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 180:sc=-0.000491 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 35:sc= 0.616 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 86:sc= 0.0839 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- HETATM 1 C ACE A 1 1.862 -1.023 4.516 1.00 0.00 C HETATM 2 O ACE A 1 1.202 -1.752 3.800 1.00 0.00 O HETATM 3 CH3 ACE A 1 2.071 -1.346 5.997 1.00 0.00 C HETATM 0 H1 ACE A 1 3.136 -1.460 6.198 1.00 0.00 H new HETATM 0 H2 ACE A 1 1.672 -0.535 6.606 1.00 0.00 H new HETATM 0 H3 ACE A 1 1.554 -2.273 6.244 1.00 0.00 H new ATOM 7 N ARG A 2 2.416 0.071 4.057 1.00 0.00 N ATOM 8 CA ARG A 2 2.251 0.460 2.628 1.00 0.00 C ATOM 9 C ARG A 2 3.616 0.578 1.932 1.00 0.00 C ATOM 10 O ARG A 2 3.686 0.701 0.724 1.00 0.00 O ATOM 11 CB ARG A 2 1.532 1.807 2.557 1.00 0.00 C ATOM 12 CG ARG A 2 0.027 1.575 2.405 1.00 0.00 C ATOM 13 CD ARG A 2 -0.673 2.908 2.130 1.00 0.00 C ATOM 14 NE ARG A 2 -0.824 3.096 0.660 1.00 0.00 N ATOM 15 CZ ARG A 2 -1.838 3.767 0.189 1.00 0.00 C ATOM 16 NH1 ARG A 2 -1.802 5.071 0.162 1.00 0.00 N ATOM 17 NH2 ARG A 2 -2.891 3.136 -0.254 1.00 0.00 N ATOM 0 H ARG A 2 2.978 0.713 4.616 1.00 0.00 H new ATOM 0 HA ARG A 2 1.668 -0.309 2.121 1.00 0.00 H new ATOM 0 HB2 ARG A 2 1.732 2.386 3.459 1.00 0.00 H new ATOM 0 HB3 ARG A 2 1.908 2.388 1.715 1.00 0.00 H new ATOM 0 HG2 ARG A 2 -0.163 0.878 1.589 1.00 0.00 H new ATOM 0 HG3 ARG A 2 -0.375 1.122 3.311 1.00 0.00 H new ATOM 0 HD2 ARG A 2 -1.651 2.924 2.612 1.00 0.00 H new ATOM 0 HD3 ARG A 2 -0.095 3.729 2.555 1.00 0.00 H new ATOM 0 HE ARG A 2 -0.134 2.700 0.022 1.00 0.00 H new ATOM 0 HH11 ARG A 2 -0.980 5.566 0.509 1.00 0.00 H new ATOM 0 HH12 ARG A 2 -2.595 5.596 -0.207 1.00 0.00 H new ATOM 0 HH21 ARG A 2 -2.922 2.117 -0.232 1.00 0.00 H new ATOM 0 HH22 ARG A 2 -3.683 3.662 -0.622 1.00 0.00 H new ATOM 31 N TYR A 3 4.703 0.549 2.673 1.00 0.00 N ATOM 32 CA TYR A 3 6.061 0.667 2.042 1.00 0.00 C ATOM 33 C TYR A 3 6.223 2.084 1.451 1.00 0.00 C ATOM 34 O TYR A 3 6.314 2.245 0.249 1.00 0.00 O ATOM 35 CB TYR A 3 6.199 -0.394 0.932 1.00 0.00 C ATOM 36 CG TYR A 3 7.576 -1.014 0.963 1.00 0.00 C ATOM 37 CD1 TYR A 3 8.088 -1.541 2.156 1.00 0.00 C ATOM 38 CD2 TYR A 3 8.340 -1.066 -0.208 1.00 0.00 C ATOM 39 CE1 TYR A 3 9.365 -2.119 2.173 1.00 0.00 C ATOM 40 CE2 TYR A 3 9.614 -1.641 -0.191 1.00 0.00 C ATOM 41 CZ TYR A 3 10.128 -2.168 0.999 1.00 0.00 C ATOM 42 OH TYR A 3 11.386 -2.735 1.014 1.00 0.00 O ATOM 0 H TYR A 3 4.708 0.449 3.688 1.00 0.00 H new ATOM 0 HA TYR A 3 6.837 0.502 2.789 1.00 0.00 H new ATOM 0 HB2 TYR A 3 5.442 -1.167 1.064 1.00 0.00 H new ATOM 0 HB3 TYR A 3 6.021 0.064 -0.041 1.00 0.00 H new ATOM 0 HD1 TYR A 3 7.500 -1.502 3.061 1.00 0.00 H new ATOM 0 HD2 TYR A 3 7.944 -0.661 -1.128 1.00 0.00 H new ATOM 0 HE1 TYR A 3 9.761 -2.527 3.091 1.00 0.00 H new ATOM 0 HE2 TYR A 3 10.202 -1.679 -1.096 1.00 0.00 H new ATOM 0 HH TYR A 3 11.777 -2.687 0.117 1.00 0.00 H new ATOM 52 N PRO A 4 6.232 3.084 2.315 1.00 0.00 N ATOM 53 CA PRO A 4 6.354 4.540 1.975 1.00 0.00 C ATOM 54 C PRO A 4 7.816 5.026 2.028 1.00 0.00 C ATOM 55 O PRO A 4 8.460 5.182 1.008 1.00 0.00 O ATOM 56 CB PRO A 4 5.515 5.249 3.035 1.00 0.00 C ATOM 57 CG PRO A 4 5.462 4.321 4.238 1.00 0.00 C ATOM 58 CD PRO A 4 6.119 3.006 3.813 1.00 0.00 C ATOM 0 HA PRO A 4 6.016 4.743 0.959 1.00 0.00 H new ATOM 0 HB2 PRO A 4 5.959 6.207 3.304 1.00 0.00 H new ATOM 0 HB3 PRO A 4 4.512 5.456 2.661 1.00 0.00 H new ATOM 0 HG2 PRO A 4 5.987 4.759 5.087 1.00 0.00 H new ATOM 0 HG3 PRO A 4 4.432 4.154 4.552 1.00 0.00 H new ATOM 0 HD2 PRO A 4 7.099 2.889 4.276 1.00 0.00 H new ATOM 0 HD3 PRO A 4 5.518 2.149 4.118 1.00 0.00 H new ATOM 66 N TYR A 5 8.329 5.295 3.205 1.00 0.00 N ATOM 67 CA TYR A 5 9.730 5.805 3.333 1.00 0.00 C ATOM 68 C TYR A 5 10.733 4.651 3.460 1.00 0.00 C ATOM 69 O TYR A 5 11.926 4.849 3.325 1.00 0.00 O ATOM 70 CB TYR A 5 9.822 6.683 4.580 1.00 0.00 C ATOM 71 CG TYR A 5 10.980 7.643 4.448 1.00 0.00 C ATOM 72 CD1 TYR A 5 10.838 8.813 3.691 1.00 0.00 C ATOM 73 CD2 TYR A 5 12.194 7.368 5.090 1.00 0.00 C ATOM 74 CE1 TYR A 5 11.911 9.705 3.575 1.00 0.00 C ATOM 75 CE2 TYR A 5 13.265 8.261 4.975 1.00 0.00 C ATOM 76 CZ TYR A 5 13.123 9.430 4.218 1.00 0.00 C ATOM 77 OH TYR A 5 14.179 10.311 4.109 1.00 0.00 O ATOM 0 H TYR A 5 7.833 5.182 4.089 1.00 0.00 H new ATOM 0 HA TYR A 5 9.975 6.376 2.437 1.00 0.00 H new ATOM 0 HB2 TYR A 5 8.893 7.237 4.715 1.00 0.00 H new ATOM 0 HB3 TYR A 5 9.953 6.060 5.465 1.00 0.00 H new ATOM 0 HD1 TYR A 5 9.902 9.027 3.197 1.00 0.00 H new ATOM 0 HD2 TYR A 5 12.304 6.466 5.674 1.00 0.00 H new ATOM 0 HE1 TYR A 5 11.803 10.606 2.989 1.00 0.00 H new ATOM 0 HE2 TYR A 5 14.201 8.048 5.470 1.00 0.00 H new ATOM 0 HH TYR A 5 14.944 9.969 4.617 1.00 0.00 H new ATOM 87 N TYR A 6 10.270 3.454 3.723 1.00 0.00 N ATOM 88 CA TYR A 6 11.202 2.292 3.866 1.00 0.00 C ATOM 89 C TYR A 6 12.087 2.148 2.613 1.00 0.00 C ATOM 90 O TYR A 6 13.144 1.548 2.662 1.00 0.00 O ATOM 91 CB TYR A 6 10.377 1.019 4.057 1.00 0.00 C ATOM 92 CG TYR A 6 11.164 0.017 4.872 1.00 0.00 C ATOM 93 CD1 TYR A 6 11.184 0.113 6.269 1.00 0.00 C ATOM 94 CD2 TYR A 6 11.870 -1.009 4.231 1.00 0.00 C ATOM 95 CE1 TYR A 6 11.910 -0.816 7.025 1.00 0.00 C ATOM 96 CE2 TYR A 6 12.597 -1.938 4.988 1.00 0.00 C ATOM 97 CZ TYR A 6 12.617 -1.841 6.385 1.00 0.00 C ATOM 98 OH TYR A 6 13.332 -2.756 7.132 1.00 0.00 O ATOM 0 H TYR A 6 9.282 3.230 3.845 1.00 0.00 H new ATOM 0 HA TYR A 6 11.849 2.456 4.728 1.00 0.00 H new ATOM 0 HB2 TYR A 6 9.439 1.254 4.560 1.00 0.00 H new ATOM 0 HB3 TYR A 6 10.120 0.592 3.088 1.00 0.00 H new ATOM 0 HD1 TYR A 6 10.639 0.904 6.764 1.00 0.00 H new ATOM 0 HD2 TYR A 6 11.854 -1.084 3.154 1.00 0.00 H new ATOM 0 HE1 TYR A 6 11.924 -0.742 8.102 1.00 0.00 H new ATOM 0 HE2 TYR A 6 13.142 -2.729 4.494 1.00 0.00 H new ATOM 0 HH TYR A 6 13.763 -3.401 6.534 1.00 0.00 H new ATOM 108 N LEU A 7 11.660 2.686 1.494 1.00 0.00 N ATOM 109 CA LEU A 7 12.468 2.576 0.238 1.00 0.00 C ATOM 110 C LEU A 7 13.791 3.342 0.381 1.00 0.00 C ATOM 111 O LEU A 7 14.835 2.879 -0.043 1.00 0.00 O ATOM 112 CB LEU A 7 11.672 3.178 -0.930 1.00 0.00 C ATOM 113 CG LEU A 7 10.736 2.130 -1.548 1.00 0.00 C ATOM 114 CD1 LEU A 7 11.555 0.964 -2.107 1.00 0.00 C ATOM 115 CD2 LEU A 7 9.759 1.613 -0.486 1.00 0.00 C ATOM 0 H LEU A 7 10.783 3.198 1.397 1.00 0.00 H new ATOM 0 HA LEU A 7 12.682 1.524 0.051 1.00 0.00 H new ATOM 0 HB2 LEU A 7 11.090 4.030 -0.579 1.00 0.00 H new ATOM 0 HB3 LEU A 7 12.358 3.552 -1.689 1.00 0.00 H new ATOM 0 HG LEU A 7 10.173 2.592 -2.359 1.00 0.00 H new ATOM 0 HD11 LEU A 7 10.884 0.224 -2.544 1.00 0.00 H new ATOM 0 HD12 LEU A 7 12.237 1.333 -2.873 1.00 0.00 H new ATOM 0 HD13 LEU A 7 12.128 0.503 -1.302 1.00 0.00 H new ATOM 0 HD21 LEU A 7 9.098 0.870 -0.931 1.00 0.00 H new ATOM 0 HD22 LEU A 7 10.318 1.158 0.332 1.00 0.00 H new ATOM 0 HD23 LEU A 7 9.166 2.443 -0.102 1.00 0.00 H new ATOM 127 N SER A 8 13.747 4.518 0.952 1.00 0.00 N ATOM 128 CA SER A 8 14.988 5.340 1.103 1.00 0.00 C ATOM 129 C SER A 8 16.055 4.582 1.901 1.00 0.00 C ATOM 130 O SER A 8 17.240 4.774 1.696 1.00 0.00 O ATOM 131 CB SER A 8 14.647 6.640 1.832 1.00 0.00 C ATOM 132 OG SER A 8 15.728 7.553 1.694 1.00 0.00 O ATOM 0 H SER A 8 12.900 4.948 1.323 1.00 0.00 H new ATOM 0 HA SER A 8 15.383 5.554 0.110 1.00 0.00 H new ATOM 0 HB2 SER A 8 13.735 7.073 1.420 1.00 0.00 H new ATOM 0 HB3 SER A 8 14.457 6.440 2.887 1.00 0.00 H new ATOM 0 HG SER A 8 15.512 8.388 2.159 1.00 0.00 H new ATOM 138 N ASP A 9 15.651 3.743 2.818 1.00 0.00 N ATOM 139 CA ASP A 9 16.646 2.992 3.644 1.00 0.00 C ATOM 140 C ASP A 9 17.475 2.051 2.761 1.00 0.00 C ATOM 141 O ASP A 9 18.654 1.852 2.995 1.00 0.00 O ATOM 142 CB ASP A 9 15.912 2.174 4.710 1.00 0.00 C ATOM 143 CG ASP A 9 16.869 1.866 5.864 1.00 0.00 C ATOM 144 OD1 ASP A 9 17.023 2.719 6.723 1.00 0.00 O ATOM 145 OD2 ASP A 9 17.433 0.785 5.867 1.00 0.00 O ATOM 0 H ASP A 9 14.674 3.544 3.032 1.00 0.00 H new ATOM 0 HA ASP A 9 17.315 3.707 4.122 1.00 0.00 H new ATOM 0 HB2 ASP A 9 15.048 2.728 5.078 1.00 0.00 H new ATOM 0 HB3 ASP A 9 15.536 1.247 4.278 1.00 0.00 H new ATOM 150 N ILE A 10 16.870 1.464 1.761 1.00 0.00 N ATOM 151 CA ILE A 10 17.619 0.521 0.874 1.00 0.00 C ATOM 152 C ILE A 10 18.647 1.290 0.038 1.00 0.00 C ATOM 153 O ILE A 10 19.776 0.865 -0.114 1.00 0.00 O ATOM 154 CB ILE A 10 16.640 -0.188 -0.066 1.00 0.00 C ATOM 155 CG1 ILE A 10 15.514 -0.837 0.746 1.00 0.00 C ATOM 156 CG2 ILE A 10 17.383 -1.270 -0.853 1.00 0.00 C ATOM 157 CD1 ILE A 10 14.218 -0.794 -0.066 1.00 0.00 C ATOM 0 H ILE A 10 15.888 1.596 1.519 1.00 0.00 H new ATOM 0 HA ILE A 10 18.133 -0.213 1.495 1.00 0.00 H new ATOM 0 HB ILE A 10 16.214 0.542 -0.754 1.00 0.00 H new ATOM 0 HG12 ILE A 10 15.772 -1.868 0.988 1.00 0.00 H new ATOM 0 HG13 ILE A 10 15.382 -0.311 1.692 1.00 0.00 H new ATOM 0 HG21 ILE A 10 16.687 -1.775 -1.523 1.00 0.00 H new ATOM 0 HG22 ILE A 10 18.181 -0.812 -1.437 1.00 0.00 H new ATOM 0 HG23 ILE A 10 17.811 -1.995 -0.160 1.00 0.00 H new ATOM 0 HD11 ILE A 10 13.414 -1.255 0.508 1.00 0.00 H new ATOM 0 HD12 ILE A 10 13.960 0.242 -0.285 1.00 0.00 H new ATOM 0 HD13 ILE A 10 14.356 -1.339 -1.000 1.00 0.00 H new ATOM 169 N THR A 11 18.259 2.412 -0.515 1.00 0.00 N ATOM 170 CA THR A 11 19.199 3.212 -1.357 1.00 0.00 C ATOM 171 C THR A 11 20.456 3.570 -0.556 1.00 0.00 C ATOM 172 O THR A 11 21.561 3.499 -1.060 1.00 0.00 O ATOM 173 CB THR A 11 18.497 4.495 -1.804 1.00 0.00 C ATOM 174 OG1 THR A 11 17.660 4.962 -0.756 1.00 0.00 O ATOM 175 CG2 THR A 11 17.650 4.213 -3.047 1.00 0.00 C ATOM 0 H THR A 11 17.325 2.810 -0.418 1.00 0.00 H new ATOM 0 HA THR A 11 19.493 2.624 -2.226 1.00 0.00 H new ATOM 0 HB THR A 11 19.243 5.253 -2.042 1.00 0.00 H new ATOM 0 HG1 THR A 11 18.083 4.775 0.108 1.00 0.00 H new ATOM 0 HG21 THR A 11 17.151 5.129 -3.363 1.00 0.00 H new ATOM 0 HG22 THR A 11 18.292 3.854 -3.851 1.00 0.00 H new ATOM 0 HG23 THR A 11 16.902 3.455 -2.814 1.00 0.00 H new ATOM 183 N ASP A 12 20.295 3.956 0.684 1.00 0.00 N ATOM 184 CA ASP A 12 21.477 4.322 1.519 1.00 0.00 C ATOM 185 C ASP A 12 22.359 3.085 1.721 1.00 0.00 C ATOM 186 O ASP A 12 23.563 3.189 1.860 1.00 0.00 O ATOM 187 CB ASP A 12 20.995 4.852 2.879 1.00 0.00 C ATOM 188 CG ASP A 12 21.396 6.322 3.037 1.00 0.00 C ATOM 189 OD1 ASP A 12 21.132 7.090 2.126 1.00 0.00 O ATOM 190 OD2 ASP A 12 21.959 6.654 4.067 1.00 0.00 O ATOM 0 H ASP A 12 19.393 4.033 1.155 1.00 0.00 H new ATOM 0 HA ASP A 12 22.057 5.097 1.018 1.00 0.00 H new ATOM 0 HB2 ASP A 12 19.912 4.751 2.956 1.00 0.00 H new ATOM 0 HB3 ASP A 12 21.428 4.259 3.685 1.00 0.00 H new ATOM 195 N VAL A 13 21.766 1.920 1.739 1.00 0.00 N ATOM 196 CA VAL A 13 22.564 0.674 1.932 1.00 0.00 C ATOM 197 C VAL A 13 23.324 0.340 0.642 1.00 0.00 C ATOM 198 O VAL A 13 24.372 -0.279 0.675 1.00 0.00 O ATOM 199 CB VAL A 13 21.625 -0.476 2.293 1.00 0.00 C ATOM 200 CG1 VAL A 13 22.439 -1.739 2.584 1.00 0.00 C ATOM 201 CG2 VAL A 13 20.814 -0.101 3.537 1.00 0.00 C ATOM 0 H VAL A 13 20.762 1.778 1.628 1.00 0.00 H new ATOM 0 HA VAL A 13 23.282 0.823 2.738 1.00 0.00 H new ATOM 0 HB VAL A 13 20.952 -0.664 1.457 1.00 0.00 H new ATOM 0 HG11 VAL A 13 21.764 -2.556 2.841 1.00 0.00 H new ATOM 0 HG12 VAL A 13 23.018 -2.010 1.701 1.00 0.00 H new ATOM 0 HG13 VAL A 13 23.116 -1.552 3.418 1.00 0.00 H new ATOM 0 HG21 VAL A 13 20.144 -0.921 3.795 1.00 0.00 H new ATOM 0 HG22 VAL A 13 21.492 0.090 4.369 1.00 0.00 H new ATOM 0 HG23 VAL A 13 20.229 0.796 3.333 1.00 0.00 H new ATOM 211 N ILE A 14 22.805 0.744 -0.490 1.00 0.00 N ATOM 212 CA ILE A 14 23.494 0.451 -1.782 1.00 0.00 C ATOM 213 C ILE A 14 24.689 1.398 -1.953 1.00 0.00 C ATOM 214 O ILE A 14 25.680 1.052 -2.569 1.00 0.00 O ATOM 215 CB ILE A 14 22.503 0.639 -2.940 1.00 0.00 C ATOM 216 CG1 ILE A 14 21.314 -0.304 -2.743 1.00 0.00 C ATOM 217 CG2 ILE A 14 23.185 0.318 -4.273 1.00 0.00 C ATOM 218 CD1 ILE A 14 20.190 0.075 -3.711 1.00 0.00 C ATOM 0 H ILE A 14 21.932 1.265 -0.574 1.00 0.00 H new ATOM 0 HA ILE A 14 23.854 -0.578 -1.782 1.00 0.00 H new ATOM 0 HB ILE A 14 22.161 1.674 -2.953 1.00 0.00 H new ATOM 0 HG12 ILE A 14 21.623 -1.335 -2.915 1.00 0.00 H new ATOM 0 HG13 ILE A 14 20.957 -0.245 -1.715 1.00 0.00 H new ATOM 0 HG21 ILE A 14 22.474 0.454 -5.088 1.00 0.00 H new ATOM 0 HG22 ILE A 14 24.034 0.986 -4.417 1.00 0.00 H new ATOM 0 HG23 ILE A 14 23.533 -0.715 -4.264 1.00 0.00 H new ATOM 0 HD11 ILE A 14 19.345 -0.598 -3.568 1.00 0.00 H new ATOM 0 HD12 ILE A 14 19.874 1.100 -3.518 1.00 0.00 H new ATOM 0 HD13 ILE A 14 20.550 -0.007 -4.737 1.00 0.00 H new ATOM 230 N PHE A 15 24.598 2.586 -1.413 1.00 0.00 N ATOM 231 CA PHE A 15 25.722 3.564 -1.540 1.00 0.00 C ATOM 232 C PHE A 15 26.918 3.087 -0.713 1.00 0.00 C ATOM 233 O PHE A 15 28.053 3.178 -1.139 1.00 0.00 O ATOM 234 CB PHE A 15 25.264 4.932 -1.028 1.00 0.00 C ATOM 235 CG PHE A 15 26.321 5.969 -1.329 1.00 0.00 C ATOM 236 CD1 PHE A 15 26.776 6.147 -2.641 1.00 0.00 C ATOM 237 CD2 PHE A 15 26.843 6.754 -0.294 1.00 0.00 C ATOM 238 CE1 PHE A 15 27.754 7.111 -2.918 1.00 0.00 C ATOM 239 CE2 PHE A 15 27.819 7.717 -0.571 1.00 0.00 C ATOM 240 CZ PHE A 15 28.275 7.896 -1.882 1.00 0.00 C ATOM 0 H PHE A 15 23.791 2.923 -0.888 1.00 0.00 H new ATOM 0 HA PHE A 15 26.016 3.643 -2.587 1.00 0.00 H new ATOM 0 HB2 PHE A 15 24.322 5.211 -1.500 1.00 0.00 H new ATOM 0 HB3 PHE A 15 25.081 4.886 0.046 1.00 0.00 H new ATOM 0 HD1 PHE A 15 26.373 5.541 -3.439 1.00 0.00 H new ATOM 0 HD2 PHE A 15 26.492 6.616 0.718 1.00 0.00 H new ATOM 0 HE1 PHE A 15 28.106 7.249 -3.930 1.00 0.00 H new ATOM 0 HE2 PHE A 15 28.221 8.323 0.228 1.00 0.00 H new ATOM 0 HZ PHE A 15 29.029 8.640 -2.095 1.00 0.00 H new ATOM 250 N ILE A 16 26.669 2.590 0.471 1.00 0.00 N ATOM 251 CA ILE A 16 27.787 2.115 1.340 1.00 0.00 C ATOM 252 C ILE A 16 28.318 0.765 0.834 1.00 0.00 C ATOM 253 O ILE A 16 29.426 0.375 1.154 1.00 0.00 O ATOM 254 CB ILE A 16 27.278 1.966 2.778 1.00 0.00 C ATOM 255 CG1 ILE A 16 26.689 3.300 3.247 1.00 0.00 C ATOM 256 CG2 ILE A 16 28.437 1.578 3.698 1.00 0.00 C ATOM 257 CD1 ILE A 16 25.667 3.046 4.355 1.00 0.00 C ATOM 0 H ILE A 16 25.737 2.492 0.874 1.00 0.00 H new ATOM 0 HA ILE A 16 28.599 2.842 1.310 1.00 0.00 H new ATOM 0 HB ILE A 16 26.513 1.191 2.811 1.00 0.00 H new ATOM 0 HG12 ILE A 16 27.483 3.951 3.613 1.00 0.00 H new ATOM 0 HG13 ILE A 16 26.214 3.814 2.411 1.00 0.00 H new ATOM 0 HG21 ILE A 16 28.071 1.473 4.719 1.00 0.00 H new ATOM 0 HG22 ILE A 16 28.864 0.631 3.366 1.00 0.00 H new ATOM 0 HG23 ILE A 16 29.203 2.353 3.665 1.00 0.00 H new ATOM 0 HD11 ILE A 16 25.248 3.996 4.688 1.00 0.00 H new ATOM 0 HD12 ILE A 16 24.868 2.411 3.974 1.00 0.00 H new ATOM 0 HD13 ILE A 16 26.156 2.550 5.194 1.00 0.00 H new ATOM 269 N TYR A 17 27.543 0.046 0.056 1.00 0.00 N ATOM 270 CA TYR A 17 28.013 -1.278 -0.455 1.00 0.00 C ATOM 271 C TYR A 17 29.146 -1.074 -1.471 1.00 0.00 C ATOM 272 O TYR A 17 30.231 -1.603 -1.315 1.00 0.00 O ATOM 273 CB TYR A 17 26.844 -2.008 -1.128 1.00 0.00 C ATOM 274 CG TYR A 17 26.919 -3.485 -0.811 1.00 0.00 C ATOM 275 CD1 TYR A 17 26.404 -3.969 0.397 1.00 0.00 C ATOM 276 CD2 TYR A 17 27.507 -4.368 -1.725 1.00 0.00 C ATOM 277 CE1 TYR A 17 26.478 -5.336 0.692 1.00 0.00 C ATOM 278 CE2 TYR A 17 27.579 -5.735 -1.430 1.00 0.00 C ATOM 279 CZ TYR A 17 27.065 -6.219 -0.222 1.00 0.00 C ATOM 280 OH TYR A 17 27.139 -7.566 0.068 1.00 0.00 O ATOM 0 H TYR A 17 26.608 0.320 -0.246 1.00 0.00 H new ATOM 0 HA TYR A 17 28.385 -1.874 0.378 1.00 0.00 H new ATOM 0 HB2 TYR A 17 25.896 -1.598 -0.778 1.00 0.00 H new ATOM 0 HB3 TYR A 17 26.879 -1.855 -2.207 1.00 0.00 H new ATOM 0 HD1 TYR A 17 25.950 -3.288 1.102 1.00 0.00 H new ATOM 0 HD2 TYR A 17 27.905 -3.995 -2.657 1.00 0.00 H new ATOM 0 HE1 TYR A 17 26.082 -5.709 1.625 1.00 0.00 H new ATOM 0 HE2 TYR A 17 28.032 -6.416 -2.135 1.00 0.00 H new ATOM 0 HH TYR A 17 27.574 -8.037 -0.673 1.00 0.00 H new ATOM 290 N PHE A 18 28.896 -0.319 -2.510 1.00 0.00 N ATOM 291 CA PHE A 18 29.949 -0.083 -3.549 1.00 0.00 C ATOM 292 C PHE A 18 31.081 0.779 -2.969 1.00 0.00 C ATOM 293 O PHE A 18 32.204 0.736 -3.435 1.00 0.00 O ATOM 294 CB PHE A 18 29.313 0.641 -4.748 1.00 0.00 C ATOM 295 CG PHE A 18 29.602 -0.116 -6.024 1.00 0.00 C ATOM 296 CD1 PHE A 18 30.926 -0.373 -6.402 1.00 0.00 C ATOM 297 CD2 PHE A 18 28.546 -0.556 -6.831 1.00 0.00 C ATOM 298 CE1 PHE A 18 31.193 -1.071 -7.586 1.00 0.00 C ATOM 299 CE2 PHE A 18 28.813 -1.255 -8.015 1.00 0.00 C ATOM 300 CZ PHE A 18 30.136 -1.511 -8.393 1.00 0.00 C ATOM 0 H PHE A 18 28.006 0.147 -2.686 1.00 0.00 H new ATOM 0 HA PHE A 18 30.364 -1.039 -3.868 1.00 0.00 H new ATOM 0 HB2 PHE A 18 28.236 0.726 -4.602 1.00 0.00 H new ATOM 0 HB3 PHE A 18 29.706 1.655 -4.821 1.00 0.00 H new ATOM 0 HD1 PHE A 18 31.741 -0.033 -5.780 1.00 0.00 H new ATOM 0 HD2 PHE A 18 27.525 -0.356 -6.540 1.00 0.00 H new ATOM 0 HE1 PHE A 18 32.214 -1.270 -7.877 1.00 0.00 H new ATOM 0 HE2 PHE A 18 27.998 -1.596 -8.636 1.00 0.00 H new ATOM 0 HZ PHE A 18 30.342 -2.048 -9.307 1.00 0.00 H new ATOM 310 N ALA A 19 30.787 1.567 -1.969 1.00 0.00 N ATOM 311 CA ALA A 19 31.829 2.449 -1.359 1.00 0.00 C ATOM 312 C ALA A 19 32.901 1.610 -0.657 1.00 0.00 C ATOM 313 O ALA A 19 34.080 1.749 -0.909 1.00 0.00 O ATOM 314 CB ALA A 19 31.162 3.355 -0.330 1.00 0.00 C ATOM 0 H ALA A 19 29.862 1.639 -1.544 1.00 0.00 H new ATOM 0 HA ALA A 19 32.300 3.038 -2.146 1.00 0.00 H new ATOM 0 HB1 ALA A 19 31.911 4.004 0.123 1.00 0.00 H new ATOM 0 HB2 ALA A 19 30.402 3.964 -0.820 1.00 0.00 H new ATOM 0 HB3 ALA A 19 30.695 2.745 0.443 1.00 0.00 H new ATOM 320 N ALA A 20 32.491 0.758 0.240 1.00 0.00 N ATOM 321 CA ALA A 20 33.459 -0.097 1.004 1.00 0.00 C ATOM 322 C ALA A 20 34.439 -0.809 0.072 1.00 0.00 C ATOM 323 O ALA A 20 35.631 -0.845 0.315 1.00 0.00 O ATOM 324 CB ALA A 20 32.674 -1.162 1.760 1.00 0.00 C ATOM 0 H ALA A 20 31.512 0.611 0.484 1.00 0.00 H new ATOM 0 HA ALA A 20 34.022 0.548 1.679 1.00 0.00 H new ATOM 0 HB1 ALA A 20 33.364 -1.793 2.321 1.00 0.00 H new ATOM 0 HB2 ALA A 20 31.979 -0.681 2.449 1.00 0.00 H new ATOM 0 HB3 ALA A 20 32.117 -1.775 1.051 1.00 0.00 H new ATOM 330 N LEU A 21 33.931 -1.412 -0.959 1.00 0.00 N ATOM 331 CA LEU A 21 34.807 -2.176 -1.902 1.00 0.00 C ATOM 332 C LEU A 21 35.463 -1.255 -2.940 1.00 0.00 C ATOM 333 O LEU A 21 36.394 -1.648 -3.605 1.00 0.00 O ATOM 334 CB LEU A 21 33.963 -3.224 -2.627 1.00 0.00 C ATOM 335 CG LEU A 21 33.917 -4.503 -1.790 1.00 0.00 C ATOM 336 CD1 LEU A 21 32.796 -4.393 -0.756 1.00 0.00 C ATOM 337 CD2 LEU A 21 33.650 -5.700 -2.704 1.00 0.00 C ATOM 0 H LEU A 21 32.939 -1.413 -1.197 1.00 0.00 H new ATOM 0 HA LEU A 21 35.599 -2.650 -1.322 1.00 0.00 H new ATOM 0 HB2 LEU A 21 32.954 -2.846 -2.790 1.00 0.00 H new ATOM 0 HB3 LEU A 21 34.387 -3.433 -3.609 1.00 0.00 H new ATOM 0 HG LEU A 21 34.871 -4.640 -1.281 1.00 0.00 H new ATOM 0 HD11 LEU A 21 32.762 -5.304 -0.158 1.00 0.00 H new ATOM 0 HD12 LEU A 21 32.984 -3.539 -0.105 1.00 0.00 H new ATOM 0 HD13 LEU A 21 31.842 -4.258 -1.266 1.00 0.00 H new ATOM 0 HD21 LEU A 21 33.617 -6.612 -2.108 1.00 0.00 H new ATOM 0 HD22 LEU A 21 32.695 -5.564 -3.212 1.00 0.00 H new ATOM 0 HD23 LEU A 21 34.447 -5.778 -3.443 1.00 0.00 H new ATOM 349 N SER A 22 34.987 -0.046 -3.100 1.00 0.00 N ATOM 350 CA SER A 22 35.591 0.876 -4.122 1.00 0.00 C ATOM 351 C SER A 22 37.126 0.962 -3.961 1.00 0.00 C ATOM 352 O SER A 22 37.847 0.767 -4.919 1.00 0.00 O ATOM 353 CB SER A 22 34.975 2.271 -3.970 1.00 0.00 C ATOM 354 OG SER A 22 34.491 2.710 -5.233 1.00 0.00 O ATOM 0 H SER A 22 34.208 0.346 -2.571 1.00 0.00 H new ATOM 0 HA SER A 22 35.378 0.480 -5.115 1.00 0.00 H new ATOM 0 HB2 SER A 22 34.162 2.245 -3.245 1.00 0.00 H new ATOM 0 HB3 SER A 22 35.719 2.971 -3.589 1.00 0.00 H new ATOM 0 HG SER A 22 34.095 3.601 -5.140 1.00 0.00 H new ATOM 360 N PRO A 23 37.585 1.253 -2.762 1.00 0.00 N ATOM 361 CA PRO A 23 39.042 1.384 -2.400 1.00 0.00 C ATOM 362 C PRO A 23 39.684 0.009 -2.239 1.00 0.00 C ATOM 363 O PRO A 23 40.645 -0.325 -2.902 1.00 0.00 O ATOM 364 CB PRO A 23 39.077 2.125 -1.075 1.00 0.00 C ATOM 365 CG PRO A 23 37.741 1.895 -0.414 1.00 0.00 C ATOM 366 CD PRO A 23 36.764 1.508 -1.519 1.00 0.00 C ATOM 0 HA PRO A 23 39.594 1.911 -3.178 1.00 0.00 H new ATOM 0 HB2 PRO A 23 39.888 1.756 -0.447 1.00 0.00 H new ATOM 0 HB3 PRO A 23 39.253 3.189 -1.231 1.00 0.00 H new ATOM 0 HG2 PRO A 23 37.811 1.106 0.334 1.00 0.00 H new ATOM 0 HG3 PRO A 23 37.405 2.794 0.102 1.00 0.00 H new ATOM 0 HD2 PRO A 23 36.199 0.619 -1.240 1.00 0.00 H new ATOM 0 HD3 PRO A 23 36.040 2.305 -1.691 1.00 0.00 H new ATOM 374 N ALA A 24 39.159 -0.777 -1.342 1.00 0.00 N ATOM 375 CA ALA A 24 39.711 -2.149 -1.077 1.00 0.00 C ATOM 376 C ALA A 24 39.988 -2.910 -2.384 1.00 0.00 C ATOM 377 O ALA A 24 40.841 -3.777 -2.434 1.00 0.00 O ATOM 378 CB ALA A 24 38.695 -2.941 -0.255 1.00 0.00 C ATOM 0 H ALA A 24 38.355 -0.528 -0.767 1.00 0.00 H new ATOM 0 HA ALA A 24 40.652 -2.039 -0.538 1.00 0.00 H new ATOM 0 HB1 ALA A 24 39.086 -3.939 -0.057 1.00 0.00 H new ATOM 0 HB2 ALA A 24 38.513 -2.429 0.690 1.00 0.00 H new ATOM 0 HB3 ALA A 24 37.761 -3.021 -0.811 1.00 0.00 H new ATOM 384 N ILE A 25 39.269 -2.599 -3.430 1.00 0.00 N ATOM 385 CA ILE A 25 39.480 -3.307 -4.726 1.00 0.00 C ATOM 386 C ILE A 25 40.646 -2.634 -5.481 1.00 0.00 C ATOM 387 O ILE A 25 41.535 -3.302 -5.978 1.00 0.00 O ATOM 388 CB ILE A 25 38.147 -3.276 -5.535 1.00 0.00 C ATOM 389 CG1 ILE A 25 37.301 -4.516 -5.183 1.00 0.00 C ATOM 390 CG2 ILE A 25 38.398 -3.295 -7.054 1.00 0.00 C ATOM 391 CD1 ILE A 25 37.020 -4.589 -3.675 1.00 0.00 C ATOM 0 H ILE A 25 38.543 -1.883 -3.442 1.00 0.00 H new ATOM 0 HA ILE A 25 39.750 -4.351 -4.570 1.00 0.00 H new ATOM 0 HB ILE A 25 37.630 -2.354 -5.271 1.00 0.00 H new ATOM 0 HG12 ILE A 25 36.359 -4.483 -5.730 1.00 0.00 H new ATOM 0 HG13 ILE A 25 37.823 -5.418 -5.502 1.00 0.00 H new ATOM 0 HG21 ILE A 25 37.444 -3.272 -7.581 1.00 0.00 H new ATOM 0 HG22 ILE A 25 38.989 -2.424 -7.336 1.00 0.00 H new ATOM 0 HG23 ILE A 25 38.939 -4.202 -7.322 1.00 0.00 H new ATOM 0 HD11 ILE A 25 36.422 -5.474 -3.459 1.00 0.00 H new ATOM 0 HD12 ILE A 25 37.963 -4.647 -3.132 1.00 0.00 H new ATOM 0 HD13 ILE A 25 36.476 -3.698 -3.363 1.00 0.00 H new ATOM 403 N THR A 26 40.644 -1.327 -5.572 1.00 0.00 N ATOM 404 CA THR A 26 41.744 -0.621 -6.297 1.00 0.00 C ATOM 405 C THR A 26 42.955 -0.453 -5.374 1.00 0.00 C ATOM 406 O THR A 26 43.988 -1.064 -5.579 1.00 0.00 O ATOM 407 CB THR A 26 41.251 0.754 -6.759 1.00 0.00 C ATOM 408 OG1 THR A 26 39.962 0.618 -7.340 1.00 0.00 O ATOM 409 CG2 THR A 26 42.224 1.327 -7.793 1.00 0.00 C ATOM 0 H THR A 26 39.928 -0.719 -5.175 1.00 0.00 H new ATOM 0 HA THR A 26 42.039 -1.211 -7.165 1.00 0.00 H new ATOM 0 HB THR A 26 41.197 1.429 -5.905 1.00 0.00 H new ATOM 0 HG1 THR A 26 39.281 0.656 -6.637 1.00 0.00 H new ATOM 0 HG21 THR A 26 41.872 2.305 -8.121 1.00 0.00 H new ATOM 0 HG22 THR A 26 43.213 1.428 -7.345 1.00 0.00 H new ATOM 0 HG23 THR A 26 42.281 0.656 -8.650 1.00 0.00 H new ATOM 417 N PHE A 27 42.839 0.373 -4.364 1.00 0.00 N ATOM 418 CA PHE A 27 43.983 0.587 -3.430 1.00 0.00 C ATOM 419 C PHE A 27 44.164 -0.650 -2.541 1.00 0.00 C ATOM 420 O PHE A 27 45.022 -1.477 -2.787 1.00 0.00 O ATOM 421 CB PHE A 27 43.702 1.816 -2.560 1.00 0.00 C ATOM 422 CG PHE A 27 43.947 3.072 -3.365 1.00 0.00 C ATOM 423 CD1 PHE A 27 45.255 3.530 -3.573 1.00 0.00 C ATOM 424 CD2 PHE A 27 42.865 3.779 -3.906 1.00 0.00 C ATOM 425 CE1 PHE A 27 45.480 4.693 -4.320 1.00 0.00 C ATOM 426 CE2 PHE A 27 43.091 4.942 -4.652 1.00 0.00 C ATOM 427 CZ PHE A 27 44.398 5.399 -4.859 1.00 0.00 C ATOM 0 H PHE A 27 41.999 0.909 -4.147 1.00 0.00 H new ATOM 0 HA PHE A 27 44.896 0.749 -4.003 1.00 0.00 H new ATOM 0 HB2 PHE A 27 42.672 1.795 -2.204 1.00 0.00 H new ATOM 0 HB3 PHE A 27 44.344 1.805 -1.679 1.00 0.00 H new ATOM 0 HD1 PHE A 27 46.090 2.986 -3.157 1.00 0.00 H new ATOM 0 HD2 PHE A 27 41.856 3.427 -3.747 1.00 0.00 H new ATOM 0 HE1 PHE A 27 46.488 5.045 -4.480 1.00 0.00 H new ATOM 0 HE2 PHE A 27 42.257 5.487 -5.068 1.00 0.00 H new ATOM 0 HZ PHE A 27 44.572 6.296 -5.435 1.00 0.00 H new ATOM 437 N GLY A 28 43.360 -0.783 -1.514 1.00 0.00 N ATOM 438 CA GLY A 28 43.477 -1.962 -0.606 1.00 0.00 C ATOM 439 C GLY A 28 44.633 -1.750 0.373 1.00 0.00 C ATOM 440 O GLY A 28 45.787 -1.734 -0.015 1.00 0.00 O ATOM 0 H GLY A 28 42.625 -0.121 -1.266 1.00 0.00 H new ATOM 0 HA2 GLY A 28 42.546 -2.104 -0.058 1.00 0.00 H new ATOM 0 HA3 GLY A 28 43.644 -2.867 -1.190 1.00 0.00 H new ATOM 444 N GLY A 29 44.333 -1.593 1.640 1.00 0.00 N ATOM 445 CA GLY A 29 45.414 -1.387 2.647 1.00 0.00 C ATOM 446 C GLY A 29 44.856 -0.686 3.889 1.00 0.00 C ATOM 447 O GLY A 29 45.031 -1.150 5.000 1.00 0.00 O ATOM 0 H GLY A 29 43.385 -1.599 2.017 1.00 0.00 H new ATOM 0 HA2 GLY A 29 45.848 -2.347 2.927 1.00 0.00 H new ATOM 0 HA3 GLY A 29 46.216 -0.790 2.213 1.00 0.00 H new ATOM 451 N LEU A 30 44.201 0.434 3.712 1.00 0.00 N ATOM 452 CA LEU A 30 43.648 1.176 4.885 1.00 0.00 C ATOM 453 C LEU A 30 42.570 0.342 5.587 1.00 0.00 C ATOM 454 O LEU A 30 42.305 0.531 6.760 1.00 0.00 O ATOM 455 CB LEU A 30 43.043 2.503 4.416 1.00 0.00 C ATOM 456 CG LEU A 30 41.989 2.243 3.328 1.00 0.00 C ATOM 457 CD1 LEU A 30 40.587 2.443 3.909 1.00 0.00 C ATOM 458 CD2 LEU A 30 42.198 3.221 2.165 1.00 0.00 C ATOM 0 H LEU A 30 44.025 0.866 2.805 1.00 0.00 H new ATOM 0 HA LEU A 30 44.457 1.370 5.589 1.00 0.00 H new ATOM 0 HB2 LEU A 30 42.587 3.023 5.259 1.00 0.00 H new ATOM 0 HB3 LEU A 30 43.827 3.153 4.027 1.00 0.00 H new ATOM 0 HG LEU A 30 42.092 1.219 2.968 1.00 0.00 H new ATOM 0 HD11 LEU A 30 39.842 2.258 3.135 1.00 0.00 H new ATOM 0 HD12 LEU A 30 40.433 1.748 4.734 1.00 0.00 H new ATOM 0 HD13 LEU A 30 40.486 3.466 4.272 1.00 0.00 H new ATOM 0 HD21 LEU A 30 41.450 3.035 1.394 1.00 0.00 H new ATOM 0 HD22 LEU A 30 42.099 4.244 2.528 1.00 0.00 H new ATOM 0 HD23 LEU A 30 43.194 3.080 1.745 1.00 0.00 H new ATOM 470 N LEU A 31 41.946 -0.577 4.888 1.00 0.00 N ATOM 471 CA LEU A 31 40.884 -1.419 5.528 1.00 0.00 C ATOM 472 C LEU A 31 41.471 -2.159 6.733 1.00 0.00 C ATOM 473 O LEU A 31 40.994 -2.028 7.846 1.00 0.00 O ATOM 474 CB LEU A 31 40.353 -2.436 4.517 1.00 0.00 C ATOM 475 CG LEU A 31 39.083 -3.085 5.071 1.00 0.00 C ATOM 476 CD1 LEU A 31 37.936 -2.073 5.032 1.00 0.00 C ATOM 477 CD2 LEU A 31 38.718 -4.301 4.216 1.00 0.00 C ATOM 0 H LEU A 31 42.125 -0.780 3.905 1.00 0.00 H new ATOM 0 HA LEU A 31 40.068 -0.776 5.858 1.00 0.00 H new ATOM 0 HB2 LEU A 31 40.140 -1.945 3.568 1.00 0.00 H new ATOM 0 HB3 LEU A 31 41.108 -3.197 4.319 1.00 0.00 H new ATOM 0 HG LEU A 31 39.255 -3.402 6.100 1.00 0.00 H new ATOM 0 HD11 LEU A 31 37.030 -2.534 5.426 1.00 0.00 H new ATOM 0 HD12 LEU A 31 38.195 -1.205 5.639 1.00 0.00 H new ATOM 0 HD13 LEU A 31 37.764 -1.758 4.003 1.00 0.00 H new ATOM 0 HD21 LEU A 31 37.813 -4.764 4.610 1.00 0.00 H new ATOM 0 HD22 LEU A 31 38.545 -3.984 3.188 1.00 0.00 H new ATOM 0 HD23 LEU A 31 39.535 -5.022 4.241 1.00 0.00 H new ATOM 489 N GLY A 32 42.507 -2.926 6.517 1.00 0.00 N ATOM 490 CA GLY A 32 43.141 -3.670 7.649 1.00 0.00 C ATOM 491 C GLY A 32 43.716 -5.007 7.167 1.00 0.00 C ATOM 492 O GLY A 32 43.664 -5.996 7.874 1.00 0.00 O ATOM 0 H GLY A 32 42.943 -3.070 5.606 1.00 0.00 H new ATOM 0 HA2 GLY A 32 43.934 -3.065 8.089 1.00 0.00 H new ATOM 0 HA3 GLY A 32 42.404 -3.847 8.432 1.00 0.00 H new ATOM 496 N GLU A 33 44.272 -5.045 5.982 1.00 0.00 N ATOM 497 CA GLU A 33 44.860 -6.316 5.467 1.00 0.00 C ATOM 498 C GLU A 33 46.342 -6.382 5.842 1.00 0.00 C ATOM 499 O GLU A 33 46.801 -7.337 6.440 1.00 0.00 O ATOM 500 CB GLU A 33 44.718 -6.372 3.946 1.00 0.00 C ATOM 501 CG GLU A 33 45.165 -7.747 3.447 1.00 0.00 C ATOM 502 CD GLU A 33 44.914 -7.851 1.942 1.00 0.00 C ATOM 503 OE1 GLU A 33 45.319 -6.947 1.230 1.00 0.00 O ATOM 504 OE2 GLU A 33 44.322 -8.833 1.527 1.00 0.00 O ATOM 0 H GLU A 33 44.343 -4.248 5.349 1.00 0.00 H new ATOM 0 HA GLU A 33 44.333 -7.161 5.910 1.00 0.00 H new ATOM 0 HB2 GLU A 33 43.683 -6.187 3.659 1.00 0.00 H new ATOM 0 HB3 GLU A 33 45.322 -5.591 3.484 1.00 0.00 H new ATOM 0 HG2 GLU A 33 46.223 -7.897 3.661 1.00 0.00 H new ATOM 0 HG3 GLU A 33 44.620 -8.531 3.972 1.00 0.00 H new ATOM 511 N LYS A 34 47.091 -5.370 5.486 1.00 0.00 N ATOM 512 CA LYS A 34 48.546 -5.354 5.805 1.00 0.00 C ATOM 513 C LYS A 34 48.920 -4.005 6.425 1.00 0.00 C ATOM 514 O LYS A 34 48.031 -3.342 6.934 1.00 0.00 O ATOM 515 CB LYS A 34 49.355 -5.569 4.522 1.00 0.00 C ATOM 516 CG LYS A 34 48.896 -4.578 3.447 1.00 0.00 C ATOM 517 CD LYS A 34 49.506 -4.969 2.099 1.00 0.00 C ATOM 518 CE LYS A 34 49.681 -3.720 1.231 1.00 0.00 C ATOM 519 NZ LYS A 34 49.497 -4.079 -0.205 1.00 0.00 N ATOM 520 OXT LYS A 34 50.089 -3.659 6.381 1.00 0.00 O ATOM 0 H LYS A 34 46.752 -4.549 4.984 1.00 0.00 H new ATOM 0 HA LYS A 34 48.770 -6.153 6.512 1.00 0.00 H new ATOM 0 HB2 LYS A 34 50.418 -5.434 4.724 1.00 0.00 H new ATOM 0 HB3 LYS A 34 49.226 -6.591 4.166 1.00 0.00 H new ATOM 0 HG2 LYS A 34 47.808 -4.577 3.379 1.00 0.00 H new ATOM 0 HG3 LYS A 34 49.200 -3.566 3.716 1.00 0.00 H new ATOM 0 HD2 LYS A 34 50.469 -5.455 2.252 1.00 0.00 H new ATOM 0 HD3 LYS A 34 48.863 -5.689 1.593 1.00 0.00 H new ATOM 0 HE2 LYS A 34 48.957 -2.959 1.522 1.00 0.00 H new ATOM 0 HE3 LYS A 34 50.672 -3.293 1.386 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 49.616 -3.230 -0.793 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 50.204 -4.791 -0.478 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 48.542 -4.467 -0.346 1.00 0.00 H new TER 534 LYS A 34