USER MOD reduce.3.24.130724 H: found=0, std=0, add=270, rem=0, adj=3 USER MOD reduce.3.24.130724 removed 270 hydrogens (0 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 1 LYS N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 ASN : amide:sc= 1.16 K(o=1.2,f=-0.2) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 MET CE :methyl -179:sc= 0 (180deg=-0.00173) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 15.485 -5.948 13.019 1.00 0.00 N ATOM 2 CA LYS A 1 14.644 -6.893 12.219 1.00 0.00 C ATOM 3 C LYS A 1 14.709 -6.650 10.690 1.00 0.00 C ATOM 4 O LYS A 1 13.684 -6.709 10.006 1.00 0.00 O ATOM 5 CB LYS A 1 13.187 -6.943 12.759 1.00 0.00 C ATOM 6 CG LYS A 1 12.467 -5.577 12.751 1.00 0.00 C ATOM 7 CD LYS A 1 10.930 -5.669 12.859 1.00 0.00 C ATOM 8 CE LYS A 1 10.362 -5.200 14.209 1.00 0.00 C ATOM 9 NZ LYS A 1 10.501 -6.221 15.281 1.00 0.00 N ATOM 0 H1 LYS A 1 15.391 -6.171 14.030 1.00 0.00 H new ATOM 0 H2 LYS A 1 16.481 -6.043 12.734 1.00 0.00 H new ATOM 0 H3 LYS A 1 15.168 -4.972 12.849 1.00 0.00 H new ATOM 0 HA LYS A 1 15.080 -7.882 12.356 1.00 0.00 H new ATOM 0 HB2 LYS A 1 12.612 -7.649 12.159 1.00 0.00 H new ATOM 0 HB3 LYS A 1 13.201 -7.329 13.778 1.00 0.00 H new ATOM 0 HG2 LYS A 1 12.843 -4.977 13.580 1.00 0.00 H new ATOM 0 HG3 LYS A 1 12.724 -5.049 11.833 1.00 0.00 H new ATOM 0 HD2 LYS A 1 10.485 -5.071 12.063 1.00 0.00 H new ATOM 0 HD3 LYS A 1 10.627 -6.702 12.689 1.00 0.00 H new ATOM 0 HE2 LYS A 1 10.873 -4.287 14.515 1.00 0.00 H new ATOM 0 HE3 LYS A 1 9.308 -4.950 14.087 1.00 0.00 H new ATOM 0 HZ1 LYS A 1 10.102 -5.851 16.167 1.00 0.00 H new ATOM 0 HZ2 LYS A 1 9.991 -7.085 15.006 1.00 0.00 H new ATOM 0 HZ3 LYS A 1 11.507 -6.443 15.421 1.00 0.00 H new ATOM 25 N LYS A 2 15.898 -6.434 10.095 1.00 0.00 N ATOM 26 CA LYS A 2 16.078 -6.129 8.649 1.00 0.00 C ATOM 27 C LYS A 2 15.502 -7.197 7.703 1.00 0.00 C ATOM 28 O LYS A 2 15.009 -6.863 6.628 1.00 0.00 O ATOM 29 CB LYS A 2 17.574 -5.865 8.349 1.00 0.00 C ATOM 30 CG LYS A 2 17.858 -4.426 7.881 1.00 0.00 C ATOM 31 CD LYS A 2 17.442 -4.165 6.424 1.00 0.00 C ATOM 32 CE LYS A 2 17.787 -2.720 6.040 1.00 0.00 C ATOM 33 NZ LYS A 2 17.312 -2.382 4.672 1.00 0.00 N ATOM 0 H LYS A 2 16.779 -6.465 10.608 1.00 0.00 H new ATOM 0 HA LYS A 2 15.496 -5.229 8.448 1.00 0.00 H new ATOM 0 HB2 LYS A 2 18.159 -6.070 9.246 1.00 0.00 H new ATOM 0 HB3 LYS A 2 17.912 -6.562 7.582 1.00 0.00 H new ATOM 0 HG2 LYS A 2 17.330 -3.729 8.532 1.00 0.00 H new ATOM 0 HG3 LYS A 2 18.923 -4.220 7.990 1.00 0.00 H new ATOM 0 HD2 LYS A 2 17.954 -4.861 5.759 1.00 0.00 H new ATOM 0 HD3 LYS A 2 16.373 -4.338 6.304 1.00 0.00 H new ATOM 0 HE2 LYS A 2 17.338 -2.036 6.760 1.00 0.00 H new ATOM 0 HE3 LYS A 2 18.866 -2.577 6.095 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 17.564 -1.398 4.450 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 17.760 -3.018 3.982 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 16.279 -2.493 4.626 1.00 0.00 H new ATOM 47 N LYS A 3 15.482 -8.467 8.127 1.00 0.00 N ATOM 48 CA LYS A 3 14.875 -9.606 7.404 1.00 0.00 C ATOM 49 C LYS A 3 13.368 -9.448 7.146 1.00 0.00 C ATOM 50 O LYS A 3 12.869 -9.976 6.152 1.00 0.00 O ATOM 51 CB LYS A 3 15.159 -10.914 8.173 1.00 0.00 C ATOM 52 CG LYS A 3 16.648 -11.310 8.152 1.00 0.00 C ATOM 53 CD LYS A 3 17.102 -11.897 6.802 1.00 0.00 C ATOM 54 CE LYS A 3 17.141 -13.430 6.850 1.00 0.00 C ATOM 55 NZ LYS A 3 17.478 -14.010 5.522 1.00 0.00 N ATOM 0 H LYS A 3 15.901 -8.746 9.014 1.00 0.00 H new ATOM 0 HA LYS A 3 15.340 -9.637 6.418 1.00 0.00 H new ATOM 0 HB2 LYS A 3 14.833 -10.800 9.207 1.00 0.00 H new ATOM 0 HB3 LYS A 3 14.568 -11.720 7.739 1.00 0.00 H new ATOM 0 HG2 LYS A 3 17.254 -10.433 8.381 1.00 0.00 H new ATOM 0 HG3 LYS A 3 16.834 -12.041 8.939 1.00 0.00 H new ATOM 0 HD2 LYS A 3 16.423 -11.572 6.014 1.00 0.00 H new ATOM 0 HD3 LYS A 3 18.090 -11.513 6.549 1.00 0.00 H new ATOM 0 HE2 LYS A 3 17.877 -13.753 7.586 1.00 0.00 H new ATOM 0 HE3 LYS A 3 16.173 -13.809 7.179 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 17.496 -15.048 5.591 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 16.762 -13.721 4.825 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 18.412 -13.667 5.220 1.00 0.00 H new ATOM 69 N ASN A 4 12.656 -8.689 7.984 1.00 0.00 N ATOM 70 CA ASN A 4 11.230 -8.381 7.821 1.00 0.00 C ATOM 71 C ASN A 4 10.958 -7.087 7.021 1.00 0.00 C ATOM 72 O ASN A 4 9.800 -6.733 6.810 1.00 0.00 O ATOM 73 CB ASN A 4 10.551 -8.367 9.204 1.00 0.00 C ATOM 74 CG ASN A 4 10.522 -9.738 9.864 1.00 0.00 C ATOM 75 OD1 ASN A 4 11.062 -9.944 10.942 1.00 0.00 O ATOM 76 ND2 ASN A 4 9.890 -10.714 9.254 1.00 0.00 N ATOM 0 H ASN A 4 13.064 -8.261 8.815 1.00 0.00 H new ATOM 0 HA ASN A 4 10.790 -9.171 7.212 1.00 0.00 H new ATOM 0 HB2 ASN A 4 11.077 -7.668 9.854 1.00 0.00 H new ATOM 0 HB3 ASN A 4 9.531 -7.999 9.098 1.00 0.00 H new ATOM 0 HD21 ASN A 4 9.850 -11.640 9.679 1.00 0.00 H new ATOM 0 HD22 ASN A 4 9.439 -10.546 8.355 1.00 0.00 H new ATOM 83 N TRP A 5 11.988 -6.386 6.528 1.00 0.00 N ATOM 84 CA TRP A 5 11.808 -5.198 5.679 1.00 0.00 C ATOM 85 C TRP A 5 11.184 -5.534 4.309 1.00 0.00 C ATOM 86 O TRP A 5 10.377 -4.767 3.781 1.00 0.00 O ATOM 87 CB TRP A 5 13.155 -4.483 5.519 1.00 0.00 C ATOM 88 CG TRP A 5 13.050 -3.044 5.124 1.00 0.00 C ATOM 89 CD1 TRP A 5 13.172 -2.549 3.870 1.00 0.00 C ATOM 90 CD2 TRP A 5 12.765 -1.901 5.987 1.00 0.00 C ATOM 91 NE1 TRP A 5 12.987 -1.177 3.901 1.00 0.00 N ATOM 92 CE2 TRP A 5 12.726 -0.726 5.178 1.00 0.00 C ATOM 93 CE3 TRP A 5 12.526 -1.740 7.370 1.00 0.00 C ATOM 94 CZ2 TRP A 5 12.465 0.544 5.714 1.00 0.00 C ATOM 95 CZ3 TRP A 5 12.263 -0.470 7.919 1.00 0.00 C ATOM 96 CH2 TRP A 5 12.232 0.671 7.095 1.00 0.00 C ATOM 0 H TRP A 5 12.964 -6.624 6.704 1.00 0.00 H new ATOM 0 HA TRP A 5 11.099 -4.533 6.173 1.00 0.00 H new ATOM 0 HB2 TRP A 5 13.701 -4.550 6.460 1.00 0.00 H new ATOM 0 HB3 TRP A 5 13.745 -5.010 4.770 1.00 0.00 H new ATOM 0 HD1 TRP A 5 13.381 -3.132 2.985 1.00 0.00 H new ATOM 0 HE1 TRP A 5 13.038 -0.574 3.080 1.00 0.00 H new ATOM 0 HE3 TRP A 5 12.545 -2.605 8.017 1.00 0.00 H new ATOM 0 HZ2 TRP A 5 12.443 1.414 5.074 1.00 0.00 H new ATOM 0 HZ3 TRP A 5 12.084 -0.371 8.979 1.00 0.00 H new ATOM 0 HH2 TRP A 5 12.030 1.642 7.523 1.00 0.00 H new ATOM 107 N PHE A 6 11.516 -6.707 3.753 1.00 0.00 N ATOM 108 CA PHE A 6 10.969 -7.232 2.493 1.00 0.00 C ATOM 109 C PHE A 6 9.533 -7.795 2.612 1.00 0.00 C ATOM 110 O PHE A 6 8.906 -8.086 1.592 1.00 0.00 O ATOM 111 CB PHE A 6 11.922 -8.315 1.940 1.00 0.00 C ATOM 112 CG PHE A 6 12.391 -8.126 0.503 1.00 0.00 C ATOM 113 CD1 PHE A 6 11.500 -7.738 -0.520 1.00 0.00 C ATOM 114 CD2 PHE A 6 13.739 -8.378 0.181 1.00 0.00 C ATOM 115 CE1 PHE A 6 11.955 -7.600 -1.845 1.00 0.00 C ATOM 116 CE2 PHE A 6 14.193 -8.247 -1.144 1.00 0.00 C ATOM 117 CZ PHE A 6 13.301 -7.857 -2.158 1.00 0.00 C ATOM 0 H PHE A 6 12.194 -7.337 4.181 1.00 0.00 H new ATOM 0 HA PHE A 6 10.897 -6.388 1.807 1.00 0.00 H new ATOM 0 HB2 PHE A 6 12.800 -8.360 2.584 1.00 0.00 H new ATOM 0 HB3 PHE A 6 11.423 -9.281 2.013 1.00 0.00 H new ATOM 0 HD1 PHE A 6 10.463 -7.546 -0.285 1.00 0.00 H new ATOM 0 HD2 PHE A 6 14.429 -8.674 0.957 1.00 0.00 H new ATOM 0 HE1 PHE A 6 11.269 -7.296 -2.622 1.00 0.00 H new ATOM 0 HE2 PHE A 6 15.227 -8.446 -1.382 1.00 0.00 H new ATOM 0 HZ PHE A 6 13.649 -7.755 -3.175 1.00 0.00 H new ATOM 127 N ASP A 7 8.987 -7.961 3.823 1.00 0.00 N ATOM 128 CA ASP A 7 7.597 -8.392 4.038 1.00 0.00 C ATOM 129 C ASP A 7 6.612 -7.278 3.646 1.00 0.00 C ATOM 130 O ASP A 7 6.225 -6.445 4.475 1.00 0.00 O ATOM 131 CB ASP A 7 7.363 -8.846 5.490 1.00 0.00 C ATOM 132 CG ASP A 7 7.891 -10.258 5.775 1.00 0.00 C ATOM 133 OD1 ASP A 7 7.464 -11.215 5.086 1.00 0.00 O ATOM 134 OD2 ASP A 7 8.695 -10.421 6.722 1.00 0.00 O ATOM 0 H ASP A 7 9.500 -7.799 4.689 1.00 0.00 H new ATOM 0 HA ASP A 7 7.416 -9.252 3.393 1.00 0.00 H new ATOM 0 HB2 ASP A 7 7.846 -8.141 6.166 1.00 0.00 H new ATOM 0 HB3 ASP A 7 6.295 -8.814 5.706 1.00 0.00 H new ATOM 139 N ILE A 8 6.184 -7.275 2.376 1.00 0.00 N ATOM 140 CA ILE A 8 5.310 -6.244 1.787 1.00 0.00 C ATOM 141 C ILE A 8 4.000 -6.047 2.563 1.00 0.00 C ATOM 142 O ILE A 8 3.422 -4.964 2.533 1.00 0.00 O ATOM 143 CB ILE A 8 5.041 -6.487 0.282 1.00 0.00 C ATOM 144 CG1 ILE A 8 4.077 -7.667 0.018 1.00 0.00 C ATOM 145 CG2 ILE A 8 6.368 -6.676 -0.476 1.00 0.00 C ATOM 146 CD1 ILE A 8 3.708 -7.849 -1.461 1.00 0.00 C ATOM 0 H ILE A 8 6.440 -8.005 1.712 1.00 0.00 H new ATOM 0 HA ILE A 8 5.867 -5.311 1.873 1.00 0.00 H new ATOM 0 HB ILE A 8 4.538 -5.597 -0.096 1.00 0.00 H new ATOM 0 HG12 ILE A 8 4.534 -8.586 0.384 1.00 0.00 H new ATOM 0 HG13 ILE A 8 3.164 -7.514 0.594 1.00 0.00 H new ATOM 0 HG21 ILE A 8 6.162 -6.846 -1.533 1.00 0.00 H new ATOM 0 HG22 ILE A 8 6.981 -5.782 -0.365 1.00 0.00 H new ATOM 0 HG23 ILE A 8 6.901 -7.534 -0.068 1.00 0.00 H new ATOM 0 HD11 ILE A 8 3.029 -8.696 -1.565 1.00 0.00 H new ATOM 0 HD12 ILE A 8 3.220 -6.946 -1.828 1.00 0.00 H new ATOM 0 HD13 ILE A 8 4.612 -8.035 -2.041 1.00 0.00 H new ATOM 158 N THR A 9 3.555 -7.065 3.310 1.00 0.00 N ATOM 159 CA THR A 9 2.362 -7.030 4.171 1.00 0.00 C ATOM 160 C THR A 9 2.382 -5.916 5.231 1.00 0.00 C ATOM 161 O THR A 9 1.318 -5.491 5.682 1.00 0.00 O ATOM 162 CB THR A 9 2.101 -8.416 4.790 1.00 0.00 C ATOM 163 OG1 THR A 9 0.785 -8.518 5.290 1.00 0.00 O ATOM 164 CG2 THR A 9 3.074 -8.789 5.910 1.00 0.00 C ATOM 0 H THR A 9 4.030 -7.967 3.334 1.00 0.00 H new ATOM 0 HA THR A 9 1.524 -6.775 3.523 1.00 0.00 H new ATOM 0 HB THR A 9 2.253 -9.116 3.969 1.00 0.00 H new ATOM 0 HG1 THR A 9 0.649 -9.409 5.675 1.00 0.00 H new ATOM 0 HG21 THR A 9 2.825 -9.778 6.294 1.00 0.00 H new ATOM 0 HG22 THR A 9 4.092 -8.797 5.520 1.00 0.00 H new ATOM 0 HG23 THR A 9 3.000 -8.058 6.715 1.00 0.00 H new ATOM 172 N ASN A 10 3.559 -5.401 5.611 1.00 0.00 N ATOM 173 CA ASN A 10 3.680 -4.266 6.534 1.00 0.00 C ATOM 174 C ASN A 10 3.123 -2.978 5.898 1.00 0.00 C ATOM 175 O ASN A 10 2.296 -2.290 6.503 1.00 0.00 O ATOM 176 CB ASN A 10 5.150 -4.087 6.962 1.00 0.00 C ATOM 177 CG ASN A 10 5.469 -4.883 8.215 1.00 0.00 C ATOM 178 OD1 ASN A 10 5.289 -4.418 9.333 1.00 0.00 O ATOM 179 ND2 ASN A 10 5.936 -6.103 8.082 1.00 0.00 N ATOM 0 H ASN A 10 4.456 -5.761 5.286 1.00 0.00 H new ATOM 0 HA ASN A 10 3.086 -4.474 7.424 1.00 0.00 H new ATOM 0 HB2 ASN A 10 5.807 -4.404 6.152 1.00 0.00 H new ATOM 0 HB3 ASN A 10 5.351 -3.031 7.140 1.00 0.00 H new ATOM 0 HD21 ASN A 10 6.148 -6.661 8.909 1.00 0.00 H new ATOM 0 HD22 ASN A 10 6.087 -6.493 7.152 1.00 0.00 H new ATOM 186 N TRP A 11 3.569 -2.652 4.681 1.00 0.00 N ATOM 187 CA TRP A 11 3.165 -1.460 3.924 1.00 0.00 C ATOM 188 C TRP A 11 2.016 -1.676 2.919 1.00 0.00 C ATOM 189 O TRP A 11 1.538 -0.707 2.328 1.00 0.00 O ATOM 190 CB TRP A 11 4.405 -0.788 3.319 1.00 0.00 C ATOM 191 CG TRP A 11 5.346 -1.656 2.541 1.00 0.00 C ATOM 192 CD1 TRP A 11 6.459 -2.240 3.041 1.00 0.00 C ATOM 193 CD2 TRP A 11 5.316 -1.991 1.123 1.00 0.00 C ATOM 194 NE1 TRP A 11 7.129 -2.899 2.026 1.00 0.00 N ATOM 195 CE2 TRP A 11 6.480 -2.757 0.817 1.00 0.00 C ATOM 196 CE3 TRP A 11 4.438 -1.697 0.060 1.00 0.00 C ATOM 197 CZ2 TRP A 11 6.767 -3.190 -0.486 1.00 0.00 C ATOM 198 CZ3 TRP A 11 4.707 -2.143 -1.249 1.00 0.00 C ATOM 199 CH2 TRP A 11 5.870 -2.885 -1.525 1.00 0.00 C ATOM 0 H TRP A 11 4.243 -3.229 4.178 1.00 0.00 H new ATOM 0 HA TRP A 11 2.712 -0.770 4.636 1.00 0.00 H new ATOM 0 HB2 TRP A 11 4.068 0.015 2.664 1.00 0.00 H new ATOM 0 HB3 TRP A 11 4.966 -0.324 4.130 1.00 0.00 H new ATOM 0 HD1 TRP A 11 6.775 -2.198 4.073 1.00 0.00 H new ATOM 0 HE1 TRP A 11 7.994 -3.424 2.155 1.00 0.00 H new ATOM 0 HE3 TRP A 11 3.545 -1.121 0.252 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 7.667 -3.751 -0.689 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 4.016 -1.914 -2.046 1.00 0.00 H new ATOM 0 HH2 TRP A 11 6.073 -3.219 -2.532 1.00 0.00 H new ATOM 210 N LEU A 12 1.490 -2.901 2.776 1.00 0.00 N ATOM 211 CA LEU A 12 0.325 -3.225 1.933 1.00 0.00 C ATOM 212 C LEU A 12 -0.910 -2.379 2.271 1.00 0.00 C ATOM 213 O LEU A 12 -1.739 -2.124 1.397 1.00 0.00 O ATOM 214 CB LEU A 12 -0.050 -4.723 2.056 1.00 0.00 C ATOM 215 CG LEU A 12 0.362 -5.628 0.877 1.00 0.00 C ATOM 216 CD1 LEU A 12 -0.142 -7.059 1.098 1.00 0.00 C ATOM 217 CD2 LEU A 12 -0.255 -5.164 -0.450 1.00 0.00 C ATOM 0 H LEU A 12 1.871 -3.717 3.255 1.00 0.00 H new ATOM 0 HA LEU A 12 0.626 -2.995 0.911 1.00 0.00 H new ATOM 0 HB2 LEU A 12 0.405 -5.116 2.965 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -1.130 -4.796 2.183 1.00 0.00 H new ATOM 0 HG LEU A 12 1.450 -5.580 0.829 1.00 0.00 H new ATOM 0 HD11 LEU A 12 0.157 -7.684 0.257 1.00 0.00 H new ATOM 0 HD12 LEU A 12 0.287 -7.458 2.017 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -1.229 -7.054 1.177 1.00 0.00 H new ATOM 0 HD21 LEU A 12 0.063 -5.831 -1.252 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -1.342 -5.182 -0.372 1.00 0.00 H new ATOM 0 HD23 LEU A 12 0.076 -4.149 -0.670 1.00 0.00 H new ATOM 229 N TRP A 13 -1.029 -1.921 3.520 1.00 0.00 N ATOM 230 CA TRP A 13 -2.145 -1.082 3.960 1.00 0.00 C ATOM 231 C TRP A 13 -2.201 0.247 3.203 1.00 0.00 C ATOM 232 O TRP A 13 -3.254 0.617 2.685 1.00 0.00 O ATOM 233 CB TRP A 13 -2.063 -0.840 5.468 1.00 0.00 C ATOM 234 CG TRP A 13 -3.268 -0.129 6.002 1.00 0.00 C ATOM 235 CD1 TRP A 13 -4.481 -0.690 6.214 1.00 0.00 C ATOM 236 CD2 TRP A 13 -3.423 1.292 6.303 1.00 0.00 C ATOM 237 NE1 TRP A 13 -5.374 0.284 6.625 1.00 0.00 N ATOM 238 CE2 TRP A 13 -4.776 1.526 6.687 1.00 0.00 C ATOM 239 CE3 TRP A 13 -2.561 2.409 6.265 1.00 0.00 C ATOM 240 CZ2 TRP A 13 -5.253 2.805 7.016 1.00 0.00 C ATOM 241 CZ3 TRP A 13 -3.025 3.695 6.596 1.00 0.00 C ATOM 242 CH2 TRP A 13 -4.365 3.895 6.974 1.00 0.00 C ATOM 0 H TRP A 13 -0.352 -2.123 4.256 1.00 0.00 H new ATOM 0 HA TRP A 13 -3.067 -1.618 3.734 1.00 0.00 H new ATOM 0 HB2 TRP A 13 -1.953 -1.796 5.980 1.00 0.00 H new ATOM 0 HB3 TRP A 13 -1.171 -0.254 5.691 1.00 0.00 H new ATOM 0 HD1 TRP A 13 -4.716 -1.736 6.083 1.00 0.00 H new ATOM 0 HE1 TRP A 13 -6.352 0.106 6.854 1.00 0.00 H new ATOM 0 HE3 TRP A 13 -1.529 2.274 5.977 1.00 0.00 H new ATOM 0 HZ2 TRP A 13 -6.286 2.950 7.297 1.00 0.00 H new ATOM 0 HZ3 TRP A 13 -2.347 4.535 6.560 1.00 0.00 H new ATOM 0 HH2 TRP A 13 -4.712 4.885 7.232 1.00 0.00 H new ATOM 253 N TYR A 14 -1.063 0.936 3.072 1.00 0.00 N ATOM 254 CA TYR A 14 -0.944 2.167 2.285 1.00 0.00 C ATOM 255 C TYR A 14 -1.221 1.918 0.794 1.00 0.00 C ATOM 256 O TYR A 14 -1.766 2.791 0.119 1.00 0.00 O ATOM 257 CB TYR A 14 0.450 2.785 2.465 1.00 0.00 C ATOM 258 CG TYR A 14 0.905 2.900 3.908 1.00 0.00 C ATOM 259 CD1 TYR A 14 0.392 3.908 4.748 1.00 0.00 C ATOM 260 CD2 TYR A 14 1.826 1.967 4.418 1.00 0.00 C ATOM 261 CE1 TYR A 14 0.796 3.974 6.097 1.00 0.00 C ATOM 262 CE2 TYR A 14 2.231 2.021 5.764 1.00 0.00 C ATOM 263 CZ TYR A 14 1.715 3.029 6.609 1.00 0.00 C ATOM 264 OH TYR A 14 2.107 3.082 7.913 1.00 0.00 O ATOM 0 H TYR A 14 -0.189 0.651 3.514 1.00 0.00 H new ATOM 0 HA TYR A 14 -1.696 2.865 2.653 1.00 0.00 H new ATOM 0 HB2 TYR A 14 1.174 2.183 1.916 1.00 0.00 H new ATOM 0 HB3 TYR A 14 0.454 3.778 2.016 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -0.311 4.630 4.359 1.00 0.00 H new ATOM 0 HD2 TYR A 14 2.226 1.202 3.770 1.00 0.00 H new ATOM 0 HE1 TYR A 14 0.403 4.747 6.740 1.00 0.00 H new ATOM 0 HE2 TYR A 14 2.933 1.296 6.149 1.00 0.00 H new ATOM 0 HH TYR A 14 2.740 2.356 8.094 1.00 0.00 H new ATOM 274 N ILE A 15 -0.900 0.720 0.284 1.00 0.00 N ATOM 275 CA ILE A 15 -1.202 0.330 -1.104 1.00 0.00 C ATOM 276 C ILE A 15 -2.711 0.148 -1.303 1.00 0.00 C ATOM 277 O ILE A 15 -3.263 0.691 -2.257 1.00 0.00 O ATOM 278 CB ILE A 15 -0.410 -0.918 -1.558 1.00 0.00 C ATOM 279 CG1 ILE A 15 1.103 -0.826 -1.261 1.00 0.00 C ATOM 280 CG2 ILE A 15 -0.635 -1.166 -3.060 1.00 0.00 C ATOM 281 CD1 ILE A 15 1.817 0.425 -1.796 1.00 0.00 C ATOM 0 H ILE A 15 -0.424 -0.006 0.820 1.00 0.00 H new ATOM 0 HA ILE A 15 -0.872 1.147 -1.745 1.00 0.00 H new ATOM 0 HB ILE A 15 -0.792 -1.757 -0.975 1.00 0.00 H new ATOM 0 HG12 ILE A 15 1.245 -0.868 -0.181 1.00 0.00 H new ATOM 0 HG13 ILE A 15 1.590 -1.706 -1.681 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -0.074 -2.047 -3.371 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -1.697 -1.327 -3.247 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -0.294 -0.300 -3.627 1.00 0.00 H new ATOM 0 HD11 ILE A 15 2.873 0.383 -1.529 1.00 0.00 H new ATOM 0 HD12 ILE A 15 1.718 0.465 -2.881 1.00 0.00 H new ATOM 0 HD13 ILE A 15 1.367 1.316 -1.358 1.00 0.00 H new ATOM 293 N LYS A 16 -3.410 -0.564 -0.409 1.00 0.00 N ATOM 294 CA LYS A 16 -4.878 -0.690 -0.476 1.00 0.00 C ATOM 295 C LYS A 16 -5.567 0.668 -0.286 1.00 0.00 C ATOM 296 O LYS A 16 -6.480 1.011 -1.039 1.00 0.00 O ATOM 297 CB LYS A 16 -5.399 -1.743 0.518 1.00 0.00 C ATOM 298 CG LYS A 16 -6.082 -2.881 -0.259 1.00 0.00 C ATOM 299 CD LYS A 16 -6.906 -3.768 0.674 1.00 0.00 C ATOM 300 CE LYS A 16 -7.581 -4.890 -0.124 1.00 0.00 C ATOM 301 NZ LYS A 16 -8.466 -5.721 0.736 1.00 0.00 N ATOM 0 H LYS A 16 -2.984 -1.064 0.372 1.00 0.00 H new ATOM 0 HA LYS A 16 -5.133 -1.041 -1.476 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -4.575 -2.137 1.113 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -6.104 -1.287 1.212 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -6.727 -2.462 -1.031 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -5.328 -3.483 -0.766 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -6.263 -4.195 1.444 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -7.661 -3.170 1.184 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -8.165 -4.458 -0.937 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -6.819 -5.522 -0.580 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -8.905 -6.469 0.162 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -7.904 -6.153 1.497 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -9.208 -5.122 1.151 1.00 0.00 H new ATOM 315 N LEU A 17 -5.100 1.467 0.678 1.00 0.00 N ATOM 316 CA LEU A 17 -5.587 2.827 0.929 1.00 0.00 C ATOM 317 C LEU A 17 -5.337 3.783 -0.247 1.00 0.00 C ATOM 318 O LEU A 17 -6.151 4.679 -0.451 1.00 0.00 O ATOM 319 CB LEU A 17 -5.007 3.366 2.247 1.00 0.00 C ATOM 320 CG LEU A 17 -5.549 4.773 2.593 1.00 0.00 C ATOM 321 CD1 LEU A 17 -6.062 4.857 4.023 1.00 0.00 C ATOM 322 CD2 LEU A 17 -4.474 5.846 2.412 1.00 0.00 C ATOM 0 H LEU A 17 -4.359 1.181 1.318 1.00 0.00 H new ATOM 0 HA LEU A 17 -6.671 2.771 1.028 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -5.248 2.677 3.056 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -3.920 3.405 2.174 1.00 0.00 H new ATOM 0 HG LEU A 17 -6.375 4.949 1.904 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -6.432 5.864 4.218 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -6.871 4.140 4.162 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -5.251 4.628 4.714 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -4.888 6.822 2.664 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -3.630 5.630 3.068 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -4.136 5.851 1.376 1.00 0.00 H new ATOM 334 N PHE A 18 -4.294 3.598 -1.060 1.00 0.00 N ATOM 335 CA PHE A 18 -4.070 4.416 -2.258 1.00 0.00 C ATOM 336 C PHE A 18 -5.322 4.460 -3.150 1.00 0.00 C ATOM 337 O PHE A 18 -5.720 5.542 -3.564 1.00 0.00 O ATOM 338 CB PHE A 18 -2.822 3.955 -3.028 1.00 0.00 C ATOM 339 CG PHE A 18 -2.573 4.660 -4.355 1.00 0.00 C ATOM 340 CD1 PHE A 18 -2.712 6.059 -4.482 1.00 0.00 C ATOM 341 CD2 PHE A 18 -2.193 3.900 -5.479 1.00 0.00 C ATOM 342 CE1 PHE A 18 -2.455 6.688 -5.714 1.00 0.00 C ATOM 343 CE2 PHE A 18 -1.946 4.529 -6.713 1.00 0.00 C ATOM 344 CZ PHE A 18 -2.074 5.924 -6.830 1.00 0.00 C ATOM 0 H PHE A 18 -3.584 2.882 -0.909 1.00 0.00 H new ATOM 0 HA PHE A 18 -3.879 5.438 -1.931 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -1.949 4.099 -2.391 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -2.907 2.885 -3.215 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -3.017 6.649 -3.630 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -2.091 2.828 -5.393 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -2.551 7.760 -5.802 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -1.658 3.940 -7.571 1.00 0.00 H new ATOM 0 HZ PHE A 18 -1.880 6.408 -7.776 1.00 0.00 H new ATOM 354 N ILE A 19 -6.008 3.330 -3.361 1.00 0.00 N ATOM 355 CA ILE A 19 -7.277 3.270 -4.108 1.00 0.00 C ATOM 356 C ILE A 19 -8.432 3.971 -3.350 1.00 0.00 C ATOM 357 O ILE A 19 -9.312 4.580 -3.963 1.00 0.00 O ATOM 358 CB ILE A 19 -7.653 1.805 -4.442 1.00 0.00 C ATOM 359 CG1 ILE A 19 -6.623 1.067 -5.335 1.00 0.00 C ATOM 360 CG2 ILE A 19 -9.018 1.770 -5.156 1.00 0.00 C ATOM 361 CD1 ILE A 19 -5.382 0.532 -4.615 1.00 0.00 C ATOM 0 H ILE A 19 -5.698 2.422 -3.016 1.00 0.00 H new ATOM 0 HA ILE A 19 -7.125 3.811 -5.042 1.00 0.00 H new ATOM 0 HB ILE A 19 -7.678 1.285 -3.484 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -7.125 0.232 -5.823 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -6.299 1.748 -6.122 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -9.280 0.738 -5.390 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -9.780 2.199 -4.506 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -8.961 2.348 -6.079 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -4.730 0.035 -5.334 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -4.846 1.360 -4.151 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -5.685 -0.180 -3.847 1.00 0.00 H new ATOM 373 N MET A 20 -8.440 3.922 -2.016 1.00 0.00 N ATOM 374 CA MET A 20 -9.456 4.570 -1.172 1.00 0.00 C ATOM 375 C MET A 20 -9.353 6.106 -1.211 1.00 0.00 C ATOM 376 O MET A 20 -10.365 6.782 -1.407 1.00 0.00 O ATOM 377 CB MET A 20 -9.353 4.061 0.276 1.00 0.00 C ATOM 378 CG MET A 20 -9.611 2.551 0.405 1.00 0.00 C ATOM 379 SD MET A 20 -11.361 2.070 0.393 1.00 0.00 S ATOM 380 CE MET A 20 -11.790 2.480 2.111 1.00 0.00 C ATOM 0 H MET A 20 -7.730 3.423 -1.479 1.00 0.00 H new ATOM 0 HA MET A 20 -10.432 4.302 -1.577 1.00 0.00 H new ATOM 0 HB2 MET A 20 -8.360 4.288 0.665 1.00 0.00 H new ATOM 0 HB3 MET A 20 -10.069 4.600 0.896 1.00 0.00 H new ATOM 0 HG2 MET A 20 -9.103 2.039 -0.413 1.00 0.00 H new ATOM 0 HG3 MET A 20 -9.159 2.198 1.332 1.00 0.00 H new ATOM 0 HE1 MET A 20 -12.835 2.232 2.294 1.00 0.00 H new ATOM 0 HE2 MET A 20 -11.157 1.909 2.790 1.00 0.00 H new ATOM 0 HE3 MET A 20 -11.635 3.546 2.280 1.00 0.00 H new ATOM 390 N ILE A 21 -8.148 6.670 -1.042 1.00 0.00 N ATOM 391 CA ILE A 21 -7.909 8.127 -1.052 1.00 0.00 C ATOM 392 C ILE A 21 -8.148 8.759 -2.435 1.00 0.00 C ATOM 393 O ILE A 21 -8.722 9.848 -2.517 1.00 0.00 O ATOM 394 CB ILE A 21 -6.519 8.477 -0.458 1.00 0.00 C ATOM 395 CG1 ILE A 21 -6.370 10.004 -0.272 1.00 0.00 C ATOM 396 CG2 ILE A 21 -5.348 7.920 -1.281 1.00 0.00 C ATOM 397 CD1 ILE A 21 -5.161 10.411 0.583 1.00 0.00 C ATOM 0 H ILE A 21 -7.300 6.124 -0.893 1.00 0.00 H new ATOM 0 HA ILE A 21 -8.654 8.578 -0.397 1.00 0.00 H new ATOM 0 HB ILE A 21 -6.474 7.989 0.516 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -6.284 10.473 -1.252 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -7.277 10.394 0.190 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -4.406 8.201 -0.810 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -5.420 6.833 -1.327 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -5.385 8.330 -2.290 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -5.124 11.497 0.668 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -5.254 9.973 1.577 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -4.245 10.053 0.112 1.00 0.00 H new ATOM 409 N VAL A 22 -7.768 8.081 -3.528 1.00 0.00 N ATOM 410 CA VAL A 22 -8.041 8.544 -4.906 1.00 0.00 C ATOM 411 C VAL A 22 -9.513 8.433 -5.308 1.00 0.00 C ATOM 412 O VAL A 22 -9.992 9.265 -6.076 1.00 0.00 O ATOM 413 CB VAL A 22 -7.199 7.790 -5.956 1.00 0.00 C ATOM 414 CG1 VAL A 22 -5.707 8.029 -5.771 1.00 0.00 C ATOM 415 CG2 VAL A 22 -7.494 6.296 -6.018 1.00 0.00 C ATOM 0 H VAL A 22 -7.263 7.196 -3.487 1.00 0.00 H new ATOM 0 HA VAL A 22 -7.762 9.598 -4.892 1.00 0.00 H new ATOM 0 HB VAL A 22 -7.502 8.211 -6.915 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -5.153 7.479 -6.532 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -5.495 9.094 -5.866 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -5.403 7.686 -4.782 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -6.865 5.832 -6.778 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -7.285 5.843 -5.049 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -8.543 6.142 -6.272 1.00 0.00 H new ATOM 425 N GLY A 23 -10.219 7.398 -4.838 1.00 0.00 N ATOM 426 CA GLY A 23 -11.528 6.946 -5.319 1.00 0.00 C ATOM 427 C GLY A 23 -11.613 6.867 -6.848 1.00 0.00 C ATOM 428 O GLY A 23 -11.204 5.873 -7.450 1.00 0.00 O ATOM 0 H GLY A 23 -9.873 6.823 -4.070 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -11.744 5.964 -4.898 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -12.297 7.626 -4.953 1.00 0.00 H new ATOM 432 N GLY A 24 -12.105 7.930 -7.487 1.00 0.00 N ATOM 433 CA GLY A 24 -12.238 8.037 -8.944 1.00 0.00 C ATOM 434 C GLY A 24 -10.912 8.179 -9.710 1.00 0.00 C ATOM 435 O GLY A 24 -10.845 7.772 -10.872 1.00 0.00 O ATOM 0 H GLY A 24 -12.431 8.762 -6.995 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -12.760 7.153 -9.312 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -12.867 8.897 -9.174 1.00 0.00 H new ATOM 439 N LEU A 25 -9.845 8.710 -9.090 1.00 0.00 N ATOM 440 CA LEU A 25 -8.541 8.899 -9.762 1.00 0.00 C ATOM 441 C LEU A 25 -7.705 7.602 -9.862 1.00 0.00 C ATOM 442 O LEU A 25 -6.602 7.630 -10.405 1.00 0.00 O ATOM 443 CB LEU A 25 -7.702 10.047 -9.144 1.00 0.00 C ATOM 444 CG LEU A 25 -8.446 11.265 -8.572 1.00 0.00 C ATOM 445 CD1 LEU A 25 -7.439 12.252 -7.980 1.00 0.00 C ATOM 446 CD2 LEU A 25 -9.277 11.996 -9.628 1.00 0.00 C ATOM 0 H LEU A 25 -9.857 9.019 -8.118 1.00 0.00 H new ATOM 0 HA LEU A 25 -8.799 9.191 -10.780 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -7.095 9.622 -8.345 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -7.015 10.406 -9.910 1.00 0.00 H new ATOM 0 HG LEU A 25 -9.125 10.890 -7.807 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -7.969 13.114 -7.575 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -6.877 11.765 -7.183 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -6.752 12.582 -8.759 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -9.781 12.847 -9.170 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -8.623 12.348 -10.426 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -10.020 11.314 -10.042 1.00 0.00 H new ATOM 458 N VAL A 26 -8.215 6.460 -9.372 1.00 0.00 N ATOM 459 CA VAL A 26 -7.542 5.139 -9.350 1.00 0.00 C ATOM 460 C VAL A 26 -6.950 4.713 -10.698 1.00 0.00 C ATOM 461 O VAL A 26 -5.906 4.060 -10.754 1.00 0.00 O ATOM 462 CB VAL A 26 -8.507 4.057 -8.810 1.00 0.00 C ATOM 463 CG1 VAL A 26 -9.713 3.782 -9.718 1.00 0.00 C ATOM 464 CG2 VAL A 26 -7.783 2.738 -8.542 1.00 0.00 C ATOM 0 H VAL A 26 -9.148 6.425 -8.961 1.00 0.00 H new ATOM 0 HA VAL A 26 -6.690 5.245 -8.678 1.00 0.00 H new ATOM 0 HB VAL A 26 -8.887 4.475 -7.877 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -10.339 3.012 -9.268 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -10.293 4.697 -9.839 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -9.364 3.442 -10.693 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -8.494 2.003 -8.164 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -7.340 2.371 -9.468 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -6.998 2.897 -7.803 1.00 0.00 H new ATOM 474 N LYS A 27 -7.598 5.119 -11.793 1.00 0.00 N ATOM 475 CA LYS A 27 -7.204 4.846 -13.180 1.00 0.00 C ATOM 476 C LYS A 27 -5.878 5.505 -13.600 1.00 0.00 C ATOM 477 O LYS A 27 -5.279 5.062 -14.584 1.00 0.00 O ATOM 478 CB LYS A 27 -8.364 5.288 -14.097 1.00 0.00 C ATOM 479 CG LYS A 27 -8.746 4.199 -15.108 1.00 0.00 C ATOM 480 CD LYS A 27 -9.982 4.623 -15.916 1.00 0.00 C ATOM 481 CE LYS A 27 -10.727 3.393 -16.446 1.00 0.00 C ATOM 482 NZ LYS A 27 -11.990 3.778 -17.128 1.00 0.00 N ATOM 0 H LYS A 27 -8.452 5.673 -11.735 1.00 0.00 H new ATOM 0 HA LYS A 27 -7.016 3.776 -13.273 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -9.233 5.537 -13.488 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -8.078 6.194 -14.631 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -7.910 4.012 -15.782 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -8.949 3.264 -14.585 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -10.648 5.216 -15.289 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -9.679 5.258 -16.748 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -10.087 2.849 -17.141 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -10.949 2.716 -15.621 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -12.471 2.924 -17.476 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -12.609 4.275 -16.457 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -11.775 4.404 -17.930 1.00 0.00 H new ATOM 496 N LYS A 28 -5.433 6.549 -12.885 1.00 0.00 N ATOM 497 CA LYS A 28 -4.257 7.396 -13.171 1.00 0.00 C ATOM 498 C LYS A 28 -3.425 7.665 -11.900 1.00 0.00 C ATOM 499 O LYS A 28 -2.817 6.694 -11.395 1.00 0.00 O ATOM 500 CB LYS A 28 -4.716 8.688 -13.892 1.00 0.00 C ATOM 501 CG LYS A 28 -5.446 8.471 -15.233 1.00 0.00 C ATOM 502 CD LYS A 28 -4.548 7.840 -16.312 1.00 0.00 C ATOM 503 CE LYS A 28 -5.340 7.351 -17.532 1.00 0.00 C ATOM 504 NZ LYS A 28 -5.758 8.463 -18.427 1.00 0.00 N ATOM 505 OXT LYS A 28 -3.339 8.824 -11.433 1.00 0.00 O ATOM 0 H LYS A 28 -5.914 6.846 -12.036 1.00 0.00 H new ATOM 0 HA LYS A 28 -3.583 6.866 -13.844 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -5.375 9.242 -13.224 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -3.842 9.315 -14.070 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -6.312 7.830 -15.069 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -5.821 9.428 -15.595 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -3.807 8.571 -16.635 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -4.002 7.002 -15.879 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -4.731 6.645 -18.096 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -6.224 6.810 -17.194 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -6.289 8.078 -19.234 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -6.362 9.125 -17.899 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -4.916 8.965 -18.774 1.00 0.00 H new TER 519 LYS A 28