USER MOD reduce.3.24.130724 H: found=0, std=0, add=448, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 446 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 28 HIS HD1 : A 28 HIS ND1 : A 102 ZNZN :(H bumps) USER MOD Set 1.1: A 41 ASN : amide:sc= -0.34 K(o=-1.3,f=-0.072) USER MOD Set 1.2: A 42 ASN : amide:sc= -0.981 K(o=-1.3,f=-0.072) USER MOD Single : A 1 SER N :NH3+ -144:sc= 0.0207 (180deg=0) USER MOD Single : A 1 SER OG : rot 180:sc= 0.0192 USER MOD Single : A 2 HIS : no HD1:sc= -0.0029 X(o=-0.0029,f=0) USER MOD Single : A 3 MET CE :methyl -128:sc= 0 (180deg=-1.92!) USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 HIS : no HD1:sc= 0 X(o=0,f=-0.00037) USER MOD Single : A 20 SER OG : rot -23:sc= 0.198 USER MOD Single : A 24 GLN : amide:sc= -0.167 X(o=-0.17,f=0) USER MOD Single : A 29 LYS NZ :NH3+ 163:sc= 0.181 (180deg=-0.257) USER MOD Single : A 30 SER OG : rot -90:sc= 1.55 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 37 GLN : amide:sc= -0.406 X(o=-0.41,f=0) USER MOD Single : A 38 HIS : no HE2:sc= -0.0716 K(o=-0.072,f=-3.2!) USER MOD Single : A 40 MET CE :methyl -166:sc= -0.0934 (180deg=-0.389) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0408) USER MOD Single : A 50 THR OG1 : rot 99:sc= 1.2 USER MOD Single : A 51 THR OG1 : rot -40:sc= 0.384 USER MOD Single : A 54 SER OG : rot -103:sc= 0.0684 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 26.631 -4.323 -5.321 1.00 0.00 N ATOM 2 CA SER A 1 25.253 -3.817 -5.221 1.00 0.00 C ATOM 3 C SER A 1 24.379 -4.802 -4.428 1.00 0.00 C ATOM 4 O SER A 1 24.440 -6.018 -4.653 1.00 0.00 O ATOM 5 CB SER A 1 24.683 -3.593 -6.639 1.00 0.00 C ATOM 6 OG SER A 1 24.809 -4.752 -7.449 1.00 0.00 O ATOM 0 H1 SER A 1 27.298 -3.526 -5.272 1.00 0.00 H new ATOM 0 H2 SER A 1 26.818 -4.979 -4.536 1.00 0.00 H new ATOM 0 H3 SER A 1 26.753 -4.821 -6.226 1.00 0.00 H new ATOM 0 HA SER A 1 25.254 -2.866 -4.688 1.00 0.00 H new ATOM 0 HB2 SER A 1 23.632 -3.312 -6.568 1.00 0.00 H new ATOM 0 HB3 SER A 1 25.204 -2.761 -7.112 1.00 0.00 H new ATOM 0 HG SER A 1 24.436 -4.572 -8.337 1.00 0.00 H new ATOM 14 N HIS A 2 23.579 -4.271 -3.488 1.00 0.00 N ATOM 15 CA HIS A 2 22.560 -5.048 -2.755 1.00 0.00 C ATOM 16 C HIS A 2 21.161 -4.591 -3.209 1.00 0.00 C ATOM 17 O HIS A 2 21.038 -3.550 -3.871 1.00 0.00 O ATOM 18 CB HIS A 2 22.735 -4.875 -1.221 1.00 0.00 C ATOM 19 CG HIS A 2 22.355 -3.508 -0.685 1.00 0.00 C ATOM 20 ND1 HIS A 2 21.192 -3.320 0.024 1.00 0.00 N ATOM 21 CD2 HIS A 2 23.002 -2.313 -0.786 1.00 0.00 C ATOM 22 CE1 HIS A 2 21.157 -2.038 0.340 1.00 0.00 C ATOM 23 NE2 HIS A 2 22.228 -1.388 -0.131 1.00 0.00 N ATOM 0 H HIS A 2 23.619 -3.290 -3.213 1.00 0.00 H new ATOM 0 HA HIS A 2 22.680 -6.108 -2.978 1.00 0.00 H new ATOM 0 HB2 HIS A 2 22.132 -5.628 -0.714 1.00 0.00 H new ATOM 0 HB3 HIS A 2 23.776 -5.074 -0.964 1.00 0.00 H new ATOM 0 HD2 HIS A 2 23.942 -2.129 -1.285 1.00 0.00 H new ATOM 0 HE1 HIS A 2 20.364 -1.573 0.907 1.00 0.00 H new ATOM 0 HE2 HIS A 2 22.430 -0.394 -0.024 1.00 0.00 H new ATOM 31 N MET A 3 20.127 -5.381 -2.857 1.00 0.00 N ATOM 32 CA MET A 3 18.713 -5.110 -3.198 1.00 0.00 C ATOM 33 C MET A 3 18.490 -5.097 -4.738 1.00 0.00 C ATOM 34 O MET A 3 18.658 -4.053 -5.387 1.00 0.00 O ATOM 35 CB MET A 3 18.196 -3.795 -2.539 1.00 0.00 C ATOM 36 CG MET A 3 16.718 -3.494 -2.811 1.00 0.00 C ATOM 37 SD MET A 3 16.181 -1.938 -2.076 1.00 0.00 S ATOM 38 CE MET A 3 14.460 -1.879 -2.580 1.00 0.00 C ATOM 0 H MET A 3 20.251 -6.239 -2.319 1.00 0.00 H new ATOM 0 HA MET A 3 18.124 -5.929 -2.786 1.00 0.00 H new ATOM 0 HB2 MET A 3 18.350 -3.857 -1.462 1.00 0.00 H new ATOM 0 HB3 MET A 3 18.797 -2.960 -2.900 1.00 0.00 H new ATOM 0 HG2 MET A 3 16.550 -3.460 -3.887 1.00 0.00 H new ATOM 0 HG3 MET A 3 16.107 -4.307 -2.418 1.00 0.00 H new ATOM 0 HE1 MET A 3 14.254 -0.922 -3.059 1.00 0.00 H new ATOM 0 HE2 MET A 3 14.259 -2.687 -3.283 1.00 0.00 H new ATOM 0 HE3 MET A 3 13.820 -1.992 -1.705 1.00 0.00 H new ATOM 48 N PRO A 4 18.155 -6.269 -5.358 1.00 0.00 N ATOM 49 CA PRO A 4 17.807 -6.341 -6.783 1.00 0.00 C ATOM 50 C PRO A 4 16.344 -5.906 -6.991 1.00 0.00 C ATOM 51 O PRO A 4 15.417 -6.715 -6.832 1.00 0.00 O ATOM 52 CB PRO A 4 18.045 -7.837 -7.162 1.00 0.00 C ATOM 53 CG PRO A 4 18.426 -8.536 -5.878 1.00 0.00 C ATOM 54 CD PRO A 4 18.079 -7.605 -4.733 1.00 0.00 C ATOM 0 HA PRO A 4 18.401 -5.677 -7.411 1.00 0.00 H new ATOM 0 HB2 PRO A 4 17.147 -8.278 -7.594 1.00 0.00 H new ATOM 0 HB3 PRO A 4 18.836 -7.930 -7.906 1.00 0.00 H new ATOM 0 HG2 PRO A 4 17.889 -9.480 -5.781 1.00 0.00 H new ATOM 0 HG3 PRO A 4 19.490 -8.772 -5.871 1.00 0.00 H new ATOM 0 HD2 PRO A 4 17.085 -7.808 -4.334 1.00 0.00 H new ATOM 0 HD3 PRO A 4 18.781 -7.704 -3.905 1.00 0.00 H new ATOM 62 N THR A 5 16.156 -4.608 -7.289 1.00 0.00 N ATOM 63 CA THR A 5 14.825 -4.001 -7.465 1.00 0.00 C ATOM 64 C THR A 5 14.134 -4.589 -8.713 1.00 0.00 C ATOM 65 O THR A 5 14.779 -4.772 -9.756 1.00 0.00 O ATOM 66 CB THR A 5 14.929 -2.440 -7.576 1.00 0.00 C ATOM 67 OG1 THR A 5 15.780 -2.084 -8.678 1.00 0.00 O ATOM 68 CG2 THR A 5 15.495 -1.819 -6.283 1.00 0.00 C ATOM 0 H THR A 5 16.925 -3.949 -7.415 1.00 0.00 H new ATOM 0 HA THR A 5 14.222 -4.235 -6.587 1.00 0.00 H new ATOM 0 HB THR A 5 13.923 -2.052 -7.736 1.00 0.00 H new ATOM 0 HG1 THR A 5 15.840 -1.108 -8.743 1.00 0.00 H new ATOM 0 HG21 THR A 5 15.554 -0.736 -6.395 1.00 0.00 H new ATOM 0 HG22 THR A 5 14.841 -2.063 -5.446 1.00 0.00 H new ATOM 0 HG23 THR A 5 16.491 -2.219 -6.093 1.00 0.00 H new ATOM 76 N SER A 6 12.833 -4.898 -8.586 1.00 0.00 N ATOM 77 CA SER A 6 12.051 -5.578 -9.622 1.00 0.00 C ATOM 78 C SER A 6 10.643 -4.957 -9.743 1.00 0.00 C ATOM 79 O SER A 6 9.748 -5.253 -8.943 1.00 0.00 O ATOM 80 CB SER A 6 11.964 -7.085 -9.284 1.00 0.00 C ATOM 81 OG SER A 6 11.200 -7.791 -10.241 1.00 0.00 O ATOM 0 H SER A 6 12.292 -4.678 -7.750 1.00 0.00 H new ATOM 0 HA SER A 6 12.545 -5.455 -10.586 1.00 0.00 H new ATOM 0 HB2 SER A 6 12.968 -7.506 -9.237 1.00 0.00 H new ATOM 0 HB3 SER A 6 11.519 -7.212 -8.297 1.00 0.00 H new ATOM 0 HG SER A 6 11.167 -8.740 -9.998 1.00 0.00 H new ATOM 87 N GLU A 7 10.471 -4.055 -10.719 1.00 0.00 N ATOM 88 CA GLU A 7 9.150 -3.576 -11.139 1.00 0.00 C ATOM 89 C GLU A 7 8.618 -4.565 -12.185 1.00 0.00 C ATOM 90 O GLU A 7 9.024 -4.542 -13.349 1.00 0.00 O ATOM 91 CB GLU A 7 9.231 -2.135 -11.698 1.00 0.00 C ATOM 92 CG GLU A 7 9.739 -1.093 -10.676 1.00 0.00 C ATOM 93 CD GLU A 7 9.700 0.342 -11.217 1.00 0.00 C ATOM 94 OE1 GLU A 7 10.670 0.771 -11.879 1.00 0.00 O ATOM 95 OE2 GLU A 7 8.689 1.042 -10.998 1.00 0.00 O ATOM 0 H GLU A 7 11.244 -3.638 -11.238 1.00 0.00 H new ATOM 0 HA GLU A 7 8.469 -3.531 -10.289 1.00 0.00 H new ATOM 0 HB2 GLU A 7 9.890 -2.129 -12.566 1.00 0.00 H new ATOM 0 HB3 GLU A 7 8.243 -1.835 -12.047 1.00 0.00 H new ATOM 0 HG2 GLU A 7 9.132 -1.152 -9.772 1.00 0.00 H new ATOM 0 HG3 GLU A 7 10.761 -1.340 -10.390 1.00 0.00 H new ATOM 102 N GLU A 8 7.743 -5.466 -11.732 1.00 0.00 N ATOM 103 CA GLU A 8 7.333 -6.656 -12.495 1.00 0.00 C ATOM 104 C GLU A 8 5.788 -6.663 -12.655 1.00 0.00 C ATOM 105 O GLU A 8 5.111 -5.717 -12.214 1.00 0.00 O ATOM 106 CB GLU A 8 7.894 -7.903 -11.736 1.00 0.00 C ATOM 107 CG GLU A 8 7.918 -9.237 -12.518 1.00 0.00 C ATOM 108 CD GLU A 8 8.648 -10.364 -11.758 1.00 0.00 C ATOM 109 OE1 GLU A 8 8.119 -10.841 -10.728 1.00 0.00 O ATOM 110 OE2 GLU A 8 9.767 -10.761 -12.166 1.00 0.00 O ATOM 0 H GLU A 8 7.294 -5.393 -10.819 1.00 0.00 H new ATOM 0 HA GLU A 8 7.735 -6.663 -13.508 1.00 0.00 H new ATOM 0 HB2 GLU A 8 8.911 -7.678 -11.416 1.00 0.00 H new ATOM 0 HB3 GLU A 8 7.300 -8.048 -10.833 1.00 0.00 H new ATOM 0 HG2 GLU A 8 6.895 -9.549 -12.726 1.00 0.00 H new ATOM 0 HG3 GLU A 8 8.405 -9.080 -13.480 1.00 0.00 H new ATOM 117 N ASP A 9 5.232 -7.708 -13.303 1.00 0.00 N ATOM 118 CA ASP A 9 3.780 -7.856 -13.592 1.00 0.00 C ATOM 119 C ASP A 9 2.992 -8.315 -12.337 1.00 0.00 C ATOM 120 O ASP A 9 2.048 -9.098 -12.441 1.00 0.00 O ATOM 121 CB ASP A 9 3.597 -8.896 -14.739 1.00 0.00 C ATOM 122 CG ASP A 9 4.378 -8.545 -16.010 1.00 0.00 C ATOM 123 OD1 ASP A 9 5.605 -8.800 -16.051 1.00 0.00 O ATOM 124 OD2 ASP A 9 3.783 -8.007 -16.970 1.00 0.00 O ATOM 0 H ASP A 9 5.786 -8.491 -13.649 1.00 0.00 H new ATOM 0 HA ASP A 9 3.386 -6.885 -13.893 1.00 0.00 H new ATOM 0 HB2 ASP A 9 3.916 -9.876 -14.385 1.00 0.00 H new ATOM 0 HB3 ASP A 9 2.537 -8.974 -14.983 1.00 0.00 H new ATOM 129 N LEU A 10 3.337 -7.763 -11.161 1.00 0.00 N ATOM 130 CA LEU A 10 2.886 -8.273 -9.851 1.00 0.00 C ATOM 131 C LEU A 10 1.378 -8.090 -9.649 1.00 0.00 C ATOM 132 O LEU A 10 0.827 -7.030 -9.971 1.00 0.00 O ATOM 133 CB LEU A 10 3.677 -7.576 -8.717 1.00 0.00 C ATOM 134 CG LEU A 10 5.233 -7.706 -8.811 1.00 0.00 C ATOM 135 CD1 LEU A 10 5.925 -6.984 -7.636 1.00 0.00 C ATOM 136 CD2 LEU A 10 5.679 -9.200 -8.899 1.00 0.00 C ATOM 0 H LEU A 10 3.941 -6.944 -11.090 1.00 0.00 H new ATOM 0 HA LEU A 10 3.082 -9.345 -9.824 1.00 0.00 H new ATOM 0 HB2 LEU A 10 3.417 -6.518 -8.712 1.00 0.00 H new ATOM 0 HB3 LEU A 10 3.351 -7.989 -7.762 1.00 0.00 H new ATOM 0 HG LEU A 10 5.547 -7.217 -9.733 1.00 0.00 H new ATOM 0 HD11 LEU A 10 7.006 -7.092 -7.728 1.00 0.00 H new ATOM 0 HD12 LEU A 10 5.663 -5.926 -7.654 1.00 0.00 H new ATOM 0 HD13 LEU A 10 5.596 -7.423 -6.694 1.00 0.00 H new ATOM 0 HD21 LEU A 10 6.766 -9.252 -8.963 1.00 0.00 H new ATOM 0 HD22 LEU A 10 5.342 -9.733 -8.010 1.00 0.00 H new ATOM 0 HD23 LEU A 10 5.241 -9.659 -9.785 1.00 0.00 H new ATOM 148 N CYS A 11 0.731 -9.159 -9.133 1.00 0.00 N ATOM 149 CA CYS A 11 -0.688 -9.153 -8.746 1.00 0.00 C ATOM 150 C CYS A 11 -0.918 -8.031 -7.702 1.00 0.00 C ATOM 151 O CYS A 11 -0.357 -8.125 -6.621 1.00 0.00 O ATOM 152 CB CYS A 11 -1.073 -10.538 -8.151 1.00 0.00 C ATOM 153 SG CYS A 11 -2.813 -10.685 -7.624 1.00 0.00 S ATOM 0 H CYS A 11 1.189 -10.057 -8.974 1.00 0.00 H new ATOM 0 HA CYS A 11 -1.314 -8.966 -9.618 1.00 0.00 H new ATOM 0 HB2 CYS A 11 -0.867 -11.308 -8.895 1.00 0.00 H new ATOM 0 HB3 CYS A 11 -0.430 -10.742 -7.295 1.00 0.00 H new ATOM 158 N PRO A 12 -1.722 -6.957 -8.013 1.00 0.00 N ATOM 159 CA PRO A 12 -1.915 -5.773 -7.099 1.00 0.00 C ATOM 160 C PRO A 12 -2.454 -6.138 -5.692 1.00 0.00 C ATOM 161 O PRO A 12 -2.296 -5.379 -4.730 1.00 0.00 O ATOM 162 CB PRO A 12 -2.929 -4.881 -7.881 1.00 0.00 C ATOM 163 CG PRO A 12 -2.748 -5.287 -9.316 1.00 0.00 C ATOM 164 CD PRO A 12 -2.478 -6.773 -9.282 1.00 0.00 C ATOM 0 HA PRO A 12 -0.966 -5.283 -6.881 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -3.952 -5.052 -7.545 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -2.720 -3.821 -7.738 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -3.639 -5.063 -9.903 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -1.920 -4.748 -9.775 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -3.403 -7.350 -9.286 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -1.897 -7.096 -10.146 1.00 0.00 H new ATOM 172 N ILE A 13 -3.057 -7.334 -5.605 1.00 0.00 N ATOM 173 CA ILE A 13 -3.698 -7.852 -4.386 1.00 0.00 C ATOM 174 C ILE A 13 -2.631 -8.434 -3.403 1.00 0.00 C ATOM 175 O ILE A 13 -2.822 -8.418 -2.183 1.00 0.00 O ATOM 176 CB ILE A 13 -4.780 -8.973 -4.734 1.00 0.00 C ATOM 177 CG1 ILE A 13 -5.862 -8.488 -5.786 1.00 0.00 C ATOM 178 CG2 ILE A 13 -5.492 -9.480 -3.444 1.00 0.00 C ATOM 179 CD1 ILE A 13 -5.434 -8.483 -7.248 1.00 0.00 C ATOM 0 H ILE A 13 -3.114 -7.979 -6.393 1.00 0.00 H new ATOM 0 HA ILE A 13 -4.207 -7.017 -3.904 1.00 0.00 H new ATOM 0 HB ILE A 13 -4.226 -9.792 -5.193 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -6.741 -9.126 -5.690 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -6.170 -7.478 -5.517 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -6.224 -10.243 -3.708 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -4.754 -9.906 -2.764 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -5.997 -8.647 -2.956 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -6.259 -8.132 -7.868 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -4.578 -7.820 -7.374 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -5.158 -9.493 -7.550 1.00 0.00 H new ATOM 191 N CYS A 14 -1.482 -8.897 -3.945 1.00 0.00 N ATOM 192 CA CYS A 14 -0.568 -9.827 -3.229 1.00 0.00 C ATOM 193 C CYS A 14 0.912 -9.407 -3.309 1.00 0.00 C ATOM 194 O CYS A 14 1.646 -9.536 -2.324 1.00 0.00 O ATOM 195 CB CYS A 14 -0.741 -11.230 -3.823 1.00 0.00 C ATOM 196 SG CYS A 14 -2.458 -11.787 -3.867 1.00 0.00 S ATOM 0 H CYS A 14 -1.161 -8.643 -4.879 1.00 0.00 H new ATOM 0 HA CYS A 14 -0.836 -9.807 -2.173 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -0.338 -11.239 -4.836 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -0.153 -11.938 -3.240 1.00 0.00 H new ATOM 201 N TYR A 15 1.342 -8.962 -4.516 1.00 0.00 N ATOM 202 CA TYR A 15 2.720 -8.479 -4.841 1.00 0.00 C ATOM 203 C TYR A 15 3.735 -9.628 -5.037 1.00 0.00 C ATOM 204 O TYR A 15 4.584 -9.548 -5.920 1.00 0.00 O ATOM 205 CB TYR A 15 3.282 -7.456 -3.808 1.00 0.00 C ATOM 206 CG TYR A 15 2.428 -6.183 -3.640 1.00 0.00 C ATOM 207 CD1 TYR A 15 2.547 -5.113 -4.530 1.00 0.00 C ATOM 208 CD2 TYR A 15 1.528 -6.046 -2.577 1.00 0.00 C ATOM 209 CE1 TYR A 15 1.791 -3.970 -4.370 1.00 0.00 C ATOM 210 CE2 TYR A 15 0.777 -4.904 -2.417 1.00 0.00 C ATOM 211 CZ TYR A 15 0.917 -3.869 -3.308 1.00 0.00 C ATOM 212 OH TYR A 15 0.183 -2.721 -3.136 1.00 0.00 O ATOM 0 H TYR A 15 0.720 -8.926 -5.324 1.00 0.00 H new ATOM 0 HA TYR A 15 2.599 -7.961 -5.792 1.00 0.00 H new ATOM 0 HB2 TYR A 15 3.372 -7.949 -2.840 1.00 0.00 H new ATOM 0 HB3 TYR A 15 4.288 -7.166 -4.113 1.00 0.00 H new ATOM 0 HD1 TYR A 15 3.241 -5.181 -5.355 1.00 0.00 H new ATOM 0 HD2 TYR A 15 1.421 -6.853 -1.868 1.00 0.00 H new ATOM 0 HE1 TYR A 15 1.883 -3.157 -5.074 1.00 0.00 H new ATOM 0 HE2 TYR A 15 0.081 -4.822 -1.595 1.00 0.00 H new ATOM 0 HH TYR A 15 -0.385 -2.812 -2.342 1.00 0.00 H new ATOM 222 N ALA A 16 3.629 -10.702 -4.239 1.00 0.00 N ATOM 223 CA ALA A 16 4.664 -11.753 -4.161 1.00 0.00 C ATOM 224 C ALA A 16 4.699 -12.709 -5.387 1.00 0.00 C ATOM 225 O ALA A 16 5.592 -13.550 -5.465 1.00 0.00 O ATOM 226 CB ALA A 16 4.491 -12.541 -2.850 1.00 0.00 C ATOM 0 H ALA A 16 2.828 -10.869 -3.630 1.00 0.00 H new ATOM 0 HA ALA A 16 5.629 -11.246 -4.174 1.00 0.00 H new ATOM 0 HB1 ALA A 16 5.253 -13.318 -2.789 1.00 0.00 H new ATOM 0 HB2 ALA A 16 4.594 -11.864 -2.002 1.00 0.00 H new ATOM 0 HB3 ALA A 16 3.503 -13.000 -2.829 1.00 0.00 H new ATOM 232 N HIS A 17 3.724 -12.602 -6.323 1.00 0.00 N ATOM 233 CA HIS A 17 3.721 -13.385 -7.595 1.00 0.00 C ATOM 234 C HIS A 17 3.207 -12.501 -8.758 1.00 0.00 C ATOM 235 O HIS A 17 2.223 -11.761 -8.574 1.00 0.00 O ATOM 236 CB HIS A 17 2.851 -14.681 -7.489 1.00 0.00 C ATOM 237 CG HIS A 17 3.431 -15.799 -6.637 1.00 0.00 C ATOM 238 ND1 HIS A 17 4.092 -16.885 -7.173 1.00 0.00 N ATOM 239 CD2 HIS A 17 3.408 -16.015 -5.299 1.00 0.00 C ATOM 240 CE1 HIS A 17 4.444 -17.708 -6.206 1.00 0.00 C ATOM 241 NE2 HIS A 17 4.040 -17.203 -5.062 1.00 0.00 N ATOM 0 H HIS A 17 2.923 -11.979 -6.224 1.00 0.00 H new ATOM 0 HA HIS A 17 4.748 -13.694 -7.790 1.00 0.00 H new ATOM 0 HB2 HIS A 17 1.876 -14.409 -7.084 1.00 0.00 H new ATOM 0 HB3 HIS A 17 2.682 -15.066 -8.495 1.00 0.00 H new ATOM 0 HD2 HIS A 17 2.970 -15.366 -4.555 1.00 0.00 H new ATOM 0 HE1 HIS A 17 4.975 -18.640 -6.332 1.00 0.00 H new ATOM 0 HE2 HIS A 17 4.176 -17.629 -4.145 1.00 0.00 H new ATOM 250 N PRO A 18 3.860 -12.568 -9.975 1.00 0.00 N ATOM 251 CA PRO A 18 3.480 -11.754 -11.149 1.00 0.00 C ATOM 252 C PRO A 18 2.402 -12.414 -12.055 1.00 0.00 C ATOM 253 O PRO A 18 2.726 -12.998 -13.100 1.00 0.00 O ATOM 254 CB PRO A 18 4.837 -11.589 -11.871 1.00 0.00 C ATOM 255 CG PRO A 18 5.545 -12.897 -11.636 1.00 0.00 C ATOM 256 CD PRO A 18 5.054 -13.418 -10.287 1.00 0.00 C ATOM 0 HA PRO A 18 3.002 -10.814 -10.873 1.00 0.00 H new ATOM 0 HB2 PRO A 18 4.701 -11.396 -12.935 1.00 0.00 H new ATOM 0 HB3 PRO A 18 5.404 -10.751 -11.465 1.00 0.00 H new ATOM 0 HG2 PRO A 18 5.321 -13.608 -12.431 1.00 0.00 H new ATOM 0 HG3 PRO A 18 6.626 -12.757 -11.628 1.00 0.00 H new ATOM 0 HD2 PRO A 18 4.788 -14.474 -10.341 1.00 0.00 H new ATOM 0 HD3 PRO A 18 5.822 -13.322 -9.520 1.00 0.00 H new ATOM 264 N ILE A 19 1.112 -12.293 -11.631 1.00 0.00 N ATOM 265 CA ILE A 19 -0.081 -12.869 -12.334 1.00 0.00 C ATOM 266 C ILE A 19 -0.030 -14.435 -12.388 1.00 0.00 C ATOM 267 O ILE A 19 1.038 -15.038 -12.274 1.00 0.00 O ATOM 268 CB ILE A 19 -0.259 -12.259 -13.797 1.00 0.00 C ATOM 269 CG1 ILE A 19 -0.353 -10.693 -13.752 1.00 0.00 C ATOM 270 CG2 ILE A 19 -1.496 -12.849 -14.536 1.00 0.00 C ATOM 271 CD1 ILE A 19 -0.425 -10.003 -15.111 1.00 0.00 C ATOM 0 H ILE A 19 0.864 -11.787 -10.781 1.00 0.00 H new ATOM 0 HA ILE A 19 -0.954 -12.586 -11.746 1.00 0.00 H new ATOM 0 HB ILE A 19 0.630 -12.542 -14.361 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -1.235 -10.415 -13.175 1.00 0.00 H new ATOM 0 HG13 ILE A 19 0.514 -10.309 -13.214 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -1.575 -12.403 -15.527 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -1.382 -13.929 -14.632 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -2.399 -12.629 -13.967 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -0.487 -8.924 -14.968 1.00 0.00 H new ATOM 0 HD12 ILE A 19 0.468 -10.242 -15.688 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -1.308 -10.349 -15.649 1.00 0.00 H new ATOM 283 N SER A 20 -1.208 -15.080 -12.513 1.00 0.00 N ATOM 284 CA SER A 20 -1.300 -16.534 -12.724 1.00 0.00 C ATOM 285 C SER A 20 -2.669 -16.942 -13.322 1.00 0.00 C ATOM 286 O SER A 20 -2.839 -18.100 -13.711 1.00 0.00 O ATOM 287 CB SER A 20 -1.020 -17.285 -11.395 1.00 0.00 C ATOM 288 OG SER A 20 -0.969 -18.692 -11.570 1.00 0.00 O ATOM 0 H SER A 20 -2.113 -14.610 -12.471 1.00 0.00 H new ATOM 0 HA SER A 20 -0.540 -16.819 -13.451 1.00 0.00 H new ATOM 0 HB2 SER A 20 -0.075 -16.939 -10.977 1.00 0.00 H new ATOM 0 HB3 SER A 20 -1.797 -17.039 -10.671 1.00 0.00 H new ATOM 0 HG SER A 20 -1.464 -18.939 -12.379 1.00 0.00 H new ATOM 294 N ALA A 21 -3.636 -15.994 -13.425 1.00 0.00 N ATOM 295 CA ALA A 21 -5.008 -16.294 -13.894 1.00 0.00 C ATOM 296 C ALA A 21 -5.650 -15.061 -14.560 1.00 0.00 C ATOM 297 O ALA A 21 -5.601 -13.962 -14.010 1.00 0.00 O ATOM 298 CB ALA A 21 -5.876 -16.802 -12.719 1.00 0.00 C ATOM 0 H ALA A 21 -3.487 -15.013 -13.188 1.00 0.00 H new ATOM 0 HA ALA A 21 -4.948 -17.081 -14.646 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -6.882 -17.019 -13.077 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -5.434 -17.709 -12.306 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -5.924 -16.037 -11.944 1.00 0.00 H new ATOM 304 N VAL A 22 -6.253 -15.272 -15.748 1.00 0.00 N ATOM 305 CA VAL A 22 -7.030 -14.254 -16.475 1.00 0.00 C ATOM 306 C VAL A 22 -8.544 -14.517 -16.289 1.00 0.00 C ATOM 307 O VAL A 22 -9.022 -15.660 -16.416 1.00 0.00 O ATOM 308 CB VAL A 22 -6.645 -14.215 -18.011 1.00 0.00 C ATOM 309 CG1 VAL A 22 -6.859 -15.587 -18.707 1.00 0.00 C ATOM 310 CG2 VAL A 22 -7.395 -13.075 -18.761 1.00 0.00 C ATOM 0 H VAL A 22 -6.212 -16.168 -16.234 1.00 0.00 H new ATOM 0 HA VAL A 22 -6.788 -13.276 -16.059 1.00 0.00 H new ATOM 0 HB VAL A 22 -5.578 -13.998 -18.060 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -6.581 -15.509 -19.758 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -6.239 -16.341 -18.223 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -7.907 -15.875 -18.629 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -7.106 -13.079 -19.812 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -8.471 -13.232 -18.680 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -7.134 -12.114 -18.317 1.00 0.00 H new ATOM 320 N PHE A 23 -9.284 -13.443 -15.965 1.00 0.00 N ATOM 321 CA PHE A 23 -10.735 -13.499 -15.724 1.00 0.00 C ATOM 322 C PHE A 23 -11.495 -13.174 -17.011 1.00 0.00 C ATOM 323 O PHE A 23 -11.621 -12.003 -17.387 1.00 0.00 O ATOM 324 CB PHE A 23 -11.143 -12.513 -14.596 1.00 0.00 C ATOM 325 CG PHE A 23 -10.476 -12.798 -13.255 1.00 0.00 C ATOM 326 CD1 PHE A 23 -10.297 -14.114 -12.813 1.00 0.00 C ATOM 327 CD2 PHE A 23 -10.054 -11.761 -12.429 1.00 0.00 C ATOM 328 CE1 PHE A 23 -9.722 -14.375 -11.595 1.00 0.00 C ATOM 329 CE2 PHE A 23 -9.478 -12.030 -11.213 1.00 0.00 C ATOM 330 CZ PHE A 23 -9.314 -13.337 -10.795 1.00 0.00 C ATOM 0 H PHE A 23 -8.890 -12.508 -15.863 1.00 0.00 H new ATOM 0 HA PHE A 23 -10.993 -14.509 -15.406 1.00 0.00 H new ATOM 0 HB2 PHE A 23 -10.894 -11.498 -14.906 1.00 0.00 H new ATOM 0 HB3 PHE A 23 -12.225 -12.550 -14.468 1.00 0.00 H new ATOM 0 HD1 PHE A 23 -10.616 -14.934 -13.439 1.00 0.00 H new ATOM 0 HD2 PHE A 23 -10.181 -10.737 -12.747 1.00 0.00 H new ATOM 0 HE1 PHE A 23 -9.591 -15.395 -11.266 1.00 0.00 H new ATOM 0 HE2 PHE A 23 -9.152 -11.218 -10.580 1.00 0.00 H new ATOM 0 HZ PHE A 23 -8.863 -13.542 -9.835 1.00 0.00 H new ATOM 340 N GLN A 24 -11.972 -14.219 -17.689 1.00 0.00 N ATOM 341 CA GLN A 24 -12.759 -14.097 -18.920 1.00 0.00 C ATOM 342 C GLN A 24 -14.268 -14.004 -18.603 1.00 0.00 C ATOM 343 O GLN A 24 -14.723 -14.529 -17.577 1.00 0.00 O ATOM 344 CB GLN A 24 -12.421 -15.276 -19.877 1.00 0.00 C ATOM 345 CG GLN A 24 -11.191 -14.990 -20.754 1.00 0.00 C ATOM 346 CD GLN A 24 -10.808 -16.143 -21.669 1.00 0.00 C ATOM 347 OE1 GLN A 24 -11.295 -16.251 -22.795 1.00 0.00 O ATOM 348 NE2 GLN A 24 -9.936 -17.014 -21.202 1.00 0.00 N ATOM 0 H GLN A 24 -11.822 -15.185 -17.397 1.00 0.00 H new ATOM 0 HA GLN A 24 -12.495 -13.171 -19.430 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -12.243 -16.177 -19.289 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -13.280 -15.478 -20.517 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -11.387 -14.106 -21.361 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -10.344 -14.753 -20.110 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -9.550 -16.897 -20.265 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -9.647 -17.805 -21.778 1.00 0.00 H new ATOM 357 N PRO A 25 -15.082 -13.319 -19.476 1.00 0.00 N ATOM 358 CA PRO A 25 -14.661 -12.700 -20.766 1.00 0.00 C ATOM 359 C PRO A 25 -14.252 -11.214 -20.622 1.00 0.00 C ATOM 360 O PRO A 25 -14.436 -10.433 -21.563 1.00 0.00 O ATOM 361 CB PRO A 25 -15.943 -12.877 -21.653 1.00 0.00 C ATOM 362 CG PRO A 25 -17.010 -13.397 -20.718 1.00 0.00 C ATOM 363 CD PRO A 25 -16.518 -13.115 -19.309 1.00 0.00 C ATOM 0 HA PRO A 25 -13.768 -13.162 -21.186 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -16.243 -11.931 -22.103 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -15.762 -13.576 -22.470 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -17.963 -12.902 -20.903 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -17.171 -14.465 -20.867 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -16.757 -12.103 -18.983 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -16.950 -13.796 -18.576 1.00 0.00 H new ATOM 371 N CYS A 26 -13.681 -10.843 -19.454 1.00 0.00 N ATOM 372 CA CYS A 26 -13.250 -9.466 -19.185 1.00 0.00 C ATOM 373 C CYS A 26 -11.843 -9.195 -19.768 1.00 0.00 C ATOM 374 O CYS A 26 -11.712 -8.507 -20.789 1.00 0.00 O ATOM 375 CB CYS A 26 -13.281 -9.144 -17.673 1.00 0.00 C ATOM 376 SG CYS A 26 -12.663 -7.472 -17.353 1.00 0.00 S ATOM 0 H CYS A 26 -13.510 -11.488 -18.682 1.00 0.00 H new ATOM 0 HA CYS A 26 -13.960 -8.805 -19.683 1.00 0.00 H new ATOM 0 HB2 CYS A 26 -14.300 -9.237 -17.299 1.00 0.00 H new ATOM 0 HB3 CYS A 26 -12.675 -9.870 -17.130 1.00 0.00 H new ATOM 381 N GLY A 27 -10.800 -9.764 -19.130 1.00 0.00 N ATOM 382 CA GLY A 27 -9.401 -9.525 -19.520 1.00 0.00 C ATOM 383 C GLY A 27 -8.503 -9.227 -18.329 1.00 0.00 C ATOM 384 O GLY A 27 -7.298 -9.520 -18.379 1.00 0.00 O ATOM 0 H GLY A 27 -10.905 -10.397 -18.337 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -9.020 -10.400 -20.047 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -9.360 -8.689 -20.219 1.00 0.00 H new ATOM 388 N HIS A 28 -9.091 -8.605 -17.270 1.00 0.00 N ATOM 389 CA HIS A 28 -8.388 -8.327 -15.993 1.00 0.00 C ATOM 390 C HIS A 28 -7.846 -9.623 -15.379 1.00 0.00 C ATOM 391 O HIS A 28 -8.566 -10.619 -15.279 1.00 0.00 O ATOM 392 CB HIS A 28 -9.312 -7.607 -14.960 1.00 0.00 C ATOM 393 CG HIS A 28 -9.534 -6.138 -15.221 1.00 0.00 C ATOM 394 ND1 HIS A 28 -10.778 -5.568 -15.090 1.00 0.00 N ATOM 395 CD2 HIS A 28 -8.643 -5.181 -15.588 1.00 0.00 C ATOM 396 CE1 HIS A 28 -10.609 -4.291 -15.380 1.00 0.00 C ATOM 397 NE2 HIS A 28 -9.341 -4.015 -15.683 1.00 0.00 N ATOM 0 H HIS A 28 -10.060 -8.285 -17.280 1.00 0.00 H new ATOM 0 HA HIS A 28 -7.558 -7.660 -16.228 1.00 0.00 H new ATOM 0 HB2 HIS A 28 -10.279 -8.109 -14.948 1.00 0.00 H new ATOM 0 HB3 HIS A 28 -8.880 -7.723 -13.966 1.00 0.00 H new ATOM 0 HD2 HIS A 28 -7.587 -5.318 -15.769 1.00 0.00 H new ATOM 0 HE1 HIS A 28 -11.403 -3.559 -15.373 1.00 0.00 H new ATOM 0 HE2 HIS A 28 -8.964 -3.102 -15.938 1.00 0.00 H new ATOM 405 N LYS A 29 -6.577 -9.583 -14.969 1.00 0.00 N ATOM 406 CA LYS A 29 -5.849 -10.735 -14.438 1.00 0.00 C ATOM 407 C LYS A 29 -5.476 -10.502 -12.968 1.00 0.00 C ATOM 408 O LYS A 29 -5.290 -9.362 -12.532 1.00 0.00 O ATOM 409 CB LYS A 29 -4.563 -10.960 -15.279 1.00 0.00 C ATOM 410 CG LYS A 29 -4.810 -11.042 -16.794 1.00 0.00 C ATOM 411 CD LYS A 29 -3.526 -11.260 -17.614 1.00 0.00 C ATOM 412 CE LYS A 29 -3.786 -11.153 -19.122 1.00 0.00 C ATOM 413 NZ LYS A 29 -4.375 -9.837 -19.486 1.00 0.00 N ATOM 0 H LYS A 29 -6.016 -8.732 -14.998 1.00 0.00 H new ATOM 0 HA LYS A 29 -6.486 -11.618 -14.497 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -3.864 -10.148 -15.079 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -4.083 -11.882 -14.950 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -5.504 -11.857 -16.997 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -5.292 -10.122 -17.126 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -2.779 -10.523 -17.321 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -3.112 -12.242 -17.386 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -2.851 -11.296 -19.664 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -4.459 -11.952 -19.433 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -4.273 -9.682 -20.509 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -5.384 -9.826 -19.233 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -3.881 -9.081 -18.970 1.00 0.00 H new ATOM 427 N SER A 30 -5.385 -11.602 -12.223 1.00 0.00 N ATOM 428 CA SER A 30 -4.769 -11.648 -10.893 1.00 0.00 C ATOM 429 C SER A 30 -4.019 -12.987 -10.798 1.00 0.00 C ATOM 430 O SER A 30 -3.619 -13.537 -11.825 1.00 0.00 O ATOM 431 CB SER A 30 -5.835 -11.472 -9.777 1.00 0.00 C ATOM 432 OG SER A 30 -6.624 -12.627 -9.622 1.00 0.00 O ATOM 0 H SER A 30 -5.744 -12.506 -12.531 1.00 0.00 H new ATOM 0 HA SER A 30 -4.068 -10.825 -10.749 1.00 0.00 H new ATOM 0 HB2 SER A 30 -5.339 -11.241 -8.834 1.00 0.00 H new ATOM 0 HB3 SER A 30 -6.476 -10.623 -10.017 1.00 0.00 H new ATOM 0 HG SER A 30 -7.409 -12.568 -10.206 1.00 0.00 H new ATOM 438 N CYS A 31 -3.791 -13.501 -9.586 1.00 0.00 N ATOM 439 CA CYS A 31 -3.203 -14.833 -9.398 1.00 0.00 C ATOM 440 C CYS A 31 -4.318 -15.859 -9.094 1.00 0.00 C ATOM 441 O CYS A 31 -5.435 -15.472 -8.734 1.00 0.00 O ATOM 442 CB CYS A 31 -2.152 -14.777 -8.275 1.00 0.00 C ATOM 443 SG CYS A 31 -2.826 -14.491 -6.609 1.00 0.00 S ATOM 0 H CYS A 31 -4.005 -13.013 -8.716 1.00 0.00 H new ATOM 0 HA CYS A 31 -2.701 -15.153 -10.311 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -1.596 -15.715 -8.270 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -1.439 -13.985 -8.504 1.00 0.00 H new ATOM 448 N LYS A 32 -4.011 -17.162 -9.261 1.00 0.00 N ATOM 449 CA LYS A 32 -4.957 -18.274 -9.016 1.00 0.00 C ATOM 450 C LYS A 32 -5.374 -18.338 -7.531 1.00 0.00 C ATOM 451 O LYS A 32 -6.511 -18.689 -7.213 1.00 0.00 O ATOM 452 CB LYS A 32 -4.311 -19.621 -9.428 1.00 0.00 C ATOM 453 CG LYS A 32 -4.061 -19.803 -10.944 1.00 0.00 C ATOM 454 CD LYS A 32 -3.254 -21.091 -11.268 1.00 0.00 C ATOM 455 CE LYS A 32 -3.941 -22.387 -10.782 1.00 0.00 C ATOM 456 NZ LYS A 32 -3.087 -23.580 -10.977 1.00 0.00 N ATOM 0 H LYS A 32 -3.092 -17.476 -9.572 1.00 0.00 H new ATOM 0 HA LYS A 32 -5.848 -18.093 -9.618 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -3.360 -19.723 -8.906 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -4.952 -20.432 -9.083 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -5.018 -19.838 -11.464 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -3.522 -18.936 -11.326 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -3.100 -21.153 -12.345 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -2.268 -21.018 -10.809 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -4.190 -22.290 -9.725 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -4.879 -22.522 -11.320 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -3.588 -24.425 -10.637 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -2.870 -23.690 -11.988 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -2.202 -23.464 -10.443 1.00 0.00 H new ATOM 470 N ALA A 33 -4.424 -17.995 -6.639 1.00 0.00 N ATOM 471 CA ALA A 33 -4.661 -17.930 -5.183 1.00 0.00 C ATOM 472 C ALA A 33 -5.769 -16.910 -4.832 1.00 0.00 C ATOM 473 O ALA A 33 -6.521 -17.107 -3.874 1.00 0.00 O ATOM 474 CB ALA A 33 -3.347 -17.597 -4.451 1.00 0.00 C ATOM 0 H ALA A 33 -3.470 -17.755 -6.908 1.00 0.00 H new ATOM 0 HA ALA A 33 -5.010 -18.907 -4.849 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -3.530 -17.551 -3.377 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -2.608 -18.370 -4.660 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -2.972 -16.634 -4.797 1.00 0.00 H new ATOM 480 N CYS A 34 -5.852 -15.828 -5.647 1.00 0.00 N ATOM 481 CA CYS A 34 -6.893 -14.783 -5.515 1.00 0.00 C ATOM 482 C CYS A 34 -8.284 -15.360 -5.762 1.00 0.00 C ATOM 483 O CYS A 34 -9.154 -15.244 -4.903 1.00 0.00 O ATOM 484 CB CYS A 34 -6.639 -13.570 -6.463 1.00 0.00 C ATOM 485 SG CYS A 34 -5.695 -12.216 -5.712 1.00 0.00 S ATOM 0 H CYS A 34 -5.199 -15.658 -6.412 1.00 0.00 H new ATOM 0 HA CYS A 34 -6.838 -14.417 -4.490 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -6.107 -13.921 -7.347 1.00 0.00 H new ATOM 0 HB3 CYS A 34 -7.600 -13.182 -6.802 1.00 0.00 H new ATOM 490 N ILE A 35 -8.474 -15.999 -6.935 1.00 0.00 N ATOM 491 CA ILE A 35 -9.800 -16.476 -7.356 1.00 0.00 C ATOM 492 C ILE A 35 -10.261 -17.660 -6.486 1.00 0.00 C ATOM 493 O ILE A 35 -11.428 -17.726 -6.129 1.00 0.00 O ATOM 494 CB ILE A 35 -9.861 -16.839 -8.891 1.00 0.00 C ATOM 495 CG1 ILE A 35 -11.318 -17.221 -9.328 1.00 0.00 C ATOM 496 CG2 ILE A 35 -8.848 -17.947 -9.271 1.00 0.00 C ATOM 497 CD1 ILE A 35 -12.363 -16.127 -9.123 1.00 0.00 C ATOM 0 H ILE A 35 -7.727 -16.194 -7.602 1.00 0.00 H new ATOM 0 HA ILE A 35 -10.492 -15.647 -7.207 1.00 0.00 H new ATOM 0 HB ILE A 35 -9.571 -15.944 -9.441 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -11.304 -17.496 -10.383 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -11.627 -18.106 -8.772 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -8.927 -18.163 -10.337 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -7.837 -17.609 -9.043 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -9.066 -18.850 -8.701 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -13.337 -16.487 -9.455 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -12.414 -15.866 -8.066 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -12.086 -15.246 -9.702 1.00 0.00 H new ATOM 509 N ASN A 36 -9.333 -18.556 -6.105 1.00 0.00 N ATOM 510 CA ASN A 36 -9.654 -19.716 -5.243 1.00 0.00 C ATOM 511 C ASN A 36 -10.136 -19.245 -3.850 1.00 0.00 C ATOM 512 O ASN A 36 -11.066 -19.819 -3.266 1.00 0.00 O ATOM 513 CB ASN A 36 -8.424 -20.647 -5.125 1.00 0.00 C ATOM 514 CG ASN A 36 -8.701 -21.948 -4.352 1.00 0.00 C ATOM 515 OD1 ASN A 36 -9.107 -22.955 -4.936 1.00 0.00 O ATOM 516 ND2 ASN A 36 -8.479 -21.943 -3.045 1.00 0.00 N ATOM 0 H ASN A 36 -8.352 -18.502 -6.379 1.00 0.00 H new ATOM 0 HA ASN A 36 -10.467 -20.280 -5.700 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -8.073 -20.898 -6.126 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -7.617 -20.106 -4.630 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -8.644 -22.787 -2.496 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -8.143 -21.095 -2.588 1.00 0.00 H new ATOM 523 N GLN A 37 -9.499 -18.174 -3.342 1.00 0.00 N ATOM 524 CA GLN A 37 -9.883 -17.522 -2.074 1.00 0.00 C ATOM 525 C GLN A 37 -11.196 -16.718 -2.248 1.00 0.00 C ATOM 526 O GLN A 37 -12.012 -16.625 -1.324 1.00 0.00 O ATOM 527 CB GLN A 37 -8.740 -16.588 -1.593 1.00 0.00 C ATOM 528 CG GLN A 37 -8.987 -15.899 -0.227 1.00 0.00 C ATOM 529 CD GLN A 37 -7.861 -14.959 0.232 1.00 0.00 C ATOM 530 OE1 GLN A 37 -8.111 -13.964 0.920 1.00 0.00 O ATOM 531 NE2 GLN A 37 -6.614 -15.272 -0.105 1.00 0.00 N ATOM 0 H GLN A 37 -8.701 -17.734 -3.800 1.00 0.00 H new ATOM 0 HA GLN A 37 -10.052 -18.293 -1.323 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -7.820 -17.169 -1.529 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -8.579 -15.818 -2.347 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -9.915 -15.330 -0.285 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -9.131 -16.668 0.532 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -6.432 -16.099 -0.674 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -5.839 -14.686 0.205 1.00 0.00 H new ATOM 540 N HIS A 38 -11.388 -16.166 -3.462 1.00 0.00 N ATOM 541 CA HIS A 38 -12.543 -15.311 -3.804 1.00 0.00 C ATOM 542 C HIS A 38 -13.820 -16.150 -3.931 1.00 0.00 C ATOM 543 O HIS A 38 -14.892 -15.680 -3.591 1.00 0.00 O ATOM 544 CB HIS A 38 -12.271 -14.547 -5.126 1.00 0.00 C ATOM 545 CG HIS A 38 -13.290 -13.492 -5.480 1.00 0.00 C ATOM 546 ND1 HIS A 38 -13.622 -12.500 -4.589 1.00 0.00 N ATOM 547 CD2 HIS A 38 -13.981 -13.296 -6.630 1.00 0.00 C ATOM 548 CE1 HIS A 38 -14.492 -11.732 -5.210 1.00 0.00 C ATOM 549 NE2 HIS A 38 -14.742 -12.170 -6.450 1.00 0.00 N ATOM 0 H HIS A 38 -10.741 -16.302 -4.239 1.00 0.00 H new ATOM 0 HA HIS A 38 -12.685 -14.588 -3.001 1.00 0.00 H new ATOM 0 HB2 HIS A 38 -11.291 -14.075 -5.059 1.00 0.00 H new ATOM 0 HB3 HIS A 38 -12.222 -15.269 -5.941 1.00 0.00 H new ATOM 0 HD1 HIS A 38 -13.267 -12.383 -3.640 1.00 0.00 H new ATOM 0 HD2 HIS A 38 -13.940 -13.910 -7.518 1.00 0.00 H new ATOM 0 HE1 HIS A 38 -14.948 -10.856 -4.773 1.00 0.00 H new ATOM 557 N LEU A 39 -13.674 -17.411 -4.392 1.00 0.00 N ATOM 558 CA LEU A 39 -14.804 -18.354 -4.596 1.00 0.00 C ATOM 559 C LEU A 39 -15.373 -18.867 -3.259 1.00 0.00 C ATOM 560 O LEU A 39 -16.406 -19.545 -3.236 1.00 0.00 O ATOM 561 CB LEU A 39 -14.364 -19.524 -5.513 1.00 0.00 C ATOM 562 CG LEU A 39 -14.048 -19.120 -6.994 1.00 0.00 C ATOM 563 CD1 LEU A 39 -13.469 -20.296 -7.810 1.00 0.00 C ATOM 564 CD2 LEU A 39 -15.288 -18.506 -7.688 1.00 0.00 C ATOM 0 H LEU A 39 -12.767 -17.809 -4.635 1.00 0.00 H new ATOM 0 HA LEU A 39 -15.611 -17.813 -5.090 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -13.478 -19.990 -5.082 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -15.151 -20.278 -5.518 1.00 0.00 H new ATOM 0 HG LEU A 39 -13.275 -18.353 -6.955 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -13.266 -19.967 -8.829 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -12.543 -20.638 -7.348 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -14.189 -21.115 -7.829 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -15.035 -18.237 -8.713 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -16.099 -19.234 -7.694 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -15.604 -17.615 -7.146 1.00 0.00 H new ATOM 576 N MET A 40 -14.687 -18.524 -2.156 1.00 0.00 N ATOM 577 CA MET A 40 -15.200 -18.704 -0.786 1.00 0.00 C ATOM 578 C MET A 40 -16.287 -17.651 -0.462 1.00 0.00 C ATOM 579 O MET A 40 -17.011 -17.795 0.523 1.00 0.00 O ATOM 580 CB MET A 40 -14.036 -18.633 0.244 1.00 0.00 C ATOM 581 CG MET A 40 -12.968 -19.728 0.065 1.00 0.00 C ATOM 582 SD MET A 40 -13.641 -21.405 0.201 1.00 0.00 S ATOM 583 CE MET A 40 -14.340 -21.395 1.855 1.00 0.00 C ATOM 0 H MET A 40 -13.755 -18.111 -2.189 1.00 0.00 H new ATOM 0 HA MET A 40 -15.658 -19.691 -0.718 1.00 0.00 H new ATOM 0 HB2 MET A 40 -13.556 -17.657 0.167 1.00 0.00 H new ATOM 0 HB3 MET A 40 -14.450 -18.706 1.250 1.00 0.00 H new ATOM 0 HG2 MET A 40 -12.495 -19.610 -0.910 1.00 0.00 H new ATOM 0 HG3 MET A 40 -12.189 -19.594 0.815 1.00 0.00 H new ATOM 0 HE1 MET A 40 -14.561 -22.417 2.163 1.00 0.00 H new ATOM 0 HE2 MET A 40 -13.625 -20.953 2.549 1.00 0.00 H new ATOM 0 HE3 MET A 40 -15.259 -20.809 1.858 1.00 0.00 H new ATOM 593 N ASN A 41 -16.382 -16.601 -1.304 1.00 0.00 N ATOM 594 CA ASN A 41 -17.297 -15.462 -1.106 1.00 0.00 C ATOM 595 C ASN A 41 -18.093 -15.153 -2.404 1.00 0.00 C ATOM 596 O ASN A 41 -19.288 -15.456 -2.488 1.00 0.00 O ATOM 597 CB ASN A 41 -16.483 -14.234 -0.615 1.00 0.00 C ATOM 598 CG ASN A 41 -17.347 -12.995 -0.357 1.00 0.00 C ATOM 599 OD1 ASN A 41 -18.017 -12.903 0.668 1.00 0.00 O ATOM 600 ND2 ASN A 41 -17.304 -12.022 -1.251 1.00 0.00 N ATOM 0 H ASN A 41 -15.818 -16.521 -2.150 1.00 0.00 H new ATOM 0 HA ASN A 41 -18.034 -15.715 -0.344 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -15.958 -14.499 0.303 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -15.724 -13.990 -1.358 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -17.837 -11.166 -1.099 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -16.738 -12.128 -2.093 1.00 0.00 H new ATOM 607 N ASN A 42 -17.418 -14.566 -3.422 1.00 0.00 N ATOM 608 CA ASN A 42 -18.058 -14.132 -4.698 1.00 0.00 C ATOM 609 C ASN A 42 -17.324 -14.725 -5.920 1.00 0.00 C ATOM 610 O ASN A 42 -16.486 -15.616 -5.781 1.00 0.00 O ATOM 611 CB ASN A 42 -18.091 -12.573 -4.782 1.00 0.00 C ATOM 612 CG ASN A 42 -19.050 -11.880 -3.795 1.00 0.00 C ATOM 613 OD1 ASN A 42 -18.804 -10.749 -3.374 1.00 0.00 O ATOM 614 ND2 ASN A 42 -20.151 -12.524 -3.436 1.00 0.00 N ATOM 0 H ASN A 42 -16.416 -14.378 -3.387 1.00 0.00 H new ATOM 0 HA ASN A 42 -19.082 -14.507 -4.710 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -17.083 -12.195 -4.610 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -18.370 -12.286 -5.796 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -20.815 -12.084 -2.799 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -20.335 -13.460 -3.797 1.00 0.00 H new ATOM 621 N LYS A 43 -17.673 -14.248 -7.126 1.00 0.00 N ATOM 622 CA LYS A 43 -17.018 -14.667 -8.380 1.00 0.00 C ATOM 623 C LYS A 43 -16.979 -13.447 -9.320 1.00 0.00 C ATOM 624 O LYS A 43 -17.104 -13.556 -10.533 1.00 0.00 O ATOM 625 CB LYS A 43 -17.788 -15.872 -8.991 1.00 0.00 C ATOM 626 CG LYS A 43 -17.064 -16.564 -10.175 1.00 0.00 C ATOM 627 CD LYS A 43 -17.847 -17.758 -10.740 1.00 0.00 C ATOM 628 CE LYS A 43 -17.120 -18.455 -11.901 1.00 0.00 C ATOM 629 NZ LYS A 43 -17.939 -19.542 -12.469 1.00 0.00 N ATOM 0 H LYS A 43 -18.416 -13.562 -7.261 1.00 0.00 H new ATOM 0 HA LYS A 43 -15.996 -15.004 -8.209 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -17.964 -16.610 -8.208 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -18.765 -15.528 -9.330 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -16.899 -15.836 -10.969 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -16.082 -16.903 -9.845 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -18.024 -18.480 -9.943 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -18.824 -17.416 -11.083 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -16.889 -17.726 -12.678 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -16.170 -18.858 -11.549 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -17.422 -19.994 -13.250 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -18.138 -20.248 -11.732 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -18.835 -19.152 -12.826 1.00 0.00 H new ATOM 643 N ASP A 44 -16.795 -12.265 -8.727 1.00 0.00 N ATOM 644 CA ASP A 44 -16.792 -10.984 -9.466 1.00 0.00 C ATOM 645 C ASP A 44 -15.360 -10.510 -9.746 1.00 0.00 C ATOM 646 O ASP A 44 -14.412 -10.903 -9.052 1.00 0.00 O ATOM 647 CB ASP A 44 -17.585 -9.919 -8.669 1.00 0.00 C ATOM 648 CG ASP A 44 -19.048 -10.336 -8.438 1.00 0.00 C ATOM 649 OD1 ASP A 44 -19.304 -11.183 -7.553 1.00 0.00 O ATOM 650 OD2 ASP A 44 -19.946 -9.834 -9.145 1.00 0.00 O ATOM 0 H ASP A 44 -16.644 -12.161 -7.724 1.00 0.00 H new ATOM 0 HA ASP A 44 -17.278 -11.135 -10.430 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -17.100 -9.752 -7.707 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -17.560 -8.972 -9.207 1.00 0.00 H new ATOM 655 N CYS A 45 -15.214 -9.669 -10.780 1.00 0.00 N ATOM 656 CA CYS A 45 -13.914 -9.111 -11.196 1.00 0.00 C ATOM 657 C CYS A 45 -13.465 -8.070 -10.152 1.00 0.00 C ATOM 658 O CYS A 45 -14.145 -7.054 -9.989 1.00 0.00 O ATOM 659 CB CYS A 45 -14.052 -8.464 -12.597 1.00 0.00 C ATOM 660 SG CYS A 45 -12.503 -8.276 -13.533 1.00 0.00 S ATOM 0 H CYS A 45 -15.995 -9.354 -11.355 1.00 0.00 H new ATOM 0 HA CYS A 45 -13.164 -9.900 -11.257 1.00 0.00 H new ATOM 0 HB2 CYS A 45 -14.742 -9.065 -13.189 1.00 0.00 H new ATOM 0 HB3 CYS A 45 -14.506 -7.480 -12.480 1.00 0.00 H new ATOM 665 N PHE A 46 -12.337 -8.347 -9.454 1.00 0.00 N ATOM 666 CA PHE A 46 -11.794 -7.479 -8.364 1.00 0.00 C ATOM 667 C PHE A 46 -11.695 -5.994 -8.773 1.00 0.00 C ATOM 668 O PHE A 46 -11.871 -5.092 -7.947 1.00 0.00 O ATOM 669 CB PHE A 46 -10.372 -7.948 -7.946 1.00 0.00 C ATOM 670 CG PHE A 46 -10.296 -9.360 -7.366 1.00 0.00 C ATOM 671 CD1 PHE A 46 -10.758 -9.629 -6.077 1.00 0.00 C ATOM 672 CD2 PHE A 46 -9.739 -10.407 -8.097 1.00 0.00 C ATOM 673 CE1 PHE A 46 -10.661 -10.899 -5.542 1.00 0.00 C ATOM 674 CE2 PHE A 46 -9.649 -11.673 -7.560 1.00 0.00 C ATOM 675 CZ PHE A 46 -10.107 -11.918 -6.286 1.00 0.00 C ATOM 0 H PHE A 46 -11.772 -9.179 -9.626 1.00 0.00 H new ATOM 0 HA PHE A 46 -12.497 -7.570 -7.536 1.00 0.00 H new ATOM 0 HB2 PHE A 46 -9.719 -7.895 -8.817 1.00 0.00 H new ATOM 0 HB3 PHE A 46 -9.978 -7.248 -7.209 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -11.197 -8.835 -5.491 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -9.373 -10.224 -9.097 1.00 0.00 H new ATOM 0 HE1 PHE A 46 -11.019 -11.093 -4.542 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -9.218 -12.475 -8.141 1.00 0.00 H new ATOM 0 HZ PHE A 46 -10.032 -12.911 -5.868 1.00 0.00 H new ATOM 685 N PHE A 47 -11.385 -5.776 -10.056 1.00 0.00 N ATOM 686 CA PHE A 47 -11.029 -4.458 -10.591 1.00 0.00 C ATOM 687 C PHE A 47 -12.250 -3.684 -11.136 1.00 0.00 C ATOM 688 O PHE A 47 -12.236 -2.451 -11.115 1.00 0.00 O ATOM 689 CB PHE A 47 -9.967 -4.628 -11.708 1.00 0.00 C ATOM 690 CG PHE A 47 -8.705 -5.379 -11.259 1.00 0.00 C ATOM 691 CD1 PHE A 47 -7.645 -4.707 -10.645 1.00 0.00 C ATOM 692 CD2 PHE A 47 -8.596 -6.765 -11.425 1.00 0.00 C ATOM 693 CE1 PHE A 47 -6.510 -5.389 -10.238 1.00 0.00 C ATOM 694 CE2 PHE A 47 -7.461 -7.443 -11.018 1.00 0.00 C ATOM 695 CZ PHE A 47 -6.423 -6.756 -10.417 1.00 0.00 C ATOM 0 H PHE A 47 -11.374 -6.516 -10.758 1.00 0.00 H new ATOM 0 HA PHE A 47 -10.625 -3.868 -9.768 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -10.417 -5.162 -12.545 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -9.680 -3.643 -12.076 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -7.711 -3.641 -10.485 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -9.410 -7.313 -11.877 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -5.693 -4.852 -9.780 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -7.386 -8.510 -11.170 1.00 0.00 H new ATOM 0 HZ PHE A 47 -5.543 -7.288 -10.087 1.00 0.00 H new ATOM 705 N CYS A 48 -13.316 -4.386 -11.614 1.00 0.00 N ATOM 706 CA CYS A 48 -14.413 -3.703 -12.368 1.00 0.00 C ATOM 707 C CYS A 48 -15.798 -4.384 -12.190 1.00 0.00 C ATOM 708 O CYS A 48 -16.681 -4.213 -13.037 1.00 0.00 O ATOM 709 CB CYS A 48 -14.046 -3.622 -13.876 1.00 0.00 C ATOM 710 SG CYS A 48 -14.357 -5.160 -14.802 1.00 0.00 S ATOM 0 H CYS A 48 -13.440 -5.392 -11.498 1.00 0.00 H new ATOM 0 HA CYS A 48 -14.506 -2.701 -11.950 1.00 0.00 H new ATOM 0 HB2 CYS A 48 -14.615 -2.813 -14.334 1.00 0.00 H new ATOM 0 HB3 CYS A 48 -12.992 -3.362 -13.969 1.00 0.00 H new ATOM 715 N LYS A 49 -15.981 -5.147 -11.090 1.00 0.00 N ATOM 716 CA LYS A 49 -17.287 -5.762 -10.666 1.00 0.00 C ATOM 717 C LYS A 49 -17.790 -6.939 -11.540 1.00 0.00 C ATOM 718 O LYS A 49 -18.516 -7.798 -11.026 1.00 0.00 O ATOM 719 CB LYS A 49 -18.420 -4.693 -10.560 1.00 0.00 C ATOM 720 CG LYS A 49 -18.204 -3.601 -9.489 1.00 0.00 C ATOM 721 CD LYS A 49 -19.267 -2.479 -9.582 1.00 0.00 C ATOM 722 CE LYS A 49 -19.169 -1.432 -8.457 1.00 0.00 C ATOM 723 NZ LYS A 49 -19.466 -2.022 -7.129 1.00 0.00 N ATOM 0 H LYS A 49 -15.218 -5.365 -10.450 1.00 0.00 H new ATOM 0 HA LYS A 49 -17.058 -6.182 -9.687 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -18.531 -4.209 -11.530 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -19.359 -5.204 -10.349 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -18.240 -4.053 -8.498 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -17.210 -3.169 -9.607 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -19.166 -1.975 -10.543 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -20.259 -2.929 -9.560 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -18.168 -1.001 -8.448 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -19.865 -0.617 -8.657 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -19.507 -1.267 -6.415 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -20.381 -2.515 -7.165 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -18.718 -2.699 -6.875 1.00 0.00 H new ATOM 737 N THR A 50 -17.428 -6.965 -12.835 1.00 0.00 N ATOM 738 CA THR A 50 -18.007 -7.889 -13.830 1.00 0.00 C ATOM 739 C THR A 50 -17.833 -9.369 -13.425 1.00 0.00 C ATOM 740 O THR A 50 -16.697 -9.855 -13.343 1.00 0.00 O ATOM 741 CB THR A 50 -17.358 -7.645 -15.229 1.00 0.00 C ATOM 742 OG1 THR A 50 -17.307 -6.232 -15.491 1.00 0.00 O ATOM 743 CG2 THR A 50 -18.135 -8.345 -16.363 1.00 0.00 C ATOM 0 H THR A 50 -16.721 -6.342 -13.224 1.00 0.00 H new ATOM 0 HA THR A 50 -19.077 -7.684 -13.877 1.00 0.00 H new ATOM 0 HB THR A 50 -16.354 -8.068 -15.205 1.00 0.00 H new ATOM 0 HG1 THR A 50 -16.411 -5.893 -15.283 1.00 0.00 H new ATOM 0 HG21 THR A 50 -17.645 -8.146 -17.316 1.00 0.00 H new ATOM 0 HG22 THR A 50 -18.153 -9.420 -16.182 1.00 0.00 H new ATOM 0 HG23 THR A 50 -19.156 -7.965 -16.393 1.00 0.00 H new ATOM 751 N THR A 51 -18.960 -10.057 -13.150 1.00 0.00 N ATOM 752 CA THR A 51 -18.966 -11.469 -12.743 1.00 0.00 C ATOM 753 C THR A 51 -18.272 -12.343 -13.811 1.00 0.00 C ATOM 754 O THR A 51 -18.629 -12.308 -14.995 1.00 0.00 O ATOM 755 CB THR A 51 -20.411 -12.003 -12.475 1.00 0.00 C ATOM 756 OG1 THR A 51 -21.105 -11.115 -11.575 1.00 0.00 O ATOM 757 CG2 THR A 51 -20.401 -13.437 -11.880 1.00 0.00 C ATOM 0 H THR A 51 -19.891 -9.644 -13.205 1.00 0.00 H new ATOM 0 HA THR A 51 -18.413 -11.532 -11.806 1.00 0.00 H new ATOM 0 HB THR A 51 -20.927 -12.042 -13.434 1.00 0.00 H new ATOM 0 HG1 THR A 51 -20.489 -10.811 -10.876 1.00 0.00 H new ATOM 0 HG21 THR A 51 -21.426 -13.768 -11.710 1.00 0.00 H new ATOM 0 HG22 THR A 51 -19.911 -14.117 -12.577 1.00 0.00 H new ATOM 0 HG23 THR A 51 -19.859 -13.435 -10.934 1.00 0.00 H new ATOM 765 N ILE A 52 -17.257 -13.073 -13.363 1.00 0.00 N ATOM 766 CA ILE A 52 -16.395 -13.906 -14.198 1.00 0.00 C ATOM 767 C ILE A 52 -17.177 -15.146 -14.668 1.00 0.00 C ATOM 768 O ILE A 52 -17.710 -15.896 -13.840 1.00 0.00 O ATOM 769 CB ILE A 52 -15.129 -14.350 -13.376 1.00 0.00 C ATOM 770 CG1 ILE A 52 -14.508 -13.136 -12.588 1.00 0.00 C ATOM 771 CG2 ILE A 52 -14.075 -15.007 -14.307 1.00 0.00 C ATOM 772 CD1 ILE A 52 -13.585 -13.537 -11.454 1.00 0.00 C ATOM 0 H ILE A 52 -17.002 -13.103 -12.376 1.00 0.00 H new ATOM 0 HA ILE A 52 -16.071 -13.335 -15.068 1.00 0.00 H new ATOM 0 HB ILE A 52 -15.446 -15.092 -12.643 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -13.955 -12.509 -13.287 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -15.317 -12.527 -12.185 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -13.207 -15.307 -13.720 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -14.509 -15.884 -14.786 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -13.767 -14.292 -15.070 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -13.201 -12.642 -10.964 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -14.137 -14.138 -10.731 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -12.753 -14.119 -11.850 1.00 0.00 H new ATOM 784 N VAL A 53 -17.269 -15.332 -15.990 1.00 0.00 N ATOM 785 CA VAL A 53 -17.954 -16.487 -16.590 1.00 0.00 C ATOM 786 C VAL A 53 -17.018 -17.709 -16.587 1.00 0.00 C ATOM 787 O VAL A 53 -17.475 -18.843 -16.404 1.00 0.00 O ATOM 788 CB VAL A 53 -18.444 -16.156 -18.051 1.00 0.00 C ATOM 789 CG1 VAL A 53 -19.060 -17.393 -18.768 1.00 0.00 C ATOM 790 CG2 VAL A 53 -19.448 -14.974 -18.023 1.00 0.00 C ATOM 0 H VAL A 53 -16.872 -14.688 -16.674 1.00 0.00 H new ATOM 0 HA VAL A 53 -18.835 -16.720 -15.993 1.00 0.00 H new ATOM 0 HB VAL A 53 -17.568 -15.866 -18.631 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -19.381 -17.110 -19.770 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -18.313 -18.184 -18.836 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -19.918 -17.753 -18.200 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -19.780 -14.754 -19.038 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -20.309 -15.242 -17.410 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -18.962 -14.094 -17.601 1.00 0.00 H new ATOM 800 N SER A 54 -15.697 -17.466 -16.766 1.00 0.00 N ATOM 801 CA SER A 54 -14.696 -18.541 -16.805 1.00 0.00 C ATOM 802 C SER A 54 -13.304 -17.999 -16.430 1.00 0.00 C ATOM 803 O SER A 54 -12.898 -16.924 -16.883 1.00 0.00 O ATOM 804 CB SER A 54 -14.689 -19.194 -18.207 1.00 0.00 C ATOM 805 OG SER A 54 -13.842 -20.320 -18.250 1.00 0.00 O ATOM 0 H SER A 54 -15.307 -16.531 -16.885 1.00 0.00 H new ATOM 0 HA SER A 54 -14.958 -19.303 -16.071 1.00 0.00 H new ATOM 0 HB2 SER A 54 -15.703 -19.490 -18.476 1.00 0.00 H new ATOM 0 HB3 SER A 54 -14.363 -18.464 -18.948 1.00 0.00 H new ATOM 0 HG SER A 54 -13.008 -20.085 -18.708 1.00 0.00 H new ATOM 811 N VAL A 55 -12.584 -18.753 -15.576 1.00 0.00 N ATOM 812 CA VAL A 55 -11.231 -18.394 -15.108 1.00 0.00 C ATOM 813 C VAL A 55 -10.193 -19.332 -15.742 1.00 0.00 C ATOM 814 O VAL A 55 -10.111 -20.519 -15.376 1.00 0.00 O ATOM 815 CB VAL A 55 -11.108 -18.491 -13.539 1.00 0.00 C ATOM 816 CG1 VAL A 55 -9.730 -17.968 -13.035 1.00 0.00 C ATOM 817 CG2 VAL A 55 -12.276 -17.756 -12.845 1.00 0.00 C ATOM 0 H VAL A 55 -12.927 -19.633 -15.190 1.00 0.00 H new ATOM 0 HA VAL A 55 -11.047 -17.362 -15.407 1.00 0.00 H new ATOM 0 HB VAL A 55 -11.169 -19.546 -13.271 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -9.684 -18.051 -11.949 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -8.931 -18.562 -13.479 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -9.609 -16.924 -13.324 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -12.167 -17.839 -11.764 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -12.266 -16.704 -13.132 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -13.221 -18.206 -13.149 1.00 0.00 H new ATOM 827 N GLU A 56 -9.427 -18.802 -16.702 1.00 0.00 N ATOM 828 CA GLU A 56 -8.290 -19.514 -17.319 1.00 0.00 C ATOM 829 C GLU A 56 -7.007 -19.137 -16.563 1.00 0.00 C ATOM 830 O GLU A 56 -6.859 -17.989 -16.149 1.00 0.00 O ATOM 831 CB GLU A 56 -8.177 -19.151 -18.840 1.00 0.00 C ATOM 832 CG GLU A 56 -9.123 -19.927 -19.794 1.00 0.00 C ATOM 833 CD GLU A 56 -10.603 -19.920 -19.371 1.00 0.00 C ATOM 834 OE1 GLU A 56 -11.229 -18.837 -19.344 1.00 0.00 O ATOM 835 OE2 GLU A 56 -11.156 -21.003 -19.065 1.00 0.00 O ATOM 0 H GLU A 56 -9.574 -17.865 -17.078 1.00 0.00 H new ATOM 0 HA GLU A 56 -8.444 -20.591 -17.251 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -8.372 -18.085 -18.955 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -7.149 -19.323 -19.159 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -9.042 -19.499 -20.793 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -8.782 -20.960 -19.861 1.00 0.00 H new ATOM 842 N ASP A 57 -6.087 -20.098 -16.362 1.00 0.00 N ATOM 843 CA ASP A 57 -4.771 -19.801 -15.767 1.00 0.00 C ATOM 844 C ASP A 57 -3.870 -19.199 -16.862 1.00 0.00 C ATOM 845 O ASP A 57 -3.631 -19.819 -17.904 1.00 0.00 O ATOM 846 CB ASP A 57 -4.127 -21.054 -15.104 1.00 0.00 C ATOM 847 CG ASP A 57 -3.816 -22.205 -16.074 1.00 0.00 C ATOM 848 OD1 ASP A 57 -4.759 -22.924 -16.470 1.00 0.00 O ATOM 849 OD2 ASP A 57 -2.638 -22.394 -16.451 1.00 0.00 O ATOM 0 H ASP A 57 -6.229 -21.080 -16.601 1.00 0.00 H new ATOM 0 HA ASP A 57 -4.895 -19.079 -14.960 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -3.203 -20.753 -14.611 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -4.797 -21.422 -14.327 1.00 0.00 H new ATOM 854 N TRP A 58 -3.429 -17.956 -16.650 1.00 0.00 N ATOM 855 CA TRP A 58 -2.646 -17.218 -17.638 1.00 0.00 C ATOM 856 C TRP A 58 -1.161 -17.591 -17.508 1.00 0.00 C ATOM 857 O TRP A 58 -0.495 -17.195 -16.543 1.00 0.00 O ATOM 858 CB TRP A 58 -2.850 -15.688 -17.479 1.00 0.00 C ATOM 859 CG TRP A 58 -2.169 -14.882 -18.566 1.00 0.00 C ATOM 860 CD1 TRP A 58 -2.624 -14.667 -19.837 1.00 0.00 C ATOM 861 CD2 TRP A 58 -0.902 -14.213 -18.480 1.00 0.00 C ATOM 862 NE1 TRP A 58 -1.727 -13.904 -20.536 1.00 0.00 N ATOM 863 CE2 TRP A 58 -0.662 -13.618 -19.728 1.00 0.00 C ATOM 864 CE3 TRP A 58 0.047 -14.058 -17.467 1.00 0.00 C ATOM 865 CZ2 TRP A 58 0.484 -12.883 -19.992 1.00 0.00 C ATOM 866 CZ3 TRP A 58 1.184 -13.329 -17.727 1.00 0.00 C ATOM 867 CH2 TRP A 58 1.398 -12.751 -18.983 1.00 0.00 C ATOM 0 H TRP A 58 -3.605 -17.436 -15.790 1.00 0.00 H new ATOM 0 HA TRP A 58 -2.991 -17.493 -18.635 1.00 0.00 H new ATOM 0 HB2 TRP A 58 -3.917 -15.467 -17.486 1.00 0.00 H new ATOM 0 HB3 TRP A 58 -2.466 -15.375 -16.508 1.00 0.00 H new ATOM 0 HD1 TRP A 58 -3.556 -15.044 -20.232 1.00 0.00 H new ATOM 0 HE1 TRP A 58 -1.836 -13.599 -21.503 1.00 0.00 H new ATOM 0 HE3 TRP A 58 -0.109 -14.503 -16.496 1.00 0.00 H new ATOM 0 HZ2 TRP A 58 0.649 -12.431 -20.959 1.00 0.00 H new ATOM 0 HZ3 TRP A 58 1.923 -13.201 -16.950 1.00 0.00 H new ATOM 0 HH2 TRP A 58 2.303 -12.189 -19.159 1.00 0.00 H new ATOM 878 N GLU A 59 -0.673 -18.390 -18.466 1.00 0.00 N ATOM 879 CA GLU A 59 0.758 -18.688 -18.617 1.00 0.00 C ATOM 880 C GLU A 59 1.411 -17.578 -19.465 1.00 0.00 C ATOM 881 O GLU A 59 0.880 -17.213 -20.520 1.00 0.00 O ATOM 882 CB GLU A 59 0.955 -20.065 -19.301 1.00 0.00 C ATOM 883 CG GLU A 59 2.434 -20.503 -19.443 1.00 0.00 C ATOM 884 CD GLU A 59 2.597 -21.845 -20.174 1.00 0.00 C ATOM 885 OE1 GLU A 59 2.270 -22.893 -19.584 1.00 0.00 O ATOM 886 OE2 GLU A 59 3.045 -21.860 -21.340 1.00 0.00 O ATOM 0 H GLU A 59 -1.262 -18.850 -19.161 1.00 0.00 H new ATOM 0 HA GLU A 59 1.226 -18.726 -17.634 1.00 0.00 H new ATOM 0 HB2 GLU A 59 0.418 -20.821 -18.729 1.00 0.00 H new ATOM 0 HB3 GLU A 59 0.501 -20.033 -20.292 1.00 0.00 H new ATOM 0 HG2 GLU A 59 2.985 -19.733 -19.983 1.00 0.00 H new ATOM 0 HG3 GLU A 59 2.881 -20.579 -18.452 1.00 0.00 H new ATOM 893 N LYS A 60 2.551 -17.049 -18.992 1.00 0.00 N ATOM 894 CA LYS A 60 3.327 -16.016 -19.711 1.00 0.00 C ATOM 895 C LYS A 60 4.100 -16.635 -20.895 1.00 0.00 C ATOM 896 O LYS A 60 4.394 -17.840 -20.897 1.00 0.00 O ATOM 897 CB LYS A 60 4.306 -15.303 -18.734 1.00 0.00 C ATOM 898 CG LYS A 60 5.324 -16.234 -18.035 1.00 0.00 C ATOM 899 CD LYS A 60 6.329 -15.455 -17.156 1.00 0.00 C ATOM 900 CE LYS A 60 7.395 -16.370 -16.530 1.00 0.00 C ATOM 901 NZ LYS A 60 8.395 -15.599 -15.764 1.00 0.00 N ATOM 0 H LYS A 60 2.964 -17.323 -18.100 1.00 0.00 H new ATOM 0 HA LYS A 60 2.631 -15.278 -20.110 1.00 0.00 H new ATOM 0 HB2 LYS A 60 4.854 -14.539 -19.286 1.00 0.00 H new ATOM 0 HB3 LYS A 60 3.723 -14.788 -17.970 1.00 0.00 H new ATOM 0 HG2 LYS A 60 4.788 -16.955 -17.417 1.00 0.00 H new ATOM 0 HG3 LYS A 60 5.869 -16.802 -18.788 1.00 0.00 H new ATOM 0 HD2 LYS A 60 6.819 -14.691 -17.760 1.00 0.00 H new ATOM 0 HD3 LYS A 60 5.789 -14.937 -16.364 1.00 0.00 H new ATOM 0 HE2 LYS A 60 6.913 -17.094 -15.873 1.00 0.00 H new ATOM 0 HE3 LYS A 60 7.896 -16.936 -17.316 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 9.097 -16.249 -15.357 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 8.873 -14.925 -16.396 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 7.920 -15.079 -14.999 1.00 0.00 H new ATOM 915 N GLY A 61 4.411 -15.800 -21.896 1.00 0.00 N ATOM 916 CA GLY A 61 5.158 -16.232 -23.073 1.00 0.00 C ATOM 917 C GLY A 61 5.363 -15.077 -24.050 1.00 0.00 C ATOM 918 O GLY A 61 4.474 -14.833 -24.895 1.00 0.00 O ATOM 919 OXT GLY A 61 6.391 -14.372 -23.944 1.00 0.00 O ATOM 0 H GLY A 61 4.151 -14.814 -21.908 1.00 0.00 H new ATOM 0 HA2 GLY A 61 6.126 -16.630 -22.767 1.00 0.00 H new ATOM 0 HA3 GLY A 61 4.623 -17.042 -23.570 1.00 0.00 H new TER 923 GLY A 61 HETATM 924 ZN ZN A 101 -3.397 -12.295 -5.968 1.00 0.00 ZN HETATM 925 ZN ZN A 102 -12.564 -6.615 -15.183 1.00 0.00 ZN