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 140:sc= -1.95 USER MOD Single : A 11 THR OG1 : rot 70:sc= 0.323 USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 SER OG : rot 77:sc= 0.11 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 16.017 -17.715 6.068 1.00 0.00 C HETATM 2 O ACE A 1 15.570 -18.678 6.661 1.00 0.00 O HETATM 3 CH3 ACE A 1 15.604 -17.413 4.626 1.00 0.00 C HETATM 0 H1 ACE A 1 15.134 -16.430 4.580 1.00 0.00 H new HETATM 0 H2 ACE A 1 16.486 -17.424 3.985 1.00 0.00 H new HETATM 0 H3 ACE A 1 14.897 -18.169 4.284 1.00 0.00 H new ATOM 7 N ARG A 2 16.871 -16.899 6.632 1.00 0.00 N ATOM 8 CA ARG A 2 17.322 -17.132 8.035 1.00 0.00 C ATOM 9 C ARG A 2 17.274 -15.825 8.836 1.00 0.00 C ATOM 10 O ARG A 2 16.934 -15.821 10.005 1.00 0.00 O ATOM 11 CB ARG A 2 18.753 -17.675 8.026 1.00 0.00 C ATOM 12 CG ARG A 2 18.718 -19.203 7.923 1.00 0.00 C ATOM 13 CD ARG A 2 18.849 -19.815 9.319 1.00 0.00 C ATOM 14 NE ARG A 2 20.287 -19.854 9.710 1.00 0.00 N ATOM 15 CZ ARG A 2 20.863 -20.997 9.967 1.00 0.00 C ATOM 16 NH1 ARG A 2 21.087 -21.847 9.003 1.00 0.00 N ATOM 17 NH2 ARG A 2 21.215 -21.289 11.190 1.00 0.00 N ATOM 0 H ARG A 2 17.276 -16.080 6.179 1.00 0.00 H new ATOM 0 HA ARG A 2 16.656 -17.856 8.505 1.00 0.00 H new ATOM 0 HB2 ARG A 2 19.307 -17.256 7.186 1.00 0.00 H new ATOM 0 HB3 ARG A 2 19.274 -17.373 8.935 1.00 0.00 H new ATOM 0 HG2 ARG A 2 17.785 -19.525 7.460 1.00 0.00 H new ATOM 0 HG3 ARG A 2 19.529 -19.553 7.284 1.00 0.00 H new ATOM 0 HD2 ARG A 2 18.281 -19.228 10.040 1.00 0.00 H new ATOM 0 HD3 ARG A 2 18.431 -20.822 9.327 1.00 0.00 H new ATOM 0 HE ARG A 2 20.821 -18.987 9.777 1.00 0.00 H new ATOM 0 HH11 ARG A 2 20.812 -21.619 8.048 1.00 0.00 H new ATOM 0 HH12 ARG A 2 21.537 -22.740 9.205 1.00 0.00 H new ATOM 0 HH21 ARG A 2 21.040 -20.624 11.944 1.00 0.00 H new ATOM 0 HH22 ARG A 2 21.665 -22.182 11.392 1.00 0.00 H new ATOM 31 N TYR A 3 17.611 -14.720 8.220 1.00 0.00 N ATOM 32 CA TYR A 3 17.587 -13.415 8.941 1.00 0.00 C ATOM 33 C TYR A 3 17.423 -12.272 7.924 1.00 0.00 C ATOM 34 O TYR A 3 18.393 -11.659 7.527 1.00 0.00 O ATOM 35 CB TYR A 3 18.898 -13.235 9.717 1.00 0.00 C ATOM 36 CG TYR A 3 18.672 -13.550 11.179 1.00 0.00 C ATOM 37 CD1 TYR A 3 17.696 -12.855 11.904 1.00 0.00 C ATOM 38 CD2 TYR A 3 19.440 -14.537 11.808 1.00 0.00 C ATOM 39 CE1 TYR A 3 17.488 -13.147 13.259 1.00 0.00 C ATOM 40 CE2 TYR A 3 19.232 -14.830 13.161 1.00 0.00 C ATOM 41 CZ TYR A 3 18.257 -14.135 13.887 1.00 0.00 C ATOM 42 OH TYR A 3 18.054 -14.423 15.222 1.00 0.00 O ATOM 0 H TYR A 3 17.903 -14.668 7.244 1.00 0.00 H new ATOM 0 HA TYR A 3 16.751 -13.399 9.640 1.00 0.00 H new ATOM 0 HB2 TYR A 3 19.667 -13.891 9.308 1.00 0.00 H new ATOM 0 HB3 TYR A 3 19.260 -12.213 9.607 1.00 0.00 H new ATOM 0 HD1 TYR A 3 17.103 -12.094 11.419 1.00 0.00 H new ATOM 0 HD2 TYR A 3 20.193 -15.073 11.249 1.00 0.00 H new ATOM 0 HE1 TYR A 3 16.736 -12.611 13.818 1.00 0.00 H new ATOM 0 HE2 TYR A 3 19.824 -15.593 13.645 1.00 0.00 H new ATOM 0 HH TYR A 3 18.669 -15.133 15.501 1.00 0.00 H new ATOM 52 N PRO A 4 16.192 -12.018 7.533 1.00 0.00 N ATOM 53 CA PRO A 4 15.792 -10.949 6.554 1.00 0.00 C ATOM 54 C PRO A 4 15.763 -9.579 7.229 1.00 0.00 C ATOM 55 O PRO A 4 16.546 -8.708 6.919 1.00 0.00 O ATOM 56 CB PRO A 4 14.403 -11.329 6.065 1.00 0.00 C ATOM 57 CG PRO A 4 13.791 -12.212 7.128 1.00 0.00 C ATOM 58 CD PRO A 4 14.939 -12.737 7.984 1.00 0.00 C ATOM 0 HA PRO A 4 16.503 -10.881 5.731 1.00 0.00 H new ATOM 0 HB2 PRO A 4 13.794 -10.440 5.903 1.00 0.00 H new ATOM 0 HB3 PRO A 4 14.459 -11.854 5.112 1.00 0.00 H new ATOM 0 HG2 PRO A 4 13.082 -11.650 7.736 1.00 0.00 H new ATOM 0 HG3 PRO A 4 13.239 -13.036 6.675 1.00 0.00 H new ATOM 0 HD2 PRO A 4 14.748 -12.552 9.041 1.00 0.00 H new ATOM 0 HD3 PRO A 4 15.048 -13.815 7.864 1.00 0.00 H new ATOM 66 N TYR A 5 14.854 -9.390 8.137 1.00 0.00 N ATOM 67 CA TYR A 5 14.741 -8.078 8.848 1.00 0.00 C ATOM 68 C TYR A 5 16.031 -7.792 9.643 1.00 0.00 C ATOM 69 O TYR A 5 16.340 -6.652 9.936 1.00 0.00 O ATOM 70 CB TYR A 5 13.533 -8.144 9.804 1.00 0.00 C ATOM 71 CG TYR A 5 13.471 -6.912 10.688 1.00 0.00 C ATOM 72 CD1 TYR A 5 13.112 -5.672 10.146 1.00 0.00 C ATOM 73 CD2 TYR A 5 13.778 -7.018 12.051 1.00 0.00 C ATOM 74 CE1 TYR A 5 13.060 -4.539 10.968 1.00 0.00 C ATOM 75 CE2 TYR A 5 13.726 -5.886 12.871 1.00 0.00 C ATOM 76 CZ TYR A 5 13.367 -4.646 12.331 1.00 0.00 C ATOM 77 OH TYR A 5 13.315 -3.527 13.141 1.00 0.00 O ATOM 0 H TYR A 5 14.173 -10.093 8.425 1.00 0.00 H new ATOM 0 HA TYR A 5 14.600 -7.275 8.125 1.00 0.00 H new ATOM 0 HB2 TYR A 5 12.612 -8.229 9.227 1.00 0.00 H new ATOM 0 HB3 TYR A 5 13.604 -9.038 10.424 1.00 0.00 H new ATOM 0 HD1 TYR A 5 12.875 -5.589 9.095 1.00 0.00 H new ATOM 0 HD2 TYR A 5 14.055 -7.975 12.469 1.00 0.00 H new ATOM 0 HE1 TYR A 5 12.783 -3.582 10.551 1.00 0.00 H new ATOM 0 HE2 TYR A 5 13.963 -5.969 13.921 1.00 0.00 H new ATOM 0 HH TYR A 5 13.555 -3.775 14.058 1.00 0.00 H new ATOM 87 N TYR A 6 16.762 -8.812 10.015 1.00 0.00 N ATOM 88 CA TYR A 6 18.005 -8.593 10.819 1.00 0.00 C ATOM 89 C TYR A 6 19.179 -8.172 9.928 1.00 0.00 C ATOM 90 O TYR A 6 19.658 -7.059 10.015 1.00 0.00 O ATOM 91 CB TYR A 6 18.362 -9.884 11.555 1.00 0.00 C ATOM 92 CG TYR A 6 19.468 -9.606 12.544 1.00 0.00 C ATOM 93 CD1 TYR A 6 19.294 -8.626 13.529 1.00 0.00 C ATOM 94 CD2 TYR A 6 20.665 -10.327 12.478 1.00 0.00 C ATOM 95 CE1 TYR A 6 20.319 -8.367 14.446 1.00 0.00 C ATOM 96 CE2 TYR A 6 21.690 -10.069 13.395 1.00 0.00 C ATOM 97 CZ TYR A 6 21.516 -9.089 14.379 1.00 0.00 C ATOM 98 OH TYR A 6 22.527 -8.834 15.283 1.00 0.00 O ATOM 0 H TYR A 6 16.553 -9.786 9.798 1.00 0.00 H new ATOM 0 HA TYR A 6 17.816 -7.791 11.532 1.00 0.00 H new ATOM 0 HB2 TYR A 6 17.486 -10.275 12.072 1.00 0.00 H new ATOM 0 HB3 TYR A 6 18.678 -10.646 10.843 1.00 0.00 H new ATOM 0 HD1 TYR A 6 18.369 -8.070 13.581 1.00 0.00 H new ATOM 0 HD2 TYR A 6 20.798 -11.083 11.719 1.00 0.00 H new ATOM 0 HE1 TYR A 6 20.186 -7.610 15.205 1.00 0.00 H new ATOM 0 HE2 TYR A 6 22.614 -10.625 13.344 1.00 0.00 H new ATOM 0 HH TYR A 6 23.288 -9.423 15.098 1.00 0.00 H new ATOM 108 N LEU A 7 19.657 -9.057 9.098 1.00 0.00 N ATOM 109 CA LEU A 7 20.818 -8.722 8.215 1.00 0.00 C ATOM 110 C LEU A 7 20.455 -7.571 7.264 1.00 0.00 C ATOM 111 O LEU A 7 21.322 -6.893 6.749 1.00 0.00 O ATOM 112 CB LEU A 7 21.204 -9.964 7.399 1.00 0.00 C ATOM 113 CG LEU A 7 22.503 -10.560 7.945 1.00 0.00 C ATOM 114 CD1 LEU A 7 22.176 -11.610 9.007 1.00 0.00 C ATOM 115 CD2 LEU A 7 23.280 -11.218 6.804 1.00 0.00 C ATOM 0 H LEU A 7 19.294 -10.004 8.990 1.00 0.00 H new ATOM 0 HA LEU A 7 21.658 -8.409 8.834 1.00 0.00 H new ATOM 0 HB2 LEU A 7 20.405 -10.704 7.447 1.00 0.00 H new ATOM 0 HB3 LEU A 7 21.329 -9.697 6.350 1.00 0.00 H new ATOM 0 HG LEU A 7 23.107 -9.769 8.389 1.00 0.00 H new ATOM 0 HD11 LEU A 7 23.101 -12.035 9.396 1.00 0.00 H new ATOM 0 HD12 LEU A 7 21.621 -11.144 9.821 1.00 0.00 H new ATOM 0 HD13 LEU A 7 21.572 -12.401 8.563 1.00 0.00 H new ATOM 0 HD21 LEU A 7 24.206 -11.643 7.192 1.00 0.00 H new ATOM 0 HD22 LEU A 7 22.675 -12.009 6.361 1.00 0.00 H new ATOM 0 HD23 LEU A 7 23.514 -10.471 6.045 1.00 0.00 H new ATOM 127 N SER A 8 19.187 -7.353 7.024 1.00 0.00 N ATOM 128 CA SER A 8 18.761 -6.258 6.096 1.00 0.00 C ATOM 129 C SER A 8 19.304 -4.907 6.571 1.00 0.00 C ATOM 130 O SER A 8 19.500 -4.002 5.784 1.00 0.00 O ATOM 131 CB SER A 8 17.235 -6.198 6.055 1.00 0.00 C ATOM 132 OG SER A 8 16.730 -6.258 7.383 1.00 0.00 O ATOM 0 H SER A 8 18.422 -7.890 7.433 1.00 0.00 H new ATOM 0 HA SER A 8 19.157 -6.467 5.102 1.00 0.00 H new ATOM 0 HB2 SER A 8 16.908 -5.278 5.570 1.00 0.00 H new ATOM 0 HB3 SER A 8 16.842 -7.026 5.466 1.00 0.00 H new ATOM 0 HG SER A 8 15.976 -5.639 7.474 1.00 0.00 H new ATOM 138 N ASP A 9 19.538 -4.764 7.848 1.00 0.00 N ATOM 139 CA ASP A 9 20.062 -3.471 8.380 1.00 0.00 C ATOM 140 C ASP A 9 21.453 -3.203 7.797 1.00 0.00 C ATOM 141 O ASP A 9 21.683 -2.197 7.154 1.00 0.00 O ATOM 142 CB ASP A 9 20.155 -3.553 9.908 1.00 0.00 C ATOM 143 CG ASP A 9 18.974 -2.812 10.537 1.00 0.00 C ATOM 144 OD1 ASP A 9 19.028 -1.594 10.596 1.00 0.00 O ATOM 145 OD2 ASP A 9 18.036 -3.474 10.948 1.00 0.00 O ATOM 0 H ASP A 9 19.388 -5.490 8.549 1.00 0.00 H new ATOM 0 HA ASP A 9 19.390 -2.661 8.097 1.00 0.00 H new ATOM 0 HB2 ASP A 9 20.154 -4.595 10.227 1.00 0.00 H new ATOM 0 HB3 ASP A 9 21.094 -3.116 10.249 1.00 0.00 H new ATOM 150 N ILE A 10 22.377 -4.102 8.022 1.00 0.00 N ATOM 151 CA ILE A 10 23.761 -3.918 7.487 1.00 0.00 C ATOM 152 C ILE A 10 23.733 -3.928 5.951 1.00 0.00 C ATOM 153 O ILE A 10 24.658 -3.466 5.310 1.00 0.00 O ATOM 154 CB ILE A 10 24.662 -5.062 7.979 1.00 0.00 C ATOM 155 CG1 ILE A 10 24.586 -5.187 9.514 1.00 0.00 C ATOM 156 CG2 ILE A 10 26.111 -4.796 7.553 1.00 0.00 C ATOM 157 CD1 ILE A 10 25.035 -3.881 10.179 1.00 0.00 C ATOM 0 H ILE A 10 22.232 -4.959 8.555 1.00 0.00 H new ATOM 0 HA ILE A 10 24.152 -2.963 7.839 1.00 0.00 H new ATOM 0 HB ILE A 10 24.317 -5.996 7.535 1.00 0.00 H new ATOM 0 HG12 ILE A 10 23.566 -5.424 9.816 1.00 0.00 H new ATOM 0 HG13 ILE A 10 25.217 -6.010 9.850 1.00 0.00 H new ATOM 0 HG21 ILE A 10 26.748 -5.608 7.903 1.00 0.00 H new ATOM 0 HG22 ILE A 10 26.165 -4.735 6.466 1.00 0.00 H new ATOM 0 HG23 ILE A 10 26.451 -3.856 7.987 1.00 0.00 H new ATOM 0 HD11 ILE A 10 24.976 -3.985 11.262 1.00 0.00 H new ATOM 0 HD12 ILE A 10 26.063 -3.661 9.891 1.00 0.00 H new ATOM 0 HD13 ILE A 10 24.386 -3.067 9.857 1.00 0.00 H new ATOM 169 N THR A 11 22.688 -4.456 5.354 1.00 0.00 N ATOM 170 CA THR A 11 22.613 -4.501 3.861 1.00 0.00 C ATOM 171 C THR A 11 22.295 -3.107 3.311 1.00 0.00 C ATOM 172 O THR A 11 22.821 -2.702 2.291 1.00 0.00 O ATOM 173 CB THR A 11 21.511 -5.475 3.431 1.00 0.00 C ATOM 174 OG1 THR A 11 21.497 -6.594 4.303 1.00 0.00 O ATOM 175 CG2 THR A 11 21.774 -5.949 2.002 1.00 0.00 C ATOM 0 H THR A 11 21.885 -4.857 5.839 1.00 0.00 H new ATOM 0 HA THR A 11 23.573 -4.835 3.468 1.00 0.00 H new ATOM 0 HB THR A 11 20.547 -4.968 3.474 1.00 0.00 H new ATOM 0 HG1 THR A 11 21.177 -6.316 5.187 1.00 0.00 H new ATOM 0 HG21 THR A 11 20.989 -6.642 1.698 1.00 0.00 H new ATOM 0 HG22 THR A 11 21.781 -5.091 1.330 1.00 0.00 H new ATOM 0 HG23 THR A 11 22.740 -6.453 1.958 1.00 0.00 H new ATOM 183 N ASP A 12 21.438 -2.377 3.976 1.00 0.00 N ATOM 184 CA ASP A 12 21.078 -1.010 3.496 1.00 0.00 C ATOM 185 C ASP A 12 22.298 -0.098 3.610 1.00 0.00 C ATOM 186 O ASP A 12 22.573 0.701 2.735 1.00 0.00 O ATOM 187 CB ASP A 12 19.934 -0.454 4.353 1.00 0.00 C ATOM 188 CG ASP A 12 18.926 0.272 3.459 1.00 0.00 C ATOM 189 OD1 ASP A 12 18.081 -0.398 2.888 1.00 0.00 O ATOM 190 OD2 ASP A 12 19.016 1.484 3.360 1.00 0.00 O ATOM 0 H ASP A 12 20.970 -2.670 4.834 1.00 0.00 H new ATOM 0 HA ASP A 12 20.758 -1.058 2.455 1.00 0.00 H new ATOM 0 HB2 ASP A 12 19.441 -1.265 4.889 1.00 0.00 H new ATOM 0 HB3 ASP A 12 20.329 0.231 5.103 1.00 0.00 H new ATOM 195 N VAL A 13 23.030 -0.219 4.686 1.00 0.00 N ATOM 196 CA VAL A 13 24.242 0.628 4.878 1.00 0.00 C ATOM 197 C VAL A 13 25.260 0.309 3.778 1.00 0.00 C ATOM 198 O VAL A 13 25.793 1.196 3.138 1.00 0.00 O ATOM 199 CB VAL A 13 24.853 0.336 6.248 1.00 0.00 C ATOM 200 CG1 VAL A 13 26.028 1.287 6.499 1.00 0.00 C ATOM 201 CG2 VAL A 13 23.793 0.529 7.341 1.00 0.00 C ATOM 0 H VAL A 13 22.838 -0.873 5.445 1.00 0.00 H new ATOM 0 HA VAL A 13 23.968 1.682 4.824 1.00 0.00 H new ATOM 0 HB VAL A 13 25.209 -0.694 6.271 1.00 0.00 H new ATOM 0 HG11 VAL A 13 26.463 1.078 7.476 1.00 0.00 H new ATOM 0 HG12 VAL A 13 26.784 1.143 5.727 1.00 0.00 H new ATOM 0 HG13 VAL A 13 25.674 2.318 6.472 1.00 0.00 H new ATOM 0 HG21 VAL A 13 24.233 0.320 8.316 1.00 0.00 H new ATOM 0 HG22 VAL A 13 23.431 1.557 7.319 1.00 0.00 H new ATOM 0 HG23 VAL A 13 22.961 -0.152 7.165 1.00 0.00 H new ATOM 211 N ILE A 14 25.527 -0.953 3.555 1.00 0.00 N ATOM 212 CA ILE A 14 26.503 -1.346 2.494 1.00 0.00 C ATOM 213 C ILE A 14 25.919 -1.040 1.105 1.00 0.00 C ATOM 214 O ILE A 14 26.638 -0.990 0.124 1.00 0.00 O ATOM 215 CB ILE A 14 26.796 -2.847 2.611 1.00 0.00 C ATOM 216 CG1 ILE A 14 27.317 -3.157 4.017 1.00 0.00 C ATOM 217 CG2 ILE A 14 27.854 -3.251 1.582 1.00 0.00 C ATOM 218 CD1 ILE A 14 27.300 -4.670 4.247 1.00 0.00 C ATOM 0 H ILE A 14 25.109 -1.731 4.065 1.00 0.00 H new ATOM 0 HA ILE A 14 27.426 -0.780 2.622 1.00 0.00 H new ATOM 0 HB ILE A 14 25.879 -3.406 2.426 1.00 0.00 H new ATOM 0 HG12 ILE A 14 28.330 -2.772 4.134 1.00 0.00 H new ATOM 0 HG13 ILE A 14 26.699 -2.658 4.763 1.00 0.00 H new ATOM 0 HG21 ILE A 14 28.058 -4.318 1.670 1.00 0.00 H new ATOM 0 HG22 ILE A 14 27.488 -3.033 0.579 1.00 0.00 H new ATOM 0 HG23 ILE A 14 28.771 -2.690 1.763 1.00 0.00 H new ATOM 0 HD11 ILE A 14 27.671 -4.890 5.248 1.00 0.00 H new ATOM 0 HD12 ILE A 14 26.280 -5.042 4.148 1.00 0.00 H new ATOM 0 HD13 ILE A 14 27.937 -5.157 3.509 1.00 0.00 H new ATOM 230 N PHE A 15 24.625 -0.844 1.012 1.00 0.00 N ATOM 231 CA PHE A 15 23.999 -0.550 -0.311 1.00 0.00 C ATOM 232 C PHE A 15 24.453 0.826 -0.806 1.00 0.00 C ATOM 233 O PHE A 15 24.919 0.969 -1.921 1.00 0.00 O ATOM 234 CB PHE A 15 22.475 -0.562 -0.161 1.00 0.00 C ATOM 235 CG PHE A 15 21.832 -0.712 -1.518 1.00 0.00 C ATOM 236 CD1 PHE A 15 21.708 -1.980 -2.098 1.00 0.00 C ATOM 237 CD2 PHE A 15 21.351 0.416 -2.193 1.00 0.00 C ATOM 238 CE1 PHE A 15 21.107 -2.119 -3.354 1.00 0.00 C ATOM 239 CE2 PHE A 15 20.749 0.278 -3.448 1.00 0.00 C ATOM 240 CZ PHE A 15 20.625 -0.991 -4.029 1.00 0.00 C ATOM 0 H PHE A 15 23.976 -0.876 1.799 1.00 0.00 H new ATOM 0 HA PHE A 15 24.304 -1.308 -1.033 1.00 0.00 H new ATOM 0 HB2 PHE A 15 22.170 -1.382 0.489 1.00 0.00 H new ATOM 0 HB3 PHE A 15 22.139 0.361 0.311 1.00 0.00 H new ATOM 0 HD1 PHE A 15 22.076 -2.851 -1.576 1.00 0.00 H new ATOM 0 HD2 PHE A 15 21.445 1.394 -1.744 1.00 0.00 H new ATOM 0 HE1 PHE A 15 21.015 -3.097 -3.803 1.00 0.00 H new ATOM 0 HE2 PHE A 15 20.380 1.149 -3.969 1.00 0.00 H new ATOM 0 HZ PHE A 15 20.158 -1.099 -4.997 1.00 0.00 H new ATOM 250 N ILE A 16 24.315 1.838 0.011 1.00 0.00 N ATOM 251 CA ILE A 16 24.731 3.210 -0.412 1.00 0.00 C ATOM 252 C ILE A 16 26.254 3.351 -0.320 1.00 0.00 C ATOM 253 O ILE A 16 26.843 4.187 -0.978 1.00 0.00 O ATOM 254 CB ILE A 16 24.074 4.254 0.496 1.00 0.00 C ATOM 255 CG1 ILE A 16 22.564 3.978 0.601 1.00 0.00 C ATOM 256 CG2 ILE A 16 24.300 5.649 -0.095 1.00 0.00 C ATOM 257 CD1 ILE A 16 22.254 3.313 1.945 1.00 0.00 C ATOM 0 H ILE A 16 23.932 1.774 0.954 1.00 0.00 H new ATOM 0 HA ILE A 16 24.415 3.369 -1.443 1.00 0.00 H new ATOM 0 HB ILE A 16 24.516 4.200 1.491 1.00 0.00 H new ATOM 0 HG12 ILE A 16 22.007 4.910 0.508 1.00 0.00 H new ATOM 0 HG13 ILE A 16 22.245 3.333 -0.217 1.00 0.00 H new ATOM 0 HG21 ILE A 16 23.834 6.396 0.548 1.00 0.00 H new ATOM 0 HG22 ILE A 16 25.370 5.846 -0.164 1.00 0.00 H new ATOM 0 HG23 ILE A 16 23.857 5.699 -1.090 1.00 0.00 H new ATOM 0 HD11 ILE A 16 21.184 3.119 2.017 1.00 0.00 H new ATOM 0 HD12 ILE A 16 22.799 2.372 2.020 1.00 0.00 H new ATOM 0 HD13 ILE A 16 22.558 3.974 2.757 1.00 0.00 H new ATOM 269 N TYR A 17 26.895 2.549 0.493 1.00 0.00 N ATOM 270 CA TYR A 17 28.378 2.645 0.631 1.00 0.00 C ATOM 271 C TYR A 17 29.052 2.213 -0.675 1.00 0.00 C ATOM 272 O TYR A 17 30.025 2.804 -1.103 1.00 0.00 O ATOM 273 CB TYR A 17 28.843 1.734 1.767 1.00 0.00 C ATOM 274 CG TYR A 17 30.149 2.251 2.321 1.00 0.00 C ATOM 275 CD1 TYR A 17 30.188 3.482 2.987 1.00 0.00 C ATOM 276 CD2 TYR A 17 31.320 1.500 2.169 1.00 0.00 C ATOM 277 CE1 TYR A 17 31.398 3.961 3.501 1.00 0.00 C ATOM 278 CE2 TYR A 17 32.530 1.979 2.683 1.00 0.00 C ATOM 279 CZ TYR A 17 32.569 3.210 3.349 1.00 0.00 C ATOM 280 OH TYR A 17 33.761 3.682 3.858 1.00 0.00 O ATOM 0 H TYR A 17 26.453 1.831 1.067 1.00 0.00 H new ATOM 0 HA TYR A 17 28.651 3.677 0.852 1.00 0.00 H new ATOM 0 HB2 TYR A 17 28.089 1.701 2.554 1.00 0.00 H new ATOM 0 HB3 TYR A 17 28.968 0.714 1.402 1.00 0.00 H new ATOM 0 HD1 TYR A 17 29.284 4.062 3.104 1.00 0.00 H new ATOM 0 HD2 TYR A 17 31.290 0.551 1.655 1.00 0.00 H new ATOM 0 HE1 TYR A 17 31.428 4.910 4.015 1.00 0.00 H new ATOM 0 HE2 TYR A 17 33.434 1.399 2.566 1.00 0.00 H new ATOM 0 HH TYR A 17 34.476 3.039 3.667 1.00 0.00 H new ATOM 290 N PHE A 18 28.545 1.184 -1.305 1.00 0.00 N ATOM 291 CA PHE A 18 29.156 0.702 -2.580 1.00 0.00 C ATOM 292 C PHE A 18 28.585 1.499 -3.759 1.00 0.00 C ATOM 293 O PHE A 18 29.250 1.712 -4.754 1.00 0.00 O ATOM 294 CB PHE A 18 28.840 -0.791 -2.760 1.00 0.00 C ATOM 295 CG PHE A 18 30.092 -1.613 -2.552 1.00 0.00 C ATOM 296 CD1 PHE A 18 31.070 -1.663 -3.553 1.00 0.00 C ATOM 297 CD2 PHE A 18 30.275 -2.324 -1.359 1.00 0.00 C ATOM 298 CE1 PHE A 18 32.230 -2.424 -3.363 1.00 0.00 C ATOM 299 CE2 PHE A 18 31.435 -3.086 -1.170 1.00 0.00 C ATOM 300 CZ PHE A 18 32.412 -3.135 -2.171 1.00 0.00 C ATOM 0 H PHE A 18 27.732 0.655 -0.990 1.00 0.00 H new ATOM 0 HA PHE A 18 30.236 0.843 -2.544 1.00 0.00 H new ATOM 0 HB2 PHE A 18 28.072 -1.097 -2.050 1.00 0.00 H new ATOM 0 HB3 PHE A 18 28.440 -0.969 -3.758 1.00 0.00 H new ATOM 0 HD1 PHE A 18 30.929 -1.114 -4.472 1.00 0.00 H new ATOM 0 HD2 PHE A 18 29.522 -2.285 -0.586 1.00 0.00 H new ATOM 0 HE1 PHE A 18 32.984 -2.462 -4.136 1.00 0.00 H new ATOM 0 HE2 PHE A 18 31.576 -3.636 -0.251 1.00 0.00 H new ATOM 0 HZ PHE A 18 33.307 -3.722 -2.024 1.00 0.00 H new ATOM 310 N ALA A 19 27.356 1.931 -3.651 1.00 0.00 N ATOM 311 CA ALA A 19 26.724 2.711 -4.758 1.00 0.00 C ATOM 312 C ALA A 19 27.515 3.995 -5.013 1.00 0.00 C ATOM 313 O ALA A 19 27.918 4.275 -6.120 1.00 0.00 O ATOM 314 CB ALA A 19 25.296 3.081 -4.358 1.00 0.00 C ATOM 0 H ALA A 19 26.759 1.776 -2.839 1.00 0.00 H new ATOM 0 HA ALA A 19 26.718 2.105 -5.664 1.00 0.00 H new ATOM 0 HB1 ALA A 19 24.829 3.650 -5.162 1.00 0.00 H new ATOM 0 HB2 ALA A 19 24.722 2.172 -4.176 1.00 0.00 H new ATOM 0 HB3 ALA A 19 25.317 3.684 -3.451 1.00 0.00 H new ATOM 320 N ALA A 20 27.712 4.779 -3.992 1.00 0.00 N ATOM 321 CA ALA A 20 28.454 6.071 -4.136 1.00 0.00 C ATOM 322 C ALA A 20 29.861 5.845 -4.695 1.00 0.00 C ATOM 323 O ALA A 20 30.315 6.554 -5.573 1.00 0.00 O ATOM 324 CB ALA A 20 28.586 6.709 -2.757 1.00 0.00 C ATOM 0 H ALA A 20 27.387 4.580 -3.046 1.00 0.00 H new ATOM 0 HA ALA A 20 27.902 6.712 -4.823 1.00 0.00 H new ATOM 0 HB1 ALA A 20 29.125 7.653 -2.843 1.00 0.00 H new ATOM 0 HB2 ALA A 20 27.594 6.894 -2.345 1.00 0.00 H new ATOM 0 HB3 ALA A 20 29.134 6.037 -2.096 1.00 0.00 H new ATOM 330 N LEU A 21 30.564 4.900 -4.146 1.00 0.00 N ATOM 331 CA LEU A 21 31.973 4.634 -4.587 1.00 0.00 C ATOM 332 C LEU A 21 32.021 3.977 -5.980 1.00 0.00 C ATOM 333 O LEU A 21 33.055 3.962 -6.619 1.00 0.00 O ATOM 334 CB LEU A 21 32.646 3.706 -3.561 1.00 0.00 C ATOM 335 CG LEU A 21 33.597 4.507 -2.655 1.00 0.00 C ATOM 336 CD1 LEU A 21 34.705 5.158 -3.499 1.00 0.00 C ATOM 337 CD2 LEU A 21 32.812 5.591 -1.898 1.00 0.00 C ATOM 0 H LEU A 21 30.226 4.289 -3.402 1.00 0.00 H new ATOM 0 HA LEU A 21 32.499 5.587 -4.651 1.00 0.00 H new ATOM 0 HB2 LEU A 21 31.886 3.212 -2.955 1.00 0.00 H new ATOM 0 HB3 LEU A 21 33.200 2.923 -4.078 1.00 0.00 H new ATOM 0 HG LEU A 21 34.053 3.828 -1.934 1.00 0.00 H new ATOM 0 HD11 LEU A 21 35.373 5.723 -2.849 1.00 0.00 H new ATOM 0 HD12 LEU A 21 35.271 4.383 -4.016 1.00 0.00 H new ATOM 0 HD13 LEU A 21 34.257 5.830 -4.231 1.00 0.00 H new ATOM 0 HD21 LEU A 21 33.493 6.154 -1.259 1.00 0.00 H new ATOM 0 HD22 LEU A 21 32.343 6.267 -2.613 1.00 0.00 H new ATOM 0 HD23 LEU A 21 32.043 5.122 -1.285 1.00 0.00 H new ATOM 349 N SER A 22 30.934 3.422 -6.449 1.00 0.00 N ATOM 350 CA SER A 22 30.946 2.752 -7.793 1.00 0.00 C ATOM 351 C SER A 22 31.334 3.744 -8.910 1.00 0.00 C ATOM 352 O SER A 22 32.286 3.507 -9.625 1.00 0.00 O ATOM 353 CB SER A 22 29.560 2.170 -8.083 1.00 0.00 C ATOM 354 OG SER A 22 29.537 0.799 -7.707 1.00 0.00 O ATOM 0 H SER A 22 30.037 3.401 -5.964 1.00 0.00 H new ATOM 0 HA SER A 22 31.690 1.956 -7.773 1.00 0.00 H new ATOM 0 HB2 SER A 22 28.799 2.723 -7.532 1.00 0.00 H new ATOM 0 HB3 SER A 22 29.325 2.272 -9.142 1.00 0.00 H new ATOM 0 HG SER A 22 29.464 0.728 -6.732 1.00 0.00 H new ATOM 360 N PRO A 23 30.585 4.818 -9.045 1.00 0.00 N ATOM 361 CA PRO A 23 30.790 5.894 -10.086 1.00 0.00 C ATOM 362 C PRO A 23 32.048 6.702 -9.798 1.00 0.00 C ATOM 363 O PRO A 23 32.936 6.801 -10.619 1.00 0.00 O ATOM 364 CB PRO A 23 29.567 6.792 -10.010 1.00 0.00 C ATOM 365 CG PRO A 23 28.985 6.601 -8.635 1.00 0.00 C ATOM 366 CD PRO A 23 29.391 5.200 -8.202 1.00 0.00 C ATOM 0 HA PRO A 23 30.912 5.457 -11.077 1.00 0.00 H new ATOM 0 HB2 PRO A 23 29.840 7.834 -10.175 1.00 0.00 H new ATOM 0 HB3 PRO A 23 28.842 6.527 -10.779 1.00 0.00 H new ATOM 0 HG2 PRO A 23 29.367 7.350 -7.942 1.00 0.00 H new ATOM 0 HG3 PRO A 23 27.900 6.706 -8.652 1.00 0.00 H new ATOM 0 HD2 PRO A 23 29.643 5.180 -7.142 1.00 0.00 H new ATOM 0 HD3 PRO A 23 28.572 4.496 -8.349 1.00 0.00 H new ATOM 374 N ALA A 24 32.111 7.295 -8.640 1.00 0.00 N ATOM 375 CA ALA A 24 33.300 8.135 -8.253 1.00 0.00 C ATOM 376 C ALA A 24 34.619 7.416 -8.582 1.00 0.00 C ATOM 377 O ALA A 24 35.628 8.046 -8.839 1.00 0.00 O ATOM 378 CB ALA A 24 33.249 8.415 -6.752 1.00 0.00 C ATOM 0 H ALA A 24 31.383 7.238 -7.928 1.00 0.00 H new ATOM 0 HA ALA A 24 33.261 9.066 -8.819 1.00 0.00 H new ATOM 0 HB1 ALA A 24 34.107 9.023 -6.466 1.00 0.00 H new ATOM 0 HB2 ALA A 24 32.330 8.950 -6.513 1.00 0.00 H new ATOM 0 HB3 ALA A 24 33.273 7.472 -6.205 1.00 0.00 H new ATOM 384 N ILE A 25 34.612 6.107 -8.580 1.00 0.00 N ATOM 385 CA ILE A 25 35.858 5.347 -8.898 1.00 0.00 C ATOM 386 C ILE A 25 36.049 5.311 -10.424 1.00 0.00 C ATOM 387 O ILE A 25 37.142 5.497 -10.924 1.00 0.00 O ATOM 388 CB ILE A 25 35.743 3.919 -8.324 1.00 0.00 C ATOM 389 CG1 ILE A 25 35.806 3.994 -6.797 1.00 0.00 C ATOM 390 CG2 ILE A 25 36.900 3.038 -8.820 1.00 0.00 C ATOM 391 CD1 ILE A 25 35.414 2.640 -6.200 1.00 0.00 C ATOM 0 H ILE A 25 33.796 5.532 -8.372 1.00 0.00 H new ATOM 0 HA ILE A 25 36.724 5.833 -8.448 1.00 0.00 H new ATOM 0 HB ILE A 25 34.800 3.484 -8.653 1.00 0.00 H new ATOM 0 HG12 ILE A 25 36.812 4.266 -6.477 1.00 0.00 H new ATOM 0 HG13 ILE A 25 35.134 4.772 -6.433 1.00 0.00 H new ATOM 0 HG21 ILE A 25 36.799 2.036 -8.403 1.00 0.00 H new ATOM 0 HG22 ILE A 25 36.874 2.983 -9.908 1.00 0.00 H new ATOM 0 HG23 ILE A 25 37.849 3.470 -8.501 1.00 0.00 H new ATOM 0 HD11 ILE A 25 35.459 2.695 -5.112 1.00 0.00 H new ATOM 0 HD12 ILE A 25 34.400 2.386 -6.508 1.00 0.00 H new ATOM 0 HD13 ILE A 25 36.103 1.873 -6.554 1.00 0.00 H new ATOM 403 N THR A 26 34.994 5.069 -11.159 1.00 0.00 N ATOM 404 CA THR A 26 35.103 5.014 -12.649 1.00 0.00 C ATOM 405 C THR A 26 35.617 6.353 -13.190 1.00 0.00 C ATOM 406 O THR A 26 36.276 6.405 -14.211 1.00 0.00 O ATOM 407 CB THR A 26 33.725 4.726 -13.248 1.00 0.00 C ATOM 408 OG1 THR A 26 33.143 3.611 -12.586 1.00 0.00 O ATOM 409 CG2 THR A 26 33.870 4.419 -14.739 1.00 0.00 C ATOM 0 H THR A 26 34.057 4.906 -10.790 1.00 0.00 H new ATOM 0 HA THR A 26 35.801 4.224 -12.925 1.00 0.00 H new ATOM 0 HB THR A 26 33.084 5.598 -13.119 1.00 0.00 H new ATOM 0 HG1 THR A 26 32.260 3.428 -12.969 1.00 0.00 H new ATOM 0 HG21 THR A 26 32.888 4.214 -15.165 1.00 0.00 H new ATOM 0 HG22 THR A 26 34.314 5.276 -15.245 1.00 0.00 H new ATOM 0 HG23 THR A 26 34.512 3.548 -14.870 1.00 0.00 H new ATOM 417 N PHE A 27 35.315 7.435 -12.516 1.00 0.00 N ATOM 418 CA PHE A 27 35.777 8.773 -12.990 1.00 0.00 C ATOM 419 C PHE A 27 37.295 8.878 -12.827 1.00 0.00 C ATOM 420 O PHE A 27 37.943 7.962 -12.357 1.00 0.00 O ATOM 421 CB PHE A 27 35.095 9.870 -12.166 1.00 0.00 C ATOM 422 CG PHE A 27 33.878 10.379 -12.904 1.00 0.00 C ATOM 423 CD1 PHE A 27 32.855 9.494 -13.267 1.00 0.00 C ATOM 424 CD2 PHE A 27 33.773 11.738 -13.224 1.00 0.00 C ATOM 425 CE1 PHE A 27 31.728 9.969 -13.948 1.00 0.00 C ATOM 426 CE2 PHE A 27 32.646 12.212 -13.905 1.00 0.00 C ATOM 427 CZ PHE A 27 31.623 11.328 -14.268 1.00 0.00 C ATOM 0 H PHE A 27 34.767 7.448 -11.656 1.00 0.00 H new ATOM 0 HA PHE A 27 35.518 8.895 -14.042 1.00 0.00 H new ATOM 0 HB2 PHE A 27 34.804 9.478 -11.191 1.00 0.00 H new ATOM 0 HB3 PHE A 27 35.792 10.689 -11.985 1.00 0.00 H new ATOM 0 HD1 PHE A 27 32.936 8.445 -13.022 1.00 0.00 H new ATOM 0 HD2 PHE A 27 34.562 12.421 -12.945 1.00 0.00 H new ATOM 0 HE1 PHE A 27 30.939 9.287 -14.227 1.00 0.00 H new ATOM 0 HE2 PHE A 27 32.565 13.261 -14.151 1.00 0.00 H new ATOM 0 HZ PHE A 27 30.754 11.694 -14.794 1.00 0.00 H new ATOM 437 N GLY A 28 37.862 9.991 -13.217 1.00 0.00 N ATOM 438 CA GLY A 28 39.339 10.170 -13.096 1.00 0.00 C ATOM 439 C GLY A 28 39.749 10.118 -11.623 1.00 0.00 C ATOM 440 O GLY A 28 40.658 9.400 -11.251 1.00 0.00 O ATOM 0 H GLY A 28 37.363 10.786 -13.616 1.00 0.00 H new ATOM 0 HA2 GLY A 28 39.856 9.390 -13.654 1.00 0.00 H new ATOM 0 HA3 GLY A 28 39.636 11.124 -13.532 1.00 0.00 H new ATOM 444 N GLY A 29 39.088 10.877 -10.786 1.00 0.00 N ATOM 445 CA GLY A 29 39.435 10.882 -9.337 1.00 0.00 C ATOM 446 C GLY A 29 39.113 12.253 -8.744 1.00 0.00 C ATOM 447 O GLY A 29 39.965 13.117 -8.658 1.00 0.00 O ATOM 0 H GLY A 29 38.320 11.495 -11.048 1.00 0.00 H new ATOM 0 HA2 GLY A 29 38.875 10.107 -8.815 1.00 0.00 H new ATOM 0 HA3 GLY A 29 40.493 10.655 -9.204 1.00 0.00 H new ATOM 451 N LEU A 30 37.887 12.454 -8.334 1.00 0.00 N ATOM 452 CA LEU A 30 37.503 13.774 -7.741 1.00 0.00 C ATOM 453 C LEU A 30 37.819 13.769 -6.242 1.00 0.00 C ATOM 454 O LEU A 30 37.933 12.723 -5.630 1.00 0.00 O ATOM 455 CB LEU A 30 36.004 14.083 -7.965 1.00 0.00 C ATOM 456 CG LEU A 30 35.120 12.831 -7.805 1.00 0.00 C ATOM 457 CD1 LEU A 30 35.314 12.213 -6.419 1.00 0.00 C ATOM 458 CD2 LEU A 30 33.653 13.233 -7.970 1.00 0.00 C ATOM 0 H LEU A 30 37.136 11.765 -8.383 1.00 0.00 H new ATOM 0 HA LEU A 30 38.079 14.554 -8.239 1.00 0.00 H new ATOM 0 HB2 LEU A 30 35.682 14.846 -7.256 1.00 0.00 H new ATOM 0 HB3 LEU A 30 35.866 14.498 -8.963 1.00 0.00 H new ATOM 0 HG LEU A 30 35.402 12.099 -8.562 1.00 0.00 H new ATOM 0 HD11 LEU A 30 34.682 11.330 -6.323 1.00 0.00 H new ATOM 0 HD12 LEU A 30 36.358 11.928 -6.291 1.00 0.00 H new ATOM 0 HD13 LEU A 30 35.040 12.940 -5.655 1.00 0.00 H new ATOM 0 HD21 LEU A 30 33.020 12.353 -7.858 1.00 0.00 H new ATOM 0 HD22 LEU A 30 33.390 13.968 -7.210 1.00 0.00 H new ATOM 0 HD23 LEU A 30 33.503 13.665 -8.960 1.00 0.00 H new ATOM 470 N LEU A 31 37.966 14.928 -5.651 1.00 0.00 N ATOM 471 CA LEU A 31 38.281 14.995 -4.193 1.00 0.00 C ATOM 472 C LEU A 31 36.984 14.912 -3.385 1.00 0.00 C ATOM 473 O LEU A 31 36.837 14.069 -2.520 1.00 0.00 O ATOM 474 CB LEU A 31 38.993 16.322 -3.886 1.00 0.00 C ATOM 475 CG LEU A 31 40.523 16.162 -3.971 1.00 0.00 C ATOM 476 CD1 LEU A 31 41.020 15.238 -2.855 1.00 0.00 C ATOM 477 CD2 LEU A 31 40.924 15.581 -5.334 1.00 0.00 C ATOM 0 H LEU A 31 37.881 15.831 -6.117 1.00 0.00 H new ATOM 0 HA LEU A 31 38.930 14.162 -3.922 1.00 0.00 H new ATOM 0 HB2 LEU A 31 38.664 17.086 -4.590 1.00 0.00 H new ATOM 0 HB3 LEU A 31 38.715 16.666 -2.890 1.00 0.00 H new ATOM 0 HG LEU A 31 40.979 17.145 -3.854 1.00 0.00 H new ATOM 0 HD11 LEU A 31 42.103 15.132 -2.925 1.00 0.00 H new ATOM 0 HD12 LEU A 31 40.759 15.664 -1.886 1.00 0.00 H new ATOM 0 HD13 LEU A 31 40.553 14.259 -2.958 1.00 0.00 H new ATOM 0 HD21 LEU A 31 42.008 15.474 -5.379 1.00 0.00 H new ATOM 0 HD22 LEU A 31 40.457 14.605 -5.465 1.00 0.00 H new ATOM 0 HD23 LEU A 31 40.592 16.251 -6.127 1.00 0.00 H new ATOM 489 N GLY A 32 36.046 15.782 -3.660 1.00 0.00 N ATOM 490 CA GLY A 32 34.755 15.762 -2.910 1.00 0.00 C ATOM 491 C GLY A 32 33.999 14.471 -3.228 1.00 0.00 C ATOM 492 O GLY A 32 33.645 14.214 -4.363 1.00 0.00 O ATOM 0 H GLY A 32 36.119 16.507 -4.374 1.00 0.00 H new ATOM 0 HA2 GLY A 32 34.944 15.831 -1.839 1.00 0.00 H new ATOM 0 HA3 GLY A 32 34.150 16.627 -3.183 1.00 0.00 H new ATOM 496 N GLU A 33 33.751 13.659 -2.231 1.00 0.00 N ATOM 497 CA GLU A 33 33.016 12.381 -2.466 1.00 0.00 C ATOM 498 C GLU A 33 31.595 12.692 -2.941 1.00 0.00 C ATOM 499 O GLU A 33 31.067 12.031 -3.816 1.00 0.00 O ATOM 500 CB GLU A 33 32.955 11.579 -1.163 1.00 0.00 C ATOM 501 CG GLU A 33 32.400 10.181 -1.450 1.00 0.00 C ATOM 502 CD GLU A 33 32.464 9.336 -0.177 1.00 0.00 C ATOM 503 OE1 GLU A 33 33.551 9.184 0.356 1.00 0.00 O ATOM 504 OE2 GLU A 33 31.426 8.852 0.241 1.00 0.00 O ATOM 0 H GLU A 33 34.027 13.827 -1.263 1.00 0.00 H new ATOM 0 HA GLU A 33 33.535 11.797 -3.227 1.00 0.00 H new ATOM 0 HB2 GLU A 33 33.949 11.504 -0.723 1.00 0.00 H new ATOM 0 HB3 GLU A 33 32.323 12.091 -0.437 1.00 0.00 H new ATOM 0 HG2 GLU A 33 31.370 10.252 -1.801 1.00 0.00 H new ATOM 0 HG3 GLU A 33 32.976 9.706 -2.244 1.00 0.00 H new ATOM 511 N LYS A 34 30.975 13.694 -2.370 1.00 0.00 N ATOM 512 CA LYS A 34 29.589 14.057 -2.782 1.00 0.00 C ATOM 513 C LYS A 34 29.643 14.911 -4.051 1.00 0.00 C ATOM 514 O LYS A 34 28.594 15.142 -4.632 1.00 0.00 O ATOM 515 CB LYS A 34 28.912 14.847 -1.653 1.00 0.00 C ATOM 516 CG LYS A 34 27.901 13.953 -0.930 1.00 0.00 C ATOM 517 CD LYS A 34 27.127 14.782 0.096 1.00 0.00 C ATOM 518 CE LYS A 34 25.761 14.140 0.341 1.00 0.00 C ATOM 519 NZ LYS A 34 24.770 15.196 0.690 1.00 0.00 N ATOM 520 OXT LYS A 34 30.731 15.319 -4.421 1.00 0.00 O ATOM 0 H LYS A 34 31.373 14.277 -1.634 1.00 0.00 H new ATOM 0 HA LYS A 34 29.016 13.151 -2.982 1.00 0.00 H new ATOM 0 HB2 LYS A 34 29.662 15.208 -0.949 1.00 0.00 H new ATOM 0 HB3 LYS A 34 28.410 15.724 -2.061 1.00 0.00 H new ATOM 0 HG2 LYS A 34 27.212 13.510 -1.649 1.00 0.00 H new ATOM 0 HG3 LYS A 34 28.417 13.131 -0.434 1.00 0.00 H new ATOM 0 HD2 LYS A 34 27.687 14.840 1.030 1.00 0.00 H new ATOM 0 HD3 LYS A 34 27.002 15.803 -0.265 1.00 0.00 H new ATOM 0 HE2 LYS A 34 25.436 13.601 -0.549 1.00 0.00 H new ATOM 0 HE3 LYS A 34 25.830 13.410 1.148 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 23.841 14.759 0.857 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 25.079 15.691 1.551 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 24.697 15.876 -0.093 1.00 0.00 H new TER 534 LYS A 34