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= 0.688 K(o=0.69,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) 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 -143:sc= 0 (180deg=-0.0419) 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 19.056 -6.602 10.203 1.00 0.00 N ATOM 2 CA LYS A 1 17.791 -6.904 10.936 1.00 0.00 C ATOM 3 C LYS A 1 16.801 -7.673 10.041 1.00 0.00 C ATOM 4 O LYS A 1 15.826 -7.105 9.542 1.00 0.00 O ATOM 5 CB LYS A 1 17.142 -5.632 11.554 1.00 0.00 C ATOM 6 CG LYS A 1 18.027 -4.911 12.596 1.00 0.00 C ATOM 7 CD LYS A 1 18.742 -3.663 12.041 1.00 0.00 C ATOM 8 CE LYS A 1 17.859 -2.412 12.168 1.00 0.00 C ATOM 9 NZ LYS A 1 18.352 -1.299 11.313 1.00 0.00 N ATOM 0 H1 LYS A 1 19.705 -6.084 10.829 1.00 0.00 H new ATOM 0 H2 LYS A 1 19.503 -7.491 9.901 1.00 0.00 H new ATOM 0 H3 LYS A 1 18.843 -6.020 9.368 1.00 0.00 H new ATOM 0 HA LYS A 1 18.055 -7.550 11.773 1.00 0.00 H new ATOM 0 HB2 LYS A 1 16.903 -4.934 10.752 1.00 0.00 H new ATOM 0 HB3 LYS A 1 16.200 -5.911 12.025 1.00 0.00 H new ATOM 0 HG2 LYS A 1 17.409 -4.618 13.445 1.00 0.00 H new ATOM 0 HG3 LYS A 1 18.774 -5.610 12.972 1.00 0.00 H new ATOM 0 HD2 LYS A 1 19.677 -3.507 12.579 1.00 0.00 H new ATOM 0 HD3 LYS A 1 19.000 -3.824 10.994 1.00 0.00 H new ATOM 0 HE2 LYS A 1 16.835 -2.660 11.888 1.00 0.00 H new ATOM 0 HE3 LYS A 1 17.835 -2.088 13.208 1.00 0.00 H new ATOM 0 HZ1 LYS A 1 17.730 -0.473 11.426 1.00 0.00 H new ATOM 0 HZ2 LYS A 1 19.320 -1.046 11.597 1.00 0.00 H new ATOM 0 HZ3 LYS A 1 18.351 -1.599 10.317 1.00 0.00 H new ATOM 25 N LYS A 2 17.016 -8.985 9.840 1.00 0.00 N ATOM 26 CA LYS A 2 16.232 -9.838 8.909 1.00 0.00 C ATOM 27 C LYS A 2 14.728 -9.882 9.228 1.00 0.00 C ATOM 28 O LYS A 2 13.905 -9.931 8.315 1.00 0.00 O ATOM 29 CB LYS A 2 16.828 -11.262 8.875 1.00 0.00 C ATOM 30 CG LYS A 2 16.951 -11.836 7.452 1.00 0.00 C ATOM 31 CD LYS A 2 18.136 -11.228 6.684 1.00 0.00 C ATOM 32 CE LYS A 2 18.358 -11.971 5.360 1.00 0.00 C ATOM 33 NZ LYS A 2 19.573 -11.482 4.655 1.00 0.00 N ATOM 0 H LYS A 2 17.752 -9.498 10.326 1.00 0.00 H new ATOM 0 HA LYS A 2 16.310 -9.380 7.923 1.00 0.00 H new ATOM 0 HB2 LYS A 2 17.814 -11.247 9.340 1.00 0.00 H new ATOM 0 HB3 LYS A 2 16.203 -11.924 9.474 1.00 0.00 H new ATOM 0 HG2 LYS A 2 17.072 -12.918 7.507 1.00 0.00 H new ATOM 0 HG3 LYS A 2 16.028 -11.646 6.904 1.00 0.00 H new ATOM 0 HD2 LYS A 2 17.947 -10.173 6.488 1.00 0.00 H new ATOM 0 HD3 LYS A 2 19.038 -11.282 7.294 1.00 0.00 H new ATOM 0 HE2 LYS A 2 18.454 -13.039 5.553 1.00 0.00 H new ATOM 0 HE3 LYS A 2 17.487 -11.840 4.718 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 19.692 -12.006 3.765 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 19.470 -10.468 4.449 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 20.407 -11.630 5.258 1.00 0.00 H new ATOM 47 N LYS A 3 14.368 -9.766 10.512 1.00 0.00 N ATOM 48 CA LYS A 3 12.987 -9.681 11.034 1.00 0.00 C ATOM 49 C LYS A 3 12.137 -8.549 10.430 1.00 0.00 C ATOM 50 O LYS A 3 10.910 -8.648 10.409 1.00 0.00 O ATOM 51 CB LYS A 3 13.036 -9.593 12.573 1.00 0.00 C ATOM 52 CG LYS A 3 13.447 -8.208 13.112 1.00 0.00 C ATOM 53 CD LYS A 3 13.797 -8.249 14.609 1.00 0.00 C ATOM 54 CE LYS A 3 15.258 -8.671 14.848 1.00 0.00 C ATOM 55 NZ LYS A 3 16.105 -7.525 15.281 1.00 0.00 N ATOM 0 H LYS A 3 15.063 -9.726 11.258 1.00 0.00 H new ATOM 0 HA LYS A 3 12.475 -10.591 10.721 1.00 0.00 H new ATOM 0 HB2 LYS A 3 12.055 -9.850 12.972 1.00 0.00 H new ATOM 0 HB3 LYS A 3 13.737 -10.339 12.947 1.00 0.00 H new ATOM 0 HG2 LYS A 3 14.306 -7.841 12.550 1.00 0.00 H new ATOM 0 HG3 LYS A 3 12.634 -7.501 12.950 1.00 0.00 H new ATOM 0 HD2 LYS A 3 13.627 -7.266 15.048 1.00 0.00 H new ATOM 0 HD3 LYS A 3 13.131 -8.945 15.118 1.00 0.00 H new ATOM 0 HE2 LYS A 3 15.290 -9.453 15.607 1.00 0.00 H new ATOM 0 HE3 LYS A 3 15.667 -9.098 13.932 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 17.081 -7.852 15.431 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 16.095 -6.789 14.546 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 15.731 -7.133 16.169 1.00 0.00 H new ATOM 69 N ASN A 4 12.782 -7.495 9.917 1.00 0.00 N ATOM 70 CA ASN A 4 12.155 -6.320 9.304 1.00 0.00 C ATOM 71 C ASN A 4 12.312 -6.296 7.764 1.00 0.00 C ATOM 72 O ASN A 4 11.837 -5.365 7.113 1.00 0.00 O ATOM 73 CB ASN A 4 12.735 -5.062 9.992 1.00 0.00 C ATOM 74 CG ASN A 4 11.728 -3.932 10.154 1.00 0.00 C ATOM 75 OD1 ASN A 4 11.433 -3.486 11.254 1.00 0.00 O ATOM 76 ND2 ASN A 4 11.167 -3.425 9.082 1.00 0.00 N ATOM 0 H ASN A 4 13.800 -7.436 9.918 1.00 0.00 H new ATOM 0 HA ASN A 4 11.077 -6.353 9.461 1.00 0.00 H new ATOM 0 HB2 ASN A 4 13.117 -5.340 10.974 1.00 0.00 H new ATOM 0 HB3 ASN A 4 13.583 -4.700 9.411 1.00 0.00 H new ATOM 0 HD21 ASN A 4 10.492 -2.666 9.170 1.00 0.00 H new ATOM 0 HD22 ASN A 4 11.406 -3.790 8.160 1.00 0.00 H new ATOM 83 N TRP A 5 12.963 -7.299 7.161 1.00 0.00 N ATOM 84 CA TRP A 5 13.176 -7.397 5.708 1.00 0.00 C ATOM 85 C TRP A 5 11.880 -7.683 4.930 1.00 0.00 C ATOM 86 O TRP A 5 11.692 -7.186 3.819 1.00 0.00 O ATOM 87 CB TRP A 5 14.221 -8.486 5.432 1.00 0.00 C ATOM 88 CG TRP A 5 14.766 -8.502 4.037 1.00 0.00 C ATOM 89 CD1 TRP A 5 14.565 -9.475 3.118 1.00 0.00 C ATOM 90 CD2 TRP A 5 15.602 -7.497 3.386 1.00 0.00 C ATOM 91 NE1 TRP A 5 15.220 -9.142 1.946 1.00 0.00 N ATOM 92 CE2 TRP A 5 15.872 -7.931 2.054 1.00 0.00 C ATOM 93 CE3 TRP A 5 16.157 -6.261 3.786 1.00 0.00 C ATOM 94 CZ2 TRP A 5 16.652 -7.178 1.163 1.00 0.00 C ATOM 95 CZ3 TRP A 5 16.940 -5.496 2.900 1.00 0.00 C ATOM 96 CH2 TRP A 5 17.189 -5.951 1.592 1.00 0.00 C ATOM 0 H TRP A 5 13.365 -8.081 7.678 1.00 0.00 H new ATOM 0 HA TRP A 5 13.533 -6.429 5.356 1.00 0.00 H new ATOM 0 HB2 TRP A 5 15.050 -8.358 6.128 1.00 0.00 H new ATOM 0 HB3 TRP A 5 13.775 -9.458 5.643 1.00 0.00 H new ATOM 0 HD1 TRP A 5 13.984 -10.372 3.275 1.00 0.00 H new ATOM 0 HE1 TRP A 5 15.221 -9.720 1.106 1.00 0.00 H new ATOM 0 HE3 TRP A 5 15.978 -5.897 4.787 1.00 0.00 H new ATOM 0 HZ2 TRP A 5 16.837 -7.536 0.161 1.00 0.00 H new ATOM 0 HZ3 TRP A 5 17.352 -4.553 3.227 1.00 0.00 H new ATOM 0 HH2 TRP A 5 17.791 -5.359 0.919 1.00 0.00 H new ATOM 107 N PHE A 6 10.960 -8.447 5.530 1.00 0.00 N ATOM 108 CA PHE A 6 9.635 -8.763 4.986 1.00 0.00 C ATOM 109 C PHE A 6 8.561 -7.688 5.268 1.00 0.00 C ATOM 110 O PHE A 6 7.367 -7.957 5.134 1.00 0.00 O ATOM 111 CB PHE A 6 9.203 -10.166 5.462 1.00 0.00 C ATOM 112 CG PHE A 6 8.833 -11.100 4.321 1.00 0.00 C ATOM 113 CD1 PHE A 6 7.951 -10.677 3.306 1.00 0.00 C ATOM 114 CD2 PHE A 6 9.404 -12.384 4.253 1.00 0.00 C ATOM 115 CE1 PHE A 6 7.655 -11.524 2.225 1.00 0.00 C ATOM 116 CE2 PHE A 6 9.094 -13.240 3.179 1.00 0.00 C ATOM 117 CZ PHE A 6 8.223 -12.809 2.162 1.00 0.00 C ATOM 0 H PHE A 6 11.124 -8.877 6.440 1.00 0.00 H new ATOM 0 HA PHE A 6 9.725 -8.765 3.900 1.00 0.00 H new ATOM 0 HB2 PHE A 6 10.013 -10.612 6.039 1.00 0.00 H new ATOM 0 HB3 PHE A 6 8.350 -10.068 6.133 1.00 0.00 H new ATOM 0 HD1 PHE A 6 7.501 -9.697 3.360 1.00 0.00 H new ATOM 0 HD2 PHE A 6 10.082 -12.714 5.026 1.00 0.00 H new ATOM 0 HE1 PHE A 6 6.991 -11.188 1.442 1.00 0.00 H new ATOM 0 HE2 PHE A 6 9.526 -14.229 3.136 1.00 0.00 H new ATOM 0 HZ PHE A 6 7.991 -13.463 1.335 1.00 0.00 H new ATOM 127 N ASP A 7 8.947 -6.460 5.637 1.00 0.00 N ATOM 128 CA ASP A 7 8.016 -5.343 5.879 1.00 0.00 C ATOM 129 C ASP A 7 7.066 -5.028 4.707 1.00 0.00 C ATOM 130 O ASP A 7 6.034 -4.393 4.921 1.00 0.00 O ATOM 131 CB ASP A 7 8.769 -4.073 6.312 1.00 0.00 C ATOM 132 CG ASP A 7 9.467 -3.311 5.165 1.00 0.00 C ATOM 133 OD1 ASP A 7 10.123 -3.943 4.307 1.00 0.00 O ATOM 134 OD2 ASP A 7 9.360 -2.061 5.128 1.00 0.00 O ATOM 0 H ASP A 7 9.925 -6.208 5.778 1.00 0.00 H new ATOM 0 HA ASP A 7 7.378 -5.687 6.693 1.00 0.00 H new ATOM 0 HB2 ASP A 7 8.065 -3.400 6.801 1.00 0.00 H new ATOM 0 HB3 ASP A 7 9.517 -4.347 7.055 1.00 0.00 H new ATOM 139 N ILE A 8 7.363 -5.516 3.493 1.00 0.00 N ATOM 140 CA ILE A 8 6.539 -5.400 2.278 1.00 0.00 C ATOM 141 C ILE A 8 5.072 -5.813 2.488 1.00 0.00 C ATOM 142 O ILE A 8 4.198 -5.318 1.781 1.00 0.00 O ATOM 143 CB ILE A 8 7.177 -6.126 1.065 1.00 0.00 C ATOM 144 CG1 ILE A 8 6.937 -7.651 1.069 1.00 0.00 C ATOM 145 CG2 ILE A 8 8.686 -5.828 0.979 1.00 0.00 C ATOM 146 CD1 ILE A 8 7.518 -8.383 -0.148 1.00 0.00 C ATOM 0 H ILE A 8 8.228 -6.028 3.322 1.00 0.00 H new ATOM 0 HA ILE A 8 6.516 -4.336 2.044 1.00 0.00 H new ATOM 0 HB ILE A 8 6.677 -5.730 0.181 1.00 0.00 H new ATOM 0 HG12 ILE A 8 7.372 -8.073 1.975 1.00 0.00 H new ATOM 0 HG13 ILE A 8 5.864 -7.838 1.113 1.00 0.00 H new ATOM 0 HG21 ILE A 8 9.111 -6.348 0.121 1.00 0.00 H new ATOM 0 HG22 ILE A 8 8.839 -4.755 0.865 1.00 0.00 H new ATOM 0 HG23 ILE A 8 9.177 -6.170 1.890 1.00 0.00 H new ATOM 0 HD11 ILE A 8 7.306 -9.449 -0.067 1.00 0.00 H new ATOM 0 HD12 ILE A 8 7.065 -7.991 -1.059 1.00 0.00 H new ATOM 0 HD13 ILE A 8 8.597 -8.230 -0.184 1.00 0.00 H new ATOM 158 N THR A 9 4.772 -6.671 3.472 1.00 0.00 N ATOM 159 CA THR A 9 3.401 -7.063 3.844 1.00 0.00 C ATOM 160 C THR A 9 2.575 -5.867 4.334 1.00 0.00 C ATOM 161 O THR A 9 1.383 -5.777 4.035 1.00 0.00 O ATOM 162 CB THR A 9 3.409 -8.138 4.939 1.00 0.00 C ATOM 163 OG1 THR A 9 4.117 -7.679 6.072 1.00 0.00 O ATOM 164 CG2 THR A 9 4.045 -9.445 4.459 1.00 0.00 C ATOM 0 H THR A 9 5.486 -7.122 4.044 1.00 0.00 H new ATOM 0 HA THR A 9 2.941 -7.463 2.940 1.00 0.00 H new ATOM 0 HB THR A 9 2.368 -8.334 5.196 1.00 0.00 H new ATOM 0 HG1 THR A 9 4.113 -8.373 6.764 1.00 0.00 H new ATOM 0 HG21 THR A 9 4.028 -10.176 5.267 1.00 0.00 H new ATOM 0 HG22 THR A 9 3.484 -9.832 3.608 1.00 0.00 H new ATOM 0 HG23 THR A 9 5.076 -9.259 4.159 1.00 0.00 H new ATOM 172 N ASN A 10 3.197 -4.920 5.050 1.00 0.00 N ATOM 173 CA ASN A 10 2.574 -3.672 5.497 1.00 0.00 C ATOM 174 C ASN A 10 2.525 -2.622 4.375 1.00 0.00 C ATOM 175 O ASN A 10 1.603 -1.808 4.353 1.00 0.00 O ATOM 176 CB ASN A 10 3.300 -3.133 6.742 1.00 0.00 C ATOM 177 CG ASN A 10 2.841 -3.830 8.012 1.00 0.00 C ATOM 178 OD1 ASN A 10 1.707 -3.687 8.450 1.00 0.00 O ATOM 179 ND2 ASN A 10 3.693 -4.591 8.660 1.00 0.00 N ATOM 0 H ASN A 10 4.171 -5.005 5.340 1.00 0.00 H new ATOM 0 HA ASN A 10 1.540 -3.888 5.767 1.00 0.00 H new ATOM 0 HB2 ASN A 10 4.375 -3.268 6.622 1.00 0.00 H new ATOM 0 HB3 ASN A 10 3.121 -2.061 6.831 1.00 0.00 H new ATOM 0 HD21 ASN A 10 3.408 -5.057 9.521 1.00 0.00 H new ATOM 0 HD22 ASN A 10 4.640 -4.716 8.302 1.00 0.00 H new ATOM 186 N TRP A 11 3.455 -2.650 3.409 1.00 0.00 N ATOM 187 CA TRP A 11 3.416 -1.752 2.246 1.00 0.00 C ATOM 188 C TRP A 11 2.127 -1.926 1.429 1.00 0.00 C ATOM 189 O TRP A 11 1.587 -0.940 0.924 1.00 0.00 O ATOM 190 CB TRP A 11 4.651 -1.932 1.360 1.00 0.00 C ATOM 191 CG TRP A 11 5.910 -1.299 1.870 1.00 0.00 C ATOM 192 CD1 TRP A 11 6.646 -1.705 2.926 1.00 0.00 C ATOM 193 CD2 TRP A 11 6.593 -0.122 1.351 1.00 0.00 C ATOM 194 NE1 TRP A 11 7.756 -0.896 3.068 1.00 0.00 N ATOM 195 CE2 TRP A 11 7.772 0.107 2.121 1.00 0.00 C ATOM 196 CE3 TRP A 11 6.319 0.773 0.301 1.00 0.00 C ATOM 197 CZ2 TRP A 11 8.649 1.168 1.846 1.00 0.00 C ATOM 198 CZ3 TRP A 11 7.189 1.844 0.014 1.00 0.00 C ATOM 199 CH2 TRP A 11 8.353 2.039 0.781 1.00 0.00 C ATOM 0 H TRP A 11 4.249 -3.290 3.411 1.00 0.00 H new ATOM 0 HA TRP A 11 3.423 -0.733 2.633 1.00 0.00 H new ATOM 0 HB2 TRP A 11 4.829 -2.999 1.228 1.00 0.00 H new ATOM 0 HB3 TRP A 11 4.432 -1.521 0.374 1.00 0.00 H new ATOM 0 HD1 TRP A 11 6.402 -2.540 3.566 1.00 0.00 H new ATOM 0 HE1 TRP A 11 8.473 -1.024 3.782 1.00 0.00 H new ATOM 0 HE3 TRP A 11 5.428 0.637 -0.294 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 9.537 1.314 2.443 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 6.961 2.518 -0.798 1.00 0.00 H new ATOM 0 HH2 TRP A 11 9.019 2.858 0.552 1.00 0.00 H new ATOM 210 N LEU A 12 1.576 -3.148 1.379 1.00 0.00 N ATOM 211 CA LEU A 12 0.296 -3.466 0.730 1.00 0.00 C ATOM 212 C LEU A 12 -0.866 -2.597 1.242 1.00 0.00 C ATOM 213 O LEU A 12 -1.793 -2.315 0.483 1.00 0.00 O ATOM 214 CB LEU A 12 -0.063 -4.955 0.923 1.00 0.00 C ATOM 215 CG LEU A 12 1.012 -5.983 0.528 1.00 0.00 C ATOM 216 CD1 LEU A 12 0.484 -7.401 0.741 1.00 0.00 C ATOM 217 CD2 LEU A 12 1.462 -5.846 -0.926 1.00 0.00 C ATOM 0 H LEU A 12 2.020 -3.964 1.800 1.00 0.00 H new ATOM 0 HA LEU A 12 0.434 -3.250 -0.329 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -0.314 -5.111 1.972 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -0.963 -5.165 0.346 1.00 0.00 H new ATOM 0 HG LEU A 12 1.874 -5.787 1.166 1.00 0.00 H new ATOM 0 HD11 LEU A 12 1.252 -8.121 0.459 1.00 0.00 H new ATOM 0 HD12 LEU A 12 0.225 -7.539 1.791 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -0.402 -7.556 0.126 1.00 0.00 H new ATOM 0 HD21 LEU A 12 2.220 -6.598 -1.145 1.00 0.00 H new ATOM 0 HD22 LEU A 12 0.607 -5.990 -1.587 1.00 0.00 H new ATOM 0 HD23 LEU A 12 1.880 -4.852 -1.085 1.00 0.00 H new ATOM 229 N TRP A 13 -0.809 -2.136 2.497 1.00 0.00 N ATOM 230 CA TRP A 13 -1.812 -1.244 3.087 1.00 0.00 C ATOM 231 C TRP A 13 -1.870 0.106 2.376 1.00 0.00 C ATOM 232 O TRP A 13 -2.939 0.513 1.930 1.00 0.00 O ATOM 233 CB TRP A 13 -1.536 -1.049 4.578 1.00 0.00 C ATOM 234 CG TRP A 13 -2.617 -0.315 5.312 1.00 0.00 C ATOM 235 CD1 TRP A 13 -3.761 -0.864 5.782 1.00 0.00 C ATOM 236 CD2 TRP A 13 -2.693 1.109 5.634 1.00 0.00 C ATOM 237 NE1 TRP A 13 -4.536 0.119 6.372 1.00 0.00 N ATOM 238 CE2 TRP A 13 -3.927 1.354 6.308 1.00 0.00 C ATOM 239 CE3 TRP A 13 -1.849 2.221 5.418 1.00 0.00 C ATOM 240 CZ2 TRP A 13 -4.301 2.632 6.751 1.00 0.00 C ATOM 241 CZ3 TRP A 13 -2.215 3.508 5.855 1.00 0.00 C ATOM 242 CH2 TRP A 13 -3.435 3.716 6.524 1.00 0.00 C ATOM 0 H TRP A 13 -0.054 -2.376 3.140 1.00 0.00 H new ATOM 0 HA TRP A 13 -2.785 -1.719 2.961 1.00 0.00 H new ATOM 0 HB2 TRP A 13 -1.397 -2.026 5.041 1.00 0.00 H new ATOM 0 HB3 TRP A 13 -0.599 -0.504 4.694 1.00 0.00 H new ATOM 0 HD1 TRP A 13 -4.028 -1.908 5.708 1.00 0.00 H new ATOM 0 HE1 TRP A 13 -5.446 -0.050 6.801 1.00 0.00 H new ATOM 0 HE3 TRP A 13 -0.907 2.081 4.909 1.00 0.00 H new ATOM 0 HZ2 TRP A 13 -5.242 2.781 7.260 1.00 0.00 H new ATOM 0 HZ3 TRP A 13 -1.554 4.343 5.675 1.00 0.00 H new ATOM 0 HH2 TRP A 13 -3.705 4.705 6.862 1.00 0.00 H new ATOM 253 N TYR A 14 -0.729 0.786 2.219 1.00 0.00 N ATOM 254 CA TYR A 14 -0.642 2.057 1.490 1.00 0.00 C ATOM 255 C TYR A 14 -1.025 1.896 0.014 1.00 0.00 C ATOM 256 O TYR A 14 -1.663 2.783 -0.555 1.00 0.00 O ATOM 257 CB TYR A 14 0.770 2.650 1.599 1.00 0.00 C ATOM 258 CG TYR A 14 1.266 2.831 3.020 1.00 0.00 C ATOM 259 CD1 TYR A 14 0.864 3.945 3.782 1.00 0.00 C ATOM 260 CD2 TYR A 14 2.120 1.866 3.582 1.00 0.00 C ATOM 261 CE1 TYR A 14 1.323 4.091 5.108 1.00 0.00 C ATOM 262 CE2 TYR A 14 2.573 2.000 4.908 1.00 0.00 C ATOM 263 CZ TYR A 14 2.174 3.117 5.676 1.00 0.00 C ATOM 264 OH TYR A 14 2.607 3.263 6.959 1.00 0.00 O ATOM 0 H TYR A 14 0.164 0.469 2.596 1.00 0.00 H new ATOM 0 HA TYR A 14 -1.355 2.740 1.951 1.00 0.00 H new ATOM 0 HB2 TYR A 14 1.465 2.002 1.064 1.00 0.00 H new ATOM 0 HB3 TYR A 14 0.784 3.617 1.096 1.00 0.00 H new ATOM 0 HD1 TYR A 14 0.206 4.686 3.352 1.00 0.00 H new ATOM 0 HD2 TYR A 14 2.431 1.016 2.992 1.00 0.00 H new ATOM 0 HE1 TYR A 14 1.023 4.950 5.690 1.00 0.00 H new ATOM 0 HE2 TYR A 14 3.223 1.252 5.337 1.00 0.00 H new ATOM 0 HH TYR A 14 3.183 2.507 7.198 1.00 0.00 H new ATOM 274 N ILE A 15 -0.687 0.754 -0.602 1.00 0.00 N ATOM 275 CA ILE A 15 -1.066 0.466 -1.998 1.00 0.00 C ATOM 276 C ILE A 15 -2.584 0.279 -2.126 1.00 0.00 C ATOM 277 O ILE A 15 -3.202 0.880 -3.001 1.00 0.00 O ATOM 278 CB ILE A 15 -0.295 -0.737 -2.584 1.00 0.00 C ATOM 279 CG1 ILE A 15 1.238 -0.559 -2.518 1.00 0.00 C ATOM 280 CG2 ILE A 15 -0.732 -0.993 -4.039 1.00 0.00 C ATOM 281 CD1 ILE A 15 1.821 0.629 -3.299 1.00 0.00 C ATOM 0 H ILE A 15 -0.150 0.011 -0.156 1.00 0.00 H new ATOM 0 HA ILE A 15 -0.780 1.333 -2.593 1.00 0.00 H new ATOM 0 HB ILE A 15 -0.543 -1.599 -1.965 1.00 0.00 H new ATOM 0 HG12 ILE A 15 1.525 -0.454 -1.472 1.00 0.00 H new ATOM 0 HG13 ILE A 15 1.704 -1.473 -2.887 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -0.181 -1.844 -4.440 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -1.800 -1.208 -4.066 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -0.524 -0.109 -4.642 1.00 0.00 H new ATOM 0 HD11 ILE A 15 2.904 0.649 -3.176 1.00 0.00 H new ATOM 0 HD12 ILE A 15 1.578 0.524 -4.356 1.00 0.00 H new ATOM 0 HD13 ILE A 15 1.396 1.558 -2.919 1.00 0.00 H new ATOM 293 N LYS A 16 -3.212 -0.511 -1.249 1.00 0.00 N ATOM 294 CA LYS A 16 -4.678 -0.674 -1.217 1.00 0.00 C ATOM 295 C LYS A 16 -5.391 0.646 -0.889 1.00 0.00 C ATOM 296 O LYS A 16 -6.355 1.014 -1.562 1.00 0.00 O ATOM 297 CB LYS A 16 -5.045 -1.817 -0.257 1.00 0.00 C ATOM 298 CG LYS A 16 -6.562 -2.070 -0.204 1.00 0.00 C ATOM 299 CD LYS A 16 -6.875 -3.502 0.257 1.00 0.00 C ATOM 300 CE LYS A 16 -8.385 -3.728 0.420 1.00 0.00 C ATOM 301 NZ LYS A 16 -8.861 -3.380 1.785 1.00 0.00 N ATOM 0 H LYS A 16 -2.723 -1.057 -0.540 1.00 0.00 H new ATOM 0 HA LYS A 16 -5.032 -0.950 -2.211 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -4.537 -2.729 -0.571 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -4.683 -1.579 0.743 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -7.028 -1.357 0.476 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -6.996 -1.900 -1.190 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -6.477 -4.213 -0.467 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -6.373 -3.697 1.205 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -8.922 -3.127 -0.314 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -8.619 -4.772 0.211 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -9.885 -3.548 1.849 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -8.369 -3.971 2.485 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -8.662 -2.377 1.977 1.00 0.00 H new ATOM 315 N LEU A 17 -4.889 1.394 0.096 1.00 0.00 N ATOM 316 CA LEU A 17 -5.394 2.716 0.472 1.00 0.00 C ATOM 317 C LEU A 17 -5.270 3.751 -0.656 1.00 0.00 C ATOM 318 O LEU A 17 -6.130 4.619 -0.749 1.00 0.00 O ATOM 319 CB LEU A 17 -4.720 3.195 1.768 1.00 0.00 C ATOM 320 CG LEU A 17 -5.300 4.536 2.270 1.00 0.00 C ATOM 321 CD1 LEU A 17 -5.687 4.463 3.741 1.00 0.00 C ATOM 322 CD2 LEU A 17 -4.306 5.683 2.080 1.00 0.00 C ATOM 0 H LEU A 17 -4.101 1.090 0.668 1.00 0.00 H new ATOM 0 HA LEU A 17 -6.464 2.614 0.655 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -4.843 2.436 2.541 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -3.649 3.306 1.598 1.00 0.00 H new ATOM 0 HG LEU A 17 -6.191 4.728 1.673 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -6.091 5.424 4.059 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -6.441 3.688 3.881 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -4.806 4.224 4.337 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -4.747 6.611 2.444 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -3.395 5.471 2.639 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -4.067 5.786 1.022 1.00 0.00 H new ATOM 334 N PHE A 18 -4.276 3.655 -1.545 1.00 0.00 N ATOM 335 CA PHE A 18 -4.166 4.548 -2.705 1.00 0.00 C ATOM 336 C PHE A 18 -5.467 4.572 -3.525 1.00 0.00 C ATOM 337 O PHE A 18 -5.900 5.647 -3.918 1.00 0.00 O ATOM 338 CB PHE A 18 -2.941 4.204 -3.567 1.00 0.00 C ATOM 339 CG PHE A 18 -2.824 4.974 -4.876 1.00 0.00 C ATOM 340 CD1 PHE A 18 -3.043 6.367 -4.932 1.00 0.00 C ATOM 341 CD2 PHE A 18 -2.497 4.282 -6.058 1.00 0.00 C ATOM 342 CE1 PHE A 18 -2.917 7.058 -6.150 1.00 0.00 C ATOM 343 CE2 PHE A 18 -2.380 4.971 -7.279 1.00 0.00 C ATOM 344 CZ PHE A 18 -2.587 6.361 -7.325 1.00 0.00 C ATOM 0 H PHE A 18 -3.530 2.962 -1.483 1.00 0.00 H new ATOM 0 HA PHE A 18 -4.013 5.559 -2.329 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -2.042 4.384 -2.978 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -2.965 3.138 -3.793 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -3.309 6.905 -4.034 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -2.335 3.215 -6.027 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -3.074 8.126 -6.183 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -2.131 4.432 -8.181 1.00 0.00 H new ATOM 0 HZ PHE A 18 -2.493 6.892 -8.261 1.00 0.00 H new ATOM 354 N ILE A 19 -6.151 3.434 -3.705 1.00 0.00 N ATOM 355 CA ILE A 19 -7.459 3.369 -4.382 1.00 0.00 C ATOM 356 C ILE A 19 -8.591 3.968 -3.512 1.00 0.00 C ATOM 357 O ILE A 19 -9.541 4.560 -4.028 1.00 0.00 O ATOM 358 CB ILE A 19 -7.793 1.913 -4.791 1.00 0.00 C ATOM 359 CG1 ILE A 19 -6.795 1.288 -5.799 1.00 0.00 C ATOM 360 CG2 ILE A 19 -9.202 1.858 -5.413 1.00 0.00 C ATOM 361 CD1 ILE A 19 -5.482 0.771 -5.199 1.00 0.00 C ATOM 0 H ILE A 19 -5.813 2.527 -3.384 1.00 0.00 H new ATOM 0 HA ILE A 19 -7.388 3.976 -5.285 1.00 0.00 H new ATOM 0 HB ILE A 19 -7.729 1.330 -3.872 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -7.291 0.462 -6.308 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -6.558 2.034 -6.558 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -9.433 0.832 -5.700 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -9.935 2.206 -4.685 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -9.236 2.497 -6.295 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -4.859 0.355 -5.991 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -4.954 1.593 -4.716 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -5.698 -0.003 -4.463 1.00 0.00 H new ATOM 373 N MET A 20 -8.501 3.853 -2.185 1.00 0.00 N ATOM 374 CA MET A 20 -9.485 4.397 -1.236 1.00 0.00 C ATOM 375 C MET A 20 -9.458 5.937 -1.189 1.00 0.00 C ATOM 376 O MET A 20 -10.511 6.571 -1.283 1.00 0.00 O ATOM 377 CB MET A 20 -9.250 3.814 0.168 1.00 0.00 C ATOM 378 CG MET A 20 -9.421 2.288 0.225 1.00 0.00 C ATOM 379 SD MET A 20 -11.138 1.705 0.298 1.00 0.00 S ATOM 380 CE MET A 20 -11.506 2.086 2.035 1.00 0.00 C ATOM 0 H MET A 20 -7.728 3.370 -1.727 1.00 0.00 H new ATOM 0 HA MET A 20 -10.474 4.102 -1.587 1.00 0.00 H new ATOM 0 HB2 MET A 20 -8.244 4.073 0.499 1.00 0.00 H new ATOM 0 HB3 MET A 20 -9.945 4.278 0.868 1.00 0.00 H new ATOM 0 HG2 MET A 20 -8.943 1.852 -0.652 1.00 0.00 H new ATOM 0 HG3 MET A 20 -8.889 1.911 1.098 1.00 0.00 H new ATOM 0 HE1 MET A 20 -12.141 1.305 2.452 1.00 0.00 H new ATOM 0 HE2 MET A 20 -10.576 2.138 2.601 1.00 0.00 H new ATOM 0 HE3 MET A 20 -12.022 3.044 2.096 1.00 0.00 H new ATOM 390 N ILE A 21 -8.272 6.548 -1.058 1.00 0.00 N ATOM 391 CA ILE A 21 -8.090 8.012 -1.002 1.00 0.00 C ATOM 392 C ILE A 21 -8.492 8.708 -2.315 1.00 0.00 C ATOM 393 O ILE A 21 -9.143 9.755 -2.279 1.00 0.00 O ATOM 394 CB ILE A 21 -6.658 8.385 -0.538 1.00 0.00 C ATOM 395 CG1 ILE A 21 -6.529 9.907 -0.310 1.00 0.00 C ATOM 396 CG2 ILE A 21 -5.561 7.891 -1.494 1.00 0.00 C ATOM 397 CD1 ILE A 21 -5.219 10.325 0.372 1.00 0.00 C ATOM 0 H ILE A 21 -7.395 6.033 -0.986 1.00 0.00 H new ATOM 0 HA ILE A 21 -8.778 8.394 -0.247 1.00 0.00 H new ATOM 0 HB ILE A 21 -6.504 7.867 0.409 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -6.606 10.416 -1.271 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -7.368 10.246 0.298 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -4.584 8.185 -1.110 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -5.608 6.805 -1.572 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -5.712 8.332 -2.479 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -5.203 11.408 0.497 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -5.148 9.846 1.348 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -4.374 10.019 -0.245 1.00 0.00 H new ATOM 409 N VAL A 22 -8.157 8.126 -3.474 1.00 0.00 N ATOM 410 CA VAL A 22 -8.548 8.651 -4.799 1.00 0.00 C ATOM 411 C VAL A 22 -10.038 8.482 -5.108 1.00 0.00 C ATOM 412 O VAL A 22 -10.609 9.328 -5.793 1.00 0.00 O ATOM 413 CB VAL A 22 -7.741 8.003 -5.941 1.00 0.00 C ATOM 414 CG1 VAL A 22 -6.253 8.313 -5.834 1.00 0.00 C ATOM 415 CG2 VAL A 22 -7.961 6.500 -6.065 1.00 0.00 C ATOM 0 H VAL A 22 -7.603 7.271 -3.524 1.00 0.00 H new ATOM 0 HA VAL A 22 -8.326 9.717 -4.743 1.00 0.00 H new ATOM 0 HB VAL A 22 -8.127 8.456 -6.854 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -5.722 7.837 -6.658 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -6.102 9.392 -5.880 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -5.869 7.933 -4.887 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -7.362 6.111 -6.889 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -7.663 6.011 -5.137 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -9.015 6.301 -6.258 1.00 0.00 H new ATOM 425 N GLY A 23 -10.659 7.390 -4.649 1.00 0.00 N ATOM 426 CA GLY A 23 -11.980 6.902 -5.058 1.00 0.00 C ATOM 427 C GLY A 23 -12.180 6.911 -6.577 1.00 0.00 C ATOM 428 O GLY A 23 -11.762 5.986 -7.275 1.00 0.00 O ATOM 0 H GLY A 23 -10.230 6.791 -3.944 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -12.117 5.887 -4.685 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -12.749 7.519 -4.593 1.00 0.00 H new ATOM 432 N GLY A 24 -12.782 7.980 -7.102 1.00 0.00 N ATOM 433 CA GLY A 24 -13.030 8.176 -8.535 1.00 0.00 C ATOM 434 C GLY A 24 -11.774 8.435 -9.384 1.00 0.00 C ATOM 435 O GLY A 24 -11.775 8.108 -10.572 1.00 0.00 O ATOM 0 H GLY A 24 -13.120 8.754 -6.530 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -13.537 7.293 -8.924 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -13.713 9.017 -8.658 1.00 0.00 H new ATOM 439 N LEU A 25 -10.689 8.979 -8.807 1.00 0.00 N ATOM 440 CA LEU A 25 -9.448 9.273 -9.554 1.00 0.00 C ATOM 441 C LEU A 25 -8.558 8.032 -9.786 1.00 0.00 C ATOM 442 O LEU A 25 -7.493 8.155 -10.386 1.00 0.00 O ATOM 443 CB LEU A 25 -8.618 10.424 -8.932 1.00 0.00 C ATOM 444 CG LEU A 25 -9.362 11.569 -8.226 1.00 0.00 C ATOM 445 CD1 LEU A 25 -8.342 12.563 -7.669 1.00 0.00 C ATOM 446 CD2 LEU A 25 -10.312 12.319 -9.162 1.00 0.00 C ATOM 0 H LEU A 25 -10.644 9.227 -7.819 1.00 0.00 H new ATOM 0 HA LEU A 25 -9.799 9.608 -10.530 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -7.929 9.983 -8.212 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -8.013 10.862 -9.726 1.00 0.00 H new ATOM 0 HG LEU A 25 -9.959 11.124 -7.430 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -8.864 13.377 -7.167 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -7.691 12.056 -6.957 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -7.742 12.965 -8.486 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -10.811 13.117 -8.611 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -9.745 12.748 -9.988 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -11.058 11.627 -9.554 1.00 0.00 H new ATOM 458 N VAL A 26 -8.974 6.835 -9.341 1.00 0.00 N ATOM 459 CA VAL A 26 -8.226 5.559 -9.453 1.00 0.00 C ATOM 460 C VAL A 26 -7.704 5.255 -10.864 1.00 0.00 C ATOM 461 O VAL A 26 -6.656 4.629 -11.032 1.00 0.00 O ATOM 462 CB VAL A 26 -9.091 4.391 -8.928 1.00 0.00 C ATOM 463 CG1 VAL A 26 -10.339 4.103 -9.774 1.00 0.00 C ATOM 464 CG2 VAL A 26 -8.282 3.101 -8.788 1.00 0.00 C ATOM 0 H VAL A 26 -9.874 6.718 -8.875 1.00 0.00 H new ATOM 0 HA VAL A 26 -7.336 5.674 -8.834 1.00 0.00 H new ATOM 0 HB VAL A 26 -9.429 4.729 -7.948 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -10.890 3.270 -9.338 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -10.976 4.987 -9.796 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -10.039 3.847 -10.790 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -8.928 2.305 -8.416 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -7.879 2.817 -9.760 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -7.462 3.260 -8.088 1.00 0.00 H new ATOM 474 N LYS A 27 -8.425 5.729 -11.884 1.00 0.00 N ATOM 475 CA LYS A 27 -8.140 5.527 -13.308 1.00 0.00 C ATOM 476 C LYS A 27 -6.833 6.181 -13.808 1.00 0.00 C ATOM 477 O LYS A 27 -6.367 5.820 -14.892 1.00 0.00 O ATOM 478 CB LYS A 27 -9.358 6.028 -14.108 1.00 0.00 C ATOM 479 CG LYS A 27 -9.575 5.215 -15.391 1.00 0.00 C ATOM 480 CD LYS A 27 -10.631 5.874 -16.283 1.00 0.00 C ATOM 481 CE LYS A 27 -10.862 5.010 -17.528 1.00 0.00 C ATOM 482 NZ LYS A 27 -11.633 5.744 -18.566 1.00 0.00 N ATOM 0 H LYS A 27 -9.263 6.291 -11.732 1.00 0.00 H new ATOM 0 HA LYS A 27 -7.973 4.461 -13.462 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -10.251 5.968 -13.485 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -9.217 7.078 -14.363 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -8.635 5.130 -15.936 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -9.889 4.203 -15.136 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -11.564 5.993 -15.732 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -10.304 6.872 -16.576 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -9.902 4.698 -17.939 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -11.398 4.103 -17.248 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -11.771 5.131 -19.394 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -12.559 6.020 -18.181 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -11.109 6.596 -18.850 1.00 0.00 H new ATOM 496 N LYS A 28 -6.229 7.113 -13.051 1.00 0.00 N ATOM 497 CA LYS A 28 -5.002 7.858 -13.418 1.00 0.00 C ATOM 498 C LYS A 28 -3.909 7.830 -12.337 1.00 0.00 C ATOM 499 O LYS A 28 -2.718 7.780 -12.719 1.00 0.00 O ATOM 500 CB LYS A 28 -5.366 9.272 -13.928 1.00 0.00 C ATOM 501 CG LYS A 28 -5.890 10.256 -12.868 1.00 0.00 C ATOM 502 CD LYS A 28 -4.768 11.002 -12.124 1.00 0.00 C ATOM 503 CE LYS A 28 -5.123 11.156 -10.642 1.00 0.00 C ATOM 504 NZ LYS A 28 -4.003 11.758 -9.873 1.00 0.00 N ATOM 505 OXT LYS A 28 -4.229 7.846 -11.127 1.00 0.00 O ATOM 0 H LYS A 28 -6.590 7.381 -12.135 1.00 0.00 H new ATOM 0 HA LYS A 28 -4.531 7.332 -14.248 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -4.482 9.707 -14.394 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -6.121 9.172 -14.708 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -6.544 10.983 -13.349 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -6.497 9.711 -12.145 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -3.830 10.456 -12.225 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -4.616 11.984 -12.572 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -6.011 11.780 -10.543 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -5.371 10.181 -10.223 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -4.277 11.848 -8.874 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -3.163 11.149 -9.948 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -3.784 12.699 -10.258 1.00 0.00 H new TER 519 LYS A 28