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+ 138:sc= 0.018 (180deg=0) USER MOD Single : A 4 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 9 THR OG1 : rot -60:sc= 0.405 USER MOD Single : A 10 ASN : amide:sc= -0.0126 X(o=-0.013,f=-0.21) 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 180:sc= 0 (180deg=0) 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 -13.252 10.959 -15.293 1.00 0.00 N ATOM 2 CA LYS A 1 -14.632 10.408 -15.424 1.00 0.00 C ATOM 3 C LYS A 1 -14.692 8.925 -15.024 1.00 0.00 C ATOM 4 O LYS A 1 -15.288 8.604 -13.994 1.00 0.00 O ATOM 5 CB LYS A 1 -15.257 10.683 -16.811 1.00 0.00 C ATOM 6 CG LYS A 1 -16.772 10.920 -16.680 1.00 0.00 C ATOM 7 CD LYS A 1 -17.494 10.753 -18.024 1.00 0.00 C ATOM 8 CE LYS A 1 -18.987 11.096 -17.890 1.00 0.00 C ATOM 9 NZ LYS A 1 -19.866 9.906 -18.055 1.00 0.00 N ATOM 0 H1 LYS A 1 -13.250 11.961 -15.571 1.00 0.00 H new ATOM 0 H2 LYS A 1 -12.936 10.873 -14.306 1.00 0.00 H new ATOM 0 H3 LYS A 1 -12.606 10.427 -15.910 1.00 0.00 H new ATOM 0 HA LYS A 1 -15.256 10.949 -14.713 1.00 0.00 H new ATOM 0 HB2 LYS A 1 -14.784 11.555 -17.264 1.00 0.00 H new ATOM 0 HB3 LYS A 1 -15.071 9.839 -17.475 1.00 0.00 H new ATOM 0 HG2 LYS A 1 -17.188 10.221 -15.955 1.00 0.00 H new ATOM 0 HG3 LYS A 1 -16.951 11.923 -16.294 1.00 0.00 H new ATOM 0 HD2 LYS A 1 -17.034 11.399 -18.772 1.00 0.00 H new ATOM 0 HD3 LYS A 1 -17.382 9.728 -18.377 1.00 0.00 H new ATOM 0 HE2 LYS A 1 -19.167 11.543 -16.912 1.00 0.00 H new ATOM 0 HE3 LYS A 1 -19.252 11.845 -18.636 1.00 0.00 H new ATOM 0 HZ1 LYS A 1 -20.861 10.193 -17.956 1.00 0.00 H new ATOM 0 HZ2 LYS A 1 -19.717 9.493 -18.998 1.00 0.00 H new ATOM 0 HZ3 LYS A 1 -19.635 9.200 -17.327 1.00 0.00 H new ATOM 25 N LYS A 2 -14.064 8.019 -15.795 1.00 0.00 N ATOM 26 CA LYS A 2 -13.931 6.575 -15.505 1.00 0.00 C ATOM 27 C LYS A 2 -12.464 6.201 -15.250 1.00 0.00 C ATOM 28 O LYS A 2 -11.612 6.367 -16.126 1.00 0.00 O ATOM 29 CB LYS A 2 -14.525 5.706 -16.638 1.00 0.00 C ATOM 30 CG LYS A 2 -16.001 5.327 -16.403 1.00 0.00 C ATOM 31 CD LYS A 2 -16.359 3.961 -17.022 1.00 0.00 C ATOM 32 CE LYS A 2 -16.443 3.969 -18.555 1.00 0.00 C ATOM 33 NZ LYS A 2 -17.822 4.254 -19.035 1.00 0.00 N ATOM 0 H LYS A 2 -13.616 8.281 -16.673 1.00 0.00 H new ATOM 0 HA LYS A 2 -14.503 6.372 -14.599 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -14.441 6.244 -17.582 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -13.934 4.795 -16.736 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -16.201 5.302 -15.332 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -16.644 6.097 -16.830 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -15.613 3.228 -16.714 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -17.316 3.631 -16.618 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -15.759 4.719 -18.952 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -16.117 3.003 -18.941 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -17.835 4.250 -20.075 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -18.472 3.525 -18.678 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -18.124 5.187 -18.688 1.00 0.00 H new ATOM 47 N LYS A 3 -12.180 5.723 -14.034 1.00 0.00 N ATOM 48 CA LYS A 3 -10.873 5.201 -13.584 1.00 0.00 C ATOM 49 C LYS A 3 -10.505 3.897 -14.317 1.00 0.00 C ATOM 50 O LYS A 3 -11.341 3.303 -15.002 1.00 0.00 O ATOM 51 CB LYS A 3 -10.919 5.022 -12.051 1.00 0.00 C ATOM 52 CG LYS A 3 -9.928 5.955 -11.335 1.00 0.00 C ATOM 53 CD LYS A 3 -10.327 6.128 -9.862 1.00 0.00 C ATOM 54 CE LYS A 3 -9.160 6.537 -8.952 1.00 0.00 C ATOM 55 NZ LYS A 3 -8.589 7.865 -9.297 1.00 0.00 N ATOM 0 H LYS A 3 -12.885 5.685 -13.297 1.00 0.00 H new ATOM 0 HA LYS A 3 -10.085 5.912 -13.832 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -11.929 5.221 -11.692 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -10.690 3.987 -11.799 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -8.920 5.545 -11.400 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -9.910 6.926 -11.830 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -11.112 6.881 -9.793 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -10.751 5.192 -9.497 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -9.502 6.553 -7.917 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -8.375 5.783 -9.016 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -8.395 8.397 -8.425 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -7.704 7.735 -9.828 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -9.268 8.394 -9.881 1.00 0.00 H new ATOM 69 N ASN A 4 -9.263 3.434 -14.157 1.00 0.00 N ATOM 70 CA ASN A 4 -8.726 2.231 -14.813 1.00 0.00 C ATOM 71 C ASN A 4 -8.213 1.204 -13.791 1.00 0.00 C ATOM 72 O ASN A 4 -7.801 1.562 -12.684 1.00 0.00 O ATOM 73 CB ASN A 4 -7.603 2.644 -15.786 1.00 0.00 C ATOM 74 CG ASN A 4 -8.100 3.523 -16.923 1.00 0.00 C ATOM 75 OD1 ASN A 4 -8.648 3.051 -17.909 1.00 0.00 O ATOM 76 ND2 ASN A 4 -7.920 4.822 -16.832 1.00 0.00 N ATOM 0 H ASN A 4 -8.582 3.895 -13.553 1.00 0.00 H new ATOM 0 HA ASN A 4 -9.531 1.749 -15.367 1.00 0.00 H new ATOM 0 HB2 ASN A 4 -6.828 3.176 -15.234 1.00 0.00 H new ATOM 0 HB3 ASN A 4 -7.141 1.748 -16.201 1.00 0.00 H new ATOM 0 HD21 ASN A 4 -8.237 5.435 -17.583 1.00 0.00 H new ATOM 0 HD22 ASN A 4 -7.463 5.217 -16.010 1.00 0.00 H new ATOM 83 N TRP A 5 -8.151 -0.070 -14.193 1.00 0.00 N ATOM 84 CA TRP A 5 -7.617 -1.171 -13.376 1.00 0.00 C ATOM 85 C TRP A 5 -6.146 -0.965 -12.968 1.00 0.00 C ATOM 86 O TRP A 5 -5.726 -1.406 -11.900 1.00 0.00 O ATOM 87 CB TRP A 5 -7.791 -2.499 -14.129 1.00 0.00 C ATOM 88 CG TRP A 5 -6.794 -2.754 -15.221 1.00 0.00 C ATOM 89 CD1 TRP A 5 -6.839 -2.250 -16.476 1.00 0.00 C ATOM 90 CD2 TRP A 5 -5.572 -3.553 -15.151 1.00 0.00 C ATOM 91 NE1 TRP A 5 -5.725 -2.669 -17.180 1.00 0.00 N ATOM 92 CE2 TRP A 5 -4.911 -3.475 -16.413 1.00 0.00 C ATOM 93 CE3 TRP A 5 -4.954 -4.332 -14.148 1.00 0.00 C ATOM 94 CZ2 TRP A 5 -3.700 -4.137 -16.669 1.00 0.00 C ATOM 95 CZ3 TRP A 5 -3.742 -5.007 -14.395 1.00 0.00 C ATOM 96 CH2 TRP A 5 -3.115 -4.911 -15.651 1.00 0.00 C ATOM 0 H TRP A 5 -8.476 -0.373 -15.111 1.00 0.00 H new ATOM 0 HA TRP A 5 -8.187 -1.192 -12.447 1.00 0.00 H new ATOM 0 HB2 TRP A 5 -7.733 -3.316 -13.409 1.00 0.00 H new ATOM 0 HB3 TRP A 5 -8.792 -2.524 -14.560 1.00 0.00 H new ATOM 0 HD1 TRP A 5 -7.623 -1.619 -16.867 1.00 0.00 H new ATOM 0 HE1 TRP A 5 -5.530 -2.413 -18.148 1.00 0.00 H new ATOM 0 HE3 TRP A 5 -5.418 -4.412 -13.176 1.00 0.00 H new ATOM 0 HZ2 TRP A 5 -3.224 -4.053 -17.635 1.00 0.00 H new ATOM 0 HZ3 TRP A 5 -3.291 -5.602 -13.615 1.00 0.00 H new ATOM 0 HH2 TRP A 5 -2.186 -5.431 -15.833 1.00 0.00 H new ATOM 107 N PHE A 6 -5.367 -0.243 -13.783 1.00 0.00 N ATOM 108 CA PHE A 6 -3.976 0.115 -13.489 1.00 0.00 C ATOM 109 C PHE A 6 -3.840 1.040 -12.264 1.00 0.00 C ATOM 110 O PHE A 6 -2.849 0.966 -11.541 1.00 0.00 O ATOM 111 CB PHE A 6 -3.329 0.761 -14.730 1.00 0.00 C ATOM 112 CG PHE A 6 -2.055 0.080 -15.201 1.00 0.00 C ATOM 113 CD1 PHE A 6 -0.984 -0.136 -14.310 1.00 0.00 C ATOM 114 CD2 PHE A 6 -1.932 -0.332 -16.543 1.00 0.00 C ATOM 115 CE1 PHE A 6 0.190 -0.769 -14.752 1.00 0.00 C ATOM 116 CE2 PHE A 6 -0.753 -0.958 -16.987 1.00 0.00 C ATOM 117 CZ PHE A 6 0.307 -1.179 -16.092 1.00 0.00 C ATOM 0 H PHE A 6 -5.693 0.115 -14.681 1.00 0.00 H new ATOM 0 HA PHE A 6 -3.452 -0.807 -13.238 1.00 0.00 H new ATOM 0 HB2 PHE A 6 -4.052 0.756 -15.546 1.00 0.00 H new ATOM 0 HB3 PHE A 6 -3.107 1.805 -14.507 1.00 0.00 H new ATOM 0 HD1 PHE A 6 -1.066 0.187 -13.283 1.00 0.00 H new ATOM 0 HD2 PHE A 6 -2.746 -0.167 -17.233 1.00 0.00 H new ATOM 0 HE1 PHE A 6 1.003 -0.941 -14.062 1.00 0.00 H new ATOM 0 HE2 PHE A 6 -0.663 -1.269 -18.017 1.00 0.00 H new ATOM 0 HZ PHE A 6 1.210 -1.663 -16.433 1.00 0.00 H new ATOM 127 N ASP A 7 -4.830 1.898 -11.989 1.00 0.00 N ATOM 128 CA ASP A 7 -4.815 2.767 -10.803 1.00 0.00 C ATOM 129 C ASP A 7 -5.031 1.960 -9.504 1.00 0.00 C ATOM 130 O ASP A 7 -4.527 2.321 -8.441 1.00 0.00 O ATOM 131 CB ASP A 7 -5.877 3.877 -10.957 1.00 0.00 C ATOM 132 CG ASP A 7 -5.426 5.276 -10.480 1.00 0.00 C ATOM 133 OD1 ASP A 7 -4.353 5.424 -9.848 1.00 0.00 O ATOM 134 OD2 ASP A 7 -6.166 6.252 -10.755 1.00 0.00 O ATOM 0 H ASP A 7 -5.657 2.010 -12.575 1.00 0.00 H new ATOM 0 HA ASP A 7 -3.831 3.230 -10.726 1.00 0.00 H new ATOM 0 HB2 ASP A 7 -6.165 3.942 -12.006 1.00 0.00 H new ATOM 0 HB3 ASP A 7 -6.768 3.588 -10.399 1.00 0.00 H new ATOM 139 N ILE A 8 -5.732 0.820 -9.595 1.00 0.00 N ATOM 140 CA ILE A 8 -5.977 -0.109 -8.483 1.00 0.00 C ATOM 141 C ILE A 8 -4.674 -0.759 -7.992 1.00 0.00 C ATOM 142 O ILE A 8 -4.497 -0.914 -6.784 1.00 0.00 O ATOM 143 CB ILE A 8 -7.033 -1.177 -8.863 1.00 0.00 C ATOM 144 CG1 ILE A 8 -8.313 -0.584 -9.496 1.00 0.00 C ATOM 145 CG2 ILE A 8 -7.398 -2.072 -7.662 1.00 0.00 C ATOM 146 CD1 ILE A 8 -9.068 0.420 -8.613 1.00 0.00 C ATOM 0 H ILE A 8 -6.156 0.511 -10.470 1.00 0.00 H new ATOM 0 HA ILE A 8 -6.381 0.474 -7.655 1.00 0.00 H new ATOM 0 HB ILE A 8 -6.556 -1.790 -9.628 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -8.044 -0.092 -10.431 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -8.988 -1.402 -9.749 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -8.141 -2.808 -7.969 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -6.505 -2.585 -7.306 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -7.807 -1.457 -6.860 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -9.950 0.780 -9.143 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -9.375 -0.068 -7.688 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -8.416 1.262 -8.380 1.00 0.00 H new ATOM 158 N THR A 9 -3.727 -1.084 -8.884 1.00 0.00 N ATOM 159 CA THR A 9 -2.428 -1.667 -8.483 1.00 0.00 C ATOM 160 C THR A 9 -1.629 -0.730 -7.571 1.00 0.00 C ATOM 161 O THR A 9 -0.988 -1.194 -6.630 1.00 0.00 O ATOM 162 CB THR A 9 -1.549 -2.117 -9.664 1.00 0.00 C ATOM 163 OG1 THR A 9 -0.934 -1.029 -10.313 1.00 0.00 O ATOM 164 CG2 THR A 9 -2.317 -2.913 -10.721 1.00 0.00 C ATOM 0 H THR A 9 -3.832 -0.955 -9.890 1.00 0.00 H new ATOM 0 HA THR A 9 -2.697 -2.564 -7.926 1.00 0.00 H new ATOM 0 HB THR A 9 -0.796 -2.761 -9.209 1.00 0.00 H new ATOM 0 HG1 THR A 9 -1.622 -0.428 -10.667 1.00 0.00 H new ATOM 0 HG21 THR A 9 -1.639 -3.199 -11.525 1.00 0.00 H new ATOM 0 HG22 THR A 9 -2.739 -3.809 -10.266 1.00 0.00 H new ATOM 0 HG23 THR A 9 -3.121 -2.299 -11.126 1.00 0.00 H new ATOM 172 N ASN A 10 -1.733 0.588 -7.782 1.00 0.00 N ATOM 173 CA ASN A 10 -1.113 1.630 -6.959 1.00 0.00 C ATOM 174 C ASN A 10 -1.580 1.545 -5.489 1.00 0.00 C ATOM 175 O ASN A 10 -0.763 1.546 -4.564 1.00 0.00 O ATOM 176 CB ASN A 10 -1.420 3.009 -7.595 1.00 0.00 C ATOM 177 CG ASN A 10 -0.203 3.913 -7.719 1.00 0.00 C ATOM 178 OD1 ASN A 10 0.723 3.892 -6.919 1.00 0.00 O ATOM 179 ND2 ASN A 10 -0.162 4.745 -8.737 1.00 0.00 N ATOM 0 H ASN A 10 -2.271 0.970 -8.559 1.00 0.00 H new ATOM 0 HA ASN A 10 -0.033 1.485 -6.935 1.00 0.00 H new ATOM 0 HB2 ASN A 10 -1.849 2.855 -8.585 1.00 0.00 H new ATOM 0 HB3 ASN A 10 -2.177 3.515 -6.995 1.00 0.00 H new ATOM 0 HD21 ASN A 10 0.638 5.367 -8.856 1.00 0.00 H new ATOM 0 HD22 ASN A 10 -0.930 4.768 -9.408 1.00 0.00 H new ATOM 186 N TRP A 11 -2.896 1.419 -5.273 1.00 0.00 N ATOM 187 CA TRP A 11 -3.513 1.240 -3.952 1.00 0.00 C ATOM 188 C TRP A 11 -3.243 -0.147 -3.347 1.00 0.00 C ATOM 189 O TRP A 11 -2.935 -0.247 -2.160 1.00 0.00 O ATOM 190 CB TRP A 11 -5.020 1.506 -4.050 1.00 0.00 C ATOM 191 CG TRP A 11 -5.383 2.877 -4.540 1.00 0.00 C ATOM 192 CD1 TRP A 11 -5.992 3.155 -5.715 1.00 0.00 C ATOM 193 CD2 TRP A 11 -5.140 4.170 -3.901 1.00 0.00 C ATOM 194 NE1 TRP A 11 -6.131 4.523 -5.856 1.00 0.00 N ATOM 195 CE2 TRP A 11 -5.621 5.198 -4.768 1.00 0.00 C ATOM 196 CE3 TRP A 11 -4.555 4.584 -2.682 1.00 0.00 C ATOM 197 CZ2 TRP A 11 -5.523 6.561 -4.449 1.00 0.00 C ATOM 198 CZ3 TRP A 11 -4.454 5.950 -2.351 1.00 0.00 C ATOM 199 CH2 TRP A 11 -4.933 6.937 -3.230 1.00 0.00 C ATOM 0 H TRP A 11 -3.578 1.439 -6.031 1.00 0.00 H new ATOM 0 HA TRP A 11 -3.053 1.961 -3.276 1.00 0.00 H new ATOM 0 HB2 TRP A 11 -5.463 0.767 -4.718 1.00 0.00 H new ATOM 0 HB3 TRP A 11 -5.467 1.356 -3.067 1.00 0.00 H new ATOM 0 HD1 TRP A 11 -6.320 2.419 -6.434 1.00 0.00 H new ATOM 0 HE1 TRP A 11 -6.558 4.976 -6.664 1.00 0.00 H new ATOM 0 HE3 TRP A 11 -4.180 3.841 -1.994 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 -5.896 7.311 -5.131 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 -4.004 6.241 -1.413 1.00 0.00 H new ATOM 0 HH2 TRP A 11 -4.848 7.982 -2.969 1.00 0.00 H new ATOM 210 N LEU A 12 -3.308 -1.217 -4.150 1.00 0.00 N ATOM 211 CA LEU A 12 -2.988 -2.587 -3.724 1.00 0.00 C ATOM 212 C LEU A 12 -1.539 -2.730 -3.227 1.00 0.00 C ATOM 213 O LEU A 12 -1.287 -3.477 -2.282 1.00 0.00 O ATOM 214 CB LEU A 12 -3.250 -3.574 -4.876 1.00 0.00 C ATOM 215 CG LEU A 12 -4.738 -3.837 -5.174 1.00 0.00 C ATOM 216 CD1 LEU A 12 -4.862 -4.548 -6.523 1.00 0.00 C ATOM 217 CD2 LEU A 12 -5.388 -4.732 -4.117 1.00 0.00 C ATOM 0 H LEU A 12 -3.589 -1.155 -5.129 1.00 0.00 H new ATOM 0 HA LEU A 12 -3.640 -2.820 -2.882 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -2.775 -3.191 -5.779 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -2.768 -4.523 -4.640 1.00 0.00 H new ATOM 0 HG LEU A 12 -5.244 -2.871 -5.177 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -5.913 -4.737 -6.739 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -4.438 -3.919 -7.306 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -4.323 -5.495 -6.486 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -6.437 -4.890 -4.369 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -4.873 -5.692 -4.087 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -5.318 -4.252 -3.141 1.00 0.00 H new ATOM 229 N TRP A 13 -0.588 -2.000 -3.818 1.00 0.00 N ATOM 230 CA TRP A 13 0.812 -1.996 -3.377 1.00 0.00 C ATOM 231 C TRP A 13 0.971 -1.435 -1.956 1.00 0.00 C ATOM 232 O TRP A 13 1.663 -2.031 -1.127 1.00 0.00 O ATOM 233 CB TRP A 13 1.685 -1.242 -4.395 1.00 0.00 C ATOM 234 CG TRP A 13 3.031 -1.851 -4.644 1.00 0.00 C ATOM 235 CD1 TRP A 13 3.232 -3.104 -5.116 1.00 0.00 C ATOM 236 CD2 TRP A 13 4.360 -1.261 -4.493 1.00 0.00 C ATOM 237 NE1 TRP A 13 4.587 -3.340 -5.243 1.00 0.00 N ATOM 238 CE2 TRP A 13 5.329 -2.238 -4.876 1.00 0.00 C ATOM 239 CE3 TRP A 13 4.850 0.001 -4.087 1.00 0.00 C ATOM 240 CZ2 TRP A 13 6.708 -1.985 -4.845 1.00 0.00 C ATOM 241 CZ3 TRP A 13 6.234 0.267 -4.054 1.00 0.00 C ATOM 242 CH2 TRP A 13 7.163 -0.723 -4.428 1.00 0.00 C ATOM 0 H TRP A 13 -0.767 -1.393 -4.618 1.00 0.00 H new ATOM 0 HA TRP A 13 1.155 -3.030 -3.332 1.00 0.00 H new ATOM 0 HB2 TRP A 13 1.147 -1.185 -5.341 1.00 0.00 H new ATOM 0 HB3 TRP A 13 1.824 -0.219 -4.045 1.00 0.00 H new ATOM 0 HD1 TRP A 13 2.452 -3.811 -5.357 1.00 0.00 H new ATOM 0 HE1 TRP A 13 4.988 -4.220 -5.568 1.00 0.00 H new ATOM 0 HE3 TRP A 13 4.153 0.774 -3.797 1.00 0.00 H new ATOM 0 HZ2 TRP A 13 7.411 -2.751 -5.138 1.00 0.00 H new ATOM 0 HZ3 TRP A 13 6.585 1.239 -3.739 1.00 0.00 H new ATOM 0 HH2 TRP A 13 8.222 -0.513 -4.394 1.00 0.00 H new ATOM 253 N TYR A 14 0.276 -0.335 -1.632 1.00 0.00 N ATOM 254 CA TYR A 14 0.312 0.308 -0.311 1.00 0.00 C ATOM 255 C TYR A 14 -0.094 -0.638 0.841 1.00 0.00 C ATOM 256 O TYR A 14 0.411 -0.511 1.959 1.00 0.00 O ATOM 257 CB TYR A 14 -0.562 1.574 -0.334 1.00 0.00 C ATOM 258 CG TYR A 14 -0.656 2.292 1.001 1.00 0.00 C ATOM 259 CD1 TYR A 14 0.324 3.234 1.373 1.00 0.00 C ATOM 260 CD2 TYR A 14 -1.715 1.993 1.883 1.00 0.00 C ATOM 261 CE1 TYR A 14 0.253 3.868 2.630 1.00 0.00 C ATOM 262 CE2 TYR A 14 -1.783 2.618 3.143 1.00 0.00 C ATOM 263 CZ TYR A 14 -0.799 3.556 3.521 1.00 0.00 C ATOM 264 OH TYR A 14 -0.875 4.156 4.743 1.00 0.00 O ATOM 0 H TYR A 14 -0.338 0.141 -2.293 1.00 0.00 H new ATOM 0 HA TYR A 14 1.347 0.583 -0.108 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -0.162 2.264 -1.077 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -1.566 1.302 -0.659 1.00 0.00 H new ATOM 0 HD1 TYR A 14 1.130 3.470 0.694 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -2.475 1.283 1.592 1.00 0.00 H new ATOM 0 HE1 TYR A 14 1.003 4.592 2.912 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -2.589 2.379 3.821 1.00 0.00 H new ATOM 0 HH TYR A 14 -1.662 3.823 5.222 1.00 0.00 H new ATOM 274 N ILE A 15 -0.939 -1.641 0.570 1.00 0.00 N ATOM 275 CA ILE A 15 -1.335 -2.678 1.539 1.00 0.00 C ATOM 276 C ILE A 15 -0.109 -3.422 2.107 1.00 0.00 C ATOM 277 O ILE A 15 -0.010 -3.623 3.319 1.00 0.00 O ATOM 278 CB ILE A 15 -2.361 -3.656 0.913 1.00 0.00 C ATOM 279 CG1 ILE A 15 -3.552 -2.951 0.218 1.00 0.00 C ATOM 280 CG2 ILE A 15 -2.873 -4.653 1.967 1.00 0.00 C ATOM 281 CD1 ILE A 15 -4.330 -1.949 1.077 1.00 0.00 C ATOM 0 H ILE A 15 -1.376 -1.759 -0.344 1.00 0.00 H new ATOM 0 HA ILE A 15 -1.821 -2.182 2.379 1.00 0.00 H new ATOM 0 HB ILE A 15 -1.824 -4.192 0.130 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -3.177 -2.430 -0.663 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -4.246 -3.714 -0.134 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -3.592 -5.331 1.507 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -2.035 -5.227 2.362 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -3.355 -4.109 2.779 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -5.140 -1.517 0.489 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -4.745 -2.460 1.946 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -3.659 -1.156 1.408 1.00 0.00 H new ATOM 293 N LYS A 16 0.856 -3.792 1.250 1.00 0.00 N ATOM 294 CA LYS A 16 2.138 -4.415 1.640 1.00 0.00 C ATOM 295 C LYS A 16 3.112 -3.414 2.275 1.00 0.00 C ATOM 296 O LYS A 16 3.828 -3.776 3.210 1.00 0.00 O ATOM 297 CB LYS A 16 2.769 -5.113 0.414 1.00 0.00 C ATOM 298 CG LYS A 16 2.575 -6.645 0.419 1.00 0.00 C ATOM 299 CD LYS A 16 3.886 -7.382 0.738 1.00 0.00 C ATOM 300 CE LYS A 16 3.663 -8.899 0.785 1.00 0.00 C ATOM 301 NZ LYS A 16 4.911 -9.628 1.137 1.00 0.00 N ATOM 0 H LYS A 16 0.768 -3.665 0.242 1.00 0.00 H new ATOM 0 HA LYS A 16 1.928 -5.159 2.409 1.00 0.00 H new ATOM 0 HB2 LYS A 16 2.332 -4.701 -0.495 1.00 0.00 H new ATOM 0 HB3 LYS A 16 3.835 -4.888 0.385 1.00 0.00 H new ATOM 0 HG2 LYS A 16 1.818 -6.914 1.155 1.00 0.00 H new ATOM 0 HG3 LYS A 16 2.203 -6.968 -0.553 1.00 0.00 H new ATOM 0 HD2 LYS A 16 4.635 -7.144 -0.017 1.00 0.00 H new ATOM 0 HD3 LYS A 16 4.278 -7.038 1.695 1.00 0.00 H new ATOM 0 HE2 LYS A 16 2.888 -9.130 1.516 1.00 0.00 H new ATOM 0 HE3 LYS A 16 3.301 -9.244 -0.184 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 4.721 -10.650 1.159 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 5.643 -9.427 0.426 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 5.243 -9.317 2.072 1.00 0.00 H new ATOM 315 N LEU A 17 3.118 -2.154 1.828 1.00 0.00 N ATOM 316 CA LEU A 17 3.928 -1.076 2.425 1.00 0.00 C ATOM 317 C LEU A 17 3.590 -0.862 3.909 1.00 0.00 C ATOM 318 O LEU A 17 4.500 -0.657 4.708 1.00 0.00 O ATOM 319 CB LEU A 17 3.757 0.241 1.645 1.00 0.00 C ATOM 320 CG LEU A 17 4.715 0.453 0.460 1.00 0.00 C ATOM 321 CD1 LEU A 17 4.847 -0.732 -0.495 1.00 0.00 C ATOM 322 CD2 LEU A 17 4.279 1.675 -0.349 1.00 0.00 C ATOM 0 H LEU A 17 2.557 -1.846 1.034 1.00 0.00 H new ATOM 0 HA LEU A 17 4.970 -1.388 2.361 1.00 0.00 H new ATOM 0 HB2 LEU A 17 2.734 0.289 1.272 1.00 0.00 H new ATOM 0 HB3 LEU A 17 3.882 1.071 2.341 1.00 0.00 H new ATOM 0 HG LEU A 17 5.695 0.589 0.918 1.00 0.00 H new ATOM 0 HD11 LEU A 17 5.544 -0.480 -1.294 1.00 0.00 H new ATOM 0 HD12 LEU A 17 5.219 -1.599 0.051 1.00 0.00 H new ATOM 0 HD13 LEU A 17 3.872 -0.964 -0.924 1.00 0.00 H new ATOM 0 HD21 LEU A 17 4.962 1.819 -1.186 1.00 0.00 H new ATOM 0 HD22 LEU A 17 3.269 1.519 -0.727 1.00 0.00 H new ATOM 0 HD23 LEU A 17 4.296 2.559 0.289 1.00 0.00 H new ATOM 334 N PHE A 18 2.315 -0.958 4.302 1.00 0.00 N ATOM 335 CA PHE A 18 1.909 -0.874 5.711 1.00 0.00 C ATOM 336 C PHE A 18 2.654 -1.907 6.577 1.00 0.00 C ATOM 337 O PHE A 18 3.182 -1.562 7.634 1.00 0.00 O ATOM 338 CB PHE A 18 0.387 -1.037 5.827 1.00 0.00 C ATOM 339 CG PHE A 18 -0.136 -0.890 7.245 1.00 0.00 C ATOM 340 CD1 PHE A 18 -0.474 0.383 7.745 1.00 0.00 C ATOM 341 CD2 PHE A 18 -0.267 -2.022 8.075 1.00 0.00 C ATOM 342 CE1 PHE A 18 -0.948 0.522 9.062 1.00 0.00 C ATOM 343 CE2 PHE A 18 -0.738 -1.881 9.393 1.00 0.00 C ATOM 344 CZ PHE A 18 -1.083 -0.610 9.885 1.00 0.00 C ATOM 0 H PHE A 18 1.538 -1.096 3.656 1.00 0.00 H new ATOM 0 HA PHE A 18 2.182 0.111 6.091 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -0.098 -0.296 5.191 1.00 0.00 H new ATOM 0 HB3 PHE A 18 0.105 -2.018 5.445 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -0.369 1.254 7.116 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -0.005 -3.000 7.698 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -1.208 1.499 9.441 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -0.835 -2.750 10.027 1.00 0.00 H new ATOM 0 HZ PHE A 18 -1.452 -0.503 10.895 1.00 0.00 H new ATOM 354 N ILE A 19 2.765 -3.157 6.108 1.00 0.00 N ATOM 355 CA ILE A 19 3.500 -4.235 6.793 1.00 0.00 C ATOM 356 C ILE A 19 4.989 -3.883 6.948 1.00 0.00 C ATOM 357 O ILE A 19 5.554 -4.089 8.021 1.00 0.00 O ATOM 358 CB ILE A 19 3.323 -5.605 6.089 1.00 0.00 C ATOM 359 CG1 ILE A 19 1.837 -5.923 5.788 1.00 0.00 C ATOM 360 CG2 ILE A 19 3.981 -6.705 6.952 1.00 0.00 C ATOM 361 CD1 ILE A 19 1.636 -7.184 4.936 1.00 0.00 C ATOM 0 H ILE A 19 2.341 -3.455 5.229 1.00 0.00 H new ATOM 0 HA ILE A 19 3.067 -4.329 7.789 1.00 0.00 H new ATOM 0 HB ILE A 19 3.820 -5.565 5.120 1.00 0.00 H new ATOM 0 HG12 ILE A 19 1.302 -6.043 6.730 1.00 0.00 H new ATOM 0 HG13 ILE A 19 1.390 -5.073 5.274 1.00 0.00 H new ATOM 0 HG21 ILE A 19 3.860 -7.672 6.463 1.00 0.00 H new ATOM 0 HG22 ILE A 19 5.043 -6.488 7.071 1.00 0.00 H new ATOM 0 HG23 ILE A 19 3.505 -6.732 7.932 1.00 0.00 H new ATOM 0 HD11 ILE A 19 0.571 -7.343 4.766 1.00 0.00 H new ATOM 0 HD12 ILE A 19 2.141 -7.060 3.978 1.00 0.00 H new ATOM 0 HD13 ILE A 19 2.053 -8.046 5.458 1.00 0.00 H new ATOM 373 N MET A 20 5.624 -3.313 5.917 1.00 0.00 N ATOM 374 CA MET A 20 7.015 -2.834 5.978 1.00 0.00 C ATOM 375 C MET A 20 7.189 -1.705 7.011 1.00 0.00 C ATOM 376 O MET A 20 8.116 -1.751 7.823 1.00 0.00 O ATOM 377 CB MET A 20 7.475 -2.346 4.595 1.00 0.00 C ATOM 378 CG MET A 20 7.699 -3.472 3.581 1.00 0.00 C ATOM 379 SD MET A 20 9.361 -4.201 3.629 1.00 0.00 S ATOM 380 CE MET A 20 9.487 -4.754 1.904 1.00 0.00 C ATOM 0 H MET A 20 5.185 -3.169 5.008 1.00 0.00 H new ATOM 0 HA MET A 20 7.633 -3.675 6.292 1.00 0.00 H new ATOM 0 HB2 MET A 20 6.730 -1.656 4.198 1.00 0.00 H new ATOM 0 HB3 MET A 20 8.402 -1.784 4.709 1.00 0.00 H new ATOM 0 HG2 MET A 20 6.965 -4.258 3.760 1.00 0.00 H new ATOM 0 HG3 MET A 20 7.514 -3.085 2.579 1.00 0.00 H new ATOM 0 HE1 MET A 20 10.454 -5.232 1.745 1.00 0.00 H new ATOM 0 HE2 MET A 20 8.690 -5.467 1.691 1.00 0.00 H new ATOM 0 HE3 MET A 20 9.393 -3.896 1.239 1.00 0.00 H new ATOM 390 N ILE A 21 6.297 -0.704 7.004 1.00 0.00 N ATOM 391 CA ILE A 21 6.326 0.448 7.921 1.00 0.00 C ATOM 392 C ILE A 21 6.145 -0.009 9.378 1.00 0.00 C ATOM 393 O ILE A 21 7.004 0.255 10.221 1.00 0.00 O ATOM 394 CB ILE A 21 5.247 1.485 7.515 1.00 0.00 C ATOM 395 CG1 ILE A 21 5.537 2.124 6.135 1.00 0.00 C ATOM 396 CG2 ILE A 21 5.151 2.602 8.571 1.00 0.00 C ATOM 397 CD1 ILE A 21 4.275 2.700 5.472 1.00 0.00 C ATOM 0 H ILE A 21 5.518 -0.671 6.347 1.00 0.00 H new ATOM 0 HA ILE A 21 7.301 0.929 7.847 1.00 0.00 H new ATOM 0 HB ILE A 21 4.302 0.945 7.450 1.00 0.00 H new ATOM 0 HG12 ILE A 21 6.275 2.918 6.254 1.00 0.00 H new ATOM 0 HG13 ILE A 21 5.978 1.375 5.478 1.00 0.00 H new ATOM 0 HG21 ILE A 21 4.389 3.322 8.271 1.00 0.00 H new ATOM 0 HG22 ILE A 21 4.882 2.169 9.535 1.00 0.00 H new ATOM 0 HG23 ILE A 21 6.114 3.106 8.656 1.00 0.00 H new ATOM 0 HD11 ILE A 21 4.537 3.135 4.508 1.00 0.00 H new ATOM 0 HD12 ILE A 21 3.546 1.904 5.325 1.00 0.00 H new ATOM 0 HD13 ILE A 21 3.846 3.470 6.113 1.00 0.00 H new ATOM 409 N VAL A 22 5.075 -0.752 9.682 1.00 0.00 N ATOM 410 CA VAL A 22 4.809 -1.262 11.040 1.00 0.00 C ATOM 411 C VAL A 22 5.849 -2.296 11.462 1.00 0.00 C ATOM 412 O VAL A 22 6.238 -2.307 12.624 1.00 0.00 O ATOM 413 CB VAL A 22 3.382 -1.822 11.181 1.00 0.00 C ATOM 414 CG1 VAL A 22 3.079 -2.284 12.614 1.00 0.00 C ATOM 415 CG2 VAL A 22 2.355 -0.729 10.843 1.00 0.00 C ATOM 0 H VAL A 22 4.367 -1.019 8.998 1.00 0.00 H new ATOM 0 HA VAL A 22 4.889 -0.411 11.716 1.00 0.00 H new ATOM 0 HB VAL A 22 3.314 -2.670 10.500 1.00 0.00 H new ATOM 0 HG11 VAL A 22 2.061 -2.671 12.664 1.00 0.00 H new ATOM 0 HG12 VAL A 22 3.780 -3.068 12.899 1.00 0.00 H new ATOM 0 HG13 VAL A 22 3.180 -1.441 13.297 1.00 0.00 H new ATOM 0 HG21 VAL A 22 1.348 -1.132 10.945 1.00 0.00 H new ATOM 0 HG22 VAL A 22 2.480 0.111 11.526 1.00 0.00 H new ATOM 0 HG23 VAL A 22 2.508 -0.390 9.818 1.00 0.00 H new ATOM 425 N GLY A 23 6.392 -3.093 10.538 1.00 0.00 N ATOM 426 CA GLY A 23 7.451 -4.066 10.818 1.00 0.00 C ATOM 427 C GLY A 23 8.695 -3.460 11.494 1.00 0.00 C ATOM 428 O GLY A 23 9.397 -4.151 12.236 1.00 0.00 O ATOM 0 H GLY A 23 6.104 -3.080 9.560 1.00 0.00 H new ATOM 0 HA2 GLY A 23 7.049 -4.852 11.458 1.00 0.00 H new ATOM 0 HA3 GLY A 23 7.752 -4.539 9.883 1.00 0.00 H new ATOM 432 N GLY A 24 8.948 -2.164 11.268 1.00 0.00 N ATOM 433 CA GLY A 24 10.017 -1.384 11.895 1.00 0.00 C ATOM 434 C GLY A 24 9.511 -0.443 12.999 1.00 0.00 C ATOM 435 O GLY A 24 10.219 -0.234 13.980 1.00 0.00 O ATOM 0 H GLY A 24 8.390 -1.611 10.617 1.00 0.00 H new ATOM 0 HA2 GLY A 24 10.755 -2.065 12.317 1.00 0.00 H new ATOM 0 HA3 GLY A 24 10.526 -0.797 11.131 1.00 0.00 H new ATOM 439 N LEU A 25 8.296 0.111 12.892 1.00 0.00 N ATOM 440 CA LEU A 25 7.726 1.025 13.899 1.00 0.00 C ATOM 441 C LEU A 25 7.089 0.332 15.120 1.00 0.00 C ATOM 442 O LEU A 25 6.932 0.974 16.158 1.00 0.00 O ATOM 443 CB LEU A 25 6.709 1.973 13.237 1.00 0.00 C ATOM 444 CG LEU A 25 7.309 3.008 12.263 1.00 0.00 C ATOM 445 CD1 LEU A 25 6.191 3.925 11.767 1.00 0.00 C ATOM 446 CD2 LEU A 25 8.375 3.896 12.912 1.00 0.00 C ATOM 0 H LEU A 25 7.675 -0.061 12.101 1.00 0.00 H new ATOM 0 HA LEU A 25 8.574 1.585 14.295 1.00 0.00 H new ATOM 0 HB2 LEU A 25 5.976 1.373 12.697 1.00 0.00 H new ATOM 0 HB3 LEU A 25 6.170 2.506 14.021 1.00 0.00 H new ATOM 0 HG LEU A 25 7.778 2.446 11.456 1.00 0.00 H new ATOM 0 HD11 LEU A 25 6.603 4.661 11.077 1.00 0.00 H new ATOM 0 HD12 LEU A 25 5.434 3.331 11.254 1.00 0.00 H new ATOM 0 HD13 LEU A 25 5.737 4.437 12.615 1.00 0.00 H new ATOM 0 HD21 LEU A 25 8.758 4.602 12.175 1.00 0.00 H new ATOM 0 HD22 LEU A 25 7.934 4.444 13.745 1.00 0.00 H new ATOM 0 HD23 LEU A 25 9.192 3.275 13.278 1.00 0.00 H new ATOM 458 N VAL A 26 6.745 -0.959 15.046 1.00 0.00 N ATOM 459 CA VAL A 26 6.141 -1.730 16.157 1.00 0.00 C ATOM 460 C VAL A 26 7.074 -1.856 17.372 1.00 0.00 C ATOM 461 O VAL A 26 6.616 -1.851 18.517 1.00 0.00 O ATOM 462 CB VAL A 26 5.665 -3.113 15.661 1.00 0.00 C ATOM 463 CG1 VAL A 26 6.802 -4.077 15.285 1.00 0.00 C ATOM 464 CG2 VAL A 26 4.735 -3.805 16.658 1.00 0.00 C ATOM 0 H VAL A 26 6.878 -1.514 14.200 1.00 0.00 H new ATOM 0 HA VAL A 26 5.273 -1.169 16.502 1.00 0.00 H new ATOM 0 HB VAL A 26 5.115 -2.882 14.749 1.00 0.00 H new ATOM 0 HG11 VAL A 26 6.380 -5.024 14.948 1.00 0.00 H new ATOM 0 HG12 VAL A 26 7.400 -3.640 14.485 1.00 0.00 H new ATOM 0 HG13 VAL A 26 7.434 -4.252 16.156 1.00 0.00 H new ATOM 0 HG21 VAL A 26 4.430 -4.773 16.260 1.00 0.00 H new ATOM 0 HG22 VAL A 26 5.258 -3.950 17.603 1.00 0.00 H new ATOM 0 HG23 VAL A 26 3.853 -3.186 16.823 1.00 0.00 H new ATOM 474 N LYS A 27 8.388 -1.940 17.122 1.00 0.00 N ATOM 475 CA LYS A 27 9.458 -2.055 18.131 1.00 0.00 C ATOM 476 C LYS A 27 9.981 -0.697 18.633 1.00 0.00 C ATOM 477 O LYS A 27 10.364 -0.591 19.803 1.00 0.00 O ATOM 478 CB LYS A 27 10.588 -2.937 17.563 1.00 0.00 C ATOM 479 CG LYS A 27 11.301 -2.286 16.364 1.00 0.00 C ATOM 480 CD LYS A 27 12.399 -3.133 15.722 1.00 0.00 C ATOM 481 CE LYS A 27 11.824 -4.335 14.959 1.00 0.00 C ATOM 482 NZ LYS A 27 12.844 -4.963 14.080 1.00 0.00 N ATOM 0 H LYS A 27 8.754 -1.929 16.170 1.00 0.00 H new ATOM 0 HA LYS A 27 9.034 -2.528 19.017 1.00 0.00 H new ATOM 0 HB2 LYS A 27 11.316 -3.138 18.349 1.00 0.00 H new ATOM 0 HB3 LYS A 27 10.175 -3.898 17.257 1.00 0.00 H new ATOM 0 HG2 LYS A 27 10.556 -2.048 15.604 1.00 0.00 H new ATOM 0 HG3 LYS A 27 11.737 -1.341 16.690 1.00 0.00 H new ATOM 0 HD2 LYS A 27 12.982 -2.515 15.039 1.00 0.00 H new ATOM 0 HD3 LYS A 27 13.083 -3.486 16.494 1.00 0.00 H new ATOM 0 HE2 LYS A 27 11.451 -5.073 15.669 1.00 0.00 H new ATOM 0 HE3 LYS A 27 10.974 -4.012 14.358 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 12.421 -5.771 13.580 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 13.182 -4.265 13.387 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 13.644 -5.293 14.657 1.00 0.00 H new ATOM 496 N LYS A 28 10.012 0.323 17.763 1.00 0.00 N ATOM 497 CA LYS A 28 10.449 1.705 18.054 1.00 0.00 C ATOM 498 C LYS A 28 9.583 2.404 19.119 1.00 0.00 C ATOM 499 O LYS A 28 10.147 3.217 19.888 1.00 0.00 O ATOM 500 CB LYS A 28 10.486 2.538 16.758 1.00 0.00 C ATOM 501 CG LYS A 28 11.620 2.174 15.784 1.00 0.00 C ATOM 502 CD LYS A 28 13.026 2.499 16.311 1.00 0.00 C ATOM 503 CE LYS A 28 14.029 2.474 15.148 1.00 0.00 C ATOM 504 NZ LYS A 28 15.418 2.210 15.610 1.00 0.00 N ATOM 505 OXT LYS A 28 8.355 2.164 19.181 1.00 0.00 O ATOM 0 H LYS A 28 9.721 0.207 16.792 1.00 0.00 H new ATOM 0 HA LYS A 28 11.453 1.633 18.471 1.00 0.00 H new ATOM 0 HB2 LYS A 28 9.533 2.422 16.242 1.00 0.00 H new ATOM 0 HB3 LYS A 28 10.579 3.591 17.023 1.00 0.00 H new ATOM 0 HG2 LYS A 28 11.565 1.109 15.560 1.00 0.00 H new ATOM 0 HG3 LYS A 28 11.463 2.706 14.845 1.00 0.00 H new ATOM 0 HD2 LYS A 28 13.030 3.480 16.787 1.00 0.00 H new ATOM 0 HD3 LYS A 28 13.317 1.774 17.072 1.00 0.00 H new ATOM 0 HE2 LYS A 28 13.734 1.707 14.432 1.00 0.00 H new ATOM 0 HE3 LYS A 28 13.998 3.429 14.623 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 16.060 2.202 14.792 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 15.711 2.956 16.273 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 15.455 1.287 16.088 1.00 0.00 H new TER 519 LYS A 28