USER MOD reduce.3.24.130724 H: found=0, std=0, add=278, rem=0, adj=6 USER MOD reduce.3.24.130724 removed 278 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 Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -169:sc= -0.0183 (180deg=-0.207) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 MET CE :methyl 155:sc= -0.292 (180deg=-1.26!) USER MOD Single : A 6 SER OG : rot -45:sc= 0.0165 USER MOD Single : A 20 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 33 LYS NZ :NH3+ 162:sc= -0.019 (180deg=-0.178) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -16.253 19.443 -1.052 1.00 0.00 N ATOM 2 CA MET A 1 -15.091 19.523 -0.128 1.00 0.00 C ATOM 3 C MET A 1 -14.074 18.425 -0.426 1.00 0.00 C ATOM 4 O MET A 1 -12.870 18.620 -0.261 1.00 0.00 O ATOM 5 CB MET A 1 -15.601 19.395 1.308 1.00 0.00 C ATOM 6 CG MET A 1 -14.665 20.000 2.342 1.00 0.00 C ATOM 7 SD MET A 1 -15.548 20.798 3.696 1.00 0.00 S ATOM 8 CE MET A 1 -15.173 22.520 3.377 1.00 0.00 C ATOM 0 H1 MET A 1 -16.833 20.301 -0.955 1.00 0.00 H new ATOM 0 H2 MET A 1 -15.913 19.364 -2.032 1.00 0.00 H new ATOM 0 H3 MET A 1 -16.827 18.608 -0.817 1.00 0.00 H new ATOM 0 HA MET A 1 -14.589 20.481 -0.265 1.00 0.00 H new ATOM 0 HB2 MET A 1 -16.574 19.880 1.384 1.00 0.00 H new ATOM 0 HB3 MET A 1 -15.751 18.340 1.539 1.00 0.00 H new ATOM 0 HG2 MET A 1 -14.021 19.218 2.744 1.00 0.00 H new ATOM 0 HG3 MET A 1 -14.016 20.729 1.857 1.00 0.00 H new ATOM 0 HE1 MET A 1 -15.651 23.143 4.133 1.00 0.00 H new ATOM 0 HE2 MET A 1 -14.094 22.670 3.412 1.00 0.00 H new ATOM 0 HE3 MET A 1 -15.546 22.797 2.391 1.00 0.00 H new ATOM 20 N LYS A 2 -14.567 17.272 -0.866 1.00 0.00 N ATOM 21 CA LYS A 2 -13.700 16.142 -1.188 1.00 0.00 C ATOM 22 C LYS A 2 -13.688 15.853 -2.676 1.00 0.00 C ATOM 23 O LYS A 2 -13.243 14.784 -3.089 1.00 0.00 O ATOM 24 CB LYS A 2 -14.138 14.884 -0.450 1.00 0.00 C ATOM 25 CG LYS A 2 -15.649 14.702 -0.394 1.00 0.00 C ATOM 26 CD LYS A 2 -16.241 14.448 -1.771 1.00 0.00 C ATOM 27 CE LYS A 2 -15.611 13.236 -2.435 1.00 0.00 C ATOM 28 NZ LYS A 2 -16.041 13.092 -3.854 1.00 0.00 N ATOM 0 H LYS A 2 -15.561 17.095 -1.008 1.00 0.00 H new ATOM 0 HA LYS A 2 -12.696 16.421 -0.870 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -13.694 14.015 -0.936 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -13.747 14.915 0.567 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -15.890 13.867 0.264 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -16.106 15.592 0.039 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -17.317 14.297 -1.683 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -16.092 15.326 -2.399 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -14.525 13.322 -2.392 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -15.882 12.337 -1.881 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -15.589 12.253 -4.270 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -17.075 12.984 -3.894 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -15.760 13.938 -4.389 1.00 0.00 H new ATOM 42 N ASP A 3 -14.184 16.796 -3.476 1.00 0.00 N ATOM 43 CA ASP A 3 -14.235 16.626 -4.926 1.00 0.00 C ATOM 44 C ASP A 3 -13.188 15.620 -5.388 1.00 0.00 C ATOM 45 O ASP A 3 -13.492 14.676 -6.118 1.00 0.00 O ATOM 46 CB ASP A 3 -14.019 17.968 -5.628 1.00 0.00 C ATOM 47 CG ASP A 3 -14.184 17.867 -7.132 1.00 0.00 C ATOM 48 OD1 ASP A 3 -13.545 16.983 -7.742 1.00 0.00 O ATOM 49 OD2 ASP A 3 -14.951 18.672 -7.701 1.00 0.00 O ATOM 0 H ASP A 3 -14.556 17.686 -3.144 1.00 0.00 H new ATOM 0 HA ASP A 3 -15.222 16.245 -5.189 1.00 0.00 H new ATOM 0 HB2 ASP A 3 -14.727 18.698 -5.236 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -13.020 18.338 -5.399 1.00 0.00 H new ATOM 54 N LEU A 4 -11.955 15.819 -4.934 1.00 0.00 N ATOM 55 CA LEU A 4 -10.864 14.918 -5.276 1.00 0.00 C ATOM 56 C LEU A 4 -10.281 14.231 -4.041 1.00 0.00 C ATOM 57 O LEU A 4 -9.566 13.237 -4.161 1.00 0.00 O ATOM 58 CB LEU A 4 -9.764 15.666 -6.032 1.00 0.00 C ATOM 59 CG LEU A 4 -9.988 15.794 -7.540 1.00 0.00 C ATOM 60 CD1 LEU A 4 -10.798 17.042 -7.854 1.00 0.00 C ATOM 61 CD2 LEU A 4 -8.657 15.821 -8.275 1.00 0.00 C ATOM 0 H LEU A 4 -11.688 16.596 -4.329 1.00 0.00 H new ATOM 0 HA LEU A 4 -11.277 14.143 -5.922 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -9.668 16.666 -5.608 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -8.816 15.155 -5.863 1.00 0.00 H new ATOM 0 HG LEU A 4 -10.551 14.925 -7.881 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -10.948 17.117 -8.931 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -11.766 16.982 -7.356 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -10.262 17.922 -7.500 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -8.835 15.912 -9.347 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -8.069 16.672 -7.931 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -8.112 14.898 -8.075 1.00 0.00 H new ATOM 73 N MET A 5 -10.579 14.760 -2.857 1.00 0.00 N ATOM 74 CA MET A 5 -10.066 14.181 -1.619 1.00 0.00 C ATOM 75 C MET A 5 -10.466 12.715 -1.493 1.00 0.00 C ATOM 76 O MET A 5 -9.648 11.868 -1.134 1.00 0.00 O ATOM 77 CB MET A 5 -10.571 14.967 -0.409 1.00 0.00 C ATOM 78 CG MET A 5 -10.246 16.451 -0.468 1.00 0.00 C ATOM 79 SD MET A 5 -10.624 17.307 1.073 1.00 0.00 S ATOM 80 CE MET A 5 -9.616 16.383 2.230 1.00 0.00 C ATOM 0 H MET A 5 -11.169 15.582 -2.729 1.00 0.00 H new ATOM 0 HA MET A 5 -8.978 14.239 -1.649 1.00 0.00 H new ATOM 0 HB2 MET A 5 -11.651 14.843 -0.331 1.00 0.00 H new ATOM 0 HB3 MET A 5 -10.135 14.544 0.496 1.00 0.00 H new ATOM 0 HG2 MET A 5 -9.189 16.578 -0.700 1.00 0.00 H new ATOM 0 HG3 MET A 5 -10.808 16.910 -1.281 1.00 0.00 H new ATOM 0 HE1 MET A 5 -9.380 17.011 3.089 1.00 0.00 H new ATOM 0 HE2 MET A 5 -10.162 15.500 2.564 1.00 0.00 H new ATOM 0 HE3 MET A 5 -8.692 16.075 1.742 1.00 0.00 H new ATOM 90 N SER A 6 -11.724 12.419 -1.797 1.00 0.00 N ATOM 91 CA SER A 6 -12.222 11.051 -1.724 1.00 0.00 C ATOM 92 C SER A 6 -11.778 10.241 -2.941 1.00 0.00 C ATOM 93 O SER A 6 -12.047 9.043 -3.030 1.00 0.00 O ATOM 94 CB SER A 6 -13.748 11.046 -1.623 1.00 0.00 C ATOM 95 OG SER A 6 -14.217 9.841 -1.042 1.00 0.00 O ATOM 0 H SER A 6 -12.416 13.106 -2.096 1.00 0.00 H new ATOM 0 HA SER A 6 -11.804 10.587 -0.831 1.00 0.00 H new ATOM 0 HB2 SER A 6 -14.079 11.895 -1.024 1.00 0.00 H new ATOM 0 HB3 SER A 6 -14.182 11.168 -2.616 1.00 0.00 H new ATOM 0 HG SER A 6 -13.753 9.080 -1.449 1.00 0.00 H new ATOM 101 N LEU A 7 -11.099 10.900 -3.879 1.00 0.00 N ATOM 102 CA LEU A 7 -10.624 10.240 -5.087 1.00 0.00 C ATOM 103 C LEU A 7 -9.141 9.893 -4.984 1.00 0.00 C ATOM 104 O LEU A 7 -8.644 9.053 -5.733 1.00 0.00 O ATOM 105 CB LEU A 7 -10.866 11.130 -6.307 1.00 0.00 C ATOM 106 CG LEU A 7 -10.581 10.471 -7.657 1.00 0.00 C ATOM 107 CD1 LEU A 7 -11.548 9.323 -7.905 1.00 0.00 C ATOM 108 CD2 LEU A 7 -10.668 11.495 -8.779 1.00 0.00 C ATOM 0 H LEU A 7 -10.867 11.892 -3.822 1.00 0.00 H new ATOM 0 HA LEU A 7 -11.184 9.312 -5.201 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -11.904 11.463 -6.294 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -10.244 12.021 -6.217 1.00 0.00 H new ATOM 0 HG LEU A 7 -9.568 10.069 -7.637 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -11.330 8.866 -8.870 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -11.438 8.578 -7.117 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -12.570 9.702 -7.905 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -10.462 11.008 -9.732 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -11.668 11.927 -8.800 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -9.936 12.284 -8.609 1.00 0.00 H new ATOM 120 N VAL A 8 -8.432 10.541 -4.060 1.00 0.00 N ATOM 121 CA VAL A 8 -7.007 10.278 -3.888 1.00 0.00 C ATOM 122 C VAL A 8 -6.763 9.191 -2.841 1.00 0.00 C ATOM 123 O VAL A 8 -5.979 8.271 -3.064 1.00 0.00 O ATOM 124 CB VAL A 8 -6.232 11.558 -3.500 1.00 0.00 C ATOM 125 CG1 VAL A 8 -6.470 11.930 -2.043 1.00 0.00 C ATOM 126 CG2 VAL A 8 -4.746 11.382 -3.773 1.00 0.00 C ATOM 0 H VAL A 8 -8.816 11.243 -3.427 1.00 0.00 H new ATOM 0 HA VAL A 8 -6.635 9.928 -4.851 1.00 0.00 H new ATOM 0 HB VAL A 8 -6.605 12.376 -4.116 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -5.911 12.834 -1.802 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -7.533 12.107 -1.882 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -6.136 11.115 -1.400 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -4.215 12.292 -3.494 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -4.365 10.546 -3.187 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -4.592 11.182 -4.833 1.00 0.00 H new ATOM 136 N ILE A 9 -7.438 9.308 -1.700 1.00 0.00 N ATOM 137 CA ILE A 9 -7.294 8.343 -0.616 1.00 0.00 C ATOM 138 C ILE A 9 -7.976 7.016 -0.949 1.00 0.00 C ATOM 139 O ILE A 9 -7.556 5.957 -0.483 1.00 0.00 O ATOM 140 CB ILE A 9 -7.870 8.906 0.704 1.00 0.00 C ATOM 141 CG1 ILE A 9 -7.194 8.238 1.901 1.00 0.00 C ATOM 142 CG2 ILE A 9 -9.382 8.726 0.767 1.00 0.00 C ATOM 143 CD1 ILE A 9 -5.738 8.616 2.047 1.00 0.00 C ATOM 0 H ILE A 9 -8.092 10.065 -1.503 1.00 0.00 H new ATOM 0 HA ILE A 9 -6.227 8.160 -0.491 1.00 0.00 H new ATOM 0 HB ILE A 9 -7.664 9.976 0.738 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -7.727 8.512 2.811 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -7.274 7.156 1.798 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -9.758 9.131 1.706 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -9.846 9.252 -0.067 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -9.625 7.665 0.707 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -5.316 8.109 2.915 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -5.193 8.317 1.152 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -5.654 9.695 2.180 1.00 0.00 H new ATOM 155 N ALA A 10 -9.032 7.084 -1.751 1.00 0.00 N ATOM 156 CA ALA A 10 -9.777 5.892 -2.141 1.00 0.00 C ATOM 157 C ALA A 10 -8.886 4.879 -2.861 1.00 0.00 C ATOM 158 O ALA A 10 -8.718 3.751 -2.398 1.00 0.00 O ATOM 159 CB ALA A 10 -10.957 6.275 -3.022 1.00 0.00 C ATOM 0 H ALA A 10 -9.392 7.953 -2.145 1.00 0.00 H new ATOM 0 HA ALA A 10 -10.147 5.419 -1.231 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -11.505 5.377 -3.307 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -11.618 6.945 -2.473 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -10.594 6.778 -3.918 1.00 0.00 H new ATOM 165 N PRO A 11 -8.307 5.266 -4.012 1.00 0.00 N ATOM 166 CA PRO A 11 -7.439 4.380 -4.799 1.00 0.00 C ATOM 167 C PRO A 11 -6.179 3.967 -4.043 1.00 0.00 C ATOM 168 O PRO A 11 -5.857 2.782 -3.960 1.00 0.00 O ATOM 169 CB PRO A 11 -7.075 5.224 -6.026 1.00 0.00 C ATOM 170 CG PRO A 11 -7.310 6.633 -5.609 1.00 0.00 C ATOM 171 CD PRO A 11 -8.458 6.588 -4.642 1.00 0.00 C ATOM 0 HA PRO A 11 -7.940 3.443 -5.044 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -6.037 5.067 -6.319 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -7.692 4.959 -6.885 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -6.421 7.056 -5.141 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -7.547 7.261 -6.468 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -8.401 7.393 -3.910 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -9.418 6.686 -5.150 1.00 0.00 H new ATOM 179 N ILE A 12 -5.468 4.948 -3.497 1.00 0.00 N ATOM 180 CA ILE A 12 -4.240 4.681 -2.752 1.00 0.00 C ATOM 181 C ILE A 12 -4.460 3.639 -1.663 1.00 0.00 C ATOM 182 O ILE A 12 -3.527 2.952 -1.249 1.00 0.00 O ATOM 183 CB ILE A 12 -3.678 5.965 -2.112 1.00 0.00 C ATOM 184 CG1 ILE A 12 -4.757 6.666 -1.294 1.00 0.00 C ATOM 185 CG2 ILE A 12 -3.127 6.896 -3.182 1.00 0.00 C ATOM 186 CD1 ILE A 12 -4.775 6.265 0.167 1.00 0.00 C ATOM 0 H ILE A 12 -5.720 5.935 -3.556 1.00 0.00 H new ATOM 0 HA ILE A 12 -3.519 4.295 -3.473 1.00 0.00 H new ATOM 0 HB ILE A 12 -2.862 5.691 -1.443 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -4.609 7.744 -1.363 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -5.731 6.449 -1.733 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -2.734 7.798 -2.712 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -2.328 6.393 -3.726 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -3.924 7.166 -3.875 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -5.569 6.805 0.683 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -4.954 5.193 0.248 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -3.815 6.508 0.623 1.00 0.00 H new ATOM 198 N PHE A 13 -5.699 3.525 -1.207 1.00 0.00 N ATOM 199 CA PHE A 13 -6.042 2.563 -0.167 1.00 0.00 C ATOM 200 C PHE A 13 -5.796 1.138 -0.648 1.00 0.00 C ATOM 201 O PHE A 13 -4.877 0.466 -0.180 1.00 0.00 O ATOM 202 CB PHE A 13 -7.505 2.731 0.252 1.00 0.00 C ATOM 203 CG PHE A 13 -7.719 2.630 1.736 1.00 0.00 C ATOM 204 CD1 PHE A 13 -7.356 3.673 2.573 1.00 0.00 C ATOM 205 CD2 PHE A 13 -8.283 1.493 2.292 1.00 0.00 C ATOM 206 CE1 PHE A 13 -7.551 3.583 3.938 1.00 0.00 C ATOM 207 CE2 PHE A 13 -8.481 1.398 3.656 1.00 0.00 C ATOM 208 CZ PHE A 13 -8.115 2.444 4.480 1.00 0.00 C ATOM 0 H PHE A 13 -6.484 4.086 -1.540 1.00 0.00 H new ATOM 0 HA PHE A 13 -5.404 2.752 0.696 1.00 0.00 H new ATOM 0 HB2 PHE A 13 -7.865 3.700 -0.094 1.00 0.00 H new ATOM 0 HB3 PHE A 13 -8.107 1.971 -0.246 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -6.916 4.566 2.154 1.00 0.00 H new ATOM 0 HD2 PHE A 13 -8.571 0.672 1.652 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -7.263 4.402 4.580 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -8.922 0.507 4.077 1.00 0.00 H new ATOM 0 HZ PHE A 13 -8.269 2.372 5.546 1.00 0.00 H new ATOM 218 N VAL A 14 -6.620 0.683 -1.587 1.00 0.00 N ATOM 219 CA VAL A 14 -6.493 -0.664 -2.135 1.00 0.00 C ATOM 220 C VAL A 14 -5.049 -0.974 -2.523 1.00 0.00 C ATOM 221 O VAL A 14 -4.626 -2.129 -2.500 1.00 0.00 O ATOM 222 CB VAL A 14 -7.400 -0.855 -3.368 1.00 0.00 C ATOM 223 CG1 VAL A 14 -7.004 0.104 -4.480 1.00 0.00 C ATOM 224 CG2 VAL A 14 -7.350 -2.297 -3.852 1.00 0.00 C ATOM 0 H VAL A 14 -7.384 1.228 -1.985 1.00 0.00 H new ATOM 0 HA VAL A 14 -6.806 -1.353 -1.351 1.00 0.00 H new ATOM 0 HB VAL A 14 -8.426 -0.630 -3.077 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -7.656 -0.047 -5.340 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -7.101 1.131 -4.127 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -5.970 -0.083 -4.771 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -7.996 -2.411 -4.722 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -6.326 -2.554 -4.124 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -7.692 -2.960 -3.057 1.00 0.00 H new ATOM 234 N GLY A 15 -4.298 0.064 -2.876 1.00 0.00 N ATOM 235 CA GLY A 15 -2.911 -0.120 -3.261 1.00 0.00 C ATOM 236 C GLY A 15 -1.984 -0.209 -2.065 1.00 0.00 C ATOM 237 O GLY A 15 -1.056 -1.018 -2.050 1.00 0.00 O ATOM 0 H GLY A 15 -4.625 1.030 -2.902 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -2.820 -1.029 -3.856 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -2.600 0.709 -3.896 1.00 0.00 H new ATOM 241 N LEU A 16 -2.234 0.625 -1.061 1.00 0.00 N ATOM 242 CA LEU A 16 -1.412 0.636 0.144 1.00 0.00 C ATOM 243 C LEU A 16 -1.590 -0.656 0.935 1.00 0.00 C ATOM 244 O LEU A 16 -0.667 -1.114 1.608 1.00 0.00 O ATOM 245 CB LEU A 16 -1.766 1.840 1.020 1.00 0.00 C ATOM 246 CG LEU A 16 -0.883 3.071 0.816 1.00 0.00 C ATOM 247 CD1 LEU A 16 0.543 2.784 1.261 1.00 0.00 C ATOM 248 CD2 LEU A 16 -0.910 3.512 -0.640 1.00 0.00 C ATOM 0 H LEU A 16 -2.998 1.301 -1.058 1.00 0.00 H new ATOM 0 HA LEU A 16 -0.368 0.714 -0.159 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -2.802 2.119 0.826 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -1.707 1.539 2.066 1.00 0.00 H new ATOM 0 HG LEU A 16 -1.277 3.882 1.428 1.00 0.00 H new ATOM 0 HD11 LEU A 16 1.157 3.671 1.108 1.00 0.00 H new ATOM 0 HD12 LEU A 16 0.548 2.517 2.318 1.00 0.00 H new ATOM 0 HD13 LEU A 16 0.947 1.958 0.676 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -0.276 4.389 -0.766 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -0.541 2.704 -1.272 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -1.932 3.759 -0.926 1.00 0.00 H new ATOM 260 N VAL A 17 -2.779 -1.244 0.844 1.00 0.00 N ATOM 261 CA VAL A 17 -3.066 -2.490 1.548 1.00 0.00 C ATOM 262 C VAL A 17 -2.415 -3.659 0.835 1.00 0.00 C ATOM 263 O VAL A 17 -1.689 -4.449 1.438 1.00 0.00 O ATOM 264 CB VAL A 17 -4.578 -2.782 1.642 1.00 0.00 C ATOM 265 CG1 VAL A 17 -4.882 -3.600 2.889 1.00 0.00 C ATOM 266 CG2 VAL A 17 -5.398 -1.497 1.629 1.00 0.00 C ATOM 0 H VAL A 17 -3.556 -0.880 0.293 1.00 0.00 H new ATOM 0 HA VAL A 17 -2.666 -2.370 2.555 1.00 0.00 H new ATOM 0 HB VAL A 17 -4.862 -3.362 0.764 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -5.952 -3.798 2.942 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -4.340 -4.545 2.846 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -4.572 -3.044 3.774 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -6.458 -1.741 1.697 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -5.114 -0.875 2.478 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -5.209 -0.954 0.703 1.00 0.00 H new ATOM 276 N LEU A 18 -2.691 -3.762 -0.459 1.00 0.00 N ATOM 277 CA LEU A 18 -2.148 -4.832 -1.272 1.00 0.00 C ATOM 278 C LEU A 18 -0.628 -4.905 -1.127 1.00 0.00 C ATOM 279 O LEU A 18 -0.033 -5.978 -1.231 1.00 0.00 O ATOM 280 CB LEU A 18 -2.553 -4.621 -2.734 1.00 0.00 C ATOM 281 CG LEU A 18 -1.448 -4.121 -3.661 1.00 0.00 C ATOM 282 CD1 LEU A 18 -0.582 -5.283 -4.113 1.00 0.00 C ATOM 283 CD2 LEU A 18 -2.050 -3.393 -4.850 1.00 0.00 C ATOM 0 H LEU A 18 -3.291 -3.112 -0.966 1.00 0.00 H new ATOM 0 HA LEU A 18 -2.556 -5.783 -0.929 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -2.932 -5.564 -3.127 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -3.378 -3.909 -2.764 1.00 0.00 H new ATOM 0 HG LEU A 18 -0.817 -3.417 -3.118 1.00 0.00 H new ATOM 0 HD11 LEU A 18 0.203 -4.916 -4.774 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -0.131 -5.760 -3.243 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -1.196 -6.008 -4.647 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -1.252 -3.041 -5.504 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -2.698 -4.073 -5.403 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -2.633 -2.542 -4.498 1.00 0.00 H new ATOM 295 N GLU A 19 -0.012 -3.753 -0.878 1.00 0.00 N ATOM 296 CA GLU A 19 1.433 -3.677 -0.710 1.00 0.00 C ATOM 297 C GLU A 19 1.840 -4.184 0.669 1.00 0.00 C ATOM 298 O GLU A 19 2.838 -4.891 0.814 1.00 0.00 O ATOM 299 CB GLU A 19 1.912 -2.236 -0.898 1.00 0.00 C ATOM 300 CG GLU A 19 2.213 -1.879 -2.344 1.00 0.00 C ATOM 301 CD GLU A 19 3.689 -1.981 -2.675 1.00 0.00 C ATOM 302 OE1 GLU A 19 4.507 -1.408 -1.925 1.00 0.00 O ATOM 303 OE2 GLU A 19 4.028 -2.636 -3.684 1.00 0.00 O ATOM 0 H GLU A 19 -0.494 -2.858 -0.788 1.00 0.00 H new ATOM 0 HA GLU A 19 1.900 -4.309 -1.466 1.00 0.00 H new ATOM 0 HB2 GLU A 19 1.151 -1.556 -0.516 1.00 0.00 H new ATOM 0 HB3 GLU A 19 2.809 -2.079 -0.299 1.00 0.00 H new ATOM 0 HG2 GLU A 19 1.650 -2.541 -3.002 1.00 0.00 H new ATOM 0 HG3 GLU A 19 1.869 -0.864 -2.543 1.00 0.00 H new ATOM 310 N MET A 20 1.058 -3.816 1.680 1.00 0.00 N ATOM 311 CA MET A 20 1.324 -4.225 3.050 1.00 0.00 C ATOM 312 C MET A 20 1.522 -5.733 3.154 1.00 0.00 C ATOM 313 O MET A 20 2.413 -6.204 3.860 1.00 0.00 O ATOM 314 CB MET A 20 0.169 -3.795 3.950 1.00 0.00 C ATOM 315 CG MET A 20 0.572 -3.634 5.400 1.00 0.00 C ATOM 316 SD MET A 20 -0.838 -3.367 6.491 1.00 0.00 S ATOM 317 CE MET A 20 -0.678 -1.616 6.828 1.00 0.00 C ATOM 0 H MET A 20 0.230 -3.231 1.571 1.00 0.00 H new ATOM 0 HA MET A 20 2.245 -3.740 3.373 1.00 0.00 H new ATOM 0 HB2 MET A 20 -0.236 -2.851 3.585 1.00 0.00 H new ATOM 0 HB3 MET A 20 -0.631 -4.532 3.881 1.00 0.00 H new ATOM 0 HG2 MET A 20 1.112 -4.524 5.723 1.00 0.00 H new ATOM 0 HG3 MET A 20 1.260 -2.793 5.490 1.00 0.00 H new ATOM 0 HE1 MET A 20 -1.482 -1.298 7.493 1.00 0.00 H new ATOM 0 HE2 MET A 20 0.284 -1.423 7.304 1.00 0.00 H new ATOM 0 HE3 MET A 20 -0.739 -1.059 5.893 1.00 0.00 H new ATOM 327 N ILE A 21 0.689 -6.485 2.445 1.00 0.00 N ATOM 328 CA ILE A 21 0.777 -7.934 2.458 1.00 0.00 C ATOM 329 C ILE A 21 1.753 -8.415 1.393 1.00 0.00 C ATOM 330 O ILE A 21 2.466 -9.399 1.590 1.00 0.00 O ATOM 331 CB ILE A 21 -0.616 -8.585 2.258 1.00 0.00 C ATOM 332 CG1 ILE A 21 -0.484 -10.076 1.926 1.00 0.00 C ATOM 333 CG2 ILE A 21 -1.408 -7.857 1.179 1.00 0.00 C ATOM 334 CD1 ILE A 21 0.020 -10.339 0.524 1.00 0.00 C ATOM 0 H ILE A 21 -0.054 -6.112 1.855 1.00 0.00 H new ATOM 0 HA ILE A 21 1.148 -8.240 3.436 1.00 0.00 H new ATOM 0 HB ILE A 21 -1.164 -8.497 3.196 1.00 0.00 H new ATOM 0 HG12 ILE A 21 0.195 -10.541 2.641 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -1.455 -10.555 2.051 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -2.381 -8.333 1.058 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -1.547 -6.816 1.470 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -0.863 -7.900 0.236 1.00 0.00 H new ATOM 0 HD11 ILE A 21 0.089 -11.414 0.358 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -0.670 -9.904 -0.198 1.00 0.00 H new ATOM 0 HD13 ILE A 21 1.005 -9.889 0.401 1.00 0.00 H new ATOM 346 N SER A 22 1.782 -7.718 0.263 1.00 0.00 N ATOM 347 CA SER A 22 2.674 -8.081 -0.828 1.00 0.00 C ATOM 348 C SER A 22 4.122 -8.117 -0.353 1.00 0.00 C ATOM 349 O SER A 22 4.938 -8.874 -0.876 1.00 0.00 O ATOM 350 CB SER A 22 2.524 -7.098 -1.990 1.00 0.00 C ATOM 351 OG SER A 22 3.421 -7.408 -3.041 1.00 0.00 O ATOM 0 H SER A 22 1.199 -6.901 0.080 1.00 0.00 H new ATOM 0 HA SER A 22 2.400 -9.078 -1.174 1.00 0.00 H new ATOM 0 HB2 SER A 22 1.500 -7.124 -2.362 1.00 0.00 H new ATOM 0 HB3 SER A 22 2.709 -6.083 -1.638 1.00 0.00 H new ATOM 0 HG SER A 22 3.303 -6.766 -3.772 1.00 0.00 H new ATOM 357 N ARG A 23 4.430 -7.302 0.650 1.00 0.00 N ATOM 358 CA ARG A 23 5.777 -7.254 1.202 1.00 0.00 C ATOM 359 C ARG A 23 6.034 -8.482 2.064 1.00 0.00 C ATOM 360 O ARG A 23 7.086 -9.111 1.967 1.00 0.00 O ATOM 361 CB ARG A 23 5.977 -5.977 2.022 1.00 0.00 C ATOM 362 CG ARG A 23 6.828 -4.930 1.321 1.00 0.00 C ATOM 363 CD ARG A 23 6.326 -4.655 -0.088 1.00 0.00 C ATOM 364 NE ARG A 23 6.969 -3.485 -0.680 1.00 0.00 N ATOM 365 CZ ARG A 23 6.635 -2.229 -0.390 1.00 0.00 C ATOM 366 NH1 ARG A 23 5.668 -1.977 0.483 1.00 0.00 N ATOM 367 NH2 ARG A 23 7.271 -1.223 -0.975 1.00 0.00 N ATOM 0 H ARG A 23 3.767 -6.668 1.096 1.00 0.00 H new ATOM 0 HA ARG A 23 6.490 -7.248 0.378 1.00 0.00 H new ATOM 0 HB2 ARG A 23 5.002 -5.546 2.252 1.00 0.00 H new ATOM 0 HB3 ARG A 23 6.444 -6.235 2.973 1.00 0.00 H new ATOM 0 HG2 ARG A 23 6.818 -4.006 1.899 1.00 0.00 H new ATOM 0 HG3 ARG A 23 7.863 -5.269 1.280 1.00 0.00 H new ATOM 0 HD2 ARG A 23 6.512 -5.527 -0.715 1.00 0.00 H new ATOM 0 HD3 ARG A 23 5.247 -4.503 -0.065 1.00 0.00 H new ATOM 0 HE ARG A 23 7.718 -3.639 -1.355 1.00 0.00 H new ATOM 0 HH11 ARG A 23 5.176 -2.747 0.936 1.00 0.00 H new ATOM 0 HH12 ARG A 23 5.416 -1.013 0.701 1.00 0.00 H new ATOM 0 HH21 ARG A 23 8.015 -1.412 -1.646 1.00 0.00 H new ATOM 0 HH22 ARG A 23 7.016 -0.261 -0.754 1.00 0.00 H new ATOM 381 N VAL A 24 5.055 -8.829 2.895 1.00 0.00 N ATOM 382 CA VAL A 24 5.166 -9.997 3.762 1.00 0.00 C ATOM 383 C VAL A 24 5.504 -11.227 2.940 1.00 0.00 C ATOM 384 O VAL A 24 6.221 -12.119 3.392 1.00 0.00 O ATOM 385 CB VAL A 24 3.864 -10.256 4.542 1.00 0.00 C ATOM 386 CG1 VAL A 24 4.103 -11.251 5.666 1.00 0.00 C ATOM 387 CG2 VAL A 24 3.292 -8.955 5.085 1.00 0.00 C ATOM 0 H VAL A 24 4.177 -8.318 2.986 1.00 0.00 H new ATOM 0 HA VAL A 24 5.962 -9.794 4.479 1.00 0.00 H new ATOM 0 HB VAL A 24 3.134 -10.685 3.855 1.00 0.00 H new ATOM 0 HG11 VAL A 24 3.171 -11.421 6.206 1.00 0.00 H new ATOM 0 HG12 VAL A 24 4.458 -12.193 5.248 1.00 0.00 H new ATOM 0 HG13 VAL A 24 4.852 -10.853 6.351 1.00 0.00 H new ATOM 0 HG21 VAL A 24 2.372 -9.162 5.632 1.00 0.00 H new ATOM 0 HG22 VAL A 24 4.016 -8.491 5.754 1.00 0.00 H new ATOM 0 HG23 VAL A 24 3.077 -8.279 4.258 1.00 0.00 H new ATOM 397 N LEU A 25 4.984 -11.257 1.721 1.00 0.00 N ATOM 398 CA LEU A 25 5.229 -12.365 0.815 1.00 0.00 C ATOM 399 C LEU A 25 6.714 -12.525 0.529 1.00 0.00 C ATOM 400 O LEU A 25 7.156 -13.584 0.083 1.00 0.00 O ATOM 401 CB LEU A 25 4.466 -12.153 -0.493 1.00 0.00 C ATOM 402 CG LEU A 25 3.002 -12.595 -0.469 1.00 0.00 C ATOM 403 CD1 LEU A 25 2.238 -11.972 -1.626 1.00 0.00 C ATOM 404 CD2 LEU A 25 2.904 -14.113 -0.519 1.00 0.00 C ATOM 0 H LEU A 25 4.388 -10.523 1.338 1.00 0.00 H new ATOM 0 HA LEU A 25 4.875 -13.277 1.296 1.00 0.00 H new ATOM 0 HB2 LEU A 25 4.506 -11.095 -0.751 1.00 0.00 H new ATOM 0 HB3 LEU A 25 4.980 -12.694 -1.287 1.00 0.00 H new ATOM 0 HG LEU A 25 2.553 -12.251 0.463 1.00 0.00 H new ATOM 0 HD11 LEU A 25 1.198 -12.298 -1.593 1.00 0.00 H new ATOM 0 HD12 LEU A 25 2.281 -10.886 -1.547 1.00 0.00 H new ATOM 0 HD13 LEU A 25 2.686 -12.285 -2.569 1.00 0.00 H new ATOM 0 HD21 LEU A 25 1.856 -14.411 -0.501 1.00 0.00 H new ATOM 0 HD22 LEU A 25 3.369 -14.478 -1.435 1.00 0.00 H new ATOM 0 HD23 LEU A 25 3.417 -14.539 0.343 1.00 0.00 H new ATOM 416 N ASP A 26 7.480 -11.471 0.772 1.00 0.00 N ATOM 417 CA ASP A 26 8.908 -11.513 0.520 1.00 0.00 C ATOM 418 C ASP A 26 9.662 -10.536 1.418 1.00 0.00 C ATOM 419 O ASP A 26 10.668 -9.955 1.011 1.00 0.00 O ATOM 420 CB ASP A 26 9.156 -11.199 -0.949 1.00 0.00 C ATOM 421 CG ASP A 26 10.515 -11.674 -1.425 1.00 0.00 C ATOM 422 OD1 ASP A 26 11.433 -11.785 -0.586 1.00 0.00 O ATOM 423 OD2 ASP A 26 10.662 -11.933 -2.638 1.00 0.00 O ATOM 0 H ASP A 26 7.137 -10.584 1.141 1.00 0.00 H new ATOM 0 HA ASP A 26 9.281 -12.511 0.751 1.00 0.00 H new ATOM 0 HB2 ASP A 26 8.379 -11.668 -1.553 1.00 0.00 H new ATOM 0 HB3 ASP A 26 9.076 -10.123 -1.105 1.00 0.00 H new ATOM 428 N GLU A 27 9.169 -10.362 2.640 1.00 0.00 N ATOM 429 CA GLU A 27 9.797 -9.456 3.595 1.00 0.00 C ATOM 430 C GLU A 27 11.016 -10.105 4.241 1.00 0.00 C ATOM 431 O GLU A 27 12.079 -9.492 4.342 1.00 0.00 O ATOM 432 CB GLU A 27 8.793 -9.042 4.672 1.00 0.00 C ATOM 433 CG GLU A 27 8.016 -7.782 4.329 1.00 0.00 C ATOM 434 CD GLU A 27 8.518 -6.564 5.080 1.00 0.00 C ATOM 435 OE1 GLU A 27 9.751 -6.379 5.153 1.00 0.00 O ATOM 436 OE2 GLU A 27 7.678 -5.796 5.595 1.00 0.00 O ATOM 0 H GLU A 27 8.337 -10.836 2.992 1.00 0.00 H new ATOM 0 HA GLU A 27 10.126 -8.569 3.054 1.00 0.00 H new ATOM 0 HB2 GLU A 27 8.090 -9.859 4.835 1.00 0.00 H new ATOM 0 HB3 GLU A 27 9.324 -8.887 5.611 1.00 0.00 H new ATOM 0 HG2 GLU A 27 8.086 -7.597 3.257 1.00 0.00 H new ATOM 0 HG3 GLU A 27 6.962 -7.936 4.558 1.00 0.00 H new ATOM 443 N GLU A 28 10.855 -11.351 4.677 1.00 0.00 N ATOM 444 CA GLU A 28 11.943 -12.084 5.313 1.00 0.00 C ATOM 445 C GLU A 28 13.129 -12.230 4.365 1.00 0.00 C ATOM 446 O GLU A 28 13.049 -12.932 3.358 1.00 0.00 O ATOM 447 CB GLU A 28 11.461 -13.465 5.762 1.00 0.00 C ATOM 448 CG GLU A 28 12.081 -13.930 7.069 1.00 0.00 C ATOM 449 CD GLU A 28 11.370 -13.367 8.284 1.00 0.00 C ATOM 450 OE1 GLU A 28 11.258 -12.127 8.385 1.00 0.00 O ATOM 451 OE2 GLU A 28 10.926 -14.166 9.135 1.00 0.00 O ATOM 0 H GLU A 28 9.982 -11.873 4.601 1.00 0.00 H new ATOM 0 HA GLU A 28 12.267 -11.518 6.186 1.00 0.00 H new ATOM 0 HB2 GLU A 28 10.377 -13.445 5.871 1.00 0.00 H new ATOM 0 HB3 GLU A 28 11.689 -14.192 4.982 1.00 0.00 H new ATOM 0 HG2 GLU A 28 12.057 -15.019 7.111 1.00 0.00 H new ATOM 0 HG3 GLU A 28 13.129 -13.633 7.096 1.00 0.00 H new ATOM 458 N ASP A 29 14.229 -11.561 4.695 1.00 0.00 N ATOM 459 CA ASP A 29 15.433 -11.616 3.874 1.00 0.00 C ATOM 460 C ASP A 29 16.642 -12.028 4.707 1.00 0.00 C ATOM 461 O ASP A 29 16.618 -11.949 5.935 1.00 0.00 O ATOM 462 CB ASP A 29 15.690 -10.259 3.217 1.00 0.00 C ATOM 463 CG ASP A 29 14.590 -9.868 2.249 1.00 0.00 C ATOM 464 OD1 ASP A 29 13.989 -10.774 1.636 1.00 0.00 O ATOM 465 OD2 ASP A 29 14.331 -8.654 2.104 1.00 0.00 O ATOM 0 H ASP A 29 14.311 -10.974 5.525 1.00 0.00 H new ATOM 0 HA ASP A 29 15.278 -12.365 3.097 1.00 0.00 H new ATOM 0 HB2 ASP A 29 15.779 -9.495 3.990 1.00 0.00 H new ATOM 0 HB3 ASP A 29 16.642 -10.289 2.688 1.00 0.00 H new ATOM 470 N ASP A 30 17.699 -12.467 4.030 1.00 0.00 N ATOM 471 CA ASP A 30 18.918 -12.891 4.708 1.00 0.00 C ATOM 472 C ASP A 30 19.923 -11.746 4.786 1.00 0.00 C ATOM 473 O ASP A 30 19.868 -10.803 3.997 1.00 0.00 O ATOM 474 CB ASP A 30 19.542 -14.084 3.982 1.00 0.00 C ATOM 475 CG ASP A 30 19.007 -15.410 4.484 1.00 0.00 C ATOM 476 OD1 ASP A 30 17.876 -15.432 5.015 1.00 0.00 O ATOM 477 OD2 ASP A 30 19.717 -16.428 4.346 1.00 0.00 O ATOM 0 H ASP A 30 17.735 -12.538 3.013 1.00 0.00 H new ATOM 0 HA ASP A 30 18.655 -13.190 5.723 1.00 0.00 H new ATOM 0 HB2 ASP A 30 19.347 -13.998 2.913 1.00 0.00 H new ATOM 0 HB3 ASP A 30 20.624 -14.059 4.112 1.00 0.00 H new ATOM 482 N SER A 31 20.841 -11.835 5.743 1.00 0.00 N ATOM 483 CA SER A 31 21.859 -10.807 5.924 1.00 0.00 C ATOM 484 C SER A 31 23.184 -11.424 6.362 1.00 0.00 C ATOM 485 O SER A 31 24.215 -11.224 5.721 1.00 0.00 O ATOM 486 CB SER A 31 21.397 -9.778 6.957 1.00 0.00 C ATOM 487 OG SER A 31 22.095 -8.554 6.806 1.00 0.00 O ATOM 0 H SER A 31 20.901 -12.609 6.405 1.00 0.00 H new ATOM 0 HA SER A 31 22.010 -10.308 4.967 1.00 0.00 H new ATOM 0 HB2 SER A 31 20.326 -9.605 6.849 1.00 0.00 H new ATOM 0 HB3 SER A 31 21.557 -10.170 7.962 1.00 0.00 H new ATOM 0 HG SER A 31 21.780 -7.913 7.477 1.00 0.00 H new ATOM 493 N ARG A 32 23.147 -12.174 7.458 1.00 0.00 N ATOM 494 CA ARG A 32 24.345 -12.821 7.982 1.00 0.00 C ATOM 495 C ARG A 32 24.069 -14.281 8.325 1.00 0.00 C ATOM 496 O ARG A 32 23.403 -14.581 9.316 1.00 0.00 O ATOM 497 CB ARG A 32 24.849 -12.080 9.222 1.00 0.00 C ATOM 498 CG ARG A 32 25.808 -10.945 8.905 1.00 0.00 C ATOM 499 CD ARG A 32 25.844 -9.917 10.024 1.00 0.00 C ATOM 500 NE ARG A 32 26.980 -10.123 10.920 1.00 0.00 N ATOM 501 CZ ARG A 32 27.435 -9.200 11.765 1.00 0.00 C ATOM 502 NH1 ARG A 32 26.855 -8.008 11.831 1.00 0.00 N ATOM 503 NH2 ARG A 32 28.472 -9.470 12.545 1.00 0.00 N ATOM 0 H ARG A 32 22.301 -12.349 8.001 1.00 0.00 H new ATOM 0 HA ARG A 32 25.113 -12.787 7.210 1.00 0.00 H new ATOM 0 HB2 ARG A 32 23.995 -11.681 9.768 1.00 0.00 H new ATOM 0 HB3 ARG A 32 25.346 -12.791 9.883 1.00 0.00 H new ATOM 0 HG2 ARG A 32 26.809 -11.347 8.746 1.00 0.00 H new ATOM 0 HG3 ARG A 32 25.507 -10.462 7.975 1.00 0.00 H new ATOM 0 HD2 ARG A 32 25.897 -8.916 9.595 1.00 0.00 H new ATOM 0 HD3 ARG A 32 24.917 -9.970 10.595 1.00 0.00 H new ATOM 0 HE ARG A 32 27.452 -11.027 10.897 1.00 0.00 H new ATOM 0 HH11 ARG A 32 26.057 -7.795 11.233 1.00 0.00 H new ATOM 0 HH12 ARG A 32 27.208 -7.305 12.480 1.00 0.00 H new ATOM 0 HH21 ARG A 32 28.921 -10.385 12.498 1.00 0.00 H new ATOM 0 HH22 ARG A 32 28.821 -8.763 13.192 1.00 0.00 H new ATOM 517 N LYS A 33 24.586 -15.185 7.500 1.00 0.00 N ATOM 518 CA LYS A 33 24.395 -16.615 7.716 1.00 0.00 C ATOM 519 C LYS A 33 25.694 -17.379 7.478 1.00 0.00 C ATOM 520 O LYS A 33 25.678 -18.622 7.597 1.00 0.00 O ATOM 521 CB LYS A 33 23.299 -17.150 6.792 1.00 0.00 C ATOM 522 CG LYS A 33 22.485 -18.277 7.405 1.00 0.00 C ATOM 523 CD LYS A 33 21.513 -17.758 8.452 1.00 0.00 C ATOM 524 CE LYS A 33 20.147 -17.471 7.851 1.00 0.00 C ATOM 525 NZ LYS A 33 19.418 -18.723 7.506 1.00 0.00 N ATOM 526 OXT LYS A 33 26.716 -16.728 7.176 1.00 0.00 O ATOM 0 H LYS A 33 25.140 -14.953 6.676 1.00 0.00 H new ATOM 0 HA LYS A 33 24.091 -16.763 8.752 1.00 0.00 H new ATOM 0 HB2 LYS A 33 22.629 -16.333 6.525 1.00 0.00 H new ATOM 0 HB3 LYS A 33 23.755 -17.503 5.867 1.00 0.00 H new ATOM 0 HG2 LYS A 33 21.934 -18.797 6.621 1.00 0.00 H new ATOM 0 HG3 LYS A 33 23.156 -19.006 7.860 1.00 0.00 H new ATOM 0 HD2 LYS A 33 21.413 -18.491 9.252 1.00 0.00 H new ATOM 0 HD3 LYS A 33 21.912 -16.849 8.901 1.00 0.00 H new ATOM 0 HE2 LYS A 33 19.555 -16.889 8.557 1.00 0.00 H new ATOM 0 HE3 LYS A 33 20.265 -16.861 6.955 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 18.405 -18.515 7.392 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 19.794 -19.110 6.617 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 19.545 -19.420 8.268 1.00 0.00 H new TER 540 LYS A 33