764 -31.445 1.00 0.00 H new ATOM 0 HD2 HIS A 10 -29.918 35.122 -31.389 1.00 0.00 H new ATOM 0 HE1 HIS A 10 -31.875 32.494 -28.696 1.00 0.00 H new ATOM 0 HE2 HIS A 10 -32.026 34.727 -29.910 1.00 0.00 H new ATOM 119 N LEU A 11 -28.294 29.925 -31.133 1.00 0.00 N ATOM 120 CA LEU A 11 -28.895 28.661 -30.720 1.00 0.00 C ATOM 121 C LEU A 11 -28.253 28.147 -29.435 1.00 0.00 C ATOM 122 O LEU A 11 -27.048 28.276 -29.220 1.00 0.00 O ATOM 123 CB LEU A 11 -28.749 27.618 -31.829 1.00 0.00 C ATOM 124 CG LEU A 11 -27.409 26.883 -31.887 1.00 0.00 C ATOM 125 CD1 LEU A 11 -26.257 27.875 -31.927 1.00 0.00 C ATOM 126 CD2 LEU A 11 -27.265 25.942 -30.700 1.00 0.00 C ATOM 0 H LEU A 11 -27.452 30.181 -30.616 1.00 0.00 H new ATOM 0 HA LEU A 11 -29.954 28.835 -30.531 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -29.541 26.879 -31.712 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -28.912 28.111 -32.787 1.00 0.00 H new ATOM 0 HG LEU A 11 -27.381 26.289 -32.801 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -25.312 27.334 -31.968 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -26.352 28.507 -32.810 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -26.281 28.496 -31.032 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -26.306 25.428 -30.758 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -27.315 26.514 -29.774 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -28.071 25.209 -30.717 1.00 0.00 H new ATOM 138 N PRO A 12 -29.075 27.549 -28.561 1.00 0.00 N ATOM 139 CA PRO A 12 -28.609 27.001 -27.284 1.00 0.00 C ATOM 140 C PRO A 12 -27.742 25.760 -27.467 1.00 0.00 C ATOM 141 O PRO A 12 -28.044 24.874 -28.267 1.00 0.00 O ATOM 142 CB PRO A 12 -29.908 26.642 -26.557 1.00 0.00 C ATOM 143 CG PRO A 12 -30.901 26.417 -27.644 1.00 0.00 C ATOM 144 CD PRO A 12 -30.523 27.360 -28.753 1.00 0.00 C ATOM 0 HA PRO A 12 -27.982 27.709 -26.742 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -29.784 25.750 -25.943 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -30.224 27.445 -25.892 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -30.877 25.382 -27.986 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -31.914 26.613 -27.293 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -30.747 26.938 -29.733 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -31.065 28.303 -28.681 1.00 0.00 H new ATOM 152 N PRO A 13 -26.637 25.692 -26.710 1.00 0.00 N ATOM 153 CA PRO A 13 -25.704 24.564 -26.770 1.00 0.00 C ATOM 154 C PRO A 13 -26.300 23.287 -26.188 1.00 0.00 C ATOM 155 O PRO A 13 -27.468 23.255 -25.803 1.00 0.00 O ATOM 156 CB PRO A 13 -24.520 25.036 -25.923 1.00 0.00 C ATOM 157 CG PRO A 13 -25.102 26.035 -24.983 1.00 0.00 C ATOM 158 CD PRO A 13 -26.214 26.712 -25.735 1.00 0.00 C ATOM 0 HA PRO A 13 -25.437 24.311 -27.796 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -24.062 24.206 -25.385 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -23.742 25.482 -26.543 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -25.479 25.550 -24.082 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -24.349 26.757 -24.666 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -27.031 26.998 -25.073 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -25.870 27.621 -26.228 1.00 0.00 H new ATOM 166 N VAL A 14 -25.489 22.235 -26.127 1.00 0.00 N ATOM 167 CA VAL A 14 -25.936 20.955 -25.590 1.00 0.00 C ATOM 168 C VAL A 14 -24.859 20.318 -24.720 1.00 0.00 C ATOM 169 O VAL A 14 -23.667 20.563 -24.908 1.00 0.00 O ATOM 170 CB VAL A 14 -26.316 19.976 -26.717 1.00 0.00 C ATOM 171 CG1 VAL A 14 -25.089 19.598 -27.532 1.00 0.00 C ATOM 172 CG2 VAL A 14 -26.987 18.737 -26.142 1.00 0.00 C ATOM 0 H VAL A 14 -24.519 22.244 -26.443 1.00 0.00 H new ATOM 0 HA VAL A 14 -26.818 21.157 -24.982 1.00 0.00 H new ATOM 0 HB VAL A 14 -27.025 20.470 -27.381 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -25.377 18.906 -28.323 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -24.656 20.495 -27.974 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -24.354 19.122 -26.883 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -27.249 18.056 -26.952 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -26.303 18.238 -25.455 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -27.891 19.028 -25.606 1.00 0.00 H new ATOM 182 N LYS A 15 -25.285 19.498 -23.766 1.00 0.00 N ATOM 183 CA LYS A 15 -24.358 18.822 -22.866 1.00 0.00 C ATOM 184 C LYS A 15 -24.950 17.511 -22.358 1.00 0.00 C ATOM 185 O LYS A 15 -26.169 17.347 -22.311 1.00 0.00 O ATOM 186 CB LYS A 15 -24.012 19.729 -21.683 1.00 0.00 C ATOM 187 CG LYS A 15 -25.196 20.032 -20.781 1.00 0.00 C ATOM 188 CD LYS A 15 -25.018 21.353 -20.051 1.00 0.00 C ATOM 189 CE LYS A 15 -26.352 21.918 -19.589 1.00 0.00 C ATOM 190 NZ LYS A 15 -26.222 23.320 -19.103 1.00 0.00 N ATOM 0 H LYS A 15 -26.268 19.285 -23.596 1.00 0.00 H new ATOM 0 HA LYS A 15 -23.449 18.598 -23.423 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -23.227 19.257 -21.092 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -23.605 20.667 -22.062 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -26.109 20.064 -21.376 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -25.317 19.228 -20.055 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -24.365 21.209 -19.190 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -24.526 22.070 -20.708 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -27.066 21.884 -20.412 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -26.755 21.293 -18.792 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -27.153 23.669 -18.797 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -25.560 23.349 -18.301 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -25.862 23.922 -19.871 1.00 0.00 H new ATOM 204 N ALA A 16 -24.080 16.582 -21.978 1.00 0.00 N ATOM 205 CA ALA A 16 -24.517 15.287 -21.471 1.00 0.00 C ATOM 206 C ALA A 16 -23.616 14.808 -20.338 1.00 0.00 C ATOM 207 O ALA A 16 -22.408 14.637 -20.504 1.00 0.00 O ATOM 208 CB ALA A 16 -24.544 14.262 -22.595 1.00 0.00 C ATOM 0 H ALA A 16 -23.068 16.702 -22.012 1.00 0.00 H new ATOM 0 HA ALA A 16 -25.526 15.402 -21.074 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -24.872 13.300 -22.202 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -25.235 14.591 -23.371 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -23.545 14.159 -23.018 1.00 0.00 H new ATOM 214 N PRO A 17 -24.214 14.588 -19.158 1.00 0.00 N ATOM 215 CA PRO A 17 -23.483 14.126 -17.974 1.00 0.00 C ATOM 216 C PRO A 17 -23.006 12.684 -18.113 1.00 0.00 C ATOM 217 O PRO A 17 -23.329 12.004 -19.088 1.00 0.00 O ATOM 218 CB PRO A 17 -24.517 14.241 -16.852 1.00 0.00 C ATOM 219 CG PRO A 17 -25.835 14.136 -17.538 1.00 0.00 C ATOM 220 CD PRO A 17 -25.650 14.771 -18.889 1.00 0.00 C ATOM 0 HA PRO A 17 -22.578 14.709 -17.800 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -24.390 13.448 -16.115 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -24.421 15.188 -16.321 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -26.143 13.095 -17.635 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -26.613 14.647 -16.970 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -26.266 14.288 -19.648 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -25.926 15.825 -18.879 1.00 0.00 H new ATOM 228 N LEU A 18 -22.237 12.224 -17.133 1.00 0.00 N ATOM 229 CA LEU A 18 -21.715 10.861 -17.146 1.00 0.00 C ATOM 230 C LEU A 18 -22.045 10.140 -15.843 1.00 0.00 C ATOM 231 O LEU A 18 -22.226 10.771 -14.802 1.00 0.00 O ATOM 232 CB LEU A 18 -20.201 10.876 -17.365 1.00 0.00 C ATOM 233 CG LEU A 18 -19.715 11.555 -18.646 1.00 0.00 C ATOM 234 CD1 LEU A 18 -18.205 11.731 -18.616 1.00 0.00 C ATOM 235 CD2 LEU A 18 -20.136 10.753 -19.868 1.00 0.00 C ATOM 0 H LEU A 18 -21.961 12.774 -16.319 1.00 0.00 H new ATOM 0 HA LEU A 18 -22.189 10.324 -17.967 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -19.736 11.374 -16.514 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -19.844 9.846 -17.365 1.00 0.00 H new ATOM 0 HG LEU A 18 -20.174 12.541 -18.708 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -17.877 12.216 -19.535 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -17.928 12.348 -17.761 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -17.727 10.755 -18.530 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -19.781 11.251 -20.770 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -19.706 9.753 -19.813 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -21.223 10.679 -19.898 1.00 0.00 H new ATOM 247 N GLN A 19 -22.118 8.814 -15.909 1.00 0.00 N ATOM 248 CA GLN A 19 -22.424 8.008 -14.733 1.00 0.00 C ATOM 249 C GLN A 19 -21.150 7.628 -13.987 1.00 0.00 C ATOM 250 O GLN A 19 -20.531 6.602 -14.274 1.00 0.00 O ATOM 251 CB GLN A 19 -23.187 6.745 -15.140 1.00 0.00 C ATOM 252 CG GLN A 19 -22.405 5.837 -16.074 1.00 0.00 C ATOM 253 CD GLN A 19 -23.305 4.988 -16.951 1.00 0.00 C ATOM 254 OE1 GLN A 19 -24.531 5.090 -16.886 1.00 0.00 O ATOM 255 NE2 GLN A 19 -22.701 4.144 -17.779 1.00 0.00 N ATOM 0 H GLN A 19 -21.970 8.276 -16.763 1.00 0.00 H new ATOM 0 HA GLN A 19 -23.049 8.604 -14.067 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -23.454 6.187 -14.243 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -24.120 7.034 -15.624 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -21.756 6.444 -16.706 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -21.759 5.186 -15.485 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -21.683 4.092 -17.801 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -23.255 3.548 -18.394 1.00 0.00 H new ATOM 264 N THR A 20 -20.761 8.461 -13.027 1.00 0.00 N ATOM 265 CA THR A 20 -19.560 8.214 -12.240 1.00 0.00 C ATOM 266 C THR A 20 -19.825 8.418 -10.753 1.00 0.00 C ATOM 267 O THR A 20 -19.704 9.529 -10.237 1.00 0.00 O ATOM 268 CB THR A 20 -18.404 9.135 -12.675 1.00 0.00 C ATOM 269 OG1 THR A 20 -18.852 10.494 -12.724 1.00 0.00 O ATOM 270 CG2 THR A 20 -17.867 8.723 -14.037 1.00 0.00 C ATOM 0 H THR A 20 -21.261 9.314 -12.776 1.00 0.00 H new ATOM 0 HA THR A 20 -19.275 7.177 -12.416 1.00 0.00 H new ATOM 0 HB THR A 20 -17.601 9.044 -11.943 1.00 0.00 H new ATOM 0 HG1 THR A 20 -19.326 10.712 -11.894 1.00 0.00 H new ATOM 0 HG21 THR A 20 -17.052 9.388 -14.323 1.00 0.00 H new ATOM 0 HG22 THR A 20 -17.499 7.698 -13.988 1.00 0.00 H new ATOM 0 HG23 THR A 20 -18.664 8.788 -14.777 1.00 0.00 H new ATOM 278 N LYS A 21 -20.186 7.338 -10.068 1.00 0.00 N ATOM 279 CA LYS A 21 -20.466 7.397 -8.638 1.00 0.00 C ATOM 280 C LYS A 21 -19.746 6.276 -7.896 1.00 0.00 C ATOM 281 O LYS A 21 -20.160 5.118 -7.945 1.00 0.00 O ATOM 282 CB LYS A 21 -21.973 7.302 -8.389 1.00 0.00 C ATOM 283 CG LYS A 21 -22.382 7.684 -6.977 1.00 0.00 C ATOM 284 CD LYS A 21 -23.892 7.774 -6.838 1.00 0.00 C ATOM 285 CE LYS A 21 -24.414 9.128 -7.295 1.00 0.00 C ATOM 286 NZ LYS A 21 -24.759 9.130 -8.743 1.00 0.00 N ATOM 0 H LYS A 21 -20.292 6.411 -10.480 1.00 0.00 H new ATOM 0 HA LYS A 21 -20.101 8.352 -8.260 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -22.491 7.950 -9.096 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -22.302 6.283 -8.590 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -21.994 6.947 -6.273 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -21.934 8.642 -6.714 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -24.360 6.985 -7.426 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -24.173 7.606 -5.798 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -25.296 9.393 -6.711 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -23.661 9.892 -7.100 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -24.159 9.818 -9.242 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -24.600 8.181 -9.139 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -25.758 9.392 -8.861 1.00 0.00 H new ATOM 300 N LYS A 22 -18.666 6.628 -7.206 1.00 0.00 N ATOM 301 CA LYS A 22 -17.889 5.653 -6.450 1.00 0.00 C ATOM 302 C LYS A 22 -16.992 6.346 -5.429 1.00 0.00 C ATOM 303 O LYS A 22 -16.450 7.420 -5.691 1.00 0.00 O ATOM 304 CB LYS A 22 -17.039 4.803 -7.397 1.00 0.00 C ATOM 305 CG LYS A 22 -16.821 3.382 -6.908 1.00 0.00 C ATOM 306 CD LYS A 22 -16.678 2.409 -8.067 1.00 0.00 C ATOM 307 CE LYS A 22 -17.126 1.009 -7.678 1.00 0.00 C ATOM 308 NZ LYS A 22 -16.345 0.477 -6.527 1.00 0.00 N ATOM 0 H LYS A 22 -18.309 7.582 -7.155 1.00 0.00 H new ATOM 0 HA LYS A 22 -18.585 5.006 -5.916 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -17.520 4.772 -8.375 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -16.070 5.284 -7.533 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -15.926 3.343 -6.287 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -17.659 3.080 -6.279 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -17.270 2.760 -8.913 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -15.639 2.382 -8.394 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -18.185 1.025 -7.422 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -17.014 0.341 -8.532 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -16.633 -0.504 -6.336 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -15.331 0.502 -6.755 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -16.525 1.061 -5.686 1.00 0.00 H new ATOM 322 N LYS A 23 -16.839 5.724 -4.265 1.00 0.00 N ATOM 323 CA LYS A 23 -16.005 6.279 -3.205 1.00 0.00 C ATOM 324 C LYS A 23 -14.536 5.940 -3.434 1.00 0.00 C ATOM 325 O LYS A 23 -13.853 5.456 -2.531 1.00 0.00 O ATOM 326 CB LYS A 23 -16.456 5.746 -1.842 1.00 0.00 C ATOM 327 CG LYS A 23 -16.404 4.232 -1.734 1.00 0.00 C ATOM 328 CD LYS A 23 -17.063 3.742 -0.456 1.00 0.00 C ATOM 329 CE LYS A 23 -16.197 4.024 0.762 1.00 0.00 C ATOM 330 NZ LYS A 23 -16.297 5.445 1.196 1.00 0.00 N ATOM 0 H LYS A 23 -17.282 4.835 -4.032 1.00 0.00 H new ATOM 0 HA LYS A 23 -16.116 7.363 -3.220 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -15.826 6.179 -1.065 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -17.475 6.081 -1.649 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -16.903 3.787 -2.595 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -15.366 3.900 -1.760 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -18.031 4.228 -0.335 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -17.251 2.671 -0.530 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -16.499 3.372 1.581 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -15.158 3.787 0.532 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -15.426 5.950 0.934 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -17.111 5.894 0.730 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -16.424 5.485 2.227 1.00 0.00 H new ATOM 344 N ILE A 24 -14.056 6.200 -4.646 1.00 0.00 N ATOM 345 CA ILE A 24 -12.667 5.924 -4.992 1.00 0.00 C ATOM 346 C ILE A 24 -11.979 7.171 -5.537 1.00 0.00 C ATOM 347 O ILE A 24 -12.461 7.796 -6.481 1.00 0.00 O ATOM 348 CB ILE A 24 -12.559 4.795 -6.034 1.00 0.00 C ATOM 349 CG1 ILE A 24 -13.162 3.502 -5.481 1.00 0.00 C ATOM 350 CG2 ILE A 24 -11.107 4.581 -6.434 1.00 0.00 C ATOM 351 CD1 ILE A 24 -12.999 2.316 -6.405 1.00 0.00 C ATOM 0 H ILE A 24 -14.608 6.601 -5.404 1.00 0.00 H new ATOM 0 HA ILE A 24 -12.170 5.608 -4.075 1.00 0.00 H new ATOM 0 HB ILE A 24 -13.121 5.085 -6.922 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -12.694 3.273 -4.523 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -14.223 3.659 -5.288 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -11.047 3.780 -7.171 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -10.709 5.500 -6.864 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -10.524 4.309 -5.554 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -13.450 1.435 -5.949 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -13.491 2.525 -7.355 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -11.939 2.133 -6.578 1.00 0.00 H new ATOM 363 N MET A 25 -10.848 7.527 -4.935 1.00 0.00 N ATOM 364 CA MET A 25 -10.092 8.698 -5.363 1.00 0.00 C ATOM 365 C MET A 25 -8.610 8.365 -5.506 1.00 0.00 C ATOM 366 O MET A 25 -7.918 8.922 -6.359 1.00 0.00 O ATOM 367 CB MET A 25 -10.275 9.843 -4.364 1.00 0.00 C ATOM 368 CG MET A 25 -9.875 9.479 -2.944 1.00 0.00 C ATOM 369 SD MET A 25 -9.632 10.929 -1.899 1.00 0.00 S ATOM 370 CE MET A 25 -9.108 10.159 -0.369 1.00 0.00 C ATOM 0 H MET A 25 -10.436 7.022 -4.151 1.00 0.00 H new ATOM 0 HA MET A 25 -10.472 9.010 -6.336 1.00 0.00 H new ATOM 0 HB2 MET A 25 -9.684 10.698 -4.692 1.00 0.00 H new ATOM 0 HB3 MET A 25 -11.319 10.156 -4.370 1.00 0.00 H new ATOM 0 HG2 MET A 25 -10.645 8.844 -2.505 1.00 0.00 H new ATOM 0 HG3 MET A 25 -8.955 8.895 -2.968 1.00 0.00 H new ATOM 0 HE1 MET A 25 -8.918 10.929 0.379 1.00 0.00 H new ATOM 0 HE2 MET A 25 -9.891 9.490 -0.011 1.00 0.00 H new ATOM 0 HE3 MET A 25 -8.195 9.589 -0.543 1.00 0.00 H new ATOM 380 N LYS A 26 -8.129 7.455 -4.667 1.00 0.00 N ATOM 381 CA LYS A 26 -6.729 7.047 -4.700 1.00 0.00 C ATOM 382 C LYS A 26 -6.475 6.067 -5.842 1.00 0.00 C ATOM 383 O LYS A 26 -7.396 5.405 -6.321 1.00 0.00 O ATOM 384 CB LYS A 26 -6.331 6.407 -3.368 1.00 0.00 C ATOM 385 CG LYS A 26 -6.697 4.937 -3.265 1.00 0.00 C ATOM 386 CD LYS A 26 -6.778 4.482 -1.818 1.00 0.00 C ATOM 387 CE LYS A 26 -8.096 4.892 -1.178 1.00 0.00 C ATOM 388 NZ LYS A 26 -8.334 4.179 0.107 1.00 0.00 N ATOM 0 H LYS A 26 -8.688 6.985 -3.955 1.00 0.00 H new ATOM 0 HA LYS A 26 -6.121 7.937 -4.865 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -5.255 6.515 -3.230 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -6.813 6.950 -2.555 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -7.655 4.765 -3.756 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -5.955 4.339 -3.794 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -6.670 3.398 -1.770 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -5.950 4.910 -1.254 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -8.095 5.968 -1.002 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -8.915 4.683 -1.867 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -9.308 4.354 0.426 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -8.193 3.158 -0.031 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -7.667 4.527 0.826 1.00 0.00 H new ATOM 402 N HIS A 27 -5.220 5.980 -6.272 1.00 0.00 N ATOM 403 CA HIS A 27 -4.845 5.079 -7.356 1.00 0.00 C ATOM 404 C HIS A 27 -3.328 4.983 -7.482 1.00 0.00 C ATOM 405 O HIS A 27 -2.601 5.882 -7.057 1.00 0.00 O ATOM 406 CB HIS A 27 -5.448 5.558 -8.677 1.00 0.00 C ATOM 407 CG HIS A 27 -5.320 7.035 -8.893 1.00 0.00 C ATOM 408 ND1 HIS A 27 -6.399 7.854 -9.150 1.00 0.00 N ATOM 409 CD2 HIS A 27 -4.232 7.839 -8.888 1.00 0.00 C ATOM 410 CE1 HIS A 27 -5.980 9.098 -9.296 1.00 0.00 C ATOM 411 NE2 HIS A 27 -4.668 9.116 -9.141 1.00 0.00 N ATOM 0 H HIS A 27 -4.446 6.522 -5.887 1.00 0.00 H new ATOM 0 HA HIS A 27 -5.237 4.089 -7.124 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -4.961 5.035 -9.500 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -6.503 5.285 -8.706 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -3.210 7.533 -8.717 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -6.603 9.954 -9.506 1.00 0.00 H new ATOM 0 HE2 HIS A 27 -4.075 9.944 -9.200 1.00 0.00 H new ATOM 419 N CYS A 28 -2.855 3.887 -8.066 1.00 0.00 N ATOM 420 CA CYS A 28 -1.425 3.671 -8.247 1.00 0.00 C ATOM 421 C CYS A 28 -0.703 4.993 -8.496 1.00 0.00 C ATOM 422 O CYS A 28 -1.218 5.872 -9.187 1.00 0.00 O ATOM 423 CB CYS A 28 -1.176 2.713 -9.413 1.00 0.00 C ATOM 424 SG CYS A 28 0.570 2.235 -9.622 1.00 0.00 S ATOM 0 H CYS A 28 -3.443 3.133 -8.422 1.00 0.00 H new ATOM 0 HA CYS A 28 -1.031 3.228 -7.332 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -1.773 1.813 -9.264 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -1.527 3.179 -10.334 1.00 0.00 H new ATOM 429 N PHE A 29 0.492 5.124 -7.930 1.00 0.00 N ATOM 430 CA PHE A 29 1.284 6.337 -8.090 1.00 0.00 C ATOM 431 C PHE A 29 2.238 6.211 -9.275 1.00 0.00 C ATOM 432 O PHE A 29 2.761 7.209 -9.774 1.00 0.00 O ATOM 433 CB PHE A 29 2.075 6.627 -6.813 1.00 0.00 C ATOM 434 CG PHE A 29 3.031 7.778 -6.948 1.00 0.00 C ATOM 435 CD1 PHE A 29 2.609 9.077 -6.717 1.00 0.00 C ATOM 436 CD2 PHE A 29 4.352 7.560 -7.306 1.00 0.00 C ATOM 437 CE1 PHE A 29 3.486 10.138 -6.841 1.00 0.00 C ATOM 438 CE2 PHE A 29 5.234 8.617 -7.431 1.00 0.00 C ATOM 439 CZ PHE A 29 4.801 9.907 -7.198 1.00 0.00 C ATOM 0 H PHE A 29 0.933 4.405 -7.357 1.00 0.00 H new ATOM 0 HA PHE A 29 0.601 7.165 -8.282 1.00 0.00 H new ATOM 0 HB2 PHE A 29 1.377 6.838 -6.003 1.00 0.00 H new ATOM 0 HB3 PHE A 29 2.632 5.734 -6.529 1.00 0.00 H new ATOM 0 HD1 PHE A 29 1.583 9.263 -6.437 1.00 0.00 H new ATOM 0 HD2 PHE A 29 4.696 6.553 -7.489 1.00 0.00 H new ATOM 0 HE1 PHE A 29 3.144 11.146 -6.659 1.00 0.00 H new ATOM 0 HE2 PHE A 29 6.261 8.434 -7.711 1.00 0.00 H new ATOM 0 HZ PHE A 29 5.489 10.734 -7.295 1.00 0.00 H new ATOM 449 N LEU A 30 2.461 4.979 -9.719 1.00 0.00 N ATOM 450 CA LEU A 30 3.352 4.721 -10.845 1.00 0.00 C ATOM 451 C LEU A 30 2.643 4.977 -12.170 1.00 0.00 C ATOM 452 O LEU A 30 2.981 5.912 -12.897 1.00 0.00 O ATOM 453 CB LEU A 30 3.862 3.280 -10.796 1.00 0.00 C ATOM 454 CG LEU A 30 4.903 2.901 -11.850 1.00 0.00 C ATOM 455 CD1 LEU A 30 6.196 3.671 -11.625 1.00 0.00 C ATOM 456 CD2 LEU A 30 5.163 1.402 -11.828 1.00 0.00 C ATOM 0 H LEU A 30 2.037 4.143 -9.317 1.00 0.00 H new ATOM 0 HA LEU A 30 4.199 5.403 -10.770 1.00 0.00 H new ATOM 0 HB2 LEU A 30 4.290 3.101 -9.810 1.00 0.00 H new ATOM 0 HB3 LEU A 30 3.009 2.610 -10.899 1.00 0.00 H new ATOM 0 HG LEU A 30 4.511 3.168 -12.832 1.00 0.00 H new ATOM 0 HD11 LEU A 30 6.925 3.388 -12.385 1.00 0.00 H new ATOM 0 HD12 LEU A 30 5.999 4.741 -11.692 1.00 0.00 H new ATOM 0 HD13 LEU A 30 6.592 3.436 -10.637 1.00 0.00 H new ATOM 0 HD21 LEU A 30 5.906 1.151 -12.585 1.00 0.00 H new ATOM 0 HD22 LEU A 30 5.533 1.111 -10.845 1.00 0.00 H new ATOM 0 HD23 LEU A 30 4.236 0.869 -12.039 1.00 0.00 H new ATOM 468 N CYS A 31 1.656 4.143 -12.478 1.00 0.00 N ATOM 469 CA CYS A 31 0.896 4.279 -13.716 1.00 0.00 C ATOM 470 C CYS A 31 -0.331 5.162 -13.506 1.00 0.00 C ATOM 471 O CYS A 31 -0.599 6.067 -14.295 1.00 0.00 O ATOM 472 CB CYS A 31 0.467 2.903 -14.229 1.00 0.00 C ATOM 473 SG CYS A 31 -0.707 2.036 -13.139 1.00 0.00 S ATOM 0 H CYS A 31 1.363 3.365 -11.887 1.00 0.00 H new ATOM 0 HA CYS A 31 1.539 4.751 -14.459 1.00 0.00 H new ATOM 0 HB2 CYS A 31 0.014 3.019 -15.214 1.00 0.00 H new ATOM 0 HB3 CYS A 31 1.354 2.282 -14.357 1.00 0.00 H new ATOM 478 N GLY A 32 -1.073 4.891 -12.437 1.00 0.00 N ATOM 479 CA GLY A 32 -2.262 5.668 -12.142 1.00 0.00 C ATOM 480 C GLY A 32 -3.534 4.855 -12.277 1.00 0.00 C ATOM 481 O GLY A 32 -4.607 5.404 -12.533 1.00 0.00 O ATOM 0 H GLY A 32 -0.872 4.146 -11.770 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -2.192 6.062 -11.128 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -2.309 6.524 -12.815 1.00 0.00 H new ATOM 485 N LYS A 33 -3.417 3.543 -12.107 1.00 0.00 N ATOM 486 CA LYS A 33 -4.566 2.651 -12.211 1.00 0.00 C ATOM 487 C LYS A 33 -5.444 2.747 -10.967 1.00 0.00 C ATOM 488 O LYS A 33 -4.943 2.792 -9.843 1.00 0.00 O ATOM 489 CB LYS A 33 -4.100 1.207 -12.409 1.00 0.00 C ATOM 490 CG LYS A 33 -5.229 0.192 -12.361 1.00 0.00 C ATOM 491 CD LYS A 33 -4.719 -1.221 -12.588 1.00 0.00 C ATOM 492 CE LYS A 33 -4.487 -1.500 -14.065 1.00 0.00 C ATOM 493 NZ LYS A 33 -5.761 -1.499 -14.836 1.00 0.00 N ATOM 0 H LYS A 33 -2.537 3.073 -11.896 1.00 0.00 H new ATOM 0 HA LYS A 33 -5.156 2.958 -13.075 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -3.591 1.127 -13.370 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -3.369 0.961 -11.639 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -5.729 0.248 -11.394 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -5.973 0.438 -13.119 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -3.789 -1.366 -12.039 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -5.438 -1.937 -12.190 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -3.813 -0.748 -14.475 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -3.994 -2.465 -14.179 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -5.635 -2.039 -15.716 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -6.512 -1.937 -14.266 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -6.027 -0.520 -15.065 1.00 0.00 H new ATOM 507 N LYS A 34 -6.755 2.777 -11.175 1.00 0.00 N ATOM 508 CA LYS A 34 -7.704 2.865 -10.071 1.00 0.00 C ATOM 509 C LYS A 34 -7.541 1.684 -9.119 1.00 0.00 C ATOM 510 O LYS A 34 -7.784 0.535 -9.489 1.00 0.00 O ATOM 511 CB LYS A 34 -9.137 2.908 -10.605 1.00 0.00 C ATOM 512 CG LYS A 34 -9.409 1.892 -11.701 1.00 0.00 C ATOM 513 CD LYS A 34 -10.869 1.473 -11.724 1.00 0.00 C ATOM 514 CE LYS A 34 -11.165 0.543 -12.891 1.00 0.00 C ATOM 515 NZ LYS A 34 -12.457 -0.176 -12.714 1.00 0.00 N ATOM 0 H LYS A 34 -7.186 2.742 -12.099 1.00 0.00 H new ATOM 0 HA LYS A 34 -7.500 3.784 -9.522 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -9.828 2.734 -9.780 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -9.343 3.907 -10.988 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -9.136 2.316 -12.667 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -8.780 1.015 -11.549 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -11.120 0.975 -10.788 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -11.501 2.358 -11.794 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -11.194 1.119 -13.816 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -10.357 -0.182 -12.992 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -12.622 -0.799 -13.530 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -12.421 -0.746 -11.845 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -13.232 0.514 -12.643 1.00 0.00 H new ATOM 529 N THR A 35 -7.128 1.975 -7.889 1.00 0.00 N ATOM 530 CA THR A 35 -6.933 0.938 -6.883 1.00 0.00 C ATOM 531 C THR A 35 -8.001 1.017 -5.798 1.00 0.00 C ATOM 532 O THR A 35 -8.509 -0.005 -5.338 1.00 0.00 O ATOM 533 CB THR A 35 -5.543 1.045 -6.228 1.00 0.00 C ATOM 534 OG1 THR A 35 -5.347 2.364 -5.707 1.00 0.00 O ATOM 535 CG2 THR A 35 -4.446 0.723 -7.232 1.00 0.00 C ATOM 0 H THR A 35 -6.922 2.920 -7.566 1.00 0.00 H new ATOM 0 HA THR A 35 -7.011 -0.020 -7.397 1.00 0.00 H new ATOM 0 HB THR A 35 -5.493 0.322 -5.414 1.00 0.00 H new ATOM 0 HG1 THR A 35 -5.804 2.446 -4.844 1.00 0.00 H new ATOM 0 HG21 THR A 35 -3.473 0.805 -6.747 1.00 0.00 H new ATOM 0 HG22 THR A 35 -4.581 -0.292 -7.605 1.00 0.00 H new ATOM 0 HG23 THR A 35 -4.497 1.425 -8.064 1.00 0.00 H new ATOM 543 N GLY A 36 -8.338 2.237 -5.393 1.00 0.00 N ATOM 544 CA GLY A 36 -9.344 2.426 -4.364 1.00 0.00 C ATOM 545 C GLY A 36 -9.038 1.643 -3.103 1.00 0.00 C ATOM 546 O GLY A 36 -7.940 1.741 -2.554 1.00 0.00 O ATOM 0 H GLY A 36 -7.932 3.098 -5.759 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -9.416 3.486 -4.121 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -10.316 2.121 -4.751 1.00 0.00 H new ATOM 550 N LEU A 37 -10.011 0.866 -2.641 1.00 0.00 N ATOM 551 CA LEU A 37 -9.841 0.064 -1.434 1.00 0.00 C ATOM 552 C LEU A 37 -10.078 -1.415 -1.725 1.00 0.00 C ATOM 553 O LEU A 37 -10.678 -2.127 -0.922 1.00 0.00 O ATOM 554 CB LEU A 37 -10.801 0.540 -0.342 1.00 0.00 C ATOM 555 CG LEU A 37 -10.415 0.182 1.094 1.00 0.00 C ATOM 556 CD1 LEU A 37 -9.132 0.895 1.495 1.00 0.00 C ATOM 557 CD2 LEU A 37 -11.544 0.532 2.052 1.00 0.00 C ATOM 0 H LEU A 37 -10.926 0.774 -3.083 1.00 0.00 H new ATOM 0 HA LEU A 37 -8.815 0.188 -1.087 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -10.892 1.624 -0.413 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -11.787 0.124 -0.546 1.00 0.00 H new ATOM 0 HG LEU A 37 -10.241 -0.893 1.147 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -8.873 0.629 2.520 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -8.325 0.595 0.827 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -9.278 1.973 1.426 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -11.252 0.271 3.069 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -11.750 1.601 1.997 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -12.440 -0.025 1.777 1.00 0.00 H new ATOM 569 N ALA A 38 -9.600 -1.869 -2.879 1.00 0.00 N ATOM 570 CA ALA A 38 -9.755 -3.263 -3.274 1.00 0.00 C ATOM 571 C ALA A 38 -8.411 -3.884 -3.639 1.00 0.00 C ATOM 572 O ALA A 38 -8.042 -4.940 -3.124 1.00 0.00 O ATOM 573 CB ALA A 38 -10.725 -3.376 -4.442 1.00 0.00 C ATOM 0 H ALA A 38 -9.102 -1.291 -3.556 1.00 0.00 H new ATOM 0 HA ALA A 38 -10.160 -3.812 -2.424 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -10.831 -4.423 -4.727 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -11.697 -2.980 -4.148 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -10.342 -2.807 -5.289 1.00 0.00 H new ATOM 579 N THR A 39 -7.682 -3.222 -4.532 1.00 0.00 N ATOM 580 CA THR A 39 -6.379 -3.709 -4.967 1.00 0.00 C ATOM 581 C THR A 39 -5.255 -2.836 -4.423 1.00 0.00 C ATOM 582 O THR A 39 -4.083 -3.209 -4.478 1.00 0.00 O ATOM 583 CB THR A 39 -6.281 -3.754 -6.504 1.00 0.00 C ATOM 584 OG1 THR A 39 -5.071 -4.411 -6.898 1.00 0.00 O ATOM 585 CG2 THR A 39 -6.316 -2.351 -7.090 1.00 0.00 C ATOM 0 H THR A 39 -7.972 -2.347 -4.968 1.00 0.00 H new ATOM 0 HA THR A 39 -6.272 -4.720 -4.573 1.00 0.00 H new ATOM 0 HB THR A 39 -7.137 -4.311 -6.885 1.00 0.00 H new ATOM 0 HG1 THR A 39 -4.507 -4.558 -6.110 1.00 0.00 H new ATOM 0 HG21 THR A 39 -6.245 -2.409 -8.176 1.00 0.00 H new ATOM 0 HG22 THR A 39 -7.251 -1.864 -6.812 1.00 0.00 H new ATOM 0 HG23 THR A 39 -5.477 -1.774 -6.702 1.00 0.00 H new ATOM 593 N SER A 40 -5.619 -1.670 -3.897 1.00 0.00 N ATOM 594 CA SER A 40 -4.640 -0.741 -3.345 1.00 0.00 C ATOM 595 C SER A 40 -3.752 -1.435 -2.317 1.00 0.00 C ATOM 596 O SER A 40 -4.238 -1.968 -1.319 1.00 0.00 O ATOM 597 CB SER A 40 -5.346 0.454 -2.702 1.00 0.00 C ATOM 598 OG SER A 40 -5.960 0.087 -1.480 1.00 0.00 O ATOM 0 H SER A 40 -6.585 -1.347 -3.842 1.00 0.00 H new ATOM 0 HA SER A 40 -4.011 -0.386 -4.162 1.00 0.00 H new ATOM 0 HB2 SER A 40 -4.626 1.253 -2.525 1.00 0.00 H new ATOM 0 HB3 SER A 40 -6.098 0.847 -3.386 1.00 0.00 H new ATOM 0 HG SER A 40 -5.734 -0.842 -1.267 1.00 0.00 H new ATOM 604 N PHE A 41 -2.447 -1.425 -2.567 1.00 0.00 N ATOM 605 CA PHE A 41 -1.490 -2.054 -1.665 1.00 0.00 C ATOM 606 C PHE A 41 -0.492 -1.030 -1.132 1.00 0.00 C ATOM 607 O PHE A 41 -0.450 0.109 -1.594 1.00 0.00 O ATOM 608 CB PHE A 41 -0.747 -3.183 -2.382 1.00 0.00 C ATOM 609 CG PHE A 41 -1.648 -4.283 -2.864 1.00 0.00 C ATOM 610 CD1 PHE A 41 -2.305 -5.104 -1.961 1.00 0.00 C ATOM 611 CD2 PHE A 41 -1.839 -4.497 -4.220 1.00 0.00 C ATOM 612 CE1 PHE A 41 -3.136 -6.117 -2.402 1.00 0.00 C ATOM 613 CE2 PHE A 41 -2.669 -5.508 -4.666 1.00 0.00 C ATOM 614 CZ PHE A 41 -3.317 -6.320 -3.756 1.00 0.00 C ATOM 0 H PHE A 41 -2.028 -0.988 -3.388 1.00 0.00 H new ATOM 0 HA PHE A 41 -2.042 -2.470 -0.822 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -0.206 -2.768 -3.233 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -0.003 -3.604 -1.706 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -2.166 -4.951 -0.901 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -1.333 -3.866 -4.936 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -3.643 -6.749 -1.688 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -2.811 -5.663 -5.725 1.00 0.00 H new ATOM 0 HZ PHE A 41 -3.964 -7.112 -4.103 1.00 0.00 H new ATOM 624 N GLU A 42 0.309 -1.447 -0.156 1.00 0.00 N ATOM 625 CA GLU A 42 1.306 -0.566 0.441 1.00 0.00 C ATOM 626 C GLU A 42 2.714 -1.117 0.233 1.00 0.00 C ATOM 627 O GLU A 42 2.956 -2.313 0.398 1.00 0.00 O ATOM 628 CB GLU A 42 1.032 -0.388 1.936 1.00 0.00 C ATOM 629 CG GLU A 42 1.482 -1.568 2.781 1.00 0.00 C ATOM 630 CD GLU A 42 1.369 -1.297 4.269 1.00 0.00 C ATOM 631 OE1 GLU A 42 2.214 -0.548 4.802 1.00 0.00 O ATOM 632 OE2 GLU A 42 0.434 -1.834 4.900 1.00 0.00 O ATOM 0 H GLU A 42 0.287 -2.388 0.237 1.00 0.00 H new ATOM 0 HA GLU A 42 1.238 0.404 -0.052 1.00 0.00 H new ATOM 0 HB2 GLU A 42 1.538 0.512 2.285 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -0.036 -0.231 2.085 1.00 0.00 H new ATOM 0 HG2 GLU A 42 0.881 -2.441 2.528 1.00 0.00 H new ATOM 0 HG3 GLU A 42 2.516 -1.811 2.537 1.00 0.00 H new ATOM 639 N CYS A 43 3.640 -0.236 -0.132 1.00 0.00 N ATOM 640 CA CYS A 43 5.023 -0.633 -0.365 1.00 0.00 C ATOM 641 C CYS A 43 5.936 -0.090 0.731 1.00 0.00 C ATOM 642 O CYS A 43 5.560 0.817 1.474 1.00 0.00 O ATOM 643 CB CYS A 43 5.496 -0.132 -1.731 1.00 0.00 C ATOM 644 SG CYS A 43 7.149 -0.729 -2.210 1.00 0.00 S ATOM 0 H CYS A 43 3.457 0.758 -0.273 1.00 0.00 H new ATOM 0 HA CYS A 43 5.070 -1.722 -0.348 1.00 0.00 H new ATOM 0 HB2 CYS A 43 4.776 -0.441 -2.489 1.00 0.00 H new ATOM 0 HB3 CYS A 43 5.503 0.958 -1.724 1.00 0.00 H new ATOM 649 N ARG A 44 7.137 -0.652 0.826 1.00 0.00 N ATOM 650 CA ARG A 44 8.103 -0.226 1.831 1.00 0.00 C ATOM 651 C ARG A 44 8.297 1.287 1.792 1.00 0.00 C ATOM 652 O ARG A 44 8.480 1.927 2.827 1.00 0.00 O ATOM 653 CB ARG A 44 9.443 -0.929 1.611 1.00 0.00 C ATOM 654 CG ARG A 44 9.343 -2.446 1.609 1.00 0.00 C ATOM 655 CD ARG A 44 9.440 -3.012 3.018 1.00 0.00 C ATOM 656 NE ARG A 44 8.134 -3.097 3.665 1.00 0.00 N ATOM 657 CZ ARG A 44 7.871 -3.904 4.687 1.00 0.00 C ATOM 658 NH1 ARG A 44 8.820 -4.690 5.176 1.00 0.00 N ATOM 659 NH2 ARG A 44 6.657 -3.925 5.222 1.00 0.00 N ATOM 0 H ARG A 44 7.464 -1.404 0.219 1.00 0.00 H new ATOM 0 HA ARG A 44 7.714 -0.500 2.812 1.00 0.00 H new ATOM 0 HB2 ARG A 44 9.864 -0.600 0.661 1.00 0.00 H new ATOM 0 HB3 ARG A 44 10.138 -0.620 2.392 1.00 0.00 H new ATOM 0 HG2 ARG A 44 8.398 -2.749 1.158 1.00 0.00 H new ATOM 0 HG3 ARG A 44 10.139 -2.864 0.992 1.00 0.00 H new ATOM 0 HD2 ARG A 44 9.891 -4.004 2.980 1.00 0.00 H new ATOM 0 HD3 ARG A 44 10.101 -2.384 3.616 1.00 0.00 H new ATOM 0 HE ARG A 44 7.382 -2.504 3.313 1.00 0.00 H new ATOM 0 HH11 ARG A 44 9.755 -4.676 4.768 1.00 0.00 H new ATOM 0 HH12 ARG A 44 8.616 -5.309 5.961 1.00 0.00 H new ATOM 0 HH21 ARG A 44 5.925 -3.321 4.849 1.00 0.00 H new ATOM 0 HH22 ARG A 44 6.456 -4.545 6.007 1.00 0.00 H new ATOM 673 N CYS A 45 8.257 1.852 0.590 1.00 0.00 N ATOM 674 CA CYS A 45 8.429 3.289 0.414 1.00 0.00 C ATOM 675 C CYS A 45 7.256 4.055 1.019 1.00 0.00 C ATOM 676 O CYS A 45 7.437 5.108 1.628 1.00 0.00 O ATOM 677 CB CYS A 45 8.564 3.629 -1.071 1.00 0.00 C ATOM 678 SG CYS A 45 7.187 3.026 -2.101 1.00 0.00 S ATOM 0 H CYS A 45 8.107 1.336 -0.277 1.00 0.00 H new ATOM 0 HA CYS A 45 9.340 3.587 0.932 1.00 0.00 H new ATOM 0 HB2 CYS A 45 8.638 4.711 -1.180 1.00 0.00 H new ATOM 0 HB3 CYS A 45 9.496 3.207 -1.446 1.00 0.00 H new ATOM 683 N GLY A 46 6.052 3.518 0.844 1.00 0.00 N ATOM 684 CA GLY A 46 4.868 4.164 1.378 1.00 0.00 C ATOM 685 C GLY A 46 3.977 4.731 0.291 1.00 0.00 C ATOM 686 O GLY A 46 3.221 5.673 0.527 1.00 0.00 O ATOM 0 H GLY A 46 5.876 2.648 0.342 1.00 0.00 H new ATOM 0 HA2 GLY A 46 4.301 3.445 1.970 1.00 0.00 H new ATOM 0 HA3 GLY A 46 5.168 4.966 2.052 1.00 0.00 H new ATOM 690 N ASN A 47 4.066 4.157 -0.904 1.00 0.00 N ATOM 691 CA ASN A 47 3.263 4.613 -2.033 1.00 0.00 C ATOM 692 C ASN A 47 2.282 3.531 -2.475 1.00 0.00 C ATOM 693 O ASN A 47 2.648 2.364 -2.604 1.00 0.00 O ATOM 694 CB ASN A 47 4.167 5.006 -3.203 1.00 0.00 C ATOM 695 CG ASN A 47 5.027 6.216 -2.889 1.00 0.00 C ATOM 696 OD1 ASN A 47 4.644 7.072 -2.092 1.00 0.00 O ATOM 697 ND2 ASN A 47 6.194 6.291 -3.517 1.00 0.00 N ATOM 0 H ASN A 47 4.686 3.375 -1.116 1.00 0.00 H new ATOM 0 HA ASN A 47 2.694 5.486 -1.713 1.00 0.00 H new ATOM 0 HB2 ASN A 47 4.810 4.164 -3.461 1.00 0.00 H new ATOM 0 HB3 ASN A 47 3.553 5.218 -4.078 1.00 0.00 H new ATOM 0 HD21 ASN A 47 6.815 7.082 -3.347 1.00 0.00 H new ATOM 0 HD22 ASN A 47 6.470 5.557 -4.170 1.00 0.00 H new ATOM 704 N ASN A 48 1.036 3.929 -2.706 1.00 0.00 N ATOM 705 CA ASN A 48 0.001 2.994 -3.133 1.00 0.00 C ATOM 706 C ASN A 48 0.133 2.680 -4.621 1.00 0.00 C ATOM 707 O ASN A 48 0.056 3.574 -5.464 1.00 0.00 O ATOM 708 CB ASN A 48 -1.387 3.568 -2.842 1.00 0.00 C ATOM 709 CG ASN A 48 -1.886 4.466 -3.958 1.00 0.00 C ATOM 710 OD1 ASN A 48 -1.248 5.461 -4.302 1.00 0.00 O ATOM 711 ND2 ASN A 48 -3.034 4.118 -4.528 1.00 0.00 N ATOM 0 H ASN A 48 0.718 4.893 -2.605 1.00 0.00 H new ATOM 0 HA ASN A 48 0.128 2.069 -2.571 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -2.092 2.750 -2.695 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -1.356 4.133 -1.911 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -3.421 4.684 -5.283 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -3.529 3.285 -4.211 1.00 0.00 H new ATOM 718 N PHE A 49 0.331 1.405 -4.935 1.00 0.00 N ATOM 719 CA PHE A 49 0.473 0.972 -6.321 1.00 0.00 C ATOM 720 C PHE A 49 -0.574 -0.081 -6.672 1.00 0.00 C ATOM 721 O PHE A 49 -1.274 -0.593 -5.798 1.00 0.00 O ATOM 722 CB PHE A 49 1.877 0.412 -6.561 1.00 0.00 C ATOM 723 CG PHE A 49 2.972 1.403 -6.289 1.00 0.00 C ATOM 724 CD1 PHE A 49 3.061 2.576 -7.022 1.00 0.00 C ATOM 725 CD2 PHE A 49 3.914 1.162 -5.302 1.00 0.00 C ATOM 726 CE1 PHE A 49 4.068 3.490 -6.775 1.00 0.00 C ATOM 727 CE2 PHE A 49 4.922 2.072 -5.049 1.00 0.00 C ATOM 728 CZ PHE A 49 5.000 3.237 -5.787 1.00 0.00 C ATOM 0 H PHE A 49 0.397 0.653 -4.249 1.00 0.00 H new ATOM 0 HA PHE A 49 0.320 1.839 -6.964 1.00 0.00 H new ATOM 0 HB2 PHE A 49 2.024 -0.463 -5.927 1.00 0.00 H new ATOM 0 HB3 PHE A 49 1.953 0.073 -7.594 1.00 0.00 H new ATOM 0 HD1 PHE A 49 2.335 2.778 -7.795 1.00 0.00 H new ATOM 0 HD2 PHE A 49 3.860 0.252 -4.723 1.00 0.00 H new ATOM 0 HE1 PHE A 49 4.126 4.400 -7.353 1.00 0.00 H new ATOM 0 HE2 PHE A 49 5.648 1.873 -4.275 1.00 0.00 H new ATOM 0 HZ PHE A 49 5.788 3.949 -5.592 1.00 0.00 H new ATOM 738 N CYS A 50 -0.676 -0.398 -7.959 1.00 0.00 N ATOM 739 CA CYS A 50 -1.637 -1.388 -8.428 1.00 0.00 C ATOM 740 C CYS A 50 -1.124 -2.804 -8.182 1.00 0.00 C ATOM 741 O CYS A 50 0.030 -3.000 -7.802 1.00 0.00 O ATOM 742 CB CYS A 50 -1.920 -1.189 -9.919 1.00 0.00 C ATOM 743 SG CYS A 50 -0.442 -1.296 -10.977 1.00 0.00 S ATOM 0 H CYS A 50 -0.105 0.017 -8.695 1.00 0.00 H new ATOM 0 HA CYS A 50 -2.562 -1.253 -7.868 1.00 0.00 H new ATOM 0 HB2 CYS A 50 -2.641 -1.939 -10.244 1.00 0.00 H new ATOM 0 HB3 CYS A 50 -2.387 -0.214 -10.062 1.00 0.00 H new ATOM 748 N ALA A 51 -1.990 -3.788 -8.403 1.00 0.00 N ATOM 749 CA ALA A 51 -1.624 -5.186 -8.207 1.00 0.00 C ATOM 750 C ALA A 51 -0.435 -5.569 -9.081 1.00 0.00 C ATOM 751 O ALA A 51 0.359 -6.438 -8.720 1.00 0.00 O ATOM 752 CB ALA A 51 -2.812 -6.089 -8.504 1.00 0.00 C ATOM 0 H ALA A 51 -2.949 -3.643 -8.718 1.00 0.00 H new ATOM 0 HA ALA A 51 -1.333 -5.317 -7.165 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -2.525 -7.130 -8.354 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -3.635 -5.839 -7.834 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -3.129 -5.946 -9.537 1.00 0.00 H new ATOM 758 N SER A 52 -0.317 -4.915 -10.233 1.00 0.00 N ATOM 759 CA SER A 52 0.773 -5.191 -11.161 1.00 0.00 C ATOM 760 C SER A 52 2.063 -4.520 -10.698 1.00 0.00 C ATOM 761 O SER A 52 3.159 -5.039 -10.916 1.00 0.00 O ATOM 762 CB SER A 52 0.410 -4.709 -12.566 1.00 0.00 C ATOM 763 OG SER A 52 1.269 -5.278 -13.539 1.00 0.00 O ATOM 0 H SER A 52 -0.963 -4.190 -10.545 1.00 0.00 H new ATOM 0 HA SER A 52 0.932 -6.269 -11.185 1.00 0.00 H new ATOM 0 HB2 SER A 52 -0.623 -4.974 -12.789 1.00 0.00 H new ATOM 0 HB3 SER A 52 0.476 -3.622 -12.609 1.00 0.00 H new ATOM 0 HG SER A 52 1.015 -4.955 -14.429 1.00 0.00 H new ATOM 769 N HIS A 53 1.924 -3.364 -10.058 1.00 0.00 N ATOM 770 CA HIS A 53 3.078 -2.621 -9.564 1.00 0.00 C ATOM 771 C HIS A 53 3.059 -2.538 -8.040 1.00 0.00 C ATOM 772 O HIS A 53 3.643 -1.629 -7.451 1.00 0.00 O ATOM 773 CB HIS A 53 3.099 -1.214 -10.162 1.00 0.00 C ATOM 774 CG HIS A 53 2.921 -1.192 -11.649 1.00 0.00 C ATOM 775 ND1 HIS A 53 2.357 -0.130 -12.324 1.00 0.00 N ATOM 776 CD2 HIS A 53 3.238 -2.110 -12.592 1.00 0.00 C ATOM 777 CE1 HIS A 53 2.333 -0.397 -13.618 1.00 0.00 C ATOM 778 NE2 HIS A 53 2.863 -1.592 -13.807 1.00 0.00 N ATOM 0 H HIS A 53 1.025 -2.921 -9.869 1.00 0.00 H new ATOM 0 HA HIS A 53 3.979 -3.152 -9.871 1.00 0.00 H new ATOM 0 HB2 HIS A 53 2.309 -0.621 -9.701 1.00 0.00 H new ATOM 0 HB3 HIS A 53 4.046 -0.735 -9.911 1.00 0.00 H new ATOM 0 HD2 HIS A 53 3.700 -3.071 -12.421 1.00 0.00 H new ATOM 0 HE1 HIS A 53 1.946 0.252 -14.390 1.00 0.00 H new ATOM 0 HE2 HIS A 53 2.975 -2.055 -14.709 1.00 0.00 H new ATOM 786 N ARG A 54 2.383 -3.493 -7.409 1.00 0.00 N ATOM 787 CA ARG A 54 2.286 -3.527 -5.955 1.00 0.00 C ATOM 788 C ARG A 54 3.627 -3.899 -5.329 1.00 0.00 C ATOM 789 O ARG A 54 3.902 -3.560 -4.178 1.00 0.00 O ATOM 790 CB ARG A 54 1.213 -4.525 -5.517 1.00 0.00 C ATOM 791 CG ARG A 54 1.619 -5.978 -5.706 1.00 0.00 C ATOM 792 CD ARG A 54 0.472 -6.923 -5.384 1.00 0.00 C ATOM 793 NE ARG A 54 0.947 -8.246 -4.988 1.00 0.00 N ATOM 794 CZ ARG A 54 0.225 -9.104 -4.276 1.00 0.00 C ATOM 795 NH1 ARG A 54 -0.999 -8.779 -3.884 1.00 0.00 N ATOM 796 NH2 ARG A 54 0.727 -10.289 -3.954 1.00 0.00 N ATOM 0 H ARG A 54 1.895 -4.253 -7.882 1.00 0.00 H new ATOM 0 HA ARG A 54 2.008 -2.531 -5.612 1.00 0.00 H new ATOM 0 HB2 ARG A 54 0.979 -4.356 -4.466 1.00 0.00 H new ATOM 0 HB3 ARG A 54 0.300 -4.335 -6.082 1.00 0.00 H new ATOM 0 HG2 ARG A 54 1.944 -6.135 -6.735 1.00 0.00 H new ATOM 0 HG3 ARG A 54 2.470 -6.205 -5.065 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -0.132 -6.500 -4.581 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -0.176 -7.016 -6.255 1.00 0.00 H new ATOM 0 HE ARG A 54 1.885 -8.527 -5.274 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -1.388 -7.869 -4.129 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -1.552 -9.439 -3.337 1.00 0.00 H new ATOM 0 HH21 ARG A 54 1.669 -10.542 -4.253 1.00 0.00 H new ATOM 0 HH22 ARG A 54 0.171 -10.947 -3.407 1.00 0.00 H new ATOM 810 N TYR A 55 4.458 -4.597 -6.095 1.00 0.00 N ATOM 811 CA TYR A 55 5.769 -5.018 -5.615 1.00 0.00 C ATOM 812 C TYR A 55 6.762 -3.860 -5.658 1.00 0.00 C ATOM 813 O TYR A 55 6.565 -2.885 -6.383 1.00 0.00 O ATOM 814 CB TYR A 55 6.293 -6.184 -6.455 1.00 0.00 C ATOM 815 CG TYR A 55 5.228 -7.195 -6.817 1.00 0.00 C ATOM 816 CD1 TYR A 55 4.944 -8.264 -5.976 1.00 0.00 C ATOM 817 CD2 TYR A 55 4.508 -7.082 -8.000 1.00 0.00 C ATOM 818 CE1 TYR A 55 3.973 -9.191 -6.303 1.00 0.00 C ATOM 819 CE2 TYR A 55 3.535 -8.003 -8.334 1.00 0.00 C ATOM 820 CZ TYR A 55 3.271 -9.056 -7.483 1.00 0.00 C ATOM 821 OH TYR A 55 2.303 -9.977 -7.813 1.00 0.00 O ATOM 0 H TYR A 55 4.247 -4.883 -7.051 1.00 0.00 H new ATOM 0 HA TYR A 55 5.661 -5.344 -4.580 1.00 0.00 H new ATOM 0 HB2 TYR A 55 6.736 -5.791 -7.370 1.00 0.00 H new ATOM 0 HB3 TYR A 55 7.089 -6.688 -5.906 1.00 0.00 H new ATOM 0 HD1 TYR A 55 5.491 -8.372 -5.051 1.00 0.00 H new ATOM 0 HD2 TYR A 55 4.713 -6.260 -8.670 1.00 0.00 H new ATOM 0 HE1 TYR A 55 3.765 -10.017 -5.639 1.00 0.00 H new ATOM 0 HE2 TYR A 55 2.983 -7.899 -9.257 1.00 0.00 H new ATOM 0 HH TYR A 55 1.903 -9.737 -8.675 1.00 0.00 H new ATOM 831 N ALA A 56 7.829 -3.976 -4.875 1.00 0.00 N ATOM 832 CA ALA A 56 8.855 -2.941 -4.824 1.00 0.00 C ATOM 833 C ALA A 56 9.650 -2.892 -6.124 1.00 0.00 C ATOM 834 O ALA A 56 9.739 -1.847 -6.768 1.00 0.00 O ATOM 835 CB ALA A 56 9.785 -3.178 -3.643 1.00 0.00 C ATOM 0 H ALA A 56 8.006 -4.776 -4.267 1.00 0.00 H new ATOM 0 HA ALA A 56 8.360 -1.979 -4.695 1.00 0.00 H new ATOM 0 HB1 ALA A 56 10.546 -2.398 -3.617 1.00 0.00 H new ATOM 0 HB2 ALA A 56 9.210 -3.155 -2.717 1.00 0.00 H new ATOM 0 HB3 ALA A 56 10.266 -4.151 -3.748 1.00 0.00 H new ATOM 841 N GLU A 57 10.227 -4.028 -6.504 1.00 0.00 N ATOM 842 CA GLU A 57 11.015 -4.112 -7.727 1.00 0.00 C ATOM 843 C GLU A 57 10.152 -3.824 -8.952 1.00 0.00 C ATOM 844 O GLU A 57 10.641 -3.326 -9.966 1.00 0.00 O ATOM 845 CB GLU A 57 11.654 -5.497 -7.854 1.00 0.00 C ATOM 846 CG GLU A 57 10.689 -6.640 -7.588 1.00 0.00 C ATOM 847 CD GLU A 57 10.657 -7.048 -6.128 1.00 0.00 C ATOM 848 OE1 GLU A 57 11.743 -7.199 -5.531 1.00 0.00 O ATOM 849 OE2 GLU A 57 9.546 -7.215 -5.582 1.00 0.00 O ATOM 0 H GLU A 57 10.163 -4.902 -5.982 1.00 0.00 H new ATOM 0 HA GLU A 57 11.802 -3.360 -7.674 1.00 0.00 H new ATOM 0 HB2 GLU A 57 12.066 -5.607 -8.857 1.00 0.00 H new ATOM 0 HB3 GLU A 57 12.489 -5.568 -7.157 1.00 0.00 H new ATOM 0 HG2 GLU A 57 9.687 -6.345 -7.901 1.00 0.00 H new ATOM 0 HG3 GLU A 57 10.973 -7.499 -8.195 1.00 0.00 H new ATOM 856 N ALA A 58 8.866 -4.142 -8.850 1.00 0.00 N ATOM 857 CA ALA A 58 7.934 -3.917 -9.948 1.00 0.00 C ATOM 858 C ALA A 58 7.936 -2.454 -10.378 1.00 0.00 C ATOM 859 O ALA A 58 7.817 -2.145 -11.564 1.00 0.00 O ATOM 860 CB ALA A 58 6.531 -4.349 -9.547 1.00 0.00 C ATOM 0 H ALA A 58 8.446 -4.556 -8.018 1.00 0.00 H new ATOM 0 HA ALA A 58 8.259 -4.519 -10.797 1.00 0.00 H new ATOM 0 HB1 ALA A 58 5.846 -4.175 -10.377 1.00 0.00 H new ATOM 0 HB2 ALA A 58 6.535 -5.410 -9.296 1.00 0.00 H new ATOM 0 HB3 ALA A 58 6.206 -3.772 -8.681 1.00 0.00 H new ATOM 866 N HIS A 59 8.071 -1.556 -9.407 1.00 0.00 N ATOM 867 CA HIS A 59 8.088 -0.125 -9.686 1.00 0.00 C ATOM 868 C HIS A 59 9.414 0.496 -9.258 1.00 0.00 C ATOM 869 O HIS A 59 9.454 1.627 -8.774 1.00 0.00 O ATOM 870 CB HIS A 59 6.931 0.570 -8.968 1.00 0.00 C ATOM 871 CG HIS A 59 7.011 0.480 -7.475 1.00 0.00 C ATOM 872 ND1 HIS A 59 6.240 -0.387 -6.730 1.00 0.00 N ATOM 873 CD2 HIS A 59 7.780 1.154 -6.587 1.00 0.00 C ATOM 874 CE1 HIS A 59 6.529 -0.242 -5.450 1.00 0.00 C ATOM 875 NE2 HIS A 59 7.461 0.687 -5.336 1.00 0.00 N ATOM 0 H HIS A 59 8.170 -1.794 -8.420 1.00 0.00 H new ATOM 0 HA HIS A 59 7.973 0.012 -10.761 1.00 0.00 H new ATOM 0 HB2 HIS A 59 6.912 1.620 -9.260 1.00 0.00 H new ATOM 0 HB3 HIS A 59 5.991 0.129 -9.300 1.00 0.00 H new ATOM 0 HD1 HIS A 59 5.553 -1.039 -7.109 1.00 0.00 H new ATOM 0 HD2 HIS A 59 8.508 1.917 -6.820 1.00 0.00 H new ATOM 0 HE1 HIS A 59 6.080 -0.790 -4.635 1.00 0.00 H new ATOM 883 N GLY A 60 10.498 -0.252 -9.438 1.00 0.00 N ATOM 884 CA GLY A 60 11.811 0.242 -9.064 1.00 0.00 C ATOM 885 C GLY A 60 11.795 0.993 -7.748 1.00 0.00 C ATOM 886 O GLY A 60 12.182 2.160 -7.685 1.00 0.00 O ATOM 0 H GLY A 60 10.491 -1.191 -9.836 1.00 0.00 H new ATOM 0 HA2 GLY A 60 12.504 -0.596 -8.992 1.00 0.00 H new ATOM 0 HA3 GLY A 60 12.186 0.899 -9.849 1.00 0.00 H new ATOM 890 N CYS A 61 11.343 0.324 -6.692 1.00 0.00 N ATOM 891 CA CYS A 61 11.275 0.935 -5.370 1.00 0.00 C ATOM 892 C CYS A 61 12.620 1.543 -4.982 1.00 0.00 C ATOM 893 O CYS A 61 13.674 1.043 -5.373 1.00 0.00 O ATOM 894 CB CYS A 61 10.851 -0.100 -4.327 1.00 0.00 C ATOM 895 SG CYS A 61 10.326 0.617 -2.738 1.00 0.00 S ATOM 0 H CYS A 61 11.018 -0.642 -6.727 1.00 0.00 H new ATOM 0 HA CYS A 61 10.532 1.732 -5.404 1.00 0.00 H new ATOM 0 HB2 CYS A 61 10.033 -0.695 -4.733 1.00 0.00 H new ATOM 0 HB3 CYS A 61 11.683 -0.782 -4.149 1.00 0.00 H new ATOM 900 N ASN A 62 12.574 2.624 -4.211 1.00 0.00 N ATOM 901 CA ASN A 62 13.789 3.300 -3.769 1.00 0.00 C ATOM 902 C ASN A 62 13.827 3.413 -2.248 1.00 0.00 C ATOM 903 O ASN A 62 14.290 4.414 -1.701 1.00 0.00 O ATOM 904 CB ASN A 62 13.879 4.692 -4.398 1.00 0.00 C ATOM 905 CG ASN A 62 15.312 5.163 -4.557 1.00 0.00 C ATOM 906 OD1 ASN A 62 15.737 6.123 -3.915 1.00 0.00 O ATOM 907 ND2 ASN A 62 16.065 4.486 -5.417 1.00 0.00 N ATOM 0 H ASN A 62 11.709 3.051 -3.879 1.00 0.00 H new ATOM 0 HA ASN A 62 14.644 2.706 -4.092 1.00 0.00 H new ATOM 0 HB2 ASN A 62 13.393 4.679 -5.374 1.00 0.00 H new ATOM 0 HB3 ASN A 62 13.332 5.403 -3.779 1.00 0.00 H new ATOM 0 HD21 ASN A 62 17.037 4.756 -5.566 1.00 0.00 H new ATOM 0 HD22 ASN A 62 15.671 3.696 -5.928 1.00 0.00 H new ATOM 914 N TYR A 63 13.337 2.380 -1.572 1.00 0.00 N ATOM 915 CA TYR A 63 13.313 2.364 -0.114 1.00 0.00 C ATOM 916 C TYR A 63 14.354 1.394 0.437 1.00 0.00 C ATOM 917 O TYR A 63 14.683 0.392 -0.198 1.00 0.00 O ATOM 918 CB TYR A 63 11.922 1.976 0.390 1.00 0.00 C ATOM 919 CG TYR A 63 11.892 1.595 1.853 1.00 0.00 C ATOM 920 CD1 TYR A 63 12.430 0.391 2.289 1.00 0.00 C ATOM 921 CD2 TYR A 63 11.327 2.441 2.799 1.00 0.00 C ATOM 922 CE1 TYR A 63 12.404 0.039 3.625 1.00 0.00 C ATOM 923 CE2 TYR A 63 11.297 2.099 4.137 1.00 0.00 C ATOM 924 CZ TYR A 63 11.837 0.896 4.545 1.00 0.00 C ATOM 925 OH TYR A 63 11.810 0.550 5.876 1.00 0.00 O ATOM 0 H TYR A 63 12.951 1.543 -2.010 1.00 0.00 H new ATOM 0 HA TYR A 63 13.554 3.367 0.239 1.00 0.00 H new ATOM 0 HB2 TYR A 63 11.240 2.810 0.227 1.00 0.00 H new ATOM 0 HB3 TYR A 63 11.550 1.140 -0.202 1.00 0.00 H new ATOM 0 HD1 TYR A 63 12.876 -0.282 1.572 1.00 0.00 H new ATOM 0 HD2 TYR A 63 10.904 3.383 2.483 1.00 0.00 H new ATOM 0 HE1 TYR A 63 12.825 -0.902 3.947 1.00 0.00 H new ATOM 0 HE2 TYR A 63 10.854 2.769 4.859 1.00 0.00 H new ATOM 0 HH TYR A 63 11.377 1.263 6.391 1.00 0.00 H new ATOM 935 N ASP A 64 14.869 1.700 1.623 1.00 0.00 N ATOM 936 CA ASP A 64 15.872 0.856 2.262 1.00 0.00 C ATOM 937 C ASP A 64 15.215 -0.323 2.975 1.00 0.00 C ATOM 938 O ASP A 64 14.917 -0.252 4.167 1.00 0.00 O ATOM 939 CB ASP A 64 16.698 1.673 3.256 1.00 0.00 C ATOM 940 CG ASP A 64 17.631 0.809 4.082 1.00 0.00 C ATOM 941 OD1 ASP A 64 17.159 0.192 5.060 1.00 0.00 O ATOM 942 OD2 ASP A 64 18.833 0.748 3.749 1.00 0.00 O ATOM 0 H ASP A 64 14.608 2.526 2.161 1.00 0.00 H new ATOM 0 HA ASP A 64 16.532 0.467 1.487 1.00 0.00 H new ATOM 0 HB2 ASP A 64 17.281 2.417 2.714 1.00 0.00 H new ATOM 0 HB3 ASP A 64 16.027 2.217 3.921 1.00 0.00 H new ATOM 947 N TYR A 65 14.993 -1.404 2.236 1.00 0.00 N ATOM 948 CA TYR A 65 14.369 -2.597 2.797 1.00 0.00 C ATOM 949 C TYR A 65 15.288 -3.807 2.663 1.00 0.00 C ATOM 950 O TYR A 65 16.438 -3.684 2.241 1.00 0.00 O ATOM 951 CB TYR A 65 13.036 -2.875 2.100 1.00 0.00 C ATOM 952 CG TYR A 65 13.137 -2.914 0.592 1.00 0.00 C ATOM 953 CD1 TYR A 65 13.967 -3.828 -0.045 1.00 0.00 C ATOM 954 CD2 TYR A 65 12.402 -2.037 -0.196 1.00 0.00 C ATOM 955 CE1 TYR A 65 14.063 -3.866 -1.423 1.00 0.00 C ATOM 956 CE2 TYR A 65 12.491 -2.069 -1.574 1.00 0.00 C ATOM 957 CZ TYR A 65 13.323 -2.985 -2.183 1.00 0.00 C ATOM 958 OH TYR A 65 13.415 -3.021 -3.555 1.00 0.00 O ATOM 0 H TYR A 65 15.235 -1.479 1.248 1.00 0.00 H new ATOM 0 HA TYR A 65 14.188 -2.418 3.857 1.00 0.00 H new ATOM 0 HB2 TYR A 65 12.642 -3.828 2.454 1.00 0.00 H new ATOM 0 HB3 TYR A 65 12.318 -2.107 2.388 1.00 0.00 H new ATOM 0 HD1 TYR A 65 14.547 -4.521 0.547 1.00 0.00 H new ATOM 0 HD2 TYR A 65 11.750 -1.318 0.277 1.00 0.00 H new ATOM 0 HE1 TYR A 65 14.714 -4.582 -1.902 1.00 0.00 H new ATOM 0 HE2 TYR A 65 11.912 -1.380 -2.171 1.00 0.00 H new ATOM 0 HH TYR A 65 13.617 -3.935 -3.845 1.00 0.00 H new ATOM 968 N LYS A 66 14.772 -4.976 3.025 1.00 0.00 N ATOM 969 CA LYS A 66 15.544 -6.211 2.944 1.00 0.00 C ATOM 970 C LYS A 66 16.568 -6.140 1.817 1.00 0.00 C ATOM 971 O LYS A 66 16.215 -5.936 0.656 1.00 0.00 O ATOM 972 CB LYS A 66 14.612 -7.405 2.726 1.00 0.00 C ATOM 973 CG LYS A 66 15.230 -8.738 3.113 1.00 0.00 C ATOM 974 CD LYS A 66 14.946 -9.084 4.565 1.00 0.00 C ATOM 975 CE LYS A 66 16.066 -8.612 5.479 1.00 0.00 C ATOM 976 NZ LYS A 66 15.919 -9.151 6.860 1.00 0.00 N ATOM 0 H LYS A 66 13.822 -5.095 3.378 1.00 0.00 H new ATOM 0 HA LYS A 66 16.076 -6.340 3.886 1.00 0.00 H new ATOM 0 HB2 LYS A 66 13.701 -7.255 3.305 1.00 0.00 H new ATOM 0 HB3 LYS A 66 14.320 -7.440 1.676 1.00 0.00 H new ATOM 0 HG2 LYS A 66 14.837 -9.523 2.467 1.00 0.00 H new ATOM 0 HG3 LYS A 66 16.307 -8.701 2.951 1.00 0.00 H new ATOM 0 HD2 LYS A 66 14.006 -8.625 4.872 1.00 0.00 H new ATOM 0 HD3 LYS A 66 14.822 -10.162 4.666 1.00 0.00 H new ATOM 0 HE2 LYS A 66 17.026 -8.924 5.068 1.00 0.00 H new ATOM 0 HE3 LYS A 66 16.072 -7.523 5.513 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 16.701 -8.807 7.452 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 15.014 -8.833 7.262 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 15.939 -10.190 6.831 1.00 0.00 H new ATOM 990 N SER A 67 17.839 -6.311 2.167 1.00 0.00 N ATOM 991 CA SER A 67 18.916 -6.264 1.184 1.00 0.00 C ATOM 992 C SER A 67 19.047 -4.866 0.590 1.00 0.00 C ATOM 993 O SER A 67 19.194 -4.706 -0.622 1.00 0.00 O ATOM 994 CB SER A 67 18.663 -7.283 0.071 1.00 0.00 C ATOM 995 OG SER A 67 19.801 -7.420 -0.762 1.00 0.00 O ATOM 0 H SER A 67 18.148 -6.483 3.124 1.00 0.00 H new ATOM 0 HA SER A 67 19.849 -6.514 1.690 1.00 0.00 H new ATOM 0 HB2 SER A 67 18.410 -8.249 0.508 1.00 0.00 H new ATOM 0 HB3 SER A 67 17.807 -6.969 -0.526 1.00 0.00 H new ATOM 0 HG SER A 67 20.075 -6.538 -1.090 1.00 0.00 H new ATOM 1001 N ALA A 68 18.994 -3.856 1.452 1.00 0.00 N ATOM 1002 CA ALA A 68 19.110 -2.470 1.013 1.00 0.00 C ATOM 1003 C ALA A 68 20.527 -1.947 1.215 1.00 0.00 C ATOM 1004 O ALA A 68 21.093 -1.301 0.334 1.00 0.00 O ATOM 1005 CB ALA A 68 18.111 -1.596 1.758 1.00 0.00 C ATOM 0 H ALA A 68 18.872 -3.971 2.458 1.00 0.00 H new ATOM 0 HA ALA A 68 18.886 -2.432 -0.053 1.00 0.00 H new ATOM 0 HB1 ALA A 68 18.208 -0.564 1.421 1.00 0.00 H new ATOM 0 HB2 ALA A 68 17.099 -1.949 1.559 1.00 0.00 H new ATOM 0 HB3 ALA A 68 18.309 -1.648 2.829 1.00 0.00 H new ATOM 1011 N GLY A 69 21.097 -2.229 2.383 1.00 0.00 N ATOM 1012 CA GLY A 69 22.444 -1.778 2.680 1.00 0.00 C ATOM 1013 C GLY A 69 22.465 -0.425 3.363 1.00 0.00 C ATOM 1014 O GLY A 69 22.423 -0.341 4.590 1.00 0.00 O ATOM 0 H GLY A 69 20.650 -2.762 3.129 1.00 0.00 H new ATOM 0 HA2 GLY A 69 22.937 -2.511 3.318 1.00 0.00 H new ATOM 0 HA3 GLY A 69 23.018 -1.724 1.755 1.00 0.00 H new ATOM 1018 N ARG A 70 22.533 0.637 2.567 1.00 0.00 N ATOM 1019 CA ARG A 70 22.563 1.993 3.102 1.00 0.00 C ATOM 1020 C ARG A 70 22.316 3.019 2.000 1.00 0.00 C ATOM 1021 O ARG A 70 22.291 2.679 0.817 1.00 0.00 O ATOM 1022 CB ARG A 70 23.907 2.268 3.778 1.00 0.00 C ATOM 1023 CG ARG A 70 25.077 2.315 2.809 1.00 0.00 C ATOM 1024 CD ARG A 70 26.201 3.195 3.335 1.00 0.00 C ATOM 1025 NE ARG A 70 27.142 2.444 4.161 1.00 0.00 N ATOM 1026 CZ ARG A 70 28.324 2.916 4.544 1.00 0.00 C ATOM 1027 NH1 ARG A 70 28.706 4.132 4.176 1.00 0.00 N ATOM 1028 NH2 ARG A 70 29.125 2.173 5.295 1.00 0.00 N ATOM 0 H ARG A 70 22.568 0.585 1.549 1.00 0.00 H new ATOM 0 HA ARG A 70 21.767 2.082 3.842 1.00 0.00 H new ATOM 0 HB2 ARG A 70 23.849 3.217 4.311 1.00 0.00 H new ATOM 0 HB3 ARG A 70 24.094 1.495 4.523 1.00 0.00 H new ATOM 0 HG2 ARG A 70 25.452 1.306 2.641 1.00 0.00 H new ATOM 0 HG3 ARG A 70 24.738 2.694 1.845 1.00 0.00 H new ATOM 0 HD2 ARG A 70 26.733 3.644 2.496 1.00 0.00 H new ATOM 0 HD3 ARG A 70 25.778 4.013 3.919 1.00 0.00 H new ATOM 0 HE ARG A 70 26.878 1.505 4.461 1.00 0.00 H new ATOM 0 HH11 ARG A 70 28.092 4.706 3.598 1.00 0.00 H new ATOM 0 HH12 ARG A 70 29.613 4.493 4.471 1.00 0.00 H new ATOM 0 HH21 ARG A 70 28.835 1.238 5.580 1.00 0.00 H new ATOM 0 HH22 ARG A 70 30.032 2.537 5.588 1.00 0.00 H new ATOM 1042 N ARG A 71 22.134 4.274 2.397 1.00 0.00 N ATOM 1043 CA ARG A 71 21.888 5.349 1.443 1.00 0.00 C ATOM 1044 C ARG A 71 23.184 6.077 1.098 1.00 0.00 C ATOM 1045 O ARG A 71 23.914 6.520 1.985 1.00 0.00 O ATOM 1046 CB ARG A 71 20.869 6.339 2.010 1.00 0.00 C ATOM 1047 CG ARG A 71 21.290 6.954 3.334 1.00 0.00 C ATOM 1048 CD ARG A 71 20.178 7.801 3.933 1.00 0.00 C ATOM 1049 NE ARG A 71 20.676 8.713 4.959 1.00 0.00 N ATOM 1050 CZ ARG A 71 21.267 9.872 4.689 1.00 0.00 C ATOM 1051 NH1 ARG A 71 21.431 10.258 3.431 1.00 0.00 N ATOM 1052 NH2 ARG A 71 21.694 10.647 5.677 1.00 0.00 N ATOM 0 H ARG A 71 22.152 4.572 3.372 1.00 0.00 H new ATOM 0 HA ARG A 71 21.486 4.907 0.531 1.00 0.00 H new ATOM 0 HB2 ARG A 71 20.706 7.136 1.284 1.00 0.00 H new ATOM 0 HB3 ARG A 71 19.915 5.829 2.143 1.00 0.00 H new ATOM 0 HG2 ARG A 71 21.564 6.164 4.033 1.00 0.00 H new ATOM 0 HG3 ARG A 71 22.177 7.569 3.185 1.00 0.00 H new ATOM 0 HD2 ARG A 71 19.694 8.374 3.143 1.00 0.00 H new ATOM 0 HD3 ARG A 71 19.419 7.149 4.365 1.00 0.00 H new ATOM 0 HE ARG A 71 20.564 8.446 5.937 1.00 0.00 H new ATOM 0 HH11 ARG A 71 21.103 9.665 2.669 1.00 0.00 H new ATOM 0 HH12 ARG A 71 21.885 11.148 3.226 1.00 0.00 H new ATOM 0 HH21 ARG A 71 21.569 10.354 6.646 1.00 0.00 H new ATOM 0 HH22 ARG A 71 22.148 11.536 5.468 1.00 0.00 H new ATOM 1066 N TYR A 72 23.463 6.196 -0.195 1.00 0.00 N ATOM 1067 CA TYR A 72 24.672 6.868 -0.658 1.00 0.00 C ATOM 1068 C TYR A 72 24.357 8.277 -1.151 1.00 0.00 C ATOM 1069 O TYR A 72 24.996 9.248 -0.744 1.00 0.00 O ATOM 1070 CB TYR A 72 25.334 6.060 -1.775 1.00 0.00 C ATOM 1071 CG TYR A 72 25.717 4.657 -1.362 1.00 0.00 C ATOM 1072 CD1 TYR A 72 26.861 4.421 -0.610 1.00 0.00 C ATOM 1073 CD2 TYR A 72 24.935 3.567 -1.724 1.00 0.00 C ATOM 1074 CE1 TYR A 72 27.216 3.141 -0.231 1.00 0.00 C ATOM 1075 CE2 TYR A 72 25.281 2.283 -1.348 1.00 0.00 C ATOM 1076 CZ TYR A 72 26.423 2.075 -0.602 1.00 0.00 C ATOM 1077 OH TYR A 72 26.772 0.799 -0.226 1.00 0.00 O ATOM 0 H TYR A 72 22.869 5.836 -0.942 1.00 0.00 H new ATOM 0 HA TYR A 72 25.361 6.943 0.184 1.00 0.00 H new ATOM 0 HB2 TYR A 72 24.654 6.007 -2.625 1.00 0.00 H new ATOM 0 HB3 TYR A 72 26.226 6.587 -2.113 1.00 0.00 H new ATOM 0 HD1 TYR A 72 27.484 5.253 -0.317 1.00 0.00 H new ATOM 0 HD2 TYR A 72 24.041 3.726 -2.309 1.00 0.00 H new ATOM 0 HE1 TYR A 72 28.110 2.976 0.353 1.00 0.00 H new ATOM 0 HE2 TYR A 72 24.661 1.447 -1.636 1.00 0.00 H new ATOM 0 HH TYR A 72 26.108 0.164 -0.567 1.00 0.00 H new ATOM 1087 N LEU A 73 23.368 8.381 -2.031 1.00 0.00 N ATOM 1088 CA LEU A 73 22.966 9.671 -2.582 1.00 0.00 C ATOM 1089 C LEU A 73 22.950 10.744 -1.498 1.00 0.00 C ATOM 1090 O LEU A 73 22.150 10.685 -0.565 1.00 0.00 O ATOM 1091 CB LEU A 73 21.584 9.563 -3.229 1.00 0.00 C ATOM 1092 CG LEU A 73 21.548 8.968 -4.638 1.00 0.00 C ATOM 1093 CD1 LEU A 73 20.231 8.245 -4.877 1.00 0.00 C ATOM 1094 CD2 LEU A 73 21.759 10.055 -5.681 1.00 0.00 C ATOM 0 H LEU A 73 22.829 7.588 -2.379 1.00 0.00 H new ATOM 0 HA LEU A 73 23.694 9.957 -3.341 1.00 0.00 H new ATOM 0 HB2 LEU A 73 20.949 8.956 -2.584 1.00 0.00 H new ATOM 0 HB3 LEU A 73 21.143 10.559 -3.265 1.00 0.00 H new ATOM 0 HG LEU A 73 22.358 8.244 -4.728 1.00 0.00 H new ATOM 0 HD11 LEU A 73 20.222 7.828 -5.884 1.00 0.00 H new ATOM 0 HD12 LEU A 73 20.121 7.440 -4.150 1.00 0.00 H new ATOM 0 HD13 LEU A 73 19.405 8.948 -4.768 1.00 0.00 H new ATOM 0 HD21 LEU A 73 21.730 9.614 -6.677 1.00 0.00 H new ATOM 0 HD22 LEU A 73 20.970 10.802 -5.592 1.00 0.00 H new ATOM 0 HD23 LEU A 73 22.728 10.529 -5.522 1.00 0.00 H new ATOM 1106 N GLU A 74 23.837 11.725 -1.630 1.00 0.00 N ATOM 1107 CA GLU A 74 23.923 12.812 -0.662 1.00 0.00 C ATOM 1108 C GLU A 74 22.904 13.903 -0.978 1.00 0.00 C ATOM 1109 O GLU A 74 23.129 14.743 -1.849 1.00 0.00 O ATOM 1110 CB GLU A 74 25.334 13.405 -0.651 1.00 0.00 C ATOM 1111 CG GLU A 74 25.519 14.517 0.367 1.00 0.00 C ATOM 1112 CD GLU A 74 25.299 14.046 1.792 1.00 0.00 C ATOM 1113 OE1 GLU A 74 25.974 13.081 2.209 1.00 0.00 O ATOM 1114 OE2 GLU A 74 24.453 14.643 2.490 1.00 0.00 O ATOM 0 H GLU A 74 24.506 11.789 -2.397 1.00 0.00 H new ATOM 0 HA GLU A 74 23.700 12.405 0.324 1.00 0.00 H new ATOM 0 HB2 GLU A 74 26.051 12.611 -0.443 1.00 0.00 H new ATOM 0 HB3 GLU A 74 25.565 13.791 -1.644 1.00 0.00 H new ATOM 0 HG2 GLU A 74 26.525 14.925 0.275 1.00 0.00 H new ATOM 0 HG3 GLU A 74 24.825 15.327 0.145 1.00 0.00 H new ATOM 1121 N GLU A 75 21.783 13.883 -0.264 1.00 0.00 N ATOM 1122 CA GLU A 75 20.729 14.870 -0.469 1.00 0.00 C ATOM 1123 C GLU A 75 19.770 14.896 0.718 1.00 0.00 C ATOM 1124 O GLU A 75 19.104 13.905 1.014 1.00 0.00 O ATOM 1125 CB GLU A 75 19.958 14.565 -1.755 1.00 0.00 C ATOM 1126 CG GLU A 75 18.862 15.572 -2.060 1.00 0.00 C ATOM 1127 CD GLU A 75 18.219 15.342 -3.414 1.00 0.00 C ATOM 1128 OE1 GLU A 75 18.814 15.753 -4.432 1.00 0.00 O ATOM 1129 OE2 GLU A 75 17.120 14.750 -3.456 1.00 0.00 O ATOM 0 H GLU A 75 21.581 13.195 0.461 1.00 0.00 H new ATOM 0 HA GLU A 75 21.197 15.851 -0.558 1.00 0.00 H new ATOM 0 HB2 GLU A 75 20.658 14.538 -2.590 1.00 0.00 H new ATOM 0 HB3 GLU A 75 19.516 13.572 -1.677 1.00 0.00 H new ATOM 0 HG2 GLU A 75 18.098 15.517 -1.285 1.00 0.00 H new ATOM 0 HG3 GLU A 75 19.279 16.579 -2.026 1.00 0.00 H new ATOM 1136 N ALA A 76 19.707 16.038 1.395 1.00 0.00 N ATOM 1137 CA ALA A 76 18.830 16.195 2.548 1.00 0.00 C ATOM 1138 C ALA A 76 17.381 15.891 2.181 1.00 0.00 C ATOM 1139 O ALA A 76 16.704 16.710 1.561 1.00 0.00 O ATOM 1140 CB ALA A 76 18.949 17.603 3.114 1.00 0.00 C ATOM 0 H ALA A 76 20.253 16.868 1.164 1.00 0.00 H new ATOM 0 HA ALA A 76 19.142 15.481 3.310 1.00 0.00 H new ATOM 0 HB1 ALA A 76 18.288 17.706 3.975 1.00 0.00 H new ATOM 0 HB2 ALA A 76 19.978 17.785 3.423 1.00 0.00 H new ATOM 0 HB3 ALA A 76 18.666 18.327 2.350 1.00 0.00 H new ATOM 1146 N ASN A 77 16.913 14.710 2.569 1.00 0.00 N ATOM 1147 CA ASN A 77 15.544 14.297 2.279 1.00 0.00 C ATOM 1148 C ASN A 77 14.541 15.235 2.945 1.00 0.00 C ATOM 1149 O ASN A 77 14.544 15.425 4.161 1.00 0.00 O ATOM 1150 CB ASN A 77 15.310 12.862 2.754 1.00 0.00 C ATOM 1151 CG ASN A 77 16.240 11.871 2.080 1.00 0.00 C ATOM 1152 OD1 ASN A 77 17.174 12.258 1.378 1.00 0.00 O ATOM 1153 ND2 ASN A 77 15.987 10.585 2.291 1.00 0.00 N ATOM 0 H ASN A 77 17.461 14.022 3.085 1.00 0.00 H new ATOM 0 HA ASN A 77 15.398 14.343 1.200 1.00 0.00 H new ATOM 0 HB2 ASN A 77 15.451 12.812 3.834 1.00 0.00 H new ATOM 0 HB3 ASN A 77 14.276 12.580 2.554 1.00 0.00 H new ATOM 0 HD21 ASN A 77 16.578 9.872 1.864 1.00 0.00 H new ATOM 0 HD22 ASN A 77 15.201 10.310 2.881 1.00 0.00 H new ATOM 1160 N PRO A 78 13.662 15.836 2.130 1.00 0.00 N ATOM 1161 CA PRO A 78 12.636 16.762 2.617 1.00 0.00 C ATOM 1162 C PRO A 78 11.553 16.056 3.425 1.00 0.00 C ATOM 1163 O PRO A 78 10.528 15.644 2.882 1.00 0.00 O ATOM 1164 CB PRO A 78 12.047 17.348 1.331 1.00 0.00 C ATOM 1165 CG PRO A 78 12.301 16.311 0.292 1.00 0.00 C ATOM 1166 CD PRO A 78 13.600 15.656 0.669 1.00 0.00 C ATOM 0 HA PRO A 78 13.051 17.511 3.292 1.00 0.00 H new ATOM 0 HB2 PRO A 78 10.981 17.548 1.439 1.00 0.00 H new ATOM 0 HB3 PRO A 78 12.524 18.293 1.072 1.00 0.00 H new ATOM 0 HG2 PRO A 78 11.491 15.582 0.262 1.00 0.00 H new ATOM 0 HG3 PRO A 78 12.363 16.759 -0.700 1.00 0.00 H new ATOM 0 HD2 PRO A 78 13.613 14.602 0.393 1.00 0.00 H new ATOM 0 HD3 PRO A 78 14.447 16.127 0.170 1.00 0.00 H new ATOM 1174 N VAL A 79 11.787 15.919 4.727 1.00 0.00 N ATOM 1175 CA VAL A 79 10.830 15.263 5.610 1.00 0.00 C ATOM 1176 C VAL A 79 9.522 16.043 5.680 1.00 0.00 C ATOM 1177 O VAL A 79 9.508 17.222 6.034 1.00 0.00 O ATOM 1178 CB VAL A 79 11.397 15.106 7.034 1.00 0.00 C ATOM 1179 CG1 VAL A 79 11.691 16.467 7.645 1.00 0.00 C ATOM 1180 CG2 VAL A 79 10.434 14.316 7.907 1.00 0.00 C ATOM 0 H VAL A 79 12.631 16.253 5.193 1.00 0.00 H new ATOM 0 HA VAL A 79 10.639 14.275 5.191 1.00 0.00 H new ATOM 0 HB VAL A 79 12.334 14.552 6.974 1.00 0.00 H new ATOM 0 HG11 VAL A 79 12.091 16.336 8.651 1.00 0.00 H new ATOM 0 HG12 VAL A 79 12.422 16.992 7.030 1.00 0.00 H new ATOM 0 HG13 VAL A 79 10.772 17.050 7.693 1.00 0.00 H new ATOM 0 HG21 VAL A 79 10.851 14.215 8.909 1.00 0.00 H new ATOM 0 HG22 VAL A 79 9.480 14.840 7.962 1.00 0.00 H new ATOM 0 HG23 VAL A 79 10.281 13.327 7.476 1.00 0.00 H new ATOM 1190 N SER A 80 8.423 15.377 5.339 1.00 0.00 N ATOM 1191 CA SER A 80 7.109 16.008 5.360 1.00 0.00 C ATOM 1192 C SER A 80 6.008 14.965 5.522 1.00 0.00 C ATOM 1193 O SER A 80 6.090 13.869 4.969 1.00 0.00 O ATOM 1194 CB SER A 80 6.885 16.808 4.075 1.00 0.00 C ATOM 1195 OG SER A 80 7.105 16.005 2.929 1.00 0.00 O ATOM 0 H SER A 80 8.417 14.400 5.045 1.00 0.00 H new ATOM 0 HA SER A 80 7.071 16.685 6.213 1.00 0.00 H new ATOM 0 HB2 SER A 80 5.868 17.199 4.059 1.00 0.00 H new ATOM 0 HB3 SER A 80 7.557 17.666 4.056 1.00 0.00 H new ATOM 0 HG SER A 80 6.954 16.539 2.121 1.00 0.00 H new ATOM 1201 N GLY A 81 4.976 15.316 6.284 1.00 0.00 N ATOM 1202 CA GLY A 81 3.873 14.400 6.506 1.00 0.00 C ATOM 1203 C GLY A 81 2.733 15.040 7.273 1.00 0.00 C ATOM 1204 O GLY A 81 2.864 16.135 7.822 1.00 0.00 O ATOM 0 H GLY A 81 4.885 16.218 6.751 1.00 0.00 H new ATOM 0 HA2 GLY A 81 3.504 14.041 5.545 1.00 0.00 H new ATOM 0 HA3 GLY A 81 4.233 13.530 7.055 1.00 0.00 H new ATOM 1208 N PRO A 82 1.583 14.352 7.317 1.00 0.00 N ATOM 1209 CA PRO A 82 0.393 14.842 8.019 1.00 0.00 C ATOM 1210 C PRO A 82 0.569 14.834 9.533 1.00 0.00 C ATOM 1211 O PRO A 82 0.666 13.774 10.151 1.00 0.00 O ATOM 1212 CB PRO A 82 -0.698 13.851 7.602 1.00 0.00 C ATOM 1213 CG PRO A 82 0.037 12.602 7.258 1.00 0.00 C ATOM 1214 CD PRO A 82 1.356 13.041 6.685 1.00 0.00 C ATOM 0 HA PRO A 82 0.167 15.878 7.765 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -1.409 13.682 8.410 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -1.267 14.223 6.750 1.00 0.00 H new ATOM 0 HG2 PRO A 82 0.183 11.980 8.141 1.00 0.00 H new ATOM 0 HG3 PRO A 82 -0.523 12.006 6.537 1.00 0.00 H new ATOM 0 HD2 PRO A 82 2.152 12.336 6.924 1.00 0.00 H new ATOM 0 HD3 PRO A 82 1.316 13.120 5.599 1.00 0.00 H new ATOM 1222 N SER A 83 0.608 16.023 10.126 1.00 0.00 N ATOM 1223 CA SER A 83 0.776 16.153 11.569 1.00 0.00 C ATOM 1224 C SER A 83 0.125 17.435 12.078 1.00 0.00 C ATOM 1225 O SER A 83 0.394 18.525 11.571 1.00 0.00 O ATOM 1226 CB SER A 83 2.261 16.142 11.934 1.00 0.00 C ATOM 1227 OG SER A 83 2.898 14.975 11.443 1.00 0.00 O ATOM 0 H SER A 83 0.526 16.910 9.630 1.00 0.00 H new ATOM 0 HA SER A 83 0.286 15.303 12.045 1.00 0.00 H new ATOM 0 HB2 SER A 83 2.747 17.026 11.521 1.00 0.00 H new ATOM 0 HB3 SER A 83 2.373 16.193 13.017 1.00 0.00 H new ATOM 0 HG SER A 83 3.847 14.993 11.688 1.00 0.00 H new ATOM 1233 N SER A 84 -0.733 17.297 13.083 1.00 0.00 N ATOM 1234 CA SER A 84 -1.426 18.443 13.660 1.00 0.00 C ATOM 1235 C SER A 84 -1.522 18.313 15.177 1.00 0.00 C ATOM 1236 O SER A 84 -1.277 17.246 15.737 1.00 0.00 O ATOM 1237 CB SER A 84 -2.827 18.574 13.059 1.00 0.00 C ATOM 1238 OG SER A 84 -3.339 19.883 13.239 1.00 0.00 O ATOM 0 H SER A 84 -0.965 16.403 13.515 1.00 0.00 H new ATOM 0 HA SER A 84 -0.852 19.339 13.425 1.00 0.00 H new ATOM 0 HB2 SER A 84 -2.794 18.336 11.996 1.00 0.00 H new ATOM 0 HB3 SER A 84 -3.496 17.851 13.526 1.00 0.00 H new ATOM 0 HG SER A 84 -4.234 19.941 12.845 1.00 0.00 H new ATOM 1244 N GLY A 85 -1.881 19.410 15.837 1.00 0.00 N ATOM 1245 CA GLY A 85 -2.003 19.399 17.283 1.00 0.00 C ATOM 1246 C GLY A 85 -3.327 19.965 17.758 1.00 0.00 C ATOM 1247 O GLY A 85 -4.198 20.226 16.929 1.00 0.00 O ATOM 0 H GLY A 85 -2.089 20.306 15.396 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -1.898 18.376 17.646 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -1.187 19.977 17.718 1.00 0.00 H new TER 1251 GLY A 85 HETATM 1252 ZN ZN A 201 0.399 0.808 -11.505 1.00 0.00 ZN HETATM 1253 ZN ZN A 401 8.105 1.174 -3.157 1.00 0.00 ZN