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 137:sc= -1.86 USER MOD Single : A 11 THR OG1 : rot -89:sc= -0.0577 USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 SER OG : rot 74:sc= 0.0231 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 5.811 -6.467 8.271 1.00 0.00 C HETATM 2 O ACE A 1 6.047 -7.599 8.649 1.00 0.00 O HETATM 3 CH3 ACE A 1 6.002 -5.268 9.204 1.00 0.00 C HETATM 0 H1 ACE A 1 6.734 -4.585 8.773 1.00 0.00 H new HETATM 0 H2 ACE A 1 5.051 -4.750 9.330 1.00 0.00 H new HETATM 0 H3 ACE A 1 6.357 -5.615 10.174 1.00 0.00 H new ATOM 7 N ARG A 2 5.387 -6.225 7.055 1.00 0.00 N ATOM 8 CA ARG A 2 5.178 -7.348 6.093 1.00 0.00 C ATOM 9 C ARG A 2 6.530 -7.948 5.701 1.00 0.00 C ATOM 10 O ARG A 2 6.668 -9.148 5.557 1.00 0.00 O ATOM 11 CB ARG A 2 4.469 -6.829 4.842 1.00 0.00 C ATOM 12 CG ARG A 2 3.793 -8.001 4.124 1.00 0.00 C ATOM 13 CD ARG A 2 3.218 -7.534 2.783 1.00 0.00 C ATOM 14 NE ARG A 2 1.730 -7.496 2.868 1.00 0.00 N ATOM 15 CZ ARG A 2 1.098 -6.363 2.731 1.00 0.00 C ATOM 16 NH1 ARG A 2 0.947 -5.839 1.546 1.00 0.00 N ATOM 17 NH2 ARG A 2 0.614 -5.756 3.780 1.00 0.00 N ATOM 0 H ARG A 2 5.177 -5.297 6.688 1.00 0.00 H new ATOM 0 HA ARG A 2 4.564 -8.115 6.565 1.00 0.00 H new ATOM 0 HB2 ARG A 2 3.728 -6.078 5.115 1.00 0.00 H new ATOM 0 HB3 ARG A 2 5.185 -6.344 4.178 1.00 0.00 H new ATOM 0 HG2 ARG A 2 4.514 -8.802 3.961 1.00 0.00 H new ATOM 0 HG3 ARG A 2 2.998 -8.410 4.747 1.00 0.00 H new ATOM 0 HD2 ARG A 2 3.604 -6.546 2.534 1.00 0.00 H new ATOM 0 HD3 ARG A 2 3.531 -8.209 1.986 1.00 0.00 H new ATOM 0 HE ARG A 2 1.206 -8.356 3.033 1.00 0.00 H new ATOM 0 HH11 ARG A 2 1.323 -6.315 0.726 1.00 0.00 H new ATOM 0 HH12 ARG A 2 0.453 -4.953 1.439 1.00 0.00 H new ATOM 0 HH21 ARG A 2 0.730 -6.167 4.706 1.00 0.00 H new ATOM 0 HH22 ARG A 2 0.120 -4.870 3.674 1.00 0.00 H new ATOM 31 N TYR A 3 7.525 -7.118 5.533 1.00 0.00 N ATOM 32 CA TYR A 3 8.879 -7.620 5.154 1.00 0.00 C ATOM 33 C TYR A 3 9.924 -6.551 5.530 1.00 0.00 C ATOM 34 O TYR A 3 10.467 -5.887 4.669 1.00 0.00 O ATOM 35 CB TYR A 3 8.916 -7.897 3.639 1.00 0.00 C ATOM 36 CG TYR A 3 9.109 -9.377 3.390 1.00 0.00 C ATOM 37 CD1 TYR A 3 10.171 -10.055 3.998 1.00 0.00 C ATOM 38 CD2 TYR A 3 8.228 -10.069 2.550 1.00 0.00 C ATOM 39 CE1 TYR A 3 10.355 -11.423 3.768 1.00 0.00 C ATOM 40 CE2 TYR A 3 8.411 -11.438 2.320 1.00 0.00 C ATOM 41 CZ TYR A 3 9.474 -12.115 2.929 1.00 0.00 C ATOM 42 OH TYR A 3 9.654 -13.464 2.702 1.00 0.00 O ATOM 0 H TYR A 3 7.458 -6.106 5.643 1.00 0.00 H new ATOM 0 HA TYR A 3 9.102 -8.546 5.683 1.00 0.00 H new ATOM 0 HB2 TYR A 3 7.989 -7.560 3.176 1.00 0.00 H new ATOM 0 HB3 TYR A 3 9.726 -7.333 3.177 1.00 0.00 H new ATOM 0 HD1 TYR A 3 10.850 -9.521 4.646 1.00 0.00 H new ATOM 0 HD2 TYR A 3 7.408 -9.547 2.080 1.00 0.00 H new ATOM 0 HE1 TYR A 3 11.176 -11.944 4.237 1.00 0.00 H new ATOM 0 HE2 TYR A 3 7.731 -11.972 1.672 1.00 0.00 H new ATOM 0 HH TYR A 3 8.955 -13.790 2.097 1.00 0.00 H new ATOM 52 N PRO A 4 10.160 -6.399 6.816 1.00 0.00 N ATOM 53 CA PRO A 4 11.112 -5.412 7.424 1.00 0.00 C ATOM 54 C PRO A 4 12.512 -6.004 7.592 1.00 0.00 C ATOM 55 O PRO A 4 13.465 -5.537 7.009 1.00 0.00 O ATOM 56 CB PRO A 4 10.522 -5.087 8.788 1.00 0.00 C ATOM 57 CG PRO A 4 9.647 -6.263 9.181 1.00 0.00 C ATOM 58 CD PRO A 4 9.537 -7.168 7.953 1.00 0.00 C ATOM 0 HA PRO A 4 11.225 -4.533 6.789 1.00 0.00 H new ATOM 0 HB2 PRO A 4 11.312 -4.930 9.523 1.00 0.00 H new ATOM 0 HB3 PRO A 4 9.938 -4.168 8.747 1.00 0.00 H new ATOM 0 HG2 PRO A 4 10.082 -6.804 10.021 1.00 0.00 H new ATOM 0 HG3 PRO A 4 8.662 -5.922 9.498 1.00 0.00 H new ATOM 0 HD2 PRO A 4 10.056 -8.113 8.116 1.00 0.00 H new ATOM 0 HD3 PRO A 4 8.496 -7.409 7.737 1.00 0.00 H new ATOM 66 N TYR A 5 12.635 -7.002 8.417 1.00 0.00 N ATOM 67 CA TYR A 5 13.968 -7.627 8.682 1.00 0.00 C ATOM 68 C TYR A 5 14.618 -8.139 7.385 1.00 0.00 C ATOM 69 O TYR A 5 15.822 -8.307 7.321 1.00 0.00 O ATOM 70 CB TYR A 5 13.773 -8.798 9.646 1.00 0.00 C ATOM 71 CG TYR A 5 15.005 -8.967 10.505 1.00 0.00 C ATOM 72 CD1 TYR A 5 15.121 -8.263 11.710 1.00 0.00 C ATOM 73 CD2 TYR A 5 16.029 -9.833 10.100 1.00 0.00 C ATOM 74 CE1 TYR A 5 16.261 -8.424 12.509 1.00 0.00 C ATOM 75 CE2 TYR A 5 17.167 -9.995 10.899 1.00 0.00 C ATOM 76 CZ TYR A 5 17.284 -9.290 12.104 1.00 0.00 C ATOM 77 OH TYR A 5 18.406 -9.450 12.893 1.00 0.00 O ATOM 0 H TYR A 5 11.859 -7.421 8.929 1.00 0.00 H new ATOM 0 HA TYR A 5 14.627 -6.874 9.113 1.00 0.00 H new ATOM 0 HB2 TYR A 5 12.901 -8.621 10.276 1.00 0.00 H new ATOM 0 HB3 TYR A 5 13.581 -9.713 9.086 1.00 0.00 H new ATOM 0 HD1 TYR A 5 14.332 -7.596 12.024 1.00 0.00 H new ATOM 0 HD2 TYR A 5 15.940 -10.376 9.171 1.00 0.00 H new ATOM 0 HE1 TYR A 5 16.351 -7.880 13.438 1.00 0.00 H new ATOM 0 HE2 TYR A 5 17.955 -10.664 10.586 1.00 0.00 H new ATOM 0 HH TYR A 5 19.017 -10.087 12.467 1.00 0.00 H new ATOM 87 N TYR A 6 13.843 -8.404 6.362 1.00 0.00 N ATOM 88 CA TYR A 6 14.432 -8.923 5.084 1.00 0.00 C ATOM 89 C TYR A 6 14.974 -7.767 4.239 1.00 0.00 C ATOM 90 O TYR A 6 16.154 -7.693 3.955 1.00 0.00 O ATOM 91 CB TYR A 6 13.352 -9.663 4.296 1.00 0.00 C ATOM 92 CG TYR A 6 13.984 -10.713 3.412 1.00 0.00 C ATOM 93 CD1 TYR A 6 14.661 -11.799 3.983 1.00 0.00 C ATOM 94 CD2 TYR A 6 13.883 -10.606 2.020 1.00 0.00 C ATOM 95 CE1 TYR A 6 15.235 -12.776 3.160 1.00 0.00 C ATOM 96 CE2 TYR A 6 14.460 -11.582 1.198 1.00 0.00 C ATOM 97 CZ TYR A 6 15.135 -12.667 1.768 1.00 0.00 C ATOM 98 OH TYR A 6 15.699 -13.630 0.957 1.00 0.00 O ATOM 0 H TYR A 6 12.830 -8.284 6.354 1.00 0.00 H new ATOM 0 HA TYR A 6 15.252 -9.601 5.321 1.00 0.00 H new ATOM 0 HB2 TYR A 6 12.646 -10.131 4.982 1.00 0.00 H new ATOM 0 HB3 TYR A 6 12.786 -8.957 3.688 1.00 0.00 H new ATOM 0 HD1 TYR A 6 14.740 -11.882 5.057 1.00 0.00 H new ATOM 0 HD2 TYR A 6 13.360 -9.770 1.580 1.00 0.00 H new ATOM 0 HE1 TYR A 6 15.755 -13.614 3.600 1.00 0.00 H new ATOM 0 HE2 TYR A 6 14.384 -11.497 0.124 1.00 0.00 H new ATOM 0 HH TYR A 6 15.537 -13.403 0.018 1.00 0.00 H new ATOM 108 N LEU A 7 14.115 -6.869 3.838 1.00 0.00 N ATOM 109 CA LEU A 7 14.558 -5.706 3.006 1.00 0.00 C ATOM 110 C LEU A 7 15.427 -4.745 3.837 1.00 0.00 C ATOM 111 O LEU A 7 16.011 -3.820 3.305 1.00 0.00 O ATOM 112 CB LEU A 7 13.322 -4.953 2.498 1.00 0.00 C ATOM 113 CG LEU A 7 13.001 -5.383 1.064 1.00 0.00 C ATOM 114 CD1 LEU A 7 11.543 -5.042 0.745 1.00 0.00 C ATOM 115 CD2 LEU A 7 13.923 -4.640 0.093 1.00 0.00 C ATOM 0 H LEU A 7 13.118 -6.889 4.051 1.00 0.00 H new ATOM 0 HA LEU A 7 15.147 -6.077 2.167 1.00 0.00 H new ATOM 0 HB2 LEU A 7 12.470 -5.156 3.147 1.00 0.00 H new ATOM 0 HB3 LEU A 7 13.501 -3.878 2.533 1.00 0.00 H new ATOM 0 HG LEU A 7 13.154 -6.457 0.962 1.00 0.00 H new ATOM 0 HD11 LEU A 7 11.313 -5.347 -0.276 1.00 0.00 H new ATOM 0 HD12 LEU A 7 10.886 -5.568 1.438 1.00 0.00 H new ATOM 0 HD13 LEU A 7 11.390 -3.967 0.845 1.00 0.00 H new ATOM 0 HD21 LEU A 7 13.696 -4.944 -0.929 1.00 0.00 H new ATOM 0 HD22 LEU A 7 13.768 -3.566 0.194 1.00 0.00 H new ATOM 0 HD23 LEU A 7 14.961 -4.880 0.321 1.00 0.00 H new ATOM 127 N SER A 8 15.513 -4.949 5.130 1.00 0.00 N ATOM 128 CA SER A 8 16.335 -4.048 5.985 1.00 0.00 C ATOM 129 C SER A 8 17.802 -4.468 5.906 1.00 0.00 C ATOM 130 O SER A 8 18.696 -3.656 6.042 1.00 0.00 O ATOM 131 CB SER A 8 15.858 -4.146 7.434 1.00 0.00 C ATOM 132 OG SER A 8 15.860 -5.509 7.837 1.00 0.00 O ATOM 0 H SER A 8 15.045 -5.706 5.628 1.00 0.00 H new ATOM 0 HA SER A 8 16.230 -3.021 5.635 1.00 0.00 H new ATOM 0 HB2 SER A 8 16.509 -3.562 8.084 1.00 0.00 H new ATOM 0 HB3 SER A 8 14.856 -3.728 7.528 1.00 0.00 H new ATOM 0 HG SER A 8 16.232 -5.582 8.741 1.00 0.00 H new ATOM 138 N ASP A 9 18.051 -5.735 5.695 1.00 0.00 N ATOM 139 CA ASP A 9 19.457 -6.224 5.613 1.00 0.00 C ATOM 140 C ASP A 9 20.124 -5.671 4.353 1.00 0.00 C ATOM 141 O ASP A 9 21.280 -5.300 4.371 1.00 0.00 O ATOM 142 CB ASP A 9 19.457 -7.753 5.563 1.00 0.00 C ATOM 143 CG ASP A 9 18.805 -8.303 6.832 1.00 0.00 C ATOM 144 OD1 ASP A 9 19.059 -7.753 7.891 1.00 0.00 O ATOM 145 OD2 ASP A 9 18.061 -9.264 6.723 1.00 0.00 O ATOM 0 H ASP A 9 17.337 -6.454 5.576 1.00 0.00 H new ATOM 0 HA ASP A 9 20.011 -5.886 6.489 1.00 0.00 H new ATOM 0 HB2 ASP A 9 18.915 -8.099 4.683 1.00 0.00 H new ATOM 0 HB3 ASP A 9 20.478 -8.125 5.475 1.00 0.00 H new ATOM 150 N ILE A 10 19.404 -5.614 3.262 1.00 0.00 N ATOM 151 CA ILE A 10 19.995 -5.086 1.996 1.00 0.00 C ATOM 152 C ILE A 10 20.187 -3.572 2.112 1.00 0.00 C ATOM 153 O ILE A 10 21.201 -3.038 1.708 1.00 0.00 O ATOM 154 CB ILE A 10 19.057 -5.402 0.826 1.00 0.00 C ATOM 155 CG1 ILE A 10 18.803 -6.911 0.771 1.00 0.00 C ATOM 156 CG2 ILE A 10 19.700 -4.953 -0.489 1.00 0.00 C ATOM 157 CD1 ILE A 10 17.457 -7.178 0.095 1.00 0.00 C ATOM 0 H ILE A 10 18.431 -5.911 3.193 1.00 0.00 H new ATOM 0 HA ILE A 10 20.962 -5.557 1.821 1.00 0.00 H new ATOM 0 HB ILE A 10 18.115 -4.873 0.969 1.00 0.00 H new ATOM 0 HG12 ILE A 10 19.603 -7.405 0.220 1.00 0.00 H new ATOM 0 HG13 ILE A 10 18.805 -7.328 1.778 1.00 0.00 H new ATOM 0 HG21 ILE A 10 19.029 -5.180 -1.318 1.00 0.00 H new ATOM 0 HG22 ILE A 10 19.885 -3.879 -0.455 1.00 0.00 H new ATOM 0 HG23 ILE A 10 20.644 -5.480 -0.631 1.00 0.00 H new ATOM 0 HD11 ILE A 10 17.276 -8.252 0.056 1.00 0.00 H new ATOM 0 HD12 ILE A 10 16.662 -6.697 0.665 1.00 0.00 H new ATOM 0 HD13 ILE A 10 17.472 -6.776 -0.918 1.00 0.00 H new ATOM 169 N THR A 11 19.221 -2.878 2.662 1.00 0.00 N ATOM 170 CA THR A 11 19.342 -1.396 2.807 1.00 0.00 C ATOM 171 C THR A 11 20.542 -1.064 3.693 1.00 0.00 C ATOM 172 O THR A 11 21.206 -0.063 3.501 1.00 0.00 O ATOM 173 CB THR A 11 18.068 -0.841 3.447 1.00 0.00 C ATOM 174 OG1 THR A 11 17.533 -1.804 4.341 1.00 0.00 O ATOM 175 CG2 THR A 11 17.042 -0.526 2.357 1.00 0.00 C ATOM 0 H THR A 11 18.352 -3.276 3.017 1.00 0.00 H new ATOM 0 HA THR A 11 19.482 -0.947 1.824 1.00 0.00 H new ATOM 0 HB THR A 11 18.303 0.072 3.994 1.00 0.00 H new ATOM 0 HG1 THR A 11 16.922 -2.397 3.856 1.00 0.00 H new ATOM 0 HG21 THR A 11 16.135 -0.131 2.814 1.00 0.00 H new ATOM 0 HG22 THR A 11 17.455 0.214 1.672 1.00 0.00 H new ATOM 0 HG23 THR A 11 16.804 -1.437 1.807 1.00 0.00 H new ATOM 183 N ASP A 12 20.830 -1.903 4.655 1.00 0.00 N ATOM 184 CA ASP A 12 21.993 -1.648 5.550 1.00 0.00 C ATOM 185 C ASP A 12 23.280 -1.827 4.746 1.00 0.00 C ATOM 186 O ASP A 12 24.258 -1.135 4.958 1.00 0.00 O ATOM 187 CB ASP A 12 21.967 -2.637 6.717 1.00 0.00 C ATOM 188 CG ASP A 12 21.242 -2.004 7.907 1.00 0.00 C ATOM 189 OD1 ASP A 12 20.058 -1.740 7.783 1.00 0.00 O ATOM 190 OD2 ASP A 12 21.885 -1.793 8.923 1.00 0.00 O ATOM 0 H ASP A 12 20.307 -2.755 4.858 1.00 0.00 H new ATOM 0 HA ASP A 12 21.945 -0.633 5.945 1.00 0.00 H new ATOM 0 HB2 ASP A 12 21.463 -3.556 6.418 1.00 0.00 H new ATOM 0 HB3 ASP A 12 22.984 -2.909 7.000 1.00 0.00 H new ATOM 195 N VAL A 13 23.277 -2.745 3.814 1.00 0.00 N ATOM 196 CA VAL A 13 24.489 -2.972 2.977 1.00 0.00 C ATOM 197 C VAL A 13 24.702 -1.763 2.061 1.00 0.00 C ATOM 198 O VAL A 13 25.814 -1.457 1.679 1.00 0.00 O ATOM 199 CB VAL A 13 24.306 -4.234 2.136 1.00 0.00 C ATOM 200 CG1 VAL A 13 25.584 -4.517 1.342 1.00 0.00 C ATOM 201 CG2 VAL A 13 24.014 -5.418 3.058 1.00 0.00 C ATOM 0 H VAL A 13 22.484 -3.348 3.597 1.00 0.00 H new ATOM 0 HA VAL A 13 25.360 -3.099 3.621 1.00 0.00 H new ATOM 0 HB VAL A 13 23.475 -4.089 1.445 1.00 0.00 H new ATOM 0 HG11 VAL A 13 25.449 -5.418 0.744 1.00 0.00 H new ATOM 0 HG12 VAL A 13 25.798 -3.674 0.685 1.00 0.00 H new ATOM 0 HG13 VAL A 13 26.416 -4.661 2.031 1.00 0.00 H new ATOM 0 HG21 VAL A 13 23.883 -6.320 2.461 1.00 0.00 H new ATOM 0 HG22 VAL A 13 24.847 -5.557 3.747 1.00 0.00 H new ATOM 0 HG23 VAL A 13 23.104 -5.222 3.624 1.00 0.00 H new ATOM 211 N ILE A 14 23.643 -1.071 1.712 1.00 0.00 N ATOM 212 CA ILE A 14 23.781 0.124 0.829 1.00 0.00 C ATOM 213 C ILE A 14 24.362 1.283 1.646 1.00 0.00 C ATOM 214 O ILE A 14 25.104 2.103 1.137 1.00 0.00 O ATOM 215 CB ILE A 14 22.403 0.515 0.275 1.00 0.00 C ATOM 216 CG1 ILE A 14 21.799 -0.667 -0.503 1.00 0.00 C ATOM 217 CG2 ILE A 14 22.539 1.729 -0.655 1.00 0.00 C ATOM 218 CD1 ILE A 14 22.696 -1.048 -1.688 1.00 0.00 C ATOM 0 H ILE A 14 22.689 -1.285 2.003 1.00 0.00 H new ATOM 0 HA ILE A 14 24.446 -0.105 -0.004 1.00 0.00 H new ATOM 0 HB ILE A 14 21.746 0.772 1.106 1.00 0.00 H new ATOM 0 HG12 ILE A 14 21.680 -1.524 0.161 1.00 0.00 H new ATOM 0 HG13 ILE A 14 20.805 -0.403 -0.863 1.00 0.00 H new ATOM 0 HG21 ILE A 14 21.558 2.001 -1.044 1.00 0.00 H new ATOM 0 HG22 ILE A 14 22.954 2.569 -0.098 1.00 0.00 H new ATOM 0 HG23 ILE A 14 23.202 1.480 -1.484 1.00 0.00 H new ATOM 0 HD11 ILE A 14 22.252 -1.886 -2.226 1.00 0.00 H new ATOM 0 HD12 ILE A 14 22.792 -0.195 -2.360 1.00 0.00 H new ATOM 0 HD13 ILE A 14 23.682 -1.334 -1.321 1.00 0.00 H new ATOM 230 N PHE A 15 24.027 1.353 2.910 1.00 0.00 N ATOM 231 CA PHE A 15 24.554 2.453 3.772 1.00 0.00 C ATOM 232 C PHE A 15 26.057 2.256 3.990 1.00 0.00 C ATOM 233 O PHE A 15 26.825 3.200 3.974 1.00 0.00 O ATOM 234 CB PHE A 15 23.836 2.434 5.126 1.00 0.00 C ATOM 235 CG PHE A 15 24.081 3.740 5.845 1.00 0.00 C ATOM 236 CD1 PHE A 15 23.434 4.906 5.418 1.00 0.00 C ATOM 237 CD2 PHE A 15 24.956 3.785 6.936 1.00 0.00 C ATOM 238 CE1 PHE A 15 23.663 6.117 6.083 1.00 0.00 C ATOM 239 CE2 PHE A 15 25.185 4.996 7.601 1.00 0.00 C ATOM 240 CZ PHE A 15 24.538 6.162 7.174 1.00 0.00 C ATOM 0 H PHE A 15 23.409 0.693 3.383 1.00 0.00 H new ATOM 0 HA PHE A 15 24.379 3.411 3.282 1.00 0.00 H new ATOM 0 HB2 PHE A 15 22.767 2.282 4.980 1.00 0.00 H new ATOM 0 HB3 PHE A 15 24.197 1.601 5.729 1.00 0.00 H new ATOM 0 HD1 PHE A 15 22.759 4.871 4.576 1.00 0.00 H new ATOM 0 HD2 PHE A 15 25.455 2.886 7.265 1.00 0.00 H new ATOM 0 HE1 PHE A 15 23.164 7.016 5.754 1.00 0.00 H new ATOM 0 HE2 PHE A 15 25.860 5.031 8.443 1.00 0.00 H new ATOM 0 HZ PHE A 15 24.714 7.096 7.687 1.00 0.00 H new ATOM 250 N ILE A 16 26.479 1.033 4.195 1.00 0.00 N ATOM 251 CA ILE A 16 27.931 0.755 4.418 1.00 0.00 C ATOM 252 C ILE A 16 28.691 0.917 3.100 1.00 0.00 C ATOM 253 O ILE A 16 29.840 1.315 3.083 1.00 0.00 O ATOM 254 CB ILE A 16 28.097 -0.680 4.931 1.00 0.00 C ATOM 255 CG1 ILE A 16 27.266 -0.870 6.202 1.00 0.00 C ATOM 256 CG2 ILE A 16 29.571 -0.955 5.244 1.00 0.00 C ATOM 257 CD1 ILE A 16 26.875 -2.342 6.339 1.00 0.00 C ATOM 0 H ILE A 16 25.876 0.211 4.218 1.00 0.00 H new ATOM 0 HA ILE A 16 28.329 1.455 5.153 1.00 0.00 H new ATOM 0 HB ILE A 16 27.756 -1.374 4.163 1.00 0.00 H new ATOM 0 HG12 ILE A 16 27.837 -0.552 7.074 1.00 0.00 H new ATOM 0 HG13 ILE A 16 26.372 -0.247 6.162 1.00 0.00 H new ATOM 0 HG21 ILE A 16 29.681 -1.976 5.608 1.00 0.00 H new ATOM 0 HG22 ILE A 16 30.165 -0.826 4.339 1.00 0.00 H new ATOM 0 HG23 ILE A 16 29.917 -0.258 6.008 1.00 0.00 H new ATOM 0 HD11 ILE A 16 26.283 -2.479 7.244 1.00 0.00 H new ATOM 0 HD12 ILE A 16 26.288 -2.645 5.472 1.00 0.00 H new ATOM 0 HD13 ILE A 16 27.775 -2.954 6.399 1.00 0.00 H new ATOM 269 N TYR A 17 28.057 0.610 1.997 1.00 0.00 N ATOM 270 CA TYR A 17 28.735 0.740 0.672 1.00 0.00 C ATOM 271 C TYR A 17 29.102 2.206 0.435 1.00 0.00 C ATOM 272 O TYR A 17 30.205 2.524 0.030 1.00 0.00 O ATOM 273 CB TYR A 17 27.789 0.266 -0.434 1.00 0.00 C ATOM 274 CG TYR A 17 28.598 -0.269 -1.593 1.00 0.00 C ATOM 275 CD1 TYR A 17 29.228 0.617 -2.475 1.00 0.00 C ATOM 276 CD2 TYR A 17 28.716 -1.651 -1.787 1.00 0.00 C ATOM 277 CE1 TYR A 17 29.977 0.122 -3.550 1.00 0.00 C ATOM 278 CE2 TYR A 17 29.465 -2.146 -2.862 1.00 0.00 C ATOM 279 CZ TYR A 17 30.095 -1.260 -3.744 1.00 0.00 C ATOM 280 OH TYR A 17 30.831 -1.750 -4.804 1.00 0.00 O ATOM 0 H TYR A 17 27.095 0.274 1.957 1.00 0.00 H new ATOM 0 HA TYR A 17 29.638 0.130 0.662 1.00 0.00 H new ATOM 0 HB2 TYR A 17 27.125 -0.509 -0.052 1.00 0.00 H new ATOM 0 HB3 TYR A 17 27.159 1.091 -0.766 1.00 0.00 H new ATOM 0 HD1 TYR A 17 29.136 1.683 -2.326 1.00 0.00 H new ATOM 0 HD2 TYR A 17 28.229 -2.335 -1.108 1.00 0.00 H new ATOM 0 HE1 TYR A 17 30.464 0.806 -4.229 1.00 0.00 H new ATOM 0 HE2 TYR A 17 29.557 -3.212 -3.011 1.00 0.00 H new ATOM 0 HH TYR A 17 30.811 -2.730 -4.791 1.00 0.00 H new ATOM 290 N PHE A 18 28.182 3.096 0.692 1.00 0.00 N ATOM 291 CA PHE A 18 28.454 4.550 0.496 1.00 0.00 C ATOM 292 C PHE A 18 29.526 5.003 1.481 1.00 0.00 C ATOM 293 O PHE A 18 30.353 5.838 1.178 1.00 0.00 O ATOM 294 CB PHE A 18 27.176 5.333 0.766 1.00 0.00 C ATOM 295 CG PHE A 18 27.241 6.667 0.061 1.00 0.00 C ATOM 296 CD1 PHE A 18 27.934 7.730 0.650 1.00 0.00 C ATOM 297 CD2 PHE A 18 26.608 6.842 -1.176 1.00 0.00 C ATOM 298 CE1 PHE A 18 27.996 8.970 0.004 1.00 0.00 C ATOM 299 CE2 PHE A 18 26.670 8.084 -1.823 1.00 0.00 C ATOM 300 CZ PHE A 18 27.364 9.147 -1.233 1.00 0.00 C ATOM 0 H PHE A 18 27.246 2.877 1.032 1.00 0.00 H new ATOM 0 HA PHE A 18 28.794 4.724 -0.525 1.00 0.00 H new ATOM 0 HB2 PHE A 18 26.311 4.768 0.418 1.00 0.00 H new ATOM 0 HB3 PHE A 18 27.049 5.483 1.838 1.00 0.00 H new ATOM 0 HD1 PHE A 18 28.422 7.594 1.604 1.00 0.00 H new ATOM 0 HD2 PHE A 18 26.073 6.021 -1.631 1.00 0.00 H new ATOM 0 HE1 PHE A 18 28.531 9.790 0.459 1.00 0.00 H new ATOM 0 HE2 PHE A 18 26.182 8.221 -2.777 1.00 0.00 H new ATOM 0 HZ PHE A 18 27.412 10.104 -1.732 1.00 0.00 H new ATOM 310 N ALA A 19 29.500 4.457 2.665 1.00 0.00 N ATOM 311 CA ALA A 19 30.500 4.834 3.713 1.00 0.00 C ATOM 312 C ALA A 19 31.925 4.632 3.185 1.00 0.00 C ATOM 313 O ALA A 19 32.742 5.532 3.200 1.00 0.00 O ATOM 314 CB ALA A 19 30.289 3.938 4.935 1.00 0.00 C ATOM 0 H ALA A 19 28.820 3.755 2.958 1.00 0.00 H new ATOM 0 HA ALA A 19 30.366 5.883 3.979 1.00 0.00 H new ATOM 0 HB1 ALA A 19 31.011 4.201 5.708 1.00 0.00 H new ATOM 0 HB2 ALA A 19 29.279 4.079 5.319 1.00 0.00 H new ATOM 0 HB3 ALA A 19 30.427 2.895 4.650 1.00 0.00 H new ATOM 320 N ALA A 20 32.217 3.447 2.728 1.00 0.00 N ATOM 321 CA ALA A 20 33.580 3.140 2.196 1.00 0.00 C ATOM 322 C ALA A 20 33.900 4.040 1.005 1.00 0.00 C ATOM 323 O ALA A 20 34.985 4.576 0.885 1.00 0.00 O ATOM 324 CB ALA A 20 33.602 1.693 1.721 1.00 0.00 C ATOM 0 H ALA A 20 31.562 2.665 2.699 1.00 0.00 H new ATOM 0 HA ALA A 20 34.315 3.306 2.983 1.00 0.00 H new ATOM 0 HB1 ALA A 20 34.591 1.454 1.330 1.00 0.00 H new ATOM 0 HB2 ALA A 20 33.373 1.032 2.557 1.00 0.00 H new ATOM 0 HB3 ALA A 20 32.858 1.556 0.936 1.00 0.00 H new ATOM 330 N LEU A 21 32.967 4.168 0.112 1.00 0.00 N ATOM 331 CA LEU A 21 33.183 5.000 -1.113 1.00 0.00 C ATOM 332 C LEU A 21 33.186 6.505 -0.778 1.00 0.00 C ATOM 333 O LEU A 21 33.520 7.322 -1.614 1.00 0.00 O ATOM 334 CB LEU A 21 32.052 4.703 -2.112 1.00 0.00 C ATOM 335 CG LEU A 21 32.617 4.130 -3.422 1.00 0.00 C ATOM 336 CD1 LEU A 21 33.557 5.146 -4.079 1.00 0.00 C ATOM 337 CD2 LEU A 21 33.383 2.831 -3.137 1.00 0.00 C ATOM 0 H LEU A 21 32.049 3.728 0.173 1.00 0.00 H new ATOM 0 HA LEU A 21 34.154 4.749 -1.540 1.00 0.00 H new ATOM 0 HB2 LEU A 21 31.350 3.994 -1.673 1.00 0.00 H new ATOM 0 HB3 LEU A 21 31.495 5.617 -2.320 1.00 0.00 H new ATOM 0 HG LEU A 21 31.789 3.919 -4.099 1.00 0.00 H new ATOM 0 HD11 LEU A 21 33.952 4.730 -5.006 1.00 0.00 H new ATOM 0 HD12 LEU A 21 33.008 6.062 -4.297 1.00 0.00 H new ATOM 0 HD13 LEU A 21 34.381 5.370 -3.402 1.00 0.00 H new ATOM 0 HD21 LEU A 21 33.780 2.431 -4.070 1.00 0.00 H new ATOM 0 HD22 LEU A 21 34.205 3.036 -2.451 1.00 0.00 H new ATOM 0 HD23 LEU A 21 32.709 2.102 -2.688 1.00 0.00 H new ATOM 349 N SER A 22 32.805 6.882 0.417 1.00 0.00 N ATOM 350 CA SER A 22 32.775 8.337 0.775 1.00 0.00 C ATOM 351 C SER A 22 34.200 8.923 0.767 1.00 0.00 C ATOM 352 O SER A 22 34.472 9.847 0.026 1.00 0.00 O ATOM 353 CB SER A 22 32.148 8.507 2.162 1.00 0.00 C ATOM 354 OG SER A 22 30.927 9.225 2.034 1.00 0.00 O ATOM 0 H SER A 22 32.513 6.247 1.160 1.00 0.00 H new ATOM 0 HA SER A 22 32.178 8.872 0.037 1.00 0.00 H new ATOM 0 HB2 SER A 22 31.966 7.532 2.615 1.00 0.00 H new ATOM 0 HB3 SER A 22 32.832 9.042 2.821 1.00 0.00 H new ATOM 0 HG SER A 22 30.241 8.638 1.652 1.00 0.00 H new ATOM 360 N PRO A 23 35.072 8.379 1.590 1.00 0.00 N ATOM 361 CA PRO A 23 36.512 8.810 1.736 1.00 0.00 C ATOM 362 C PRO A 23 37.318 8.418 0.505 1.00 0.00 C ATOM 363 O PRO A 23 37.935 9.243 -0.136 1.00 0.00 O ATOM 364 CB PRO A 23 37.049 8.085 2.957 1.00 0.00 C ATOM 365 CG PRO A 23 36.177 6.873 3.151 1.00 0.00 C ATOM 366 CD PRO A 23 34.826 7.225 2.539 1.00 0.00 C ATOM 0 HA PRO A 23 36.587 9.892 1.843 1.00 0.00 H new ATOM 0 HB2 PRO A 23 38.089 7.795 2.810 1.00 0.00 H new ATOM 0 HB3 PRO A 23 37.019 8.729 3.836 1.00 0.00 H new ATOM 0 HG2 PRO A 23 36.610 5.999 2.664 1.00 0.00 H new ATOM 0 HG3 PRO A 23 36.075 6.631 4.209 1.00 0.00 H new ATOM 0 HD2 PRO A 23 34.405 6.370 2.010 1.00 0.00 H new ATOM 0 HD3 PRO A 23 34.111 7.504 3.312 1.00 0.00 H new ATOM 374 N ALA A 24 37.321 7.154 0.189 1.00 0.00 N ATOM 375 CA ALA A 24 38.093 6.644 -0.997 1.00 0.00 C ATOM 376 C ALA A 24 37.865 7.530 -2.233 1.00 0.00 C ATOM 377 O ALA A 24 38.716 7.632 -3.097 1.00 0.00 O ATOM 378 CB ALA A 24 37.640 5.219 -1.319 1.00 0.00 C ATOM 0 H ALA A 24 36.815 6.435 0.706 1.00 0.00 H new ATOM 0 HA ALA A 24 39.154 6.662 -0.747 1.00 0.00 H new ATOM 0 HB1 ALA A 24 38.197 4.845 -2.178 1.00 0.00 H new ATOM 0 HB2 ALA A 24 37.825 4.575 -0.459 1.00 0.00 H new ATOM 0 HB3 ALA A 24 36.575 5.219 -1.550 1.00 0.00 H new ATOM 384 N ILE A 25 36.727 8.173 -2.317 1.00 0.00 N ATOM 385 CA ILE A 25 36.440 9.060 -3.486 1.00 0.00 C ATOM 386 C ILE A 25 37.487 10.190 -3.520 1.00 0.00 C ATOM 387 O ILE A 25 38.149 10.403 -4.519 1.00 0.00 O ATOM 388 CB ILE A 25 34.987 9.608 -3.351 1.00 0.00 C ATOM 389 CG1 ILE A 25 34.027 8.685 -4.122 1.00 0.00 C ATOM 390 CG2 ILE A 25 34.841 11.045 -3.895 1.00 0.00 C ATOM 391 CD1 ILE A 25 34.380 8.673 -5.618 1.00 0.00 C ATOM 0 H ILE A 25 35.981 8.121 -1.623 1.00 0.00 H new ATOM 0 HA ILE A 25 36.507 8.514 -4.427 1.00 0.00 H new ATOM 0 HB ILE A 25 34.745 9.631 -2.288 1.00 0.00 H new ATOM 0 HG12 ILE A 25 34.084 7.673 -3.720 1.00 0.00 H new ATOM 0 HG13 ILE A 25 33.000 9.024 -3.987 1.00 0.00 H new ATOM 0 HG21 ILE A 25 33.809 11.376 -3.776 1.00 0.00 H new ATOM 0 HG22 ILE A 25 35.502 11.712 -3.342 1.00 0.00 H new ATOM 0 HG23 ILE A 25 35.108 11.063 -4.952 1.00 0.00 H new ATOM 0 HD11 ILE A 25 33.692 8.015 -6.149 1.00 0.00 H new ATOM 0 HD12 ILE A 25 34.299 9.683 -6.019 1.00 0.00 H new ATOM 0 HD13 ILE A 25 35.400 8.312 -5.748 1.00 0.00 H new ATOM 403 N THR A 26 37.629 10.910 -2.439 1.00 0.00 N ATOM 404 CA THR A 26 38.617 12.027 -2.400 1.00 0.00 C ATOM 405 C THR A 26 40.011 11.479 -2.080 1.00 0.00 C ATOM 406 O THR A 26 40.919 11.563 -2.886 1.00 0.00 O ATOM 407 CB THR A 26 38.200 13.026 -1.318 1.00 0.00 C ATOM 408 OG1 THR A 26 36.812 13.301 -1.442 1.00 0.00 O ATOM 409 CG2 THR A 26 38.995 14.323 -1.477 1.00 0.00 C ATOM 0 H THR A 26 37.101 10.772 -1.578 1.00 0.00 H new ATOM 0 HA THR A 26 38.644 12.522 -3.371 1.00 0.00 H new ATOM 0 HB THR A 26 38.402 12.600 -0.335 1.00 0.00 H new ATOM 0 HG1 THR A 26 36.542 13.939 -0.749 1.00 0.00 H new ATOM 0 HG21 THR A 26 38.695 15.031 -0.705 1.00 0.00 H new ATOM 0 HG22 THR A 26 40.060 14.111 -1.381 1.00 0.00 H new ATOM 0 HG23 THR A 26 38.798 14.753 -2.459 1.00 0.00 H new ATOM 417 N PHE A 27 40.187 10.927 -0.906 1.00 0.00 N ATOM 418 CA PHE A 27 41.523 10.380 -0.518 1.00 0.00 C ATOM 419 C PHE A 27 41.933 9.266 -1.499 1.00 0.00 C ATOM 420 O PHE A 27 42.601 9.521 -2.483 1.00 0.00 O ATOM 421 CB PHE A 27 41.456 9.834 0.915 1.00 0.00 C ATOM 422 CG PHE A 27 41.586 10.972 1.902 1.00 0.00 C ATOM 423 CD1 PHE A 27 40.560 11.918 2.023 1.00 0.00 C ATOM 424 CD2 PHE A 27 42.733 11.079 2.699 1.00 0.00 C ATOM 425 CE1 PHE A 27 40.681 12.970 2.938 1.00 0.00 C ATOM 426 CE2 PHE A 27 42.852 12.132 3.615 1.00 0.00 C ATOM 427 CZ PHE A 27 41.826 13.076 3.735 1.00 0.00 C ATOM 0 H PHE A 27 39.460 10.831 -0.197 1.00 0.00 H new ATOM 0 HA PHE A 27 42.269 11.173 -0.559 1.00 0.00 H new ATOM 0 HB2 PHE A 27 40.513 9.311 1.071 1.00 0.00 H new ATOM 0 HB3 PHE A 27 42.253 9.108 1.075 1.00 0.00 H new ATOM 0 HD1 PHE A 27 39.675 11.835 1.410 1.00 0.00 H new ATOM 0 HD2 PHE A 27 43.525 10.350 2.607 1.00 0.00 H new ATOM 0 HE1 PHE A 27 39.890 13.700 3.029 1.00 0.00 H new ATOM 0 HE2 PHE A 27 43.736 12.215 4.229 1.00 0.00 H new ATOM 0 HZ PHE A 27 41.918 13.886 4.443 1.00 0.00 H new ATOM 437 N GLY A 28 41.538 8.035 -1.248 1.00 0.00 N ATOM 438 CA GLY A 28 41.900 6.909 -2.171 1.00 0.00 C ATOM 439 C GLY A 28 43.410 6.896 -2.444 1.00 0.00 C ATOM 440 O GLY A 28 44.204 6.545 -1.592 1.00 0.00 O ATOM 0 H GLY A 28 40.978 7.763 -0.440 1.00 0.00 H new ATOM 0 HA2 GLY A 28 41.597 5.959 -1.730 1.00 0.00 H new ATOM 0 HA3 GLY A 28 41.356 7.013 -3.110 1.00 0.00 H new ATOM 444 N GLY A 29 43.801 7.274 -3.634 1.00 0.00 N ATOM 445 CA GLY A 29 45.249 7.289 -3.993 1.00 0.00 C ATOM 446 C GLY A 29 45.381 7.404 -5.512 1.00 0.00 C ATOM 447 O GLY A 29 45.873 8.389 -6.029 1.00 0.00 O ATOM 0 H GLY A 29 43.172 7.575 -4.378 1.00 0.00 H new ATOM 0 HA2 GLY A 29 45.749 8.126 -3.507 1.00 0.00 H new ATOM 0 HA3 GLY A 29 45.734 6.379 -3.640 1.00 0.00 H new ATOM 451 N LEU A 30 44.933 6.404 -6.229 1.00 0.00 N ATOM 452 CA LEU A 30 45.014 6.445 -7.718 1.00 0.00 C ATOM 453 C LEU A 30 43.781 7.165 -8.266 1.00 0.00 C ATOM 454 O LEU A 30 42.917 7.584 -7.518 1.00 0.00 O ATOM 455 CB LEU A 30 45.058 5.019 -8.270 1.00 0.00 C ATOM 456 CG LEU A 30 46.339 4.329 -7.799 1.00 0.00 C ATOM 457 CD1 LEU A 30 46.119 2.815 -7.757 1.00 0.00 C ATOM 458 CD2 LEU A 30 47.478 4.653 -8.771 1.00 0.00 C ATOM 0 H LEU A 30 44.513 5.558 -5.844 1.00 0.00 H new ATOM 0 HA LEU A 30 45.917 6.976 -8.021 1.00 0.00 H new ATOM 0 HB2 LEU A 30 44.186 4.460 -7.932 1.00 0.00 H new ATOM 0 HB3 LEU A 30 45.022 5.038 -9.359 1.00 0.00 H new ATOM 0 HG LEU A 30 46.598 4.685 -6.802 1.00 0.00 H new ATOM 0 HD11 LEU A 30 47.032 2.324 -7.421 1.00 0.00 H new ATOM 0 HD12 LEU A 30 45.308 2.584 -7.066 1.00 0.00 H new ATOM 0 HD13 LEU A 30 45.860 2.457 -8.753 1.00 0.00 H new ATOM 0 HD21 LEU A 30 48.392 4.162 -8.437 1.00 0.00 H new ATOM 0 HD22 LEU A 30 47.218 4.297 -9.768 1.00 0.00 H new ATOM 0 HD23 LEU A 30 47.635 5.731 -8.801 1.00 0.00 H new ATOM 470 N LEU A 31 43.695 7.313 -9.563 1.00 0.00 N ATOM 471 CA LEU A 31 42.520 8.009 -10.164 1.00 0.00 C ATOM 472 C LEU A 31 41.422 6.990 -10.483 1.00 0.00 C ATOM 473 O LEU A 31 40.283 7.152 -10.085 1.00 0.00 O ATOM 474 CB LEU A 31 42.957 8.724 -11.447 1.00 0.00 C ATOM 475 CG LEU A 31 42.336 10.122 -11.495 1.00 0.00 C ATOM 476 CD1 LEU A 31 43.291 11.129 -10.850 1.00 0.00 C ATOM 477 CD2 LEU A 31 42.083 10.515 -12.952 1.00 0.00 C ATOM 0 H LEU A 31 44.390 6.981 -10.232 1.00 0.00 H new ATOM 0 HA LEU A 31 42.129 8.741 -9.457 1.00 0.00 H new ATOM 0 HB2 LEU A 31 44.044 8.797 -11.482 1.00 0.00 H new ATOM 0 HB3 LEU A 31 42.648 8.148 -12.319 1.00 0.00 H new ATOM 0 HG LEU A 31 41.392 10.120 -10.950 1.00 0.00 H new ATOM 0 HD11 LEU A 31 42.848 12.124 -10.885 1.00 0.00 H new ATOM 0 HD12 LEU A 31 43.470 10.847 -9.812 1.00 0.00 H new ATOM 0 HD13 LEU A 31 44.236 11.133 -11.393 1.00 0.00 H new ATOM 0 HD21 LEU A 31 41.641 11.511 -12.989 1.00 0.00 H new ATOM 0 HD22 LEU A 31 43.027 10.517 -13.497 1.00 0.00 H new ATOM 0 HD23 LEU A 31 41.401 9.798 -13.409 1.00 0.00 H new ATOM 489 N GLY A 32 41.754 5.948 -11.203 1.00 0.00 N ATOM 490 CA GLY A 32 40.730 4.920 -11.556 1.00 0.00 C ATOM 491 C GLY A 32 41.256 3.522 -11.222 1.00 0.00 C ATOM 492 O GLY A 32 42.077 2.973 -11.933 1.00 0.00 O ATOM 0 H GLY A 32 42.691 5.765 -11.562 1.00 0.00 H new ATOM 0 HA2 GLY A 32 39.807 5.111 -11.008 1.00 0.00 H new ATOM 0 HA3 GLY A 32 40.490 4.983 -12.617 1.00 0.00 H new ATOM 496 N GLU A 33 40.783 2.944 -10.147 1.00 0.00 N ATOM 497 CA GLU A 33 41.245 1.578 -9.760 1.00 0.00 C ATOM 498 C GLU A 33 40.739 0.559 -10.785 1.00 0.00 C ATOM 499 O GLU A 33 41.488 -0.269 -11.268 1.00 0.00 O ATOM 500 CB GLU A 33 40.691 1.226 -8.378 1.00 0.00 C ATOM 501 CG GLU A 33 41.667 1.694 -7.296 1.00 0.00 C ATOM 502 CD GLU A 33 42.730 0.617 -7.055 1.00 0.00 C ATOM 503 OE1 GLU A 33 42.418 -0.550 -7.231 1.00 0.00 O ATOM 504 OE2 GLU A 33 43.838 0.978 -6.695 1.00 0.00 O ATOM 0 H GLU A 33 40.095 3.361 -9.520 1.00 0.00 H new ATOM 0 HA GLU A 33 42.334 1.557 -9.733 1.00 0.00 H new ATOM 0 HB2 GLU A 33 39.719 1.699 -8.234 1.00 0.00 H new ATOM 0 HB3 GLU A 33 40.536 0.150 -8.301 1.00 0.00 H new ATOM 0 HG2 GLU A 33 42.143 2.626 -7.601 1.00 0.00 H new ATOM 0 HG3 GLU A 33 41.128 1.899 -6.371 1.00 0.00 H new ATOM 511 N LYS A 34 39.471 0.611 -11.114 1.00 0.00 N ATOM 512 CA LYS A 34 38.907 -0.354 -12.104 1.00 0.00 C ATOM 513 C LYS A 34 39.242 0.109 -13.524 1.00 0.00 C ATOM 514 O LYS A 34 40.218 -0.379 -14.069 1.00 0.00 O ATOM 515 CB LYS A 34 37.387 -0.432 -11.934 1.00 0.00 C ATOM 516 CG LYS A 34 37.053 -0.768 -10.479 1.00 0.00 C ATOM 517 CD LYS A 34 35.766 -1.595 -10.426 1.00 0.00 C ATOM 518 CE LYS A 34 35.716 -2.379 -9.113 1.00 0.00 C ATOM 519 NZ LYS A 34 34.442 -3.150 -9.044 1.00 0.00 N ATOM 520 OXT LYS A 34 38.515 0.941 -14.042 1.00 0.00 O ATOM 0 H LYS A 34 38.802 1.283 -10.737 1.00 0.00 H new ATOM 0 HA LYS A 34 39.342 -1.339 -11.935 1.00 0.00 H new ATOM 0 HB2 LYS A 34 36.930 0.517 -12.213 1.00 0.00 H new ATOM 0 HB3 LYS A 34 36.975 -1.192 -12.598 1.00 0.00 H new ATOM 0 HG2 LYS A 34 37.874 -1.324 -10.026 1.00 0.00 H new ATOM 0 HG3 LYS A 34 36.932 0.149 -9.902 1.00 0.00 H new ATOM 0 HD2 LYS A 34 34.898 -0.941 -10.505 1.00 0.00 H new ATOM 0 HD3 LYS A 34 35.727 -2.280 -11.273 1.00 0.00 H new ATOM 0 HE2 LYS A 34 36.568 -3.056 -9.049 1.00 0.00 H new ATOM 0 HE3 LYS A 34 35.787 -1.696 -8.266 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 34.407 -3.683 -8.152 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 33.636 -2.494 -9.087 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 34.393 -3.812 -9.845 1.00 0.00 H new TER 534 LYS A 34