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= 0 X(o=0,f=0) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 ASN : amide:sc= 0 X(o=0,f=-0.17) 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+ 169:sc= 0.0393 (180deg=0.0217) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 -10.424 8.641 -10.112 1.00 0.00 N ATOM 2 CA LYS A 1 -9.534 7.461 -9.905 1.00 0.00 C ATOM 3 C LYS A 1 -10.155 6.126 -10.352 1.00 0.00 C ATOM 4 O LYS A 1 -9.512 5.393 -11.102 1.00 0.00 O ATOM 5 CB LYS A 1 -8.920 7.403 -8.481 1.00 0.00 C ATOM 6 CG LYS A 1 -9.883 6.975 -7.357 1.00 0.00 C ATOM 7 CD LYS A 1 -9.227 7.010 -5.968 1.00 0.00 C ATOM 8 CE LYS A 1 -10.104 6.221 -4.986 1.00 0.00 C ATOM 9 NZ LYS A 1 -9.663 6.396 -3.578 1.00 0.00 N ATOM 0 H1 LYS A 1 -9.939 9.502 -9.788 1.00 0.00 H new ATOM 0 H2 LYS A 1 -10.652 8.731 -11.123 1.00 0.00 H new ATOM 0 H3 LYS A 1 -11.302 8.513 -9.569 1.00 0.00 H new ATOM 0 HA LYS A 1 -8.695 7.620 -10.583 1.00 0.00 H new ATOM 0 HB2 LYS A 1 -8.078 6.711 -8.496 1.00 0.00 H new ATOM 0 HB3 LYS A 1 -8.520 8.387 -8.237 1.00 0.00 H new ATOM 0 HG2 LYS A 1 -10.753 7.632 -7.360 1.00 0.00 H new ATOM 0 HG3 LYS A 1 -10.244 5.967 -7.558 1.00 0.00 H new ATOM 0 HD2 LYS A 1 -8.227 6.578 -6.012 1.00 0.00 H new ATOM 0 HD3 LYS A 1 -9.115 8.040 -5.630 1.00 0.00 H new ATOM 0 HE2 LYS A 1 -11.140 6.546 -5.084 1.00 0.00 H new ATOM 0 HE3 LYS A 1 -10.076 5.163 -5.245 1.00 0.00 H new ATOM 0 HZ1 LYS A 1 -10.283 5.846 -2.949 1.00 0.00 H new ATOM 0 HZ2 LYS A 1 -8.683 6.062 -3.477 1.00 0.00 H new ATOM 0 HZ3 LYS A 1 -9.714 7.402 -3.321 1.00 0.00 H new ATOM 25 N LYS A 2 -11.376 5.768 -9.910 1.00 0.00 N ATOM 26 CA LYS A 2 -12.023 4.457 -10.154 1.00 0.00 C ATOM 27 C LYS A 2 -12.366 4.247 -11.645 1.00 0.00 C ATOM 28 O LYS A 2 -13.419 4.679 -12.119 1.00 0.00 O ATOM 29 CB LYS A 2 -13.253 4.273 -9.234 1.00 0.00 C ATOM 30 CG LYS A 2 -12.903 4.376 -7.736 1.00 0.00 C ATOM 31 CD LYS A 2 -14.069 3.921 -6.844 1.00 0.00 C ATOM 32 CE LYS A 2 -13.729 4.149 -5.364 1.00 0.00 C ATOM 33 NZ LYS A 2 -14.846 3.739 -4.472 1.00 0.00 N ATOM 0 H LYS A 2 -11.958 6.398 -9.358 1.00 0.00 H new ATOM 0 HA LYS A 2 -11.305 3.678 -9.899 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -14.000 5.027 -9.480 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -13.705 3.301 -9.430 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -12.025 3.766 -7.525 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -12.641 5.406 -7.494 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -14.972 4.472 -7.106 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -14.278 2.865 -7.018 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -12.832 3.586 -5.106 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -13.502 5.203 -5.201 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -14.579 3.908 -3.481 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -15.695 4.294 -4.701 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -15.046 2.728 -4.609 1.00 0.00 H new ATOM 47 N LYS A 3 -11.450 3.599 -12.376 1.00 0.00 N ATOM 48 CA LYS A 3 -11.470 3.327 -13.829 1.00 0.00 C ATOM 49 C LYS A 3 -11.291 1.830 -14.104 1.00 0.00 C ATOM 50 O LYS A 3 -12.264 1.142 -14.413 1.00 0.00 O ATOM 51 CB LYS A 3 -10.383 4.176 -14.531 1.00 0.00 C ATOM 52 CG LYS A 3 -10.876 5.514 -15.103 1.00 0.00 C ATOM 53 CD LYS A 3 -11.536 5.350 -16.485 1.00 0.00 C ATOM 54 CE LYS A 3 -11.626 6.684 -17.241 1.00 0.00 C ATOM 55 NZ LYS A 3 -10.328 7.069 -17.862 1.00 0.00 N ATOM 0 H LYS A 3 -10.610 3.220 -11.939 1.00 0.00 H new ATOM 0 HA LYS A 3 -12.440 3.612 -14.237 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -9.582 4.375 -13.819 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -9.951 3.589 -15.341 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -11.591 5.961 -14.412 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -10.036 6.204 -15.183 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -10.965 4.635 -17.077 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -12.536 4.935 -16.362 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -12.389 6.610 -18.016 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -11.945 7.468 -16.554 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -10.437 7.975 -18.361 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -9.604 7.166 -17.122 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -10.035 6.335 -18.538 1.00 0.00 H new ATOM 69 N ASN A 4 -10.057 1.334 -13.977 1.00 0.00 N ATOM 70 CA ASN A 4 -9.640 -0.044 -14.261 1.00 0.00 C ATOM 71 C ASN A 4 -8.734 -0.584 -13.141 1.00 0.00 C ATOM 72 O ASN A 4 -8.037 0.182 -12.469 1.00 0.00 O ATOM 73 CB ASN A 4 -8.879 -0.077 -15.605 1.00 0.00 C ATOM 74 CG ASN A 4 -9.681 0.431 -16.795 1.00 0.00 C ATOM 75 OD1 ASN A 4 -10.776 -0.027 -17.087 1.00 0.00 O ATOM 76 ND2 ASN A 4 -9.152 1.378 -17.540 1.00 0.00 N ATOM 0 H ASN A 4 -9.280 1.912 -13.657 1.00 0.00 H new ATOM 0 HA ASN A 4 -10.527 -0.675 -14.318 1.00 0.00 H new ATOM 0 HB2 ASN A 4 -7.973 0.522 -15.510 1.00 0.00 H new ATOM 0 HB3 ASN A 4 -8.564 -1.101 -15.805 1.00 0.00 H new ATOM 0 HD21 ASN A 4 -9.655 1.726 -18.356 1.00 0.00 H new ATOM 0 HD22 ASN A 4 -8.239 1.764 -17.301 1.00 0.00 H new ATOM 83 N TRP A 5 -8.651 -1.911 -13.009 1.00 0.00 N ATOM 84 CA TRP A 5 -7.752 -2.597 -12.065 1.00 0.00 C ATOM 85 C TRP A 5 -6.270 -2.233 -12.268 1.00 0.00 C ATOM 86 O TRP A 5 -5.499 -2.222 -11.306 1.00 0.00 O ATOM 87 CB TRP A 5 -7.956 -4.115 -12.185 1.00 0.00 C ATOM 88 CG TRP A 5 -7.473 -4.725 -13.469 1.00 0.00 C ATOM 89 CD1 TRP A 5 -8.207 -4.887 -14.594 1.00 0.00 C ATOM 90 CD2 TRP A 5 -6.138 -5.234 -13.782 1.00 0.00 C ATOM 91 NE1 TRP A 5 -7.417 -5.445 -15.584 1.00 0.00 N ATOM 92 CE2 TRP A 5 -6.133 -5.678 -15.138 1.00 0.00 C ATOM 93 CE3 TRP A 5 -4.929 -5.358 -13.061 1.00 0.00 C ATOM 94 CZ2 TRP A 5 -4.990 -6.215 -15.749 1.00 0.00 C ATOM 95 CZ3 TRP A 5 -3.776 -5.898 -13.664 1.00 0.00 C ATOM 96 CH2 TRP A 5 -3.804 -6.325 -15.004 1.00 0.00 C ATOM 0 H TRP A 5 -9.216 -2.554 -13.564 1.00 0.00 H new ATOM 0 HA TRP A 5 -8.011 -2.260 -11.061 1.00 0.00 H new ATOM 0 HB2 TRP A 5 -7.443 -4.601 -11.355 1.00 0.00 H new ATOM 0 HB3 TRP A 5 -9.018 -4.333 -12.075 1.00 0.00 H new ATOM 0 HD1 TRP A 5 -9.248 -4.622 -14.703 1.00 0.00 H new ATOM 0 HE1 TRP A 5 -7.744 -5.658 -16.527 1.00 0.00 H new ATOM 0 HE3 TRP A 5 -4.888 -5.034 -12.032 1.00 0.00 H new ATOM 0 HZ2 TRP A 5 -5.021 -6.540 -16.779 1.00 0.00 H new ATOM 0 HZ3 TRP A 5 -2.863 -5.985 -13.093 1.00 0.00 H new ATOM 0 HH2 TRP A 5 -2.915 -6.737 -15.459 1.00 0.00 H new ATOM 107 N PHE A 6 -5.887 -1.870 -13.499 1.00 0.00 N ATOM 108 CA PHE A 6 -4.549 -1.399 -13.878 1.00 0.00 C ATOM 109 C PHE A 6 -4.113 -0.121 -13.131 1.00 0.00 C ATOM 110 O PHE A 6 -2.916 0.131 -13.004 1.00 0.00 O ATOM 111 CB PHE A 6 -4.479 -1.205 -15.407 1.00 0.00 C ATOM 112 CG PHE A 6 -3.335 -1.947 -16.077 1.00 0.00 C ATOM 113 CD1 PHE A 6 -1.997 -1.599 -15.800 1.00 0.00 C ATOM 114 CD2 PHE A 6 -3.602 -2.990 -16.986 1.00 0.00 C ATOM 115 CE1 PHE A 6 -0.940 -2.290 -16.418 1.00 0.00 C ATOM 116 CE2 PHE A 6 -2.544 -3.677 -17.612 1.00 0.00 C ATOM 117 CZ PHE A 6 -1.213 -3.328 -17.325 1.00 0.00 C ATOM 0 H PHE A 6 -6.529 -1.898 -14.291 1.00 0.00 H new ATOM 0 HA PHE A 6 -3.839 -2.169 -13.575 1.00 0.00 H new ATOM 0 HB2 PHE A 6 -5.419 -1.536 -15.847 1.00 0.00 H new ATOM 0 HB3 PHE A 6 -4.383 -0.141 -15.623 1.00 0.00 H new ATOM 0 HD1 PHE A 6 -1.783 -0.797 -15.109 1.00 0.00 H new ATOM 0 HD2 PHE A 6 -4.624 -3.264 -17.204 1.00 0.00 H new ATOM 0 HE1 PHE A 6 0.083 -2.023 -16.195 1.00 0.00 H new ATOM 0 HE2 PHE A 6 -2.755 -4.472 -18.312 1.00 0.00 H new ATOM 0 HZ PHE A 6 -0.401 -3.857 -17.801 1.00 0.00 H new ATOM 127 N ASP A 7 -5.055 0.682 -12.619 1.00 0.00 N ATOM 128 CA ASP A 7 -4.762 1.867 -11.800 1.00 0.00 C ATOM 129 C ASP A 7 -4.825 1.530 -10.299 1.00 0.00 C ATOM 130 O ASP A 7 -3.974 1.964 -9.522 1.00 0.00 O ATOM 131 CB ASP A 7 -5.725 3.008 -12.152 1.00 0.00 C ATOM 132 CG ASP A 7 -5.283 4.330 -11.498 1.00 0.00 C ATOM 133 OD1 ASP A 7 -4.198 4.844 -11.860 1.00 0.00 O ATOM 134 OD2 ASP A 7 -6.024 4.865 -10.641 1.00 0.00 O ATOM 0 H ASP A 7 -6.053 0.526 -12.763 1.00 0.00 H new ATOM 0 HA ASP A 7 -3.746 2.196 -12.020 1.00 0.00 H new ATOM 0 HB2 ASP A 7 -5.768 3.131 -13.234 1.00 0.00 H new ATOM 0 HB3 ASP A 7 -6.732 2.754 -11.820 1.00 0.00 H new ATOM 139 N ILE A 8 -5.786 0.689 -9.892 1.00 0.00 N ATOM 140 CA ILE A 8 -5.926 0.193 -8.511 1.00 0.00 C ATOM 141 C ILE A 8 -4.659 -0.537 -8.044 1.00 0.00 C ATOM 142 O ILE A 8 -4.197 -0.296 -6.930 1.00 0.00 O ATOM 143 CB ILE A 8 -7.180 -0.703 -8.363 1.00 0.00 C ATOM 144 CG1 ILE A 8 -8.483 -0.024 -8.852 1.00 0.00 C ATOM 145 CG2 ILE A 8 -7.357 -1.181 -6.910 1.00 0.00 C ATOM 146 CD1 ILE A 8 -8.829 1.318 -8.188 1.00 0.00 C ATOM 0 H ILE A 8 -6.501 0.327 -10.522 1.00 0.00 H new ATOM 0 HA ILE A 8 -6.059 1.059 -7.863 1.00 0.00 H new ATOM 0 HB ILE A 8 -7.002 -1.562 -9.010 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -8.406 0.134 -9.928 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -9.312 -0.713 -8.689 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -8.246 -1.808 -6.839 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -6.482 -1.756 -6.607 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -7.468 -0.318 -6.254 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -9.759 1.702 -8.606 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -8.947 1.173 -7.114 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -8.027 2.033 -8.372 1.00 0.00 H new ATOM 158 N THR A 9 -4.052 -1.383 -8.885 1.00 0.00 N ATOM 159 CA THR A 9 -2.793 -2.087 -8.563 1.00 0.00 C ATOM 160 C THR A 9 -1.623 -1.130 -8.271 1.00 0.00 C ATOM 161 O THR A 9 -0.788 -1.423 -7.411 1.00 0.00 O ATOM 162 CB THR A 9 -2.446 -3.118 -9.657 1.00 0.00 C ATOM 163 OG1 THR A 9 -1.404 -3.975 -9.241 1.00 0.00 O ATOM 164 CG2 THR A 9 -2.020 -2.503 -10.987 1.00 0.00 C ATOM 0 H THR A 9 -4.417 -1.603 -9.812 1.00 0.00 H new ATOM 0 HA THR A 9 -2.961 -2.629 -7.633 1.00 0.00 H new ATOM 0 HB THR A 9 -3.377 -3.663 -9.812 1.00 0.00 H new ATOM 0 HG1 THR A 9 -1.206 -4.619 -9.953 1.00 0.00 H new ATOM 0 HG21 THR A 9 -1.794 -3.297 -11.699 1.00 0.00 H new ATOM 0 HG22 THR A 9 -2.828 -1.884 -11.377 1.00 0.00 H new ATOM 0 HG23 THR A 9 -1.133 -1.888 -10.836 1.00 0.00 H new ATOM 172 N ASN A 10 -1.583 0.051 -8.908 1.00 0.00 N ATOM 173 CA ASN A 10 -0.576 1.084 -8.630 1.00 0.00 C ATOM 174 C ASN A 10 -0.810 1.708 -7.242 1.00 0.00 C ATOM 175 O ASN A 10 0.119 1.804 -6.437 1.00 0.00 O ATOM 176 CB ASN A 10 -0.583 2.177 -9.717 1.00 0.00 C ATOM 177 CG ASN A 10 -0.315 1.668 -11.125 1.00 0.00 C ATOM 178 OD1 ASN A 10 0.407 0.706 -11.354 1.00 0.00 O ATOM 179 ND2 ASN A 10 -0.866 2.323 -12.121 1.00 0.00 N ATOM 0 H ASN A 10 -2.251 0.316 -9.632 1.00 0.00 H new ATOM 0 HA ASN A 10 0.403 0.606 -8.638 1.00 0.00 H new ATOM 0 HB2 ASN A 10 -1.551 2.679 -9.704 1.00 0.00 H new ATOM 0 HB3 ASN A 10 0.168 2.926 -9.466 1.00 0.00 H new ATOM 0 HD21 ASN A 10 -0.692 2.030 -13.082 1.00 0.00 H new ATOM 0 HD22 ASN A 10 -1.468 3.125 -11.933 1.00 0.00 H new ATOM 186 N TRP A 11 -2.056 2.102 -6.944 1.00 0.00 N ATOM 187 CA TRP A 11 -2.450 2.633 -5.633 1.00 0.00 C ATOM 188 C TRP A 11 -2.251 1.635 -4.492 1.00 0.00 C ATOM 189 O TRP A 11 -1.798 2.030 -3.422 1.00 0.00 O ATOM 190 CB TRP A 11 -3.904 3.117 -5.668 1.00 0.00 C ATOM 191 CG TRP A 11 -4.090 4.415 -6.386 1.00 0.00 C ATOM 192 CD1 TRP A 11 -4.738 4.585 -7.558 1.00 0.00 C ATOM 193 CD2 TRP A 11 -3.597 5.734 -6.000 1.00 0.00 C ATOM 194 NE1 TRP A 11 -4.675 5.915 -7.931 1.00 0.00 N ATOM 195 CE2 TRP A 11 -3.979 6.670 -7.008 1.00 0.00 C ATOM 196 CE3 TRP A 11 -2.850 6.231 -4.907 1.00 0.00 C ATOM 197 CZ2 TRP A 11 -3.638 8.029 -6.935 1.00 0.00 C ATOM 198 CZ3 TRP A 11 -2.502 7.594 -4.826 1.00 0.00 C ATOM 199 CH2 TRP A 11 -2.893 8.492 -5.836 1.00 0.00 C ATOM 0 H TRP A 11 -2.825 2.060 -7.613 1.00 0.00 H new ATOM 0 HA TRP A 11 -1.788 3.474 -5.429 1.00 0.00 H new ATOM 0 HB2 TRP A 11 -4.519 2.356 -6.148 1.00 0.00 H new ATOM 0 HB3 TRP A 11 -4.267 3.223 -4.646 1.00 0.00 H new ATOM 0 HD1 TRP A 11 -5.230 3.803 -8.118 1.00 0.00 H new ATOM 0 HE1 TRP A 11 -5.091 6.292 -8.783 1.00 0.00 H new ATOM 0 HE3 TRP A 11 -2.542 5.556 -4.123 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 -3.944 8.712 -7.714 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 -1.931 7.952 -3.982 1.00 0.00 H new ATOM 0 HH2 TRP A 11 -2.621 9.535 -5.767 1.00 0.00 H new ATOM 210 N LEU A 12 -2.525 0.345 -4.708 1.00 0.00 N ATOM 211 CA LEU A 12 -2.361 -0.708 -3.700 1.00 0.00 C ATOM 212 C LEU A 12 -0.941 -0.728 -3.105 1.00 0.00 C ATOM 213 O LEU A 12 -0.782 -0.911 -1.898 1.00 0.00 O ATOM 214 CB LEU A 12 -2.778 -2.054 -4.321 1.00 0.00 C ATOM 215 CG LEU A 12 -3.043 -3.154 -3.271 1.00 0.00 C ATOM 216 CD1 LEU A 12 -4.293 -3.955 -3.642 1.00 0.00 C ATOM 217 CD2 LEU A 12 -1.870 -4.130 -3.154 1.00 0.00 C ATOM 0 H LEU A 12 -2.872 -0.003 -5.602 1.00 0.00 H new ATOM 0 HA LEU A 12 -3.012 -0.504 -2.850 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -3.678 -1.907 -4.919 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -1.995 -2.391 -5.001 1.00 0.00 H new ATOM 0 HG LEU A 12 -3.180 -2.648 -2.316 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -4.466 -4.727 -2.892 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -5.154 -3.288 -3.682 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -4.150 -4.422 -4.617 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -2.100 -4.887 -2.404 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -1.701 -4.613 -4.117 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -0.973 -3.587 -2.858 1.00 0.00 H new ATOM 229 N TRP A 13 0.079 -0.451 -3.927 1.00 0.00 N ATOM 230 CA TRP A 13 1.485 -0.327 -3.525 1.00 0.00 C ATOM 231 C TRP A 13 1.738 0.794 -2.498 1.00 0.00 C ATOM 232 O TRP A 13 2.531 0.605 -1.573 1.00 0.00 O ATOM 233 CB TRP A 13 2.360 -0.145 -4.779 1.00 0.00 C ATOM 234 CG TRP A 13 3.648 -0.912 -4.766 1.00 0.00 C ATOM 235 CD1 TRP A 13 3.744 -2.247 -4.957 1.00 0.00 C ATOM 236 CD2 TRP A 13 5.018 -0.431 -4.583 1.00 0.00 C ATOM 237 NE1 TRP A 13 5.071 -2.630 -4.901 1.00 0.00 N ATOM 238 CE2 TRP A 13 5.900 -1.551 -4.676 1.00 0.00 C ATOM 239 CE3 TRP A 13 5.613 0.831 -4.361 1.00 0.00 C ATOM 240 CZ2 TRP A 13 7.292 -1.429 -4.554 1.00 0.00 C ATOM 241 CZ3 TRP A 13 7.011 0.966 -4.239 1.00 0.00 C ATOM 242 CH2 TRP A 13 7.850 -0.160 -4.333 1.00 0.00 C ATOM 0 H TRP A 13 -0.058 -0.302 -4.927 1.00 0.00 H new ATOM 0 HA TRP A 13 1.759 -1.250 -3.013 1.00 0.00 H new ATOM 0 HB2 TRP A 13 1.783 -0.446 -5.654 1.00 0.00 H new ATOM 0 HB3 TRP A 13 2.586 0.915 -4.896 1.00 0.00 H new ATOM 0 HD1 TRP A 13 2.911 -2.913 -5.127 1.00 0.00 H new ATOM 0 HE1 TRP A 13 5.396 -3.590 -5.012 1.00 0.00 H new ATOM 0 HE3 TRP A 13 4.986 1.707 -4.283 1.00 0.00 H new ATOM 0 HZ2 TRP A 13 7.926 -2.300 -4.629 1.00 0.00 H new ATOM 0 HZ3 TRP A 13 7.442 1.942 -4.072 1.00 0.00 H new ATOM 0 HH2 TRP A 13 8.920 -0.048 -4.235 1.00 0.00 H new ATOM 253 N TYR A 14 1.041 1.934 -2.600 1.00 0.00 N ATOM 254 CA TYR A 14 1.113 3.033 -1.623 1.00 0.00 C ATOM 255 C TYR A 14 0.661 2.580 -0.225 1.00 0.00 C ATOM 256 O TYR A 14 1.346 2.850 0.764 1.00 0.00 O ATOM 257 CB TYR A 14 0.302 4.245 -2.114 1.00 0.00 C ATOM 258 CG TYR A 14 0.266 5.408 -1.140 1.00 0.00 C ATOM 259 CD1 TYR A 14 1.346 6.310 -1.072 1.00 0.00 C ATOM 260 CD2 TYR A 14 -0.846 5.578 -0.289 1.00 0.00 C ATOM 261 CE1 TYR A 14 1.316 7.378 -0.152 1.00 0.00 C ATOM 262 CE2 TYR A 14 -0.878 6.643 0.632 1.00 0.00 C ATOM 263 CZ TYR A 14 0.205 7.547 0.703 1.00 0.00 C ATOM 264 OH TYR A 14 0.187 8.580 1.592 1.00 0.00 O ATOM 0 H TYR A 14 0.403 2.123 -3.373 1.00 0.00 H new ATOM 0 HA TYR A 14 2.156 3.337 -1.535 1.00 0.00 H new ATOM 0 HB2 TYR A 14 0.722 4.590 -3.059 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -0.720 3.925 -2.318 1.00 0.00 H new ATOM 0 HD1 TYR A 14 2.197 6.183 -1.725 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -1.676 4.889 -0.344 1.00 0.00 H new ATOM 0 HE1 TYR A 14 2.145 8.069 -0.101 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -1.730 6.768 1.284 1.00 0.00 H new ATOM 0 HH TYR A 14 -0.648 8.556 2.105 1.00 0.00 H new ATOM 274 N ILE A 15 -0.462 1.853 -0.130 1.00 0.00 N ATOM 275 CA ILE A 15 -0.923 1.279 1.146 1.00 0.00 C ATOM 276 C ILE A 15 0.065 0.193 1.614 1.00 0.00 C ATOM 277 O ILE A 15 0.456 0.183 2.780 1.00 0.00 O ATOM 278 CB ILE A 15 -2.378 0.746 1.072 1.00 0.00 C ATOM 279 CG1 ILE A 15 -3.427 1.819 0.687 1.00 0.00 C ATOM 280 CG2 ILE A 15 -2.794 0.204 2.455 1.00 0.00 C ATOM 281 CD1 ILE A 15 -3.542 2.104 -0.814 1.00 0.00 C ATOM 0 H ILE A 15 -1.070 1.647 -0.923 1.00 0.00 H new ATOM 0 HA ILE A 15 -0.943 2.079 1.887 1.00 0.00 H new ATOM 0 HB ILE A 15 -2.368 -0.019 0.295 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -4.402 1.501 1.057 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -3.179 2.748 1.200 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -3.816 -0.171 2.406 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -2.124 -0.605 2.745 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -2.736 1.005 3.192 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -4.301 2.868 -0.982 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -2.582 2.457 -1.192 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -3.824 1.190 -1.337 1.00 0.00 H new ATOM 293 N LYS A 16 0.530 -0.688 0.717 1.00 0.00 N ATOM 294 CA LYS A 16 1.510 -1.751 1.026 1.00 0.00 C ATOM 295 C LYS A 16 2.805 -1.213 1.648 1.00 0.00 C ATOM 296 O LYS A 16 3.324 -1.831 2.578 1.00 0.00 O ATOM 297 CB LYS A 16 1.777 -2.624 -0.221 1.00 0.00 C ATOM 298 CG LYS A 16 1.464 -4.110 0.017 1.00 0.00 C ATOM 299 CD LYS A 16 2.552 -4.830 0.833 1.00 0.00 C ATOM 300 CE LYS A 16 2.123 -6.231 1.298 1.00 0.00 C ATOM 301 NZ LYS A 16 1.831 -7.154 0.167 1.00 0.00 N ATOM 0 H LYS A 16 0.234 -0.686 -0.259 1.00 0.00 H new ATOM 0 HA LYS A 16 1.065 -2.385 1.793 1.00 0.00 H new ATOM 0 HB2 LYS A 16 1.173 -2.258 -1.052 1.00 0.00 H new ATOM 0 HB3 LYS A 16 2.821 -2.520 -0.516 1.00 0.00 H new ATOM 0 HG2 LYS A 16 0.510 -4.196 0.538 1.00 0.00 H new ATOM 0 HG3 LYS A 16 1.348 -4.610 -0.945 1.00 0.00 H new ATOM 0 HD2 LYS A 16 3.456 -4.914 0.229 1.00 0.00 H new ATOM 0 HD3 LYS A 16 2.805 -4.226 1.704 1.00 0.00 H new ATOM 0 HE2 LYS A 16 2.912 -6.660 1.916 1.00 0.00 H new ATOM 0 HE3 LYS A 16 1.237 -6.144 1.927 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 1.547 -8.082 0.541 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 1.060 -6.763 -0.410 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 2.682 -7.263 -0.421 1.00 0.00 H new ATOM 315 N LEU A 17 3.296 -0.054 1.199 1.00 0.00 N ATOM 316 CA LEU A 17 4.467 0.618 1.783 1.00 0.00 C ATOM 317 C LEU A 17 4.244 0.936 3.273 1.00 0.00 C ATOM 318 O LEU A 17 5.122 0.672 4.092 1.00 0.00 O ATOM 319 CB LEU A 17 4.816 1.893 0.992 1.00 0.00 C ATOM 320 CG LEU A 17 5.557 1.617 -0.329 1.00 0.00 C ATOM 321 CD1 LEU A 17 5.494 2.854 -1.226 1.00 0.00 C ATOM 322 CD2 LEU A 17 7.034 1.286 -0.098 1.00 0.00 C ATOM 0 H LEU A 17 2.889 0.451 0.412 1.00 0.00 H new ATOM 0 HA LEU A 17 5.313 -0.066 1.715 1.00 0.00 H new ATOM 0 HB2 LEU A 17 3.898 2.439 0.776 1.00 0.00 H new ATOM 0 HB3 LEU A 17 5.432 2.540 1.616 1.00 0.00 H new ATOM 0 HG LEU A 17 5.068 0.763 -0.796 1.00 0.00 H new ATOM 0 HD11 LEU A 17 6.020 2.654 -2.160 1.00 0.00 H new ATOM 0 HD12 LEU A 17 4.453 3.095 -1.440 1.00 0.00 H new ATOM 0 HD13 LEU A 17 5.964 3.696 -0.718 1.00 0.00 H new ATOM 0 HD21 LEU A 17 7.519 1.098 -1.056 1.00 0.00 H new ATOM 0 HD22 LEU A 17 7.522 2.126 0.397 1.00 0.00 H new ATOM 0 HD23 LEU A 17 7.114 0.398 0.529 1.00 0.00 H new ATOM 334 N PHE A 18 3.067 1.451 3.645 1.00 0.00 N ATOM 335 CA PHE A 18 2.715 1.689 5.051 1.00 0.00 C ATOM 336 C PHE A 18 2.751 0.376 5.852 1.00 0.00 C ATOM 337 O PHE A 18 3.388 0.326 6.903 1.00 0.00 O ATOM 338 CB PHE A 18 1.352 2.392 5.148 1.00 0.00 C ATOM 339 CG PHE A 18 0.881 2.682 6.563 1.00 0.00 C ATOM 340 CD1 PHE A 18 1.400 3.783 7.271 1.00 0.00 C ATOM 341 CD2 PHE A 18 -0.095 1.863 7.168 1.00 0.00 C ATOM 342 CE1 PHE A 18 0.936 4.073 8.568 1.00 0.00 C ATOM 343 CE2 PHE A 18 -0.557 2.152 8.466 1.00 0.00 C ATOM 344 CZ PHE A 18 -0.048 3.262 9.162 1.00 0.00 C ATOM 0 H PHE A 18 2.335 1.714 2.985 1.00 0.00 H new ATOM 0 HA PHE A 18 3.457 2.353 5.495 1.00 0.00 H new ATOM 0 HB2 PHE A 18 1.404 3.332 4.598 1.00 0.00 H new ATOM 0 HB3 PHE A 18 0.604 1.773 4.651 1.00 0.00 H new ATOM 0 HD1 PHE A 18 2.156 4.407 6.818 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -0.489 1.011 6.634 1.00 0.00 H new ATOM 0 HE1 PHE A 18 1.336 4.919 9.107 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -1.302 1.521 8.927 1.00 0.00 H new ATOM 0 HZ PHE A 18 -0.412 3.492 10.152 1.00 0.00 H new ATOM 354 N ILE A 19 2.152 -0.707 5.335 1.00 0.00 N ATOM 355 CA ILE A 19 2.166 -2.035 5.980 1.00 0.00 C ATOM 356 C ILE A 19 3.604 -2.523 6.237 1.00 0.00 C ATOM 357 O ILE A 19 3.924 -2.883 7.370 1.00 0.00 O ATOM 358 CB ILE A 19 1.349 -3.093 5.195 1.00 0.00 C ATOM 359 CG1 ILE A 19 -0.091 -2.609 4.895 1.00 0.00 C ATOM 360 CG2 ILE A 19 1.290 -4.408 6.000 1.00 0.00 C ATOM 361 CD1 ILE A 19 -0.898 -3.556 3.998 1.00 0.00 C ATOM 0 H ILE A 19 1.640 -0.689 4.453 1.00 0.00 H new ATOM 0 HA ILE A 19 1.673 -1.911 6.944 1.00 0.00 H new ATOM 0 HB ILE A 19 1.853 -3.256 4.242 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -0.622 -2.479 5.838 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -0.041 -1.630 4.419 1.00 0.00 H new ATOM 0 HG21 ILE A 19 0.715 -5.149 5.445 1.00 0.00 H new ATOM 0 HG22 ILE A 19 2.301 -4.781 6.162 1.00 0.00 H new ATOM 0 HG23 ILE A 19 0.812 -4.224 6.962 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -1.894 -3.144 3.837 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -0.392 -3.668 3.039 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -0.982 -4.530 4.480 1.00 0.00 H new ATOM 373 N MET A 20 4.484 -2.531 5.226 1.00 0.00 N ATOM 374 CA MET A 20 5.866 -3.017 5.386 1.00 0.00 C ATOM 375 C MET A 20 6.704 -2.187 6.380 1.00 0.00 C ATOM 376 O MET A 20 7.536 -2.750 7.093 1.00 0.00 O ATOM 377 CB MET A 20 6.581 -3.161 4.029 1.00 0.00 C ATOM 378 CG MET A 20 6.804 -1.848 3.287 1.00 0.00 C ATOM 379 SD MET A 20 7.824 -1.975 1.795 1.00 0.00 S ATOM 380 CE MET A 20 9.472 -1.843 2.542 1.00 0.00 C ATOM 0 H MET A 20 4.264 -2.206 4.285 1.00 0.00 H new ATOM 0 HA MET A 20 5.777 -4.009 5.828 1.00 0.00 H new ATOM 0 HB2 MET A 20 7.547 -3.640 4.191 1.00 0.00 H new ATOM 0 HB3 MET A 20 5.997 -3.827 3.394 1.00 0.00 H new ATOM 0 HG2 MET A 20 5.834 -1.435 3.011 1.00 0.00 H new ATOM 0 HG3 MET A 20 7.271 -1.138 3.969 1.00 0.00 H new ATOM 0 HE1 MET A 20 10.231 -1.902 1.762 1.00 0.00 H new ATOM 0 HE2 MET A 20 9.560 -0.889 3.062 1.00 0.00 H new ATOM 0 HE3 MET A 20 9.616 -2.658 3.251 1.00 0.00 H new ATOM 390 N ILE A 21 6.472 -0.869 6.469 1.00 0.00 N ATOM 391 CA ILE A 21 7.123 0.018 7.449 1.00 0.00 C ATOM 392 C ILE A 21 6.593 -0.275 8.861 1.00 0.00 C ATOM 393 O ILE A 21 7.366 -0.590 9.770 1.00 0.00 O ATOM 394 CB ILE A 21 6.913 1.502 7.046 1.00 0.00 C ATOM 395 CG1 ILE A 21 7.675 1.832 5.740 1.00 0.00 C ATOM 396 CG2 ILE A 21 7.381 2.451 8.164 1.00 0.00 C ATOM 397 CD1 ILE A 21 7.198 3.129 5.069 1.00 0.00 C ATOM 0 H ILE A 21 5.819 -0.381 5.855 1.00 0.00 H new ATOM 0 HA ILE A 21 8.196 -0.172 7.456 1.00 0.00 H new ATOM 0 HB ILE A 21 5.845 1.647 6.883 1.00 0.00 H new ATOM 0 HG12 ILE A 21 8.739 1.915 5.960 1.00 0.00 H new ATOM 0 HG13 ILE A 21 7.558 1.005 5.040 1.00 0.00 H new ATOM 0 HG21 ILE A 21 7.222 3.484 7.855 1.00 0.00 H new ATOM 0 HG22 ILE A 21 6.811 2.252 9.072 1.00 0.00 H new ATOM 0 HG23 ILE A 21 8.441 2.289 8.358 1.00 0.00 H new ATOM 0 HD11 ILE A 21 7.773 3.301 4.159 1.00 0.00 H new ATOM 0 HD12 ILE A 21 6.141 3.042 4.819 1.00 0.00 H new ATOM 0 HD13 ILE A 21 7.341 3.966 5.752 1.00 0.00 H new ATOM 409 N VAL A 22 5.272 -0.227 9.049 1.00 0.00 N ATOM 410 CA VAL A 22 4.598 -0.473 10.338 1.00 0.00 C ATOM 411 C VAL A 22 4.905 -1.867 10.870 1.00 0.00 C ATOM 412 O VAL A 22 5.135 -2.010 12.065 1.00 0.00 O ATOM 413 CB VAL A 22 3.079 -0.266 10.213 1.00 0.00 C ATOM 414 CG1 VAL A 22 2.292 -0.609 11.485 1.00 0.00 C ATOM 415 CG2 VAL A 22 2.776 1.208 9.917 1.00 0.00 C ATOM 0 H VAL A 22 4.621 -0.011 8.294 1.00 0.00 H new ATOM 0 HA VAL A 22 4.987 0.252 11.053 1.00 0.00 H new ATOM 0 HB VAL A 22 2.770 -0.939 9.413 1.00 0.00 H new ATOM 0 HG11 VAL A 22 1.230 -0.436 11.313 1.00 0.00 H new ATOM 0 HG12 VAL A 22 2.452 -1.656 11.741 1.00 0.00 H new ATOM 0 HG13 VAL A 22 2.634 0.021 12.306 1.00 0.00 H new ATOM 0 HG21 VAL A 22 1.699 1.348 9.830 1.00 0.00 H new ATOM 0 HG22 VAL A 22 3.158 1.828 10.728 1.00 0.00 H new ATOM 0 HG23 VAL A 22 3.256 1.498 8.982 1.00 0.00 H new ATOM 425 N GLY A 23 5.010 -2.877 10.004 1.00 0.00 N ATOM 426 CA GLY A 23 5.348 -4.251 10.381 1.00 0.00 C ATOM 427 C GLY A 23 6.673 -4.400 11.151 1.00 0.00 C ATOM 428 O GLY A 23 6.848 -5.379 11.880 1.00 0.00 O ATOM 0 H GLY A 23 4.860 -2.761 9.002 1.00 0.00 H new ATOM 0 HA2 GLY A 23 4.541 -4.654 10.993 1.00 0.00 H new ATOM 0 HA3 GLY A 23 5.398 -4.859 9.478 1.00 0.00 H new ATOM 432 N GLY A 24 7.591 -3.430 11.023 1.00 0.00 N ATOM 433 CA GLY A 24 8.860 -3.353 11.758 1.00 0.00 C ATOM 434 C GLY A 24 8.912 -2.245 12.825 1.00 0.00 C ATOM 435 O GLY A 24 9.697 -2.358 13.768 1.00 0.00 O ATOM 0 H GLY A 24 7.464 -2.649 10.380 1.00 0.00 H new ATOM 0 HA2 GLY A 24 9.045 -4.313 12.240 1.00 0.00 H new ATOM 0 HA3 GLY A 24 9.669 -3.192 11.045 1.00 0.00 H new ATOM 439 N LEU A 25 8.083 -1.196 12.721 1.00 0.00 N ATOM 440 CA LEU A 25 8.000 -0.110 13.713 1.00 0.00 C ATOM 441 C LEU A 25 7.015 -0.386 14.862 1.00 0.00 C ATOM 442 O LEU A 25 7.254 0.072 15.979 1.00 0.00 O ATOM 443 CB LEU A 25 7.643 1.222 13.021 1.00 0.00 C ATOM 444 CG LEU A 25 8.702 1.776 12.045 1.00 0.00 C ATOM 445 CD1 LEU A 25 8.269 3.168 11.578 1.00 0.00 C ATOM 446 CD2 LEU A 25 10.089 1.918 12.677 1.00 0.00 C ATOM 0 H LEU A 25 7.443 -1.075 11.936 1.00 0.00 H new ATOM 0 HA LEU A 25 8.989 -0.045 14.168 1.00 0.00 H new ATOM 0 HB2 LEU A 25 6.709 1.088 12.476 1.00 0.00 H new ATOM 0 HB3 LEU A 25 7.458 1.971 13.791 1.00 0.00 H new ATOM 0 HG LEU A 25 8.772 1.063 11.224 1.00 0.00 H new ATOM 0 HD11 LEU A 25 9.012 3.568 10.888 1.00 0.00 H new ATOM 0 HD12 LEU A 25 7.305 3.099 11.074 1.00 0.00 H new ATOM 0 HD13 LEU A 25 8.181 3.830 12.440 1.00 0.00 H new ATOM 0 HD21 LEU A 25 10.787 2.312 11.938 1.00 0.00 H new ATOM 0 HD22 LEU A 25 10.034 2.601 13.525 1.00 0.00 H new ATOM 0 HD23 LEU A 25 10.435 0.942 13.018 1.00 0.00 H new ATOM 458 N VAL A 26 5.940 -1.153 14.634 1.00 0.00 N ATOM 459 CA VAL A 26 4.886 -1.458 15.627 1.00 0.00 C ATOM 460 C VAL A 26 5.429 -2.161 16.880 1.00 0.00 C ATOM 461 O VAL A 26 4.924 -1.953 17.985 1.00 0.00 O ATOM 462 CB VAL A 26 3.743 -2.269 14.972 1.00 0.00 C ATOM 463 CG1 VAL A 26 4.120 -3.716 14.621 1.00 0.00 C ATOM 464 CG2 VAL A 26 2.474 -2.290 15.828 1.00 0.00 C ATOM 0 H VAL A 26 5.770 -1.594 13.730 1.00 0.00 H new ATOM 0 HA VAL A 26 4.484 -0.504 15.969 1.00 0.00 H new ATOM 0 HB VAL A 26 3.551 -1.736 14.041 1.00 0.00 H new ATOM 0 HG11 VAL A 26 3.264 -4.215 14.166 1.00 0.00 H new ATOM 0 HG12 VAL A 26 4.954 -3.715 13.919 1.00 0.00 H new ATOM 0 HG13 VAL A 26 4.410 -4.247 15.528 1.00 0.00 H new ATOM 0 HG21 VAL A 26 1.704 -2.872 15.322 1.00 0.00 H new ATOM 0 HG22 VAL A 26 2.695 -2.742 16.795 1.00 0.00 H new ATOM 0 HG23 VAL A 26 2.119 -1.270 15.977 1.00 0.00 H new ATOM 474 N LYS A 27 6.496 -2.955 16.719 1.00 0.00 N ATOM 475 CA LYS A 27 7.184 -3.691 17.792 1.00 0.00 C ATOM 476 C LYS A 27 8.174 -2.843 18.615 1.00 0.00 C ATOM 477 O LYS A 27 8.600 -3.304 19.676 1.00 0.00 O ATOM 478 CB LYS A 27 7.828 -4.957 17.188 1.00 0.00 C ATOM 479 CG LYS A 27 9.093 -4.719 16.340 1.00 0.00 C ATOM 480 CD LYS A 27 10.387 -4.934 17.141 1.00 0.00 C ATOM 481 CE LYS A 27 11.618 -4.634 16.281 1.00 0.00 C ATOM 482 NZ LYS A 27 12.847 -4.597 17.113 1.00 0.00 N ATOM 0 H LYS A 27 6.921 -3.109 15.805 1.00 0.00 H new ATOM 0 HA LYS A 27 6.438 -3.981 18.532 1.00 0.00 H new ATOM 0 HB2 LYS A 27 8.080 -5.638 18.001 1.00 0.00 H new ATOM 0 HB3 LYS A 27 7.086 -5.460 16.568 1.00 0.00 H new ATOM 0 HG2 LYS A 27 9.084 -5.392 15.483 1.00 0.00 H new ATOM 0 HG3 LYS A 27 9.077 -3.702 15.947 1.00 0.00 H new ATOM 0 HD2 LYS A 27 10.387 -4.289 18.020 1.00 0.00 H new ATOM 0 HD3 LYS A 27 10.431 -5.962 17.500 1.00 0.00 H new ATOM 0 HE2 LYS A 27 11.720 -5.395 15.507 1.00 0.00 H new ATOM 0 HE3 LYS A 27 11.488 -3.678 15.773 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 13.684 -4.579 16.496 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 12.838 -3.744 17.708 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 12.882 -5.442 17.719 1.00 0.00 H new ATOM 496 N LYS A 28 8.516 -1.628 18.150 1.00 0.00 N ATOM 497 CA LYS A 28 9.559 -0.714 18.674 1.00 0.00 C ATOM 498 C LYS A 28 10.861 -1.438 19.086 1.00 0.00 C ATOM 499 O LYS A 28 11.176 -1.546 20.294 1.00 0.00 O ATOM 500 CB LYS A 28 8.956 0.185 19.779 1.00 0.00 C ATOM 501 CG LYS A 28 8.075 1.351 19.286 1.00 0.00 C ATOM 502 CD LYS A 28 8.884 2.558 18.771 1.00 0.00 C ATOM 503 CE LYS A 28 9.113 2.548 17.253 1.00 0.00 C ATOM 504 NZ LYS A 28 10.260 3.418 16.874 1.00 0.00 N ATOM 505 OXT LYS A 28 11.593 -1.874 18.168 1.00 0.00 O ATOM 0 H LYS A 28 8.040 -1.227 17.342 1.00 0.00 H new ATOM 0 HA LYS A 28 9.884 -0.063 17.863 1.00 0.00 H new ATOM 0 HB2 LYS A 28 8.361 -0.439 20.445 1.00 0.00 H new ATOM 0 HB3 LYS A 28 9.772 0.596 20.373 1.00 0.00 H new ATOM 0 HG2 LYS A 28 7.425 0.992 18.488 1.00 0.00 H new ATOM 0 HG3 LYS A 28 7.429 1.678 20.101 1.00 0.00 H new ATOM 0 HD2 LYS A 28 8.363 3.476 19.044 1.00 0.00 H new ATOM 0 HD3 LYS A 28 9.850 2.577 19.275 1.00 0.00 H new ATOM 0 HE2 LYS A 28 9.301 1.528 16.918 1.00 0.00 H new ATOM 0 HE3 LYS A 28 8.211 2.889 16.745 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 10.390 3.391 15.843 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 10.068 4.395 17.173 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 11.124 3.076 17.341 1.00 0.00 H new TER 519 LYS A 28