USER MOD reduce.3.24.130724 H: found=0, std=0, add=265, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 265 hydrogens (3 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 3 TYR OH : rot -133:sc= 1.63 USER MOD Single : A 5 TYR OH : rot 180:sc= 0 USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot 85:sc= 1.03 USER MOD Single : A 11 THR OG1 : rot 68:sc= 0.486 USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 26 THR OG1 : rot 77:sc= 0.0412 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- HETATM 1 C ACE A 1 42.070 -13.569 -0.882 1.00 0.00 C HETATM 2 O ACE A 1 42.596 -14.441 -0.217 1.00 0.00 O HETATM 3 CH3 ACE A 1 41.494 -13.869 -2.267 1.00 0.00 C HETATM 0 H1 ACE A 1 40.428 -13.642 -2.275 1.00 0.00 H new HETATM 0 H2 ACE A 1 42.001 -13.256 -3.012 1.00 0.00 H new HETATM 0 H3 ACE A 1 41.642 -14.923 -2.502 1.00 0.00 H new ATOM 7 N ARG A 2 41.974 -12.340 -0.447 1.00 0.00 N ATOM 8 CA ARG A 2 42.511 -11.964 0.892 1.00 0.00 C ATOM 9 C ARG A 2 41.360 -11.639 1.861 1.00 0.00 C ATOM 10 O ARG A 2 41.573 -11.479 3.048 1.00 0.00 O ATOM 11 CB ARG A 2 43.406 -10.733 0.744 1.00 0.00 C ATOM 12 CG ARG A 2 44.845 -11.167 0.436 1.00 0.00 C ATOM 13 CD ARG A 2 45.678 -11.152 1.721 1.00 0.00 C ATOM 14 NE ARG A 2 47.085 -11.536 1.409 1.00 0.00 N ATOM 15 CZ ARG A 2 47.438 -12.794 1.418 1.00 0.00 C ATOM 16 NH1 ARG A 2 47.317 -13.498 2.511 1.00 0.00 N ATOM 17 NH2 ARG A 2 47.912 -13.346 0.335 1.00 0.00 N ATOM 0 H ARG A 2 41.543 -11.576 -0.967 1.00 0.00 H new ATOM 0 HA ARG A 2 43.083 -12.801 1.292 1.00 0.00 H new ATOM 0 HB2 ARG A 2 43.031 -10.094 -0.055 1.00 0.00 H new ATOM 0 HB3 ARG A 2 43.383 -10.144 1.661 1.00 0.00 H new ATOM 0 HG2 ARG A 2 44.848 -12.167 0.002 1.00 0.00 H new ATOM 0 HG3 ARG A 2 45.286 -10.497 -0.302 1.00 0.00 H new ATOM 0 HD2 ARG A 2 45.652 -10.160 2.171 1.00 0.00 H new ATOM 0 HD3 ARG A 2 45.254 -11.844 2.449 1.00 0.00 H new ATOM 0 HE ARG A 2 47.773 -10.816 1.188 1.00 0.00 H new ATOM 0 HH11 ARG A 2 46.947 -13.066 3.358 1.00 0.00 H new ATOM 0 HH12 ARG A 2 47.592 -14.480 2.518 1.00 0.00 H new ATOM 0 HH21 ARG A 2 48.007 -12.796 -0.518 1.00 0.00 H new ATOM 0 HH22 ARG A 2 48.188 -14.328 0.342 1.00 0.00 H new ATOM 31 N TYR A 3 40.146 -11.539 1.368 1.00 0.00 N ATOM 32 CA TYR A 3 38.986 -11.225 2.254 1.00 0.00 C ATOM 33 C TYR A 3 37.853 -12.239 1.994 1.00 0.00 C ATOM 34 O TYR A 3 36.832 -11.896 1.430 1.00 0.00 O ATOM 35 CB TYR A 3 38.497 -9.795 1.958 1.00 0.00 C ATOM 36 CG TYR A 3 38.520 -8.963 3.222 1.00 0.00 C ATOM 37 CD1 TYR A 3 39.692 -8.880 3.981 1.00 0.00 C ATOM 38 CD2 TYR A 3 37.372 -8.269 3.626 1.00 0.00 C ATOM 39 CE1 TYR A 3 39.719 -8.103 5.145 1.00 0.00 C ATOM 40 CE2 TYR A 3 37.398 -7.493 4.791 1.00 0.00 C ATOM 41 CZ TYR A 3 38.572 -7.409 5.550 1.00 0.00 C ATOM 42 OH TYR A 3 38.600 -6.641 6.696 1.00 0.00 O ATOM 0 H TYR A 3 39.912 -11.663 0.383 1.00 0.00 H new ATOM 0 HA TYR A 3 39.287 -11.292 3.299 1.00 0.00 H new ATOM 0 HB2 TYR A 3 39.131 -9.336 1.200 1.00 0.00 H new ATOM 0 HB3 TYR A 3 37.486 -9.825 1.552 1.00 0.00 H new ATOM 0 HD1 TYR A 3 40.576 -9.416 3.669 1.00 0.00 H new ATOM 0 HD2 TYR A 3 36.468 -8.333 3.039 1.00 0.00 H new ATOM 0 HE1 TYR A 3 40.624 -8.039 5.731 1.00 0.00 H new ATOM 0 HE2 TYR A 3 36.513 -6.959 5.104 1.00 0.00 H new ATOM 0 HH TYR A 3 37.809 -6.837 7.241 1.00 0.00 H new ATOM 52 N PRO A 4 38.058 -13.468 2.414 1.00 0.00 N ATOM 53 CA PRO A 4 37.089 -14.603 2.263 1.00 0.00 C ATOM 54 C PRO A 4 36.042 -14.572 3.384 1.00 0.00 C ATOM 55 O PRO A 4 34.906 -14.192 3.173 1.00 0.00 O ATOM 56 CB PRO A 4 37.924 -15.873 2.339 1.00 0.00 C ATOM 57 CG PRO A 4 39.189 -15.521 3.093 1.00 0.00 C ATOM 58 CD PRO A 4 39.288 -13.996 3.118 1.00 0.00 C ATOM 0 HA PRO A 4 36.542 -14.541 1.322 1.00 0.00 H new ATOM 0 HB2 PRO A 4 37.377 -16.665 2.850 1.00 0.00 H new ATOM 0 HB3 PRO A 4 38.159 -16.241 1.340 1.00 0.00 H new ATOM 0 HG2 PRO A 4 39.157 -15.922 4.106 1.00 0.00 H new ATOM 0 HG3 PRO A 4 40.062 -15.956 2.605 1.00 0.00 H new ATOM 0 HD2 PRO A 4 39.335 -13.628 4.143 1.00 0.00 H new ATOM 0 HD3 PRO A 4 40.195 -13.659 2.617 1.00 0.00 H new ATOM 66 N TYR A 5 36.418 -14.980 4.565 1.00 0.00 N ATOM 67 CA TYR A 5 35.457 -14.992 5.709 1.00 0.00 C ATOM 68 C TYR A 5 35.267 -13.572 6.250 1.00 0.00 C ATOM 69 O TYR A 5 34.215 -13.230 6.756 1.00 0.00 O ATOM 70 CB TYR A 5 36.012 -15.891 6.815 1.00 0.00 C ATOM 71 CG TYR A 5 34.963 -16.096 7.881 1.00 0.00 C ATOM 72 CD1 TYR A 5 34.810 -15.152 8.903 1.00 0.00 C ATOM 73 CD2 TYR A 5 34.149 -17.234 7.850 1.00 0.00 C ATOM 74 CE1 TYR A 5 33.842 -15.347 9.896 1.00 0.00 C ATOM 75 CE2 TYR A 5 33.181 -17.428 8.842 1.00 0.00 C ATOM 76 CZ TYR A 5 33.027 -16.485 9.865 1.00 0.00 C ATOM 77 OH TYR A 5 32.075 -16.679 10.844 1.00 0.00 O ATOM 0 H TYR A 5 37.357 -15.309 4.790 1.00 0.00 H new ATOM 0 HA TYR A 5 34.493 -15.372 5.370 1.00 0.00 H new ATOM 0 HB2 TYR A 5 36.313 -16.852 6.398 1.00 0.00 H new ATOM 0 HB3 TYR A 5 36.903 -15.439 7.251 1.00 0.00 H new ATOM 0 HD1 TYR A 5 35.438 -14.274 8.926 1.00 0.00 H new ATOM 0 HD2 TYR A 5 34.268 -17.962 7.061 1.00 0.00 H new ATOM 0 HE1 TYR A 5 33.724 -14.620 10.686 1.00 0.00 H new ATOM 0 HE2 TYR A 5 32.552 -18.306 8.818 1.00 0.00 H new ATOM 0 HH TYR A 5 31.596 -17.517 10.673 1.00 0.00 H new ATOM 87 N TYR A 6 36.277 -12.747 6.150 1.00 0.00 N ATOM 88 CA TYR A 6 36.168 -11.349 6.657 1.00 0.00 C ATOM 89 C TYR A 6 35.189 -10.541 5.791 1.00 0.00 C ATOM 90 O TYR A 6 34.770 -9.462 6.166 1.00 0.00 O ATOM 91 CB TYR A 6 37.554 -10.704 6.608 1.00 0.00 C ATOM 92 CG TYR A 6 37.759 -9.838 7.828 1.00 0.00 C ATOM 93 CD1 TYR A 6 37.122 -8.595 7.917 1.00 0.00 C ATOM 94 CD2 TYR A 6 38.582 -10.280 8.870 1.00 0.00 C ATOM 95 CE1 TYR A 6 37.311 -7.792 9.049 1.00 0.00 C ATOM 96 CE2 TYR A 6 38.771 -9.478 10.002 1.00 0.00 C ATOM 97 CZ TYR A 6 38.135 -8.234 10.091 1.00 0.00 C ATOM 98 OH TYR A 6 38.321 -7.442 11.206 1.00 0.00 O ATOM 0 H TYR A 6 37.178 -12.985 5.736 1.00 0.00 H new ATOM 0 HA TYR A 6 35.794 -11.360 7.681 1.00 0.00 H new ATOM 0 HB2 TYR A 6 38.323 -11.475 6.565 1.00 0.00 H new ATOM 0 HB3 TYR A 6 37.654 -10.104 5.704 1.00 0.00 H new ATOM 0 HD1 TYR A 6 36.485 -8.255 7.114 1.00 0.00 H new ATOM 0 HD2 TYR A 6 39.072 -11.240 8.801 1.00 0.00 H new ATOM 0 HE1 TYR A 6 36.821 -6.832 9.118 1.00 0.00 H new ATOM 0 HE2 TYR A 6 39.407 -9.819 10.806 1.00 0.00 H new ATOM 0 HH TYR A 6 38.920 -7.897 11.834 1.00 0.00 H new ATOM 108 N LEU A 7 34.820 -11.051 4.638 1.00 0.00 N ATOM 109 CA LEU A 7 33.869 -10.314 3.752 1.00 0.00 C ATOM 110 C LEU A 7 32.498 -10.165 4.430 1.00 0.00 C ATOM 111 O LEU A 7 31.669 -9.400 3.981 1.00 0.00 O ATOM 112 CB LEU A 7 33.699 -11.087 2.441 1.00 0.00 C ATOM 113 CG LEU A 7 32.842 -10.269 1.458 1.00 0.00 C ATOM 114 CD1 LEU A 7 33.647 -9.976 0.189 1.00 0.00 C ATOM 115 CD2 LEU A 7 31.584 -11.061 1.087 1.00 0.00 C ATOM 0 H LEU A 7 35.139 -11.949 4.274 1.00 0.00 H new ATOM 0 HA LEU A 7 34.273 -9.321 3.556 1.00 0.00 H new ATOM 0 HB2 LEU A 7 34.675 -11.294 2.001 1.00 0.00 H new ATOM 0 HB3 LEU A 7 33.226 -12.050 2.635 1.00 0.00 H new ATOM 0 HG LEU A 7 32.556 -9.330 1.932 1.00 0.00 H new ATOM 0 HD11 LEU A 7 33.036 -9.397 -0.504 1.00 0.00 H new ATOM 0 HD12 LEU A 7 34.540 -9.407 0.448 1.00 0.00 H new ATOM 0 HD13 LEU A 7 33.938 -10.915 -0.282 1.00 0.00 H new ATOM 0 HD21 LEU A 7 30.980 -10.479 0.391 1.00 0.00 H new ATOM 0 HD22 LEU A 7 31.872 -12.002 0.619 1.00 0.00 H new ATOM 0 HD23 LEU A 7 31.004 -11.266 1.987 1.00 0.00 H new ATOM 127 N SER A 8 32.242 -10.893 5.493 1.00 0.00 N ATOM 128 CA SER A 8 30.917 -10.791 6.180 1.00 0.00 C ATOM 129 C SER A 8 30.668 -9.350 6.638 1.00 0.00 C ATOM 130 O SER A 8 29.592 -8.809 6.454 1.00 0.00 O ATOM 131 CB SER A 8 30.905 -11.721 7.393 1.00 0.00 C ATOM 132 OG SER A 8 31.522 -12.953 7.042 1.00 0.00 O ATOM 0 H SER A 8 32.896 -11.554 5.913 1.00 0.00 H new ATOM 0 HA SER A 8 30.130 -11.081 5.484 1.00 0.00 H new ATOM 0 HB2 SER A 8 31.435 -11.259 8.226 1.00 0.00 H new ATOM 0 HB3 SER A 8 29.881 -11.894 7.724 1.00 0.00 H new ATOM 0 HG SER A 8 32.493 -12.874 7.146 1.00 0.00 H new ATOM 138 N ASP A 9 31.653 -8.728 7.229 1.00 0.00 N ATOM 139 CA ASP A 9 31.481 -7.320 7.699 1.00 0.00 C ATOM 140 C ASP A 9 31.230 -6.413 6.490 1.00 0.00 C ATOM 141 O ASP A 9 30.348 -5.572 6.504 1.00 0.00 O ATOM 142 CB ASP A 9 32.746 -6.866 8.431 1.00 0.00 C ATOM 143 CG ASP A 9 32.494 -5.510 9.093 1.00 0.00 C ATOM 144 OD1 ASP A 9 31.924 -5.496 10.171 1.00 0.00 O ATOM 145 OD2 ASP A 9 32.876 -4.510 8.509 1.00 0.00 O ATOM 0 H ASP A 9 32.572 -9.134 7.407 1.00 0.00 H new ATOM 0 HA ASP A 9 30.633 -7.262 8.381 1.00 0.00 H new ATOM 0 HB2 ASP A 9 33.028 -7.603 9.183 1.00 0.00 H new ATOM 0 HB3 ASP A 9 33.578 -6.792 7.730 1.00 0.00 H new ATOM 150 N ILE A 10 31.992 -6.589 5.439 1.00 0.00 N ATOM 151 CA ILE A 10 31.796 -5.753 4.219 1.00 0.00 C ATOM 152 C ILE A 10 30.395 -6.007 3.645 1.00 0.00 C ATOM 153 O ILE A 10 29.852 -5.182 2.936 1.00 0.00 O ATOM 154 CB ILE A 10 32.861 -6.116 3.174 1.00 0.00 C ATOM 155 CG1 ILE A 10 34.266 -5.945 3.778 1.00 0.00 C ATOM 156 CG2 ILE A 10 32.717 -5.208 1.947 1.00 0.00 C ATOM 157 CD1 ILE A 10 34.473 -4.498 4.248 1.00 0.00 C ATOM 0 H ILE A 10 32.742 -7.277 5.375 1.00 0.00 H new ATOM 0 HA ILE A 10 31.892 -4.699 4.478 1.00 0.00 H new ATOM 0 HB ILE A 10 32.722 -7.154 2.873 1.00 0.00 H new ATOM 0 HG12 ILE A 10 34.394 -6.629 4.617 1.00 0.00 H new ATOM 0 HG13 ILE A 10 35.022 -6.205 3.037 1.00 0.00 H new ATOM 0 HG21 ILE A 10 33.475 -5.470 1.209 1.00 0.00 H new ATOM 0 HG22 ILE A 10 31.726 -5.339 1.512 1.00 0.00 H new ATOM 0 HG23 ILE A 10 32.847 -4.168 2.247 1.00 0.00 H new ATOM 0 HD11 ILE A 10 35.471 -4.393 4.673 1.00 0.00 H new ATOM 0 HD12 ILE A 10 34.366 -3.821 3.400 1.00 0.00 H new ATOM 0 HD13 ILE A 10 33.729 -4.251 5.005 1.00 0.00 H new ATOM 169 N THR A 11 29.805 -7.138 3.952 1.00 0.00 N ATOM 170 CA THR A 11 28.440 -7.443 3.432 1.00 0.00 C ATOM 171 C THR A 11 27.431 -6.505 4.092 1.00 0.00 C ATOM 172 O THR A 11 26.543 -5.986 3.446 1.00 0.00 O ATOM 173 CB THR A 11 28.081 -8.894 3.762 1.00 0.00 C ATOM 174 OG1 THR A 11 29.195 -9.730 3.491 1.00 0.00 O ATOM 175 CG2 THR A 11 26.890 -9.339 2.911 1.00 0.00 C ATOM 0 H THR A 11 30.214 -7.863 4.542 1.00 0.00 H new ATOM 0 HA THR A 11 28.419 -7.303 2.351 1.00 0.00 H new ATOM 0 HB THR A 11 27.817 -8.968 4.817 1.00 0.00 H new ATOM 0 HG1 THR A 11 29.916 -9.529 4.124 1.00 0.00 H new ATOM 0 HG21 THR A 11 26.638 -10.372 3.149 1.00 0.00 H new ATOM 0 HG22 THR A 11 26.033 -8.699 3.121 1.00 0.00 H new ATOM 0 HG23 THR A 11 27.149 -9.263 1.855 1.00 0.00 H new ATOM 183 N ASP A 12 27.566 -6.281 5.376 1.00 0.00 N ATOM 184 CA ASP A 12 26.622 -5.369 6.086 1.00 0.00 C ATOM 185 C ASP A 12 26.760 -3.957 5.514 1.00 0.00 C ATOM 186 O ASP A 12 25.817 -3.188 5.498 1.00 0.00 O ATOM 187 CB ASP A 12 26.959 -5.342 7.578 1.00 0.00 C ATOM 188 CG ASP A 12 26.121 -6.388 8.314 1.00 0.00 C ATOM 189 OD1 ASP A 12 26.171 -7.542 7.920 1.00 0.00 O ATOM 190 OD2 ASP A 12 25.444 -6.019 9.260 1.00 0.00 O ATOM 0 H ASP A 12 28.292 -6.692 5.963 1.00 0.00 H new ATOM 0 HA ASP A 12 25.601 -5.726 5.950 1.00 0.00 H new ATOM 0 HB2 ASP A 12 28.020 -5.543 7.725 1.00 0.00 H new ATOM 0 HB3 ASP A 12 26.763 -4.351 7.987 1.00 0.00 H new ATOM 195 N VAL A 13 27.934 -3.614 5.052 1.00 0.00 N ATOM 196 CA VAL A 13 28.154 -2.253 4.484 1.00 0.00 C ATOM 197 C VAL A 13 27.538 -2.159 3.085 1.00 0.00 C ATOM 198 O VAL A 13 27.216 -1.083 2.619 1.00 0.00 O ATOM 199 CB VAL A 13 29.653 -1.979 4.404 1.00 0.00 C ATOM 200 CG1 VAL A 13 29.891 -0.537 3.951 1.00 0.00 C ATOM 201 CG2 VAL A 13 30.282 -2.192 5.783 1.00 0.00 C ATOM 0 H VAL A 13 28.753 -4.222 5.044 1.00 0.00 H new ATOM 0 HA VAL A 13 27.678 -1.514 5.128 1.00 0.00 H new ATOM 0 HB VAL A 13 30.108 -2.661 3.685 1.00 0.00 H new ATOM 0 HG11 VAL A 13 30.963 -0.345 3.895 1.00 0.00 H new ATOM 0 HG12 VAL A 13 29.444 -0.386 2.969 1.00 0.00 H new ATOM 0 HG13 VAL A 13 29.437 0.149 4.666 1.00 0.00 H new ATOM 0 HG21 VAL A 13 31.353 -1.997 5.728 1.00 0.00 H new ATOM 0 HG22 VAL A 13 29.825 -1.510 6.501 1.00 0.00 H new ATOM 0 HG23 VAL A 13 30.116 -3.221 6.103 1.00 0.00 H new ATOM 211 N ILE A 14 27.381 -3.270 2.410 1.00 0.00 N ATOM 212 CA ILE A 14 26.796 -3.244 1.038 1.00 0.00 C ATOM 213 C ILE A 14 25.264 -3.245 1.126 1.00 0.00 C ATOM 214 O ILE A 14 24.586 -2.698 0.275 1.00 0.00 O ATOM 215 CB ILE A 14 27.282 -4.473 0.262 1.00 0.00 C ATOM 216 CG1 ILE A 14 28.814 -4.492 0.251 1.00 0.00 C ATOM 217 CG2 ILE A 14 26.774 -4.411 -1.179 1.00 0.00 C ATOM 218 CD1 ILE A 14 29.315 -5.939 0.191 1.00 0.00 C ATOM 0 H ILE A 14 27.634 -4.197 2.753 1.00 0.00 H new ATOM 0 HA ILE A 14 27.115 -2.340 0.519 1.00 0.00 H new ATOM 0 HB ILE A 14 26.901 -5.374 0.743 1.00 0.00 H new ATOM 0 HG12 ILE A 14 29.188 -3.932 -0.607 1.00 0.00 H new ATOM 0 HG13 ILE A 14 29.199 -4.001 1.145 1.00 0.00 H new ATOM 0 HG21 ILE A 14 27.123 -5.287 -1.726 1.00 0.00 H new ATOM 0 HG22 ILE A 14 25.684 -4.393 -1.180 1.00 0.00 H new ATOM 0 HG23 ILE A 14 27.153 -3.509 -1.660 1.00 0.00 H new ATOM 0 HD11 ILE A 14 30.405 -5.947 0.183 1.00 0.00 H new ATOM 0 HD12 ILE A 14 28.954 -6.485 1.063 1.00 0.00 H new ATOM 0 HD13 ILE A 14 28.943 -6.416 -0.716 1.00 0.00 H new ATOM 230 N PHE A 15 24.718 -3.846 2.153 1.00 0.00 N ATOM 231 CA PHE A 15 23.237 -3.881 2.311 1.00 0.00 C ATOM 232 C PHE A 15 22.748 -2.479 2.674 1.00 0.00 C ATOM 233 O PHE A 15 21.710 -2.031 2.224 1.00 0.00 O ATOM 234 CB PHE A 15 22.881 -4.859 3.434 1.00 0.00 C ATOM 235 CG PHE A 15 21.616 -5.606 3.084 1.00 0.00 C ATOM 236 CD1 PHE A 15 21.630 -6.556 2.057 1.00 0.00 C ATOM 237 CD2 PHE A 15 20.431 -5.352 3.787 1.00 0.00 C ATOM 238 CE1 PHE A 15 20.461 -7.254 1.732 1.00 0.00 C ATOM 239 CE2 PHE A 15 19.261 -6.050 3.462 1.00 0.00 C ATOM 240 CZ PHE A 15 19.276 -7.001 2.434 1.00 0.00 C ATOM 0 H PHE A 15 25.240 -4.316 2.892 1.00 0.00 H new ATOM 0 HA PHE A 15 22.764 -4.205 1.384 1.00 0.00 H new ATOM 0 HB2 PHE A 15 23.699 -5.563 3.587 1.00 0.00 H new ATOM 0 HB3 PHE A 15 22.747 -4.318 4.370 1.00 0.00 H new ATOM 0 HD1 PHE A 15 22.543 -6.751 1.515 1.00 0.00 H new ATOM 0 HD2 PHE A 15 20.420 -4.618 4.579 1.00 0.00 H new ATOM 0 HE1 PHE A 15 20.473 -7.988 0.940 1.00 0.00 H new ATOM 0 HE2 PHE A 15 18.347 -5.855 4.004 1.00 0.00 H new ATOM 0 HZ PHE A 15 18.374 -7.539 2.183 1.00 0.00 H new ATOM 250 N ILE A 16 23.502 -1.789 3.487 1.00 0.00 N ATOM 251 CA ILE A 16 23.114 -0.412 3.900 1.00 0.00 C ATOM 252 C ILE A 16 23.404 0.557 2.750 1.00 0.00 C ATOM 253 O ILE A 16 22.700 1.521 2.535 1.00 0.00 O ATOM 254 CB ILE A 16 23.910 -0.037 5.169 1.00 0.00 C ATOM 255 CG1 ILE A 16 23.161 1.061 5.929 1.00 0.00 C ATOM 256 CG2 ILE A 16 25.335 0.444 4.839 1.00 0.00 C ATOM 257 CD1 ILE A 16 22.249 0.424 6.980 1.00 0.00 C ATOM 0 H ILE A 16 24.379 -2.125 3.886 1.00 0.00 H new ATOM 0 HA ILE A 16 22.049 -0.358 4.128 1.00 0.00 H new ATOM 0 HB ILE A 16 24.000 -0.933 5.784 1.00 0.00 H new ATOM 0 HG12 ILE A 16 23.871 1.735 6.409 1.00 0.00 H new ATOM 0 HG13 ILE A 16 22.571 1.660 5.236 1.00 0.00 H new ATOM 0 HG21 ILE A 16 25.857 0.696 5.762 1.00 0.00 H new ATOM 0 HG22 ILE A 16 25.876 -0.348 4.322 1.00 0.00 H new ATOM 0 HG23 ILE A 16 25.283 1.325 4.199 1.00 0.00 H new ATOM 0 HD11 ILE A 16 21.716 1.206 7.521 1.00 0.00 H new ATOM 0 HD12 ILE A 16 21.530 -0.232 6.489 1.00 0.00 H new ATOM 0 HD13 ILE A 16 22.850 -0.156 7.680 1.00 0.00 H new ATOM 269 N TYR A 17 24.452 0.293 2.022 1.00 0.00 N ATOM 270 CA TYR A 17 24.838 1.174 0.872 1.00 0.00 C ATOM 271 C TYR A 17 23.643 1.366 -0.075 1.00 0.00 C ATOM 272 O TYR A 17 23.355 2.466 -0.508 1.00 0.00 O ATOM 273 CB TYR A 17 25.996 0.517 0.105 1.00 0.00 C ATOM 274 CG TYR A 17 27.067 1.540 -0.198 1.00 0.00 C ATOM 275 CD1 TYR A 17 27.009 2.281 -1.384 1.00 0.00 C ATOM 276 CD2 TYR A 17 28.119 1.743 0.704 1.00 0.00 C ATOM 277 CE1 TYR A 17 28.003 3.224 -1.670 1.00 0.00 C ATOM 278 CE2 TYR A 17 29.113 2.687 0.418 1.00 0.00 C ATOM 279 CZ TYR A 17 29.055 3.427 -0.769 1.00 0.00 C ATOM 280 OH TYR A 17 30.035 4.357 -1.051 1.00 0.00 O ATOM 0 H TYR A 17 25.069 -0.505 2.173 1.00 0.00 H new ATOM 0 HA TYR A 17 25.146 2.148 1.253 1.00 0.00 H new ATOM 0 HB2 TYR A 17 26.417 -0.297 0.695 1.00 0.00 H new ATOM 0 HB3 TYR A 17 25.626 0.081 -0.823 1.00 0.00 H new ATOM 0 HD1 TYR A 17 26.197 2.125 -2.079 1.00 0.00 H new ATOM 0 HD2 TYR A 17 28.164 1.172 1.620 1.00 0.00 H new ATOM 0 HE1 TYR A 17 27.958 3.795 -2.586 1.00 0.00 H new ATOM 0 HE2 TYR A 17 29.924 2.844 1.113 1.00 0.00 H new ATOM 0 HH TYR A 17 30.690 4.374 -0.322 1.00 0.00 H new ATOM 290 N PHE A 18 22.956 0.300 -0.401 1.00 0.00 N ATOM 291 CA PHE A 18 21.786 0.409 -1.323 1.00 0.00 C ATOM 292 C PHE A 18 20.573 0.960 -0.563 1.00 0.00 C ATOM 293 O PHE A 18 19.718 1.613 -1.132 1.00 0.00 O ATOM 294 CB PHE A 18 21.457 -0.983 -1.886 1.00 0.00 C ATOM 295 CG PHE A 18 21.340 -0.915 -3.391 1.00 0.00 C ATOM 296 CD1 PHE A 18 22.477 -1.088 -4.189 1.00 0.00 C ATOM 297 CD2 PHE A 18 20.096 -0.678 -3.988 1.00 0.00 C ATOM 298 CE1 PHE A 18 22.371 -1.024 -5.583 1.00 0.00 C ATOM 299 CE2 PHE A 18 19.989 -0.614 -5.382 1.00 0.00 C ATOM 300 CZ PHE A 18 21.127 -0.786 -6.180 1.00 0.00 C ATOM 0 H PHE A 18 23.156 -0.643 -0.067 1.00 0.00 H new ATOM 0 HA PHE A 18 22.029 1.087 -2.141 1.00 0.00 H new ATOM 0 HB2 PHE A 18 22.236 -1.692 -1.605 1.00 0.00 H new ATOM 0 HB3 PHE A 18 20.524 -1.347 -1.456 1.00 0.00 H new ATOM 0 HD1 PHE A 18 23.437 -1.271 -3.729 1.00 0.00 H new ATOM 0 HD2 PHE A 18 19.219 -0.545 -3.373 1.00 0.00 H new ATOM 0 HE1 PHE A 18 23.248 -1.158 -6.198 1.00 0.00 H new ATOM 0 HE2 PHE A 18 19.029 -0.432 -5.842 1.00 0.00 H new ATOM 0 HZ PHE A 18 21.045 -0.735 -7.256 1.00 0.00 H new ATOM 310 N ALA A 19 20.491 0.694 0.716 1.00 0.00 N ATOM 311 CA ALA A 19 19.335 1.186 1.529 1.00 0.00 C ATOM 312 C ALA A 19 19.222 2.710 1.432 1.00 0.00 C ATOM 313 O ALA A 19 18.181 3.246 1.116 1.00 0.00 O ATOM 314 CB ALA A 19 19.554 0.805 2.993 1.00 0.00 C ATOM 0 H ALA A 19 21.181 0.153 1.237 1.00 0.00 H new ATOM 0 HA ALA A 19 18.420 0.733 1.147 1.00 0.00 H new ATOM 0 HB1 ALA A 19 18.715 1.161 3.591 1.00 0.00 H new ATOM 0 HB2 ALA A 19 19.628 -0.279 3.080 1.00 0.00 H new ATOM 0 HB3 ALA A 19 20.476 1.261 3.354 1.00 0.00 H new ATOM 320 N ALA A 20 20.288 3.398 1.727 1.00 0.00 N ATOM 321 CA ALA A 20 20.283 4.893 1.686 1.00 0.00 C ATOM 322 C ALA A 20 20.105 5.396 0.256 1.00 0.00 C ATOM 323 O ALA A 20 19.340 6.303 -0.008 1.00 0.00 O ATOM 324 CB ALA A 20 21.625 5.397 2.202 1.00 0.00 C ATOM 0 H ALA A 20 21.179 2.984 2.000 1.00 0.00 H new ATOM 0 HA ALA A 20 19.459 5.257 2.299 1.00 0.00 H new ATOM 0 HB1 ALA A 20 21.638 6.487 2.179 1.00 0.00 H new ATOM 0 HB2 ALA A 20 21.773 5.054 3.226 1.00 0.00 H new ATOM 0 HB3 ALA A 20 22.426 5.011 1.571 1.00 0.00 H new ATOM 330 N LEU A 21 20.845 4.838 -0.653 1.00 0.00 N ATOM 331 CA LEU A 21 20.773 5.287 -2.078 1.00 0.00 C ATOM 332 C LEU A 21 19.397 4.976 -2.695 1.00 0.00 C ATOM 333 O LEU A 21 19.068 5.482 -3.750 1.00 0.00 O ATOM 334 CB LEU A 21 21.860 4.572 -2.881 1.00 0.00 C ATOM 335 CG LEU A 21 23.170 5.356 -2.772 1.00 0.00 C ATOM 336 CD1 LEU A 21 24.356 4.392 -2.845 1.00 0.00 C ATOM 337 CD2 LEU A 21 23.261 6.360 -3.924 1.00 0.00 C ATOM 0 H LEU A 21 21.506 4.082 -0.475 1.00 0.00 H new ATOM 0 HA LEU A 21 20.923 6.366 -2.108 1.00 0.00 H new ATOM 0 HB2 LEU A 21 21.998 3.558 -2.505 1.00 0.00 H new ATOM 0 HB3 LEU A 21 21.560 4.487 -3.925 1.00 0.00 H new ATOM 0 HG LEU A 21 23.193 5.887 -1.820 1.00 0.00 H new ATOM 0 HD11 LEU A 21 25.287 4.954 -2.767 1.00 0.00 H new ATOM 0 HD12 LEU A 21 24.294 3.676 -2.025 1.00 0.00 H new ATOM 0 HD13 LEU A 21 24.333 3.858 -3.795 1.00 0.00 H new ATOM 0 HD21 LEU A 21 24.194 6.919 -3.847 1.00 0.00 H new ATOM 0 HD22 LEU A 21 23.235 5.827 -4.874 1.00 0.00 H new ATOM 0 HD23 LEU A 21 22.419 7.050 -3.872 1.00 0.00 H new ATOM 349 N SER A 22 18.597 4.149 -2.064 1.00 0.00 N ATOM 350 CA SER A 22 17.253 3.815 -2.641 1.00 0.00 C ATOM 351 C SER A 22 16.340 5.061 -2.619 1.00 0.00 C ATOM 352 O SER A 22 15.910 5.514 -3.661 1.00 0.00 O ATOM 353 CB SER A 22 16.625 2.664 -1.839 1.00 0.00 C ATOM 354 OG SER A 22 15.204 2.738 -1.905 1.00 0.00 O ATOM 0 H SER A 22 18.814 3.692 -1.178 1.00 0.00 H new ATOM 0 HA SER A 22 17.370 3.499 -3.678 1.00 0.00 H new ATOM 0 HB2 SER A 22 16.966 1.707 -2.234 1.00 0.00 H new ATOM 0 HB3 SER A 22 16.951 2.714 -0.800 1.00 0.00 H new ATOM 0 HG SER A 22 14.814 2.000 -1.392 1.00 0.00 H new ATOM 360 N PRO A 23 16.070 5.586 -1.442 1.00 0.00 N ATOM 361 CA PRO A 23 15.205 6.805 -1.212 1.00 0.00 C ATOM 362 C PRO A 23 15.895 8.059 -1.737 1.00 0.00 C ATOM 363 O PRO A 23 15.354 8.790 -2.537 1.00 0.00 O ATOM 364 CB PRO A 23 15.019 6.911 0.292 1.00 0.00 C ATOM 365 CG PRO A 23 16.170 6.168 0.913 1.00 0.00 C ATOM 366 CD PRO A 23 16.559 5.099 -0.097 1.00 0.00 C ATOM 0 HA PRO A 23 14.252 6.714 -1.733 1.00 0.00 H new ATOM 0 HB2 PRO A 23 15.012 7.953 0.610 1.00 0.00 H new ATOM 0 HB3 PRO A 23 14.066 6.478 0.597 1.00 0.00 H new ATOM 0 HG2 PRO A 23 17.005 6.838 1.116 1.00 0.00 H new ATOM 0 HG3 PRO A 23 15.881 5.722 1.865 1.00 0.00 H new ATOM 0 HD2 PRO A 23 17.639 4.949 -0.107 1.00 0.00 H new ATOM 0 HD3 PRO A 23 16.106 4.141 0.157 1.00 0.00 H new ATOM 374 N ALA A 24 17.082 8.312 -1.266 1.00 0.00 N ATOM 375 CA ALA A 24 17.853 9.530 -1.697 1.00 0.00 C ATOM 376 C ALA A 24 17.812 9.702 -3.225 1.00 0.00 C ATOM 377 O ALA A 24 17.890 10.804 -3.736 1.00 0.00 O ATOM 378 CB ALA A 24 19.310 9.388 -1.247 1.00 0.00 C ATOM 0 H ALA A 24 17.566 7.722 -0.589 1.00 0.00 H new ATOM 0 HA ALA A 24 17.396 10.407 -1.239 1.00 0.00 H new ATOM 0 HB1 ALA A 24 19.874 10.268 -1.557 1.00 0.00 H new ATOM 0 HB2 ALA A 24 19.348 9.296 -0.162 1.00 0.00 H new ATOM 0 HB3 ALA A 24 19.746 8.499 -1.702 1.00 0.00 H new ATOM 384 N ILE A 25 17.685 8.620 -3.950 1.00 0.00 N ATOM 385 CA ILE A 25 17.634 8.709 -5.439 1.00 0.00 C ATOM 386 C ILE A 25 16.203 9.079 -5.875 1.00 0.00 C ATOM 387 O ILE A 25 16.011 9.889 -6.763 1.00 0.00 O ATOM 388 CB ILE A 25 18.072 7.351 -6.035 1.00 0.00 C ATOM 389 CG1 ILE A 25 19.595 7.201 -5.876 1.00 0.00 C ATOM 390 CG2 ILE A 25 17.708 7.251 -7.528 1.00 0.00 C ATOM 391 CD1 ILE A 25 20.330 8.307 -6.649 1.00 0.00 C ATOM 0 H ILE A 25 17.614 7.675 -3.572 1.00 0.00 H new ATOM 0 HA ILE A 25 18.311 9.482 -5.804 1.00 0.00 H new ATOM 0 HB ILE A 25 17.550 6.557 -5.501 1.00 0.00 H new ATOM 0 HG12 ILE A 25 19.862 7.248 -4.820 1.00 0.00 H new ATOM 0 HG13 ILE A 25 19.910 6.223 -6.241 1.00 0.00 H new ATOM 0 HG21 ILE A 25 18.029 6.285 -7.917 1.00 0.00 H new ATOM 0 HG22 ILE A 25 16.629 7.349 -7.647 1.00 0.00 H new ATOM 0 HG23 ILE A 25 18.208 8.048 -8.079 1.00 0.00 H new ATOM 0 HD11 ILE A 25 21.406 8.184 -6.525 1.00 0.00 H new ATOM 0 HD12 ILE A 25 20.077 8.241 -7.707 1.00 0.00 H new ATOM 0 HD13 ILE A 25 20.029 9.281 -6.264 1.00 0.00 H new ATOM 403 N THR A 26 15.207 8.492 -5.260 1.00 0.00 N ATOM 404 CA THR A 26 13.796 8.807 -5.639 1.00 0.00 C ATOM 405 C THR A 26 13.429 10.212 -5.152 1.00 0.00 C ATOM 406 O THR A 26 13.251 11.123 -5.938 1.00 0.00 O ATOM 407 CB THR A 26 12.856 7.780 -4.999 1.00 0.00 C ATOM 408 OG1 THR A 26 13.280 6.470 -5.348 1.00 0.00 O ATOM 409 CG2 THR A 26 11.430 8.007 -5.502 1.00 0.00 C ATOM 0 H THR A 26 15.311 7.807 -4.511 1.00 0.00 H new ATOM 0 HA THR A 26 13.696 8.767 -6.724 1.00 0.00 H new ATOM 0 HB THR A 26 12.879 7.893 -3.915 1.00 0.00 H new ATOM 0 HG1 THR A 26 14.060 6.224 -4.808 1.00 0.00 H new ATOM 0 HG21 THR A 26 10.763 7.276 -5.046 1.00 0.00 H new ATOM 0 HG22 THR A 26 11.105 9.012 -5.233 1.00 0.00 H new ATOM 0 HG23 THR A 26 11.404 7.895 -6.586 1.00 0.00 H new ATOM 417 N PHE A 27 13.311 10.394 -3.858 1.00 0.00 N ATOM 418 CA PHE A 27 12.949 11.737 -3.298 1.00 0.00 C ATOM 419 C PHE A 27 13.862 12.827 -3.876 1.00 0.00 C ATOM 420 O PHE A 27 14.924 12.548 -4.399 1.00 0.00 O ATOM 421 CB PHE A 27 13.112 11.705 -1.776 1.00 0.00 C ATOM 422 CG PHE A 27 11.898 11.066 -1.145 1.00 0.00 C ATOM 423 CD1 PHE A 27 11.776 9.671 -1.116 1.00 0.00 C ATOM 424 CD2 PHE A 27 10.897 11.868 -0.584 1.00 0.00 C ATOM 425 CE1 PHE A 27 10.653 9.079 -0.526 1.00 0.00 C ATOM 426 CE2 PHE A 27 9.775 11.275 0.007 1.00 0.00 C ATOM 427 CZ PHE A 27 9.653 9.881 0.036 1.00 0.00 C ATOM 0 H PHE A 27 13.451 9.664 -3.160 1.00 0.00 H new ATOM 0 HA PHE A 27 11.917 11.963 -3.565 1.00 0.00 H new ATOM 0 HB2 PHE A 27 14.009 11.146 -1.509 1.00 0.00 H new ATOM 0 HB3 PHE A 27 13.242 12.717 -1.394 1.00 0.00 H new ATOM 0 HD1 PHE A 27 12.548 9.052 -1.549 1.00 0.00 H new ATOM 0 HD2 PHE A 27 10.990 12.944 -0.607 1.00 0.00 H new ATOM 0 HE1 PHE A 27 10.558 8.003 -0.504 1.00 0.00 H new ATOM 0 HE2 PHE A 27 9.003 11.893 0.441 1.00 0.00 H new ATOM 0 HZ PHE A 27 8.787 9.424 0.492 1.00 0.00 H new ATOM 437 N GLY A 28 13.448 14.066 -3.784 1.00 0.00 N ATOM 438 CA GLY A 28 14.275 15.184 -4.324 1.00 0.00 C ATOM 439 C GLY A 28 15.285 15.635 -3.267 1.00 0.00 C ATOM 440 O GLY A 28 15.992 14.831 -2.689 1.00 0.00 O ATOM 0 H GLY A 28 12.567 14.351 -3.355 1.00 0.00 H new ATOM 0 HA2 GLY A 28 14.797 14.861 -5.225 1.00 0.00 H new ATOM 0 HA3 GLY A 28 13.634 16.019 -4.608 1.00 0.00 H new ATOM 444 N GLY A 29 15.357 16.917 -3.013 1.00 0.00 N ATOM 445 CA GLY A 29 16.321 17.432 -1.995 1.00 0.00 C ATOM 446 C GLY A 29 17.750 17.167 -2.469 1.00 0.00 C ATOM 447 O GLY A 29 18.616 16.817 -1.690 1.00 0.00 O ATOM 0 H GLY A 29 14.788 17.631 -3.468 1.00 0.00 H new ATOM 0 HA2 GLY A 29 16.169 18.500 -1.842 1.00 0.00 H new ATOM 0 HA3 GLY A 29 16.148 16.945 -1.035 1.00 0.00 H new ATOM 451 N LEU A 30 17.997 17.329 -3.743 1.00 0.00 N ATOM 452 CA LEU A 30 19.366 17.086 -4.282 1.00 0.00 C ATOM 453 C LEU A 30 20.348 18.089 -3.674 1.00 0.00 C ATOM 454 O LEU A 30 20.255 19.280 -3.905 1.00 0.00 O ATOM 455 CB LEU A 30 19.348 17.247 -5.803 1.00 0.00 C ATOM 456 CG LEU A 30 20.689 16.788 -6.378 1.00 0.00 C ATOM 457 CD1 LEU A 30 20.585 15.323 -6.806 1.00 0.00 C ATOM 458 CD2 LEU A 30 21.046 17.650 -7.591 1.00 0.00 C ATOM 0 H LEU A 30 17.306 17.620 -4.435 1.00 0.00 H new ATOM 0 HA LEU A 30 19.681 16.075 -4.024 1.00 0.00 H new ATOM 0 HB2 LEU A 30 18.536 16.660 -6.232 1.00 0.00 H new ATOM 0 HB3 LEU A 30 19.164 18.288 -6.067 1.00 0.00 H new ATOM 0 HG LEU A 30 21.464 16.891 -5.619 1.00 0.00 H new ATOM 0 HD11 LEU A 30 21.540 14.995 -7.216 1.00 0.00 H new ATOM 0 HD12 LEU A 30 20.331 14.709 -5.942 1.00 0.00 H new ATOM 0 HD13 LEU A 30 19.810 15.220 -7.565 1.00 0.00 H new ATOM 0 HD21 LEU A 30 22.002 17.323 -8.001 1.00 0.00 H new ATOM 0 HD22 LEU A 30 20.271 17.548 -8.351 1.00 0.00 H new ATOM 0 HD23 LEU A 30 21.120 18.694 -7.286 1.00 0.00 H new ATOM 470 N LEU A 31 21.290 17.611 -2.900 1.00 0.00 N ATOM 471 CA LEU A 31 22.289 18.525 -2.273 1.00 0.00 C ATOM 472 C LEU A 31 23.451 18.747 -3.247 1.00 0.00 C ATOM 473 O LEU A 31 23.974 19.841 -3.364 1.00 0.00 O ATOM 474 CB LEU A 31 22.813 17.890 -0.973 1.00 0.00 C ATOM 475 CG LEU A 31 22.408 18.751 0.228 1.00 0.00 C ATOM 476 CD1 LEU A 31 22.829 18.055 1.523 1.00 0.00 C ATOM 477 CD2 LEU A 31 23.101 20.113 0.135 1.00 0.00 C ATOM 0 H LEU A 31 21.409 16.623 -2.676 1.00 0.00 H new ATOM 0 HA LEU A 31 21.822 19.483 -2.043 1.00 0.00 H new ATOM 0 HB2 LEU A 31 22.411 16.883 -0.862 1.00 0.00 H new ATOM 0 HB3 LEU A 31 23.898 17.797 -1.015 1.00 0.00 H new ATOM 0 HG LEU A 31 21.327 18.890 0.226 1.00 0.00 H new ATOM 0 HD11 LEU A 31 22.540 18.669 2.376 1.00 0.00 H new ATOM 0 HD12 LEU A 31 22.337 17.085 1.591 1.00 0.00 H new ATOM 0 HD13 LEU A 31 23.910 17.915 1.526 1.00 0.00 H new ATOM 0 HD21 LEU A 31 22.814 20.727 0.989 1.00 0.00 H new ATOM 0 HD22 LEU A 31 24.182 19.972 0.137 1.00 0.00 H new ATOM 0 HD23 LEU A 31 22.802 20.611 -0.787 1.00 0.00 H new ATOM 489 N GLY A 32 23.858 17.715 -3.943 1.00 0.00 N ATOM 490 CA GLY A 32 24.987 17.855 -4.912 1.00 0.00 C ATOM 491 C GLY A 32 24.977 16.679 -5.890 1.00 0.00 C ATOM 492 O GLY A 32 24.413 15.636 -5.614 1.00 0.00 O ATOM 0 H GLY A 32 23.456 16.780 -3.881 1.00 0.00 H new ATOM 0 HA2 GLY A 32 24.896 18.794 -5.457 1.00 0.00 H new ATOM 0 HA3 GLY A 32 25.936 17.887 -4.377 1.00 0.00 H new ATOM 496 N GLU A 33 25.597 16.842 -7.031 1.00 0.00 N ATOM 497 CA GLU A 33 25.631 15.741 -8.037 1.00 0.00 C ATOM 498 C GLU A 33 26.667 14.696 -7.616 1.00 0.00 C ATOM 499 O GLU A 33 26.482 13.510 -7.819 1.00 0.00 O ATOM 500 CB GLU A 33 26.010 16.312 -9.406 1.00 0.00 C ATOM 501 CG GLU A 33 24.850 17.150 -9.960 1.00 0.00 C ATOM 502 CD GLU A 33 25.388 18.464 -10.531 1.00 0.00 C ATOM 503 OE1 GLU A 33 25.760 18.474 -11.693 1.00 0.00 O ATOM 504 OE2 GLU A 33 25.420 19.437 -9.796 1.00 0.00 O ATOM 0 H GLU A 33 26.083 17.695 -7.309 1.00 0.00 H new ATOM 0 HA GLU A 33 24.648 15.274 -8.097 1.00 0.00 H new ATOM 0 HB2 GLU A 33 26.905 16.927 -9.318 1.00 0.00 H new ATOM 0 HB3 GLU A 33 26.247 15.501 -10.095 1.00 0.00 H new ATOM 0 HG2 GLU A 33 24.325 16.593 -10.736 1.00 0.00 H new ATOM 0 HG3 GLU A 33 24.127 17.355 -9.170 1.00 0.00 H new ATOM 511 N LYS A 34 27.756 15.129 -7.031 1.00 0.00 N ATOM 512 CA LYS A 34 28.810 14.171 -6.593 1.00 0.00 C ATOM 513 C LYS A 34 29.137 14.409 -5.117 1.00 0.00 C ATOM 514 O LYS A 34 29.889 15.328 -4.837 1.00 0.00 O ATOM 515 CB LYS A 34 30.073 14.376 -7.432 1.00 0.00 C ATOM 516 CG LYS A 34 30.963 13.137 -7.320 1.00 0.00 C ATOM 517 CD LYS A 34 31.973 13.332 -6.186 1.00 0.00 C ATOM 518 CE LYS A 34 32.883 12.105 -6.091 1.00 0.00 C ATOM 519 NZ LYS A 34 33.163 11.806 -4.659 1.00 0.00 N ATOM 520 OXT LYS A 34 28.631 13.666 -4.292 1.00 0.00 O ATOM 0 H LYS A 34 27.959 16.110 -6.838 1.00 0.00 H new ATOM 0 HA LYS A 34 28.447 13.152 -6.727 1.00 0.00 H new ATOM 0 HB2 LYS A 34 29.806 14.553 -8.474 1.00 0.00 H new ATOM 0 HB3 LYS A 34 30.613 15.258 -7.087 1.00 0.00 H new ATOM 0 HG2 LYS A 34 30.353 12.254 -7.129 1.00 0.00 H new ATOM 0 HG3 LYS A 34 31.486 12.966 -8.261 1.00 0.00 H new ATOM 0 HD2 LYS A 34 32.569 14.226 -6.367 1.00 0.00 H new ATOM 0 HD3 LYS A 34 31.450 13.483 -5.242 1.00 0.00 H new ATOM 0 HE2 LYS A 34 32.407 11.248 -6.566 1.00 0.00 H new ATOM 0 HE3 LYS A 34 33.816 12.288 -6.625 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 33.781 10.972 -4.593 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 33.634 12.622 -4.220 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 32.269 11.614 -4.163 1.00 0.00 H new TER 534 LYS A 34