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= -0.15 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 102:sc= 1.15 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- HETATM 1 C ACE A 1 1.019 0.087 -1.541 1.00 0.00 C HETATM 2 O ACE A 1 0.708 1.084 -0.916 1.00 0.00 O HETATM 3 CH3 ACE A 1 0.638 -0.074 -3.014 1.00 0.00 C HETATM 0 H1 ACE A 1 1.542 -0.183 -3.614 1.00 0.00 H new HETATM 0 H2 ACE A 1 0.014 -0.960 -3.134 1.00 0.00 H new HETATM 0 H3 ACE A 1 0.086 0.806 -3.345 1.00 0.00 H new ATOM 7 N ARG A 2 1.689 -0.890 -0.985 1.00 0.00 N ATOM 8 CA ARG A 2 2.094 -0.809 0.447 1.00 0.00 C ATOM 9 C ARG A 2 3.406 -0.009 0.564 1.00 0.00 C ATOM 10 O ARG A 2 3.384 1.192 0.754 1.00 0.00 O ATOM 11 CB ARG A 2 2.268 -2.230 1.000 1.00 0.00 C ATOM 12 CG ARG A 2 0.978 -2.671 1.701 1.00 0.00 C ATOM 13 CD ARG A 2 -0.103 -2.982 0.660 1.00 0.00 C ATOM 14 NE ARG A 2 -1.156 -1.928 0.710 1.00 0.00 N ATOM 15 CZ ARG A 2 -1.949 -1.847 1.745 1.00 0.00 C ATOM 16 NH1 ARG A 2 -3.007 -2.608 1.818 1.00 0.00 N ATOM 17 NH2 ARG A 2 -1.685 -1.004 2.704 1.00 0.00 N ATOM 0 H ARG A 2 1.973 -1.744 -1.465 1.00 0.00 H new ATOM 0 HA ARG A 2 1.326 -0.298 1.028 1.00 0.00 H new ATOM 0 HB2 ARG A 2 2.508 -2.919 0.190 1.00 0.00 H new ATOM 0 HB3 ARG A 2 3.103 -2.259 1.701 1.00 0.00 H new ATOM 0 HG2 ARG A 2 1.170 -3.552 2.313 1.00 0.00 H new ATOM 0 HG3 ARG A 2 0.632 -1.885 2.373 1.00 0.00 H new ATOM 0 HD2 ARG A 2 0.337 -3.025 -0.336 1.00 0.00 H new ATOM 0 HD3 ARG A 2 -0.542 -3.960 0.857 1.00 0.00 H new ATOM 0 HE ARG A 2 -1.257 -1.271 -0.063 1.00 0.00 H new ATOM 0 HH11 ARG A 2 -3.215 -3.266 1.067 1.00 0.00 H new ATOM 0 HH12 ARG A 2 -3.626 -2.545 2.626 1.00 0.00 H new ATOM 0 HH21 ARG A 2 -0.859 -0.408 2.646 1.00 0.00 H new ATOM 0 HH22 ARG A 2 -2.304 -0.941 3.512 1.00 0.00 H new ATOM 31 N TYR A 3 4.542 -0.657 0.450 1.00 0.00 N ATOM 32 CA TYR A 3 5.845 0.065 0.550 1.00 0.00 C ATOM 33 C TYR A 3 6.974 -0.825 -0.010 1.00 0.00 C ATOM 34 O TYR A 3 7.889 -1.186 0.704 1.00 0.00 O ATOM 35 CB TYR A 3 6.129 0.406 2.013 1.00 0.00 C ATOM 36 CG TYR A 3 5.912 -0.812 2.877 1.00 0.00 C ATOM 37 CD1 TYR A 3 4.620 -1.144 3.292 1.00 0.00 C ATOM 38 CD2 TYR A 3 6.998 -1.605 3.259 1.00 0.00 C ATOM 39 CE1 TYR A 3 4.409 -2.272 4.091 1.00 0.00 C ATOM 40 CE2 TYR A 3 6.790 -2.736 4.059 1.00 0.00 C ATOM 41 CZ TYR A 3 5.495 -3.068 4.476 1.00 0.00 C ATOM 42 OH TYR A 3 5.288 -4.182 5.263 1.00 0.00 O ATOM 0 H TYR A 3 4.620 -1.662 0.291 1.00 0.00 H new ATOM 0 HA TYR A 3 5.796 0.987 -0.030 1.00 0.00 H new ATOM 0 HB2 TYR A 3 7.154 0.760 2.120 1.00 0.00 H new ATOM 0 HB3 TYR A 3 5.476 1.215 2.340 1.00 0.00 H new ATOM 0 HD1 TYR A 3 3.783 -0.529 2.995 1.00 0.00 H new ATOM 0 HD2 TYR A 3 7.996 -1.346 2.938 1.00 0.00 H new ATOM 0 HE1 TYR A 3 3.410 -2.529 4.411 1.00 0.00 H new ATOM 0 HE2 TYR A 3 7.627 -3.351 4.354 1.00 0.00 H new ATOM 0 HH TYR A 3 6.146 -4.623 5.438 1.00 0.00 H new ATOM 52 N PRO A 4 6.879 -1.156 -1.279 1.00 0.00 N ATOM 53 CA PRO A 4 7.862 -2.011 -2.030 1.00 0.00 C ATOM 54 C PRO A 4 9.087 -1.194 -2.466 1.00 0.00 C ATOM 55 O PRO A 4 10.146 -1.291 -1.875 1.00 0.00 O ATOM 56 CB PRO A 4 7.110 -2.540 -3.244 1.00 0.00 C ATOM 57 CG PRO A 4 5.977 -1.574 -3.510 1.00 0.00 C ATOM 58 CD PRO A 4 5.783 -0.751 -2.237 1.00 0.00 C ATOM 0 HA PRO A 4 8.238 -2.821 -1.405 1.00 0.00 H new ATOM 0 HB2 PRO A 4 7.771 -2.609 -4.108 1.00 0.00 H new ATOM 0 HB3 PRO A 4 6.727 -3.543 -3.055 1.00 0.00 H new ATOM 0 HG2 PRO A 4 6.212 -0.927 -4.355 1.00 0.00 H new ATOM 0 HG3 PRO A 4 5.064 -2.112 -3.765 1.00 0.00 H new ATOM 0 HD2 PRO A 4 5.836 0.316 -2.455 1.00 0.00 H new ATOM 0 HD3 PRO A 4 4.801 -0.939 -1.802 1.00 0.00 H new ATOM 66 N TYR A 5 8.953 -0.410 -3.503 1.00 0.00 N ATOM 67 CA TYR A 5 10.107 0.402 -4.000 1.00 0.00 C ATOM 68 C TYR A 5 10.451 1.512 -3.003 1.00 0.00 C ATOM 69 O TYR A 5 11.604 1.862 -2.828 1.00 0.00 O ATOM 70 CB TYR A 5 9.738 1.029 -5.347 1.00 0.00 C ATOM 71 CG TYR A 5 10.983 1.209 -6.182 1.00 0.00 C ATOM 72 CD1 TYR A 5 11.747 0.095 -6.550 1.00 0.00 C ATOM 73 CD2 TYR A 5 11.373 2.490 -6.591 1.00 0.00 C ATOM 74 CE1 TYR A 5 12.901 0.262 -7.327 1.00 0.00 C ATOM 75 CE2 TYR A 5 12.525 2.657 -7.368 1.00 0.00 C ATOM 76 CZ TYR A 5 13.290 1.543 -7.735 1.00 0.00 C ATOM 77 OH TYR A 5 14.426 1.707 -8.502 1.00 0.00 O ATOM 0 H TYR A 5 8.088 -0.295 -4.032 1.00 0.00 H new ATOM 0 HA TYR A 5 10.974 -0.249 -4.114 1.00 0.00 H new ATOM 0 HB2 TYR A 5 9.025 0.393 -5.872 1.00 0.00 H new ATOM 0 HB3 TYR A 5 9.251 1.992 -5.190 1.00 0.00 H new ATOM 0 HD1 TYR A 5 11.447 -0.893 -6.235 1.00 0.00 H new ATOM 0 HD2 TYR A 5 10.784 3.350 -6.307 1.00 0.00 H new ATOM 0 HE1 TYR A 5 13.490 -0.598 -7.611 1.00 0.00 H new ATOM 0 HE2 TYR A 5 12.824 3.645 -7.685 1.00 0.00 H new ATOM 0 HH TYR A 5 14.553 2.658 -8.700 1.00 0.00 H new ATOM 87 N TYR A 6 9.462 2.076 -2.359 1.00 0.00 N ATOM 88 CA TYR A 6 9.727 3.175 -1.381 1.00 0.00 C ATOM 89 C TYR A 6 10.608 2.661 -0.239 1.00 0.00 C ATOM 90 O TYR A 6 11.362 3.409 0.355 1.00 0.00 O ATOM 91 CB TYR A 6 8.400 3.682 -0.811 1.00 0.00 C ATOM 92 CG TYR A 6 8.576 5.091 -0.300 1.00 0.00 C ATOM 93 CD1 TYR A 6 9.198 5.316 0.935 1.00 0.00 C ATOM 94 CD2 TYR A 6 8.118 6.173 -1.061 1.00 0.00 C ATOM 95 CE1 TYR A 6 9.364 6.624 1.407 1.00 0.00 C ATOM 96 CE2 TYR A 6 8.283 7.481 -0.588 1.00 0.00 C ATOM 97 CZ TYR A 6 8.906 7.706 0.646 1.00 0.00 C ATOM 98 OH TYR A 6 9.070 8.995 1.111 1.00 0.00 O ATOM 0 H TYR A 6 8.480 1.823 -2.468 1.00 0.00 H new ATOM 0 HA TYR A 6 10.243 3.989 -1.891 1.00 0.00 H new ATOM 0 HB2 TYR A 6 7.628 3.657 -1.580 1.00 0.00 H new ATOM 0 HB3 TYR A 6 8.066 3.030 -0.004 1.00 0.00 H new ATOM 0 HD1 TYR A 6 9.549 4.481 1.523 1.00 0.00 H new ATOM 0 HD2 TYR A 6 7.638 5.999 -2.013 1.00 0.00 H new ATOM 0 HE1 TYR A 6 9.845 6.798 2.358 1.00 0.00 H new ATOM 0 HE2 TYR A 6 7.930 8.316 -1.175 1.00 0.00 H new ATOM 0 HH TYR A 6 8.698 9.627 0.461 1.00 0.00 H new ATOM 108 N LEU A 7 10.513 1.394 0.074 1.00 0.00 N ATOM 109 CA LEU A 7 11.337 0.826 1.180 1.00 0.00 C ATOM 110 C LEU A 7 12.669 0.308 0.627 1.00 0.00 C ATOM 111 O LEU A 7 13.668 0.274 1.323 1.00 0.00 O ATOM 112 CB LEU A 7 10.576 -0.325 1.838 1.00 0.00 C ATOM 113 CG LEU A 7 11.229 -0.668 3.178 1.00 0.00 C ATOM 114 CD1 LEU A 7 10.632 0.212 4.278 1.00 0.00 C ATOM 115 CD2 LEU A 7 10.969 -2.140 3.507 1.00 0.00 C ATOM 0 H LEU A 7 9.897 0.727 -0.391 1.00 0.00 H new ATOM 0 HA LEU A 7 11.535 1.605 1.917 1.00 0.00 H new ATOM 0 HB2 LEU A 7 9.533 -0.046 1.990 1.00 0.00 H new ATOM 0 HB3 LEU A 7 10.580 -1.198 1.185 1.00 0.00 H new ATOM 0 HG LEU A 7 12.303 -0.491 3.115 1.00 0.00 H new ATOM 0 HD11 LEU A 7 11.098 -0.033 5.233 1.00 0.00 H new ATOM 0 HD12 LEU A 7 10.814 1.261 4.044 1.00 0.00 H new ATOM 0 HD13 LEU A 7 9.558 0.036 4.342 1.00 0.00 H new ATOM 0 HD21 LEU A 7 11.433 -2.387 4.462 1.00 0.00 H new ATOM 0 HD22 LEU A 7 9.895 -2.315 3.570 1.00 0.00 H new ATOM 0 HD23 LEU A 7 11.393 -2.768 2.724 1.00 0.00 H new ATOM 127 N SER A 8 12.685 -0.102 -0.615 1.00 0.00 N ATOM 128 CA SER A 8 13.943 -0.627 -1.223 1.00 0.00 C ATOM 129 C SER A 8 15.010 0.473 -1.274 1.00 0.00 C ATOM 130 O SER A 8 16.183 0.191 -1.431 1.00 0.00 O ATOM 131 CB SER A 8 13.652 -1.119 -2.641 1.00 0.00 C ATOM 132 OG SER A 8 13.217 -2.471 -2.588 1.00 0.00 O ATOM 0 H SER A 8 11.876 -0.095 -1.237 1.00 0.00 H new ATOM 0 HA SER A 8 14.315 -1.450 -0.613 1.00 0.00 H new ATOM 0 HB2 SER A 8 12.887 -0.496 -3.105 1.00 0.00 H new ATOM 0 HB3 SER A 8 14.547 -1.037 -3.258 1.00 0.00 H new ATOM 0 HG SER A 8 13.028 -2.790 -3.495 1.00 0.00 H new ATOM 138 N ASP A 9 14.621 1.719 -1.146 1.00 0.00 N ATOM 139 CA ASP A 9 15.621 2.826 -1.191 1.00 0.00 C ATOM 140 C ASP A 9 16.484 2.785 0.073 1.00 0.00 C ATOM 141 O ASP A 9 17.671 3.045 0.030 1.00 0.00 O ATOM 142 CB ASP A 9 14.890 4.171 -1.271 1.00 0.00 C ATOM 143 CG ASP A 9 15.656 5.118 -2.198 1.00 0.00 C ATOM 144 OD1 ASP A 9 16.794 5.427 -1.888 1.00 0.00 O ATOM 145 OD2 ASP A 9 15.089 5.518 -3.202 1.00 0.00 O ATOM 0 H ASP A 9 13.654 2.015 -1.012 1.00 0.00 H new ATOM 0 HA ASP A 9 16.257 2.707 -2.068 1.00 0.00 H new ATOM 0 HB2 ASP A 9 13.876 4.024 -1.643 1.00 0.00 H new ATOM 0 HB3 ASP A 9 14.805 4.609 -0.277 1.00 0.00 H new ATOM 150 N ILE A 10 15.895 2.463 1.198 1.00 0.00 N ATOM 151 CA ILE A 10 16.676 2.407 2.471 1.00 0.00 C ATOM 152 C ILE A 10 17.584 1.174 2.468 1.00 0.00 C ATOM 153 O ILE A 10 18.781 1.277 2.659 1.00 0.00 O ATOM 154 CB ILE A 10 15.713 2.320 3.658 1.00 0.00 C ATOM 155 CG1 ILE A 10 14.683 3.464 3.582 1.00 0.00 C ATOM 156 CG2 ILE A 10 16.508 2.426 4.964 1.00 0.00 C ATOM 157 CD1 ILE A 10 13.279 2.883 3.383 1.00 0.00 C ATOM 0 H ILE A 10 14.905 2.236 1.289 1.00 0.00 H new ATOM 0 HA ILE A 10 17.285 3.307 2.557 1.00 0.00 H new ATOM 0 HB ILE A 10 15.186 1.366 3.628 1.00 0.00 H new ATOM 0 HG12 ILE A 10 14.715 4.057 4.496 1.00 0.00 H new ATOM 0 HG13 ILE A 10 14.930 4.134 2.759 1.00 0.00 H new ATOM 0 HG21 ILE A 10 15.825 2.364 5.812 1.00 0.00 H new ATOM 0 HG22 ILE A 10 17.229 1.610 5.019 1.00 0.00 H new ATOM 0 HG23 ILE A 10 17.036 3.379 4.992 1.00 0.00 H new ATOM 0 HD11 ILE A 10 12.554 3.695 3.330 1.00 0.00 H new ATOM 0 HD12 ILE A 10 13.251 2.309 2.457 1.00 0.00 H new ATOM 0 HD13 ILE A 10 13.033 2.231 4.221 1.00 0.00 H new ATOM 169 N THR A 11 17.021 0.009 2.258 1.00 0.00 N ATOM 170 CA THR A 11 17.846 -1.239 2.249 1.00 0.00 C ATOM 171 C THR A 11 18.937 -1.136 1.177 1.00 0.00 C ATOM 172 O THR A 11 19.990 -1.731 1.298 1.00 0.00 O ATOM 173 CB THR A 11 16.955 -2.446 1.945 1.00 0.00 C ATOM 174 OG1 THR A 11 15.843 -2.034 1.162 1.00 0.00 O ATOM 175 CG2 THR A 11 16.462 -3.064 3.255 1.00 0.00 C ATOM 0 H THR A 11 16.024 -0.131 2.092 1.00 0.00 H new ATOM 0 HA THR A 11 18.309 -1.363 3.228 1.00 0.00 H new ATOM 0 HB THR A 11 17.530 -3.188 1.391 1.00 0.00 H new ATOM 0 HG1 THR A 11 15.275 -2.809 0.967 1.00 0.00 H new ATOM 0 HG21 THR A 11 15.828 -3.923 3.036 1.00 0.00 H new ATOM 0 HG22 THR A 11 17.317 -3.386 3.850 1.00 0.00 H new ATOM 0 HG23 THR A 11 15.890 -2.324 3.814 1.00 0.00 H new ATOM 183 N ASP A 12 18.689 -0.386 0.134 1.00 0.00 N ATOM 184 CA ASP A 12 19.707 -0.236 -0.946 1.00 0.00 C ATOM 185 C ASP A 12 20.827 0.683 -0.456 1.00 0.00 C ATOM 186 O ASP A 12 21.981 0.510 -0.800 1.00 0.00 O ATOM 187 CB ASP A 12 19.047 0.372 -2.186 1.00 0.00 C ATOM 188 CG ASP A 12 18.444 -0.743 -3.043 1.00 0.00 C ATOM 189 OD1 ASP A 12 17.731 -1.566 -2.492 1.00 0.00 O ATOM 190 OD2 ASP A 12 18.706 -0.756 -4.234 1.00 0.00 O ATOM 0 H ASP A 12 17.822 0.130 -0.016 1.00 0.00 H new ATOM 0 HA ASP A 12 20.121 -1.211 -1.201 1.00 0.00 H new ATOM 0 HB2 ASP A 12 18.270 1.077 -1.889 1.00 0.00 H new ATOM 0 HB3 ASP A 12 19.782 0.932 -2.764 1.00 0.00 H new ATOM 195 N VAL A 13 20.489 1.657 0.348 1.00 0.00 N ATOM 196 CA VAL A 13 21.520 2.597 0.876 1.00 0.00 C ATOM 197 C VAL A 13 22.404 1.868 1.898 1.00 0.00 C ATOM 198 O VAL A 13 23.550 2.222 2.096 1.00 0.00 O ATOM 199 CB VAL A 13 20.820 3.789 1.539 1.00 0.00 C ATOM 200 CG1 VAL A 13 21.858 4.772 2.092 1.00 0.00 C ATOM 201 CG2 VAL A 13 19.947 4.507 0.504 1.00 0.00 C ATOM 0 H VAL A 13 19.537 1.842 0.663 1.00 0.00 H new ATOM 0 HA VAL A 13 22.147 2.956 0.060 1.00 0.00 H new ATOM 0 HB VAL A 13 20.201 3.424 2.359 1.00 0.00 H new ATOM 0 HG11 VAL A 13 21.348 5.614 2.560 1.00 0.00 H new ATOM 0 HG12 VAL A 13 22.479 4.267 2.832 1.00 0.00 H new ATOM 0 HG13 VAL A 13 22.485 5.135 1.278 1.00 0.00 H new ATOM 0 HG21 VAL A 13 19.449 5.355 0.974 1.00 0.00 H new ATOM 0 HG22 VAL A 13 20.572 4.862 -0.316 1.00 0.00 H new ATOM 0 HG23 VAL A 13 19.199 3.815 0.117 1.00 0.00 H new ATOM 211 N ILE A 14 21.878 0.857 2.544 1.00 0.00 N ATOM 212 CA ILE A 14 22.682 0.104 3.552 1.00 0.00 C ATOM 213 C ILE A 14 23.558 -0.933 2.839 1.00 0.00 C ATOM 214 O ILE A 14 24.671 -1.211 3.248 1.00 0.00 O ATOM 215 CB ILE A 14 21.732 -0.607 4.527 1.00 0.00 C ATOM 216 CG1 ILE A 14 20.807 0.422 5.202 1.00 0.00 C ATOM 217 CG2 ILE A 14 22.543 -1.347 5.596 1.00 0.00 C ATOM 218 CD1 ILE A 14 21.629 1.459 5.980 1.00 0.00 C ATOM 0 H ILE A 14 20.924 0.521 2.415 1.00 0.00 H new ATOM 0 HA ILE A 14 23.320 0.796 4.102 1.00 0.00 H new ATOM 0 HB ILE A 14 21.127 -1.324 3.973 1.00 0.00 H new ATOM 0 HG12 ILE A 14 20.200 0.923 4.448 1.00 0.00 H new ATOM 0 HG13 ILE A 14 20.120 -0.087 5.878 1.00 0.00 H new ATOM 0 HG21 ILE A 14 21.864 -1.849 6.285 1.00 0.00 H new ATOM 0 HG22 ILE A 14 23.187 -2.085 5.118 1.00 0.00 H new ATOM 0 HG23 ILE A 14 23.156 -0.633 6.147 1.00 0.00 H new ATOM 0 HD11 ILE A 14 20.957 2.177 6.450 1.00 0.00 H new ATOM 0 HD12 ILE A 14 22.217 0.956 6.748 1.00 0.00 H new ATOM 0 HD13 ILE A 14 22.298 1.981 5.296 1.00 0.00 H new ATOM 230 N PHE A 15 23.054 -1.509 1.781 1.00 0.00 N ATOM 231 CA PHE A 15 23.829 -2.539 1.031 1.00 0.00 C ATOM 232 C PHE A 15 25.059 -1.897 0.387 1.00 0.00 C ATOM 233 O PHE A 15 26.142 -2.453 0.408 1.00 0.00 O ATOM 234 CB PHE A 15 22.938 -3.138 -0.058 1.00 0.00 C ATOM 235 CG PHE A 15 23.325 -4.576 -0.294 1.00 0.00 C ATOM 236 CD1 PHE A 15 22.959 -5.560 0.632 1.00 0.00 C ATOM 237 CD2 PHE A 15 24.050 -4.927 -1.438 1.00 0.00 C ATOM 238 CE1 PHE A 15 23.318 -6.895 0.414 1.00 0.00 C ATOM 239 CE2 PHE A 15 24.409 -6.262 -1.657 1.00 0.00 C ATOM 240 CZ PHE A 15 24.043 -7.246 -0.731 1.00 0.00 C ATOM 0 H PHE A 15 22.129 -1.308 1.401 1.00 0.00 H new ATOM 0 HA PHE A 15 24.154 -3.321 1.717 1.00 0.00 H new ATOM 0 HB2 PHE A 15 21.891 -3.077 0.240 1.00 0.00 H new ATOM 0 HB3 PHE A 15 23.041 -2.567 -0.981 1.00 0.00 H new ATOM 0 HD1 PHE A 15 22.399 -5.289 1.515 1.00 0.00 H new ATOM 0 HD2 PHE A 15 24.333 -4.168 -2.152 1.00 0.00 H new ATOM 0 HE1 PHE A 15 23.036 -7.654 1.129 1.00 0.00 H new ATOM 0 HE2 PHE A 15 24.968 -6.533 -2.540 1.00 0.00 H new ATOM 0 HZ PHE A 15 24.320 -8.276 -0.900 1.00 0.00 H new ATOM 250 N ILE A 16 24.897 -0.734 -0.189 1.00 0.00 N ATOM 251 CA ILE A 16 26.049 -0.048 -0.844 1.00 0.00 C ATOM 252 C ILE A 16 26.932 0.628 0.213 1.00 0.00 C ATOM 253 O ILE A 16 28.092 0.903 -0.028 1.00 0.00 O ATOM 254 CB ILE A 16 25.521 1.008 -1.820 1.00 0.00 C ATOM 255 CG1 ILE A 16 24.512 0.364 -2.788 1.00 0.00 C ATOM 256 CG2 ILE A 16 26.687 1.610 -2.610 1.00 0.00 C ATOM 257 CD1 ILE A 16 25.182 -0.754 -3.601 1.00 0.00 C ATOM 0 H ILE A 16 24.012 -0.228 -0.234 1.00 0.00 H new ATOM 0 HA ILE A 16 26.644 -0.785 -1.384 1.00 0.00 H new ATOM 0 HB ILE A 16 25.023 1.798 -1.259 1.00 0.00 H new ATOM 0 HG12 ILE A 16 23.670 -0.041 -2.227 1.00 0.00 H new ATOM 0 HG13 ILE A 16 24.112 1.121 -3.462 1.00 0.00 H new ATOM 0 HG21 ILE A 16 26.308 2.361 -3.303 1.00 0.00 H new ATOM 0 HG22 ILE A 16 27.392 2.076 -1.921 1.00 0.00 H new ATOM 0 HG23 ILE A 16 27.193 0.823 -3.169 1.00 0.00 H new ATOM 0 HD11 ILE A 16 24.453 -1.197 -4.280 1.00 0.00 H new ATOM 0 HD12 ILE A 16 26.009 -0.339 -4.177 1.00 0.00 H new ATOM 0 HD13 ILE A 16 25.560 -1.520 -2.924 1.00 0.00 H new ATOM 269 N TYR A 17 26.394 0.904 1.378 1.00 0.00 N ATOM 270 CA TYR A 17 27.204 1.568 2.443 1.00 0.00 C ATOM 271 C TYR A 17 28.375 0.665 2.848 1.00 0.00 C ATOM 272 O TYR A 17 29.505 1.106 2.934 1.00 0.00 O ATOM 273 CB TYR A 17 26.315 1.835 3.666 1.00 0.00 C ATOM 274 CG TYR A 17 26.515 3.253 4.149 1.00 0.00 C ATOM 275 CD1 TYR A 17 26.267 4.327 3.286 1.00 0.00 C ATOM 276 CD2 TYR A 17 26.945 3.493 5.458 1.00 0.00 C ATOM 277 CE1 TYR A 17 26.449 5.641 3.733 1.00 0.00 C ATOM 278 CE2 TYR A 17 27.127 4.807 5.906 1.00 0.00 C ATOM 279 CZ TYR A 17 26.878 5.882 5.043 1.00 0.00 C ATOM 280 OH TYR A 17 27.054 7.177 5.485 1.00 0.00 O ATOM 0 H TYR A 17 25.429 0.697 1.635 1.00 0.00 H new ATOM 0 HA TYR A 17 27.596 2.511 2.062 1.00 0.00 H new ATOM 0 HB2 TYR A 17 25.268 1.674 3.407 1.00 0.00 H new ATOM 0 HB3 TYR A 17 26.558 1.133 4.463 1.00 0.00 H new ATOM 0 HD1 TYR A 17 25.935 4.142 2.275 1.00 0.00 H new ATOM 0 HD2 TYR A 17 27.137 2.664 6.124 1.00 0.00 H new ATOM 0 HE1 TYR A 17 26.258 6.469 3.067 1.00 0.00 H new ATOM 0 HE2 TYR A 17 27.459 4.992 6.917 1.00 0.00 H new ATOM 0 HH TYR A 17 27.354 7.166 6.418 1.00 0.00 H new ATOM 290 N PHE A 18 28.108 -0.590 3.113 1.00 0.00 N ATOM 291 CA PHE A 18 29.198 -1.523 3.529 1.00 0.00 C ATOM 292 C PHE A 18 29.881 -2.127 2.298 1.00 0.00 C ATOM 293 O PHE A 18 31.035 -2.503 2.345 1.00 0.00 O ATOM 294 CB PHE A 18 28.603 -2.650 4.377 1.00 0.00 C ATOM 295 CG PHE A 18 28.708 -2.299 5.841 1.00 0.00 C ATOM 296 CD1 PHE A 18 27.860 -1.330 6.391 1.00 0.00 C ATOM 297 CD2 PHE A 18 29.649 -2.947 6.651 1.00 0.00 C ATOM 298 CE1 PHE A 18 27.954 -1.008 7.750 1.00 0.00 C ATOM 299 CE2 PHE A 18 29.742 -2.625 8.010 1.00 0.00 C ATOM 300 CZ PHE A 18 28.895 -1.655 8.559 1.00 0.00 C ATOM 0 H PHE A 18 27.179 -1.009 3.059 1.00 0.00 H new ATOM 0 HA PHE A 18 29.936 -0.968 4.108 1.00 0.00 H new ATOM 0 HB2 PHE A 18 27.559 -2.809 4.106 1.00 0.00 H new ATOM 0 HB3 PHE A 18 29.130 -3.583 4.179 1.00 0.00 H new ATOM 0 HD1 PHE A 18 27.133 -0.831 5.767 1.00 0.00 H new ATOM 0 HD2 PHE A 18 30.303 -3.695 6.227 1.00 0.00 H new ATOM 0 HE1 PHE A 18 27.300 -0.260 8.174 1.00 0.00 H new ATOM 0 HE2 PHE A 18 30.467 -3.125 8.635 1.00 0.00 H new ATOM 0 HZ PHE A 18 28.968 -1.406 9.607 1.00 0.00 H new ATOM 310 N ALA A 19 29.170 -2.239 1.206 1.00 0.00 N ATOM 311 CA ALA A 19 29.760 -2.837 -0.032 1.00 0.00 C ATOM 312 C ALA A 19 30.957 -2.013 -0.512 1.00 0.00 C ATOM 313 O ALA A 19 32.022 -2.536 -0.762 1.00 0.00 O ATOM 314 CB ALA A 19 28.701 -2.843 -1.132 1.00 0.00 C ATOM 0 H ALA A 19 28.199 -1.940 1.117 1.00 0.00 H new ATOM 0 HA ALA A 19 30.092 -3.851 0.192 1.00 0.00 H new ATOM 0 HB1 ALA A 19 29.121 -3.277 -2.039 1.00 0.00 H new ATOM 0 HB2 ALA A 19 27.845 -3.435 -0.809 1.00 0.00 H new ATOM 0 HB3 ALA A 19 28.380 -1.821 -1.334 1.00 0.00 H new ATOM 320 N ALA A 20 30.772 -0.733 -0.669 1.00 0.00 N ATOM 321 CA ALA A 20 31.873 0.157 -1.163 1.00 0.00 C ATOM 322 C ALA A 20 33.154 -0.030 -0.345 1.00 0.00 C ATOM 323 O ALA A 20 34.230 -0.208 -0.884 1.00 0.00 O ATOM 324 CB ALA A 20 31.423 1.610 -1.034 1.00 0.00 C ATOM 0 H ALA A 20 29.893 -0.253 -0.474 1.00 0.00 H new ATOM 0 HA ALA A 20 32.084 -0.101 -2.201 1.00 0.00 H new ATOM 0 HB1 ALA A 20 32.215 2.269 -1.390 1.00 0.00 H new ATOM 0 HB2 ALA A 20 30.524 1.767 -1.631 1.00 0.00 H new ATOM 0 HB3 ALA A 20 31.208 1.833 0.011 1.00 0.00 H new ATOM 330 N LEU A 21 33.041 0.054 0.946 1.00 0.00 N ATOM 331 CA LEU A 21 34.243 -0.073 1.833 1.00 0.00 C ATOM 332 C LEU A 21 34.610 -1.548 2.094 1.00 0.00 C ATOM 333 O LEU A 21 35.644 -1.837 2.666 1.00 0.00 O ATOM 334 CB LEU A 21 33.928 0.615 3.166 1.00 0.00 C ATOM 335 CG LEU A 21 34.614 1.982 3.219 1.00 0.00 C ATOM 336 CD1 LEU A 21 33.946 2.919 2.212 1.00 0.00 C ATOM 337 CD2 LEU A 21 34.483 2.566 4.630 1.00 0.00 C ATOM 0 H LEU A 21 32.161 0.207 1.438 1.00 0.00 H new ATOM 0 HA LEU A 21 35.094 0.395 1.338 1.00 0.00 H new ATOM 0 HB2 LEU A 21 32.850 0.734 3.278 1.00 0.00 H new ATOM 0 HB3 LEU A 21 34.268 -0.005 3.995 1.00 0.00 H new ATOM 0 HG LEU A 21 35.670 1.873 2.972 1.00 0.00 H new ATOM 0 HD11 LEU A 21 34.431 3.895 2.246 1.00 0.00 H new ATOM 0 HD12 LEU A 21 34.039 2.502 1.209 1.00 0.00 H new ATOM 0 HD13 LEU A 21 32.891 3.030 2.462 1.00 0.00 H new ATOM 0 HD21 LEU A 21 34.972 3.540 4.668 1.00 0.00 H new ATOM 0 HD22 LEU A 21 33.428 2.679 4.880 1.00 0.00 H new ATOM 0 HD23 LEU A 21 34.956 1.895 5.347 1.00 0.00 H new ATOM 349 N SER A 22 33.777 -2.475 1.701 1.00 0.00 N ATOM 350 CA SER A 22 34.080 -3.922 1.951 1.00 0.00 C ATOM 351 C SER A 22 35.425 -4.330 1.315 1.00 0.00 C ATOM 352 O SER A 22 36.268 -4.884 1.993 1.00 0.00 O ATOM 353 CB SER A 22 32.950 -4.780 1.373 1.00 0.00 C ATOM 354 OG SER A 22 32.315 -5.490 2.429 1.00 0.00 O ATOM 0 H SER A 22 32.897 -2.296 1.217 1.00 0.00 H new ATOM 0 HA SER A 22 34.156 -4.080 3.027 1.00 0.00 H new ATOM 0 HB2 SER A 22 32.227 -4.150 0.856 1.00 0.00 H new ATOM 0 HB3 SER A 22 33.348 -5.478 0.637 1.00 0.00 H new ATOM 0 HG SER A 22 31.590 -6.039 2.064 1.00 0.00 H new ATOM 360 N PRO A 23 35.593 -4.069 0.037 1.00 0.00 N ATOM 361 CA PRO A 23 36.829 -4.409 -0.757 1.00 0.00 C ATOM 362 C PRO A 23 37.979 -3.477 -0.397 1.00 0.00 C ATOM 363 O PRO A 23 39.020 -3.904 0.060 1.00 0.00 O ATOM 364 CB PRO A 23 36.454 -4.234 -2.219 1.00 0.00 C ATOM 365 CG PRO A 23 35.283 -3.286 -2.253 1.00 0.00 C ATOM 366 CD PRO A 23 34.612 -3.382 -0.887 1.00 0.00 C ATOM 0 HA PRO A 23 37.161 -5.425 -0.544 1.00 0.00 H new ATOM 0 HB2 PRO A 23 37.293 -3.834 -2.789 1.00 0.00 H new ATOM 0 HB3 PRO A 23 36.191 -5.191 -2.669 1.00 0.00 H new ATOM 0 HG2 PRO A 23 35.614 -2.267 -2.452 1.00 0.00 H new ATOM 0 HG3 PRO A 23 34.587 -3.556 -3.047 1.00 0.00 H new ATOM 0 HD2 PRO A 23 34.357 -2.391 -0.512 1.00 0.00 H new ATOM 0 HD3 PRO A 23 33.682 -3.947 -0.952 1.00 0.00 H new ATOM 374 N ALA A 24 37.797 -2.208 -0.620 1.00 0.00 N ATOM 375 CA ALA A 24 38.871 -1.201 -0.320 1.00 0.00 C ATOM 376 C ALA A 24 39.475 -1.426 1.078 1.00 0.00 C ATOM 377 O ALA A 24 40.616 -1.088 1.326 1.00 0.00 O ATOM 378 CB ALA A 24 38.268 0.204 -0.382 1.00 0.00 C ATOM 0 H ALA A 24 36.939 -1.812 -1.003 1.00 0.00 H new ATOM 0 HA ALA A 24 39.664 -1.314 -1.059 1.00 0.00 H new ATOM 0 HB1 ALA A 24 39.041 0.942 -0.165 1.00 0.00 H new ATOM 0 HB2 ALA A 24 37.865 0.383 -1.379 1.00 0.00 H new ATOM 0 HB3 ALA A 24 37.468 0.290 0.354 1.00 0.00 H new ATOM 384 N ILE A 25 38.715 -1.983 1.987 1.00 0.00 N ATOM 385 CA ILE A 25 39.240 -2.218 3.367 1.00 0.00 C ATOM 386 C ILE A 25 39.894 -3.607 3.469 1.00 0.00 C ATOM 387 O ILE A 25 40.947 -3.757 4.060 1.00 0.00 O ATOM 388 CB ILE A 25 38.083 -2.105 4.373 1.00 0.00 C ATOM 389 CG1 ILE A 25 37.528 -0.678 4.334 1.00 0.00 C ATOM 390 CG2 ILE A 25 38.584 -2.407 5.794 1.00 0.00 C ATOM 391 CD1 ILE A 25 36.313 -0.574 5.258 1.00 0.00 C ATOM 0 H ILE A 25 37.753 -2.285 1.833 1.00 0.00 H new ATOM 0 HA ILE A 25 39.998 -1.468 3.593 1.00 0.00 H new ATOM 0 HB ILE A 25 37.306 -2.822 4.108 1.00 0.00 H new ATOM 0 HG12 ILE A 25 38.296 0.030 4.645 1.00 0.00 H new ATOM 0 HG13 ILE A 25 37.246 -0.415 3.315 1.00 0.00 H new ATOM 0 HG21 ILE A 25 37.755 -2.324 6.497 1.00 0.00 H new ATOM 0 HG22 ILE A 25 38.990 -3.418 5.830 1.00 0.00 H new ATOM 0 HG23 ILE A 25 39.363 -1.694 6.065 1.00 0.00 H new ATOM 0 HD11 ILE A 25 35.920 0.442 5.229 1.00 0.00 H new ATOM 0 HD12 ILE A 25 35.543 -1.271 4.927 1.00 0.00 H new ATOM 0 HD13 ILE A 25 36.609 -0.819 6.278 1.00 0.00 H new ATOM 403 N THR A 26 39.272 -4.620 2.922 1.00 0.00 N ATOM 404 CA THR A 26 39.847 -5.996 3.014 1.00 0.00 C ATOM 405 C THR A 26 41.201 -6.051 2.302 1.00 0.00 C ATOM 406 O THR A 26 42.218 -6.331 2.910 1.00 0.00 O ATOM 407 CB THR A 26 38.881 -6.993 2.370 1.00 0.00 C ATOM 408 OG1 THR A 26 37.588 -6.824 2.937 1.00 0.00 O ATOM 409 CG2 THR A 26 39.369 -8.420 2.628 1.00 0.00 C ATOM 0 H THR A 26 38.389 -4.554 2.415 1.00 0.00 H new ATOM 0 HA THR A 26 39.993 -6.254 4.063 1.00 0.00 H new ATOM 0 HB THR A 26 38.837 -6.816 1.295 1.00 0.00 H new ATOM 0 HG1 THR A 26 37.023 -6.316 2.318 1.00 0.00 H new ATOM 0 HG21 THR A 26 38.680 -9.129 2.169 1.00 0.00 H new ATOM 0 HG22 THR A 26 40.362 -8.548 2.197 1.00 0.00 H new ATOM 0 HG23 THR A 26 39.413 -8.601 3.702 1.00 0.00 H new ATOM 417 N PHE A 27 41.219 -5.791 1.022 1.00 0.00 N ATOM 418 CA PHE A 27 42.504 -5.831 0.261 1.00 0.00 C ATOM 419 C PHE A 27 43.398 -4.666 0.700 1.00 0.00 C ATOM 420 O PHE A 27 43.342 -3.587 0.140 1.00 0.00 O ATOM 421 CB PHE A 27 42.207 -5.720 -1.240 1.00 0.00 C ATOM 422 CG PHE A 27 43.019 -6.742 -2.001 1.00 0.00 C ATOM 423 CD1 PHE A 27 42.656 -8.093 -1.961 1.00 0.00 C ATOM 424 CD2 PHE A 27 44.132 -6.338 -2.748 1.00 0.00 C ATOM 425 CE1 PHE A 27 43.405 -9.041 -2.668 1.00 0.00 C ATOM 426 CE2 PHE A 27 44.881 -7.285 -3.455 1.00 0.00 C ATOM 427 CZ PHE A 27 44.518 -8.637 -3.415 1.00 0.00 C ATOM 0 H PHE A 27 40.397 -5.552 0.468 1.00 0.00 H new ATOM 0 HA PHE A 27 43.019 -6.771 0.461 1.00 0.00 H new ATOM 0 HB2 PHE A 27 41.144 -5.878 -1.422 1.00 0.00 H new ATOM 0 HB3 PHE A 27 42.445 -4.717 -1.594 1.00 0.00 H new ATOM 0 HD1 PHE A 27 41.798 -8.404 -1.384 1.00 0.00 H new ATOM 0 HD2 PHE A 27 44.412 -5.295 -2.779 1.00 0.00 H new ATOM 0 HE1 PHE A 27 43.124 -10.083 -2.637 1.00 0.00 H new ATOM 0 HE2 PHE A 27 45.739 -6.973 -4.032 1.00 0.00 H new ATOM 0 HZ PHE A 27 45.097 -9.368 -3.960 1.00 0.00 H new ATOM 437 N GLY A 28 44.219 -4.879 1.697 1.00 0.00 N ATOM 438 CA GLY A 28 45.120 -3.791 2.181 1.00 0.00 C ATOM 439 C GLY A 28 46.311 -3.647 1.230 1.00 0.00 C ATOM 440 O GLY A 28 46.964 -4.616 0.889 1.00 0.00 O ATOM 0 H GLY A 28 44.304 -5.763 2.198 1.00 0.00 H new ATOM 0 HA2 GLY A 28 44.572 -2.850 2.238 1.00 0.00 H new ATOM 0 HA3 GLY A 28 45.471 -4.017 3.188 1.00 0.00 H new ATOM 444 N GLY A 29 46.597 -2.443 0.802 1.00 0.00 N ATOM 445 CA GLY A 29 47.745 -2.224 -0.128 1.00 0.00 C ATOM 446 C GLY A 29 47.663 -0.818 -0.724 1.00 0.00 C ATOM 447 O GLY A 29 47.327 -0.645 -1.880 1.00 0.00 O ATOM 0 H GLY A 29 46.083 -1.600 1.058 1.00 0.00 H new ATOM 0 HA2 GLY A 29 48.687 -2.349 0.406 1.00 0.00 H new ATOM 0 HA3 GLY A 29 47.728 -2.969 -0.924 1.00 0.00 H new ATOM 451 N LEU A 30 47.971 0.186 0.058 1.00 0.00 N ATOM 452 CA LEU A 30 47.915 1.587 -0.455 1.00 0.00 C ATOM 453 C LEU A 30 49.086 1.822 -1.414 1.00 0.00 C ATOM 454 O LEU A 30 50.236 1.643 -1.059 1.00 0.00 O ATOM 455 CB LEU A 30 48.000 2.568 0.727 1.00 0.00 C ATOM 456 CG LEU A 30 46.623 3.192 1.005 1.00 0.00 C ATOM 457 CD1 LEU A 30 46.141 3.963 -0.227 1.00 0.00 C ATOM 458 CD2 LEU A 30 45.611 2.092 1.346 1.00 0.00 C ATOM 0 H LEU A 30 48.259 0.094 1.032 1.00 0.00 H new ATOM 0 HA LEU A 30 46.977 1.748 -0.987 1.00 0.00 H new ATOM 0 HB2 LEU A 30 48.356 2.047 1.616 1.00 0.00 H new ATOM 0 HB3 LEU A 30 48.724 3.352 0.506 1.00 0.00 H new ATOM 0 HG LEU A 30 46.710 3.877 1.848 1.00 0.00 H new ATOM 0 HD11 LEU A 30 45.165 4.402 -0.022 1.00 0.00 H new ATOM 0 HD12 LEU A 30 46.853 4.754 -0.462 1.00 0.00 H new ATOM 0 HD13 LEU A 30 46.062 3.282 -1.074 1.00 0.00 H new ATOM 0 HD21 LEU A 30 44.637 2.541 1.542 1.00 0.00 H new ATOM 0 HD22 LEU A 30 45.529 1.400 0.508 1.00 0.00 H new ATOM 0 HD23 LEU A 30 45.946 1.551 2.231 1.00 0.00 H new ATOM 470 N LEU A 31 48.796 2.217 -2.627 1.00 0.00 N ATOM 471 CA LEU A 31 49.880 2.462 -3.623 1.00 0.00 C ATOM 472 C LEU A 31 50.628 3.751 -3.271 1.00 0.00 C ATOM 473 O LEU A 31 51.813 3.876 -3.520 1.00 0.00 O ATOM 474 CB LEU A 31 49.262 2.593 -5.020 1.00 0.00 C ATOM 475 CG LEU A 31 50.375 2.619 -6.083 1.00 0.00 C ATOM 476 CD1 LEU A 31 50.072 1.589 -7.175 1.00 0.00 C ATOM 477 CD2 LEU A 31 50.452 4.013 -6.716 1.00 0.00 C ATOM 0 H LEU A 31 47.850 2.381 -2.971 1.00 0.00 H new ATOM 0 HA LEU A 31 50.581 1.627 -3.608 1.00 0.00 H new ATOM 0 HB2 LEU A 31 48.586 1.759 -5.208 1.00 0.00 H new ATOM 0 HB3 LEU A 31 48.668 3.505 -5.081 1.00 0.00 H new ATOM 0 HG LEU A 31 51.326 2.379 -5.607 1.00 0.00 H new ATOM 0 HD11 LEU A 31 50.862 1.611 -7.925 1.00 0.00 H new ATOM 0 HD12 LEU A 31 50.019 0.594 -6.732 1.00 0.00 H new ATOM 0 HD13 LEU A 31 49.118 1.828 -7.646 1.00 0.00 H new ATOM 0 HD21 LEU A 31 51.241 4.028 -7.468 1.00 0.00 H new ATOM 0 HD22 LEU A 31 49.498 4.252 -7.186 1.00 0.00 H new ATOM 0 HD23 LEU A 31 50.672 4.751 -5.945 1.00 0.00 H new ATOM 489 N GLY A 32 49.946 4.709 -2.694 1.00 0.00 N ATOM 490 CA GLY A 32 50.614 5.993 -2.326 1.00 0.00 C ATOM 491 C GLY A 32 49.680 6.824 -1.444 1.00 0.00 C ATOM 492 O GLY A 32 48.472 6.774 -1.586 1.00 0.00 O ATOM 0 H GLY A 32 48.954 4.656 -2.462 1.00 0.00 H new ATOM 0 HA2 GLY A 32 51.546 5.791 -1.797 1.00 0.00 H new ATOM 0 HA3 GLY A 32 50.873 6.551 -3.226 1.00 0.00 H new ATOM 496 N GLU A 33 50.232 7.586 -0.535 1.00 0.00 N ATOM 497 CA GLU A 33 49.385 8.424 0.363 1.00 0.00 C ATOM 498 C GLU A 33 48.815 9.603 -0.430 1.00 0.00 C ATOM 499 O GLU A 33 47.632 9.881 -0.377 1.00 0.00 O ATOM 500 CB GLU A 33 50.238 8.946 1.526 1.00 0.00 C ATOM 501 CG GLU A 33 49.968 8.108 2.779 1.00 0.00 C ATOM 502 CD GLU A 33 48.844 8.753 3.591 1.00 0.00 C ATOM 503 OE1 GLU A 33 47.857 9.147 2.990 1.00 0.00 O ATOM 504 OE2 GLU A 33 48.989 8.845 4.799 1.00 0.00 O ATOM 0 H GLU A 33 51.237 7.663 -0.376 1.00 0.00 H new ATOM 0 HA GLU A 33 48.565 7.825 0.758 1.00 0.00 H new ATOM 0 HB2 GLU A 33 51.295 8.898 1.265 1.00 0.00 H new ATOM 0 HB3 GLU A 33 50.005 9.993 1.720 1.00 0.00 H new ATOM 0 HG2 GLU A 33 49.691 7.092 2.497 1.00 0.00 H new ATOM 0 HG3 GLU A 33 50.872 8.036 3.383 1.00 0.00 H new ATOM 511 N LYS A 34 49.650 10.294 -1.164 1.00 0.00 N ATOM 512 CA LYS A 34 49.166 11.454 -1.965 1.00 0.00 C ATOM 513 C LYS A 34 48.520 10.947 -3.256 1.00 0.00 C ATOM 514 O LYS A 34 48.518 9.745 -3.461 1.00 0.00 O ATOM 515 CB LYS A 34 50.346 12.366 -2.311 1.00 0.00 C ATOM 516 CG LYS A 34 51.007 12.861 -1.022 1.00 0.00 C ATOM 517 CD LYS A 34 51.556 14.277 -1.236 1.00 0.00 C ATOM 518 CE LYS A 34 50.622 15.300 -0.583 1.00 0.00 C ATOM 519 NZ LYS A 34 51.123 16.675 -0.862 1.00 0.00 N ATOM 520 OXT LYS A 34 48.036 11.769 -4.015 1.00 0.00 O ATOM 0 H LYS A 34 50.649 10.102 -1.242 1.00 0.00 H new ATOM 0 HA LYS A 34 48.432 12.014 -1.385 1.00 0.00 H new ATOM 0 HB2 LYS A 34 51.071 11.825 -2.919 1.00 0.00 H new ATOM 0 HB3 LYS A 34 50.002 13.213 -2.904 1.00 0.00 H new ATOM 0 HG2 LYS A 34 50.283 12.860 -0.207 1.00 0.00 H new ATOM 0 HG3 LYS A 34 51.814 12.187 -0.733 1.00 0.00 H new ATOM 0 HD2 LYS A 34 52.555 14.358 -0.808 1.00 0.00 H new ATOM 0 HD3 LYS A 34 51.648 14.484 -2.302 1.00 0.00 H new ATOM 0 HE2 LYS A 34 49.610 15.184 -0.970 1.00 0.00 H new ATOM 0 HE3 LYS A 34 50.573 15.130 0.493 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 50.490 17.372 -0.419 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 52.081 16.781 -0.472 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 51.148 16.834 -1.890 1.00 0.00 H new TER 534 LYS A 34