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 -170:sc= -0.296 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 11.290 -0.071 -18.568 1.00 0.00 C HETATM 2 O ACE A 1 10.446 -0.845 -18.158 1.00 0.00 O HETATM 3 CH3 ACE A 1 11.913 -0.242 -19.954 1.00 0.00 C HETATM 0 H1 ACE A 1 11.712 0.645 -20.555 1.00 0.00 H new HETATM 0 H2 ACE A 1 12.990 -0.377 -19.855 1.00 0.00 H new HETATM 0 H3 ACE A 1 11.481 -1.116 -20.442 1.00 0.00 H new ATOM 7 N ARG A 2 11.710 0.935 -17.839 1.00 0.00 N ATOM 8 CA ARG A 2 11.166 1.173 -16.471 1.00 0.00 C ATOM 9 C ARG A 2 11.699 0.103 -15.534 1.00 0.00 C ATOM 10 O ARG A 2 11.417 -1.072 -15.673 1.00 0.00 O ATOM 11 CB ARG A 2 9.636 1.137 -16.448 1.00 0.00 C ATOM 12 CG ARG A 2 9.066 1.876 -17.665 1.00 0.00 C ATOM 13 CD ARG A 2 7.702 2.477 -17.311 1.00 0.00 C ATOM 14 NE ARG A 2 6.620 1.573 -17.793 1.00 0.00 N ATOM 15 CZ ARG A 2 5.383 1.993 -17.824 1.00 0.00 C ATOM 16 NH1 ARG A 2 4.791 2.360 -16.721 1.00 0.00 N ATOM 17 NH2 ARG A 2 4.740 2.049 -18.958 1.00 0.00 N ATOM 0 H ARG A 2 12.415 1.608 -18.140 1.00 0.00 H new ATOM 0 HA ARG A 2 11.484 2.166 -16.152 1.00 0.00 H new ATOM 0 HB2 ARG A 2 9.290 0.103 -16.447 1.00 0.00 H new ATOM 0 HB3 ARG A 2 9.269 1.597 -15.530 1.00 0.00 H new ATOM 0 HG2 ARG A 2 9.751 2.664 -17.978 1.00 0.00 H new ATOM 0 HG3 ARG A 2 8.965 1.189 -18.505 1.00 0.00 H new ATOM 0 HD2 ARG A 2 7.622 2.614 -16.233 1.00 0.00 H new ATOM 0 HD3 ARG A 2 7.597 3.462 -17.766 1.00 0.00 H new ATOM 0 HE ARG A 2 6.845 0.626 -18.099 1.00 0.00 H new ATOM 0 HH11 ARG A 2 5.294 2.319 -15.834 1.00 0.00 H new ATOM 0 HH12 ARG A 2 3.825 2.688 -16.745 1.00 0.00 H new ATOM 0 HH21 ARG A 2 5.203 1.765 -19.821 1.00 0.00 H new ATOM 0 HH22 ARG A 2 3.774 2.377 -18.981 1.00 0.00 H new ATOM 31 N TYR A 3 12.469 0.519 -14.581 1.00 0.00 N ATOM 32 CA TYR A 3 13.053 -0.435 -13.595 1.00 0.00 C ATOM 33 C TYR A 3 13.595 0.353 -12.388 1.00 0.00 C ATOM 34 O TYR A 3 14.793 0.465 -12.212 1.00 0.00 O ATOM 35 CB TYR A 3 14.188 -1.230 -14.259 1.00 0.00 C ATOM 36 CG TYR A 3 13.710 -2.627 -14.581 1.00 0.00 C ATOM 37 CD1 TYR A 3 13.174 -3.433 -13.568 1.00 0.00 C ATOM 38 CD2 TYR A 3 13.802 -3.117 -15.889 1.00 0.00 C ATOM 39 CE1 TYR A 3 12.731 -4.727 -13.863 1.00 0.00 C ATOM 40 CE2 TYR A 3 13.358 -4.412 -16.184 1.00 0.00 C ATOM 41 CZ TYR A 3 12.823 -5.217 -15.171 1.00 0.00 C ATOM 42 OH TYR A 3 12.386 -6.493 -15.462 1.00 0.00 O ATOM 0 H TYR A 3 12.727 1.495 -14.435 1.00 0.00 H new ATOM 0 HA TYR A 3 12.286 -1.131 -13.255 1.00 0.00 H new ATOM 0 HB2 TYR A 3 14.513 -0.727 -15.170 1.00 0.00 H new ATOM 0 HB3 TYR A 3 15.051 -1.275 -13.595 1.00 0.00 H new ATOM 0 HD1 TYR A 3 13.103 -3.055 -12.559 1.00 0.00 H new ATOM 0 HD2 TYR A 3 14.215 -2.497 -16.670 1.00 0.00 H new ATOM 0 HE1 TYR A 3 12.318 -5.348 -13.082 1.00 0.00 H new ATOM 0 HE2 TYR A 3 13.428 -4.790 -17.193 1.00 0.00 H new ATOM 0 HH TYR A 3 12.520 -6.675 -16.415 1.00 0.00 H new ATOM 52 N PRO A 4 12.693 0.875 -11.586 1.00 0.00 N ATOM 53 CA PRO A 4 12.980 1.678 -10.351 1.00 0.00 C ATOM 54 C PRO A 4 13.124 0.756 -9.141 1.00 0.00 C ATOM 55 O PRO A 4 14.171 0.664 -8.535 1.00 0.00 O ATOM 56 CB PRO A 4 11.779 2.594 -10.178 1.00 0.00 C ATOM 57 CG PRO A 4 10.617 1.941 -10.901 1.00 0.00 C ATOM 58 CD PRO A 4 11.191 0.790 -11.727 1.00 0.00 C ATOM 0 HA PRO A 4 13.910 2.240 -10.438 1.00 0.00 H new ATOM 0 HB2 PRO A 4 11.548 2.732 -9.122 1.00 0.00 H new ATOM 0 HB3 PRO A 4 11.984 3.582 -10.591 1.00 0.00 H new ATOM 0 HG2 PRO A 4 9.878 1.573 -10.189 1.00 0.00 H new ATOM 0 HG3 PRO A 4 10.110 2.661 -11.544 1.00 0.00 H new ATOM 0 HD2 PRO A 4 10.820 -0.170 -11.367 1.00 0.00 H new ATOM 0 HD3 PRO A 4 10.893 0.875 -12.772 1.00 0.00 H new ATOM 66 N TYR A 5 12.068 0.078 -8.794 1.00 0.00 N ATOM 67 CA TYR A 5 12.091 -0.857 -7.622 1.00 0.00 C ATOM 68 C TYR A 5 13.283 -1.826 -7.717 1.00 0.00 C ATOM 69 O TYR A 5 13.743 -2.347 -6.719 1.00 0.00 O ATOM 70 CB TYR A 5 10.788 -1.659 -7.612 1.00 0.00 C ATOM 71 CG TYR A 5 10.552 -2.243 -6.240 1.00 0.00 C ATOM 72 CD1 TYR A 5 11.285 -3.358 -5.816 1.00 0.00 C ATOM 73 CD2 TYR A 5 9.591 -1.674 -5.395 1.00 0.00 C ATOM 74 CE1 TYR A 5 11.057 -3.904 -4.546 1.00 0.00 C ATOM 75 CE2 TYR A 5 9.365 -2.219 -4.125 1.00 0.00 C ATOM 76 CZ TYR A 5 10.098 -3.334 -3.701 1.00 0.00 C ATOM 77 OH TYR A 5 9.872 -3.874 -2.452 1.00 0.00 O ATOM 0 H TYR A 5 11.171 0.129 -9.278 1.00 0.00 H new ATOM 0 HA TYR A 5 12.192 -0.276 -6.705 1.00 0.00 H new ATOM 0 HB2 TYR A 5 9.953 -1.016 -7.891 1.00 0.00 H new ATOM 0 HB3 TYR A 5 10.837 -2.457 -8.353 1.00 0.00 H new ATOM 0 HD1 TYR A 5 12.026 -3.797 -6.468 1.00 0.00 H new ATOM 0 HD2 TYR A 5 9.024 -0.815 -5.723 1.00 0.00 H new ATOM 0 HE1 TYR A 5 11.621 -4.765 -4.219 1.00 0.00 H new ATOM 0 HE2 TYR A 5 8.625 -1.779 -3.473 1.00 0.00 H new ATOM 0 HH TYR A 5 9.176 -3.359 -1.994 1.00 0.00 H new ATOM 87 N TYR A 6 13.778 -2.073 -8.906 1.00 0.00 N ATOM 88 CA TYR A 6 14.932 -3.009 -9.065 1.00 0.00 C ATOM 89 C TYR A 6 16.244 -2.268 -8.796 1.00 0.00 C ATOM 90 O TYR A 6 17.159 -2.807 -8.203 1.00 0.00 O ATOM 91 CB TYR A 6 14.941 -3.569 -10.489 1.00 0.00 C ATOM 92 CG TYR A 6 15.668 -4.894 -10.508 1.00 0.00 C ATOM 93 CD1 TYR A 6 15.087 -6.021 -9.911 1.00 0.00 C ATOM 94 CD2 TYR A 6 16.921 -4.997 -11.123 1.00 0.00 C ATOM 95 CE1 TYR A 6 15.761 -7.249 -9.930 1.00 0.00 C ATOM 96 CE2 TYR A 6 17.594 -6.224 -11.142 1.00 0.00 C ATOM 97 CZ TYR A 6 17.014 -7.350 -10.545 1.00 0.00 C ATOM 98 OH TYR A 6 17.678 -8.559 -10.565 1.00 0.00 O ATOM 0 H TYR A 6 13.431 -1.665 -9.774 1.00 0.00 H new ATOM 0 HA TYR A 6 14.832 -3.827 -8.352 1.00 0.00 H new ATOM 0 HB2 TYR A 6 13.919 -3.698 -10.846 1.00 0.00 H new ATOM 0 HB3 TYR A 6 15.428 -2.866 -11.164 1.00 0.00 H new ATOM 0 HD1 TYR A 6 14.120 -5.943 -9.436 1.00 0.00 H new ATOM 0 HD2 TYR A 6 17.369 -4.129 -11.583 1.00 0.00 H new ATOM 0 HE1 TYR A 6 15.314 -8.118 -9.470 1.00 0.00 H new ATOM 0 HE2 TYR A 6 18.561 -6.302 -11.617 1.00 0.00 H new ATOM 0 HH TYR A 6 18.533 -8.455 -11.032 1.00 0.00 H new ATOM 108 N LEU A 7 16.339 -1.039 -9.228 1.00 0.00 N ATOM 109 CA LEU A 7 17.588 -0.251 -9.001 1.00 0.00 C ATOM 110 C LEU A 7 17.674 0.193 -7.533 1.00 0.00 C ATOM 111 O LEU A 7 18.727 0.578 -7.059 1.00 0.00 O ATOM 112 CB LEU A 7 17.580 0.984 -9.903 1.00 0.00 C ATOM 113 CG LEU A 7 18.283 0.659 -11.222 1.00 0.00 C ATOM 114 CD1 LEU A 7 17.917 1.715 -12.266 1.00 0.00 C ATOM 115 CD2 LEU A 7 19.798 0.661 -11.006 1.00 0.00 C ATOM 0 H LEU A 7 15.603 -0.544 -9.731 1.00 0.00 H new ATOM 0 HA LEU A 7 18.450 -0.876 -9.236 1.00 0.00 H new ATOM 0 HB2 LEU A 7 16.555 1.301 -10.094 1.00 0.00 H new ATOM 0 HB3 LEU A 7 18.083 1.814 -9.406 1.00 0.00 H new ATOM 0 HG LEU A 7 17.967 -0.324 -11.571 1.00 0.00 H new ATOM 0 HD11 LEU A 7 18.417 1.485 -13.207 1.00 0.00 H new ATOM 0 HD12 LEU A 7 16.838 1.716 -12.419 1.00 0.00 H new ATOM 0 HD13 LEU A 7 18.235 2.697 -11.917 1.00 0.00 H new ATOM 0 HD21 LEU A 7 20.300 0.429 -11.946 1.00 0.00 H new ATOM 0 HD22 LEU A 7 20.115 1.644 -10.658 1.00 0.00 H new ATOM 0 HD23 LEU A 7 20.060 -0.089 -10.260 1.00 0.00 H new ATOM 127 N SER A 8 16.579 0.147 -6.810 1.00 0.00 N ATOM 128 CA SER A 8 16.600 0.570 -5.379 1.00 0.00 C ATOM 129 C SER A 8 17.530 -0.344 -4.575 1.00 0.00 C ATOM 130 O SER A 8 18.052 0.043 -3.547 1.00 0.00 O ATOM 131 CB SER A 8 15.185 0.486 -4.808 1.00 0.00 C ATOM 132 OG SER A 8 15.200 0.908 -3.451 1.00 0.00 O ATOM 0 H SER A 8 15.671 -0.167 -7.153 1.00 0.00 H new ATOM 0 HA SER A 8 16.965 1.595 -5.313 1.00 0.00 H new ATOM 0 HB2 SER A 8 14.509 1.113 -5.388 1.00 0.00 H new ATOM 0 HB3 SER A 8 14.812 -0.536 -4.879 1.00 0.00 H new ATOM 0 HG SER A 8 14.293 0.857 -3.082 1.00 0.00 H new ATOM 138 N ASP A 9 17.738 -1.554 -5.035 1.00 0.00 N ATOM 139 CA ASP A 9 18.632 -2.499 -4.301 1.00 0.00 C ATOM 140 C ASP A 9 20.049 -1.918 -4.226 1.00 0.00 C ATOM 141 O ASP A 9 20.675 -1.926 -3.183 1.00 0.00 O ATOM 142 CB ASP A 9 18.661 -3.840 -5.042 1.00 0.00 C ATOM 143 CG ASP A 9 17.708 -4.827 -4.363 1.00 0.00 C ATOM 144 OD1 ASP A 9 16.518 -4.557 -4.350 1.00 0.00 O ATOM 145 OD2 ASP A 9 18.184 -5.835 -3.868 1.00 0.00 O ATOM 0 H ASP A 9 17.325 -1.927 -5.890 1.00 0.00 H new ATOM 0 HA ASP A 9 18.256 -2.648 -3.289 1.00 0.00 H new ATOM 0 HB2 ASP A 9 18.371 -3.697 -6.083 1.00 0.00 H new ATOM 0 HB3 ASP A 9 19.674 -4.242 -5.046 1.00 0.00 H new ATOM 150 N ILE A 10 20.555 -1.413 -5.323 1.00 0.00 N ATOM 151 CA ILE A 10 21.929 -0.827 -5.319 1.00 0.00 C ATOM 152 C ILE A 10 21.938 0.429 -4.443 1.00 0.00 C ATOM 153 O ILE A 10 22.914 0.725 -3.780 1.00 0.00 O ATOM 154 CB ILE A 10 22.336 -0.460 -6.751 1.00 0.00 C ATOM 155 CG1 ILE A 10 22.199 -1.689 -7.667 1.00 0.00 C ATOM 156 CG2 ILE A 10 23.785 0.035 -6.766 1.00 0.00 C ATOM 157 CD1 ILE A 10 23.099 -2.829 -7.172 1.00 0.00 C ATOM 0 H ILE A 10 20.075 -1.382 -6.222 1.00 0.00 H new ATOM 0 HA ILE A 10 22.636 -1.555 -4.921 1.00 0.00 H new ATOM 0 HB ILE A 10 21.681 0.331 -7.115 1.00 0.00 H new ATOM 0 HG12 ILE A 10 21.161 -2.020 -7.689 1.00 0.00 H new ATOM 0 HG13 ILE A 10 22.469 -1.421 -8.688 1.00 0.00 H new ATOM 0 HG21 ILE A 10 24.070 0.295 -7.785 1.00 0.00 H new ATOM 0 HG22 ILE A 10 23.876 0.915 -6.129 1.00 0.00 H new ATOM 0 HG23 ILE A 10 24.442 -0.751 -6.395 1.00 0.00 H new ATOM 0 HD11 ILE A 10 22.990 -3.691 -7.831 1.00 0.00 H new ATOM 0 HD12 ILE A 10 24.138 -2.499 -7.174 1.00 0.00 H new ATOM 0 HD13 ILE A 10 22.809 -3.108 -6.159 1.00 0.00 H new ATOM 169 N THR A 11 20.853 1.164 -4.432 1.00 0.00 N ATOM 170 CA THR A 11 20.787 2.400 -3.594 1.00 0.00 C ATOM 171 C THR A 11 20.916 2.011 -2.120 1.00 0.00 C ATOM 172 O THR A 11 21.475 2.743 -1.325 1.00 0.00 O ATOM 173 CB THR A 11 19.450 3.113 -3.826 1.00 0.00 C ATOM 174 OG1 THR A 11 18.980 2.824 -5.136 1.00 0.00 O ATOM 175 CG2 THR A 11 19.642 4.624 -3.678 1.00 0.00 C ATOM 0 H THR A 11 20.010 0.960 -4.968 1.00 0.00 H new ATOM 0 HA THR A 11 21.599 3.073 -3.869 1.00 0.00 H new ATOM 0 HB THR A 11 18.723 2.765 -3.092 1.00 0.00 H new ATOM 0 HG1 THR A 11 18.214 3.399 -5.343 1.00 0.00 H new ATOM 0 HG21 THR A 11 18.691 5.130 -3.843 1.00 0.00 H new ATOM 0 HG22 THR A 11 20.003 4.848 -2.674 1.00 0.00 H new ATOM 0 HG23 THR A 11 20.370 4.972 -4.411 1.00 0.00 H new ATOM 183 N ASP A 12 20.419 0.854 -1.757 1.00 0.00 N ATOM 184 CA ASP A 12 20.529 0.402 -0.340 1.00 0.00 C ATOM 185 C ASP A 12 22.005 0.158 -0.029 1.00 0.00 C ATOM 186 O ASP A 12 22.483 0.462 1.046 1.00 0.00 O ATOM 187 CB ASP A 12 19.735 -0.897 -0.149 1.00 0.00 C ATOM 188 CG ASP A 12 18.398 -0.591 0.531 1.00 0.00 C ATOM 189 OD1 ASP A 12 17.860 0.477 0.286 1.00 0.00 O ATOM 190 OD2 ASP A 12 17.934 -1.430 1.285 1.00 0.00 O ATOM 0 H ASP A 12 19.942 0.205 -2.383 1.00 0.00 H new ATOM 0 HA ASP A 12 20.125 1.160 0.331 1.00 0.00 H new ATOM 0 HB2 ASP A 12 19.562 -1.374 -1.114 1.00 0.00 H new ATOM 0 HB3 ASP A 12 20.309 -1.599 0.456 1.00 0.00 H new ATOM 195 N VAL A 13 22.728 -0.374 -0.980 1.00 0.00 N ATOM 196 CA VAL A 13 24.181 -0.630 -0.774 1.00 0.00 C ATOM 197 C VAL A 13 24.905 0.710 -0.578 1.00 0.00 C ATOM 198 O VAL A 13 25.948 0.775 0.046 1.00 0.00 O ATOM 199 CB VAL A 13 24.739 -1.359 -2.000 1.00 0.00 C ATOM 200 CG1 VAL A 13 26.233 -1.638 -1.812 1.00 0.00 C ATOM 201 CG2 VAL A 13 23.996 -2.686 -2.180 1.00 0.00 C ATOM 0 H VAL A 13 22.370 -0.643 -1.896 1.00 0.00 H new ATOM 0 HA VAL A 13 24.333 -1.249 0.110 1.00 0.00 H new ATOM 0 HB VAL A 13 24.601 -0.733 -2.881 1.00 0.00 H new ATOM 0 HG11 VAL A 13 26.620 -2.157 -2.689 1.00 0.00 H new ATOM 0 HG12 VAL A 13 26.766 -0.696 -1.683 1.00 0.00 H new ATOM 0 HG13 VAL A 13 26.379 -2.261 -0.929 1.00 0.00 H new ATOM 0 HG21 VAL A 13 24.390 -3.208 -3.052 1.00 0.00 H new ATOM 0 HG22 VAL A 13 24.135 -3.304 -1.293 1.00 0.00 H new ATOM 0 HG23 VAL A 13 22.933 -2.491 -2.323 1.00 0.00 H new ATOM 211 N ILE A 14 24.354 1.778 -1.104 1.00 0.00 N ATOM 212 CA ILE A 14 24.995 3.116 -0.950 1.00 0.00 C ATOM 213 C ILE A 14 24.829 3.592 0.498 1.00 0.00 C ATOM 214 O ILE A 14 25.755 4.097 1.106 1.00 0.00 O ATOM 215 CB ILE A 14 24.319 4.107 -1.913 1.00 0.00 C ATOM 216 CG1 ILE A 14 24.499 3.624 -3.362 1.00 0.00 C ATOM 217 CG2 ILE A 14 24.938 5.504 -1.759 1.00 0.00 C ATOM 218 CD1 ILE A 14 25.990 3.535 -3.719 1.00 0.00 C ATOM 0 H ILE A 14 23.483 1.777 -1.635 1.00 0.00 H new ATOM 0 HA ILE A 14 26.058 3.053 -1.184 1.00 0.00 H new ATOM 0 HB ILE A 14 23.257 4.161 -1.674 1.00 0.00 H new ATOM 0 HG12 ILE A 14 24.030 2.648 -3.487 1.00 0.00 H new ATOM 0 HG13 ILE A 14 23.996 4.309 -4.045 1.00 0.00 H new ATOM 0 HG21 ILE A 14 24.451 6.196 -2.446 1.00 0.00 H new ATOM 0 HG22 ILE A 14 24.800 5.852 -0.735 1.00 0.00 H new ATOM 0 HG23 ILE A 14 26.003 5.457 -1.986 1.00 0.00 H new ATOM 0 HD11 ILE A 14 26.098 3.192 -4.748 1.00 0.00 H new ATOM 0 HD12 ILE A 14 26.448 4.518 -3.615 1.00 0.00 H new ATOM 0 HD13 ILE A 14 26.483 2.832 -3.048 1.00 0.00 H new ATOM 230 N PHE A 15 23.654 3.431 1.048 1.00 0.00 N ATOM 231 CA PHE A 15 23.408 3.868 2.452 1.00 0.00 C ATOM 232 C PHE A 15 24.307 3.074 3.404 1.00 0.00 C ATOM 233 O PHE A 15 24.856 3.614 4.346 1.00 0.00 O ATOM 234 CB PHE A 15 21.941 3.614 2.805 1.00 0.00 C ATOM 235 CG PHE A 15 21.456 4.682 3.755 1.00 0.00 C ATOM 236 CD1 PHE A 15 21.371 6.011 3.325 1.00 0.00 C ATOM 237 CD2 PHE A 15 21.090 4.345 5.065 1.00 0.00 C ATOM 238 CE1 PHE A 15 20.920 7.004 4.202 1.00 0.00 C ATOM 239 CE2 PHE A 15 20.640 5.339 5.943 1.00 0.00 C ATOM 240 CZ PHE A 15 20.555 6.668 5.511 1.00 0.00 C ATOM 0 H PHE A 15 22.850 3.013 0.581 1.00 0.00 H new ATOM 0 HA PHE A 15 23.633 4.930 2.549 1.00 0.00 H new ATOM 0 HB2 PHE A 15 21.333 3.615 1.900 1.00 0.00 H new ATOM 0 HB3 PHE A 15 21.831 2.630 3.261 1.00 0.00 H new ATOM 0 HD1 PHE A 15 21.654 6.271 2.315 1.00 0.00 H new ATOM 0 HD2 PHE A 15 21.155 3.319 5.397 1.00 0.00 H new ATOM 0 HE1 PHE A 15 20.854 8.029 3.869 1.00 0.00 H new ATOM 0 HE2 PHE A 15 20.359 5.080 6.953 1.00 0.00 H new ATOM 0 HZ PHE A 15 20.208 7.434 6.188 1.00 0.00 H new ATOM 250 N ILE A 16 24.458 1.796 3.162 1.00 0.00 N ATOM 251 CA ILE A 16 25.320 0.957 4.047 1.00 0.00 C ATOM 252 C ILE A 16 26.798 1.256 3.762 1.00 0.00 C ATOM 253 O ILE A 16 27.650 1.041 4.602 1.00 0.00 O ATOM 254 CB ILE A 16 25.036 -0.527 3.781 1.00 0.00 C ATOM 255 CG1 ILE A 16 23.524 -0.796 3.878 1.00 0.00 C ATOM 256 CG2 ILE A 16 25.786 -1.394 4.803 1.00 0.00 C ATOM 257 CD1 ILE A 16 23.003 -0.447 5.280 1.00 0.00 C ATOM 0 H ILE A 16 24.020 1.297 2.388 1.00 0.00 H new ATOM 0 HA ILE A 16 25.100 1.188 5.089 1.00 0.00 H new ATOM 0 HB ILE A 16 25.380 -0.780 2.778 1.00 0.00 H new ATOM 0 HG12 ILE A 16 22.995 -0.205 3.130 1.00 0.00 H new ATOM 0 HG13 ILE A 16 23.321 -1.844 3.659 1.00 0.00 H new ATOM 0 HG21 ILE A 16 25.580 -2.446 4.608 1.00 0.00 H new ATOM 0 HG22 ILE A 16 26.857 -1.212 4.718 1.00 0.00 H new ATOM 0 HG23 ILE A 16 25.454 -1.139 5.809 1.00 0.00 H new ATOM 0 HD11 ILE A 16 21.932 -0.644 5.330 1.00 0.00 H new ATOM 0 HD12 ILE A 16 23.519 -1.057 6.022 1.00 0.00 H new ATOM 0 HD13 ILE A 16 23.188 0.607 5.485 1.00 0.00 H new ATOM 269 N TYR A 17 27.108 1.749 2.587 1.00 0.00 N ATOM 270 CA TYR A 17 28.530 2.062 2.253 1.00 0.00 C ATOM 271 C TYR A 17 29.039 3.177 3.172 1.00 0.00 C ATOM 272 O TYR A 17 30.181 3.180 3.585 1.00 0.00 O ATOM 273 CB TYR A 17 28.621 2.528 0.796 1.00 0.00 C ATOM 274 CG TYR A 17 29.921 2.053 0.190 1.00 0.00 C ATOM 275 CD1 TYR A 17 29.983 0.809 -0.450 1.00 0.00 C ATOM 276 CD2 TYR A 17 31.064 2.858 0.265 1.00 0.00 C ATOM 277 CE1 TYR A 17 31.188 0.369 -1.012 1.00 0.00 C ATOM 278 CE2 TYR A 17 32.269 2.418 -0.297 1.00 0.00 C ATOM 279 CZ TYR A 17 32.331 1.175 -0.936 1.00 0.00 C ATOM 280 OH TYR A 17 33.518 0.742 -1.490 1.00 0.00 O ATOM 0 H TYR A 17 26.436 1.948 1.846 1.00 0.00 H new ATOM 0 HA TYR A 17 29.139 1.168 2.391 1.00 0.00 H new ATOM 0 HB2 TYR A 17 27.778 2.137 0.226 1.00 0.00 H new ATOM 0 HB3 TYR A 17 28.562 3.615 0.747 1.00 0.00 H new ATOM 0 HD1 TYR A 17 29.101 0.189 -0.510 1.00 0.00 H new ATOM 0 HD2 TYR A 17 31.016 3.819 0.756 1.00 0.00 H new ATOM 0 HE1 TYR A 17 31.236 -0.591 -1.504 1.00 0.00 H new ATOM 0 HE2 TYR A 17 33.151 3.039 -0.237 1.00 0.00 H new ATOM 0 HH TYR A 17 34.211 1.421 -1.350 1.00 0.00 H new ATOM 290 N PHE A 18 28.195 4.126 3.484 1.00 0.00 N ATOM 291 CA PHE A 18 28.611 5.257 4.367 1.00 0.00 C ATOM 292 C PHE A 18 28.460 4.861 5.836 1.00 0.00 C ATOM 293 O PHE A 18 29.223 5.275 6.684 1.00 0.00 O ATOM 294 CB PHE A 18 27.705 6.456 4.089 1.00 0.00 C ATOM 295 CG PHE A 18 28.451 7.740 4.364 1.00 0.00 C ATOM 296 CD1 PHE A 18 28.782 8.088 5.679 1.00 0.00 C ATOM 297 CD2 PHE A 18 28.806 8.587 3.306 1.00 0.00 C ATOM 298 CE1 PHE A 18 29.468 9.281 5.937 1.00 0.00 C ATOM 299 CE2 PHE A 18 29.490 9.781 3.564 1.00 0.00 C ATOM 300 CZ PHE A 18 29.822 10.127 4.879 1.00 0.00 C ATOM 0 H PHE A 18 27.228 4.166 3.162 1.00 0.00 H new ATOM 0 HA PHE A 18 29.653 5.506 4.165 1.00 0.00 H new ATOM 0 HB2 PHE A 18 27.369 6.436 3.052 1.00 0.00 H new ATOM 0 HB3 PHE A 18 26.814 6.402 4.714 1.00 0.00 H new ATOM 0 HD1 PHE A 18 28.508 7.436 6.495 1.00 0.00 H new ATOM 0 HD2 PHE A 18 28.552 8.319 2.291 1.00 0.00 H new ATOM 0 HE1 PHE A 18 29.724 9.549 6.952 1.00 0.00 H new ATOM 0 HE2 PHE A 18 29.761 10.435 2.749 1.00 0.00 H new ATOM 0 HZ PHE A 18 30.352 11.047 5.078 1.00 0.00 H new ATOM 310 N ALA A 19 27.460 4.084 6.135 1.00 0.00 N ATOM 311 CA ALA A 19 27.207 3.666 7.547 1.00 0.00 C ATOM 312 C ALA A 19 28.392 2.876 8.114 1.00 0.00 C ATOM 313 O ALA A 19 28.964 3.235 9.126 1.00 0.00 O ATOM 314 CB ALA A 19 25.960 2.781 7.581 1.00 0.00 C ATOM 0 H ALA A 19 26.796 3.714 5.455 1.00 0.00 H new ATOM 0 HA ALA A 19 27.067 4.560 8.154 1.00 0.00 H new ATOM 0 HB1 ALA A 19 25.764 2.468 8.607 1.00 0.00 H new ATOM 0 HB2 ALA A 19 25.105 3.342 7.203 1.00 0.00 H new ATOM 0 HB3 ALA A 19 26.121 1.901 6.958 1.00 0.00 H new ATOM 320 N ALA A 20 28.731 1.784 7.489 1.00 0.00 N ATOM 321 CA ALA A 20 29.845 0.923 7.992 1.00 0.00 C ATOM 322 C ALA A 20 31.196 1.638 7.911 1.00 0.00 C ATOM 323 O ALA A 20 31.935 1.700 8.875 1.00 0.00 O ATOM 324 CB ALA A 20 29.912 -0.342 7.138 1.00 0.00 C ATOM 0 H ALA A 20 28.280 1.444 6.640 1.00 0.00 H new ATOM 0 HA ALA A 20 29.645 0.686 9.037 1.00 0.00 H new ATOM 0 HB1 ALA A 20 30.721 -0.979 7.495 1.00 0.00 H new ATOM 0 HB2 ALA A 20 28.967 -0.880 7.211 1.00 0.00 H new ATOM 0 HB3 ALA A 20 30.096 -0.070 6.099 1.00 0.00 H new ATOM 330 N LEU A 21 31.538 2.126 6.756 1.00 0.00 N ATOM 331 CA LEU A 21 32.864 2.796 6.570 1.00 0.00 C ATOM 332 C LEU A 21 32.928 4.157 7.284 1.00 0.00 C ATOM 333 O LEU A 21 33.991 4.731 7.406 1.00 0.00 O ATOM 334 CB LEU A 21 33.107 3.001 5.070 1.00 0.00 C ATOM 335 CG LEU A 21 34.047 1.914 4.539 1.00 0.00 C ATOM 336 CD1 LEU A 21 33.370 0.547 4.654 1.00 0.00 C ATOM 337 CD2 LEU A 21 34.372 2.197 3.069 1.00 0.00 C ATOM 0 H LEU A 21 30.954 2.092 5.920 1.00 0.00 H new ATOM 0 HA LEU A 21 33.631 2.157 7.006 1.00 0.00 H new ATOM 0 HB2 LEU A 21 32.160 2.969 4.532 1.00 0.00 H new ATOM 0 HB3 LEU A 21 33.540 3.986 4.894 1.00 0.00 H new ATOM 0 HG LEU A 21 34.966 1.913 5.125 1.00 0.00 H new ATOM 0 HD11 LEU A 21 34.041 -0.224 4.276 1.00 0.00 H new ATOM 0 HD12 LEU A 21 33.136 0.344 5.699 1.00 0.00 H new ATOM 0 HD13 LEU A 21 32.450 0.546 4.069 1.00 0.00 H new ATOM 0 HD21 LEU A 21 35.041 1.425 2.689 1.00 0.00 H new ATOM 0 HD22 LEU A 21 33.451 2.198 2.486 1.00 0.00 H new ATOM 0 HD23 LEU A 21 34.856 3.170 2.984 1.00 0.00 H new ATOM 349 N SER A 22 31.822 4.691 7.738 1.00 0.00 N ATOM 350 CA SER A 22 31.869 6.030 8.416 1.00 0.00 C ATOM 351 C SER A 22 32.784 5.971 9.660 1.00 0.00 C ATOM 352 O SER A 22 33.772 6.675 9.716 1.00 0.00 O ATOM 353 CB SER A 22 30.445 6.465 8.805 1.00 0.00 C ATOM 354 OG SER A 22 30.477 7.272 9.980 1.00 0.00 O ATOM 0 H SER A 22 30.897 4.267 7.672 1.00 0.00 H new ATOM 0 HA SER A 22 32.283 6.766 7.727 1.00 0.00 H new ATOM 0 HB2 SER A 22 29.991 7.022 7.985 1.00 0.00 H new ATOM 0 HB3 SER A 22 29.823 5.586 8.976 1.00 0.00 H new ATOM 0 HG SER A 22 29.565 7.543 10.216 1.00 0.00 H new ATOM 360 N PRO A 23 32.437 5.145 10.622 1.00 0.00 N ATOM 361 CA PRO A 23 33.197 4.953 11.914 1.00 0.00 C ATOM 362 C PRO A 23 34.513 4.220 11.674 1.00 0.00 C ATOM 363 O PRO A 23 35.579 4.704 11.997 1.00 0.00 O ATOM 364 CB PRO A 23 32.298 4.116 12.809 1.00 0.00 C ATOM 365 CG PRO A 23 31.355 3.375 11.896 1.00 0.00 C ATOM 366 CD PRO A 23 31.233 4.228 10.639 1.00 0.00 C ATOM 0 HA PRO A 23 33.443 5.915 12.364 1.00 0.00 H new ATOM 0 HB2 PRO A 23 32.886 3.420 13.407 1.00 0.00 H new ATOM 0 HB3 PRO A 23 31.747 4.748 13.505 1.00 0.00 H new ATOM 0 HG2 PRO A 23 31.740 2.383 11.659 1.00 0.00 H new ATOM 0 HG3 PRO A 23 30.383 3.235 12.369 1.00 0.00 H new ATOM 0 HD2 PRO A 23 31.209 3.602 9.747 1.00 0.00 H new ATOM 0 HD3 PRO A 23 30.307 4.804 10.649 1.00 0.00 H new ATOM 374 N ALA A 24 34.428 3.040 11.130 1.00 0.00 N ATOM 375 CA ALA A 24 35.648 2.204 10.866 1.00 0.00 C ATOM 376 C ALA A 24 36.772 3.033 10.223 1.00 0.00 C ATOM 377 O ALA A 24 37.940 2.739 10.397 1.00 0.00 O ATOM 378 CB ALA A 24 35.272 1.059 9.926 1.00 0.00 C ATOM 0 H ALA A 24 33.550 2.604 10.849 1.00 0.00 H new ATOM 0 HA ALA A 24 36.011 1.819 11.819 1.00 0.00 H new ATOM 0 HB1 ALA A 24 36.152 0.447 9.729 1.00 0.00 H new ATOM 0 HB2 ALA A 24 34.500 0.446 10.390 1.00 0.00 H new ATOM 0 HB3 ALA A 24 34.896 1.467 8.988 1.00 0.00 H new ATOM 384 N ILE A 25 36.428 4.060 9.490 1.00 0.00 N ATOM 385 CA ILE A 25 37.478 4.904 8.842 1.00 0.00 C ATOM 386 C ILE A 25 38.283 5.625 9.942 1.00 0.00 C ATOM 387 O ILE A 25 39.499 5.585 9.954 1.00 0.00 O ATOM 388 CB ILE A 25 36.790 5.893 7.848 1.00 0.00 C ATOM 389 CG1 ILE A 25 36.987 5.381 6.412 1.00 0.00 C ATOM 390 CG2 ILE A 25 37.369 7.320 7.931 1.00 0.00 C ATOM 391 CD1 ILE A 25 36.346 3.998 6.244 1.00 0.00 C ATOM 0 H ILE A 25 35.467 4.351 9.312 1.00 0.00 H new ATOM 0 HA ILE A 25 38.178 4.299 8.266 1.00 0.00 H new ATOM 0 HB ILE A 25 35.736 5.939 8.120 1.00 0.00 H new ATOM 0 HG12 ILE A 25 36.544 6.082 5.705 1.00 0.00 H new ATOM 0 HG13 ILE A 25 38.051 5.326 6.182 1.00 0.00 H new ATOM 0 HG21 ILE A 25 36.853 7.964 7.218 1.00 0.00 H new ATOM 0 HG22 ILE A 25 37.231 7.711 8.939 1.00 0.00 H new ATOM 0 HG23 ILE A 25 38.433 7.295 7.694 1.00 0.00 H new ATOM 0 HD11 ILE A 25 36.494 3.650 5.222 1.00 0.00 H new ATOM 0 HD12 ILE A 25 36.809 3.296 6.937 1.00 0.00 H new ATOM 0 HD13 ILE A 25 35.278 4.064 6.453 1.00 0.00 H new ATOM 403 N THR A 26 37.611 6.283 10.853 1.00 0.00 N ATOM 404 CA THR A 26 38.333 7.009 11.941 1.00 0.00 C ATOM 405 C THR A 26 38.968 6.003 12.904 1.00 0.00 C ATOM 406 O THR A 26 40.177 5.918 13.015 1.00 0.00 O ATOM 407 CB THR A 26 37.347 7.892 12.709 1.00 0.00 C ATOM 408 OG1 THR A 26 36.525 8.595 11.788 1.00 0.00 O ATOM 409 CG2 THR A 26 38.120 8.892 13.573 1.00 0.00 C ATOM 0 H THR A 26 36.594 6.349 10.890 1.00 0.00 H new ATOM 0 HA THR A 26 39.113 7.629 11.500 1.00 0.00 H new ATOM 0 HB THR A 26 36.723 7.268 13.349 1.00 0.00 H new ATOM 0 HG1 THR A 26 35.892 9.159 12.279 1.00 0.00 H new ATOM 0 HG21 THR A 26 37.417 9.520 14.120 1.00 0.00 H new ATOM 0 HG22 THR A 26 38.749 8.352 14.280 1.00 0.00 H new ATOM 0 HG23 THR A 26 38.745 9.517 12.935 1.00 0.00 H new ATOM 417 N PHE A 27 38.161 5.249 13.605 1.00 0.00 N ATOM 418 CA PHE A 27 38.708 4.251 14.571 1.00 0.00 C ATOM 419 C PHE A 27 39.122 2.981 13.821 1.00 0.00 C ATOM 420 O PHE A 27 38.289 2.207 13.388 1.00 0.00 O ATOM 421 CB PHE A 27 37.632 3.912 15.613 1.00 0.00 C ATOM 422 CG PHE A 27 38.243 3.904 16.995 1.00 0.00 C ATOM 423 CD1 PHE A 27 38.924 2.770 17.452 1.00 0.00 C ATOM 424 CD2 PHE A 27 38.126 5.030 17.819 1.00 0.00 C ATOM 425 CE1 PHE A 27 39.489 2.761 18.733 1.00 0.00 C ATOM 426 CE2 PHE A 27 38.690 5.022 19.100 1.00 0.00 C ATOM 427 CZ PHE A 27 39.372 3.887 19.557 1.00 0.00 C ATOM 0 H PHE A 27 37.143 5.282 13.549 1.00 0.00 H new ATOM 0 HA PHE A 27 39.581 4.669 15.073 1.00 0.00 H new ATOM 0 HB2 PHE A 27 36.825 4.643 15.567 1.00 0.00 H new ATOM 0 HB3 PHE A 27 37.194 2.938 15.393 1.00 0.00 H new ATOM 0 HD1 PHE A 27 39.014 1.902 16.816 1.00 0.00 H new ATOM 0 HD2 PHE A 27 37.600 5.905 17.466 1.00 0.00 H new ATOM 0 HE1 PHE A 27 40.015 1.886 19.085 1.00 0.00 H new ATOM 0 HE2 PHE A 27 38.599 5.890 19.736 1.00 0.00 H new ATOM 0 HZ PHE A 27 39.808 3.880 20.545 1.00 0.00 H new ATOM 437 N GLY A 28 40.405 2.763 13.669 1.00 0.00 N ATOM 438 CA GLY A 28 40.887 1.544 12.953 1.00 0.00 C ATOM 439 C GLY A 28 40.380 1.559 11.509 1.00 0.00 C ATOM 440 O GLY A 28 40.414 2.576 10.843 1.00 0.00 O ATOM 0 H GLY A 28 41.141 3.380 14.012 1.00 0.00 H new ATOM 0 HA2 GLY A 28 41.976 1.510 12.966 1.00 0.00 H new ATOM 0 HA3 GLY A 28 40.534 0.648 13.463 1.00 0.00 H new ATOM 444 N GLY A 29 39.910 0.437 11.024 1.00 0.00 N ATOM 445 CA GLY A 29 39.399 0.378 9.625 1.00 0.00 C ATOM 446 C GLY A 29 40.111 -0.732 8.841 1.00 0.00 C ATOM 447 O GLY A 29 39.656 -1.136 7.787 1.00 0.00 O ATOM 0 H GLY A 29 39.859 -0.441 11.540 1.00 0.00 H new ATOM 0 HA2 GLY A 29 38.324 0.196 9.631 1.00 0.00 H new ATOM 0 HA3 GLY A 29 39.557 1.338 9.133 1.00 0.00 H new ATOM 451 N LEU A 30 41.222 -1.228 9.337 1.00 0.00 N ATOM 452 CA LEU A 30 41.954 -2.307 8.609 1.00 0.00 C ATOM 453 C LEU A 30 41.440 -3.679 9.065 1.00 0.00 C ATOM 454 O LEU A 30 42.209 -4.562 9.402 1.00 0.00 O ATOM 455 CB LEU A 30 43.453 -2.192 8.903 1.00 0.00 C ATOM 456 CG LEU A 30 44.249 -2.603 7.663 1.00 0.00 C ATOM 457 CD1 LEU A 30 45.676 -2.065 7.770 1.00 0.00 C ATOM 458 CD2 LEU A 30 44.286 -4.130 7.566 1.00 0.00 C ATOM 0 H LEU A 30 41.650 -0.930 10.214 1.00 0.00 H new ATOM 0 HA LEU A 30 41.786 -2.201 7.537 1.00 0.00 H new ATOM 0 HB2 LEU A 30 43.702 -1.169 9.185 1.00 0.00 H new ATOM 0 HB3 LEU A 30 43.719 -2.829 9.747 1.00 0.00 H new ATOM 0 HG LEU A 30 43.773 -2.192 6.773 1.00 0.00 H new ATOM 0 HD11 LEU A 30 46.243 -2.358 6.886 1.00 0.00 H new ATOM 0 HD12 LEU A 30 45.651 -0.978 7.840 1.00 0.00 H new ATOM 0 HD13 LEU A 30 46.154 -2.475 8.660 1.00 0.00 H new ATOM 0 HD21 LEU A 30 44.853 -4.425 6.683 1.00 0.00 H new ATOM 0 HD22 LEU A 30 44.763 -4.540 8.457 1.00 0.00 H new ATOM 0 HD23 LEU A 30 43.269 -4.514 7.489 1.00 0.00 H new ATOM 470 N LEU A 31 40.144 -3.863 9.069 1.00 0.00 N ATOM 471 CA LEU A 31 39.567 -5.171 9.493 1.00 0.00 C ATOM 472 C LEU A 31 39.426 -6.079 8.270 1.00 0.00 C ATOM 473 O LEU A 31 40.165 -7.031 8.104 1.00 0.00 O ATOM 474 CB LEU A 31 38.191 -4.938 10.121 1.00 0.00 C ATOM 475 CG LEU A 31 38.360 -4.472 11.571 1.00 0.00 C ATOM 476 CD1 LEU A 31 37.291 -3.429 11.903 1.00 0.00 C ATOM 477 CD2 LEU A 31 38.210 -5.669 12.513 1.00 0.00 C ATOM 0 H LEU A 31 39.459 -3.159 8.795 1.00 0.00 H new ATOM 0 HA LEU A 31 40.223 -5.644 10.224 1.00 0.00 H new ATOM 0 HB2 LEU A 31 37.641 -4.190 9.550 1.00 0.00 H new ATOM 0 HB3 LEU A 31 37.605 -5.857 10.090 1.00 0.00 H new ATOM 0 HG LEU A 31 39.349 -4.031 11.695 1.00 0.00 H new ATOM 0 HD11 LEU A 31 37.413 -3.099 12.935 1.00 0.00 H new ATOM 0 HD12 LEU A 31 37.396 -2.575 11.234 1.00 0.00 H new ATOM 0 HD13 LEU A 31 36.302 -3.869 11.777 1.00 0.00 H new ATOM 0 HD21 LEU A 31 38.330 -5.338 13.544 1.00 0.00 H new ATOM 0 HD22 LEU A 31 37.221 -6.110 12.386 1.00 0.00 H new ATOM 0 HD23 LEU A 31 38.972 -6.413 12.280 1.00 0.00 H new ATOM 489 N GLY A 32 38.484 -5.784 7.411 1.00 0.00 N ATOM 490 CA GLY A 32 38.286 -6.617 6.189 1.00 0.00 C ATOM 491 C GLY A 32 38.337 -5.719 4.952 1.00 0.00 C ATOM 492 O GLY A 32 37.318 -5.306 4.431 1.00 0.00 O ATOM 0 H GLY A 32 37.841 -4.998 7.505 1.00 0.00 H new ATOM 0 HA2 GLY A 32 39.059 -7.384 6.128 1.00 0.00 H new ATOM 0 HA3 GLY A 32 37.327 -7.134 6.238 1.00 0.00 H new ATOM 496 N GLU A 33 39.519 -5.417 4.483 1.00 0.00 N ATOM 497 CA GLU A 33 39.658 -4.544 3.280 1.00 0.00 C ATOM 498 C GLU A 33 39.004 -5.223 2.074 1.00 0.00 C ATOM 499 O GLU A 33 38.527 -4.568 1.167 1.00 0.00 O ATOM 500 CB GLU A 33 41.142 -4.310 2.989 1.00 0.00 C ATOM 501 CG GLU A 33 41.323 -2.959 2.292 1.00 0.00 C ATOM 502 CD GLU A 33 42.797 -2.551 2.343 1.00 0.00 C ATOM 503 OE1 GLU A 33 43.638 -3.432 2.262 1.00 0.00 O ATOM 504 OE2 GLU A 33 43.060 -1.366 2.462 1.00 0.00 O ATOM 0 H GLU A 33 40.400 -5.740 4.884 1.00 0.00 H new ATOM 0 HA GLU A 33 39.168 -3.589 3.468 1.00 0.00 H new ATOM 0 HB2 GLU A 33 41.712 -4.331 3.918 1.00 0.00 H new ATOM 0 HB3 GLU A 33 41.530 -5.110 2.359 1.00 0.00 H new ATOM 0 HG2 GLU A 33 40.989 -3.024 1.257 1.00 0.00 H new ATOM 0 HG3 GLU A 33 40.708 -2.202 2.778 1.00 0.00 H new ATOM 511 N LYS A 34 38.982 -6.532 2.059 1.00 0.00 N ATOM 512 CA LYS A 34 38.364 -7.262 0.918 1.00 0.00 C ATOM 513 C LYS A 34 37.396 -8.320 1.451 1.00 0.00 C ATOM 514 O LYS A 34 36.472 -8.665 0.734 1.00 0.00 O ATOM 515 CB LYS A 34 39.460 -7.938 0.092 1.00 0.00 C ATOM 516 CG LYS A 34 40.315 -8.821 1.004 1.00 0.00 C ATOM 517 CD LYS A 34 41.341 -9.585 0.163 1.00 0.00 C ATOM 518 CE LYS A 34 40.695 -10.839 -0.435 1.00 0.00 C ATOM 519 NZ LYS A 34 41.018 -10.917 -1.887 1.00 0.00 N ATOM 520 OXT LYS A 34 37.596 -8.768 2.568 1.00 0.00 O ATOM 0 H LYS A 34 39.368 -7.126 2.793 1.00 0.00 H new ATOM 0 HA LYS A 34 37.818 -6.558 0.289 1.00 0.00 H new ATOM 0 HB2 LYS A 34 39.014 -8.539 -0.700 1.00 0.00 H new ATOM 0 HB3 LYS A 34 40.083 -7.185 -0.391 1.00 0.00 H new ATOM 0 HG2 LYS A 34 40.824 -8.208 1.748 1.00 0.00 H new ATOM 0 HG3 LYS A 34 39.681 -9.522 1.548 1.00 0.00 H new ATOM 0 HD2 LYS A 34 41.720 -8.945 -0.634 1.00 0.00 H new ATOM 0 HD3 LYS A 34 42.195 -9.864 0.780 1.00 0.00 H new ATOM 0 HE2 LYS A 34 41.059 -11.729 0.078 1.00 0.00 H new ATOM 0 HE3 LYS A 34 39.615 -10.808 -0.293 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 40.580 -11.768 -2.295 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 40.650 -10.073 -2.370 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 42.049 -10.965 -2.011 1.00 0.00 H new TER 534 LYS A 34