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 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 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 180:sc= 0 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- HETATM 1 C ACE A 1 6.082 8.083 -9.405 1.00 0.00 C HETATM 2 O ACE A 1 6.673 8.916 -8.745 1.00 0.00 O HETATM 3 CH3 ACE A 1 5.903 8.252 -10.914 1.00 0.00 C HETATM 0 H1 ACE A 1 6.370 7.414 -11.432 1.00 0.00 H new HETATM 0 H2 ACE A 1 4.840 8.279 -11.153 1.00 0.00 H new HETATM 0 H3 ACE A 1 6.371 9.183 -11.234 1.00 0.00 H new ATOM 7 N ARG A 2 5.573 7.009 -8.857 1.00 0.00 N ATOM 8 CA ARG A 2 5.707 6.777 -7.389 1.00 0.00 C ATOM 9 C ARG A 2 7.184 6.611 -7.030 1.00 0.00 C ATOM 10 O ARG A 2 7.617 6.991 -5.959 1.00 0.00 O ATOM 11 CB ARG A 2 4.944 5.508 -7.000 1.00 0.00 C ATOM 12 CG ARG A 2 3.470 5.657 -7.383 1.00 0.00 C ATOM 13 CD ARG A 2 2.907 4.293 -7.789 1.00 0.00 C ATOM 14 NE ARG A 2 2.837 3.407 -6.593 1.00 0.00 N ATOM 15 CZ ARG A 2 3.100 2.133 -6.708 1.00 0.00 C ATOM 16 NH1 ARG A 2 2.478 1.416 -7.603 1.00 0.00 N ATOM 17 NH2 ARG A 2 3.985 1.577 -5.925 1.00 0.00 N ATOM 0 H ARG A 2 5.069 6.282 -9.365 1.00 0.00 H new ATOM 0 HA ARG A 2 5.295 7.630 -6.849 1.00 0.00 H new ATOM 0 HB2 ARG A 2 5.375 4.643 -7.504 1.00 0.00 H new ATOM 0 HB3 ARG A 2 5.036 5.331 -5.928 1.00 0.00 H new ATOM 0 HG2 ARG A 2 2.904 6.060 -6.543 1.00 0.00 H new ATOM 0 HG3 ARG A 2 3.367 6.364 -8.206 1.00 0.00 H new ATOM 0 HD2 ARG A 2 1.915 4.412 -8.225 1.00 0.00 H new ATOM 0 HD3 ARG A 2 3.538 3.840 -8.553 1.00 0.00 H new ATOM 0 HE ARG A 2 2.584 3.796 -5.685 1.00 0.00 H new ATOM 0 HH11 ARG A 2 1.786 1.850 -8.213 1.00 0.00 H new ATOM 0 HH12 ARG A 2 2.684 0.421 -7.692 1.00 0.00 H new ATOM 0 HH21 ARG A 2 4.470 2.138 -5.224 1.00 0.00 H new ATOM 0 HH22 ARG A 2 4.191 0.582 -6.014 1.00 0.00 H new ATOM 31 N TYR A 3 7.962 6.042 -7.920 1.00 0.00 N ATOM 32 CA TYR A 3 9.418 5.836 -7.651 1.00 0.00 C ATOM 33 C TYR A 3 9.609 5.140 -6.286 1.00 0.00 C ATOM 34 O TYR A 3 10.136 5.729 -5.361 1.00 0.00 O ATOM 35 CB TYR A 3 10.113 7.194 -7.655 1.00 0.00 C ATOM 36 CG TYR A 3 10.195 7.707 -9.073 1.00 0.00 C ATOM 37 CD1 TYR A 3 10.987 7.040 -10.015 1.00 0.00 C ATOM 38 CD2 TYR A 3 9.477 8.850 -9.445 1.00 0.00 C ATOM 39 CE1 TYR A 3 11.060 7.516 -11.330 1.00 0.00 C ATOM 40 CE2 TYR A 3 9.550 9.326 -10.759 1.00 0.00 C ATOM 41 CZ TYR A 3 10.342 8.659 -11.701 1.00 0.00 C ATOM 42 OH TYR A 3 10.414 9.128 -12.997 1.00 0.00 O ATOM 0 H TYR A 3 7.645 5.709 -8.830 1.00 0.00 H new ATOM 0 HA TYR A 3 9.852 5.201 -8.423 1.00 0.00 H new ATOM 0 HB2 TYR A 3 9.563 7.899 -7.032 1.00 0.00 H new ATOM 0 HB3 TYR A 3 11.113 7.105 -7.229 1.00 0.00 H new ATOM 0 HD1 TYR A 3 11.541 6.159 -9.728 1.00 0.00 H new ATOM 0 HD2 TYR A 3 8.867 9.365 -8.718 1.00 0.00 H new ATOM 0 HE1 TYR A 3 11.670 7.001 -12.058 1.00 0.00 H new ATOM 0 HE2 TYR A 3 8.996 10.207 -11.046 1.00 0.00 H new ATOM 0 HH TYR A 3 9.855 9.928 -13.087 1.00 0.00 H new ATOM 52 N PRO A 4 9.156 3.906 -6.197 1.00 0.00 N ATOM 53 CA PRO A 4 9.209 3.039 -4.974 1.00 0.00 C ATOM 54 C PRO A 4 10.514 2.235 -4.922 1.00 0.00 C ATOM 55 O PRO A 4 11.411 2.538 -4.159 1.00 0.00 O ATOM 56 CB PRO A 4 8.008 2.107 -5.098 1.00 0.00 C ATOM 57 CG PRO A 4 7.667 2.027 -6.575 1.00 0.00 C ATOM 58 CD PRO A 4 8.495 3.098 -7.286 1.00 0.00 C ATOM 0 HA PRO A 4 9.179 3.630 -4.059 1.00 0.00 H new ATOM 0 HB2 PRO A 4 8.242 1.119 -4.701 1.00 0.00 H new ATOM 0 HB3 PRO A 4 7.162 2.488 -4.526 1.00 0.00 H new ATOM 0 HG2 PRO A 4 7.896 1.037 -6.970 1.00 0.00 H new ATOM 0 HG3 PRO A 4 6.602 2.195 -6.734 1.00 0.00 H new ATOM 0 HD2 PRO A 4 9.239 2.645 -7.941 1.00 0.00 H new ATOM 0 HD3 PRO A 4 7.863 3.729 -7.910 1.00 0.00 H new ATOM 66 N TYR A 5 10.616 1.205 -5.722 1.00 0.00 N ATOM 67 CA TYR A 5 11.846 0.354 -5.732 1.00 0.00 C ATOM 68 C TYR A 5 13.097 1.210 -5.975 1.00 0.00 C ATOM 69 O TYR A 5 14.196 0.812 -5.643 1.00 0.00 O ATOM 70 CB TYR A 5 11.719 -0.689 -6.843 1.00 0.00 C ATOM 71 CG TYR A 5 12.641 -1.850 -6.562 1.00 0.00 C ATOM 72 CD1 TYR A 5 12.308 -2.789 -5.578 1.00 0.00 C ATOM 73 CD2 TYR A 5 13.828 -1.990 -7.290 1.00 0.00 C ATOM 74 CE1 TYR A 5 13.163 -3.869 -5.323 1.00 0.00 C ATOM 75 CE2 TYR A 5 14.684 -3.069 -7.034 1.00 0.00 C ATOM 76 CZ TYR A 5 14.351 -4.008 -6.050 1.00 0.00 C ATOM 77 OH TYR A 5 15.192 -5.073 -5.800 1.00 0.00 O ATOM 0 H TYR A 5 9.891 0.913 -6.377 1.00 0.00 H new ATOM 0 HA TYR A 5 11.946 -0.136 -4.764 1.00 0.00 H new ATOM 0 HB2 TYR A 5 10.689 -1.039 -6.910 1.00 0.00 H new ATOM 0 HB3 TYR A 5 11.967 -0.241 -7.805 1.00 0.00 H new ATOM 0 HD1 TYR A 5 11.392 -2.681 -5.016 1.00 0.00 H new ATOM 0 HD2 TYR A 5 14.084 -1.266 -8.049 1.00 0.00 H new ATOM 0 HE1 TYR A 5 12.906 -4.594 -4.565 1.00 0.00 H new ATOM 0 HE2 TYR A 5 15.600 -3.177 -7.595 1.00 0.00 H new ATOM 0 HH TYR A 5 15.971 -5.021 -6.392 1.00 0.00 H new ATOM 87 N TYR A 6 12.943 2.377 -6.554 1.00 0.00 N ATOM 88 CA TYR A 6 14.124 3.254 -6.820 1.00 0.00 C ATOM 89 C TYR A 6 14.817 3.609 -5.501 1.00 0.00 C ATOM 90 O TYR A 6 16.021 3.497 -5.370 1.00 0.00 O ATOM 91 CB TYR A 6 13.651 4.538 -7.504 1.00 0.00 C ATOM 92 CG TYR A 6 14.762 5.104 -8.356 1.00 0.00 C ATOM 93 CD1 TYR A 6 14.993 4.589 -9.637 1.00 0.00 C ATOM 94 CD2 TYR A 6 15.558 6.147 -7.867 1.00 0.00 C ATOM 95 CE1 TYR A 6 16.020 5.118 -10.429 1.00 0.00 C ATOM 96 CE2 TYR A 6 16.584 6.676 -8.659 1.00 0.00 C ATOM 97 CZ TYR A 6 16.815 6.161 -9.941 1.00 0.00 C ATOM 98 OH TYR A 6 17.826 6.682 -10.722 1.00 0.00 O ATOM 0 H TYR A 6 12.046 2.760 -6.854 1.00 0.00 H new ATOM 0 HA TYR A 6 14.828 2.727 -7.464 1.00 0.00 H new ATOM 0 HB2 TYR A 6 12.777 4.331 -8.121 1.00 0.00 H new ATOM 0 HB3 TYR A 6 13.347 5.269 -6.755 1.00 0.00 H new ATOM 0 HD1 TYR A 6 14.380 3.784 -10.014 1.00 0.00 H new ATOM 0 HD2 TYR A 6 15.380 6.544 -6.878 1.00 0.00 H new ATOM 0 HE1 TYR A 6 16.198 4.721 -11.417 1.00 0.00 H new ATOM 0 HE2 TYR A 6 17.197 7.481 -8.282 1.00 0.00 H new ATOM 0 HH TYR A 6 18.280 7.400 -10.233 1.00 0.00 H new ATOM 108 N LEU A 7 14.060 4.044 -4.529 1.00 0.00 N ATOM 109 CA LEU A 7 14.654 4.424 -3.211 1.00 0.00 C ATOM 110 C LEU A 7 15.160 3.173 -2.485 1.00 0.00 C ATOM 111 O LEU A 7 16.228 3.177 -1.903 1.00 0.00 O ATOM 112 CB LEU A 7 13.586 5.117 -2.359 1.00 0.00 C ATOM 113 CG LEU A 7 14.237 5.757 -1.121 1.00 0.00 C ATOM 114 CD1 LEU A 7 13.700 7.178 -0.932 1.00 0.00 C ATOM 115 CD2 LEU A 7 13.908 4.924 0.122 1.00 0.00 C ATOM 0 H LEU A 7 13.048 4.154 -4.591 1.00 0.00 H new ATOM 0 HA LEU A 7 15.492 5.102 -3.373 1.00 0.00 H new ATOM 0 HB2 LEU A 7 13.077 5.880 -2.948 1.00 0.00 H new ATOM 0 HB3 LEU A 7 12.830 4.395 -2.051 1.00 0.00 H new ATOM 0 HG LEU A 7 15.317 5.791 -1.263 1.00 0.00 H new ATOM 0 HD11 LEU A 7 14.163 7.628 -0.054 1.00 0.00 H new ATOM 0 HD12 LEU A 7 13.934 7.776 -1.813 1.00 0.00 H new ATOM 0 HD13 LEU A 7 12.619 7.143 -0.794 1.00 0.00 H new ATOM 0 HD21 LEU A 7 14.370 5.379 0.998 1.00 0.00 H new ATOM 0 HD22 LEU A 7 12.827 4.887 0.260 1.00 0.00 H new ATOM 0 HD23 LEU A 7 14.292 3.912 -0.006 1.00 0.00 H new ATOM 127 N SER A 8 14.399 2.107 -2.511 1.00 0.00 N ATOM 128 CA SER A 8 14.828 0.853 -1.819 1.00 0.00 C ATOM 129 C SER A 8 16.156 0.356 -2.405 1.00 0.00 C ATOM 130 O SER A 8 16.927 -0.305 -1.735 1.00 0.00 O ATOM 131 CB SER A 8 13.753 -0.219 -2.007 1.00 0.00 C ATOM 132 OG SER A 8 13.642 -0.989 -0.816 1.00 0.00 O ATOM 0 H SER A 8 13.497 2.051 -2.983 1.00 0.00 H new ATOM 0 HA SER A 8 14.964 1.057 -0.757 1.00 0.00 H new ATOM 0 HB2 SER A 8 12.796 0.247 -2.243 1.00 0.00 H new ATOM 0 HB3 SER A 8 14.009 -0.864 -2.848 1.00 0.00 H new ATOM 0 HG SER A 8 12.953 -1.676 -0.933 1.00 0.00 H new ATOM 138 N ASP A 9 16.426 0.672 -3.647 1.00 0.00 N ATOM 139 CA ASP A 9 17.702 0.224 -4.279 1.00 0.00 C ATOM 140 C ASP A 9 18.874 0.930 -3.600 1.00 0.00 C ATOM 141 O ASP A 9 19.926 0.354 -3.397 1.00 0.00 O ATOM 142 CB ASP A 9 17.688 0.579 -5.768 1.00 0.00 C ATOM 143 CG ASP A 9 17.106 -0.589 -6.567 1.00 0.00 C ATOM 144 OD1 ASP A 9 17.623 -1.686 -6.438 1.00 0.00 O ATOM 145 OD2 ASP A 9 16.153 -0.365 -7.295 1.00 0.00 O ATOM 0 H ASP A 9 15.815 1.222 -4.251 1.00 0.00 H new ATOM 0 HA ASP A 9 17.807 -0.855 -4.165 1.00 0.00 H new ATOM 0 HB2 ASP A 9 17.094 1.478 -5.933 1.00 0.00 H new ATOM 0 HB3 ASP A 9 18.699 0.799 -6.110 1.00 0.00 H new ATOM 150 N ILE A 10 18.692 2.175 -3.245 1.00 0.00 N ATOM 151 CA ILE A 10 19.781 2.936 -2.571 1.00 0.00 C ATOM 152 C ILE A 10 19.974 2.387 -1.158 1.00 0.00 C ATOM 153 O ILE A 10 21.083 2.179 -0.709 1.00 0.00 O ATOM 154 CB ILE A 10 19.393 4.415 -2.497 1.00 0.00 C ATOM 155 CG1 ILE A 10 19.033 4.935 -3.901 1.00 0.00 C ATOM 156 CG2 ILE A 10 20.558 5.226 -1.924 1.00 0.00 C ATOM 157 CD1 ILE A 10 20.221 4.774 -4.858 1.00 0.00 C ATOM 0 H ILE A 10 17.830 2.699 -3.395 1.00 0.00 H new ATOM 0 HA ILE A 10 20.709 2.832 -3.134 1.00 0.00 H new ATOM 0 HB ILE A 10 18.526 4.525 -1.846 1.00 0.00 H new ATOM 0 HG12 ILE A 10 18.172 4.389 -4.287 1.00 0.00 H new ATOM 0 HG13 ILE A 10 18.745 5.985 -3.843 1.00 0.00 H new ATOM 0 HG21 ILE A 10 20.278 6.278 -1.873 1.00 0.00 H new ATOM 0 HG22 ILE A 10 20.796 4.865 -0.924 1.00 0.00 H new ATOM 0 HG23 ILE A 10 21.431 5.113 -2.567 1.00 0.00 H new ATOM 0 HD11 ILE A 10 19.947 5.147 -5.845 1.00 0.00 H new ATOM 0 HD12 ILE A 10 21.072 5.340 -4.480 1.00 0.00 H new ATOM 0 HD13 ILE A 10 20.490 3.720 -4.930 1.00 0.00 H new ATOM 169 N THR A 11 18.893 2.148 -0.458 1.00 0.00 N ATOM 170 CA THR A 11 18.991 1.606 0.931 1.00 0.00 C ATOM 171 C THR A 11 19.711 0.252 0.912 1.00 0.00 C ATOM 172 O THR A 11 20.294 -0.160 1.897 1.00 0.00 O ATOM 173 CB THR A 11 17.581 1.428 1.501 1.00 0.00 C ATOM 174 OG1 THR A 11 16.822 2.604 1.254 1.00 0.00 O ATOM 175 CG2 THR A 11 17.659 1.175 3.008 1.00 0.00 C ATOM 0 H THR A 11 17.942 2.306 -0.791 1.00 0.00 H new ATOM 0 HA THR A 11 19.555 2.301 1.553 1.00 0.00 H new ATOM 0 HB THR A 11 17.101 0.575 1.020 1.00 0.00 H new ATOM 0 HG1 THR A 11 15.918 2.492 1.616 1.00 0.00 H new ATOM 0 HG21 THR A 11 16.653 1.049 3.408 1.00 0.00 H new ATOM 0 HG22 THR A 11 18.240 0.272 3.196 1.00 0.00 H new ATOM 0 HG23 THR A 11 18.140 2.023 3.495 1.00 0.00 H new ATOM 183 N ASP A 12 19.676 -0.441 -0.202 1.00 0.00 N ATOM 184 CA ASP A 12 20.359 -1.766 -0.287 1.00 0.00 C ATOM 185 C ASP A 12 21.853 -1.550 -0.538 1.00 0.00 C ATOM 186 O ASP A 12 22.682 -2.322 -0.097 1.00 0.00 O ATOM 187 CB ASP A 12 19.751 -2.581 -1.435 1.00 0.00 C ATOM 188 CG ASP A 12 19.543 -4.030 -0.985 1.00 0.00 C ATOM 189 OD1 ASP A 12 20.507 -4.639 -0.552 1.00 0.00 O ATOM 190 OD2 ASP A 12 18.423 -4.504 -1.081 1.00 0.00 O ATOM 0 H ASP A 12 19.203 -0.144 -1.055 1.00 0.00 H new ATOM 0 HA ASP A 12 20.225 -2.309 0.648 1.00 0.00 H new ATOM 0 HB2 ASP A 12 18.800 -2.145 -1.740 1.00 0.00 H new ATOM 0 HB3 ASP A 12 20.409 -2.551 -2.304 1.00 0.00 H new ATOM 195 N VAL A 13 22.196 -0.502 -1.240 1.00 0.00 N ATOM 196 CA VAL A 13 23.634 -0.219 -1.520 1.00 0.00 C ATOM 197 C VAL A 13 24.303 0.313 -0.245 1.00 0.00 C ATOM 198 O VAL A 13 25.495 0.165 -0.055 1.00 0.00 O ATOM 199 CB VAL A 13 23.736 0.813 -2.644 1.00 0.00 C ATOM 200 CG1 VAL A 13 25.207 1.098 -2.968 1.00 0.00 C ATOM 201 CG2 VAL A 13 23.041 0.265 -3.893 1.00 0.00 C ATOM 0 H VAL A 13 21.539 0.172 -1.633 1.00 0.00 H new ATOM 0 HA VAL A 13 24.141 -1.133 -1.831 1.00 0.00 H new ATOM 0 HB VAL A 13 23.257 1.738 -2.325 1.00 0.00 H new ATOM 0 HG11 VAL A 13 25.267 1.834 -3.770 1.00 0.00 H new ATOM 0 HG12 VAL A 13 25.706 1.487 -2.080 1.00 0.00 H new ATOM 0 HG13 VAL A 13 25.695 0.176 -3.285 1.00 0.00 H new ATOM 0 HG21 VAL A 13 23.110 0.996 -4.698 1.00 0.00 H new ATOM 0 HG22 VAL A 13 23.525 -0.662 -4.202 1.00 0.00 H new ATOM 0 HG23 VAL A 13 21.992 0.070 -3.670 1.00 0.00 H new ATOM 211 N ILE A 14 23.539 0.917 0.634 1.00 0.00 N ATOM 212 CA ILE A 14 24.114 1.446 1.905 1.00 0.00 C ATOM 213 C ILE A 14 24.228 0.293 2.907 1.00 0.00 C ATOM 214 O ILE A 14 25.198 0.173 3.636 1.00 0.00 O ATOM 215 CB ILE A 14 23.181 2.530 2.470 1.00 0.00 C ATOM 216 CG1 ILE A 14 23.014 3.663 1.442 1.00 0.00 C ATOM 217 CG2 ILE A 14 23.753 3.093 3.782 1.00 0.00 C ATOM 218 CD1 ILE A 14 24.368 4.318 1.141 1.00 0.00 C ATOM 0 H ILE A 14 22.536 1.066 0.522 1.00 0.00 H new ATOM 0 HA ILE A 14 25.098 1.878 1.723 1.00 0.00 H new ATOM 0 HB ILE A 14 22.207 2.085 2.674 1.00 0.00 H new ATOM 0 HG12 ILE A 14 22.582 3.267 0.523 1.00 0.00 H new ATOM 0 HG13 ILE A 14 22.319 4.410 1.825 1.00 0.00 H new ATOM 0 HG21 ILE A 14 23.083 3.859 4.172 1.00 0.00 H new ATOM 0 HG22 ILE A 14 23.848 2.289 4.512 1.00 0.00 H new ATOM 0 HG23 ILE A 14 24.734 3.530 3.593 1.00 0.00 H new ATOM 0 HD11 ILE A 14 24.232 5.117 0.412 1.00 0.00 H new ATOM 0 HD12 ILE A 14 24.784 4.732 2.060 1.00 0.00 H new ATOM 0 HD13 ILE A 14 25.052 3.571 0.737 1.00 0.00 H new ATOM 230 N PHE A 15 23.235 -0.555 2.937 1.00 0.00 N ATOM 231 CA PHE A 15 23.243 -1.711 3.873 1.00 0.00 C ATOM 232 C PHE A 15 24.432 -2.622 3.547 1.00 0.00 C ATOM 233 O PHE A 15 25.118 -3.111 4.428 1.00 0.00 O ATOM 234 CB PHE A 15 21.929 -2.477 3.702 1.00 0.00 C ATOM 235 CG PHE A 15 21.436 -2.956 5.046 1.00 0.00 C ATOM 236 CD1 PHE A 15 20.602 -2.136 5.815 1.00 0.00 C ATOM 237 CD2 PHE A 15 21.811 -4.217 5.522 1.00 0.00 C ATOM 238 CE1 PHE A 15 20.143 -2.577 7.062 1.00 0.00 C ATOM 239 CE2 PHE A 15 21.352 -4.659 6.768 1.00 0.00 C ATOM 240 CZ PHE A 15 20.518 -3.839 7.538 1.00 0.00 C ATOM 0 H PHE A 15 22.408 -0.493 2.343 1.00 0.00 H new ATOM 0 HA PHE A 15 23.338 -1.368 4.903 1.00 0.00 H new ATOM 0 HB2 PHE A 15 21.181 -1.834 3.238 1.00 0.00 H new ATOM 0 HB3 PHE A 15 22.077 -3.326 3.035 1.00 0.00 H new ATOM 0 HD1 PHE A 15 20.313 -1.163 5.446 1.00 0.00 H new ATOM 0 HD2 PHE A 15 22.454 -4.849 4.928 1.00 0.00 H new ATOM 0 HE1 PHE A 15 19.500 -1.944 7.656 1.00 0.00 H new ATOM 0 HE2 PHE A 15 21.641 -5.632 7.136 1.00 0.00 H new ATOM 0 HZ PHE A 15 20.164 -4.180 8.500 1.00 0.00 H new ATOM 250 N ILE A 16 24.684 -2.841 2.282 1.00 0.00 N ATOM 251 CA ILE A 16 25.829 -3.704 1.877 1.00 0.00 C ATOM 252 C ILE A 16 27.130 -2.892 2.008 1.00 0.00 C ATOM 253 O ILE A 16 28.193 -3.443 2.204 1.00 0.00 O ATOM 254 CB ILE A 16 25.575 -4.216 0.424 1.00 0.00 C ATOM 255 CG1 ILE A 16 25.635 -5.751 0.406 1.00 0.00 C ATOM 256 CG2 ILE A 16 26.583 -3.659 -0.604 1.00 0.00 C ATOM 257 CD1 ILE A 16 27.030 -6.228 0.826 1.00 0.00 C ATOM 0 H ILE A 16 24.141 -2.456 1.509 1.00 0.00 H new ATOM 0 HA ILE A 16 25.925 -4.578 2.521 1.00 0.00 H new ATOM 0 HB ILE A 16 24.588 -3.857 0.132 1.00 0.00 H new ATOM 0 HG12 ILE A 16 24.884 -6.160 1.081 1.00 0.00 H new ATOM 0 HG13 ILE A 16 25.401 -6.120 -0.593 1.00 0.00 H new ATOM 0 HG21 ILE A 16 26.350 -4.054 -1.593 1.00 0.00 H new ATOM 0 HG22 ILE A 16 26.519 -2.571 -0.624 1.00 0.00 H new ATOM 0 HG23 ILE A 16 27.593 -3.958 -0.322 1.00 0.00 H new ATOM 0 HD11 ILE A 16 27.062 -7.317 0.810 1.00 0.00 H new ATOM 0 HD12 ILE A 16 27.773 -5.833 0.134 1.00 0.00 H new ATOM 0 HD13 ILE A 16 27.248 -5.873 1.833 1.00 0.00 H new ATOM 269 N TYR A 17 27.047 -1.588 1.897 1.00 0.00 N ATOM 270 CA TYR A 17 28.273 -0.739 2.012 1.00 0.00 C ATOM 271 C TYR A 17 28.969 -1.003 3.354 1.00 0.00 C ATOM 272 O TYR A 17 30.182 -0.975 3.446 1.00 0.00 O ATOM 273 CB TYR A 17 27.883 0.741 1.920 1.00 0.00 C ATOM 274 CG TYR A 17 29.135 1.589 1.909 1.00 0.00 C ATOM 275 CD1 TYR A 17 29.796 1.871 3.110 1.00 0.00 C ATOM 276 CD2 TYR A 17 29.636 2.086 0.700 1.00 0.00 C ATOM 277 CE1 TYR A 17 30.959 2.648 3.103 1.00 0.00 C ATOM 278 CE2 TYR A 17 30.799 2.865 0.693 1.00 0.00 C ATOM 279 CZ TYR A 17 31.461 3.146 1.895 1.00 0.00 C ATOM 280 OH TYR A 17 32.608 3.912 1.890 1.00 0.00 O ATOM 0 H TYR A 17 26.181 -1.075 1.731 1.00 0.00 H new ATOM 0 HA TYR A 17 28.956 -0.987 1.200 1.00 0.00 H new ATOM 0 HB2 TYR A 17 27.301 0.920 1.016 1.00 0.00 H new ATOM 0 HB3 TYR A 17 27.252 1.016 2.765 1.00 0.00 H new ATOM 0 HD1 TYR A 17 29.408 1.489 4.042 1.00 0.00 H new ATOM 0 HD2 TYR A 17 29.126 1.869 -0.227 1.00 0.00 H new ATOM 0 HE1 TYR A 17 31.470 2.864 4.030 1.00 0.00 H new ATOM 0 HE2 TYR A 17 31.186 3.249 -0.239 1.00 0.00 H new ATOM 0 HH TYR A 17 32.821 4.177 0.971 1.00 0.00 H new ATOM 290 N PHE A 18 28.209 -1.251 4.392 1.00 0.00 N ATOM 291 CA PHE A 18 28.825 -1.508 5.730 1.00 0.00 C ATOM 292 C PHE A 18 29.198 -2.990 5.865 1.00 0.00 C ATOM 293 O PHE A 18 30.172 -3.333 6.503 1.00 0.00 O ATOM 294 CB PHE A 18 27.830 -1.129 6.833 1.00 0.00 C ATOM 295 CG PHE A 18 28.546 -0.375 7.930 1.00 0.00 C ATOM 296 CD1 PHE A 18 29.585 -0.989 8.641 1.00 0.00 C ATOM 297 CD2 PHE A 18 28.171 0.938 8.234 1.00 0.00 C ATOM 298 CE1 PHE A 18 30.248 -0.287 9.655 1.00 0.00 C ATOM 299 CE2 PHE A 18 28.833 1.639 9.248 1.00 0.00 C ATOM 300 CZ PHE A 18 29.872 1.027 9.959 1.00 0.00 C ATOM 0 H PHE A 18 27.190 -1.287 4.371 1.00 0.00 H new ATOM 0 HA PHE A 18 29.728 -0.904 5.826 1.00 0.00 H new ATOM 0 HB2 PHE A 18 27.030 -0.515 6.419 1.00 0.00 H new ATOM 0 HB3 PHE A 18 27.364 -2.027 7.240 1.00 0.00 H new ATOM 0 HD1 PHE A 18 29.874 -2.003 8.407 1.00 0.00 H new ATOM 0 HD2 PHE A 18 27.370 1.411 7.686 1.00 0.00 H new ATOM 0 HE1 PHE A 18 31.050 -0.759 10.203 1.00 0.00 H new ATOM 0 HE2 PHE A 18 28.542 2.652 9.482 1.00 0.00 H new ATOM 0 HZ PHE A 18 30.383 1.568 10.742 1.00 0.00 H new ATOM 310 N ALA A 19 28.420 -3.865 5.283 1.00 0.00 N ATOM 311 CA ALA A 19 28.711 -5.332 5.385 1.00 0.00 C ATOM 312 C ALA A 19 30.112 -5.647 4.837 1.00 0.00 C ATOM 313 O ALA A 19 30.932 -6.252 5.500 1.00 0.00 O ATOM 314 CB ALA A 19 27.671 -6.098 4.566 1.00 0.00 C ATOM 0 H ALA A 19 27.591 -3.628 4.738 1.00 0.00 H new ATOM 0 HA ALA A 19 28.670 -5.630 6.433 1.00 0.00 H new ATOM 0 HB1 ALA A 19 27.872 -7.167 4.632 1.00 0.00 H new ATOM 0 HB2 ALA A 19 26.675 -5.891 4.957 1.00 0.00 H new ATOM 0 HB3 ALA A 19 27.724 -5.782 3.524 1.00 0.00 H new ATOM 320 N ALA A 20 30.366 -5.263 3.619 1.00 0.00 N ATOM 321 CA ALA A 20 31.689 -5.540 2.972 1.00 0.00 C ATOM 322 C ALA A 20 32.849 -5.023 3.825 1.00 0.00 C ATOM 323 O ALA A 20 33.838 -5.702 4.027 1.00 0.00 O ATOM 324 CB ALA A 20 31.731 -4.821 1.630 1.00 0.00 C ATOM 0 H ALA A 20 29.704 -4.759 3.029 1.00 0.00 H new ATOM 0 HA ALA A 20 31.794 -6.619 2.855 1.00 0.00 H new ATOM 0 HB1 ALA A 20 32.688 -5.012 1.145 1.00 0.00 H new ATOM 0 HB2 ALA A 20 30.923 -5.187 0.996 1.00 0.00 H new ATOM 0 HB3 ALA A 20 31.612 -3.749 1.788 1.00 0.00 H new ATOM 330 N LEU A 21 32.748 -3.809 4.279 1.00 0.00 N ATOM 331 CA LEU A 21 33.851 -3.199 5.087 1.00 0.00 C ATOM 332 C LEU A 21 33.823 -3.685 6.546 1.00 0.00 C ATOM 333 O LEU A 21 34.751 -3.451 7.292 1.00 0.00 O ATOM 334 CB LEU A 21 33.701 -1.675 5.057 1.00 0.00 C ATOM 335 CG LEU A 21 34.707 -1.079 4.069 1.00 0.00 C ATOM 336 CD1 LEU A 21 34.241 -1.347 2.638 1.00 0.00 C ATOM 337 CD2 LEU A 21 34.810 0.430 4.298 1.00 0.00 C ATOM 0 H LEU A 21 31.943 -3.202 4.127 1.00 0.00 H new ATOM 0 HA LEU A 21 34.803 -3.502 4.652 1.00 0.00 H new ATOM 0 HB2 LEU A 21 32.686 -1.405 4.765 1.00 0.00 H new ATOM 0 HB3 LEU A 21 33.867 -1.264 6.053 1.00 0.00 H new ATOM 0 HG LEU A 21 35.683 -1.539 4.223 1.00 0.00 H new ATOM 0 HD11 LEU A 21 34.958 -0.922 1.936 1.00 0.00 H new ATOM 0 HD12 LEU A 21 34.167 -2.422 2.475 1.00 0.00 H new ATOM 0 HD13 LEU A 21 33.265 -0.888 2.481 1.00 0.00 H new ATOM 0 HD21 LEU A 21 35.526 0.857 3.595 1.00 0.00 H new ATOM 0 HD22 LEU A 21 33.833 0.889 4.144 1.00 0.00 H new ATOM 0 HD23 LEU A 21 35.144 0.621 5.318 1.00 0.00 H new ATOM 349 N SER A 22 32.779 -4.350 6.969 1.00 0.00 N ATOM 350 CA SER A 22 32.715 -4.834 8.389 1.00 0.00 C ATOM 351 C SER A 22 33.965 -5.678 8.723 1.00 0.00 C ATOM 352 O SER A 22 34.679 -5.366 9.655 1.00 0.00 O ATOM 353 CB SER A 22 31.448 -5.673 8.584 1.00 0.00 C ATOM 354 OG SER A 22 30.685 -5.128 9.652 1.00 0.00 O ATOM 0 H SER A 22 31.967 -4.581 6.397 1.00 0.00 H new ATOM 0 HA SER A 22 32.687 -3.975 9.059 1.00 0.00 H new ATOM 0 HB2 SER A 22 30.858 -5.681 7.667 1.00 0.00 H new ATOM 0 HB3 SER A 22 31.713 -6.708 8.802 1.00 0.00 H new ATOM 0 HG SER A 22 29.872 -5.661 9.779 1.00 0.00 H new ATOM 360 N PRO A 23 34.201 -6.718 7.950 1.00 0.00 N ATOM 361 CA PRO A 23 35.369 -7.661 8.100 1.00 0.00 C ATOM 362 C PRO A 23 36.660 -7.004 7.617 1.00 0.00 C ATOM 363 O PRO A 23 37.624 -6.894 8.344 1.00 0.00 O ATOM 364 CB PRO A 23 35.051 -8.865 7.231 1.00 0.00 C ATOM 365 CG PRO A 23 34.072 -8.396 6.185 1.00 0.00 C ATOM 366 CD PRO A 23 33.370 -7.177 6.770 1.00 0.00 C ATOM 0 HA PRO A 23 35.515 -7.938 9.144 1.00 0.00 H new ATOM 0 HB2 PRO A 23 35.956 -9.257 6.766 1.00 0.00 H new ATOM 0 HB3 PRO A 23 34.624 -9.671 7.827 1.00 0.00 H new ATOM 0 HG2 PRO A 23 34.586 -8.141 5.258 1.00 0.00 H new ATOM 0 HG3 PRO A 23 33.354 -9.180 5.946 1.00 0.00 H new ATOM 0 HD2 PRO A 23 33.285 -6.385 6.026 1.00 0.00 H new ATOM 0 HD3 PRO A 23 32.357 -7.428 7.085 1.00 0.00 H new ATOM 374 N ALA A 24 36.678 -6.591 6.382 1.00 0.00 N ATOM 375 CA ALA A 24 37.901 -5.946 5.787 1.00 0.00 C ATOM 376 C ALA A 24 38.485 -4.878 6.727 1.00 0.00 C ATOM 377 O ALA A 24 39.677 -4.630 6.729 1.00 0.00 O ATOM 378 CB ALA A 24 37.523 -5.289 4.458 1.00 0.00 C ATOM 0 H ALA A 24 35.888 -6.671 5.742 1.00 0.00 H new ATOM 0 HA ALA A 24 38.655 -6.718 5.634 1.00 0.00 H new ATOM 0 HB1 ALA A 24 38.404 -4.819 4.021 1.00 0.00 H new ATOM 0 HB2 ALA A 24 37.138 -6.046 3.774 1.00 0.00 H new ATOM 0 HB3 ALA A 24 36.757 -4.533 4.631 1.00 0.00 H new ATOM 384 N ILE A 25 37.658 -4.256 7.526 1.00 0.00 N ATOM 385 CA ILE A 25 38.161 -3.212 8.470 1.00 0.00 C ATOM 386 C ILE A 25 38.902 -3.914 9.622 1.00 0.00 C ATOM 387 O ILE A 25 39.982 -3.513 10.015 1.00 0.00 O ATOM 388 CB ILE A 25 36.959 -2.382 8.990 1.00 0.00 C ATOM 389 CG1 ILE A 25 36.532 -1.374 7.908 1.00 0.00 C ATOM 390 CG2 ILE A 25 37.318 -1.613 10.277 1.00 0.00 C ATOM 391 CD1 ILE A 25 37.673 -0.395 7.601 1.00 0.00 C ATOM 0 H ILE A 25 36.653 -4.426 7.566 1.00 0.00 H new ATOM 0 HA ILE A 25 38.853 -2.532 7.973 1.00 0.00 H new ATOM 0 HB ILE A 25 36.145 -3.071 9.217 1.00 0.00 H new ATOM 0 HG12 ILE A 25 36.248 -1.906 7.000 1.00 0.00 H new ATOM 0 HG13 ILE A 25 35.653 -0.823 8.243 1.00 0.00 H new ATOM 0 HG21 ILE A 25 36.452 -1.042 10.613 1.00 0.00 H new ATOM 0 HG22 ILE A 25 37.611 -2.320 11.054 1.00 0.00 H new ATOM 0 HG23 ILE A 25 38.145 -0.933 10.075 1.00 0.00 H new ATOM 0 HD11 ILE A 25 37.352 0.309 6.834 1.00 0.00 H new ATOM 0 HD12 ILE A 25 37.938 0.151 8.507 1.00 0.00 H new ATOM 0 HD13 ILE A 25 38.541 -0.949 7.244 1.00 0.00 H new ATOM 403 N THR A 26 38.320 -4.951 10.162 1.00 0.00 N ATOM 404 CA THR A 26 38.963 -5.689 11.291 1.00 0.00 C ATOM 405 C THR A 26 40.350 -6.208 10.878 1.00 0.00 C ATOM 406 O THR A 26 41.292 -6.141 11.644 1.00 0.00 O ATOM 407 CB THR A 26 38.069 -6.870 11.684 1.00 0.00 C ATOM 408 OG1 THR A 26 36.761 -6.392 11.969 1.00 0.00 O ATOM 409 CG2 THR A 26 38.638 -7.563 12.922 1.00 0.00 C ATOM 0 H THR A 26 37.417 -5.323 9.867 1.00 0.00 H new ATOM 0 HA THR A 26 39.086 -5.012 12.137 1.00 0.00 H new ATOM 0 HB THR A 26 38.030 -7.584 10.861 1.00 0.00 H new ATOM 0 HG1 THR A 26 36.185 -7.144 12.219 1.00 0.00 H new ATOM 0 HG21 THR A 26 37.998 -8.402 13.196 1.00 0.00 H new ATOM 0 HG22 THR A 26 39.642 -7.928 12.705 1.00 0.00 H new ATOM 0 HG23 THR A 26 38.681 -6.854 13.749 1.00 0.00 H new ATOM 417 N PHE A 27 40.481 -6.733 9.683 1.00 0.00 N ATOM 418 CA PHE A 27 41.804 -7.266 9.234 1.00 0.00 C ATOM 419 C PHE A 27 42.650 -6.135 8.634 1.00 0.00 C ATOM 420 O PHE A 27 43.537 -5.607 9.280 1.00 0.00 O ATOM 421 CB PHE A 27 41.588 -8.358 8.180 1.00 0.00 C ATOM 422 CG PHE A 27 41.198 -9.651 8.856 1.00 0.00 C ATOM 423 CD1 PHE A 27 42.062 -10.245 9.784 1.00 0.00 C ATOM 424 CD2 PHE A 27 39.973 -10.255 8.552 1.00 0.00 C ATOM 425 CE1 PHE A 27 41.700 -11.445 10.407 1.00 0.00 C ATOM 426 CE2 PHE A 27 39.610 -11.454 9.176 1.00 0.00 C ATOM 427 CZ PHE A 27 40.474 -12.049 10.103 1.00 0.00 C ATOM 0 H PHE A 27 39.728 -6.815 9.000 1.00 0.00 H new ATOM 0 HA PHE A 27 42.327 -7.687 10.093 1.00 0.00 H new ATOM 0 HB2 PHE A 27 40.809 -8.053 7.481 1.00 0.00 H new ATOM 0 HB3 PHE A 27 42.499 -8.501 7.599 1.00 0.00 H new ATOM 0 HD1 PHE A 27 43.007 -9.778 10.019 1.00 0.00 H new ATOM 0 HD2 PHE A 27 39.308 -9.796 7.836 1.00 0.00 H new ATOM 0 HE1 PHE A 27 42.366 -11.905 11.122 1.00 0.00 H new ATOM 0 HE2 PHE A 27 38.664 -11.920 8.943 1.00 0.00 H new ATOM 0 HZ PHE A 27 40.195 -12.975 10.584 1.00 0.00 H new ATOM 437 N GLY A 28 42.392 -5.770 7.402 1.00 0.00 N ATOM 438 CA GLY A 28 43.183 -4.687 6.753 1.00 0.00 C ATOM 439 C GLY A 28 42.471 -3.346 6.933 1.00 0.00 C ATOM 440 O GLY A 28 41.607 -3.201 7.776 1.00 0.00 O ATOM 0 H GLY A 28 41.663 -6.180 6.818 1.00 0.00 H new ATOM 0 HA2 GLY A 28 44.181 -4.641 7.190 1.00 0.00 H new ATOM 0 HA3 GLY A 28 43.309 -4.902 5.692 1.00 0.00 H new ATOM 444 N GLY A 29 42.832 -2.365 6.144 1.00 0.00 N ATOM 445 CA GLY A 29 42.183 -1.027 6.260 1.00 0.00 C ATOM 446 C GLY A 29 42.862 -0.042 5.306 1.00 0.00 C ATOM 447 O GLY A 29 43.524 0.887 5.728 1.00 0.00 O ATOM 0 H GLY A 29 43.550 -2.435 5.423 1.00 0.00 H new ATOM 0 HA2 GLY A 29 41.122 -1.105 6.024 1.00 0.00 H new ATOM 0 HA3 GLY A 29 42.255 -0.664 7.285 1.00 0.00 H new ATOM 451 N LEU A 30 42.696 -0.236 4.021 1.00 0.00 N ATOM 452 CA LEU A 30 43.324 0.685 3.026 1.00 0.00 C ATOM 453 C LEU A 30 42.798 2.109 3.245 1.00 0.00 C ATOM 454 O LEU A 30 41.721 2.303 3.778 1.00 0.00 O ATOM 455 CB LEU A 30 42.970 0.217 1.609 1.00 0.00 C ATOM 456 CG LEU A 30 44.179 0.394 0.688 1.00 0.00 C ATOM 457 CD1 LEU A 30 45.034 -0.874 0.716 1.00 0.00 C ATOM 458 CD2 LEU A 30 43.694 0.647 -0.741 1.00 0.00 C ATOM 0 H LEU A 30 42.150 -0.997 3.617 1.00 0.00 H new ATOM 0 HA LEU A 30 44.407 0.677 3.151 1.00 0.00 H new ATOM 0 HB2 LEU A 30 42.665 -0.829 1.627 1.00 0.00 H new ATOM 0 HB3 LEU A 30 42.124 0.789 1.228 1.00 0.00 H new ATOM 0 HG LEU A 30 44.775 1.241 1.029 1.00 0.00 H new ATOM 0 HD11 LEU A 30 45.895 -0.747 0.060 1.00 0.00 H new ATOM 0 HD12 LEU A 30 45.378 -1.059 1.734 1.00 0.00 H new ATOM 0 HD13 LEU A 30 44.439 -1.721 0.375 1.00 0.00 H new ATOM 0 HD21 LEU A 30 44.553 0.774 -1.400 1.00 0.00 H new ATOM 0 HD22 LEU A 30 43.099 -0.202 -1.079 1.00 0.00 H new ATOM 0 HD23 LEU A 30 43.083 1.550 -0.764 1.00 0.00 H new ATOM 470 N LEU A 31 43.551 3.101 2.840 1.00 0.00 N ATOM 471 CA LEU A 31 43.102 4.513 3.025 1.00 0.00 C ATOM 472 C LEU A 31 41.819 4.751 2.226 1.00 0.00 C ATOM 473 O LEU A 31 40.812 5.170 2.764 1.00 0.00 O ATOM 474 CB LEU A 31 44.193 5.467 2.531 1.00 0.00 C ATOM 475 CG LEU A 31 44.200 6.732 3.395 1.00 0.00 C ATOM 476 CD1 LEU A 31 45.267 6.605 4.483 1.00 0.00 C ATOM 477 CD2 LEU A 31 44.513 7.948 2.520 1.00 0.00 C ATOM 0 H LEU A 31 44.459 2.992 2.388 1.00 0.00 H new ATOM 0 HA LEU A 31 42.911 4.695 4.083 1.00 0.00 H new ATOM 0 HB2 LEU A 31 45.166 4.978 2.577 1.00 0.00 H new ATOM 0 HB3 LEU A 31 44.017 5.728 1.488 1.00 0.00 H new ATOM 0 HG LEU A 31 43.221 6.857 3.858 1.00 0.00 H new ATOM 0 HD11 LEU A 31 45.270 7.506 5.096 1.00 0.00 H new ATOM 0 HD12 LEU A 31 45.047 5.740 5.109 1.00 0.00 H new ATOM 0 HD13 LEU A 31 46.246 6.478 4.020 1.00 0.00 H new ATOM 0 HD21 LEU A 31 44.518 8.848 3.135 1.00 0.00 H new ATOM 0 HD22 LEU A 31 45.491 7.820 2.056 1.00 0.00 H new ATOM 0 HD23 LEU A 31 43.753 8.043 1.744 1.00 0.00 H new ATOM 489 N GLY A 32 41.852 4.487 0.945 1.00 0.00 N ATOM 490 CA GLY A 32 40.640 4.694 0.099 1.00 0.00 C ATOM 491 C GLY A 32 40.998 4.465 -1.370 1.00 0.00 C ATOM 492 O GLY A 32 41.676 3.513 -1.709 1.00 0.00 O ATOM 0 H GLY A 32 42.670 4.136 0.447 1.00 0.00 H new ATOM 0 HA2 GLY A 32 39.850 4.008 0.403 1.00 0.00 H new ATOM 0 HA3 GLY A 32 40.255 5.704 0.237 1.00 0.00 H new ATOM 496 N GLU A 33 40.545 5.329 -2.244 1.00 0.00 N ATOM 497 CA GLU A 33 40.855 5.166 -3.694 1.00 0.00 C ATOM 498 C GLU A 33 42.343 5.439 -3.932 1.00 0.00 C ATOM 499 O GLU A 33 43.036 4.642 -4.536 1.00 0.00 O ATOM 500 CB GLU A 33 40.010 6.146 -4.509 1.00 0.00 C ATOM 501 CG GLU A 33 38.528 5.911 -4.204 1.00 0.00 C ATOM 502 CD GLU A 33 37.691 7.030 -4.826 1.00 0.00 C ATOM 503 OE1 GLU A 33 37.880 7.303 -6.000 1.00 0.00 O ATOM 504 OE2 GLU A 33 36.873 7.595 -4.118 1.00 0.00 O ATOM 0 H GLU A 33 39.973 6.141 -2.013 1.00 0.00 H new ATOM 0 HA GLU A 33 40.623 4.147 -4.005 1.00 0.00 H new ATOM 0 HB2 GLU A 33 40.285 7.172 -4.265 1.00 0.00 H new ATOM 0 HB3 GLU A 33 40.200 6.010 -5.574 1.00 0.00 H new ATOM 0 HG2 GLU A 33 38.214 4.945 -4.600 1.00 0.00 H new ATOM 0 HG3 GLU A 33 38.369 5.881 -3.126 1.00 0.00 H new ATOM 511 N LYS A 34 42.841 6.554 -3.454 1.00 0.00 N ATOM 512 CA LYS A 34 44.285 6.872 -3.644 1.00 0.00 C ATOM 513 C LYS A 34 44.867 7.416 -2.335 1.00 0.00 C ATOM 514 O LYS A 34 46.069 7.313 -2.155 1.00 0.00 O ATOM 515 CB LYS A 34 44.450 7.910 -4.762 1.00 0.00 C ATOM 516 CG LYS A 34 43.691 9.196 -4.413 1.00 0.00 C ATOM 517 CD LYS A 34 44.242 10.349 -5.256 1.00 0.00 C ATOM 518 CE LYS A 34 43.458 11.627 -4.956 1.00 0.00 C ATOM 519 NZ LYS A 34 43.455 12.500 -6.164 1.00 0.00 N ATOM 520 OXT LYS A 34 44.099 7.927 -1.536 1.00 0.00 O ATOM 0 H LYS A 34 42.307 7.256 -2.941 1.00 0.00 H new ATOM 0 HA LYS A 34 44.819 5.964 -3.925 1.00 0.00 H new ATOM 0 HB2 LYS A 34 45.507 8.132 -4.908 1.00 0.00 H new ATOM 0 HB3 LYS A 34 44.077 7.504 -5.702 1.00 0.00 H new ATOM 0 HG2 LYS A 34 42.626 9.067 -4.604 1.00 0.00 H new ATOM 0 HG3 LYS A 34 43.800 9.421 -3.352 1.00 0.00 H new ATOM 0 HD2 LYS A 34 45.299 10.500 -5.037 1.00 0.00 H new ATOM 0 HD3 LYS A 34 44.167 10.105 -6.316 1.00 0.00 H new ATOM 0 HE2 LYS A 34 42.436 11.381 -4.669 1.00 0.00 H new ATOM 0 HE3 LYS A 34 43.908 12.154 -4.114 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 42.922 13.370 -5.962 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 44.433 12.744 -6.418 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 43.007 11.996 -6.956 1.00 0.00 H new TER 534 LYS A 34