USER MOD reduce.3.24.130724 H: found=0, std=0, add=265, rem=0, adj=9 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 180:sc= 0 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 180:sc= 0 USER MOD Single : A 11 THR OG1 : rot 180:sc= 0.0419 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 83:sc= 0.784 USER MOD Single : A 34 LYS NZ :NH3+ -157:sc= -0.133 (180deg=-0.97) USER MOD ----------------------------------------------------------------- HETATM 1 C ACE A 1 1.343 -3.366 -1.467 1.00 0.00 C HETATM 2 O ACE A 1 0.379 -3.545 -2.188 1.00 0.00 O HETATM 3 CH3 ACE A 1 1.460 -4.071 -0.114 1.00 0.00 C HETATM 0 H1 ACE A 1 2.358 -4.688 -0.102 1.00 0.00 H new HETATM 0 H2 ACE A 1 1.520 -3.327 0.680 1.00 0.00 H new HETATM 0 H3 ACE A 1 0.585 -4.701 0.045 1.00 0.00 H new ATOM 7 N ARG A 2 2.318 -2.565 -1.812 1.00 0.00 N ATOM 8 CA ARG A 2 2.277 -1.841 -3.112 1.00 0.00 C ATOM 9 C ARG A 2 3.615 -2.012 -3.830 1.00 0.00 C ATOM 10 O ARG A 2 3.673 -2.491 -4.945 1.00 0.00 O ATOM 11 CB ARG A 2 2.009 -0.351 -2.858 1.00 0.00 C ATOM 12 CG ARG A 2 1.034 0.187 -3.912 1.00 0.00 C ATOM 13 CD ARG A 2 0.046 1.153 -3.253 1.00 0.00 C ATOM 14 NE ARG A 2 0.786 2.317 -2.687 1.00 0.00 N ATOM 15 CZ ARG A 2 0.362 2.888 -1.593 1.00 0.00 C ATOM 16 NH1 ARG A 2 -0.889 3.240 -1.485 1.00 0.00 N ATOM 17 NH2 ARG A 2 1.190 3.111 -0.609 1.00 0.00 N ATOM 0 H ARG A 2 3.145 -2.382 -1.243 1.00 0.00 H new ATOM 0 HA ARG A 2 1.480 -2.248 -3.734 1.00 0.00 H new ATOM 0 HB2 ARG A 2 1.594 -0.212 -1.860 1.00 0.00 H new ATOM 0 HB3 ARG A 2 2.944 0.208 -2.895 1.00 0.00 H new ATOM 0 HG2 ARG A 2 1.583 0.697 -4.703 1.00 0.00 H new ATOM 0 HG3 ARG A 2 0.495 -0.638 -4.378 1.00 0.00 H new ATOM 0 HD2 ARG A 2 -0.686 1.495 -3.984 1.00 0.00 H new ATOM 0 HD3 ARG A 2 -0.506 0.642 -2.464 1.00 0.00 H new ATOM 0 HE ARG A 2 1.623 2.667 -3.154 1.00 0.00 H new ATOM 0 HH11 ARG A 2 -1.535 3.069 -2.255 1.00 0.00 H new ATOM 0 HH12 ARG A 2 -1.221 3.686 -0.630 1.00 0.00 H new ATOM 0 HH21 ARG A 2 2.169 2.839 -0.695 1.00 0.00 H new ATOM 0 HH22 ARG A 2 0.858 3.557 0.246 1.00 0.00 H new ATOM 31 N TYR A 3 4.688 -1.626 -3.193 1.00 0.00 N ATOM 32 CA TYR A 3 6.033 -1.761 -3.819 1.00 0.00 C ATOM 33 C TYR A 3 7.067 -2.098 -2.725 1.00 0.00 C ATOM 34 O TYR A 3 7.816 -1.241 -2.300 1.00 0.00 O ATOM 35 CB TYR A 3 6.402 -0.444 -4.523 1.00 0.00 C ATOM 36 CG TYR A 3 6.890 -0.726 -5.928 1.00 0.00 C ATOM 37 CD1 TYR A 3 6.101 -1.477 -6.809 1.00 0.00 C ATOM 38 CD2 TYR A 3 8.133 -0.236 -6.349 1.00 0.00 C ATOM 39 CE1 TYR A 3 6.553 -1.737 -8.108 1.00 0.00 C ATOM 40 CE2 TYR A 3 8.586 -0.498 -7.648 1.00 0.00 C ATOM 41 CZ TYR A 3 7.796 -1.248 -8.528 1.00 0.00 C ATOM 42 OH TYR A 3 8.243 -1.507 -9.808 1.00 0.00 O ATOM 0 H TYR A 3 4.689 -1.219 -2.258 1.00 0.00 H new ATOM 0 HA TYR A 3 6.025 -2.562 -4.558 1.00 0.00 H new ATOM 0 HB2 TYR A 3 5.535 0.215 -4.556 1.00 0.00 H new ATOM 0 HB3 TYR A 3 7.176 0.075 -3.958 1.00 0.00 H new ATOM 0 HD1 TYR A 3 5.143 -1.856 -6.485 1.00 0.00 H new ATOM 0 HD2 TYR A 3 8.742 0.344 -5.672 1.00 0.00 H new ATOM 0 HE1 TYR A 3 5.943 -2.315 -8.786 1.00 0.00 H new ATOM 0 HE2 TYR A 3 9.545 -0.121 -7.971 1.00 0.00 H new ATOM 0 HH TYR A 3 9.123 -1.095 -9.937 1.00 0.00 H new ATOM 52 N PRO A 4 7.070 -3.345 -2.295 1.00 0.00 N ATOM 53 CA PRO A 4 7.980 -3.909 -1.230 1.00 0.00 C ATOM 54 C PRO A 4 9.341 -4.259 -1.821 1.00 0.00 C ATOM 55 O PRO A 4 10.376 -3.881 -1.313 1.00 0.00 O ATOM 56 CB PRO A 4 7.309 -5.179 -0.744 1.00 0.00 C ATOM 57 CG PRO A 4 6.416 -5.658 -1.862 1.00 0.00 C ATOM 58 CD PRO A 4 6.167 -4.462 -2.776 1.00 0.00 C ATOM 0 HA PRO A 4 8.138 -3.188 -0.428 1.00 0.00 H new ATOM 0 HB2 PRO A 4 8.052 -5.936 -0.492 1.00 0.00 H new ATOM 0 HB3 PRO A 4 6.729 -4.988 0.159 1.00 0.00 H new ATOM 0 HG2 PRO A 4 6.889 -6.472 -2.412 1.00 0.00 H new ATOM 0 HG3 PRO A 4 5.476 -6.044 -1.467 1.00 0.00 H new ATOM 0 HD2 PRO A 4 6.386 -4.716 -3.813 1.00 0.00 H new ATOM 0 HD3 PRO A 4 5.121 -4.157 -2.737 1.00 0.00 H new ATOM 66 N TYR A 5 9.328 -5.006 -2.883 1.00 0.00 N ATOM 67 CA TYR A 5 10.603 -5.437 -3.550 1.00 0.00 C ATOM 68 C TYR A 5 11.538 -4.240 -3.796 1.00 0.00 C ATOM 69 O TYR A 5 12.736 -4.405 -3.928 1.00 0.00 O ATOM 70 CB TYR A 5 10.271 -6.094 -4.892 1.00 0.00 C ATOM 71 CG TYR A 5 11.513 -6.741 -5.457 1.00 0.00 C ATOM 72 CD1 TYR A 5 12.186 -7.721 -4.719 1.00 0.00 C ATOM 73 CD2 TYR A 5 11.989 -6.362 -6.718 1.00 0.00 C ATOM 74 CE1 TYR A 5 13.337 -8.323 -5.242 1.00 0.00 C ATOM 75 CE2 TYR A 5 13.140 -6.964 -7.241 1.00 0.00 C ATOM 76 CZ TYR A 5 13.815 -7.945 -6.503 1.00 0.00 C ATOM 77 OH TYR A 5 14.949 -8.538 -7.018 1.00 0.00 O ATOM 0 H TYR A 5 8.478 -5.347 -3.332 1.00 0.00 H new ATOM 0 HA TYR A 5 11.111 -6.142 -2.892 1.00 0.00 H new ATOM 0 HB2 TYR A 5 9.487 -6.840 -4.760 1.00 0.00 H new ATOM 0 HB3 TYR A 5 9.887 -5.349 -5.589 1.00 0.00 H new ATOM 0 HD1 TYR A 5 11.818 -8.013 -3.747 1.00 0.00 H new ATOM 0 HD2 TYR A 5 11.469 -5.606 -7.287 1.00 0.00 H new ATOM 0 HE1 TYR A 5 13.857 -9.079 -4.673 1.00 0.00 H new ATOM 0 HE2 TYR A 5 13.508 -6.672 -8.214 1.00 0.00 H new ATOM 0 HH TYR A 5 15.142 -8.162 -7.902 1.00 0.00 H new ATOM 87 N TYR A 6 11.005 -3.044 -3.871 1.00 0.00 N ATOM 88 CA TYR A 6 11.870 -1.848 -4.121 1.00 0.00 C ATOM 89 C TYR A 6 12.622 -1.463 -2.844 1.00 0.00 C ATOM 90 O TYR A 6 13.775 -1.084 -2.883 1.00 0.00 O ATOM 91 CB TYR A 6 10.997 -0.675 -4.564 1.00 0.00 C ATOM 92 CG TYR A 6 11.802 0.239 -5.454 1.00 0.00 C ATOM 93 CD1 TYR A 6 11.972 -0.075 -6.807 1.00 0.00 C ATOM 94 CD2 TYR A 6 12.382 1.399 -4.925 1.00 0.00 C ATOM 95 CE1 TYR A 6 12.721 0.771 -7.632 1.00 0.00 C ATOM 96 CE2 TYR A 6 13.131 2.245 -5.751 1.00 0.00 C ATOM 97 CZ TYR A 6 13.301 1.931 -7.104 1.00 0.00 C ATOM 98 OH TYR A 6 14.039 2.764 -7.919 1.00 0.00 O ATOM 0 H TYR A 6 10.010 -2.845 -3.770 1.00 0.00 H new ATOM 0 HA TYR A 6 12.592 -2.090 -4.901 1.00 0.00 H new ATOM 0 HB2 TYR A 6 10.120 -1.041 -5.098 1.00 0.00 H new ATOM 0 HB3 TYR A 6 10.635 -0.127 -3.694 1.00 0.00 H new ATOM 0 HD1 TYR A 6 11.525 -0.970 -7.214 1.00 0.00 H new ATOM 0 HD2 TYR A 6 12.251 1.640 -3.880 1.00 0.00 H new ATOM 0 HE1 TYR A 6 12.852 0.529 -8.676 1.00 0.00 H new ATOM 0 HE2 TYR A 6 13.578 3.140 -5.344 1.00 0.00 H new ATOM 0 HH TYR A 6 14.370 3.524 -7.396 1.00 0.00 H new ATOM 108 N LEU A 7 11.968 -1.540 -1.718 1.00 0.00 N ATOM 109 CA LEU A 7 12.622 -1.166 -0.426 1.00 0.00 C ATOM 110 C LEU A 7 13.913 -1.976 -0.209 1.00 0.00 C ATOM 111 O LEU A 7 14.969 -1.420 0.029 1.00 0.00 O ATOM 112 CB LEU A 7 11.645 -1.448 0.725 1.00 0.00 C ATOM 113 CG LEU A 7 10.994 -0.141 1.187 1.00 0.00 C ATOM 114 CD1 LEU A 7 9.697 0.088 0.408 1.00 0.00 C ATOM 115 CD2 LEU A 7 10.679 -0.232 2.682 1.00 0.00 C ATOM 0 H LEU A 7 10.999 -1.849 -1.634 1.00 0.00 H new ATOM 0 HA LEU A 7 12.881 -0.108 -0.455 1.00 0.00 H new ATOM 0 HB2 LEU A 7 10.878 -2.151 0.399 1.00 0.00 H new ATOM 0 HB3 LEU A 7 12.173 -1.915 1.556 1.00 0.00 H new ATOM 0 HG LEU A 7 11.677 0.689 1.006 1.00 0.00 H new ATOM 0 HD11 LEU A 7 9.234 1.018 0.737 1.00 0.00 H new ATOM 0 HD12 LEU A 7 9.919 0.150 -0.657 1.00 0.00 H new ATOM 0 HD13 LEU A 7 9.013 -0.741 0.588 1.00 0.00 H new ATOM 0 HD21 LEU A 7 10.216 0.697 3.013 1.00 0.00 H new ATOM 0 HD22 LEU A 7 9.995 -1.062 2.860 1.00 0.00 H new ATOM 0 HD23 LEU A 7 11.602 -0.396 3.239 1.00 0.00 H new ATOM 127 N SER A 8 13.827 -3.281 -0.261 1.00 0.00 N ATOM 128 CA SER A 8 15.035 -4.136 -0.029 1.00 0.00 C ATOM 129 C SER A 8 16.151 -3.815 -1.032 1.00 0.00 C ATOM 130 O SER A 8 17.300 -4.147 -0.806 1.00 0.00 O ATOM 131 CB SER A 8 14.649 -5.607 -0.175 1.00 0.00 C ATOM 132 OG SER A 8 13.890 -6.012 0.956 1.00 0.00 O ATOM 0 H SER A 8 12.968 -3.795 -0.455 1.00 0.00 H new ATOM 0 HA SER A 8 15.404 -3.933 0.976 1.00 0.00 H new ATOM 0 HB2 SER A 8 14.070 -5.753 -1.087 1.00 0.00 H new ATOM 0 HB3 SER A 8 15.545 -6.222 -0.265 1.00 0.00 H new ATOM 0 HG SER A 8 13.641 -6.955 0.862 1.00 0.00 H new ATOM 138 N ASP A 9 15.830 -3.198 -2.142 1.00 0.00 N ATOM 139 CA ASP A 9 16.884 -2.889 -3.160 1.00 0.00 C ATOM 140 C ASP A 9 17.877 -1.859 -2.616 1.00 0.00 C ATOM 141 O ASP A 9 19.067 -2.102 -2.571 1.00 0.00 O ATOM 142 CB ASP A 9 16.230 -2.339 -4.429 1.00 0.00 C ATOM 143 CG ASP A 9 15.528 -3.474 -5.173 1.00 0.00 C ATOM 144 OD1 ASP A 9 16.101 -4.548 -5.250 1.00 0.00 O ATOM 145 OD2 ASP A 9 14.429 -3.251 -5.652 1.00 0.00 O ATOM 0 H ASP A 9 14.887 -2.895 -2.388 1.00 0.00 H new ATOM 0 HA ASP A 9 17.421 -3.809 -3.389 1.00 0.00 H new ATOM 0 HB2 ASP A 9 15.513 -1.559 -4.173 1.00 0.00 H new ATOM 0 HB3 ASP A 9 16.983 -1.881 -5.070 1.00 0.00 H new ATOM 150 N ILE A 10 17.400 -0.706 -2.220 1.00 0.00 N ATOM 151 CA ILE A 10 18.316 0.354 -1.698 1.00 0.00 C ATOM 152 C ILE A 10 19.074 -0.160 -0.468 1.00 0.00 C ATOM 153 O ILE A 10 20.270 0.021 -0.340 1.00 0.00 O ATOM 154 CB ILE A 10 17.488 1.609 -1.356 1.00 0.00 C ATOM 155 CG1 ILE A 10 18.426 2.812 -1.224 1.00 0.00 C ATOM 156 CG2 ILE A 10 16.690 1.431 -0.054 1.00 0.00 C ATOM 157 CD1 ILE A 10 17.714 4.070 -1.725 1.00 0.00 C ATOM 0 H ILE A 10 16.412 -0.452 -2.236 1.00 0.00 H new ATOM 0 HA ILE A 10 19.054 0.613 -2.457 1.00 0.00 H new ATOM 0 HB ILE A 10 16.773 1.772 -2.162 1.00 0.00 H new ATOM 0 HG12 ILE A 10 18.726 2.941 -0.184 1.00 0.00 H new ATOM 0 HG13 ILE A 10 19.336 2.642 -1.800 1.00 0.00 H new ATOM 0 HG21 ILE A 10 16.121 2.338 0.151 1.00 0.00 H new ATOM 0 HG22 ILE A 10 16.006 0.589 -0.159 1.00 0.00 H new ATOM 0 HG23 ILE A 10 17.377 1.240 0.771 1.00 0.00 H new ATOM 0 HD11 ILE A 10 18.381 4.927 -1.631 1.00 0.00 H new ATOM 0 HD12 ILE A 10 17.436 3.939 -2.771 1.00 0.00 H new ATOM 0 HD13 ILE A 10 16.817 4.242 -1.130 1.00 0.00 H new ATOM 169 N THR A 11 18.375 -0.793 0.434 1.00 0.00 N ATOM 170 CA THR A 11 19.030 -1.323 1.670 1.00 0.00 C ATOM 171 C THR A 11 20.143 -2.307 1.292 1.00 0.00 C ATOM 172 O THR A 11 21.159 -2.388 1.957 1.00 0.00 O ATOM 173 CB THR A 11 17.987 -2.037 2.536 1.00 0.00 C ATOM 174 OG1 THR A 11 16.763 -1.316 2.486 1.00 0.00 O ATOM 175 CG2 THR A 11 18.478 -2.109 3.986 1.00 0.00 C ATOM 0 H THR A 11 17.372 -0.968 0.370 1.00 0.00 H new ATOM 0 HA THR A 11 19.462 -0.493 2.229 1.00 0.00 H new ATOM 0 HB THR A 11 17.834 -3.048 2.159 1.00 0.00 H new ATOM 0 HG1 THR A 11 16.093 -1.771 3.038 1.00 0.00 H new ATOM 0 HG21 THR A 11 17.733 -2.618 4.598 1.00 0.00 H new ATOM 0 HG22 THR A 11 19.417 -2.661 4.025 1.00 0.00 H new ATOM 0 HG23 THR A 11 18.634 -1.100 4.368 1.00 0.00 H new ATOM 183 N ASP A 12 19.961 -3.048 0.229 1.00 0.00 N ATOM 184 CA ASP A 12 21.009 -4.021 -0.197 1.00 0.00 C ATOM 185 C ASP A 12 22.218 -3.255 -0.729 1.00 0.00 C ATOM 186 O ASP A 12 23.352 -3.653 -0.535 1.00 0.00 O ATOM 187 CB ASP A 12 20.454 -4.927 -1.298 1.00 0.00 C ATOM 188 CG ASP A 12 21.014 -6.341 -1.129 1.00 0.00 C ATOM 189 OD1 ASP A 12 20.850 -6.897 -0.055 1.00 0.00 O ATOM 190 OD2 ASP A 12 21.602 -6.841 -2.073 1.00 0.00 O ATOM 0 H ASP A 12 19.130 -3.020 -0.362 1.00 0.00 H new ATOM 0 HA ASP A 12 21.307 -4.632 0.655 1.00 0.00 H new ATOM 0 HB2 ASP A 12 19.365 -4.948 -1.251 1.00 0.00 H new ATOM 0 HB3 ASP A 12 20.724 -4.533 -2.278 1.00 0.00 H new ATOM 195 N VAL A 13 21.978 -2.159 -1.397 1.00 0.00 N ATOM 196 CA VAL A 13 23.103 -1.351 -1.951 1.00 0.00 C ATOM 197 C VAL A 13 23.890 -0.699 -0.806 1.00 0.00 C ATOM 198 O VAL A 13 25.043 -0.353 -0.966 1.00 0.00 O ATOM 199 CB VAL A 13 22.545 -0.268 -2.875 1.00 0.00 C ATOM 200 CG1 VAL A 13 23.696 0.508 -3.519 1.00 0.00 C ATOM 201 CG2 VAL A 13 21.697 -0.916 -3.971 1.00 0.00 C ATOM 0 H VAL A 13 21.047 -1.787 -1.584 1.00 0.00 H new ATOM 0 HA VAL A 13 23.770 -2.002 -2.516 1.00 0.00 H new ATOM 0 HB VAL A 13 21.929 0.416 -2.291 1.00 0.00 H new ATOM 0 HG11 VAL A 13 23.293 1.278 -4.176 1.00 0.00 H new ATOM 0 HG12 VAL A 13 24.300 0.975 -2.741 1.00 0.00 H new ATOM 0 HG13 VAL A 13 24.316 -0.176 -4.099 1.00 0.00 H new ATOM 0 HG21 VAL A 13 21.300 -0.143 -4.629 1.00 0.00 H new ATOM 0 HG22 VAL A 13 22.314 -1.603 -4.550 1.00 0.00 H new ATOM 0 HG23 VAL A 13 20.872 -1.464 -3.516 1.00 0.00 H new ATOM 211 N ILE A 14 23.277 -0.522 0.342 1.00 0.00 N ATOM 212 CA ILE A 14 23.993 0.118 1.489 1.00 0.00 C ATOM 213 C ILE A 14 24.820 -0.930 2.249 1.00 0.00 C ATOM 214 O ILE A 14 25.839 -0.614 2.835 1.00 0.00 O ATOM 215 CB ILE A 14 22.967 0.762 2.435 1.00 0.00 C ATOM 216 CG1 ILE A 14 22.158 1.811 1.664 1.00 0.00 C ATOM 217 CG2 ILE A 14 23.691 1.441 3.606 1.00 0.00 C ATOM 218 CD1 ILE A 14 21.044 2.361 2.559 1.00 0.00 C ATOM 0 H ILE A 14 22.312 -0.794 0.532 1.00 0.00 H new ATOM 0 HA ILE A 14 24.667 0.885 1.108 1.00 0.00 H new ATOM 0 HB ILE A 14 22.301 -0.009 2.822 1.00 0.00 H new ATOM 0 HG12 ILE A 14 22.811 2.621 1.339 1.00 0.00 H new ATOM 0 HG13 ILE A 14 21.730 1.367 0.765 1.00 0.00 H new ATOM 0 HG21 ILE A 14 22.958 1.895 4.273 1.00 0.00 H new ATOM 0 HG22 ILE A 14 24.270 0.699 4.155 1.00 0.00 H new ATOM 0 HG23 ILE A 14 24.360 2.212 3.223 1.00 0.00 H new ATOM 0 HD11 ILE A 14 20.470 3.107 2.009 1.00 0.00 H new ATOM 0 HD12 ILE A 14 20.385 1.547 2.862 1.00 0.00 H new ATOM 0 HD13 ILE A 14 21.483 2.821 3.444 1.00 0.00 H new ATOM 230 N PHE A 15 24.390 -2.166 2.250 1.00 0.00 N ATOM 231 CA PHE A 15 25.151 -3.227 2.981 1.00 0.00 C ATOM 232 C PHE A 15 26.418 -3.583 2.201 1.00 0.00 C ATOM 233 O PHE A 15 27.476 -3.774 2.772 1.00 0.00 O ATOM 234 CB PHE A 15 24.280 -4.477 3.120 1.00 0.00 C ATOM 235 CG PHE A 15 24.861 -5.388 4.178 1.00 0.00 C ATOM 236 CD1 PHE A 15 25.854 -6.315 3.835 1.00 0.00 C ATOM 237 CD2 PHE A 15 24.405 -5.308 5.499 1.00 0.00 C ATOM 238 CE1 PHE A 15 26.390 -7.161 4.815 1.00 0.00 C ATOM 239 CE2 PHE A 15 24.941 -6.153 6.477 1.00 0.00 C ATOM 240 CZ PHE A 15 25.933 -7.080 6.136 1.00 0.00 C ATOM 0 H PHE A 15 23.545 -2.487 1.777 1.00 0.00 H new ATOM 0 HA PHE A 15 25.423 -2.856 3.969 1.00 0.00 H new ATOM 0 HB2 PHE A 15 23.262 -4.195 3.389 1.00 0.00 H new ATOM 0 HB3 PHE A 15 24.224 -5.001 2.166 1.00 0.00 H new ATOM 0 HD1 PHE A 15 26.206 -6.377 2.816 1.00 0.00 H new ATOM 0 HD2 PHE A 15 23.639 -4.594 5.763 1.00 0.00 H new ATOM 0 HE1 PHE A 15 27.156 -7.876 4.551 1.00 0.00 H new ATOM 0 HE2 PHE A 15 24.589 -6.090 7.496 1.00 0.00 H new ATOM 0 HZ PHE A 15 26.346 -7.732 6.891 1.00 0.00 H new ATOM 250 N ILE A 16 26.310 -3.686 0.904 1.00 0.00 N ATOM 251 CA ILE A 16 27.495 -4.046 0.070 1.00 0.00 C ATOM 252 C ILE A 16 28.447 -2.851 -0.042 1.00 0.00 C ATOM 253 O ILE A 16 29.642 -3.020 -0.201 1.00 0.00 O ATOM 254 CB ILE A 16 27.019 -4.455 -1.328 1.00 0.00 C ATOM 255 CG1 ILE A 16 25.925 -5.531 -1.218 1.00 0.00 C ATOM 256 CG2 ILE A 16 28.202 -4.998 -2.136 1.00 0.00 C ATOM 257 CD1 ILE A 16 26.459 -6.768 -0.484 1.00 0.00 C ATOM 0 H ILE A 16 25.447 -3.535 0.382 1.00 0.00 H new ATOM 0 HA ILE A 16 28.025 -4.875 0.539 1.00 0.00 H new ATOM 0 HB ILE A 16 26.607 -3.582 -1.834 1.00 0.00 H new ATOM 0 HG12 ILE A 16 25.063 -5.129 -0.685 1.00 0.00 H new ATOM 0 HG13 ILE A 16 25.582 -5.812 -2.214 1.00 0.00 H new ATOM 0 HG21 ILE A 16 27.861 -5.288 -3.130 1.00 0.00 H new ATOM 0 HG22 ILE A 16 28.966 -4.226 -2.226 1.00 0.00 H new ATOM 0 HG23 ILE A 16 28.621 -5.867 -1.628 1.00 0.00 H new ATOM 0 HD11 ILE A 16 25.672 -7.519 -0.415 1.00 0.00 H new ATOM 0 HD12 ILE A 16 27.306 -7.180 -1.033 1.00 0.00 H new ATOM 0 HD13 ILE A 16 26.780 -6.486 0.519 1.00 0.00 H new ATOM 269 N TYR A 17 27.932 -1.650 0.031 1.00 0.00 N ATOM 270 CA TYR A 17 28.815 -0.449 -0.078 1.00 0.00 C ATOM 271 C TYR A 17 29.792 -0.421 1.102 1.00 0.00 C ATOM 272 O TYR A 17 30.994 -0.390 0.922 1.00 0.00 O ATOM 273 CB TYR A 17 27.958 0.825 -0.070 1.00 0.00 C ATOM 274 CG TYR A 17 28.470 1.786 -1.116 1.00 0.00 C ATOM 275 CD1 TYR A 17 29.660 2.488 -0.897 1.00 0.00 C ATOM 276 CD2 TYR A 17 27.759 1.967 -2.307 1.00 0.00 C ATOM 277 CE1 TYR A 17 30.140 3.372 -1.870 1.00 0.00 C ATOM 278 CE2 TYR A 17 28.238 2.852 -3.280 1.00 0.00 C ATOM 279 CZ TYR A 17 29.429 3.554 -3.062 1.00 0.00 C ATOM 280 OH TYR A 17 29.903 4.424 -4.021 1.00 0.00 O ATOM 0 H TYR A 17 26.940 -1.449 0.161 1.00 0.00 H new ATOM 0 HA TYR A 17 29.377 -0.498 -1.011 1.00 0.00 H new ATOM 0 HB2 TYR A 17 26.916 0.576 -0.270 1.00 0.00 H new ATOM 0 HB3 TYR A 17 27.991 1.292 0.915 1.00 0.00 H new ATOM 0 HD1 TYR A 17 30.208 2.348 0.023 1.00 0.00 H new ATOM 0 HD2 TYR A 17 26.841 1.424 -2.476 1.00 0.00 H new ATOM 0 HE1 TYR A 17 31.059 3.914 -1.701 1.00 0.00 H new ATOM 0 HE2 TYR A 17 27.688 2.993 -4.199 1.00 0.00 H new ATOM 0 HH TYR A 17 29.291 4.432 -4.787 1.00 0.00 H new ATOM 290 N PHE A 18 29.279 -0.430 2.305 1.00 0.00 N ATOM 291 CA PHE A 18 30.163 -0.401 3.509 1.00 0.00 C ATOM 292 C PHE A 18 31.089 -1.620 3.509 1.00 0.00 C ATOM 293 O PHE A 18 32.195 -1.572 4.014 1.00 0.00 O ATOM 294 CB PHE A 18 29.294 -0.417 4.765 1.00 0.00 C ATOM 295 CG PHE A 18 28.898 0.998 5.103 1.00 0.00 C ATOM 296 CD1 PHE A 18 29.826 1.865 5.691 1.00 0.00 C ATOM 297 CD2 PHE A 18 27.604 1.447 4.816 1.00 0.00 C ATOM 298 CE1 PHE A 18 29.458 3.183 5.991 1.00 0.00 C ATOM 299 CE2 PHE A 18 27.236 2.762 5.117 1.00 0.00 C ATOM 300 CZ PHE A 18 28.163 3.631 5.704 1.00 0.00 C ATOM 0 H PHE A 18 28.279 -0.456 2.506 1.00 0.00 H new ATOM 0 HA PHE A 18 30.771 0.503 3.491 1.00 0.00 H new ATOM 0 HB2 PHE A 18 28.406 -1.028 4.601 1.00 0.00 H new ATOM 0 HB3 PHE A 18 29.840 -0.864 5.596 1.00 0.00 H new ATOM 0 HD1 PHE A 18 30.824 1.518 5.913 1.00 0.00 H new ATOM 0 HD2 PHE A 18 26.889 0.777 4.362 1.00 0.00 H new ATOM 0 HE1 PHE A 18 30.173 3.854 6.444 1.00 0.00 H new ATOM 0 HE2 PHE A 18 26.237 3.107 4.897 1.00 0.00 H new ATOM 0 HZ PHE A 18 27.879 4.647 5.936 1.00 0.00 H new ATOM 310 N ALA A 19 30.640 -2.709 2.948 1.00 0.00 N ATOM 311 CA ALA A 19 31.477 -3.945 2.904 1.00 0.00 C ATOM 312 C ALA A 19 32.776 -3.674 2.136 1.00 0.00 C ATOM 313 O ALA A 19 33.864 -3.861 2.648 1.00 0.00 O ATOM 314 CB ALA A 19 30.694 -5.051 2.193 1.00 0.00 C ATOM 0 H ALA A 19 29.721 -2.798 2.514 1.00 0.00 H new ATOM 0 HA ALA A 19 31.721 -4.251 3.921 1.00 0.00 H new ATOM 0 HB1 ALA A 19 31.298 -5.958 2.156 1.00 0.00 H new ATOM 0 HB2 ALA A 19 29.771 -5.251 2.737 1.00 0.00 H new ATOM 0 HB3 ALA A 19 30.455 -4.733 1.178 1.00 0.00 H new ATOM 320 N ALA A 20 32.663 -3.250 0.905 1.00 0.00 N ATOM 321 CA ALA A 20 33.875 -2.975 0.073 1.00 0.00 C ATOM 322 C ALA A 20 34.781 -1.943 0.748 1.00 0.00 C ATOM 323 O ALA A 20 35.962 -2.162 0.919 1.00 0.00 O ATOM 324 CB ALA A 20 33.432 -2.430 -1.282 1.00 0.00 C ATOM 0 H ALA A 20 31.774 -3.080 0.434 1.00 0.00 H new ATOM 0 HA ALA A 20 34.432 -3.904 -0.047 1.00 0.00 H new ATOM 0 HB1 ALA A 20 34.309 -2.226 -1.897 1.00 0.00 H new ATOM 0 HB2 ALA A 20 32.802 -3.166 -1.782 1.00 0.00 H new ATOM 0 HB3 ALA A 20 32.868 -1.508 -1.137 1.00 0.00 H new ATOM 330 N LEU A 21 34.234 -0.814 1.099 1.00 0.00 N ATOM 331 CA LEU A 21 35.045 0.271 1.743 1.00 0.00 C ATOM 332 C LEU A 21 35.261 0.005 3.242 1.00 0.00 C ATOM 333 O LEU A 21 35.859 0.801 3.931 1.00 0.00 O ATOM 334 CB LEU A 21 34.294 1.587 1.588 1.00 0.00 C ATOM 335 CG LEU A 21 34.783 2.317 0.334 1.00 0.00 C ATOM 336 CD1 LEU A 21 34.421 1.497 -0.906 1.00 0.00 C ATOM 337 CD2 LEU A 21 34.113 3.692 0.252 1.00 0.00 C ATOM 0 H LEU A 21 33.248 -0.588 0.968 1.00 0.00 H new ATOM 0 HA LEU A 21 36.021 0.306 1.258 1.00 0.00 H new ATOM 0 HB2 LEU A 21 33.223 1.399 1.516 1.00 0.00 H new ATOM 0 HB3 LEU A 21 34.450 2.211 2.468 1.00 0.00 H new ATOM 0 HG LEU A 21 35.865 2.442 0.383 1.00 0.00 H new ATOM 0 HD11 LEU A 21 34.769 2.016 -1.799 1.00 0.00 H new ATOM 0 HD12 LEU A 21 34.897 0.518 -0.847 1.00 0.00 H new ATOM 0 HD13 LEU A 21 33.339 1.372 -0.957 1.00 0.00 H new ATOM 0 HD21 LEU A 21 34.460 4.213 -0.640 1.00 0.00 H new ATOM 0 HD22 LEU A 21 33.031 3.567 0.202 1.00 0.00 H new ATOM 0 HD23 LEU A 21 34.370 4.275 1.136 1.00 0.00 H new ATOM 349 N SER A 22 34.769 -1.088 3.754 1.00 0.00 N ATOM 350 CA SER A 22 34.932 -1.392 5.216 1.00 0.00 C ATOM 351 C SER A 22 36.396 -1.226 5.693 1.00 0.00 C ATOM 352 O SER A 22 36.620 -0.636 6.731 1.00 0.00 O ATOM 353 CB SER A 22 34.461 -2.821 5.497 1.00 0.00 C ATOM 354 OG SER A 22 34.845 -3.193 6.814 1.00 0.00 O ATOM 0 H SER A 22 34.256 -1.793 3.224 1.00 0.00 H new ATOM 0 HA SER A 22 34.325 -0.676 5.769 1.00 0.00 H new ATOM 0 HB2 SER A 22 33.378 -2.887 5.390 1.00 0.00 H new ATOM 0 HB3 SER A 22 34.896 -3.509 4.771 1.00 0.00 H new ATOM 0 HG SER A 22 34.543 -4.107 6.997 1.00 0.00 H new ATOM 360 N PRO A 23 37.355 -1.749 4.952 1.00 0.00 N ATOM 361 CA PRO A 23 38.825 -1.686 5.284 1.00 0.00 C ATOM 362 C PRO A 23 39.400 -0.315 4.937 1.00 0.00 C ATOM 363 O PRO A 23 39.964 0.369 5.769 1.00 0.00 O ATOM 364 CB PRO A 23 39.492 -2.751 4.432 1.00 0.00 C ATOM 365 CG PRO A 23 38.590 -2.985 3.247 1.00 0.00 C ATOM 366 CD PRO A 23 37.203 -2.494 3.645 1.00 0.00 C ATOM 0 HA PRO A 23 38.992 -1.849 6.349 1.00 0.00 H new ATOM 0 HB2 PRO A 23 40.480 -2.425 4.108 1.00 0.00 H new ATOM 0 HB3 PRO A 23 39.631 -3.671 5.000 1.00 0.00 H new ATOM 0 HG2 PRO A 23 38.954 -2.447 2.372 1.00 0.00 H new ATOM 0 HG3 PRO A 23 38.565 -4.042 2.983 1.00 0.00 H new ATOM 0 HD2 PRO A 23 36.789 -1.842 2.876 1.00 0.00 H new ATOM 0 HD3 PRO A 23 36.515 -3.332 3.757 1.00 0.00 H new ATOM 374 N ALA A 24 39.277 0.070 3.699 1.00 0.00 N ATOM 375 CA ALA A 24 39.826 1.390 3.235 1.00 0.00 C ATOM 376 C ALA A 24 39.418 2.529 4.183 1.00 0.00 C ATOM 377 O ALA A 24 40.118 3.516 4.313 1.00 0.00 O ATOM 378 CB ALA A 24 39.291 1.690 1.834 1.00 0.00 C ATOM 0 H ALA A 24 38.814 -0.476 2.973 1.00 0.00 H new ATOM 0 HA ALA A 24 40.914 1.325 3.225 1.00 0.00 H new ATOM 0 HB1 ALA A 24 39.685 2.647 1.491 1.00 0.00 H new ATOM 0 HB2 ALA A 24 39.603 0.902 1.149 1.00 0.00 H new ATOM 0 HB3 ALA A 24 38.202 1.736 1.862 1.00 0.00 H new ATOM 384 N ILE A 25 38.298 2.397 4.843 1.00 0.00 N ATOM 385 CA ILE A 25 37.841 3.464 5.783 1.00 0.00 C ATOM 386 C ILE A 25 38.521 3.261 7.143 1.00 0.00 C ATOM 387 O ILE A 25 38.906 4.210 7.799 1.00 0.00 O ATOM 388 CB ILE A 25 36.311 3.384 5.932 1.00 0.00 C ATOM 389 CG1 ILE A 25 35.657 3.677 4.569 1.00 0.00 C ATOM 390 CG2 ILE A 25 35.817 4.401 6.977 1.00 0.00 C ATOM 391 CD1 ILE A 25 35.960 5.112 4.117 1.00 0.00 C ATOM 0 H ILE A 25 37.676 1.592 4.771 1.00 0.00 H new ATOM 0 HA ILE A 25 38.109 4.447 5.396 1.00 0.00 H new ATOM 0 HB ILE A 25 36.036 2.384 6.268 1.00 0.00 H new ATOM 0 HG12 ILE A 25 36.025 2.971 3.825 1.00 0.00 H new ATOM 0 HG13 ILE A 25 34.579 3.533 4.639 1.00 0.00 H new ATOM 0 HG21 ILE A 25 34.733 4.331 7.069 1.00 0.00 H new ATOM 0 HG22 ILE A 25 36.278 4.185 7.941 1.00 0.00 H new ATOM 0 HG23 ILE A 25 36.090 5.408 6.662 1.00 0.00 H new ATOM 0 HD11 ILE A 25 35.488 5.297 3.152 1.00 0.00 H new ATOM 0 HD12 ILE A 25 35.569 5.815 4.852 1.00 0.00 H new ATOM 0 HD13 ILE A 25 37.038 5.245 4.025 1.00 0.00 H new ATOM 403 N THR A 26 38.665 2.032 7.567 1.00 0.00 N ATOM 404 CA THR A 26 39.312 1.759 8.886 1.00 0.00 C ATOM 405 C THR A 26 40.746 2.292 8.888 1.00 0.00 C ATOM 406 O THR A 26 41.277 2.656 9.921 1.00 0.00 O ATOM 407 CB THR A 26 39.333 0.250 9.141 1.00 0.00 C ATOM 408 OG1 THR A 26 38.083 -0.308 8.763 1.00 0.00 O ATOM 409 CG2 THR A 26 39.586 -0.013 10.627 1.00 0.00 C ATOM 0 H THR A 26 38.362 1.203 7.055 1.00 0.00 H new ATOM 0 HA THR A 26 38.743 2.258 9.671 1.00 0.00 H new ATOM 0 HB THR A 26 40.128 -0.209 8.554 1.00 0.00 H new ATOM 0 HG1 THR A 26 38.077 -0.472 7.797 1.00 0.00 H new ATOM 0 HG21 THR A 26 39.601 -1.088 10.809 1.00 0.00 H new ATOM 0 HG22 THR A 26 40.545 0.417 10.914 1.00 0.00 H new ATOM 0 HG23 THR A 26 38.792 0.444 11.218 1.00 0.00 H new ATOM 417 N PHE A 27 41.377 2.342 7.742 1.00 0.00 N ATOM 418 CA PHE A 27 42.780 2.852 7.677 1.00 0.00 C ATOM 419 C PHE A 27 42.809 4.314 8.137 1.00 0.00 C ATOM 420 O PHE A 27 41.778 4.931 8.328 1.00 0.00 O ATOM 421 CB PHE A 27 43.299 2.748 6.234 1.00 0.00 C ATOM 422 CG PHE A 27 44.332 1.646 6.138 1.00 0.00 C ATOM 423 CD1 PHE A 27 43.964 0.315 6.372 1.00 0.00 C ATOM 424 CD2 PHE A 27 45.658 1.959 5.818 1.00 0.00 C ATOM 425 CE1 PHE A 27 44.923 -0.702 6.284 1.00 0.00 C ATOM 426 CE2 PHE A 27 46.617 0.943 5.730 1.00 0.00 C ATOM 427 CZ PHE A 27 46.249 -0.388 5.963 1.00 0.00 C ATOM 0 H PHE A 27 40.981 2.051 6.848 1.00 0.00 H new ATOM 0 HA PHE A 27 43.418 2.255 8.329 1.00 0.00 H new ATOM 0 HB2 PHE A 27 42.472 2.544 5.554 1.00 0.00 H new ATOM 0 HB3 PHE A 27 43.737 3.697 5.926 1.00 0.00 H new ATOM 0 HD1 PHE A 27 42.941 0.073 6.620 1.00 0.00 H new ATOM 0 HD2 PHE A 27 45.942 2.986 5.639 1.00 0.00 H new ATOM 0 HE1 PHE A 27 44.640 -1.729 6.464 1.00 0.00 H new ATOM 0 HE2 PHE A 27 47.640 1.185 5.483 1.00 0.00 H new ATOM 0 HZ PHE A 27 46.988 -1.172 5.895 1.00 0.00 H new ATOM 437 N GLY A 28 43.981 4.866 8.318 1.00 0.00 N ATOM 438 CA GLY A 28 44.084 6.285 8.769 1.00 0.00 C ATOM 439 C GLY A 28 43.762 7.220 7.602 1.00 0.00 C ATOM 440 O GLY A 28 42.638 7.284 7.139 1.00 0.00 O ATOM 0 H GLY A 28 44.873 4.393 8.172 1.00 0.00 H new ATOM 0 HA2 GLY A 28 43.395 6.466 9.594 1.00 0.00 H new ATOM 0 HA3 GLY A 28 45.088 6.486 9.143 1.00 0.00 H new ATOM 444 N GLY A 29 44.742 7.946 7.126 1.00 0.00 N ATOM 445 CA GLY A 29 44.503 8.880 5.989 1.00 0.00 C ATOM 446 C GLY A 29 45.748 8.943 5.102 1.00 0.00 C ATOM 447 O GLY A 29 46.082 9.980 4.562 1.00 0.00 O ATOM 0 H GLY A 29 45.699 7.931 7.478 1.00 0.00 H new ATOM 0 HA2 GLY A 29 43.645 8.545 5.405 1.00 0.00 H new ATOM 0 HA3 GLY A 29 44.263 9.874 6.367 1.00 0.00 H new ATOM 451 N LEU A 30 46.434 7.839 4.949 1.00 0.00 N ATOM 452 CA LEU A 30 47.659 7.823 4.096 1.00 0.00 C ATOM 453 C LEU A 30 47.252 7.648 2.630 1.00 0.00 C ATOM 454 O LEU A 30 47.640 8.420 1.774 1.00 0.00 O ATOM 455 CB LEU A 30 48.564 6.658 4.529 1.00 0.00 C ATOM 456 CG LEU A 30 49.968 7.180 4.845 1.00 0.00 C ATOM 457 CD1 LEU A 30 50.591 6.329 5.951 1.00 0.00 C ATOM 458 CD2 LEU A 30 50.838 7.097 3.588 1.00 0.00 C ATOM 0 H LEU A 30 46.197 6.945 5.380 1.00 0.00 H new ATOM 0 HA LEU A 30 48.201 8.762 4.210 1.00 0.00 H new ATOM 0 HB2 LEU A 30 48.144 6.166 5.406 1.00 0.00 H new ATOM 0 HB3 LEU A 30 48.614 5.911 3.737 1.00 0.00 H new ATOM 0 HG LEU A 30 49.904 8.217 5.176 1.00 0.00 H new ATOM 0 HD11 LEU A 30 51.591 6.700 6.176 1.00 0.00 H new ATOM 0 HD12 LEU A 30 49.972 6.386 6.846 1.00 0.00 H new ATOM 0 HD13 LEU A 30 50.655 5.292 5.620 1.00 0.00 H new ATOM 0 HD21 LEU A 30 51.838 7.469 3.812 1.00 0.00 H new ATOM 0 HD22 LEU A 30 50.902 6.060 3.257 1.00 0.00 H new ATOM 0 HD23 LEU A 30 50.395 7.703 2.798 1.00 0.00 H new ATOM 470 N LEU A 31 46.474 6.636 2.341 1.00 0.00 N ATOM 471 CA LEU A 31 46.035 6.399 0.934 1.00 0.00 C ATOM 472 C LEU A 31 45.014 7.464 0.529 1.00 0.00 C ATOM 473 O LEU A 31 44.971 7.894 -0.608 1.00 0.00 O ATOM 474 CB LEU A 31 45.389 5.016 0.827 1.00 0.00 C ATOM 475 CG LEU A 31 45.317 4.597 -0.642 1.00 0.00 C ATOM 476 CD1 LEU A 31 46.672 4.039 -1.080 1.00 0.00 C ATOM 477 CD2 LEU A 31 44.243 3.520 -0.812 1.00 0.00 C ATOM 0 H LEU A 31 46.123 5.962 3.022 1.00 0.00 H new ATOM 0 HA LEU A 31 46.900 6.452 0.273 1.00 0.00 H new ATOM 0 HB2 LEU A 31 45.968 4.288 1.396 1.00 0.00 H new ATOM 0 HB3 LEU A 31 44.389 5.036 1.260 1.00 0.00 H new ATOM 0 HG LEU A 31 45.065 5.462 -1.255 1.00 0.00 H new ATOM 0 HD11 LEU A 31 46.621 3.740 -2.127 1.00 0.00 H new ATOM 0 HD12 LEU A 31 47.438 4.805 -0.958 1.00 0.00 H new ATOM 0 HD13 LEU A 31 46.924 3.173 -0.467 1.00 0.00 H new ATOM 0 HD21 LEU A 31 44.191 3.220 -1.859 1.00 0.00 H new ATOM 0 HD22 LEU A 31 44.495 2.655 -0.199 1.00 0.00 H new ATOM 0 HD23 LEU A 31 43.277 3.917 -0.499 1.00 0.00 H new ATOM 489 N GLY A 32 44.191 7.888 1.455 1.00 0.00 N ATOM 490 CA GLY A 32 43.165 8.924 1.136 1.00 0.00 C ATOM 491 C GLY A 32 41.950 8.257 0.491 1.00 0.00 C ATOM 492 O GLY A 32 41.986 7.092 0.140 1.00 0.00 O ATOM 0 H GLY A 32 44.187 7.559 2.421 1.00 0.00 H new ATOM 0 HA2 GLY A 32 42.866 9.447 2.044 1.00 0.00 H new ATOM 0 HA3 GLY A 32 43.584 9.671 0.461 1.00 0.00 H new ATOM 496 N GLU A 33 40.872 8.986 0.335 1.00 0.00 N ATOM 497 CA GLU A 33 39.645 8.398 -0.286 1.00 0.00 C ATOM 498 C GLU A 33 39.966 7.903 -1.698 1.00 0.00 C ATOM 499 O GLU A 33 39.567 6.824 -2.094 1.00 0.00 O ATOM 500 CB GLU A 33 38.540 9.457 -0.354 1.00 0.00 C ATOM 501 CG GLU A 33 39.035 10.693 -1.111 1.00 0.00 C ATOM 502 CD GLU A 33 38.247 11.921 -0.655 1.00 0.00 C ATOM 503 OE1 GLU A 33 37.051 11.956 -0.893 1.00 0.00 O ATOM 504 OE2 GLU A 33 38.852 12.807 -0.073 1.00 0.00 O ATOM 0 H GLU A 33 40.789 9.964 0.611 1.00 0.00 H new ATOM 0 HA GLU A 33 39.305 7.560 0.322 1.00 0.00 H new ATOM 0 HB2 GLU A 33 37.662 9.045 -0.851 1.00 0.00 H new ATOM 0 HB3 GLU A 33 38.233 9.738 0.654 1.00 0.00 H new ATOM 0 HG2 GLU A 33 40.099 10.842 -0.928 1.00 0.00 H new ATOM 0 HG3 GLU A 33 38.913 10.548 -2.184 1.00 0.00 H new ATOM 511 N LYS A 34 40.686 8.686 -2.453 1.00 0.00 N ATOM 512 CA LYS A 34 41.046 8.275 -3.839 1.00 0.00 C ATOM 513 C LYS A 34 42.444 7.652 -3.839 1.00 0.00 C ATOM 514 O LYS A 34 43.372 8.326 -3.423 1.00 0.00 O ATOM 515 CB LYS A 34 41.032 9.499 -4.757 1.00 0.00 C ATOM 516 CG LYS A 34 40.534 9.087 -6.143 1.00 0.00 C ATOM 517 CD LYS A 34 41.647 8.344 -6.883 1.00 0.00 C ATOM 518 CE LYS A 34 41.118 7.845 -8.228 1.00 0.00 C ATOM 519 NZ LYS A 34 39.957 6.939 -7.999 1.00 0.00 N ATOM 520 OXT LYS A 34 42.561 6.511 -4.256 1.00 0.00 O ATOM 0 H LYS A 34 41.042 9.598 -2.168 1.00 0.00 H new ATOM 0 HA LYS A 34 40.322 7.544 -4.200 1.00 0.00 H new ATOM 0 HB2 LYS A 34 40.386 10.272 -4.341 1.00 0.00 H new ATOM 0 HB3 LYS A 34 42.033 9.925 -4.829 1.00 0.00 H new ATOM 0 HG2 LYS A 34 39.655 8.449 -6.051 1.00 0.00 H new ATOM 0 HG3 LYS A 34 40.231 9.968 -6.709 1.00 0.00 H new ATOM 0 HD2 LYS A 34 42.500 9.005 -7.038 1.00 0.00 H new ATOM 0 HD3 LYS A 34 41.999 7.504 -6.284 1.00 0.00 H new ATOM 0 HE2 LYS A 34 40.818 8.689 -8.849 1.00 0.00 H new ATOM 0 HE3 LYS A 34 41.904 7.317 -8.767 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 39.841 6.309 -8.818 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 40.124 6.369 -7.145 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 39.094 7.506 -7.873 1.00 0.00 H new TER 534 LYS A 34