USER MOD reduce.3.24.130724 H: found=0, std=0, add=423, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 426 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 18 HIS HD1 : A 18 HIS ND1 : A 60 ZNZN :(H bumps) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot -57:sc= 0.845 USER MOD Single : A 17 ASN : amide:sc= -0.15 K(o=-0.15,f=-2) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 57 ASN : amide:sc= -0.0518 X(o=-0.052,f=0) USER MOD Single : A 59 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.0454) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 2 3.618 -14.668 -26.048 1.00 0.00 N ATOM 2 CA ALA A 2 4.315 -15.599 -25.124 1.00 0.00 C ATOM 3 C ALA A 2 4.765 -14.880 -23.857 1.00 0.00 C ATOM 4 O ALA A 2 5.736 -14.124 -23.872 1.00 0.00 O ATOM 5 CB ALA A 2 5.509 -16.237 -25.820 1.00 0.00 C ATOM 0 HA ALA A 2 3.612 -16.381 -24.838 1.00 0.00 H new ATOM 0 HB1 ALA A 2 6.011 -16.917 -25.132 1.00 0.00 H new ATOM 0 HB2 ALA A 2 5.167 -16.792 -26.694 1.00 0.00 H new ATOM 0 HB3 ALA A 2 6.205 -15.459 -26.134 1.00 0.00 H new ATOM 13 N SER A 3 4.051 -15.121 -22.761 1.00 0.00 N ATOM 14 CA SER A 3 4.377 -14.495 -21.485 1.00 0.00 C ATOM 15 C SER A 3 4.294 -12.976 -21.587 1.00 0.00 C ATOM 16 O SER A 3 5.129 -12.341 -22.232 1.00 0.00 O ATOM 17 CB SER A 3 5.777 -14.912 -21.031 1.00 0.00 C ATOM 18 OG SER A 3 5.721 -16.041 -20.176 1.00 0.00 O ATOM 0 H SER A 3 3.244 -15.744 -22.732 1.00 0.00 H new ATOM 0 HA SER A 3 3.648 -14.832 -20.747 1.00 0.00 H new ATOM 0 HB2 SER A 3 6.392 -15.141 -21.901 1.00 0.00 H new ATOM 0 HB3 SER A 3 6.257 -14.082 -20.512 1.00 0.00 H new ATOM 0 HG SER A 3 6.629 -16.289 -19.901 1.00 0.00 H new ATOM 24 N THR A 4 3.283 -12.399 -20.946 1.00 0.00 N ATOM 25 CA THR A 4 3.091 -10.952 -20.965 1.00 0.00 C ATOM 26 C THR A 4 3.246 -10.366 -19.565 1.00 0.00 C ATOM 27 O THR A 4 2.897 -11.003 -18.572 1.00 0.00 O ATOM 28 CB THR A 4 1.710 -10.608 -21.524 1.00 0.00 C ATOM 29 OG1 THR A 4 1.516 -9.205 -21.552 1.00 0.00 O ATOM 30 CG2 THR A 4 0.574 -11.213 -20.729 1.00 0.00 C ATOM 0 H THR A 4 2.584 -12.910 -20.407 1.00 0.00 H new ATOM 0 HA THR A 4 3.855 -10.516 -21.609 1.00 0.00 H new ATOM 0 HB THR A 4 1.692 -11.030 -22.529 1.00 0.00 H new ATOM 0 HG1 THR A 4 0.628 -9.005 -21.914 1.00 0.00 H new ATOM 0 HG21 THR A 4 -0.377 -10.929 -21.180 1.00 0.00 H new ATOM 0 HG22 THR A 4 0.667 -12.299 -20.730 1.00 0.00 H new ATOM 0 HG23 THR A 4 0.613 -10.847 -19.703 1.00 0.00 H new ATOM 38 N SER A 5 3.771 -9.148 -19.495 1.00 0.00 N ATOM 39 CA SER A 5 3.973 -8.474 -18.218 1.00 0.00 C ATOM 40 C SER A 5 2.823 -7.515 -17.922 1.00 0.00 C ATOM 41 O SER A 5 3.033 -6.416 -17.410 1.00 0.00 O ATOM 42 CB SER A 5 5.300 -7.713 -18.222 1.00 0.00 C ATOM 43 OG SER A 5 5.831 -7.604 -16.913 1.00 0.00 O ATOM 0 H SER A 5 4.065 -8.607 -20.308 1.00 0.00 H new ATOM 0 HA SER A 5 4.001 -9.232 -17.436 1.00 0.00 H new ATOM 0 HB2 SER A 5 6.015 -8.226 -18.866 1.00 0.00 H new ATOM 0 HB3 SER A 5 5.151 -6.718 -18.641 1.00 0.00 H new ATOM 0 HG SER A 5 6.680 -7.115 -16.944 1.00 0.00 H new ATOM 49 N ARG A 6 1.607 -7.941 -18.248 1.00 0.00 N ATOM 50 CA ARG A 6 0.424 -7.120 -18.017 1.00 0.00 C ATOM 51 C ARG A 6 -0.746 -7.976 -17.540 1.00 0.00 C ATOM 52 O ARG A 6 -1.302 -7.741 -16.467 1.00 0.00 O ATOM 53 CB ARG A 6 0.040 -6.372 -19.297 1.00 0.00 C ATOM 54 CG ARG A 6 0.046 -4.860 -19.140 1.00 0.00 C ATOM 55 CD ARG A 6 -1.363 -4.311 -18.970 1.00 0.00 C ATOM 56 NE ARG A 6 -2.197 -4.572 -20.141 1.00 0.00 N ATOM 57 CZ ARG A 6 -2.102 -3.896 -21.283 1.00 0.00 C ATOM 58 NH1 ARG A 6 -1.212 -2.921 -21.415 1.00 0.00 N ATOM 59 NH2 ARG A 6 -2.900 -4.198 -22.300 1.00 0.00 N ATOM 0 H ARG A 6 1.415 -8.849 -18.672 1.00 0.00 H new ATOM 0 HA ARG A 6 0.659 -6.394 -17.239 1.00 0.00 H new ATOM 0 HB2 ARG A 6 0.732 -6.650 -20.092 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -0.953 -6.693 -19.612 1.00 0.00 H new ATOM 0 HG2 ARG A 6 0.651 -4.585 -18.276 1.00 0.00 H new ATOM 0 HG3 ARG A 6 0.512 -4.404 -20.014 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -1.823 -4.760 -18.090 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -1.314 -3.237 -18.792 1.00 0.00 H new ATOM 0 HE ARG A 6 -2.892 -5.316 -20.079 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -0.595 -2.685 -20.638 1.00 0.00 H new ATOM 0 HH12 ARG A 6 -1.145 -2.407 -22.294 1.00 0.00 H new ATOM 0 HH21 ARG A 6 -3.585 -4.948 -22.205 1.00 0.00 H new ATOM 0 HH22 ARG A 6 -2.828 -3.680 -23.176 1.00 0.00 H new ATOM 73 N LEU A 7 -1.114 -8.967 -18.343 1.00 0.00 N ATOM 74 CA LEU A 7 -2.217 -9.859 -18.003 1.00 0.00 C ATOM 75 C LEU A 7 -3.517 -9.077 -17.841 1.00 0.00 C ATOM 76 O LEU A 7 -3.517 -7.845 -17.838 1.00 0.00 O ATOM 77 CB LEU A 7 -1.901 -10.626 -16.716 1.00 0.00 C ATOM 78 CG LEU A 7 -2.039 -12.146 -16.818 1.00 0.00 C ATOM 79 CD1 LEU A 7 -0.802 -12.752 -17.462 1.00 0.00 C ATOM 80 CD2 LEU A 7 -2.278 -12.752 -15.443 1.00 0.00 C ATOM 0 H LEU A 7 -0.665 -9.174 -19.235 1.00 0.00 H new ATOM 0 HA LEU A 7 -2.343 -10.571 -18.819 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -0.882 -10.389 -16.410 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -2.562 -10.269 -15.926 1.00 0.00 H new ATOM 0 HG LEU A 7 -2.899 -12.373 -17.448 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -0.918 -13.834 -17.526 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -0.675 -12.341 -18.463 1.00 0.00 H new ATOM 0 HD13 LEU A 7 0.075 -12.516 -16.859 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -2.374 -13.834 -15.534 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -1.438 -12.516 -14.790 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -3.194 -12.341 -15.018 1.00 0.00 H new ATOM 92 N ASP A 8 -4.625 -9.800 -17.707 1.00 0.00 N ATOM 93 CA ASP A 8 -5.932 -9.174 -17.546 1.00 0.00 C ATOM 94 C ASP A 8 -6.525 -9.498 -16.177 1.00 0.00 C ATOM 95 O ASP A 8 -6.406 -10.621 -15.689 1.00 0.00 O ATOM 96 CB ASP A 8 -6.884 -9.640 -18.649 1.00 0.00 C ATOM 97 CG ASP A 8 -6.857 -8.727 -19.859 1.00 0.00 C ATOM 98 OD1 ASP A 8 -7.184 -7.531 -19.708 1.00 0.00 O ATOM 99 OD2 ASP A 8 -6.508 -9.208 -20.958 1.00 0.00 O ATOM 0 H ASP A 8 -4.643 -10.820 -17.707 1.00 0.00 H new ATOM 0 HA ASP A 8 -5.801 -8.094 -17.620 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -6.615 -10.651 -18.954 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -7.899 -9.686 -18.254 1.00 0.00 H new ATOM 104 N ALA A 9 -7.164 -8.507 -15.565 1.00 0.00 N ATOM 105 CA ALA A 9 -7.775 -8.685 -14.254 1.00 0.00 C ATOM 106 C ALA A 9 -6.732 -9.070 -13.210 1.00 0.00 C ATOM 107 O ALA A 9 -6.924 -10.012 -12.441 1.00 0.00 O ATOM 108 CB ALA A 9 -8.871 -9.739 -14.324 1.00 0.00 C ATOM 0 H ALA A 9 -7.272 -7.571 -15.957 1.00 0.00 H new ATOM 0 HA ALA A 9 -8.217 -7.735 -13.953 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -9.320 -9.863 -13.339 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -9.635 -9.423 -15.034 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -8.444 -10.687 -14.650 1.00 0.00 H new ATOM 114 N LEU A 10 -5.625 -8.333 -13.189 1.00 0.00 N ATOM 115 CA LEU A 10 -4.550 -8.597 -12.239 1.00 0.00 C ATOM 116 C LEU A 10 -4.101 -7.307 -11.554 1.00 0.00 C ATOM 117 O LEU A 10 -2.929 -6.935 -11.617 1.00 0.00 O ATOM 118 CB LEU A 10 -3.365 -9.255 -12.949 1.00 0.00 C ATOM 119 CG LEU A 10 -2.576 -10.255 -12.104 1.00 0.00 C ATOM 120 CD1 LEU A 10 -2.126 -9.614 -10.799 1.00 0.00 C ATOM 121 CD2 LEU A 10 -3.412 -11.496 -11.830 1.00 0.00 C ATOM 0 H LEU A 10 -5.449 -7.550 -13.818 1.00 0.00 H new ATOM 0 HA LEU A 10 -4.929 -9.277 -11.476 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -3.733 -9.766 -13.839 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -2.685 -8.473 -13.288 1.00 0.00 H new ATOM 0 HG LEU A 10 -1.689 -10.554 -12.662 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -1.566 -10.341 -10.211 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -1.490 -8.755 -11.016 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -2.999 -9.286 -10.235 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -2.835 -12.198 -11.227 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -4.317 -11.214 -11.292 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -3.684 -11.967 -12.774 1.00 0.00 H new ATOM 133 N PRO A 11 -5.033 -6.605 -10.885 1.00 0.00 N ATOM 134 CA PRO A 11 -4.726 -5.354 -10.184 1.00 0.00 C ATOM 135 C PRO A 11 -3.875 -5.581 -8.941 1.00 0.00 C ATOM 136 O PRO A 11 -3.521 -6.714 -8.617 1.00 0.00 O ATOM 137 CB PRO A 11 -6.105 -4.817 -9.798 1.00 0.00 C ATOM 138 CG PRO A 11 -6.972 -6.025 -9.715 1.00 0.00 C ATOM 139 CD PRO A 11 -6.454 -6.978 -10.757 1.00 0.00 C ATOM 0 HA PRO A 11 -4.146 -4.670 -10.804 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -6.071 -4.288 -8.846 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -6.478 -4.112 -10.541 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -6.926 -6.471 -8.721 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -8.015 -5.771 -9.903 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -6.570 -8.016 -10.446 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -6.985 -6.867 -11.702 1.00 0.00 H new ATOM 147 N ARG A 12 -3.549 -4.495 -8.246 1.00 0.00 N ATOM 148 CA ARG A 12 -2.742 -4.572 -7.040 1.00 0.00 C ATOM 149 C ARG A 12 -3.515 -5.237 -5.906 1.00 0.00 C ATOM 150 O ARG A 12 -3.887 -4.588 -4.928 1.00 0.00 O ATOM 151 CB ARG A 12 -2.297 -3.170 -6.621 1.00 0.00 C ATOM 152 CG ARG A 12 -3.439 -2.171 -6.525 1.00 0.00 C ATOM 153 CD ARG A 12 -2.995 -0.881 -5.853 1.00 0.00 C ATOM 154 NE ARG A 12 -3.977 -0.401 -4.883 1.00 0.00 N ATOM 155 CZ ARG A 12 -5.201 0.011 -5.208 1.00 0.00 C ATOM 156 NH1 ARG A 12 -5.597 0.000 -6.475 1.00 0.00 N ATOM 157 NH2 ARG A 12 -6.030 0.434 -4.263 1.00 0.00 N ATOM 0 H ARG A 12 -3.834 -3.550 -8.501 1.00 0.00 H new ATOM 0 HA ARG A 12 -1.863 -5.180 -7.254 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -1.797 -3.231 -5.655 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -1.563 -2.802 -7.338 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -3.817 -1.951 -7.524 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -4.263 -2.611 -5.963 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -2.041 -1.043 -5.352 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -2.831 -0.115 -6.611 1.00 0.00 H new ATOM 0 HE ARG A 12 -3.709 -0.380 -3.899 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -4.963 -0.325 -7.205 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -6.535 0.317 -6.719 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -5.730 0.444 -3.288 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -6.968 0.750 -4.511 1.00 0.00 H new ATOM 171 N VAL A 13 -3.758 -6.536 -6.046 1.00 0.00 N ATOM 172 CA VAL A 13 -4.489 -7.289 -5.033 1.00 0.00 C ATOM 173 C VAL A 13 -4.171 -8.779 -5.119 1.00 0.00 C ATOM 174 O VAL A 13 -4.146 -9.358 -6.205 1.00 0.00 O ATOM 175 CB VAL A 13 -6.012 -7.087 -5.174 1.00 0.00 C ATOM 176 CG1 VAL A 13 -6.497 -7.585 -6.528 1.00 0.00 C ATOM 177 CG2 VAL A 13 -6.753 -7.786 -4.043 1.00 0.00 C ATOM 0 H VAL A 13 -3.460 -7.089 -6.850 1.00 0.00 H new ATOM 0 HA VAL A 13 -4.169 -6.910 -4.063 1.00 0.00 H new ATOM 0 HB VAL A 13 -6.223 -6.020 -5.110 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -7.574 -7.433 -6.607 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -5.993 -7.032 -7.321 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -6.272 -8.647 -6.627 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -7.826 -7.632 -4.161 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -6.535 -8.854 -4.070 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -6.430 -7.374 -3.087 1.00 0.00 H new ATOM 187 N THR A 14 -3.929 -9.393 -3.964 1.00 0.00 N ATOM 188 CA THR A 14 -3.615 -10.816 -3.899 1.00 0.00 C ATOM 189 C THR A 14 -2.384 -11.147 -4.739 1.00 0.00 C ATOM 190 O THR A 14 -1.967 -10.360 -5.588 1.00 0.00 O ATOM 191 CB THR A 14 -4.807 -11.651 -4.372 1.00 0.00 C ATOM 192 OG1 THR A 14 -4.879 -11.669 -5.787 1.00 0.00 O ATOM 193 CG2 THR A 14 -6.137 -11.149 -3.851 1.00 0.00 C ATOM 0 H THR A 14 -3.945 -8.925 -3.058 1.00 0.00 H new ATOM 0 HA THR A 14 -3.399 -11.061 -2.859 1.00 0.00 H new ATOM 0 HB THR A 14 -4.633 -12.650 -3.973 1.00 0.00 H new ATOM 0 HG1 THR A 14 -4.929 -10.750 -6.124 1.00 0.00 H new ATOM 0 HG21 THR A 14 -6.938 -11.787 -4.225 1.00 0.00 H new ATOM 0 HG22 THR A 14 -6.133 -11.172 -2.761 1.00 0.00 H new ATOM 0 HG23 THR A 14 -6.298 -10.126 -4.191 1.00 0.00 H new ATOM 201 N CYS A 15 -1.810 -12.320 -4.494 1.00 0.00 N ATOM 202 CA CYS A 15 -0.629 -12.763 -5.226 1.00 0.00 C ATOM 203 C CYS A 15 -0.974 -13.045 -6.689 1.00 0.00 C ATOM 204 O CYS A 15 -1.989 -13.676 -6.981 1.00 0.00 O ATOM 205 CB CYS A 15 -0.049 -14.020 -4.572 1.00 0.00 C ATOM 206 SG CYS A 15 1.499 -14.596 -5.306 1.00 0.00 S ATOM 0 H CYS A 15 -2.144 -12.982 -3.793 1.00 0.00 H new ATOM 0 HA CYS A 15 0.115 -11.967 -5.195 1.00 0.00 H new ATOM 0 HB2 CYS A 15 0.117 -13.821 -3.513 1.00 0.00 H new ATOM 0 HB3 CYS A 15 -0.786 -14.820 -4.634 1.00 0.00 H new ATOM 211 N PRO A 16 -0.135 -12.577 -7.631 1.00 0.00 N ATOM 212 CA PRO A 16 -0.366 -12.784 -9.066 1.00 0.00 C ATOM 213 C PRO A 16 -0.292 -14.256 -9.464 1.00 0.00 C ATOM 214 O PRO A 16 -0.878 -14.666 -10.466 1.00 0.00 O ATOM 215 CB PRO A 16 0.763 -11.993 -9.734 1.00 0.00 C ATOM 216 CG PRO A 16 1.822 -11.884 -8.692 1.00 0.00 C ATOM 217 CD PRO A 16 1.100 -11.811 -7.378 1.00 0.00 C ATOM 0 HA PRO A 16 -1.363 -12.459 -9.363 1.00 0.00 H new ATOM 0 HB2 PRO A 16 1.133 -12.506 -10.622 1.00 0.00 H new ATOM 0 HB3 PRO A 16 0.421 -11.009 -10.054 1.00 0.00 H new ATOM 0 HG2 PRO A 16 2.491 -12.744 -8.723 1.00 0.00 H new ATOM 0 HG3 PRO A 16 2.436 -10.997 -8.850 1.00 0.00 H new ATOM 0 HD2 PRO A 16 1.687 -12.249 -6.571 1.00 0.00 H new ATOM 0 HD3 PRO A 16 0.884 -10.781 -7.093 1.00 0.00 H new ATOM 225 N ASN A 17 0.432 -15.044 -8.677 1.00 0.00 N ATOM 226 CA ASN A 17 0.583 -16.470 -8.952 1.00 0.00 C ATOM 227 C ASN A 17 -0.113 -17.323 -7.892 1.00 0.00 C ATOM 228 O ASN A 17 -0.237 -18.538 -8.050 1.00 0.00 O ATOM 229 CB ASN A 17 2.065 -16.839 -9.026 1.00 0.00 C ATOM 230 CG ASN A 17 2.290 -18.202 -9.651 1.00 0.00 C ATOM 231 OD1 ASN A 17 1.371 -18.802 -10.209 1.00 0.00 O ATOM 232 ND2 ASN A 17 3.518 -18.700 -9.560 1.00 0.00 N ATOM 0 H ASN A 17 0.924 -14.721 -7.844 1.00 0.00 H new ATOM 0 HA ASN A 17 0.110 -16.674 -9.913 1.00 0.00 H new ATOM 0 HB2 ASN A 17 2.596 -16.084 -9.606 1.00 0.00 H new ATOM 0 HB3 ASN A 17 2.490 -16.828 -8.022 1.00 0.00 H new ATOM 0 HD21 ASN A 17 3.729 -19.614 -9.961 1.00 0.00 H new ATOM 0 HD22 ASN A 17 4.250 -18.169 -9.089 1.00 0.00 H new ATOM 239 N HIS A 18 -0.565 -16.689 -6.812 1.00 0.00 N ATOM 240 CA HIS A 18 -1.244 -17.405 -5.738 1.00 0.00 C ATOM 241 C HIS A 18 -2.569 -16.734 -5.383 1.00 0.00 C ATOM 242 O HIS A 18 -2.649 -15.970 -4.421 1.00 0.00 O ATOM 243 CB HIS A 18 -0.349 -17.483 -4.499 1.00 0.00 C ATOM 244 CG HIS A 18 0.872 -18.325 -4.695 1.00 0.00 C ATOM 245 ND1 HIS A 18 2.132 -17.836 -4.433 1.00 0.00 N ATOM 246 CD2 HIS A 18 0.968 -19.605 -5.125 1.00 0.00 C ATOM 247 CE1 HIS A 18 2.959 -18.834 -4.708 1.00 0.00 C ATOM 248 NE2 HIS A 18 2.299 -19.922 -5.131 1.00 0.00 N ATOM 0 H HIS A 18 -0.473 -15.685 -6.659 1.00 0.00 H new ATOM 0 HA HIS A 18 -1.454 -18.415 -6.089 1.00 0.00 H new ATOM 0 HB2 HIS A 18 -0.044 -16.475 -4.217 1.00 0.00 H new ATOM 0 HB3 HIS A 18 -0.928 -17.885 -3.667 1.00 0.00 H new ATOM 0 HD2 HIS A 18 0.151 -20.252 -5.409 1.00 0.00 H new ATOM 0 HE1 HIS A 18 4.033 -18.778 -4.604 1.00 0.00 H new ATOM 0 HE2 HIS A 18 2.710 -20.814 -5.405 1.00 0.00 H new ATOM 256 N PRO A 19 -3.631 -17.016 -6.156 1.00 0.00 N ATOM 257 CA PRO A 19 -4.958 -16.439 -5.915 1.00 0.00 C ATOM 258 C PRO A 19 -5.561 -16.911 -4.598 1.00 0.00 C ATOM 259 O PRO A 19 -6.298 -16.176 -3.941 1.00 0.00 O ATOM 260 CB PRO A 19 -5.793 -16.943 -7.097 1.00 0.00 C ATOM 261 CG PRO A 19 -5.085 -18.165 -7.572 1.00 0.00 C ATOM 262 CD PRO A 19 -3.625 -17.921 -7.319 1.00 0.00 C ATOM 0 HA PRO A 19 -4.920 -15.352 -5.840 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -6.814 -17.172 -6.791 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -5.857 -16.192 -7.884 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -5.431 -19.049 -7.037 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -5.274 -18.339 -8.631 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -3.093 -18.848 -7.105 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -3.138 -17.466 -8.181 1.00 0.00 H new ATOM 270 N ASP A 20 -5.240 -18.144 -4.214 1.00 0.00 N ATOM 271 CA ASP A 20 -5.748 -18.714 -2.973 1.00 0.00 C ATOM 272 C ASP A 20 -5.094 -18.051 -1.765 1.00 0.00 C ATOM 273 O ASP A 20 -5.750 -17.785 -0.759 1.00 0.00 O ATOM 274 CB ASP A 20 -5.496 -20.223 -2.941 1.00 0.00 C ATOM 275 CG ASP A 20 -6.617 -21.011 -3.590 1.00 0.00 C ATOM 276 OD1 ASP A 20 -7.788 -20.798 -3.213 1.00 0.00 O ATOM 277 OD2 ASP A 20 -6.322 -21.841 -4.476 1.00 0.00 O ATOM 0 H ASP A 20 -4.631 -18.766 -4.745 1.00 0.00 H new ATOM 0 HA ASP A 20 -6.822 -18.531 -2.929 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -4.558 -20.443 -3.452 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -5.379 -20.547 -1.907 1.00 0.00 H new ATOM 282 N ALA A 21 -3.798 -17.784 -1.876 1.00 0.00 N ATOM 283 CA ALA A 21 -3.053 -17.149 -0.796 1.00 0.00 C ATOM 284 C ALA A 21 -2.787 -15.680 -1.108 1.00 0.00 C ATOM 285 O ALA A 21 -1.945 -15.355 -1.945 1.00 0.00 O ATOM 286 CB ALA A 21 -1.744 -17.885 -0.554 1.00 0.00 C ATOM 0 H ALA A 21 -3.241 -17.998 -2.704 1.00 0.00 H new ATOM 0 HA ALA A 21 -3.657 -17.199 0.110 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -1.198 -17.400 0.255 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -1.953 -18.919 -0.281 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -1.141 -17.864 -1.462 1.00 0.00 H new ATOM 292 N ILE A 22 -3.512 -14.797 -0.431 1.00 0.00 N ATOM 293 CA ILE A 22 -3.359 -13.362 -0.636 1.00 0.00 C ATOM 294 C ILE A 22 -2.201 -12.808 0.186 1.00 0.00 C ATOM 295 O ILE A 22 -2.019 -13.175 1.347 1.00 0.00 O ATOM 296 CB ILE A 22 -4.647 -12.602 -0.265 1.00 0.00 C ATOM 297 CG1 ILE A 22 -5.860 -13.250 -0.935 1.00 0.00 C ATOM 298 CG2 ILE A 22 -4.533 -11.138 -0.661 1.00 0.00 C ATOM 299 CD1 ILE A 22 -6.653 -14.148 -0.011 1.00 0.00 C ATOM 0 H ILE A 22 -4.213 -15.050 0.266 1.00 0.00 H new ATOM 0 HA ILE A 22 -3.150 -13.215 -1.696 1.00 0.00 H new ATOM 0 HB ILE A 22 -4.783 -12.655 0.815 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -6.515 -12.467 -1.318 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -5.523 -13.832 -1.793 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -5.451 -10.616 -0.392 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -3.691 -10.684 -0.138 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -4.375 -11.063 -1.737 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -7.498 -14.573 -0.553 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -6.013 -14.952 0.352 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -7.020 -13.567 0.835 1.00 0.00 H new ATOM 311 N LEU A 23 -1.423 -11.915 -0.421 1.00 0.00 N ATOM 312 CA LEU A 23 -0.285 -11.301 0.256 1.00 0.00 C ATOM 313 C LEU A 23 -0.715 -10.685 1.586 1.00 0.00 C ATOM 314 O LEU A 23 -1.442 -9.691 1.615 1.00 0.00 O ATOM 315 CB LEU A 23 0.344 -10.229 -0.636 1.00 0.00 C ATOM 316 CG LEU A 23 1.490 -10.720 -1.520 1.00 0.00 C ATOM 317 CD1 LEU A 23 0.948 -11.423 -2.755 1.00 0.00 C ATOM 318 CD2 LEU A 23 2.393 -9.563 -1.916 1.00 0.00 C ATOM 0 H LEU A 23 -1.561 -11.601 -1.382 1.00 0.00 H new ATOM 0 HA LEU A 23 0.453 -12.077 0.456 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -0.432 -9.806 -1.274 1.00 0.00 H new ATOM 0 HB3 LEU A 23 0.712 -9.421 -0.004 1.00 0.00 H new ATOM 0 HG LEU A 23 2.081 -11.436 -0.949 1.00 0.00 H new ATOM 0 HD11 LEU A 23 1.778 -11.766 -3.372 1.00 0.00 H new ATOM 0 HD12 LEU A 23 0.344 -12.278 -2.451 1.00 0.00 H new ATOM 0 HD13 LEU A 23 0.332 -10.729 -3.328 1.00 0.00 H new ATOM 0 HD21 LEU A 23 3.203 -9.932 -2.545 1.00 0.00 H new ATOM 0 HD22 LEU A 23 1.814 -8.822 -2.467 1.00 0.00 H new ATOM 0 HD23 LEU A 23 2.810 -9.104 -1.020 1.00 0.00 H new ATOM 330 N VAL A 24 -0.267 -11.286 2.681 1.00 0.00 N ATOM 331 CA VAL A 24 -0.609 -10.804 4.015 1.00 0.00 C ATOM 332 C VAL A 24 -0.146 -9.364 4.216 1.00 0.00 C ATOM 333 O VAL A 24 0.722 -8.874 3.495 1.00 0.00 O ATOM 334 CB VAL A 24 0.017 -11.687 5.113 1.00 0.00 C ATOM 335 CG1 VAL A 24 -0.514 -11.295 6.483 1.00 0.00 C ATOM 336 CG2 VAL A 24 -0.244 -13.161 4.833 1.00 0.00 C ATOM 0 H VAL A 24 0.335 -12.109 2.672 1.00 0.00 H new ATOM 0 HA VAL A 24 -1.695 -10.851 4.096 1.00 0.00 H new ATOM 0 HB VAL A 24 1.095 -11.527 5.107 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -0.060 -11.930 7.244 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -0.266 -10.253 6.685 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -1.596 -11.421 6.503 1.00 0.00 H new ATOM 0 HG21 VAL A 24 0.206 -13.766 5.620 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -1.319 -13.342 4.806 1.00 0.00 H new ATOM 0 HG23 VAL A 24 0.193 -13.432 3.872 1.00 0.00 H new ATOM 346 N GLU A 25 -0.733 -8.693 5.202 1.00 0.00 N ATOM 347 CA GLU A 25 -0.384 -7.309 5.503 1.00 0.00 C ATOM 348 C GLU A 25 0.513 -7.231 6.734 1.00 0.00 C ATOM 349 O GLU A 25 0.444 -8.086 7.618 1.00 0.00 O ATOM 350 CB GLU A 25 -1.651 -6.482 5.727 1.00 0.00 C ATOM 351 CG GLU A 25 -2.473 -6.942 6.921 1.00 0.00 C ATOM 352 CD GLU A 25 -2.531 -5.905 8.025 1.00 0.00 C ATOM 353 OE1 GLU A 25 -1.468 -5.587 8.599 1.00 0.00 O ATOM 354 OE2 GLU A 25 -3.640 -5.411 8.319 1.00 0.00 O ATOM 0 H GLU A 25 -1.454 -9.086 5.807 1.00 0.00 H new ATOM 0 HA GLU A 25 0.162 -6.902 4.652 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -1.373 -5.437 5.868 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -2.269 -6.529 4.831 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -3.486 -7.174 6.592 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -2.047 -7.864 7.316 1.00 0.00 H new ATOM 361 N ASP A 26 1.355 -6.202 6.788 1.00 0.00 N ATOM 362 CA ASP A 26 2.263 -6.020 7.915 1.00 0.00 C ATOM 363 C ASP A 26 2.530 -4.540 8.175 1.00 0.00 C ATOM 364 O ASP A 26 2.763 -3.766 7.247 1.00 0.00 O ATOM 365 CB ASP A 26 3.583 -6.749 7.653 1.00 0.00 C ATOM 366 CG ASP A 26 3.581 -8.164 8.198 1.00 0.00 C ATOM 367 OD1 ASP A 26 2.994 -8.382 9.279 1.00 0.00 O ATOM 368 OD2 ASP A 26 4.165 -9.053 7.546 1.00 0.00 O ATOM 0 H ASP A 26 1.427 -5.484 6.067 1.00 0.00 H new ATOM 0 HA ASP A 26 1.788 -6.442 8.801 1.00 0.00 H new ATOM 0 HB2 ASP A 26 3.773 -6.776 6.580 1.00 0.00 H new ATOM 0 HB3 ASP A 26 4.400 -6.189 8.107 1.00 0.00 H new ATOM 373 N TYR A 27 2.501 -4.157 9.449 1.00 0.00 N ATOM 374 CA TYR A 27 2.745 -2.773 9.842 1.00 0.00 C ATOM 375 C TYR A 27 1.765 -1.823 9.159 1.00 0.00 C ATOM 376 O TYR A 27 2.117 -1.141 8.196 1.00 0.00 O ATOM 377 CB TYR A 27 4.181 -2.371 9.504 1.00 0.00 C ATOM 378 CG TYR A 27 4.596 -1.043 10.099 1.00 0.00 C ATOM 379 CD1 TYR A 27 5.166 -0.975 11.364 1.00 0.00 C ATOM 380 CD2 TYR A 27 4.416 0.141 9.395 1.00 0.00 C ATOM 381 CE1 TYR A 27 5.546 0.236 11.911 1.00 0.00 C ATOM 382 CE2 TYR A 27 4.793 1.355 9.935 1.00 0.00 C ATOM 383 CZ TYR A 27 5.358 1.397 11.193 1.00 0.00 C ATOM 384 OH TYR A 27 5.735 2.606 11.733 1.00 0.00 O ATOM 0 H TYR A 27 2.310 -4.788 10.228 1.00 0.00 H new ATOM 0 HA TYR A 27 2.596 -2.701 10.919 1.00 0.00 H new ATOM 0 HB2 TYR A 27 4.859 -3.146 9.860 1.00 0.00 H new ATOM 0 HB3 TYR A 27 4.290 -2.324 8.421 1.00 0.00 H new ATOM 0 HD1 TYR A 27 5.315 -1.883 11.929 1.00 0.00 H new ATOM 0 HD2 TYR A 27 3.974 0.112 8.410 1.00 0.00 H new ATOM 0 HE1 TYR A 27 5.988 0.272 12.896 1.00 0.00 H new ATOM 0 HE2 TYR A 27 4.646 2.267 9.375 1.00 0.00 H new ATOM 0 HH TYR A 27 5.535 3.325 11.098 1.00 0.00 H new ATOM 394 N ARG A 28 0.536 -1.781 9.665 1.00 0.00 N ATOM 395 CA ARG A 28 -0.493 -0.909 9.104 1.00 0.00 C ATOM 396 C ARG A 28 -0.707 -1.187 7.623 1.00 0.00 C ATOM 397 O ARG A 28 -1.189 -0.334 6.878 1.00 0.00 O ATOM 398 CB ARG A 28 -0.100 0.549 9.295 1.00 0.00 C ATOM 399 CG ARG A 28 -0.620 1.161 10.585 1.00 0.00 C ATOM 400 CD ARG A 28 0.385 1.017 11.719 1.00 0.00 C ATOM 401 NE ARG A 28 0.752 2.310 12.292 1.00 0.00 N ATOM 402 CZ ARG A 28 -0.054 3.036 13.065 1.00 0.00 C ATOM 403 NH1 ARG A 28 -1.272 2.598 13.360 1.00 0.00 N ATOM 404 NH2 ARG A 28 0.359 4.201 13.544 1.00 0.00 N ATOM 0 H ARG A 28 0.228 -2.339 10.461 1.00 0.00 H new ATOM 0 HA ARG A 28 -1.426 -1.111 9.630 1.00 0.00 H new ATOM 0 HB2 ARG A 28 0.987 0.628 9.279 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -0.474 1.130 8.452 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -0.840 2.217 10.425 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -1.557 0.679 10.865 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -0.036 0.381 12.498 1.00 0.00 H new ATOM 0 HD3 ARG A 28 1.280 0.517 11.349 1.00 0.00 H new ATOM 0 HE ARG A 28 1.681 2.679 12.088 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -1.594 1.702 12.994 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -1.886 3.157 13.952 1.00 0.00 H new ATOM 0 HH21 ARG A 28 1.294 4.542 13.321 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -0.258 4.757 14.136 1.00 0.00 H new ATOM 418 N ALA A 29 -0.340 -2.385 7.212 1.00 0.00 N ATOM 419 CA ALA A 29 -0.477 -2.805 5.822 1.00 0.00 C ATOM 420 C ALA A 29 0.501 -2.056 4.924 1.00 0.00 C ATOM 421 O ALA A 29 0.229 -1.831 3.744 1.00 0.00 O ATOM 422 CB ALA A 29 -1.906 -2.600 5.340 1.00 0.00 C ATOM 0 H ALA A 29 0.060 -3.095 7.825 1.00 0.00 H new ATOM 0 HA ALA A 29 -0.240 -3.868 5.767 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -1.989 -2.919 4.301 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -2.586 -3.189 5.956 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -2.168 -1.545 5.418 1.00 0.00 H new ATOM 428 N GLY A 30 1.642 -1.673 5.488 1.00 0.00 N ATOM 429 CA GLY A 30 2.644 -0.957 4.722 1.00 0.00 C ATOM 430 C GLY A 30 3.457 -1.878 3.834 1.00 0.00 C ATOM 431 O GLY A 30 3.950 -1.465 2.785 1.00 0.00 O ATOM 0 H GLY A 30 1.890 -1.846 6.462 1.00 0.00 H new ATOM 0 HA2 GLY A 30 2.156 -0.201 4.107 1.00 0.00 H new ATOM 0 HA3 GLY A 30 3.312 -0.431 5.404 1.00 0.00 H new ATOM 435 N ASP A 31 3.594 -3.131 4.256 1.00 0.00 N ATOM 436 CA ASP A 31 4.348 -4.118 3.493 1.00 0.00 C ATOM 437 C ASP A 31 3.563 -5.419 3.363 1.00 0.00 C ATOM 438 O ASP A 31 3.017 -5.927 4.342 1.00 0.00 O ATOM 439 CB ASP A 31 5.698 -4.388 4.162 1.00 0.00 C ATOM 440 CG ASP A 31 5.547 -4.911 5.577 1.00 0.00 C ATOM 441 OD1 ASP A 31 5.222 -4.106 6.476 1.00 0.00 O ATOM 442 OD2 ASP A 31 5.755 -6.125 5.787 1.00 0.00 O ATOM 0 H ASP A 31 3.192 -3.487 5.123 1.00 0.00 H new ATOM 0 HA ASP A 31 4.519 -3.716 2.494 1.00 0.00 H new ATOM 0 HB2 ASP A 31 6.257 -5.111 3.568 1.00 0.00 H new ATOM 0 HB3 ASP A 31 6.283 -3.468 4.178 1.00 0.00 H new ATOM 447 N MET A 32 3.506 -5.951 2.147 1.00 0.00 N ATOM 448 CA MET A 32 2.784 -7.191 1.887 1.00 0.00 C ATOM 449 C MET A 32 3.729 -8.391 1.913 1.00 0.00 C ATOM 450 O MET A 32 4.946 -8.237 1.805 1.00 0.00 O ATOM 451 CB MET A 32 2.070 -7.114 0.536 1.00 0.00 C ATOM 452 CG MET A 32 0.597 -6.761 0.646 1.00 0.00 C ATOM 453 SD MET A 32 0.003 -5.818 -0.772 1.00 0.00 S ATOM 454 CE MET A 32 -1.446 -5.031 -0.073 1.00 0.00 C ATOM 0 H MET A 32 3.951 -5.543 1.325 1.00 0.00 H new ATOM 0 HA MET A 32 2.043 -7.323 2.675 1.00 0.00 H new ATOM 0 HB2 MET A 32 2.568 -6.371 -0.087 1.00 0.00 H new ATOM 0 HB3 MET A 32 2.168 -8.073 0.027 1.00 0.00 H new ATOM 0 HG2 MET A 32 0.013 -7.677 0.739 1.00 0.00 H new ATOM 0 HG3 MET A 32 0.432 -6.184 1.556 1.00 0.00 H new ATOM 0 HE1 MET A 32 -1.925 -4.411 -0.831 1.00 0.00 H new ATOM 0 HE2 MET A 32 -2.146 -5.794 0.267 1.00 0.00 H new ATOM 0 HE3 MET A 32 -1.150 -4.408 0.771 1.00 0.00 H new ATOM 464 N ILE A 33 3.160 -9.585 2.054 1.00 0.00 N ATOM 465 CA ILE A 33 3.953 -10.809 2.091 1.00 0.00 C ATOM 466 C ILE A 33 3.077 -12.042 1.867 1.00 0.00 C ATOM 467 O ILE A 33 2.189 -12.333 2.665 1.00 0.00 O ATOM 468 CB ILE A 33 4.709 -10.946 3.433 1.00 0.00 C ATOM 469 CG1 ILE A 33 5.721 -12.099 3.368 1.00 0.00 C ATOM 470 CG2 ILE A 33 3.732 -11.138 4.586 1.00 0.00 C ATOM 471 CD1 ILE A 33 5.100 -13.480 3.440 1.00 0.00 C ATOM 0 H ILE A 33 2.154 -9.730 2.144 1.00 0.00 H new ATOM 0 HA ILE A 33 4.682 -10.744 1.283 1.00 0.00 H new ATOM 0 HB ILE A 33 5.261 -10.023 3.612 1.00 0.00 H new ATOM 0 HG12 ILE A 33 6.289 -12.017 2.441 1.00 0.00 H new ATOM 0 HG13 ILE A 33 6.431 -11.990 4.187 1.00 0.00 H new ATOM 0 HG21 ILE A 33 4.286 -11.232 5.520 1.00 0.00 H new ATOM 0 HG22 ILE A 33 3.065 -10.278 4.645 1.00 0.00 H new ATOM 0 HG23 ILE A 33 3.145 -12.041 4.419 1.00 0.00 H new ATOM 0 HD11 ILE A 33 5.885 -14.235 3.387 1.00 0.00 H new ATOM 0 HD12 ILE A 33 4.557 -13.586 4.379 1.00 0.00 H new ATOM 0 HD13 ILE A 33 4.412 -13.613 2.605 1.00 0.00 H new ATOM 483 N CYS A 34 3.334 -12.766 0.777 1.00 0.00 N ATOM 484 CA CYS A 34 2.563 -13.963 0.458 1.00 0.00 C ATOM 485 C CYS A 34 3.209 -15.199 1.083 1.00 0.00 C ATOM 486 O CYS A 34 4.316 -15.583 0.707 1.00 0.00 O ATOM 487 CB CYS A 34 2.459 -14.111 -1.063 1.00 0.00 C ATOM 488 SG CYS A 34 1.745 -15.670 -1.650 1.00 0.00 S ATOM 0 H CYS A 34 4.068 -12.544 0.104 1.00 0.00 H new ATOM 0 HA CYS A 34 1.560 -13.866 0.873 1.00 0.00 H new ATOM 0 HB2 CYS A 34 1.858 -13.288 -1.450 1.00 0.00 H new ATOM 0 HB3 CYS A 34 3.456 -14.005 -1.490 1.00 0.00 H new ATOM 493 N PRO A 35 2.531 -15.840 2.055 1.00 0.00 N ATOM 494 CA PRO A 35 3.059 -17.032 2.730 1.00 0.00 C ATOM 495 C PRO A 35 3.356 -18.168 1.759 1.00 0.00 C ATOM 496 O PRO A 35 4.121 -19.080 2.073 1.00 0.00 O ATOM 497 CB PRO A 35 1.942 -17.434 3.702 1.00 0.00 C ATOM 498 CG PRO A 35 0.722 -16.727 3.216 1.00 0.00 C ATOM 499 CD PRO A 35 1.207 -15.460 2.576 1.00 0.00 C ATOM 0 HA PRO A 35 4.009 -16.824 3.223 1.00 0.00 H new ATOM 0 HB2 PRO A 35 1.795 -18.514 3.707 1.00 0.00 H new ATOM 0 HB3 PRO A 35 2.185 -17.141 4.723 1.00 0.00 H new ATOM 0 HG2 PRO A 35 0.174 -17.341 2.501 1.00 0.00 H new ATOM 0 HG3 PRO A 35 0.041 -16.512 4.040 1.00 0.00 H new ATOM 0 HD2 PRO A 35 0.540 -15.128 1.780 1.00 0.00 H new ATOM 0 HD3 PRO A 35 1.275 -14.644 3.296 1.00 0.00 H new ATOM 507 N GLU A 36 2.750 -18.112 0.578 1.00 0.00 N ATOM 508 CA GLU A 36 2.957 -19.140 -0.431 1.00 0.00 C ATOM 509 C GLU A 36 4.352 -19.026 -1.045 1.00 0.00 C ATOM 510 O GLU A 36 5.255 -19.782 -0.684 1.00 0.00 O ATOM 511 CB GLU A 36 1.882 -19.044 -1.514 1.00 0.00 C ATOM 512 CG GLU A 36 1.128 -20.345 -1.741 1.00 0.00 C ATOM 513 CD GLU A 36 -0.038 -20.517 -0.788 1.00 0.00 C ATOM 514 OE1 GLU A 36 0.109 -20.161 0.400 1.00 0.00 O ATOM 515 OE2 GLU A 36 -1.098 -21.007 -1.230 1.00 0.00 O ATOM 0 H GLU A 36 2.113 -17.366 0.298 1.00 0.00 H new ATOM 0 HA GLU A 36 2.879 -20.115 0.050 1.00 0.00 H new ATOM 0 HB2 GLU A 36 1.171 -18.265 -1.240 1.00 0.00 H new ATOM 0 HB3 GLU A 36 2.348 -18.736 -2.450 1.00 0.00 H new ATOM 0 HG2 GLU A 36 0.761 -20.374 -2.767 1.00 0.00 H new ATOM 0 HG3 GLU A 36 1.815 -21.184 -1.624 1.00 0.00 H new ATOM 522 N CYS A 37 4.537 -18.076 -1.963 1.00 0.00 N ATOM 523 CA CYS A 37 5.841 -17.884 -2.594 1.00 0.00 C ATOM 524 C CYS A 37 6.818 -17.253 -1.611 1.00 0.00 C ATOM 525 O CYS A 37 8.027 -17.471 -1.694 1.00 0.00 O ATOM 526 CB CYS A 37 5.744 -17.010 -3.851 1.00 0.00 C ATOM 527 SG CYS A 37 4.792 -15.490 -3.654 1.00 0.00 S ATOM 0 H CYS A 37 3.810 -17.436 -2.282 1.00 0.00 H new ATOM 0 HA CYS A 37 6.203 -18.868 -2.892 1.00 0.00 H new ATOM 0 HB2 CYS A 37 6.752 -16.750 -4.173 1.00 0.00 H new ATOM 0 HB3 CYS A 37 5.297 -17.600 -4.651 1.00 0.00 H new ATOM 532 N GLY A 38 6.284 -16.467 -0.682 1.00 0.00 N ATOM 533 CA GLY A 38 7.121 -15.812 0.303 1.00 0.00 C ATOM 534 C GLY A 38 7.831 -14.601 -0.261 1.00 0.00 C ATOM 535 O GLY A 38 9.054 -14.492 -0.169 1.00 0.00 O ATOM 0 H GLY A 38 5.287 -16.273 -0.595 1.00 0.00 H new ATOM 0 HA2 GLY A 38 6.509 -15.509 1.153 1.00 0.00 H new ATOM 0 HA3 GLY A 38 7.859 -16.521 0.679 1.00 0.00 H new ATOM 539 N LEU A 39 7.066 -13.683 -0.846 1.00 0.00 N ATOM 540 CA LEU A 39 7.640 -12.473 -1.420 1.00 0.00 C ATOM 541 C LEU A 39 7.171 -11.246 -0.647 1.00 0.00 C ATOM 542 O LEU A 39 6.173 -11.302 0.069 1.00 0.00 O ATOM 543 CB LEU A 39 7.274 -12.357 -2.907 1.00 0.00 C ATOM 544 CG LEU A 39 6.002 -11.559 -3.221 1.00 0.00 C ATOM 545 CD1 LEU A 39 6.353 -10.231 -3.875 1.00 0.00 C ATOM 546 CD2 LEU A 39 5.070 -12.365 -4.115 1.00 0.00 C ATOM 0 H LEU A 39 6.052 -13.755 -0.934 1.00 0.00 H new ATOM 0 HA LEU A 39 8.726 -12.531 -1.342 1.00 0.00 H new ATOM 0 HB2 LEU A 39 8.109 -11.894 -3.432 1.00 0.00 H new ATOM 0 HB3 LEU A 39 7.159 -13.362 -3.313 1.00 0.00 H new ATOM 0 HG LEU A 39 5.485 -11.355 -2.283 1.00 0.00 H new ATOM 0 HD11 LEU A 39 5.438 -9.679 -4.091 1.00 0.00 H new ATOM 0 HD12 LEU A 39 6.979 -9.647 -3.200 1.00 0.00 H new ATOM 0 HD13 LEU A 39 6.894 -10.414 -4.804 1.00 0.00 H new ATOM 0 HD21 LEU A 39 4.174 -11.782 -4.326 1.00 0.00 H new ATOM 0 HD22 LEU A 39 5.578 -12.602 -5.050 1.00 0.00 H new ATOM 0 HD23 LEU A 39 4.790 -13.289 -3.610 1.00 0.00 H new ATOM 558 N VAL A 40 7.898 -10.146 -0.791 1.00 0.00 N ATOM 559 CA VAL A 40 7.557 -8.912 -0.098 1.00 0.00 C ATOM 560 C VAL A 40 7.211 -7.795 -1.080 1.00 0.00 C ATOM 561 O VAL A 40 8.039 -7.393 -1.896 1.00 0.00 O ATOM 562 CB VAL A 40 8.713 -8.453 0.810 1.00 0.00 C ATOM 563 CG1 VAL A 40 9.917 -8.023 -0.017 1.00 0.00 C ATOM 564 CG2 VAL A 40 8.258 -7.331 1.731 1.00 0.00 C ATOM 0 H VAL A 40 8.727 -10.084 -1.381 1.00 0.00 H new ATOM 0 HA VAL A 40 6.680 -9.122 0.514 1.00 0.00 H new ATOM 0 HB VAL A 40 9.016 -9.298 1.428 1.00 0.00 H new ATOM 0 HG11 VAL A 40 10.720 -7.703 0.648 1.00 0.00 H new ATOM 0 HG12 VAL A 40 10.260 -8.861 -0.623 1.00 0.00 H new ATOM 0 HG13 VAL A 40 9.634 -7.196 -0.668 1.00 0.00 H new ATOM 0 HG21 VAL A 40 9.089 -7.021 2.364 1.00 0.00 H new ATOM 0 HG22 VAL A 40 7.921 -6.484 1.134 1.00 0.00 H new ATOM 0 HG23 VAL A 40 7.437 -7.683 2.356 1.00 0.00 H new ATOM 574 N VAL A 41 5.983 -7.296 -0.987 1.00 0.00 N ATOM 575 CA VAL A 41 5.528 -6.221 -1.859 1.00 0.00 C ATOM 576 C VAL A 41 5.227 -4.960 -1.057 1.00 0.00 C ATOM 577 O VAL A 41 4.072 -4.672 -0.744 1.00 0.00 O ATOM 578 CB VAL A 41 4.269 -6.630 -2.648 1.00 0.00 C ATOM 579 CG1 VAL A 41 3.892 -5.551 -3.653 1.00 0.00 C ATOM 580 CG2 VAL A 41 4.484 -7.963 -3.344 1.00 0.00 C ATOM 0 H VAL A 41 5.286 -7.619 -0.316 1.00 0.00 H new ATOM 0 HA VAL A 41 6.335 -6.019 -2.563 1.00 0.00 H new ATOM 0 HB VAL A 41 3.444 -6.742 -1.944 1.00 0.00 H new ATOM 0 HG11 VAL A 41 3.001 -5.859 -4.200 1.00 0.00 H new ATOM 0 HG12 VAL A 41 3.691 -4.618 -3.127 1.00 0.00 H new ATOM 0 HG13 VAL A 41 4.714 -5.403 -4.353 1.00 0.00 H new ATOM 0 HG21 VAL A 41 3.584 -8.235 -3.896 1.00 0.00 H new ATOM 0 HG22 VAL A 41 5.323 -7.881 -4.035 1.00 0.00 H new ATOM 0 HG23 VAL A 41 4.700 -8.731 -2.601 1.00 0.00 H new ATOM 590 N GLY A 42 6.275 -4.212 -0.725 1.00 0.00 N ATOM 591 CA GLY A 42 6.103 -2.991 0.041 1.00 0.00 C ATOM 592 C GLY A 42 5.102 -2.043 -0.591 1.00 0.00 C ATOM 593 O GLY A 42 4.023 -1.815 -0.043 1.00 0.00 O ATOM 0 H GLY A 42 7.240 -4.430 -0.973 1.00 0.00 H new ATOM 0 HA2 GLY A 42 5.774 -3.242 1.049 1.00 0.00 H new ATOM 0 HA3 GLY A 42 7.065 -2.487 0.136 1.00 0.00 H new ATOM 597 N ASP A 43 5.459 -1.493 -1.746 1.00 0.00 N ATOM 598 CA ASP A 43 4.585 -0.567 -2.454 1.00 0.00 C ATOM 599 C ASP A 43 5.215 -0.125 -3.772 1.00 0.00 C ATOM 600 O ASP A 43 6.423 -0.258 -3.967 1.00 0.00 O ATOM 601 CB ASP A 43 4.286 0.654 -1.583 1.00 0.00 C ATOM 602 CG ASP A 43 2.920 1.248 -1.869 1.00 0.00 C ATOM 603 OD1 ASP A 43 1.912 0.540 -1.668 1.00 0.00 O ATOM 604 OD2 ASP A 43 2.861 2.421 -2.294 1.00 0.00 O ATOM 0 H ASP A 43 6.348 -1.673 -2.212 1.00 0.00 H new ATOM 0 HA ASP A 43 3.651 -1.084 -2.673 1.00 0.00 H new ATOM 0 HB2 ASP A 43 4.343 0.370 -0.532 1.00 0.00 H new ATOM 0 HB3 ASP A 43 5.051 1.412 -1.750 1.00 0.00 H new ATOM 609 N ARG A 44 4.389 0.400 -4.671 1.00 0.00 N ATOM 610 CA ARG A 44 4.868 0.861 -5.969 1.00 0.00 C ATOM 611 C ARG A 44 4.424 2.297 -6.233 1.00 0.00 C ATOM 612 O ARG A 44 3.299 2.540 -6.667 1.00 0.00 O ATOM 613 CB ARG A 44 4.355 -0.056 -7.081 1.00 0.00 C ATOM 614 CG ARG A 44 4.640 -1.529 -6.837 1.00 0.00 C ATOM 615 CD ARG A 44 6.132 -1.818 -6.835 1.00 0.00 C ATOM 616 NE ARG A 44 6.644 -2.076 -8.180 1.00 0.00 N ATOM 617 CZ ARG A 44 7.096 -1.129 -9.000 1.00 0.00 C ATOM 618 NH1 ARG A 44 7.103 0.144 -8.623 1.00 0.00 N ATOM 619 NH2 ARG A 44 7.546 -1.456 -10.205 1.00 0.00 N ATOM 0 H ARG A 44 3.386 0.517 -4.525 1.00 0.00 H new ATOM 0 HA ARG A 44 5.958 0.832 -5.958 1.00 0.00 H new ATOM 0 HB2 ARG A 44 3.279 0.084 -7.188 1.00 0.00 H new ATOM 0 HB3 ARG A 44 4.811 0.242 -8.025 1.00 0.00 H new ATOM 0 HG2 ARG A 44 4.209 -1.830 -5.882 1.00 0.00 H new ATOM 0 HG3 ARG A 44 4.154 -2.127 -7.608 1.00 0.00 H new ATOM 0 HD2 ARG A 44 6.664 -0.971 -6.401 1.00 0.00 H new ATOM 0 HD3 ARG A 44 6.333 -2.680 -6.199 1.00 0.00 H new ATOM 0 HE ARG A 44 6.656 -3.041 -8.511 1.00 0.00 H new ATOM 0 HH11 ARG A 44 6.760 0.404 -7.698 1.00 0.00 H new ATOM 0 HH12 ARG A 44 7.451 0.862 -9.258 1.00 0.00 H new ATOM 0 HH21 ARG A 44 7.545 -2.432 -10.502 1.00 0.00 H new ATOM 0 HH22 ARG A 44 7.892 -0.732 -10.834 1.00 0.00 H new ATOM 633 N VAL A 45 5.319 3.245 -5.968 1.00 0.00 N ATOM 634 CA VAL A 45 5.025 4.654 -6.175 1.00 0.00 C ATOM 635 C VAL A 45 5.577 5.141 -7.511 1.00 0.00 C ATOM 636 O VAL A 45 5.979 6.296 -7.645 1.00 0.00 O ATOM 637 CB VAL A 45 5.609 5.522 -5.045 1.00 0.00 C ATOM 638 CG1 VAL A 45 4.677 5.535 -3.843 1.00 0.00 C ATOM 639 CG2 VAL A 45 6.997 5.040 -4.648 1.00 0.00 C ATOM 0 H VAL A 45 6.255 3.059 -5.609 1.00 0.00 H new ATOM 0 HA VAL A 45 3.940 4.753 -6.175 1.00 0.00 H new ATOM 0 HB VAL A 45 5.703 6.542 -5.416 1.00 0.00 H new ATOM 0 HG11 VAL A 45 5.107 6.154 -3.056 1.00 0.00 H new ATOM 0 HG12 VAL A 45 3.710 5.943 -4.137 1.00 0.00 H new ATOM 0 HG13 VAL A 45 4.545 4.518 -3.474 1.00 0.00 H new ATOM 0 HG21 VAL A 45 7.386 5.670 -3.848 1.00 0.00 H new ATOM 0 HG22 VAL A 45 6.938 4.008 -4.301 1.00 0.00 H new ATOM 0 HG23 VAL A 45 7.662 5.096 -5.510 1.00 0.00 H new ATOM 649 N ILE A 46 5.595 4.250 -8.498 1.00 0.00 N ATOM 650 CA ILE A 46 6.098 4.588 -9.823 1.00 0.00 C ATOM 651 C ILE A 46 5.136 5.524 -10.553 1.00 0.00 C ATOM 652 O ILE A 46 4.481 5.131 -11.517 1.00 0.00 O ATOM 653 CB ILE A 46 6.329 3.321 -10.674 1.00 0.00 C ATOM 654 CG1 ILE A 46 6.930 3.687 -12.034 1.00 0.00 C ATOM 655 CG2 ILE A 46 5.025 2.555 -10.851 1.00 0.00 C ATOM 656 CD1 ILE A 46 8.403 3.361 -12.150 1.00 0.00 C ATOM 0 H ILE A 46 5.267 3.289 -8.404 1.00 0.00 H new ATOM 0 HA ILE A 46 7.052 5.097 -9.685 1.00 0.00 H new ATOM 0 HB ILE A 46 7.037 2.678 -10.151 1.00 0.00 H new ATOM 0 HG12 ILE A 46 6.386 3.158 -12.817 1.00 0.00 H new ATOM 0 HG13 ILE A 46 6.787 4.753 -12.211 1.00 0.00 H new ATOM 0 HG21 ILE A 46 5.205 1.665 -11.453 1.00 0.00 H new ATOM 0 HG22 ILE A 46 4.640 2.261 -9.874 1.00 0.00 H new ATOM 0 HG23 ILE A 46 4.295 3.190 -11.352 1.00 0.00 H new ATOM 0 HD11 ILE A 46 8.762 3.647 -13.139 1.00 0.00 H new ATOM 0 HD12 ILE A 46 8.958 3.910 -11.390 1.00 0.00 H new ATOM 0 HD13 ILE A 46 8.551 2.291 -12.005 1.00 0.00 H new ATOM 668 N ASP A 47 5.059 6.765 -10.084 1.00 0.00 N ATOM 669 CA ASP A 47 4.180 7.757 -10.691 1.00 0.00 C ATOM 670 C ASP A 47 4.806 8.340 -11.955 1.00 0.00 C ATOM 671 O ASP A 47 5.061 9.541 -12.039 1.00 0.00 O ATOM 672 CB ASP A 47 3.873 8.876 -9.693 1.00 0.00 C ATOM 673 CG ASP A 47 2.459 9.403 -9.831 1.00 0.00 C ATOM 674 OD1 ASP A 47 2.225 10.252 -10.718 1.00 0.00 O ATOM 675 OD2 ASP A 47 1.584 8.968 -9.053 1.00 0.00 O ATOM 0 H ASP A 47 5.594 7.107 -9.286 1.00 0.00 H new ATOM 0 HA ASP A 47 3.249 7.261 -10.966 1.00 0.00 H new ATOM 0 HB2 ASP A 47 4.022 8.505 -8.679 1.00 0.00 H new ATOM 0 HB3 ASP A 47 4.578 9.694 -9.840 1.00 0.00 H new ATOM 680 N VAL A 48 5.051 7.479 -12.938 1.00 0.00 N ATOM 681 CA VAL A 48 5.647 7.908 -14.198 1.00 0.00 C ATOM 682 C VAL A 48 5.025 7.169 -15.378 1.00 0.00 C ATOM 683 O VAL A 48 5.499 6.106 -15.779 1.00 0.00 O ATOM 684 CB VAL A 48 7.169 7.676 -14.209 1.00 0.00 C ATOM 685 CG1 VAL A 48 7.797 8.307 -15.442 1.00 0.00 C ATOM 686 CG2 VAL A 48 7.801 8.226 -12.938 1.00 0.00 C ATOM 0 H VAL A 48 4.846 6.481 -12.886 1.00 0.00 H new ATOM 0 HA VAL A 48 5.449 8.976 -14.293 1.00 0.00 H new ATOM 0 HB VAL A 48 7.355 6.603 -14.245 1.00 0.00 H new ATOM 0 HG11 VAL A 48 8.873 8.133 -15.432 1.00 0.00 H new ATOM 0 HG12 VAL A 48 7.365 7.862 -16.338 1.00 0.00 H new ATOM 0 HG13 VAL A 48 7.603 9.380 -15.440 1.00 0.00 H new ATOM 0 HG21 VAL A 48 8.877 8.053 -12.963 1.00 0.00 H new ATOM 0 HG22 VAL A 48 7.607 9.296 -12.869 1.00 0.00 H new ATOM 0 HG23 VAL A 48 7.373 7.723 -12.071 1.00 0.00 H new ATOM 696 N GLY A 49 3.958 7.740 -15.931 1.00 0.00 N ATOM 697 CA GLY A 49 3.289 7.121 -17.060 1.00 0.00 C ATOM 698 C GLY A 49 2.043 6.361 -16.650 1.00 0.00 C ATOM 699 O GLY A 49 1.651 6.382 -15.484 1.00 0.00 O ATOM 0 H GLY A 49 3.546 8.619 -15.617 1.00 0.00 H new ATOM 0 HA2 GLY A 49 3.020 7.889 -17.785 1.00 0.00 H new ATOM 0 HA3 GLY A 49 3.979 6.440 -17.558 1.00 0.00 H new ATOM 703 N SER A 50 1.420 5.687 -17.613 1.00 0.00 N ATOM 704 CA SER A 50 0.211 4.916 -17.345 1.00 0.00 C ATOM 705 C SER A 50 -0.904 5.818 -16.824 1.00 0.00 C ATOM 706 O SER A 50 -1.054 5.999 -15.616 1.00 0.00 O ATOM 707 CB SER A 50 0.502 3.807 -16.332 1.00 0.00 C ATOM 708 OG SER A 50 0.837 2.595 -16.986 1.00 0.00 O ATOM 0 H SER A 50 1.732 5.659 -18.584 1.00 0.00 H new ATOM 0 HA SER A 50 -0.118 4.465 -18.281 1.00 0.00 H new ATOM 0 HB2 SER A 50 1.321 4.111 -15.680 1.00 0.00 H new ATOM 0 HB3 SER A 50 -0.370 3.652 -15.697 1.00 0.00 H new ATOM 0 HG SER A 50 1.020 1.902 -16.317 1.00 0.00 H new ATOM 714 N GLU A 51 -1.682 6.379 -17.742 1.00 0.00 N ATOM 715 CA GLU A 51 -2.784 7.261 -17.374 1.00 0.00 C ATOM 716 C GLU A 51 -3.850 7.284 -18.466 1.00 0.00 C ATOM 717 O GLU A 51 -3.771 8.070 -19.410 1.00 0.00 O ATOM 718 CB GLU A 51 -2.265 8.679 -17.119 1.00 0.00 C ATOM 719 CG GLU A 51 -2.176 9.037 -15.645 1.00 0.00 C ATOM 720 CD GLU A 51 -1.331 10.270 -15.394 1.00 0.00 C ATOM 721 OE1 GLU A 51 -1.890 11.388 -15.417 1.00 0.00 O ATOM 722 OE2 GLU A 51 -0.110 10.120 -15.175 1.00 0.00 O ATOM 0 H GLU A 51 -1.571 6.239 -18.746 1.00 0.00 H new ATOM 0 HA GLU A 51 -3.236 6.877 -16.459 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -1.278 8.782 -17.570 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -2.920 9.392 -17.619 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -3.180 9.203 -15.254 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -1.756 8.195 -15.095 1.00 0.00 H new ATOM 729 N TRP A 52 -4.848 6.416 -18.329 1.00 0.00 N ATOM 730 CA TRP A 52 -5.931 6.337 -19.302 1.00 0.00 C ATOM 731 C TRP A 52 -7.283 6.547 -18.629 1.00 0.00 C ATOM 732 O TRP A 52 -7.432 6.318 -17.428 1.00 0.00 O ATOM 733 CB TRP A 52 -5.907 4.983 -20.013 1.00 0.00 C ATOM 734 CG TRP A 52 -6.457 5.033 -21.405 1.00 0.00 C ATOM 735 CD1 TRP A 52 -5.818 5.491 -22.522 1.00 0.00 C ATOM 736 CD2 TRP A 52 -7.758 4.610 -21.830 1.00 0.00 C ATOM 737 NE1 TRP A 52 -6.643 5.379 -23.615 1.00 0.00 N ATOM 738 CE2 TRP A 52 -7.838 4.842 -23.217 1.00 0.00 C ATOM 739 CE3 TRP A 52 -8.861 4.059 -21.174 1.00 0.00 C ATOM 740 CZ2 TRP A 52 -8.980 4.541 -23.957 1.00 0.00 C ATOM 741 CZ3 TRP A 52 -9.994 3.760 -21.910 1.00 0.00 C ATOM 742 CH2 TRP A 52 -10.044 4.001 -23.289 1.00 0.00 C ATOM 0 H TRP A 52 -4.929 5.758 -17.554 1.00 0.00 H new ATOM 0 HA TRP A 52 -5.785 7.128 -20.037 1.00 0.00 H new ATOM 0 HB2 TRP A 52 -4.881 4.618 -20.049 1.00 0.00 H new ATOM 0 HB3 TRP A 52 -6.481 4.264 -19.429 1.00 0.00 H new ATOM 0 HD1 TRP A 52 -4.812 5.883 -22.543 1.00 0.00 H new ATOM 0 HE1 TRP A 52 -6.404 5.652 -24.568 1.00 0.00 H new ATOM 0 HE3 TRP A 52 -8.830 3.870 -20.111 1.00 0.00 H new ATOM 0 HZ2 TRP A 52 -9.023 4.728 -25.020 1.00 0.00 H new ATOM 0 HZ3 TRP A 52 -10.853 3.334 -21.413 1.00 0.00 H new ATOM 0 HH2 TRP A 52 -10.942 3.755 -23.836 1.00 0.00 H new ATOM 753 N ARG A 53 -8.266 6.984 -19.409 1.00 0.00 N ATOM 754 CA ARG A 53 -9.607 7.226 -18.888 1.00 0.00 C ATOM 755 C ARG A 53 -9.584 8.296 -17.802 1.00 0.00 C ATOM 756 O ARG A 53 -9.448 7.989 -16.617 1.00 0.00 O ATOM 757 CB ARG A 53 -10.200 5.931 -18.331 1.00 0.00 C ATOM 758 CG ARG A 53 -11.717 5.955 -18.219 1.00 0.00 C ATOM 759 CD ARG A 53 -12.306 4.558 -18.325 1.00 0.00 C ATOM 760 NE ARG A 53 -12.597 3.985 -17.014 1.00 0.00 N ATOM 761 CZ ARG A 53 -13.673 4.292 -16.293 1.00 0.00 C ATOM 762 NH1 ARG A 53 -14.562 5.164 -16.753 1.00 0.00 N ATOM 763 NH2 ARG A 53 -13.862 3.725 -15.110 1.00 0.00 N ATOM 0 H ARG A 53 -8.159 7.178 -20.405 1.00 0.00 H new ATOM 0 HA ARG A 53 -10.231 7.581 -19.709 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -9.904 5.101 -18.972 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -9.774 5.740 -17.346 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -12.005 6.401 -17.267 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -12.131 6.586 -19.005 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -13.221 4.595 -18.916 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -11.609 3.910 -18.857 1.00 0.00 H new ATOM 0 HE ARG A 53 -11.937 3.310 -16.628 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -14.422 5.603 -17.663 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -15.385 5.395 -16.196 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -13.183 3.053 -14.752 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -14.687 3.960 -14.558 1.00 0.00 H new ATOM 777 N THR A 54 -9.719 9.553 -18.212 1.00 0.00 N ATOM 778 CA THR A 54 -9.716 10.668 -17.274 1.00 0.00 C ATOM 779 C THR A 54 -11.132 10.992 -16.809 1.00 0.00 C ATOM 780 O THR A 54 -11.523 10.649 -15.693 1.00 0.00 O ATOM 781 CB THR A 54 -9.073 11.901 -17.916 1.00 0.00 C ATOM 782 OG1 THR A 54 -7.730 11.634 -18.277 1.00 0.00 O ATOM 783 CG2 THR A 54 -9.072 13.118 -17.015 1.00 0.00 C ATOM 0 H THR A 54 -9.832 9.824 -19.189 1.00 0.00 H new ATOM 0 HA THR A 54 -9.129 10.378 -16.403 1.00 0.00 H new ATOM 0 HB THR A 54 -9.684 12.120 -18.792 1.00 0.00 H new ATOM 0 HG1 THR A 54 -7.337 12.432 -18.687 1.00 0.00 H new ATOM 0 HG21 THR A 54 -8.602 13.954 -17.533 1.00 0.00 H new ATOM 0 HG22 THR A 54 -10.098 13.381 -16.758 1.00 0.00 H new ATOM 0 HG23 THR A 54 -8.515 12.896 -16.104 1.00 0.00 H new ATOM 791 N PHE A 55 -11.893 11.651 -17.674 1.00 0.00 N ATOM 792 CA PHE A 55 -13.269 12.024 -17.360 1.00 0.00 C ATOM 793 C PHE A 55 -13.314 13.039 -16.221 1.00 0.00 C ATOM 794 O PHE A 55 -13.556 14.225 -16.444 1.00 0.00 O ATOM 795 CB PHE A 55 -14.088 10.783 -16.992 1.00 0.00 C ATOM 796 CG PHE A 55 -15.315 10.602 -17.840 1.00 0.00 C ATOM 797 CD1 PHE A 55 -16.502 11.235 -17.507 1.00 0.00 C ATOM 798 CD2 PHE A 55 -15.281 9.799 -18.969 1.00 0.00 C ATOM 799 CE1 PHE A 55 -17.632 11.071 -18.285 1.00 0.00 C ATOM 800 CE2 PHE A 55 -16.409 9.631 -19.750 1.00 0.00 C ATOM 801 CZ PHE A 55 -17.586 10.268 -19.408 1.00 0.00 C ATOM 0 H PHE A 55 -11.581 11.939 -18.601 1.00 0.00 H new ATOM 0 HA PHE A 55 -13.704 12.485 -18.247 1.00 0.00 H new ATOM 0 HB2 PHE A 55 -13.457 9.899 -17.087 1.00 0.00 H new ATOM 0 HB3 PHE A 55 -14.386 10.851 -15.946 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -16.544 11.863 -16.630 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -14.363 9.299 -19.242 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -18.551 11.570 -18.015 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -16.370 9.002 -20.627 1.00 0.00 H new ATOM 0 HZ PHE A 55 -18.468 10.139 -20.017 1.00 0.00 H new ATOM 811 N SER A 56 -13.084 12.564 -15.001 1.00 0.00 N ATOM 812 CA SER A 56 -13.098 13.429 -13.826 1.00 0.00 C ATOM 813 C SER A 56 -12.111 14.583 -13.984 1.00 0.00 C ATOM 814 O SER A 56 -11.297 14.594 -14.905 1.00 0.00 O ATOM 815 CB SER A 56 -12.763 12.624 -12.569 1.00 0.00 C ATOM 816 OG SER A 56 -13.869 11.843 -12.153 1.00 0.00 O ATOM 0 H SER A 56 -12.885 11.584 -14.800 1.00 0.00 H new ATOM 0 HA SER A 56 -14.101 13.845 -13.726 1.00 0.00 H new ATOM 0 HB2 SER A 56 -11.909 11.975 -12.766 1.00 0.00 H new ATOM 0 HB3 SER A 56 -12.470 13.302 -11.767 1.00 0.00 H new ATOM 0 HG SER A 56 -13.628 11.337 -11.349 1.00 0.00 H new ATOM 822 N ASN A 57 -12.192 15.551 -13.076 1.00 0.00 N ATOM 823 CA ASN A 57 -11.307 16.710 -13.113 1.00 0.00 C ATOM 824 C ASN A 57 -11.526 17.522 -14.385 1.00 0.00 C ATOM 825 O ASN A 57 -11.380 17.008 -15.495 1.00 0.00 O ATOM 826 CB ASN A 57 -9.846 16.267 -13.021 1.00 0.00 C ATOM 827 CG ASN A 57 -8.951 17.341 -12.432 1.00 0.00 C ATOM 828 OD1 ASN A 57 -8.525 17.249 -11.282 1.00 0.00 O ATOM 829 ND2 ASN A 57 -8.663 18.369 -13.222 1.00 0.00 N ATOM 0 H ASN A 57 -12.861 15.556 -12.306 1.00 0.00 H new ATOM 0 HA ASN A 57 -11.542 17.341 -12.256 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -9.780 15.367 -12.409 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -9.486 16.003 -14.015 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -8.067 19.123 -12.881 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -9.038 18.405 -14.170 1.00 0.00 H new ATOM 836 N ASP A 58 -11.876 18.793 -14.217 1.00 0.00 N ATOM 837 CA ASP A 58 -12.115 19.678 -15.352 1.00 0.00 C ATOM 838 C ASP A 58 -13.270 19.166 -16.206 1.00 0.00 C ATOM 839 O ASP A 58 -13.568 17.972 -16.213 1.00 0.00 O ATOM 840 CB ASP A 58 -10.850 19.803 -16.203 1.00 0.00 C ATOM 841 CG ASP A 58 -9.977 20.967 -15.774 1.00 0.00 C ATOM 842 OD1 ASP A 58 -9.483 20.946 -14.627 1.00 0.00 O ATOM 843 OD2 ASP A 58 -9.788 21.897 -16.585 1.00 0.00 O ATOM 0 H ASP A 58 -12.001 19.234 -13.306 1.00 0.00 H new ATOM 0 HA ASP A 58 -12.382 20.662 -14.965 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -10.277 18.878 -16.135 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -11.130 19.929 -17.249 1.00 0.00 H new ATOM 848 N LYS A 59 -13.915 20.078 -16.926 1.00 0.00 N ATOM 849 CA LYS A 59 -15.037 19.719 -17.785 1.00 0.00 C ATOM 850 C LYS A 59 -14.957 20.452 -19.120 1.00 0.00 C ATOM 851 O LYS A 59 -15.977 20.716 -19.756 1.00 0.00 O ATOM 852 CB LYS A 59 -16.362 20.041 -17.091 1.00 0.00 C ATOM 853 CG LYS A 59 -17.536 19.230 -17.614 1.00 0.00 C ATOM 854 CD LYS A 59 -18.765 19.398 -16.735 1.00 0.00 C ATOM 855 CE LYS A 59 -19.847 18.391 -17.092 1.00 0.00 C ATOM 856 NZ LYS A 59 -19.512 17.022 -16.608 1.00 0.00 N ATOM 857 OXT LYS A 59 -13.681 20.838 -19.638 1.00 0.00 O ATOM 0 H LYS A 59 -13.680 21.071 -16.932 1.00 0.00 H new ATOM 0 HA LYS A 59 -14.987 18.647 -17.976 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -16.255 19.861 -16.021 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -16.580 21.102 -17.216 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -17.770 19.542 -18.632 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -17.261 18.176 -17.659 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -18.485 19.277 -15.689 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -19.157 20.409 -16.845 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -20.795 18.708 -16.658 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -19.982 18.371 -18.173 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -20.340 16.403 -16.718 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -18.719 16.642 -17.163 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -19.243 17.065 -15.604 1.00 0.00 H new TER 871 LYS A 59 HETATM 872 ZN ZN A 60 2.544 -15.971 -3.782 1.00 0.00 ZN