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= 0.0332 USER MOD Single : A 11 THR OG1 : rot 180:sc= 0.00282 USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 SER OG : rot 118:sc= 0.126 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 7.632 6.007 -14.329 1.00 0.00 C HETATM 2 O ACE A 1 7.711 5.726 -15.511 1.00 0.00 O HETATM 3 CH3 ACE A 1 6.288 5.978 -13.598 1.00 0.00 C HETATM 0 H1 ACE A 1 6.335 5.262 -12.778 1.00 0.00 H new HETATM 0 H2 ACE A 1 6.068 6.969 -13.202 1.00 0.00 H new HETATM 0 H3 ACE A 1 5.502 5.682 -14.293 1.00 0.00 H new ATOM 7 N ARG A 2 8.689 6.341 -13.632 1.00 0.00 N ATOM 8 CA ARG A 2 10.032 6.388 -14.274 1.00 0.00 C ATOM 9 C ARG A 2 11.030 5.604 -13.424 1.00 0.00 C ATOM 10 O ARG A 2 11.574 4.605 -13.854 1.00 0.00 O ATOM 11 CB ARG A 2 10.492 7.842 -14.398 1.00 0.00 C ATOM 12 CG ARG A 2 9.454 8.642 -15.189 1.00 0.00 C ATOM 13 CD ARG A 2 9.622 8.361 -16.684 1.00 0.00 C ATOM 14 NE ARG A 2 8.469 8.938 -17.431 1.00 0.00 N ATOM 15 CZ ARG A 2 7.642 8.150 -18.063 1.00 0.00 C ATOM 16 NH1 ARG A 2 7.955 7.684 -19.241 1.00 0.00 N ATOM 17 NH2 ARG A 2 6.500 7.830 -17.518 1.00 0.00 N ATOM 0 H ARG A 2 8.676 6.584 -12.641 1.00 0.00 H new ATOM 0 HA ARG A 2 9.975 5.944 -15.268 1.00 0.00 H new ATOM 0 HB2 ARG A 2 10.625 8.278 -13.408 1.00 0.00 H new ATOM 0 HB3 ARG A 2 11.459 7.887 -14.898 1.00 0.00 H new ATOM 0 HG2 ARG A 2 8.448 8.370 -14.868 1.00 0.00 H new ATOM 0 HG3 ARG A 2 9.574 9.707 -14.993 1.00 0.00 H new ATOM 0 HD2 ARG A 2 10.555 8.794 -17.044 1.00 0.00 H new ATOM 0 HD3 ARG A 2 9.681 7.287 -16.859 1.00 0.00 H new ATOM 0 HE ARG A 2 8.326 9.948 -17.449 1.00 0.00 H new ATOM 0 HH11 ARG A 2 8.846 7.935 -19.669 1.00 0.00 H new ATOM 0 HH12 ARG A 2 7.308 7.068 -19.734 1.00 0.00 H new ATOM 0 HH21 ARG A 2 6.254 8.196 -16.598 1.00 0.00 H new ATOM 0 HH22 ARG A 2 5.854 7.214 -18.012 1.00 0.00 H new ATOM 31 N TYR A 3 11.268 6.050 -12.219 1.00 0.00 N ATOM 32 CA TYR A 3 12.226 5.336 -11.327 1.00 0.00 C ATOM 33 C TYR A 3 11.684 5.322 -9.887 1.00 0.00 C ATOM 34 O TYR A 3 12.255 5.935 -9.006 1.00 0.00 O ATOM 35 CB TYR A 3 13.582 6.043 -11.369 1.00 0.00 C ATOM 36 CG TYR A 3 14.217 5.820 -12.719 1.00 0.00 C ATOM 37 CD1 TYR A 3 13.845 6.619 -13.806 1.00 0.00 C ATOM 38 CD2 TYR A 3 15.177 4.815 -12.882 1.00 0.00 C ATOM 39 CE1 TYR A 3 14.434 6.412 -15.059 1.00 0.00 C ATOM 40 CE2 TYR A 3 15.766 4.608 -14.135 1.00 0.00 C ATOM 41 CZ TYR A 3 15.395 5.407 -15.223 1.00 0.00 C ATOM 42 OH TYR A 3 15.975 5.203 -16.458 1.00 0.00 O ATOM 0 H TYR A 3 10.838 6.881 -11.813 1.00 0.00 H new ATOM 0 HA TYR A 3 12.346 4.308 -11.669 1.00 0.00 H new ATOM 0 HB2 TYR A 3 13.455 7.110 -11.186 1.00 0.00 H new ATOM 0 HB3 TYR A 3 14.230 5.659 -10.581 1.00 0.00 H new ATOM 0 HD1 TYR A 3 13.104 7.395 -13.678 1.00 0.00 H new ATOM 0 HD2 TYR A 3 15.463 4.200 -12.042 1.00 0.00 H new ATOM 0 HE1 TYR A 3 14.147 7.027 -15.899 1.00 0.00 H new ATOM 0 HE2 TYR A 3 16.506 3.832 -14.262 1.00 0.00 H new ATOM 0 HH TYR A 3 16.621 4.469 -16.399 1.00 0.00 H new ATOM 52 N PRO A 4 10.591 4.616 -9.685 1.00 0.00 N ATOM 53 CA PRO A 4 9.889 4.455 -8.371 1.00 0.00 C ATOM 54 C PRO A 4 10.463 3.260 -7.597 1.00 0.00 C ATOM 55 O PRO A 4 11.232 3.424 -6.670 1.00 0.00 O ATOM 56 CB PRO A 4 8.424 4.222 -8.725 1.00 0.00 C ATOM 57 CG PRO A 4 8.400 3.668 -10.138 1.00 0.00 C ATOM 58 CD PRO A 4 9.810 3.829 -10.708 1.00 0.00 C ATOM 0 HA PRO A 4 10.014 5.328 -7.730 1.00 0.00 H new ATOM 0 HB2 PRO A 4 7.964 3.523 -8.027 1.00 0.00 H new ATOM 0 HB3 PRO A 4 7.858 5.152 -8.664 1.00 0.00 H new ATOM 0 HG2 PRO A 4 8.103 2.619 -10.136 1.00 0.00 H new ATOM 0 HG3 PRO A 4 7.674 4.204 -10.749 1.00 0.00 H new ATOM 0 HD2 PRO A 4 10.271 2.857 -10.886 1.00 0.00 H new ATOM 0 HD3 PRO A 4 9.786 4.351 -11.665 1.00 0.00 H new ATOM 66 N TYR A 5 10.089 2.064 -7.971 1.00 0.00 N ATOM 67 CA TYR A 5 10.595 0.851 -7.267 1.00 0.00 C ATOM 68 C TYR A 5 12.047 0.574 -7.676 1.00 0.00 C ATOM 69 O TYR A 5 12.802 -0.029 -6.937 1.00 0.00 O ATOM 70 CB TYR A 5 9.722 -0.345 -7.655 1.00 0.00 C ATOM 71 CG TYR A 5 9.570 -1.272 -6.474 1.00 0.00 C ATOM 72 CD1 TYR A 5 10.621 -2.124 -6.114 1.00 0.00 C ATOM 73 CD2 TYR A 5 8.377 -1.283 -5.742 1.00 0.00 C ATOM 74 CE1 TYR A 5 10.478 -2.987 -5.020 1.00 0.00 C ATOM 75 CE2 TYR A 5 8.234 -2.145 -4.649 1.00 0.00 C ATOM 76 CZ TYR A 5 9.285 -2.997 -4.288 1.00 0.00 C ATOM 77 OH TYR A 5 9.144 -3.848 -3.211 1.00 0.00 O ATOM 0 H TYR A 5 9.448 1.876 -8.742 1.00 0.00 H new ATOM 0 HA TYR A 5 10.555 1.012 -6.190 1.00 0.00 H new ATOM 0 HB2 TYR A 5 8.743 0.000 -7.986 1.00 0.00 H new ATOM 0 HB3 TYR A 5 10.172 -0.879 -8.492 1.00 0.00 H new ATOM 0 HD1 TYR A 5 11.541 -2.116 -6.679 1.00 0.00 H new ATOM 0 HD2 TYR A 5 7.567 -0.626 -6.021 1.00 0.00 H new ATOM 0 HE1 TYR A 5 11.288 -3.645 -4.741 1.00 0.00 H new ATOM 0 HE2 TYR A 5 7.314 -2.153 -4.084 1.00 0.00 H new ATOM 0 HH TYR A 5 8.256 -3.728 -2.813 1.00 0.00 H new ATOM 87 N TYR A 6 12.439 1.004 -8.850 1.00 0.00 N ATOM 88 CA TYR A 6 13.834 0.763 -9.317 1.00 0.00 C ATOM 89 C TYR A 6 14.827 1.533 -8.438 1.00 0.00 C ATOM 90 O TYR A 6 15.990 1.183 -8.358 1.00 0.00 O ATOM 91 CB TYR A 6 13.964 1.235 -10.766 1.00 0.00 C ATOM 92 CG TYR A 6 14.938 0.347 -11.504 1.00 0.00 C ATOM 93 CD1 TYR A 6 14.691 -1.027 -11.605 1.00 0.00 C ATOM 94 CD2 TYR A 6 16.087 0.896 -12.088 1.00 0.00 C ATOM 95 CE1 TYR A 6 15.591 -1.853 -12.288 1.00 0.00 C ATOM 96 CE2 TYR A 6 16.987 0.070 -12.772 1.00 0.00 C ATOM 97 CZ TYR A 6 16.739 -1.305 -12.872 1.00 0.00 C ATOM 98 OH TYR A 6 17.626 -2.119 -13.546 1.00 0.00 O ATOM 0 H TYR A 6 11.848 1.514 -9.506 1.00 0.00 H new ATOM 0 HA TYR A 6 14.057 -0.302 -9.250 1.00 0.00 H new ATOM 0 HB2 TYR A 6 12.991 1.210 -11.256 1.00 0.00 H new ATOM 0 HB3 TYR A 6 14.307 2.269 -10.793 1.00 0.00 H new ATOM 0 HD1 TYR A 6 13.805 -1.450 -11.155 1.00 0.00 H new ATOM 0 HD2 TYR A 6 16.278 1.956 -12.011 1.00 0.00 H new ATOM 0 HE1 TYR A 6 15.400 -2.913 -12.364 1.00 0.00 H new ATOM 0 HE2 TYR A 6 17.873 0.493 -13.223 1.00 0.00 H new ATOM 0 HH TYR A 6 18.368 -1.579 -13.891 1.00 0.00 H new ATOM 108 N LEU A 7 14.384 2.581 -7.786 1.00 0.00 N ATOM 109 CA LEU A 7 15.306 3.375 -6.921 1.00 0.00 C ATOM 110 C LEU A 7 15.486 2.687 -5.563 1.00 0.00 C ATOM 111 O LEU A 7 16.482 2.883 -4.893 1.00 0.00 O ATOM 112 CB LEU A 7 14.724 4.774 -6.707 1.00 0.00 C ATOM 113 CG LEU A 7 15.757 5.653 -5.998 1.00 0.00 C ATOM 114 CD1 LEU A 7 16.935 5.917 -6.937 1.00 0.00 C ATOM 115 CD2 LEU A 7 15.110 6.983 -5.608 1.00 0.00 C ATOM 0 H LEU A 7 13.422 2.919 -7.817 1.00 0.00 H new ATOM 0 HA LEU A 7 16.276 3.448 -7.413 1.00 0.00 H new ATOM 0 HB2 LEU A 7 14.451 5.216 -7.665 1.00 0.00 H new ATOM 0 HB3 LEU A 7 13.813 4.713 -6.112 1.00 0.00 H new ATOM 0 HG LEU A 7 16.114 5.144 -5.103 1.00 0.00 H new ATOM 0 HD11 LEU A 7 17.670 6.543 -6.431 1.00 0.00 H new ATOM 0 HD12 LEU A 7 17.396 4.970 -7.217 1.00 0.00 H new ATOM 0 HD13 LEU A 7 16.579 6.426 -7.833 1.00 0.00 H new ATOM 0 HD21 LEU A 7 15.844 7.610 -5.103 1.00 0.00 H new ATOM 0 HD22 LEU A 7 14.754 7.491 -6.504 1.00 0.00 H new ATOM 0 HD23 LEU A 7 14.270 6.797 -4.939 1.00 0.00 H new ATOM 127 N SER A 8 14.531 1.890 -5.148 1.00 0.00 N ATOM 128 CA SER A 8 14.648 1.198 -3.827 1.00 0.00 C ATOM 129 C SER A 8 15.870 0.277 -3.829 1.00 0.00 C ATOM 130 O SER A 8 16.614 0.217 -2.868 1.00 0.00 O ATOM 131 CB SER A 8 13.389 0.371 -3.567 1.00 0.00 C ATOM 132 OG SER A 8 12.263 1.042 -4.118 1.00 0.00 O ATOM 0 H SER A 8 13.676 1.689 -5.667 1.00 0.00 H new ATOM 0 HA SER A 8 14.761 1.946 -3.042 1.00 0.00 H new ATOM 0 HB2 SER A 8 13.491 -0.618 -4.013 1.00 0.00 H new ATOM 0 HB3 SER A 8 13.251 0.225 -2.496 1.00 0.00 H new ATOM 0 HG SER A 8 11.454 0.513 -3.954 1.00 0.00 H new ATOM 138 N ASP A 9 16.074 -0.444 -4.899 1.00 0.00 N ATOM 139 CA ASP A 9 17.241 -1.372 -4.973 1.00 0.00 C ATOM 140 C ASP A 9 18.547 -0.572 -4.957 1.00 0.00 C ATOM 141 O ASP A 9 19.578 -1.071 -4.547 1.00 0.00 O ATOM 142 CB ASP A 9 17.163 -2.191 -6.263 1.00 0.00 C ATOM 143 CG ASP A 9 18.111 -3.388 -6.162 1.00 0.00 C ATOM 144 OD1 ASP A 9 19.311 -3.177 -6.229 1.00 0.00 O ATOM 145 OD2 ASP A 9 17.621 -4.497 -6.020 1.00 0.00 O ATOM 0 H ASP A 9 15.481 -0.430 -5.728 1.00 0.00 H new ATOM 0 HA ASP A 9 17.219 -2.041 -4.113 1.00 0.00 H new ATOM 0 HB2 ASP A 9 16.142 -2.535 -6.428 1.00 0.00 H new ATOM 0 HB3 ASP A 9 17.432 -1.571 -7.118 1.00 0.00 H new ATOM 150 N ILE A 10 18.516 0.662 -5.398 1.00 0.00 N ATOM 151 CA ILE A 10 19.762 1.486 -5.405 1.00 0.00 C ATOM 152 C ILE A 10 20.218 1.726 -3.966 1.00 0.00 C ATOM 153 O ILE A 10 21.362 1.499 -3.630 1.00 0.00 O ATOM 154 CB ILE A 10 19.500 2.833 -6.090 1.00 0.00 C ATOM 155 CG1 ILE A 10 18.850 2.613 -7.467 1.00 0.00 C ATOM 156 CG2 ILE A 10 20.825 3.582 -6.264 1.00 0.00 C ATOM 157 CD1 ILE A 10 19.750 1.743 -8.355 1.00 0.00 C ATOM 0 H ILE A 10 17.683 1.132 -5.752 1.00 0.00 H new ATOM 0 HA ILE A 10 20.539 0.954 -5.954 1.00 0.00 H new ATOM 0 HB ILE A 10 18.823 3.421 -5.470 1.00 0.00 H new ATOM 0 HG12 ILE A 10 17.878 2.134 -7.344 1.00 0.00 H new ATOM 0 HG13 ILE A 10 18.673 3.574 -7.950 1.00 0.00 H new ATOM 0 HG21 ILE A 10 20.640 4.540 -6.751 1.00 0.00 H new ATOM 0 HG22 ILE A 10 21.277 3.753 -5.287 1.00 0.00 H new ATOM 0 HG23 ILE A 10 21.501 2.987 -6.878 1.00 0.00 H new ATOM 0 HD11 ILE A 10 19.274 1.598 -9.325 1.00 0.00 H new ATOM 0 HD12 ILE A 10 20.712 2.237 -8.493 1.00 0.00 H new ATOM 0 HD13 ILE A 10 19.905 0.775 -7.879 1.00 0.00 H new ATOM 169 N THR A 11 19.332 2.180 -3.111 1.00 0.00 N ATOM 170 CA THR A 11 19.713 2.436 -1.686 1.00 0.00 C ATOM 171 C THR A 11 20.281 1.160 -1.063 1.00 0.00 C ATOM 172 O THR A 11 21.235 1.205 -0.310 1.00 0.00 O ATOM 173 CB THR A 11 18.479 2.881 -0.896 1.00 0.00 C ATOM 174 OG1 THR A 11 17.795 3.894 -1.620 1.00 0.00 O ATOM 175 CG2 THR A 11 18.913 3.426 0.467 1.00 0.00 C ATOM 0 H THR A 11 18.359 2.385 -3.340 1.00 0.00 H new ATOM 0 HA THR A 11 20.469 3.220 -1.655 1.00 0.00 H new ATOM 0 HB THR A 11 17.814 2.030 -0.748 1.00 0.00 H new ATOM 0 HG1 THR A 11 17.004 4.179 -1.116 1.00 0.00 H new ATOM 0 HG21 THR A 11 18.034 3.743 1.029 1.00 0.00 H new ATOM 0 HG22 THR A 11 19.436 2.646 1.021 1.00 0.00 H new ATOM 0 HG23 THR A 11 19.578 4.278 0.323 1.00 0.00 H new ATOM 183 N ASP A 12 19.711 0.024 -1.382 1.00 0.00 N ATOM 184 CA ASP A 12 20.226 -1.259 -0.820 1.00 0.00 C ATOM 185 C ASP A 12 21.665 -1.463 -1.296 1.00 0.00 C ATOM 186 O ASP A 12 22.507 -1.964 -0.574 1.00 0.00 O ATOM 187 CB ASP A 12 19.351 -2.420 -1.306 1.00 0.00 C ATOM 188 CG ASP A 12 18.370 -2.821 -0.202 1.00 0.00 C ATOM 189 OD1 ASP A 12 17.601 -1.972 0.218 1.00 0.00 O ATOM 190 OD2 ASP A 12 18.406 -3.970 0.206 1.00 0.00 O ATOM 0 H ASP A 12 18.911 -0.068 -2.008 1.00 0.00 H new ATOM 0 HA ASP A 12 20.199 -1.225 0.269 1.00 0.00 H new ATOM 0 HB2 ASP A 12 18.805 -2.126 -2.203 1.00 0.00 H new ATOM 0 HB3 ASP A 12 19.976 -3.271 -1.578 1.00 0.00 H new ATOM 195 N VAL A 13 21.949 -1.060 -2.508 1.00 0.00 N ATOM 196 CA VAL A 13 23.330 -1.201 -3.052 1.00 0.00 C ATOM 197 C VAL A 13 24.289 -0.359 -2.203 1.00 0.00 C ATOM 198 O VAL A 13 25.365 -0.799 -1.845 1.00 0.00 O ATOM 199 CB VAL A 13 23.346 -0.718 -4.505 1.00 0.00 C ATOM 200 CG1 VAL A 13 24.753 -0.870 -5.093 1.00 0.00 C ATOM 201 CG2 VAL A 13 22.360 -1.553 -5.329 1.00 0.00 C ATOM 0 H VAL A 13 21.277 -0.636 -3.148 1.00 0.00 H new ATOM 0 HA VAL A 13 23.645 -2.244 -3.019 1.00 0.00 H new ATOM 0 HB VAL A 13 23.057 0.332 -4.535 1.00 0.00 H new ATOM 0 HG11 VAL A 13 24.755 -0.524 -6.127 1.00 0.00 H new ATOM 0 HG12 VAL A 13 25.457 -0.276 -4.510 1.00 0.00 H new ATOM 0 HG13 VAL A 13 25.049 -1.918 -5.061 1.00 0.00 H new ATOM 0 HG21 VAL A 13 22.370 -1.211 -6.364 1.00 0.00 H new ATOM 0 HG22 VAL A 13 22.652 -2.603 -5.291 1.00 0.00 H new ATOM 0 HG23 VAL A 13 21.356 -1.440 -4.919 1.00 0.00 H new ATOM 211 N ILE A 14 23.896 0.846 -1.870 1.00 0.00 N ATOM 212 CA ILE A 14 24.767 1.722 -1.033 1.00 0.00 C ATOM 213 C ILE A 14 24.557 1.403 0.462 1.00 0.00 C ATOM 214 O ILE A 14 25.220 1.967 1.312 1.00 0.00 O ATOM 215 CB ILE A 14 24.417 3.193 -1.309 1.00 0.00 C ATOM 216 CG1 ILE A 14 24.694 3.514 -2.780 1.00 0.00 C ATOM 217 CG2 ILE A 14 25.277 4.115 -0.435 1.00 0.00 C ATOM 218 CD1 ILE A 14 23.450 3.222 -3.614 1.00 0.00 C ATOM 0 H ILE A 14 23.005 1.260 -2.144 1.00 0.00 H new ATOM 0 HA ILE A 14 25.812 1.542 -1.285 1.00 0.00 H new ATOM 0 HB ILE A 14 23.363 3.352 -1.079 1.00 0.00 H new ATOM 0 HG12 ILE A 14 24.977 4.561 -2.886 1.00 0.00 H new ATOM 0 HG13 ILE A 14 25.533 2.919 -3.140 1.00 0.00 H new ATOM 0 HG21 ILE A 14 25.020 5.154 -0.640 1.00 0.00 H new ATOM 0 HG22 ILE A 14 25.092 3.896 0.617 1.00 0.00 H new ATOM 0 HG23 ILE A 14 26.331 3.951 -0.660 1.00 0.00 H new ATOM 0 HD11 ILE A 14 23.651 3.452 -4.660 1.00 0.00 H new ATOM 0 HD12 ILE A 14 23.187 2.169 -3.518 1.00 0.00 H new ATOM 0 HD13 ILE A 14 22.622 3.837 -3.260 1.00 0.00 H new ATOM 230 N PHE A 15 23.646 0.514 0.791 1.00 0.00 N ATOM 231 CA PHE A 15 23.408 0.176 2.222 1.00 0.00 C ATOM 232 C PHE A 15 24.403 -0.901 2.662 1.00 0.00 C ATOM 233 O PHE A 15 24.896 -0.885 3.774 1.00 0.00 O ATOM 234 CB PHE A 15 21.978 -0.350 2.379 1.00 0.00 C ATOM 235 CG PHE A 15 21.377 0.164 3.667 1.00 0.00 C ATOM 236 CD1 PHE A 15 21.701 -0.443 4.887 1.00 0.00 C ATOM 237 CD2 PHE A 15 20.492 1.248 3.639 1.00 0.00 C ATOM 238 CE1 PHE A 15 21.139 0.036 6.077 1.00 0.00 C ATOM 239 CE2 PHE A 15 19.931 1.727 4.828 1.00 0.00 C ATOM 240 CZ PHE A 15 20.255 1.120 6.048 1.00 0.00 C ATOM 0 H PHE A 15 23.060 0.011 0.125 1.00 0.00 H new ATOM 0 HA PHE A 15 23.542 1.064 2.840 1.00 0.00 H new ATOM 0 HB2 PHE A 15 21.370 -0.032 1.532 1.00 0.00 H new ATOM 0 HB3 PHE A 15 21.981 -1.440 2.379 1.00 0.00 H new ATOM 0 HD1 PHE A 15 22.384 -1.280 4.910 1.00 0.00 H new ATOM 0 HD2 PHE A 15 20.242 1.715 2.698 1.00 0.00 H new ATOM 0 HE1 PHE A 15 21.388 -0.432 7.018 1.00 0.00 H new ATOM 0 HE2 PHE A 15 19.249 2.564 4.805 1.00 0.00 H new ATOM 0 HZ PHE A 15 19.822 1.489 6.966 1.00 0.00 H new ATOM 250 N ILE A 16 24.696 -1.837 1.794 1.00 0.00 N ATOM 251 CA ILE A 16 25.654 -2.923 2.150 1.00 0.00 C ATOM 252 C ILE A 16 27.081 -2.461 1.851 1.00 0.00 C ATOM 253 O ILE A 16 28.006 -2.763 2.581 1.00 0.00 O ATOM 254 CB ILE A 16 25.341 -4.178 1.329 1.00 0.00 C ATOM 255 CG1 ILE A 16 23.850 -4.514 1.446 1.00 0.00 C ATOM 256 CG2 ILE A 16 26.166 -5.351 1.861 1.00 0.00 C ATOM 257 CD1 ILE A 16 23.489 -5.589 0.418 1.00 0.00 C ATOM 0 H ILE A 16 24.310 -1.894 0.851 1.00 0.00 H new ATOM 0 HA ILE A 16 25.560 -3.154 3.211 1.00 0.00 H new ATOM 0 HB ILE A 16 25.590 -3.996 0.284 1.00 0.00 H new ATOM 0 HG12 ILE A 16 23.623 -4.867 2.452 1.00 0.00 H new ATOM 0 HG13 ILE A 16 23.250 -3.619 1.279 1.00 0.00 H new ATOM 0 HG21 ILE A 16 25.945 -6.245 1.278 1.00 0.00 H new ATOM 0 HG22 ILE A 16 27.227 -5.117 1.778 1.00 0.00 H new ATOM 0 HG23 ILE A 16 25.915 -5.528 2.907 1.00 0.00 H new ATOM 0 HD11 ILE A 16 22.429 -5.829 0.500 1.00 0.00 H new ATOM 0 HD12 ILE A 16 23.701 -5.219 -0.585 1.00 0.00 H new ATOM 0 HD13 ILE A 16 24.080 -6.485 0.606 1.00 0.00 H new ATOM 269 N TYR A 17 27.261 -1.732 0.782 1.00 0.00 N ATOM 270 CA TYR A 17 28.624 -1.241 0.420 1.00 0.00 C ATOM 271 C TYR A 17 29.101 -0.246 1.482 1.00 0.00 C ATOM 272 O TYR A 17 30.171 -0.386 2.043 1.00 0.00 O ATOM 273 CB TYR A 17 28.563 -0.550 -0.953 1.00 0.00 C ATOM 274 CG TYR A 17 29.446 -1.281 -1.939 1.00 0.00 C ATOM 275 CD1 TYR A 17 29.111 -2.576 -2.351 1.00 0.00 C ATOM 276 CD2 TYR A 17 30.597 -0.661 -2.440 1.00 0.00 C ATOM 277 CE1 TYR A 17 29.928 -3.252 -3.265 1.00 0.00 C ATOM 278 CE2 TYR A 17 31.414 -1.337 -3.353 1.00 0.00 C ATOM 279 CZ TYR A 17 31.080 -2.632 -3.766 1.00 0.00 C ATOM 280 OH TYR A 17 31.885 -3.299 -4.667 1.00 0.00 O ATOM 0 H TYR A 17 26.519 -1.454 0.140 1.00 0.00 H new ATOM 0 HA TYR A 17 29.321 -2.078 0.373 1.00 0.00 H new ATOM 0 HB2 TYR A 17 27.535 -0.533 -1.316 1.00 0.00 H new ATOM 0 HB3 TYR A 17 28.886 0.487 -0.862 1.00 0.00 H new ATOM 0 HD1 TYR A 17 28.223 -3.053 -1.964 1.00 0.00 H new ATOM 0 HD2 TYR A 17 30.854 0.339 -2.122 1.00 0.00 H new ATOM 0 HE1 TYR A 17 29.670 -4.251 -3.584 1.00 0.00 H new ATOM 0 HE2 TYR A 17 32.302 -0.859 -3.739 1.00 0.00 H new ATOM 0 HH TYR A 17 32.641 -2.728 -4.915 1.00 0.00 H new ATOM 290 N PHE A 18 28.309 0.758 1.755 1.00 0.00 N ATOM 291 CA PHE A 18 28.697 1.775 2.775 1.00 0.00 C ATOM 292 C PHE A 18 28.683 1.144 4.167 1.00 0.00 C ATOM 293 O PHE A 18 29.408 1.549 5.049 1.00 0.00 O ATOM 294 CB PHE A 18 27.694 2.930 2.734 1.00 0.00 C ATOM 295 CG PHE A 18 28.420 4.238 2.932 1.00 0.00 C ATOM 296 CD1 PHE A 18 29.387 4.649 2.008 1.00 0.00 C ATOM 297 CD2 PHE A 18 28.129 5.038 4.043 1.00 0.00 C ATOM 298 CE1 PHE A 18 30.063 5.861 2.194 1.00 0.00 C ATOM 299 CE2 PHE A 18 28.804 6.249 4.230 1.00 0.00 C ATOM 300 CZ PHE A 18 29.771 6.661 3.305 1.00 0.00 C ATOM 0 H PHE A 18 27.404 0.917 1.312 1.00 0.00 H new ATOM 0 HA PHE A 18 29.700 2.143 2.558 1.00 0.00 H new ATOM 0 HB2 PHE A 18 27.169 2.935 1.779 1.00 0.00 H new ATOM 0 HB3 PHE A 18 26.941 2.799 3.511 1.00 0.00 H new ATOM 0 HD1 PHE A 18 29.612 4.031 1.151 1.00 0.00 H new ATOM 0 HD2 PHE A 18 27.383 4.720 4.756 1.00 0.00 H new ATOM 0 HE1 PHE A 18 30.809 6.178 1.481 1.00 0.00 H new ATOM 0 HE2 PHE A 18 28.579 6.866 5.088 1.00 0.00 H new ATOM 0 HZ PHE A 18 30.292 7.596 3.449 1.00 0.00 H new ATOM 310 N ALA A 19 27.851 0.164 4.372 1.00 0.00 N ATOM 311 CA ALA A 19 27.765 -0.501 5.710 1.00 0.00 C ATOM 312 C ALA A 19 29.144 -0.996 6.164 1.00 0.00 C ATOM 313 O ALA A 19 29.576 -0.739 7.271 1.00 0.00 O ATOM 314 CB ALA A 19 26.829 -1.703 5.601 1.00 0.00 C ATOM 0 H ALA A 19 27.218 -0.212 3.666 1.00 0.00 H new ATOM 0 HA ALA A 19 27.392 0.221 6.436 1.00 0.00 H new ATOM 0 HB1 ALA A 19 26.757 -2.197 6.570 1.00 0.00 H new ATOM 0 HB2 ALA A 19 25.840 -1.367 5.291 1.00 0.00 H new ATOM 0 HB3 ALA A 19 27.221 -2.404 4.864 1.00 0.00 H new ATOM 320 N ALA A 20 29.806 -1.738 5.325 1.00 0.00 N ATOM 321 CA ALA A 20 31.140 -2.312 5.691 1.00 0.00 C ATOM 322 C ALA A 20 32.265 -1.267 5.651 1.00 0.00 C ATOM 323 O ALA A 20 32.990 -1.092 6.610 1.00 0.00 O ATOM 324 CB ALA A 20 31.478 -3.427 4.702 1.00 0.00 C ATOM 0 H ALA A 20 29.481 -1.977 4.388 1.00 0.00 H new ATOM 0 HA ALA A 20 31.070 -2.684 6.713 1.00 0.00 H new ATOM 0 HB1 ALA A 20 32.448 -3.856 4.955 1.00 0.00 H new ATOM 0 HB2 ALA A 20 30.714 -4.202 4.753 1.00 0.00 H new ATOM 0 HB3 ALA A 20 31.514 -3.019 3.692 1.00 0.00 H new ATOM 330 N LEU A 21 32.452 -0.624 4.534 1.00 0.00 N ATOM 331 CA LEU A 21 33.576 0.365 4.396 1.00 0.00 C ATOM 332 C LEU A 21 33.403 1.594 5.304 1.00 0.00 C ATOM 333 O LEU A 21 34.326 1.986 5.985 1.00 0.00 O ATOM 334 CB LEU A 21 33.664 0.822 2.935 1.00 0.00 C ATOM 335 CG LEU A 21 34.723 -0.005 2.202 1.00 0.00 C ATOM 336 CD1 LEU A 21 34.666 0.302 0.705 1.00 0.00 C ATOM 337 CD2 LEU A 21 36.110 0.350 2.743 1.00 0.00 C ATOM 0 H LEU A 21 31.875 -0.736 3.700 1.00 0.00 H new ATOM 0 HA LEU A 21 34.493 -0.137 4.705 1.00 0.00 H new ATOM 0 HB2 LEU A 21 32.696 0.706 2.448 1.00 0.00 H new ATOM 0 HB3 LEU A 21 33.919 1.881 2.889 1.00 0.00 H new ATOM 0 HG LEU A 21 34.530 -1.066 2.362 1.00 0.00 H new ATOM 0 HD11 LEU A 21 35.420 -0.287 0.184 1.00 0.00 H new ATOM 0 HD12 LEU A 21 33.678 0.050 0.319 1.00 0.00 H new ATOM 0 HD13 LEU A 21 34.859 1.363 0.543 1.00 0.00 H new ATOM 0 HD21 LEU A 21 36.865 -0.238 2.222 1.00 0.00 H new ATOM 0 HD22 LEU A 21 36.302 1.411 2.583 1.00 0.00 H new ATOM 0 HD23 LEU A 21 36.152 0.130 3.810 1.00 0.00 H new ATOM 349 N SER A 22 32.252 2.222 5.282 1.00 0.00 N ATOM 350 CA SER A 22 32.010 3.470 6.106 1.00 0.00 C ATOM 351 C SER A 22 32.657 3.415 7.510 1.00 0.00 C ATOM 352 O SER A 22 33.378 4.325 7.867 1.00 0.00 O ATOM 353 CB SER A 22 30.507 3.715 6.250 1.00 0.00 C ATOM 354 OG SER A 22 30.294 4.891 7.020 1.00 0.00 O ATOM 0 H SER A 22 31.452 1.925 4.722 1.00 0.00 H new ATOM 0 HA SER A 22 32.485 4.291 5.569 1.00 0.00 H new ATOM 0 HB2 SER A 22 30.049 3.822 5.267 1.00 0.00 H new ATOM 0 HB3 SER A 22 30.032 2.860 6.732 1.00 0.00 H new ATOM 0 HG SER A 22 29.825 5.558 6.476 1.00 0.00 H new ATOM 360 N PRO A 23 32.402 2.373 8.272 1.00 0.00 N ATOM 361 CA PRO A 23 32.962 2.180 9.662 1.00 0.00 C ATOM 362 C PRO A 23 34.469 1.978 9.603 1.00 0.00 C ATOM 363 O PRO A 23 35.232 2.688 10.227 1.00 0.00 O ATOM 364 CB PRO A 23 32.285 0.941 10.222 1.00 0.00 C ATOM 365 CG PRO A 23 31.810 0.148 9.036 1.00 0.00 C ATOM 366 CD PRO A 23 31.536 1.175 7.944 1.00 0.00 C ATOM 0 HA PRO A 23 32.777 3.052 10.289 1.00 0.00 H new ATOM 0 HB2 PRO A 23 32.980 0.358 10.827 1.00 0.00 H new ATOM 0 HB3 PRO A 23 31.450 1.212 10.868 1.00 0.00 H new ATOM 0 HG2 PRO A 23 32.564 -0.572 8.718 1.00 0.00 H new ATOM 0 HG3 PRO A 23 30.910 -0.418 9.277 1.00 0.00 H new ATOM 0 HD2 PRO A 23 31.781 0.774 6.961 1.00 0.00 H new ATOM 0 HD3 PRO A 23 30.481 1.450 7.922 1.00 0.00 H new ATOM 374 N ALA A 24 34.893 1.000 8.860 1.00 0.00 N ATOM 375 CA ALA A 24 36.358 0.696 8.730 1.00 0.00 C ATOM 376 C ALA A 24 37.170 1.975 8.455 1.00 0.00 C ATOM 377 O ALA A 24 38.332 2.064 8.806 1.00 0.00 O ATOM 378 CB ALA A 24 36.565 -0.283 7.575 1.00 0.00 C ATOM 0 H ALA A 24 34.283 0.383 8.324 1.00 0.00 H new ATOM 0 HA ALA A 24 36.704 0.262 9.668 1.00 0.00 H new ATOM 0 HB1 ALA A 24 37.627 -0.508 7.475 1.00 0.00 H new ATOM 0 HB2 ALA A 24 36.016 -1.203 7.775 1.00 0.00 H new ATOM 0 HB3 ALA A 24 36.200 0.163 6.650 1.00 0.00 H new ATOM 384 N ILE A 25 36.566 2.961 7.838 1.00 0.00 N ATOM 385 CA ILE A 25 37.298 4.232 7.549 1.00 0.00 C ATOM 386 C ILE A 25 37.654 4.906 8.880 1.00 0.00 C ATOM 387 O ILE A 25 38.813 5.030 9.232 1.00 0.00 O ATOM 388 CB ILE A 25 36.404 5.157 6.694 1.00 0.00 C ATOM 389 CG1 ILE A 25 36.219 4.549 5.294 1.00 0.00 C ATOM 390 CG2 ILE A 25 37.037 6.552 6.552 1.00 0.00 C ATOM 391 CD1 ILE A 25 37.576 4.371 4.601 1.00 0.00 C ATOM 0 H ILE A 25 35.596 2.940 7.522 1.00 0.00 H new ATOM 0 HA ILE A 25 38.213 4.026 6.994 1.00 0.00 H new ATOM 0 HB ILE A 25 35.439 5.254 7.192 1.00 0.00 H new ATOM 0 HG12 ILE A 25 35.716 3.585 5.373 1.00 0.00 H new ATOM 0 HG13 ILE A 25 35.579 5.195 4.693 1.00 0.00 H new ATOM 0 HG21 ILE A 25 36.389 7.185 5.946 1.00 0.00 H new ATOM 0 HG22 ILE A 25 37.160 6.998 7.539 1.00 0.00 H new ATOM 0 HG23 ILE A 25 38.011 6.462 6.070 1.00 0.00 H new ATOM 0 HD11 ILE A 25 37.425 3.940 3.611 1.00 0.00 H new ATOM 0 HD12 ILE A 25 38.065 5.340 4.504 1.00 0.00 H new ATOM 0 HD13 ILE A 25 38.203 3.706 5.195 1.00 0.00 H new ATOM 403 N THR A 26 36.664 5.337 9.618 1.00 0.00 N ATOM 404 CA THR A 26 36.932 6.000 10.926 1.00 0.00 C ATOM 405 C THR A 26 37.180 4.931 11.993 1.00 0.00 C ATOM 406 O THR A 26 38.261 4.830 12.541 1.00 0.00 O ATOM 407 CB THR A 26 35.724 6.854 11.321 1.00 0.00 C ATOM 408 OG1 THR A 26 35.381 7.712 10.242 1.00 0.00 O ATOM 409 CG2 THR A 26 36.072 7.694 12.551 1.00 0.00 C ATOM 0 H THR A 26 35.678 5.257 9.369 1.00 0.00 H new ATOM 0 HA THR A 26 37.811 6.638 10.841 1.00 0.00 H new ATOM 0 HB THR A 26 34.880 6.205 11.553 1.00 0.00 H new ATOM 0 HG1 THR A 26 34.607 8.258 10.492 1.00 0.00 H new ATOM 0 HG21 THR A 26 35.212 8.302 12.832 1.00 0.00 H new ATOM 0 HG22 THR A 26 36.337 7.035 13.378 1.00 0.00 H new ATOM 0 HG23 THR A 26 36.916 8.344 12.321 1.00 0.00 H new ATOM 417 N PHE A 27 36.185 4.133 12.287 1.00 0.00 N ATOM 418 CA PHE A 27 36.352 3.063 13.315 1.00 0.00 C ATOM 419 C PHE A 27 37.223 1.939 12.743 1.00 0.00 C ATOM 420 O PHE A 27 36.927 1.383 11.702 1.00 0.00 O ATOM 421 CB PHE A 27 34.976 2.503 13.691 1.00 0.00 C ATOM 422 CG PHE A 27 35.120 1.500 14.814 1.00 0.00 C ATOM 423 CD1 PHE A 27 35.488 1.926 16.096 1.00 0.00 C ATOM 424 CD2 PHE A 27 34.886 0.141 14.569 1.00 0.00 C ATOM 425 CE1 PHE A 27 35.621 0.994 17.132 1.00 0.00 C ATOM 426 CE2 PHE A 27 35.019 -0.791 15.605 1.00 0.00 C ATOM 427 CZ PHE A 27 35.387 -0.364 16.887 1.00 0.00 C ATOM 0 H PHE A 27 35.261 4.177 11.857 1.00 0.00 H new ATOM 0 HA PHE A 27 36.831 3.478 14.202 1.00 0.00 H new ATOM 0 HB2 PHE A 27 34.315 3.314 13.998 1.00 0.00 H new ATOM 0 HB3 PHE A 27 34.517 2.028 12.824 1.00 0.00 H new ATOM 0 HD1 PHE A 27 35.669 2.974 16.286 1.00 0.00 H new ATOM 0 HD2 PHE A 27 34.603 -0.188 13.580 1.00 0.00 H new ATOM 0 HE1 PHE A 27 35.904 1.323 18.121 1.00 0.00 H new ATOM 0 HE2 PHE A 27 34.838 -1.839 15.416 1.00 0.00 H new ATOM 0 HZ PHE A 27 35.490 -1.083 17.687 1.00 0.00 H new ATOM 437 N GLY A 28 38.290 1.600 13.422 1.00 0.00 N ATOM 438 CA GLY A 28 39.182 0.511 12.930 1.00 0.00 C ATOM 439 C GLY A 28 40.349 1.111 12.145 1.00 0.00 C ATOM 440 O GLY A 28 40.531 2.314 12.109 1.00 0.00 O ATOM 0 H GLY A 28 38.581 2.033 14.298 1.00 0.00 H new ATOM 0 HA2 GLY A 28 39.559 -0.071 13.771 1.00 0.00 H new ATOM 0 HA3 GLY A 28 38.619 -0.174 12.296 1.00 0.00 H new ATOM 444 N GLY A 29 41.141 0.278 11.516 1.00 0.00 N ATOM 445 CA GLY A 29 42.299 0.785 10.729 1.00 0.00 C ATOM 446 C GLY A 29 43.580 0.096 11.202 1.00 0.00 C ATOM 447 O GLY A 29 44.603 0.729 11.387 1.00 0.00 O ATOM 0 H GLY A 29 41.031 -0.736 11.516 1.00 0.00 H new ATOM 0 HA2 GLY A 29 42.142 0.594 9.667 1.00 0.00 H new ATOM 0 HA3 GLY A 29 42.389 1.865 10.849 1.00 0.00 H new ATOM 451 N LEU A 30 43.530 -1.198 11.397 1.00 0.00 N ATOM 452 CA LEU A 30 44.743 -1.937 11.858 1.00 0.00 C ATOM 453 C LEU A 30 45.539 -2.425 10.646 1.00 0.00 C ATOM 454 O LEU A 30 45.161 -2.200 9.512 1.00 0.00 O ATOM 455 CB LEU A 30 44.332 -3.140 12.718 1.00 0.00 C ATOM 456 CG LEU A 30 43.264 -3.972 11.990 1.00 0.00 C ATOM 457 CD1 LEU A 30 43.585 -5.464 12.136 1.00 0.00 C ATOM 458 CD2 LEU A 30 41.885 -3.685 12.597 1.00 0.00 C ATOM 0 H LEU A 30 42.700 -1.774 11.256 1.00 0.00 H new ATOM 0 HA LEU A 30 45.361 -1.266 12.455 1.00 0.00 H new ATOM 0 HB2 LEU A 30 45.204 -3.759 12.931 1.00 0.00 H new ATOM 0 HB3 LEU A 30 43.944 -2.796 13.677 1.00 0.00 H new ATOM 0 HG LEU A 30 43.258 -3.704 10.934 1.00 0.00 H new ATOM 0 HD11 LEU A 30 42.826 -6.052 11.619 1.00 0.00 H new ATOM 0 HD12 LEU A 30 44.563 -5.670 11.701 1.00 0.00 H new ATOM 0 HD13 LEU A 30 43.594 -5.732 13.192 1.00 0.00 H new ATOM 0 HD21 LEU A 30 41.129 -4.276 12.079 1.00 0.00 H new ATOM 0 HD22 LEU A 30 41.891 -3.949 13.654 1.00 0.00 H new ATOM 0 HD23 LEU A 30 41.653 -2.625 12.489 1.00 0.00 H new ATOM 470 N LEU A 31 46.639 -3.093 10.884 1.00 0.00 N ATOM 471 CA LEU A 31 47.471 -3.606 9.756 1.00 0.00 C ATOM 472 C LEU A 31 46.715 -4.717 9.025 1.00 0.00 C ATOM 473 O LEU A 31 46.908 -4.937 7.844 1.00 0.00 O ATOM 474 CB LEU A 31 48.783 -4.168 10.307 1.00 0.00 C ATOM 475 CG LEU A 31 49.804 -4.305 9.171 1.00 0.00 C ATOM 476 CD1 LEU A 31 50.767 -3.117 9.199 1.00 0.00 C ATOM 477 CD2 LEU A 31 50.596 -5.604 9.347 1.00 0.00 C ATOM 0 H LEU A 31 46.997 -3.305 11.815 1.00 0.00 H new ATOM 0 HA LEU A 31 47.682 -2.792 9.063 1.00 0.00 H new ATOM 0 HB2 LEU A 31 49.174 -3.510 11.083 1.00 0.00 H new ATOM 0 HB3 LEU A 31 48.608 -5.139 10.771 1.00 0.00 H new ATOM 0 HG LEU A 31 49.279 -4.325 8.216 1.00 0.00 H new ATOM 0 HD11 LEU A 31 51.492 -3.217 8.391 1.00 0.00 H new ATOM 0 HD12 LEU A 31 50.206 -2.191 9.071 1.00 0.00 H new ATOM 0 HD13 LEU A 31 51.290 -3.095 10.155 1.00 0.00 H new ATOM 0 HD21 LEU A 31 51.321 -5.700 8.539 1.00 0.00 H new ATOM 0 HD22 LEU A 31 51.119 -5.585 10.303 1.00 0.00 H new ATOM 0 HD23 LEU A 31 49.913 -6.453 9.324 1.00 0.00 H new ATOM 489 N GLY A 32 45.856 -5.423 9.720 1.00 0.00 N ATOM 490 CA GLY A 32 45.082 -6.530 9.078 1.00 0.00 C ATOM 491 C GLY A 32 44.291 -5.992 7.882 1.00 0.00 C ATOM 492 O GLY A 32 43.344 -5.244 8.037 1.00 0.00 O ATOM 0 H GLY A 32 45.657 -5.278 10.710 1.00 0.00 H new ATOM 0 HA2 GLY A 32 45.761 -7.317 8.751 1.00 0.00 H new ATOM 0 HA3 GLY A 32 44.402 -6.977 9.803 1.00 0.00 H new ATOM 496 N GLU A 33 44.678 -6.370 6.689 1.00 0.00 N ATOM 497 CA GLU A 33 43.963 -5.888 5.464 1.00 0.00 C ATOM 498 C GLU A 33 42.463 -6.193 5.566 1.00 0.00 C ATOM 499 O GLU A 33 41.635 -5.328 5.348 1.00 0.00 O ATOM 500 CB GLU A 33 44.543 -6.561 4.207 1.00 0.00 C ATOM 501 CG GLU A 33 44.752 -8.071 4.426 1.00 0.00 C ATOM 502 CD GLU A 33 43.756 -8.863 3.574 1.00 0.00 C ATOM 503 OE1 GLU A 33 43.649 -8.567 2.395 1.00 0.00 O ATOM 504 OE2 GLU A 33 43.120 -9.752 4.115 1.00 0.00 O ATOM 0 H GLU A 33 45.463 -6.996 6.509 1.00 0.00 H new ATOM 0 HA GLU A 33 44.102 -4.810 5.388 1.00 0.00 H new ATOM 0 HB2 GLU A 33 43.870 -6.403 3.364 1.00 0.00 H new ATOM 0 HB3 GLU A 33 45.493 -6.094 3.948 1.00 0.00 H new ATOM 0 HG2 GLU A 33 45.772 -8.348 4.161 1.00 0.00 H new ATOM 0 HG3 GLU A 33 44.619 -8.317 5.480 1.00 0.00 H new ATOM 511 N LYS A 34 42.109 -7.408 5.899 1.00 0.00 N ATOM 512 CA LYS A 34 40.666 -7.765 6.020 1.00 0.00 C ATOM 513 C LYS A 34 40.241 -7.683 7.487 1.00 0.00 C ATOM 514 O LYS A 34 41.080 -7.354 8.309 1.00 0.00 O ATOM 515 CB LYS A 34 40.438 -9.187 5.502 1.00 0.00 C ATOM 516 CG LYS A 34 38.934 -9.447 5.379 1.00 0.00 C ATOM 517 CD LYS A 34 38.663 -10.392 4.201 1.00 0.00 C ATOM 518 CE LYS A 34 38.391 -11.805 4.724 1.00 0.00 C ATOM 519 NZ LYS A 34 36.922 -12.000 4.883 1.00 0.00 N ATOM 520 OXT LYS A 34 39.084 -7.952 7.764 1.00 0.00 O ATOM 0 H LYS A 34 42.760 -8.169 6.093 1.00 0.00 H new ATOM 0 HA LYS A 34 40.073 -7.067 5.428 1.00 0.00 H new ATOM 0 HB2 LYS A 34 40.921 -9.315 4.533 1.00 0.00 H new ATOM 0 HB3 LYS A 34 40.889 -9.910 6.181 1.00 0.00 H new ATOM 0 HG2 LYS A 34 38.555 -9.885 6.302 1.00 0.00 H new ATOM 0 HG3 LYS A 34 38.404 -8.506 5.231 1.00 0.00 H new ATOM 0 HD2 LYS A 34 37.808 -10.036 3.626 1.00 0.00 H new ATOM 0 HD3 LYS A 34 39.519 -10.402 3.526 1.00 0.00 H new ATOM 0 HE2 LYS A 34 38.794 -12.545 4.032 1.00 0.00 H new ATOM 0 HE3 LYS A 34 38.894 -11.954 5.679 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 36.736 -12.960 5.238 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 36.550 -11.302 5.559 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 36.454 -11.874 3.963 1.00 0.00 H new TER 534 LYS A 34