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 82:sc= 1.05 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 68:sc= 0.557 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- HETATM 1 C ACE A 1 6.459 14.463 -5.674 1.00 0.00 C HETATM 2 O ACE A 1 6.282 15.101 -6.695 1.00 0.00 O HETATM 3 CH3 ACE A 1 5.367 13.549 -5.115 1.00 0.00 C HETATM 0 H1 ACE A 1 5.737 12.525 -5.071 1.00 0.00 H new HETATM 0 H2 ACE A 1 5.094 13.879 -4.113 1.00 0.00 H new HETATM 0 H3 ACE A 1 4.491 13.591 -5.762 1.00 0.00 H new ATOM 7 N ARG A 2 7.587 14.528 -5.012 1.00 0.00 N ATOM 8 CA ARG A 2 8.697 15.395 -5.495 1.00 0.00 C ATOM 9 C ARG A 2 9.946 14.544 -5.725 1.00 0.00 C ATOM 10 O ARG A 2 10.653 14.714 -6.701 1.00 0.00 O ATOM 11 CB ARG A 2 8.997 16.473 -4.452 1.00 0.00 C ATOM 12 CG ARG A 2 8.161 17.721 -4.749 1.00 0.00 C ATOM 13 CD ARG A 2 8.944 18.977 -4.352 1.00 0.00 C ATOM 14 NE ARG A 2 8.865 19.980 -5.451 1.00 0.00 N ATOM 15 CZ ARG A 2 9.942 20.308 -6.110 1.00 0.00 C ATOM 16 NH1 ARG A 2 10.760 19.379 -6.526 1.00 0.00 N ATOM 17 NH2 ARG A 2 10.203 21.563 -6.353 1.00 0.00 N ATOM 0 H ARG A 2 7.785 14.014 -4.154 1.00 0.00 H new ATOM 0 HA ARG A 2 8.404 15.870 -6.431 1.00 0.00 H new ATOM 0 HB2 ARG A 2 8.770 16.100 -3.453 1.00 0.00 H new ATOM 0 HB3 ARG A 2 10.058 16.722 -4.466 1.00 0.00 H new ATOM 0 HG2 ARG A 2 7.910 17.758 -5.809 1.00 0.00 H new ATOM 0 HG3 ARG A 2 7.220 17.679 -4.200 1.00 0.00 H new ATOM 0 HD2 ARG A 2 8.537 19.397 -3.432 1.00 0.00 H new ATOM 0 HD3 ARG A 2 9.985 18.722 -4.152 1.00 0.00 H new ATOM 0 HE ARG A 2 7.971 20.409 -5.688 1.00 0.00 H new ATOM 0 HH11 ARG A 2 10.557 18.398 -6.336 1.00 0.00 H new ATOM 0 HH12 ARG A 2 11.602 19.635 -7.041 1.00 0.00 H new ATOM 0 HH21 ARG A 2 9.565 22.289 -6.028 1.00 0.00 H new ATOM 0 HH22 ARG A 2 11.045 21.818 -6.868 1.00 0.00 H new ATOM 31 N TYR A 3 10.218 13.629 -4.833 1.00 0.00 N ATOM 32 CA TYR A 3 11.418 12.758 -4.985 1.00 0.00 C ATOM 33 C TYR A 3 11.081 11.318 -4.546 1.00 0.00 C ATOM 34 O TYR A 3 11.696 10.788 -3.640 1.00 0.00 O ATOM 35 CB TYR A 3 12.560 13.311 -4.129 1.00 0.00 C ATOM 36 CG TYR A 3 12.077 13.511 -2.713 1.00 0.00 C ATOM 37 CD1 TYR A 3 11.285 14.621 -2.396 1.00 0.00 C ATOM 38 CD2 TYR A 3 12.422 12.590 -1.719 1.00 0.00 C ATOM 39 CE1 TYR A 3 10.839 14.809 -1.083 1.00 0.00 C ATOM 40 CE2 TYR A 3 11.975 12.776 -0.406 1.00 0.00 C ATOM 41 CZ TYR A 3 11.184 13.887 -0.087 1.00 0.00 C ATOM 42 OH TYR A 3 10.745 14.073 1.208 1.00 0.00 O ATOM 0 H TYR A 3 9.657 13.447 -4.001 1.00 0.00 H new ATOM 0 HA TYR A 3 11.725 12.744 -6.031 1.00 0.00 H new ATOM 0 HB2 TYR A 3 13.405 12.623 -4.142 1.00 0.00 H new ATOM 0 HB3 TYR A 3 12.913 14.256 -4.541 1.00 0.00 H new ATOM 0 HD1 TYR A 3 11.018 15.332 -3.164 1.00 0.00 H new ATOM 0 HD2 TYR A 3 13.034 11.735 -1.965 1.00 0.00 H new ATOM 0 HE1 TYR A 3 10.229 15.665 -0.838 1.00 0.00 H new ATOM 0 HE2 TYR A 3 12.240 12.063 0.361 1.00 0.00 H new ATOM 0 HH TYR A 3 11.073 13.342 1.773 1.00 0.00 H new ATOM 52 N PRO A 4 10.119 10.714 -5.209 1.00 0.00 N ATOM 53 CA PRO A 4 9.641 9.311 -4.956 1.00 0.00 C ATOM 54 C PRO A 4 10.586 8.304 -5.611 1.00 0.00 C ATOM 55 O PRO A 4 11.250 7.532 -4.946 1.00 0.00 O ATOM 56 CB PRO A 4 8.258 9.222 -5.581 1.00 0.00 C ATOM 57 CG PRO A 4 8.185 10.294 -6.644 1.00 0.00 C ATOM 58 CD PRO A 4 9.304 11.290 -6.347 1.00 0.00 C ATOM 0 HA PRO A 4 9.613 9.083 -3.890 1.00 0.00 H new ATOM 0 HB2 PRO A 4 8.094 8.236 -6.015 1.00 0.00 H new ATOM 0 HB3 PRO A 4 7.484 9.372 -4.828 1.00 0.00 H new ATOM 0 HG2 PRO A 4 8.306 9.862 -7.637 1.00 0.00 H new ATOM 0 HG3 PRO A 4 7.214 10.788 -6.628 1.00 0.00 H new ATOM 0 HD2 PRO A 4 9.927 11.444 -7.228 1.00 0.00 H new ATOM 0 HD3 PRO A 4 8.893 12.262 -6.074 1.00 0.00 H new ATOM 66 N TYR A 5 10.640 8.314 -6.910 1.00 0.00 N ATOM 67 CA TYR A 5 11.531 7.370 -7.649 1.00 0.00 C ATOM 68 C TYR A 5 12.997 7.574 -7.233 1.00 0.00 C ATOM 69 O TYR A 5 13.828 6.708 -7.439 1.00 0.00 O ATOM 70 CB TYR A 5 11.391 7.625 -9.150 1.00 0.00 C ATOM 71 CG TYR A 5 11.740 6.370 -9.911 1.00 0.00 C ATOM 72 CD1 TYR A 5 13.081 6.012 -10.092 1.00 0.00 C ATOM 73 CD2 TYR A 5 10.723 5.567 -10.441 1.00 0.00 C ATOM 74 CE1 TYR A 5 13.405 4.849 -10.801 1.00 0.00 C ATOM 75 CE2 TYR A 5 11.047 4.405 -11.151 1.00 0.00 C ATOM 76 CZ TYR A 5 12.388 4.046 -11.331 1.00 0.00 C ATOM 77 OH TYR A 5 12.708 2.902 -12.033 1.00 0.00 O ATOM 0 H TYR A 5 10.099 8.943 -7.503 1.00 0.00 H new ATOM 0 HA TYR A 5 11.239 6.347 -7.411 1.00 0.00 H new ATOM 0 HB2 TYR A 5 10.372 7.932 -9.383 1.00 0.00 H new ATOM 0 HB3 TYR A 5 12.047 8.441 -9.453 1.00 0.00 H new ATOM 0 HD1 TYR A 5 13.865 6.633 -9.685 1.00 0.00 H new ATOM 0 HD2 TYR A 5 9.688 5.844 -10.302 1.00 0.00 H new ATOM 0 HE1 TYR A 5 14.440 4.571 -10.939 1.00 0.00 H new ATOM 0 HE2 TYR A 5 10.262 3.786 -11.560 1.00 0.00 H new ATOM 0 HH TYR A 5 11.886 2.460 -12.331 1.00 0.00 H new ATOM 87 N TYR A 6 13.325 8.706 -6.657 1.00 0.00 N ATOM 88 CA TYR A 6 14.733 8.964 -6.236 1.00 0.00 C ATOM 89 C TYR A 6 15.084 8.075 -5.037 1.00 0.00 C ATOM 90 O TYR A 6 16.197 7.606 -4.902 1.00 0.00 O ATOM 91 CB TYR A 6 14.860 10.439 -5.839 1.00 0.00 C ATOM 92 CG TYR A 6 16.194 10.992 -6.288 1.00 0.00 C ATOM 93 CD1 TYR A 6 17.385 10.351 -5.923 1.00 0.00 C ATOM 94 CD2 TYR A 6 16.238 12.154 -7.068 1.00 0.00 C ATOM 95 CE1 TYR A 6 18.617 10.873 -6.339 1.00 0.00 C ATOM 96 CE2 TYR A 6 17.469 12.675 -7.483 1.00 0.00 C ATOM 97 CZ TYR A 6 18.659 12.035 -7.119 1.00 0.00 C ATOM 98 OH TYR A 6 19.872 12.550 -7.527 1.00 0.00 O ATOM 0 H TYR A 6 12.672 9.465 -6.461 1.00 0.00 H new ATOM 0 HA TYR A 6 15.415 8.738 -7.055 1.00 0.00 H new ATOM 0 HB2 TYR A 6 14.051 11.014 -6.288 1.00 0.00 H new ATOM 0 HB3 TYR A 6 14.762 10.541 -4.758 1.00 0.00 H new ATOM 0 HD1 TYR A 6 17.354 9.455 -5.321 1.00 0.00 H new ATOM 0 HD2 TYR A 6 15.320 12.649 -7.350 1.00 0.00 H new ATOM 0 HE1 TYR A 6 19.535 10.379 -6.058 1.00 0.00 H new ATOM 0 HE2 TYR A 6 17.500 13.571 -8.084 1.00 0.00 H new ATOM 0 HH TYR A 6 19.721 13.358 -8.061 1.00 0.00 H new ATOM 108 N LEU A 7 14.139 7.857 -4.162 1.00 0.00 N ATOM 109 CA LEU A 7 14.397 7.016 -2.953 1.00 0.00 C ATOM 110 C LEU A 7 14.846 5.603 -3.359 1.00 0.00 C ATOM 111 O LEU A 7 15.809 5.078 -2.831 1.00 0.00 O ATOM 112 CB LEU A 7 13.108 6.922 -2.122 1.00 0.00 C ATOM 113 CG LEU A 7 13.224 7.807 -0.877 1.00 0.00 C ATOM 114 CD1 LEU A 7 13.022 9.271 -1.269 1.00 0.00 C ATOM 115 CD2 LEU A 7 12.152 7.401 0.136 1.00 0.00 C ATOM 0 H LEU A 7 13.191 8.228 -4.232 1.00 0.00 H new ATOM 0 HA LEU A 7 15.191 7.477 -2.366 1.00 0.00 H new ATOM 0 HB2 LEU A 7 12.254 7.235 -2.723 1.00 0.00 H new ATOM 0 HB3 LEU A 7 12.929 5.888 -1.828 1.00 0.00 H new ATOM 0 HG LEU A 7 14.212 7.683 -0.434 1.00 0.00 H new ATOM 0 HD11 LEU A 7 13.105 9.900 -0.382 1.00 0.00 H new ATOM 0 HD12 LEU A 7 13.783 9.562 -1.993 1.00 0.00 H new ATOM 0 HD13 LEU A 7 12.034 9.396 -1.712 1.00 0.00 H new ATOM 0 HD21 LEU A 7 12.233 8.030 1.023 1.00 0.00 H new ATOM 0 HD22 LEU A 7 11.165 7.526 -0.309 1.00 0.00 H new ATOM 0 HD23 LEU A 7 12.293 6.357 0.417 1.00 0.00 H new ATOM 127 N SER A 8 14.143 4.978 -4.269 1.00 0.00 N ATOM 128 CA SER A 8 14.508 3.587 -4.688 1.00 0.00 C ATOM 129 C SER A 8 15.942 3.532 -5.230 1.00 0.00 C ATOM 130 O SER A 8 16.541 2.473 -5.287 1.00 0.00 O ATOM 131 CB SER A 8 13.542 3.114 -5.775 1.00 0.00 C ATOM 132 OG SER A 8 13.774 1.737 -6.040 1.00 0.00 O ATOM 0 H SER A 8 13.329 5.371 -4.742 1.00 0.00 H new ATOM 0 HA SER A 8 14.442 2.938 -3.815 1.00 0.00 H new ATOM 0 HB2 SER A 8 12.512 3.266 -5.454 1.00 0.00 H new ATOM 0 HB3 SER A 8 13.683 3.700 -6.683 1.00 0.00 H new ATOM 0 HG SER A 8 13.156 1.429 -6.735 1.00 0.00 H new ATOM 138 N ASP A 9 16.496 4.647 -5.637 1.00 0.00 N ATOM 139 CA ASP A 9 17.886 4.635 -6.184 1.00 0.00 C ATOM 140 C ASP A 9 18.902 4.568 -5.040 1.00 0.00 C ATOM 141 O ASP A 9 19.839 3.792 -5.080 1.00 0.00 O ATOM 142 CB ASP A 9 18.124 5.905 -7.007 1.00 0.00 C ATOM 143 CG ASP A 9 17.878 5.610 -8.489 1.00 0.00 C ATOM 144 OD1 ASP A 9 16.774 5.206 -8.818 1.00 0.00 O ATOM 145 OD2 ASP A 9 18.798 5.793 -9.270 1.00 0.00 O ATOM 0 H ASP A 9 16.047 5.562 -5.614 1.00 0.00 H new ATOM 0 HA ASP A 9 18.009 3.759 -6.820 1.00 0.00 H new ATOM 0 HB2 ASP A 9 17.459 6.700 -6.669 1.00 0.00 H new ATOM 0 HB3 ASP A 9 19.144 6.259 -6.861 1.00 0.00 H new ATOM 150 N ILE A 10 18.730 5.378 -4.026 1.00 0.00 N ATOM 151 CA ILE A 10 19.693 5.366 -2.884 1.00 0.00 C ATOM 152 C ILE A 10 19.526 4.082 -2.058 1.00 0.00 C ATOM 153 O ILE A 10 20.401 3.719 -1.297 1.00 0.00 O ATOM 154 CB ILE A 10 19.441 6.581 -1.984 1.00 0.00 C ATOM 155 CG1 ILE A 10 19.476 7.864 -2.823 1.00 0.00 C ATOM 156 CG2 ILE A 10 20.530 6.654 -0.910 1.00 0.00 C ATOM 157 CD1 ILE A 10 18.679 8.968 -2.119 1.00 0.00 C ATOM 0 H ILE A 10 17.965 6.047 -3.940 1.00 0.00 H new ATOM 0 HA ILE A 10 20.707 5.405 -3.282 1.00 0.00 H new ATOM 0 HB ILE A 10 18.463 6.481 -1.513 1.00 0.00 H new ATOM 0 HG12 ILE A 10 20.507 8.185 -2.970 1.00 0.00 H new ATOM 0 HG13 ILE A 10 19.057 7.674 -3.811 1.00 0.00 H new ATOM 0 HG21 ILE A 10 20.352 7.518 -0.269 1.00 0.00 H new ATOM 0 HG22 ILE A 10 20.509 5.745 -0.308 1.00 0.00 H new ATOM 0 HG23 ILE A 10 21.505 6.751 -1.387 1.00 0.00 H new ATOM 0 HD11 ILE A 10 18.708 9.877 -2.720 1.00 0.00 H new ATOM 0 HD12 ILE A 10 17.645 8.647 -1.995 1.00 0.00 H new ATOM 0 HD13 ILE A 10 19.117 9.166 -1.141 1.00 0.00 H new ATOM 169 N THR A 11 18.413 3.400 -2.189 1.00 0.00 N ATOM 170 CA THR A 11 18.201 2.151 -1.396 1.00 0.00 C ATOM 171 C THR A 11 18.892 0.971 -2.085 1.00 0.00 C ATOM 172 O THR A 11 19.494 0.137 -1.437 1.00 0.00 O ATOM 173 CB THR A 11 16.701 1.868 -1.282 1.00 0.00 C ATOM 174 OG1 THR A 11 15.989 3.098 -1.262 1.00 0.00 O ATOM 175 CG2 THR A 11 16.417 1.091 0.004 1.00 0.00 C ATOM 0 H THR A 11 17.645 3.655 -2.810 1.00 0.00 H new ATOM 0 HA THR A 11 18.626 2.283 -0.401 1.00 0.00 H new ATOM 0 HB THR A 11 16.380 1.274 -2.137 1.00 0.00 H new ATOM 0 HG1 THR A 11 15.871 3.423 -2.179 1.00 0.00 H new ATOM 0 HG21 THR A 11 15.348 0.892 0.080 1.00 0.00 H new ATOM 0 HG22 THR A 11 16.961 0.147 -0.014 1.00 0.00 H new ATOM 0 HG23 THR A 11 16.739 1.679 0.863 1.00 0.00 H new ATOM 183 N ASP A 12 18.806 0.893 -3.389 1.00 0.00 N ATOM 184 CA ASP A 12 19.453 -0.238 -4.120 1.00 0.00 C ATOM 185 C ASP A 12 20.974 -0.089 -4.057 1.00 0.00 C ATOM 186 O ASP A 12 21.702 -1.064 -4.073 1.00 0.00 O ATOM 187 CB ASP A 12 19.004 -0.224 -5.584 1.00 0.00 C ATOM 188 CG ASP A 12 17.770 -1.113 -5.750 1.00 0.00 C ATOM 189 OD1 ASP A 12 17.937 -2.321 -5.800 1.00 0.00 O ATOM 190 OD2 ASP A 12 16.680 -0.571 -5.828 1.00 0.00 O ATOM 0 H ASP A 12 18.315 1.565 -3.979 1.00 0.00 H new ATOM 0 HA ASP A 12 19.161 -1.180 -3.656 1.00 0.00 H new ATOM 0 HB2 ASP A 12 18.775 0.795 -5.895 1.00 0.00 H new ATOM 0 HB3 ASP A 12 19.810 -0.580 -6.226 1.00 0.00 H new ATOM 195 N VAL A 13 21.455 1.125 -3.990 1.00 0.00 N ATOM 196 CA VAL A 13 22.929 1.351 -3.932 1.00 0.00 C ATOM 197 C VAL A 13 23.451 0.998 -2.536 1.00 0.00 C ATOM 198 O VAL A 13 24.538 0.477 -2.390 1.00 0.00 O ATOM 199 CB VAL A 13 23.234 2.818 -4.238 1.00 0.00 C ATOM 200 CG1 VAL A 13 24.750 3.031 -4.299 1.00 0.00 C ATOM 201 CG2 VAL A 13 22.614 3.205 -5.585 1.00 0.00 C ATOM 0 H VAL A 13 20.888 1.973 -3.973 1.00 0.00 H new ATOM 0 HA VAL A 13 23.420 0.717 -4.670 1.00 0.00 H new ATOM 0 HB VAL A 13 22.811 3.441 -3.450 1.00 0.00 H new ATOM 0 HG11 VAL A 13 24.962 4.078 -4.517 1.00 0.00 H new ATOM 0 HG12 VAL A 13 25.194 2.763 -3.340 1.00 0.00 H new ATOM 0 HG13 VAL A 13 25.174 2.404 -5.083 1.00 0.00 H new ATOM 0 HG21 VAL A 13 22.833 4.251 -5.799 1.00 0.00 H new ATOM 0 HG22 VAL A 13 23.033 2.578 -6.372 1.00 0.00 H new ATOM 0 HG23 VAL A 13 21.534 3.062 -5.543 1.00 0.00 H new ATOM 211 N ILE A 14 22.686 1.286 -1.514 1.00 0.00 N ATOM 212 CA ILE A 14 23.132 0.980 -0.121 1.00 0.00 C ATOM 213 C ILE A 14 22.966 -0.520 0.169 1.00 0.00 C ATOM 214 O ILE A 14 23.652 -1.071 1.009 1.00 0.00 O ATOM 215 CB ILE A 14 22.289 1.804 0.864 1.00 0.00 C ATOM 216 CG1 ILE A 14 22.517 3.291 0.594 1.00 0.00 C ATOM 217 CG2 ILE A 14 22.698 1.491 2.307 1.00 0.00 C ATOM 218 CD1 ILE A 14 21.449 4.110 1.321 1.00 0.00 C ATOM 0 H ILE A 14 21.767 1.722 -1.585 1.00 0.00 H new ATOM 0 HA ILE A 14 24.185 1.239 -0.008 1.00 0.00 H new ATOM 0 HB ILE A 14 21.237 1.551 0.729 1.00 0.00 H new ATOM 0 HG12 ILE A 14 23.510 3.585 0.934 1.00 0.00 H new ATOM 0 HG13 ILE A 14 22.475 3.488 -0.477 1.00 0.00 H new ATOM 0 HG21 ILE A 14 22.092 2.082 2.993 1.00 0.00 H new ATOM 0 HG22 ILE A 14 22.543 0.431 2.507 1.00 0.00 H new ATOM 0 HG23 ILE A 14 23.750 1.737 2.448 1.00 0.00 H new ATOM 0 HD11 ILE A 14 21.611 5.171 1.129 1.00 0.00 H new ATOM 0 HD12 ILE A 14 20.462 3.822 0.960 1.00 0.00 H new ATOM 0 HD13 ILE A 14 21.513 3.921 2.393 1.00 0.00 H new ATOM 230 N PHE A 15 22.069 -1.179 -0.517 1.00 0.00 N ATOM 231 CA PHE A 15 21.860 -2.634 -0.285 1.00 0.00 C ATOM 232 C PHE A 15 23.095 -3.396 -0.781 1.00 0.00 C ATOM 233 O PHE A 15 23.756 -4.101 -0.034 1.00 0.00 O ATOM 234 CB PHE A 15 20.618 -3.068 -1.068 1.00 0.00 C ATOM 235 CG PHE A 15 19.747 -3.966 -0.222 1.00 0.00 C ATOM 236 CD1 PHE A 15 19.948 -5.351 -0.227 1.00 0.00 C ATOM 237 CD2 PHE A 15 18.728 -3.411 0.562 1.00 0.00 C ATOM 238 CE1 PHE A 15 19.132 -6.180 0.553 1.00 0.00 C ATOM 239 CE2 PHE A 15 17.911 -4.239 1.340 1.00 0.00 C ATOM 240 CZ PHE A 15 18.113 -5.624 1.336 1.00 0.00 C ATOM 0 H PHE A 15 21.470 -0.767 -1.232 1.00 0.00 H new ATOM 0 HA PHE A 15 21.716 -2.845 0.775 1.00 0.00 H new ATOM 0 HB2 PHE A 15 20.052 -2.190 -1.379 1.00 0.00 H new ATOM 0 HB3 PHE A 15 20.918 -3.592 -1.976 1.00 0.00 H new ATOM 0 HD1 PHE A 15 20.732 -5.781 -0.832 1.00 0.00 H new ATOM 0 HD2 PHE A 15 18.572 -2.342 0.566 1.00 0.00 H new ATOM 0 HE1 PHE A 15 19.289 -7.249 0.551 1.00 0.00 H new ATOM 0 HE2 PHE A 15 17.125 -3.809 1.943 1.00 0.00 H new ATOM 0 HZ PHE A 15 17.483 -6.264 1.937 1.00 0.00 H new ATOM 250 N ILE A 16 23.414 -3.243 -2.039 1.00 0.00 N ATOM 251 CA ILE A 16 24.605 -3.932 -2.612 1.00 0.00 C ATOM 252 C ILE A 16 25.885 -3.396 -1.952 1.00 0.00 C ATOM 253 O ILE A 16 26.912 -4.043 -1.985 1.00 0.00 O ATOM 254 CB ILE A 16 24.655 -3.672 -4.123 1.00 0.00 C ATOM 255 CG1 ILE A 16 23.348 -4.159 -4.773 1.00 0.00 C ATOM 256 CG2 ILE A 16 25.853 -4.404 -4.746 1.00 0.00 C ATOM 257 CD1 ILE A 16 23.187 -5.672 -4.581 1.00 0.00 C ATOM 0 H ILE A 16 22.895 -2.664 -2.699 1.00 0.00 H new ATOM 0 HA ILE A 16 24.532 -5.003 -2.425 1.00 0.00 H new ATOM 0 HB ILE A 16 24.768 -2.602 -4.297 1.00 0.00 H new ATOM 0 HG12 ILE A 16 22.499 -3.638 -4.332 1.00 0.00 H new ATOM 0 HG13 ILE A 16 23.352 -3.919 -5.836 1.00 0.00 H new ATOM 0 HG21 ILE A 16 25.879 -4.212 -5.819 1.00 0.00 H new ATOM 0 HG22 ILE A 16 26.776 -4.044 -4.291 1.00 0.00 H new ATOM 0 HG23 ILE A 16 25.756 -5.475 -4.571 1.00 0.00 H new ATOM 0 HD11 ILE A 16 22.258 -6.001 -5.046 1.00 0.00 H new ATOM 0 HD12 ILE A 16 24.028 -6.189 -5.044 1.00 0.00 H new ATOM 0 HD13 ILE A 16 23.161 -5.903 -3.516 1.00 0.00 H new ATOM 269 N TYR A 17 25.839 -2.223 -1.360 1.00 0.00 N ATOM 270 CA TYR A 17 27.067 -1.669 -0.711 1.00 0.00 C ATOM 271 C TYR A 17 27.474 -2.568 0.456 1.00 0.00 C ATOM 272 O TYR A 17 28.609 -2.989 0.554 1.00 0.00 O ATOM 273 CB TYR A 17 26.801 -0.254 -0.190 1.00 0.00 C ATOM 274 CG TYR A 17 28.067 0.561 -0.307 1.00 0.00 C ATOM 275 CD1 TYR A 17 28.391 1.179 -1.520 1.00 0.00 C ATOM 276 CD2 TYR A 17 28.920 0.692 0.796 1.00 0.00 C ATOM 277 CE1 TYR A 17 29.568 1.928 -1.632 1.00 0.00 C ATOM 278 CE2 TYR A 17 30.098 1.440 0.684 1.00 0.00 C ATOM 279 CZ TYR A 17 30.421 2.059 -0.529 1.00 0.00 C ATOM 280 OH TYR A 17 31.583 2.796 -0.640 1.00 0.00 O ATOM 0 H TYR A 17 25.010 -1.632 -1.300 1.00 0.00 H new ATOM 0 HA TYR A 17 27.869 -1.631 -1.448 1.00 0.00 H new ATOM 0 HB2 TYR A 17 25.999 0.213 -0.762 1.00 0.00 H new ATOM 0 HB3 TYR A 17 26.472 -0.291 0.849 1.00 0.00 H new ATOM 0 HD1 TYR A 17 27.733 1.078 -2.370 1.00 0.00 H new ATOM 0 HD2 TYR A 17 28.669 0.216 1.733 1.00 0.00 H new ATOM 0 HE1 TYR A 17 29.818 2.405 -2.568 1.00 0.00 H new ATOM 0 HE2 TYR A 17 30.757 1.539 1.533 1.00 0.00 H new ATOM 0 HH TYR A 17 32.059 2.787 0.217 1.00 0.00 H new ATOM 290 N PHE A 18 26.554 -2.868 1.339 1.00 0.00 N ATOM 291 CA PHE A 18 26.881 -3.748 2.504 1.00 0.00 C ATOM 292 C PHE A 18 27.348 -5.115 1.993 1.00 0.00 C ATOM 293 O PHE A 18 28.156 -5.780 2.612 1.00 0.00 O ATOM 294 CB PHE A 18 25.629 -3.933 3.362 1.00 0.00 C ATOM 295 CG PHE A 18 25.505 -2.787 4.340 1.00 0.00 C ATOM 296 CD1 PHE A 18 26.485 -2.589 5.321 1.00 0.00 C ATOM 297 CD2 PHE A 18 24.406 -1.922 4.265 1.00 0.00 C ATOM 298 CE1 PHE A 18 26.364 -1.526 6.226 1.00 0.00 C ATOM 299 CE2 PHE A 18 24.286 -0.861 5.170 1.00 0.00 C ATOM 300 CZ PHE A 18 25.265 -0.662 6.150 1.00 0.00 C ATOM 0 H PHE A 18 25.589 -2.541 1.303 1.00 0.00 H new ATOM 0 HA PHE A 18 27.671 -3.290 3.098 1.00 0.00 H new ATOM 0 HB2 PHE A 18 24.745 -3.978 2.726 1.00 0.00 H new ATOM 0 HB3 PHE A 18 25.683 -4.879 3.901 1.00 0.00 H new ATOM 0 HD1 PHE A 18 27.333 -3.255 5.380 1.00 0.00 H new ATOM 0 HD2 PHE A 18 23.651 -2.074 3.508 1.00 0.00 H new ATOM 0 HE1 PHE A 18 27.119 -1.373 6.983 1.00 0.00 H new ATOM 0 HE2 PHE A 18 23.437 -0.196 5.112 1.00 0.00 H new ATOM 0 HZ PHE A 18 25.173 0.158 6.847 1.00 0.00 H new ATOM 310 N ALA A 19 26.830 -5.535 0.869 1.00 0.00 N ATOM 311 CA ALA A 19 27.215 -6.860 0.293 1.00 0.00 C ATOM 312 C ALA A 19 28.715 -6.893 -0.044 1.00 0.00 C ATOM 313 O ALA A 19 29.454 -7.725 0.446 1.00 0.00 O ATOM 314 CB ALA A 19 26.406 -7.088 -0.986 1.00 0.00 C ATOM 0 H ALA A 19 26.149 -5.012 0.319 1.00 0.00 H new ATOM 0 HA ALA A 19 27.008 -7.642 1.024 1.00 0.00 H new ATOM 0 HB1 ALA A 19 26.675 -8.051 -1.420 1.00 0.00 H new ATOM 0 HB2 ALA A 19 25.342 -7.081 -0.750 1.00 0.00 H new ATOM 0 HB3 ALA A 19 26.624 -6.295 -1.701 1.00 0.00 H new ATOM 320 N ALA A 20 29.156 -6.008 -0.895 1.00 0.00 N ATOM 321 CA ALA A 20 30.596 -5.977 -1.307 1.00 0.00 C ATOM 322 C ALA A 20 31.513 -5.770 -0.101 1.00 0.00 C ATOM 323 O ALA A 20 32.515 -6.440 0.054 1.00 0.00 O ATOM 324 CB ALA A 20 30.803 -4.812 -2.269 1.00 0.00 C ATOM 0 H ALA A 20 28.574 -5.293 -1.331 1.00 0.00 H new ATOM 0 HA ALA A 20 30.841 -6.930 -1.776 1.00 0.00 H new ATOM 0 HB1 ALA A 20 31.848 -4.776 -2.578 1.00 0.00 H new ATOM 0 HB2 ALA A 20 30.170 -4.947 -3.146 1.00 0.00 H new ATOM 0 HB3 ALA A 20 30.540 -3.878 -1.772 1.00 0.00 H new ATOM 330 N LEU A 21 31.195 -4.814 0.716 1.00 0.00 N ATOM 331 CA LEU A 21 32.049 -4.498 1.904 1.00 0.00 C ATOM 332 C LEU A 21 31.832 -5.509 3.046 1.00 0.00 C ATOM 333 O LEU A 21 32.550 -5.494 4.025 1.00 0.00 O ATOM 334 CB LEU A 21 31.690 -3.091 2.401 1.00 0.00 C ATOM 335 CG LEU A 21 32.753 -2.071 1.959 1.00 0.00 C ATOM 336 CD1 LEU A 21 34.104 -2.419 2.593 1.00 0.00 C ATOM 337 CD2 LEU A 21 32.887 -2.077 0.431 1.00 0.00 C ATOM 0 H LEU A 21 30.369 -4.225 0.616 1.00 0.00 H new ATOM 0 HA LEU A 21 33.095 -4.553 1.604 1.00 0.00 H new ATOM 0 HB2 LEU A 21 30.715 -2.800 2.011 1.00 0.00 H new ATOM 0 HB3 LEU A 21 31.611 -3.093 3.488 1.00 0.00 H new ATOM 0 HG LEU A 21 32.444 -1.078 2.287 1.00 0.00 H new ATOM 0 HD11 LEU A 21 34.853 -1.693 2.276 1.00 0.00 H new ATOM 0 HD12 LEU A 21 34.013 -2.396 3.679 1.00 0.00 H new ATOM 0 HD13 LEU A 21 34.409 -3.416 2.276 1.00 0.00 H new ATOM 0 HD21 LEU A 21 33.642 -1.351 0.129 1.00 0.00 H new ATOM 0 HD22 LEU A 21 33.184 -3.071 0.096 1.00 0.00 H new ATOM 0 HD23 LEU A 21 31.930 -1.813 -0.019 1.00 0.00 H new ATOM 349 N SER A 22 30.851 -6.370 2.948 1.00 0.00 N ATOM 350 CA SER A 22 30.594 -7.360 4.051 1.00 0.00 C ATOM 351 C SER A 22 31.887 -8.130 4.421 1.00 0.00 C ATOM 352 O SER A 22 32.294 -8.108 5.565 1.00 0.00 O ATOM 353 CB SER A 22 29.492 -8.335 3.610 1.00 0.00 C ATOM 354 OG SER A 22 29.630 -9.575 4.296 1.00 0.00 O ATOM 0 H SER A 22 30.214 -6.434 2.154 1.00 0.00 H new ATOM 0 HA SER A 22 30.267 -6.821 4.940 1.00 0.00 H new ATOM 0 HB2 SER A 22 28.512 -7.905 3.815 1.00 0.00 H new ATOM 0 HB3 SER A 22 29.550 -8.498 2.534 1.00 0.00 H new ATOM 0 HG SER A 22 28.922 -10.188 4.009 1.00 0.00 H new ATOM 360 N PRO A 23 32.497 -8.787 3.457 1.00 0.00 N ATOM 361 CA PRO A 23 33.765 -9.593 3.626 1.00 0.00 C ATOM 362 C PRO A 23 34.958 -8.670 3.840 1.00 0.00 C ATOM 363 O PRO A 23 35.695 -8.787 4.799 1.00 0.00 O ATOM 364 CB PRO A 23 33.945 -10.369 2.334 1.00 0.00 C ATOM 365 CG PRO A 23 33.184 -9.616 1.275 1.00 0.00 C ATOM 366 CD PRO A 23 32.076 -8.870 2.006 1.00 0.00 C ATOM 0 HA PRO A 23 33.699 -10.253 4.491 1.00 0.00 H new ATOM 0 HB2 PRO A 23 35.000 -10.447 2.072 1.00 0.00 H new ATOM 0 HB3 PRO A 23 33.566 -11.386 2.436 1.00 0.00 H new ATOM 0 HG2 PRO A 23 33.837 -8.923 0.744 1.00 0.00 H new ATOM 0 HG3 PRO A 23 32.771 -10.298 0.532 1.00 0.00 H new ATOM 0 HD2 PRO A 23 31.936 -7.874 1.585 1.00 0.00 H new ATOM 0 HD3 PRO A 23 31.125 -9.394 1.907 1.00 0.00 H new ATOM 374 N ALA A 24 35.152 -7.761 2.931 1.00 0.00 N ATOM 375 CA ALA A 24 36.301 -6.798 3.021 1.00 0.00 C ATOM 376 C ALA A 24 36.384 -6.163 4.421 1.00 0.00 C ATOM 377 O ALA A 24 37.443 -5.756 4.859 1.00 0.00 O ATOM 378 CB ALA A 24 36.107 -5.695 1.980 1.00 0.00 C ATOM 0 H ALA A 24 34.557 -7.636 2.112 1.00 0.00 H new ATOM 0 HA ALA A 24 37.227 -7.342 2.835 1.00 0.00 H new ATOM 0 HB1 ALA A 24 36.937 -4.990 2.038 1.00 0.00 H new ATOM 0 HB2 ALA A 24 36.074 -6.136 0.984 1.00 0.00 H new ATOM 0 HB3 ALA A 24 35.172 -5.171 2.175 1.00 0.00 H new ATOM 384 N ILE A 25 35.279 -6.077 5.118 1.00 0.00 N ATOM 385 CA ILE A 25 35.290 -5.470 6.484 1.00 0.00 C ATOM 386 C ILE A 25 35.562 -6.566 7.530 1.00 0.00 C ATOM 387 O ILE A 25 36.207 -6.323 8.532 1.00 0.00 O ATOM 388 CB ILE A 25 33.930 -4.791 6.753 1.00 0.00 C ATOM 389 CG1 ILE A 25 33.774 -3.575 5.823 1.00 0.00 C ATOM 390 CG2 ILE A 25 33.829 -4.325 8.217 1.00 0.00 C ATOM 391 CD1 ILE A 25 34.870 -2.538 6.102 1.00 0.00 C ATOM 0 H ILE A 25 34.367 -6.402 4.799 1.00 0.00 H new ATOM 0 HA ILE A 25 36.078 -4.719 6.550 1.00 0.00 H new ATOM 0 HB ILE A 25 33.138 -5.515 6.562 1.00 0.00 H new ATOM 0 HG12 ILE A 25 33.826 -3.897 4.783 1.00 0.00 H new ATOM 0 HG13 ILE A 25 32.793 -3.123 5.968 1.00 0.00 H new ATOM 0 HG21 ILE A 25 32.862 -3.850 8.382 1.00 0.00 H new ATOM 0 HG22 ILE A 25 33.929 -5.184 8.880 1.00 0.00 H new ATOM 0 HG23 ILE A 25 34.625 -3.610 8.427 1.00 0.00 H new ATOM 0 HD11 ILE A 25 34.743 -1.686 5.435 1.00 0.00 H new ATOM 0 HD12 ILE A 25 34.799 -2.203 7.137 1.00 0.00 H new ATOM 0 HD13 ILE A 25 35.848 -2.988 5.933 1.00 0.00 H new ATOM 403 N THR A 26 35.070 -7.761 7.309 1.00 0.00 N ATOM 404 CA THR A 26 35.296 -8.866 8.294 1.00 0.00 C ATOM 405 C THR A 26 36.799 -9.091 8.498 1.00 0.00 C ATOM 406 O THR A 26 37.287 -9.085 9.613 1.00 0.00 O ATOM 407 CB THR A 26 34.656 -10.159 7.777 1.00 0.00 C ATOM 408 OG1 THR A 26 33.308 -9.904 7.406 1.00 0.00 O ATOM 409 CG2 THR A 26 34.690 -11.229 8.874 1.00 0.00 C ATOM 0 H THR A 26 34.521 -8.019 6.489 1.00 0.00 H new ATOM 0 HA THR A 26 34.842 -8.587 9.245 1.00 0.00 H new ATOM 0 HB THR A 26 35.213 -10.515 6.910 1.00 0.00 H new ATOM 0 HG1 THR A 26 33.290 -9.323 6.617 1.00 0.00 H new ATOM 0 HG21 THR A 26 34.234 -12.146 8.502 1.00 0.00 H new ATOM 0 HG22 THR A 26 35.724 -11.427 9.157 1.00 0.00 H new ATOM 0 HG23 THR A 26 34.137 -10.876 9.744 1.00 0.00 H new ATOM 417 N PHE A 27 37.531 -9.292 7.432 1.00 0.00 N ATOM 418 CA PHE A 27 39.001 -9.520 7.561 1.00 0.00 C ATOM 419 C PHE A 27 39.708 -8.192 7.835 1.00 0.00 C ATOM 420 O PHE A 27 40.152 -7.933 8.937 1.00 0.00 O ATOM 421 CB PHE A 27 39.542 -10.127 6.265 1.00 0.00 C ATOM 422 CG PHE A 27 39.430 -11.631 6.330 1.00 0.00 C ATOM 423 CD1 PHE A 27 38.249 -12.262 5.921 1.00 0.00 C ATOM 424 CD2 PHE A 27 40.505 -12.394 6.801 1.00 0.00 C ATOM 425 CE1 PHE A 27 38.143 -13.656 5.984 1.00 0.00 C ATOM 426 CE2 PHE A 27 40.399 -13.788 6.863 1.00 0.00 C ATOM 427 CZ PHE A 27 39.218 -14.419 6.454 1.00 0.00 C ATOM 0 H PHE A 27 37.173 -9.308 6.477 1.00 0.00 H new ATOM 0 HA PHE A 27 39.186 -10.205 8.388 1.00 0.00 H new ATOM 0 HB2 PHE A 27 38.982 -9.746 5.411 1.00 0.00 H new ATOM 0 HB3 PHE A 27 40.582 -9.835 6.120 1.00 0.00 H new ATOM 0 HD1 PHE A 27 37.420 -11.673 5.557 1.00 0.00 H new ATOM 0 HD2 PHE A 27 41.416 -11.907 7.116 1.00 0.00 H new ATOM 0 HE1 PHE A 27 37.232 -14.143 5.670 1.00 0.00 H new ATOM 0 HE2 PHE A 27 41.228 -14.377 7.226 1.00 0.00 H new ATOM 0 HZ PHE A 27 39.137 -15.495 6.501 1.00 0.00 H new ATOM 437 N GLY A 28 39.817 -7.351 6.838 1.00 0.00 N ATOM 438 CA GLY A 28 40.497 -6.038 7.030 1.00 0.00 C ATOM 439 C GLY A 28 41.971 -6.167 6.641 1.00 0.00 C ATOM 440 O GLY A 28 42.299 -6.388 5.489 1.00 0.00 O ATOM 0 H GLY A 28 39.462 -7.520 5.897 1.00 0.00 H new ATOM 0 HA2 GLY A 28 40.014 -5.274 6.421 1.00 0.00 H new ATOM 0 HA3 GLY A 28 40.410 -5.720 8.069 1.00 0.00 H new ATOM 444 N GLY A 29 42.862 -6.034 7.592 1.00 0.00 N ATOM 445 CA GLY A 29 44.318 -6.150 7.281 1.00 0.00 C ATOM 446 C GLY A 29 45.141 -5.611 8.453 1.00 0.00 C ATOM 447 O GLY A 29 45.791 -4.589 8.344 1.00 0.00 O ATOM 0 H GLY A 29 42.643 -5.850 8.571 1.00 0.00 H new ATOM 0 HA2 GLY A 29 44.577 -7.192 7.091 1.00 0.00 H new ATOM 0 HA3 GLY A 29 44.551 -5.593 6.374 1.00 0.00 H new ATOM 451 N LEU A 30 45.120 -6.293 9.570 1.00 0.00 N ATOM 452 CA LEU A 30 45.902 -5.824 10.751 1.00 0.00 C ATOM 453 C LEU A 30 47.398 -5.991 10.470 1.00 0.00 C ATOM 454 O LEU A 30 48.216 -5.234 10.957 1.00 0.00 O ATOM 455 CB LEU A 30 45.512 -6.647 11.983 1.00 0.00 C ATOM 456 CG LEU A 30 44.437 -5.896 12.792 1.00 0.00 C ATOM 457 CD1 LEU A 30 43.143 -6.715 12.821 1.00 0.00 C ATOM 458 CD2 LEU A 30 44.927 -5.678 14.227 1.00 0.00 C ATOM 0 H LEU A 30 44.594 -7.155 9.714 1.00 0.00 H new ATOM 0 HA LEU A 30 45.685 -4.772 10.938 1.00 0.00 H new ATOM 0 HB2 LEU A 30 45.134 -7.622 11.676 1.00 0.00 H new ATOM 0 HB3 LEU A 30 46.389 -6.826 12.605 1.00 0.00 H new ATOM 0 HG LEU A 30 44.248 -4.932 12.320 1.00 0.00 H new ATOM 0 HD11 LEU A 30 42.386 -6.179 13.394 1.00 0.00 H new ATOM 0 HD12 LEU A 30 42.786 -6.868 11.802 1.00 0.00 H new ATOM 0 HD13 LEU A 30 43.335 -7.682 13.287 1.00 0.00 H new ATOM 0 HD21 LEU A 30 44.164 -5.147 14.795 1.00 0.00 H new ATOM 0 HD22 LEU A 30 45.122 -6.643 14.695 1.00 0.00 H new ATOM 0 HD23 LEU A 30 45.844 -5.089 14.213 1.00 0.00 H new ATOM 470 N LEU A 31 47.757 -6.975 9.684 1.00 0.00 N ATOM 471 CA LEU A 31 49.198 -7.196 9.361 1.00 0.00 C ATOM 472 C LEU A 31 49.711 -6.027 8.517 1.00 0.00 C ATOM 473 O LEU A 31 50.750 -5.457 8.795 1.00 0.00 O ATOM 474 CB LEU A 31 49.347 -8.502 8.567 1.00 0.00 C ATOM 475 CG LEU A 31 49.589 -9.687 9.515 1.00 0.00 C ATOM 476 CD1 LEU A 31 50.885 -9.470 10.301 1.00 0.00 C ATOM 477 CD2 LEU A 31 48.415 -9.823 10.492 1.00 0.00 C ATOM 0 H LEU A 31 47.112 -7.636 9.251 1.00 0.00 H new ATOM 0 HA LEU A 31 49.775 -7.262 10.284 1.00 0.00 H new ATOM 0 HB2 LEU A 31 48.448 -8.679 7.977 1.00 0.00 H new ATOM 0 HB3 LEU A 31 50.177 -8.415 7.866 1.00 0.00 H new ATOM 0 HG LEU A 31 49.674 -10.599 8.924 1.00 0.00 H new ATOM 0 HD11 LEU A 31 51.050 -10.314 10.971 1.00 0.00 H new ATOM 0 HD12 LEU A 31 51.722 -9.388 9.607 1.00 0.00 H new ATOM 0 HD13 LEU A 31 50.807 -8.553 10.885 1.00 0.00 H new ATOM 0 HD21 LEU A 31 48.594 -10.665 11.161 1.00 0.00 H new ATOM 0 HD22 LEU A 31 48.321 -8.908 11.077 1.00 0.00 H new ATOM 0 HD23 LEU A 31 47.495 -9.992 9.933 1.00 0.00 H new ATOM 489 N GLY A 32 48.987 -5.669 7.487 1.00 0.00 N ATOM 490 CA GLY A 32 49.416 -4.537 6.613 1.00 0.00 C ATOM 491 C GLY A 32 48.257 -4.136 5.698 1.00 0.00 C ATOM 492 O GLY A 32 48.098 -4.669 4.616 1.00 0.00 O ATOM 0 H GLY A 32 48.112 -6.116 7.213 1.00 0.00 H new ATOM 0 HA2 GLY A 32 49.723 -3.688 7.223 1.00 0.00 H new ATOM 0 HA3 GLY A 32 50.280 -4.830 6.017 1.00 0.00 H new ATOM 496 N GLU A 33 47.444 -3.203 6.129 1.00 0.00 N ATOM 497 CA GLU A 33 46.288 -2.764 5.294 1.00 0.00 C ATOM 498 C GLU A 33 46.715 -1.610 4.385 1.00 0.00 C ATOM 499 O GLU A 33 46.573 -1.676 3.178 1.00 0.00 O ATOM 500 CB GLU A 33 45.150 -2.296 6.203 1.00 0.00 C ATOM 501 CG GLU A 33 43.807 -2.642 5.558 1.00 0.00 C ATOM 502 CD GLU A 33 42.714 -1.750 6.150 1.00 0.00 C ATOM 503 OE1 GLU A 33 42.718 -0.566 5.856 1.00 0.00 O ATOM 504 OE2 GLU A 33 41.891 -2.266 6.888 1.00 0.00 O ATOM 0 H GLU A 33 47.533 -2.726 7.026 1.00 0.00 H new ATOM 0 HA GLU A 33 45.949 -3.601 4.683 1.00 0.00 H new ATOM 0 HB2 GLU A 33 45.230 -2.774 7.179 1.00 0.00 H new ATOM 0 HB3 GLU A 33 45.220 -1.221 6.367 1.00 0.00 H new ATOM 0 HG2 GLU A 33 43.862 -2.500 4.479 1.00 0.00 H new ATOM 0 HG3 GLU A 33 43.568 -3.691 5.730 1.00 0.00 H new ATOM 511 N LYS A 34 47.227 -0.550 4.959 1.00 0.00 N ATOM 512 CA LYS A 34 47.657 0.616 4.138 1.00 0.00 C ATOM 513 C LYS A 34 49.147 0.880 4.362 1.00 0.00 C ATOM 514 O LYS A 34 49.676 0.387 5.345 1.00 0.00 O ATOM 515 CB LYS A 34 46.849 1.851 4.547 1.00 0.00 C ATOM 516 CG LYS A 34 46.794 2.841 3.379 1.00 0.00 C ATOM 517 CD LYS A 34 46.819 4.281 3.914 1.00 0.00 C ATOM 518 CE LYS A 34 45.698 5.097 3.264 1.00 0.00 C ATOM 519 NZ LYS A 34 44.449 4.949 4.063 1.00 0.00 N ATOM 520 OXT LYS A 34 49.734 1.574 3.548 1.00 0.00 O ATOM 0 H LYS A 34 47.365 -0.445 5.964 1.00 0.00 H new ATOM 0 HA LYS A 34 47.485 0.402 3.083 1.00 0.00 H new ATOM 0 HB2 LYS A 34 45.840 1.558 4.836 1.00 0.00 H new ATOM 0 HB3 LYS A 34 47.305 2.324 5.417 1.00 0.00 H new ATOM 0 HG2 LYS A 34 47.640 2.677 2.711 1.00 0.00 H new ATOM 0 HG3 LYS A 34 45.889 2.677 2.794 1.00 0.00 H new ATOM 0 HD2 LYS A 34 46.698 4.278 4.997 1.00 0.00 H new ATOM 0 HD3 LYS A 34 47.785 4.740 3.703 1.00 0.00 H new ATOM 0 HE2 LYS A 34 45.984 6.147 3.207 1.00 0.00 H new ATOM 0 HE3 LYS A 34 45.531 4.756 2.242 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 43.687 5.503 3.622 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 44.174 3.946 4.095 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 44.613 5.294 5.030 1.00 0.00 H new TER 534 LYS A 34