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+ -165:sc=-0.00901 (180deg=-0.152) 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 -75:sc= 0.721 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 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 -11.397 8.734 -10.633 1.00 0.00 N ATOM 2 CA LYS A 1 -12.577 7.912 -10.238 1.00 0.00 C ATOM 3 C LYS A 1 -12.676 6.636 -11.085 1.00 0.00 C ATOM 4 O LYS A 1 -12.209 5.588 -10.638 1.00 0.00 O ATOM 5 CB LYS A 1 -13.882 8.744 -10.211 1.00 0.00 C ATOM 6 CG LYS A 1 -13.979 9.590 -8.928 1.00 0.00 C ATOM 7 CD LYS A 1 -15.115 10.619 -9.017 1.00 0.00 C ATOM 8 CE LYS A 1 -15.348 11.275 -7.649 1.00 0.00 C ATOM 9 NZ LYS A 1 -16.685 11.919 -7.576 1.00 0.00 N ATOM 0 H1 LYS A 1 -11.357 9.590 -10.043 1.00 0.00 H new ATOM 0 H2 LYS A 1 -10.527 8.180 -10.499 1.00 0.00 H new ATOM 0 H3 LYS A 1 -11.483 9.007 -11.633 1.00 0.00 H new ATOM 0 HA LYS A 1 -12.427 7.581 -9.210 1.00 0.00 H new ATOM 0 HB2 LYS A 1 -13.918 9.397 -11.083 1.00 0.00 H new ATOM 0 HB3 LYS A 1 -14.742 8.078 -10.276 1.00 0.00 H new ATOM 0 HG2 LYS A 1 -14.145 8.936 -8.072 1.00 0.00 H new ATOM 0 HG3 LYS A 1 -13.033 10.104 -8.758 1.00 0.00 H new ATOM 0 HD2 LYS A 1 -14.867 11.381 -9.756 1.00 0.00 H new ATOM 0 HD3 LYS A 1 -16.030 10.132 -9.355 1.00 0.00 H new ATOM 0 HE2 LYS A 1 -15.261 10.524 -6.864 1.00 0.00 H new ATOM 0 HE3 LYS A 1 -14.574 12.019 -7.464 1.00 0.00 H new ATOM 0 HZ1 LYS A 1 -16.811 12.353 -6.639 1.00 0.00 H new ATOM 0 HZ2 LYS A 1 -16.758 12.653 -8.310 1.00 0.00 H new ATOM 0 HZ3 LYS A 1 -17.424 11.203 -7.728 1.00 0.00 H new ATOM 25 N LYS A 2 -13.242 6.685 -12.302 1.00 0.00 N ATOM 26 CA LYS A 2 -13.366 5.523 -13.210 1.00 0.00 C ATOM 27 C LYS A 2 -12.084 5.308 -14.035 1.00 0.00 C ATOM 28 O LYS A 2 -11.936 5.886 -15.115 1.00 0.00 O ATOM 29 CB LYS A 2 -14.594 5.663 -14.134 1.00 0.00 C ATOM 30 CG LYS A 2 -15.944 5.878 -13.420 1.00 0.00 C ATOM 31 CD LYS A 2 -16.472 7.322 -13.557 1.00 0.00 C ATOM 32 CE LYS A 2 -18.004 7.410 -13.501 1.00 0.00 C ATOM 33 NZ LYS A 2 -18.641 6.805 -14.705 1.00 0.00 N ATOM 0 H LYS A 2 -13.633 7.543 -12.692 1.00 0.00 H new ATOM 0 HA LYS A 2 -13.511 4.641 -12.586 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -14.424 6.501 -14.810 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -14.667 4.766 -14.749 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -16.680 5.187 -13.830 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -15.833 5.636 -12.363 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -16.049 7.934 -12.760 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -16.124 7.742 -14.501 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -18.364 6.902 -12.606 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -18.305 8.454 -13.418 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -19.636 7.102 -14.758 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -18.139 7.122 -15.559 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -18.592 5.768 -14.639 1.00 0.00 H new ATOM 47 N LYS A 3 -11.150 4.494 -13.529 1.00 0.00 N ATOM 48 CA LYS A 3 -9.900 4.100 -14.218 1.00 0.00 C ATOM 49 C LYS A 3 -9.767 2.577 -14.362 1.00 0.00 C ATOM 50 O LYS A 3 -10.536 1.819 -13.766 1.00 0.00 O ATOM 51 CB LYS A 3 -8.676 4.720 -13.514 1.00 0.00 C ATOM 52 CG LYS A 3 -8.736 6.255 -13.455 1.00 0.00 C ATOM 53 CD LYS A 3 -7.336 6.882 -13.376 1.00 0.00 C ATOM 54 CE LYS A 3 -7.449 8.413 -13.381 1.00 0.00 C ATOM 55 NZ LYS A 3 -6.194 9.059 -13.849 1.00 0.00 N ATOM 0 H LYS A 3 -11.239 4.076 -12.603 1.00 0.00 H new ATOM 0 HA LYS A 3 -9.944 4.497 -15.232 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -8.607 4.325 -12.501 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -7.769 4.416 -14.037 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -9.253 6.632 -14.337 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -9.320 6.562 -12.588 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -6.829 6.549 -12.470 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -6.731 6.550 -14.220 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -8.275 8.714 -14.026 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -7.685 8.763 -12.376 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -6.310 10.092 -13.838 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -5.410 8.792 -13.219 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -5.982 8.745 -14.818 1.00 0.00 H new ATOM 69 N ASN A 4 -8.800 2.130 -15.165 1.00 0.00 N ATOM 70 CA ASN A 4 -8.489 0.710 -15.364 1.00 0.00 C ATOM 71 C ASN A 4 -7.895 0.079 -14.087 1.00 0.00 C ATOM 72 O ASN A 4 -7.361 0.776 -13.221 1.00 0.00 O ATOM 73 CB ASN A 4 -7.515 0.573 -16.553 1.00 0.00 C ATOM 74 CG ASN A 4 -8.082 1.119 -17.855 1.00 0.00 C ATOM 75 OD1 ASN A 4 -7.748 2.210 -18.300 1.00 0.00 O ATOM 76 ND2 ASN A 4 -8.962 0.393 -18.509 1.00 0.00 N ATOM 0 H ASN A 4 -8.200 2.753 -15.705 1.00 0.00 H new ATOM 0 HA ASN A 4 -9.410 0.171 -15.585 1.00 0.00 H new ATOM 0 HB2 ASN A 4 -6.589 1.098 -16.319 1.00 0.00 H new ATOM 0 HB3 ASN A 4 -7.260 -0.478 -16.687 1.00 0.00 H new ATOM 0 HD21 ASN A 4 -9.362 0.739 -19.381 1.00 0.00 H new ATOM 0 HD22 ASN A 4 -9.245 -0.517 -18.144 1.00 0.00 H new ATOM 83 N TRP A 5 -7.908 -1.256 -13.995 1.00 0.00 N ATOM 84 CA TRP A 5 -7.344 -2.007 -12.859 1.00 0.00 C ATOM 85 C TRP A 5 -5.858 -1.691 -12.598 1.00 0.00 C ATOM 86 O TRP A 5 -5.402 -1.729 -11.454 1.00 0.00 O ATOM 87 CB TRP A 5 -7.540 -3.512 -13.099 1.00 0.00 C ATOM 88 CG TRP A 5 -6.645 -4.113 -14.144 1.00 0.00 C ATOM 89 CD1 TRP A 5 -6.922 -4.227 -15.463 1.00 0.00 C ATOM 90 CD2 TRP A 5 -5.295 -4.648 -13.970 1.00 0.00 C ATOM 91 NE1 TRP A 5 -5.836 -4.785 -16.116 1.00 0.00 N ATOM 92 CE2 TRP A 5 -4.804 -5.059 -15.244 1.00 0.00 C ATOM 93 CE3 TRP A 5 -4.430 -4.808 -12.866 1.00 0.00 C ATOM 94 CZ2 TRP A 5 -3.521 -5.604 -15.414 1.00 0.00 C ATOM 95 CZ3 TRP A 5 -3.140 -5.347 -13.023 1.00 0.00 C ATOM 96 CH2 TRP A 5 -2.684 -5.746 -14.293 1.00 0.00 C ATOM 0 H TRP A 5 -8.314 -1.855 -14.714 1.00 0.00 H new ATOM 0 HA TRP A 5 -7.881 -1.694 -11.963 1.00 0.00 H new ATOM 0 HB2 TRP A 5 -7.378 -4.038 -12.158 1.00 0.00 H new ATOM 0 HB3 TRP A 5 -8.577 -3.686 -13.387 1.00 0.00 H new ATOM 0 HD1 TRP A 5 -7.847 -3.929 -15.934 1.00 0.00 H new ATOM 0 HE1 TRP A 5 -5.804 -4.970 -17.118 1.00 0.00 H new ATOM 0 HE3 TRP A 5 -4.765 -4.511 -11.883 1.00 0.00 H new ATOM 0 HZ2 TRP A 5 -3.182 -5.910 -16.393 1.00 0.00 H new ATOM 0 HZ3 TRP A 5 -2.495 -5.455 -12.163 1.00 0.00 H new ATOM 0 HH2 TRP A 5 -1.693 -6.160 -14.407 1.00 0.00 H new ATOM 107 N PHE A 6 -5.116 -1.327 -13.649 1.00 0.00 N ATOM 108 CA PHE A 6 -3.705 -0.930 -13.607 1.00 0.00 C ATOM 109 C PHE A 6 -3.459 0.343 -12.769 1.00 0.00 C ATOM 110 O PHE A 6 -2.386 0.522 -12.192 1.00 0.00 O ATOM 111 CB PHE A 6 -3.212 -0.747 -15.052 1.00 0.00 C ATOM 112 CG PHE A 6 -1.742 -1.066 -15.236 1.00 0.00 C ATOM 113 CD1 PHE A 6 -1.347 -2.401 -15.443 1.00 0.00 C ATOM 114 CD2 PHE A 6 -0.769 -0.048 -15.200 1.00 0.00 C ATOM 115 CE1 PHE A 6 0.011 -2.722 -15.614 1.00 0.00 C ATOM 116 CE2 PHE A 6 0.590 -0.369 -15.371 1.00 0.00 C ATOM 117 CZ PHE A 6 0.980 -1.705 -15.577 1.00 0.00 C ATOM 0 H PHE A 6 -5.500 -1.300 -14.594 1.00 0.00 H new ATOM 0 HA PHE A 6 -3.140 -1.718 -13.109 1.00 0.00 H new ATOM 0 HB2 PHE A 6 -3.799 -1.386 -15.711 1.00 0.00 H new ATOM 0 HB3 PHE A 6 -3.393 0.282 -15.361 1.00 0.00 H new ATOM 0 HD1 PHE A 6 -2.091 -3.183 -15.471 1.00 0.00 H new ATOM 0 HD2 PHE A 6 -1.066 0.978 -15.041 1.00 0.00 H new ATOM 0 HE1 PHE A 6 0.309 -3.748 -15.773 1.00 0.00 H new ATOM 0 HE2 PHE A 6 1.336 0.412 -15.344 1.00 0.00 H new ATOM 0 HZ PHE A 6 2.024 -1.949 -15.707 1.00 0.00 H new ATOM 127 N ASP A 7 -4.458 1.228 -12.677 1.00 0.00 N ATOM 128 CA ASP A 7 -4.433 2.433 -11.842 1.00 0.00 C ATOM 129 C ASP A 7 -4.858 2.115 -10.398 1.00 0.00 C ATOM 130 O ASP A 7 -4.251 2.611 -9.450 1.00 0.00 O ATOM 131 CB ASP A 7 -5.360 3.500 -12.439 1.00 0.00 C ATOM 132 CG ASP A 7 -4.888 3.967 -13.826 1.00 0.00 C ATOM 133 OD1 ASP A 7 -4.042 4.890 -13.892 1.00 0.00 O ATOM 134 OD2 ASP A 7 -5.376 3.432 -14.850 1.00 0.00 O ATOM 0 H ASP A 7 -5.330 1.122 -13.196 1.00 0.00 H new ATOM 0 HA ASP A 7 -3.411 2.812 -11.819 1.00 0.00 H new ATOM 0 HB2 ASP A 7 -6.371 3.099 -12.517 1.00 0.00 H new ATOM 0 HB3 ASP A 7 -5.408 4.356 -11.766 1.00 0.00 H new ATOM 139 N ILE A 8 -5.869 1.254 -10.214 1.00 0.00 N ATOM 140 CA ILE A 8 -6.348 0.808 -8.892 1.00 0.00 C ATOM 141 C ILE A 8 -5.235 0.076 -8.127 1.00 0.00 C ATOM 142 O ILE A 8 -4.954 0.399 -6.972 1.00 0.00 O ATOM 143 CB ILE A 8 -7.611 -0.076 -9.020 1.00 0.00 C ATOM 144 CG1 ILE A 8 -8.736 0.563 -9.869 1.00 0.00 C ATOM 145 CG2 ILE A 8 -8.156 -0.455 -7.630 1.00 0.00 C ATOM 146 CD1 ILE A 8 -9.231 1.938 -9.400 1.00 0.00 C ATOM 0 H ILE A 8 -6.387 0.840 -10.989 1.00 0.00 H new ATOM 0 HA ILE A 8 -6.625 1.694 -8.321 1.00 0.00 H new ATOM 0 HB ILE A 8 -7.290 -0.973 -9.550 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -8.381 0.657 -10.895 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -9.585 -0.121 -9.886 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -9.044 -1.077 -7.744 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -7.395 -1.008 -7.079 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -8.415 0.451 -7.082 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -10.018 2.289 -10.068 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -9.625 1.857 -8.387 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -8.403 2.646 -9.412 1.00 0.00 H new ATOM 158 N THR A 9 -4.561 -0.875 -8.782 1.00 0.00 N ATOM 159 CA THR A 9 -3.408 -1.601 -8.217 1.00 0.00 C ATOM 160 C THR A 9 -2.253 -0.684 -7.817 1.00 0.00 C ATOM 161 O THR A 9 -1.591 -0.973 -6.824 1.00 0.00 O ATOM 162 CB THR A 9 -2.865 -2.693 -9.154 1.00 0.00 C ATOM 163 OG1 THR A 9 -2.729 -2.229 -10.478 1.00 0.00 O ATOM 164 CG2 THR A 9 -3.770 -3.921 -9.177 1.00 0.00 C ATOM 0 H THR A 9 -4.799 -1.169 -9.729 1.00 0.00 H new ATOM 0 HA THR A 9 -3.810 -2.071 -7.319 1.00 0.00 H new ATOM 0 HB THR A 9 -1.887 -2.963 -8.757 1.00 0.00 H new ATOM 0 HG1 THR A 9 -3.613 -2.168 -10.896 1.00 0.00 H new ATOM 0 HG21 THR A 9 -3.351 -4.669 -9.850 1.00 0.00 H new ATOM 0 HG22 THR A 9 -3.843 -4.338 -8.173 1.00 0.00 H new ATOM 0 HG23 THR A 9 -4.763 -3.635 -9.524 1.00 0.00 H new ATOM 172 N ASN A 10 -2.033 0.442 -8.508 1.00 0.00 N ATOM 173 CA ASN A 10 -1.000 1.418 -8.146 1.00 0.00 C ATOM 174 C ASN A 10 -1.225 2.004 -6.737 1.00 0.00 C ATOM 175 O ASN A 10 -0.288 2.084 -5.941 1.00 0.00 O ATOM 176 CB ASN A 10 -0.924 2.509 -9.228 1.00 0.00 C ATOM 177 CG ASN A 10 0.384 3.277 -9.157 1.00 0.00 C ATOM 178 OD1 ASN A 10 0.452 4.406 -8.690 1.00 0.00 O ATOM 179 ND2 ASN A 10 1.465 2.687 -9.616 1.00 0.00 N ATOM 0 H ASN A 10 -2.569 0.701 -9.336 1.00 0.00 H new ATOM 0 HA ASN A 10 -0.037 0.909 -8.102 1.00 0.00 H new ATOM 0 HB2 ASN A 10 -1.026 2.053 -10.213 1.00 0.00 H new ATOM 0 HB3 ASN A 10 -1.759 3.199 -9.108 1.00 0.00 H new ATOM 0 HD21 ASN A 10 2.363 3.170 -9.583 1.00 0.00 H new ATOM 0 HD22 ASN A 10 1.406 1.746 -10.005 1.00 0.00 H new ATOM 186 N TRP A 11 -2.471 2.374 -6.409 1.00 0.00 N ATOM 187 CA TRP A 11 -2.854 2.846 -5.071 1.00 0.00 C ATOM 188 C TRP A 11 -2.870 1.699 -4.051 1.00 0.00 C ATOM 189 O TRP A 11 -2.372 1.858 -2.936 1.00 0.00 O ATOM 190 CB TRP A 11 -4.224 3.536 -5.121 1.00 0.00 C ATOM 191 CG TRP A 11 -4.235 4.857 -5.830 1.00 0.00 C ATOM 192 CD1 TRP A 11 -4.624 5.060 -7.109 1.00 0.00 C ATOM 193 CD2 TRP A 11 -3.834 6.167 -5.318 1.00 0.00 C ATOM 194 NE1 TRP A 11 -4.482 6.397 -7.430 1.00 0.00 N ATOM 195 CE2 TRP A 11 -3.999 7.126 -6.363 1.00 0.00 C ATOM 196 CE3 TRP A 11 -3.350 6.644 -4.079 1.00 0.00 C ATOM 197 CZ2 TRP A 11 -3.694 8.485 -6.191 1.00 0.00 C ATOM 198 CZ3 TRP A 11 -3.044 8.008 -3.895 1.00 0.00 C ATOM 199 CH2 TRP A 11 -3.214 8.927 -4.946 1.00 0.00 C ATOM 0 H TRP A 11 -3.247 2.354 -7.070 1.00 0.00 H new ATOM 0 HA TRP A 11 -2.105 3.568 -4.746 1.00 0.00 H new ATOM 0 HB2 TRP A 11 -4.933 2.870 -5.612 1.00 0.00 H new ATOM 0 HB3 TRP A 11 -4.579 3.684 -4.101 1.00 0.00 H new ATOM 0 HD1 TRP A 11 -4.990 4.295 -7.777 1.00 0.00 H new ATOM 0 HE1 TRP A 11 -4.706 6.795 -8.342 1.00 0.00 H new ATOM 0 HE3 TRP A 11 -3.212 5.953 -3.260 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 -3.826 9.182 -7.005 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 -2.676 8.350 -2.939 1.00 0.00 H new ATOM 0 HH2 TRP A 11 -2.976 9.970 -4.797 1.00 0.00 H new ATOM 210 N LEU A 12 -3.399 0.529 -4.428 1.00 0.00 N ATOM 211 CA LEU A 12 -3.462 -0.652 -3.558 1.00 0.00 C ATOM 212 C LEU A 12 -2.062 -1.148 -3.136 1.00 0.00 C ATOM 213 O LEU A 12 -1.891 -1.632 -2.019 1.00 0.00 O ATOM 214 CB LEU A 12 -4.329 -1.736 -4.236 1.00 0.00 C ATOM 215 CG LEU A 12 -5.058 -2.670 -3.243 1.00 0.00 C ATOM 216 CD1 LEU A 12 -6.389 -3.137 -3.835 1.00 0.00 C ATOM 217 CD2 LEU A 12 -4.255 -3.925 -2.894 1.00 0.00 C ATOM 0 H LEU A 12 -3.799 0.374 -5.353 1.00 0.00 H new ATOM 0 HA LEU A 12 -3.943 -0.381 -2.618 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -5.069 -1.250 -4.872 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -3.696 -2.338 -4.887 1.00 0.00 H new ATOM 0 HG LEU A 12 -5.201 -2.081 -2.337 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -6.892 -3.794 -3.126 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -7.020 -2.272 -4.039 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -6.205 -3.678 -4.763 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -4.823 -4.537 -2.193 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -4.061 -4.497 -3.801 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -3.308 -3.636 -2.438 1.00 0.00 H new ATOM 229 N TRP A 13 -1.031 -0.942 -3.963 1.00 0.00 N ATOM 230 CA TRP A 13 0.368 -1.266 -3.644 1.00 0.00 C ATOM 231 C TRP A 13 0.887 -0.557 -2.376 1.00 0.00 C ATOM 232 O TRP A 13 1.667 -1.136 -1.615 1.00 0.00 O ATOM 233 CB TRP A 13 1.262 -0.943 -4.856 1.00 0.00 C ATOM 234 CG TRP A 13 2.414 -1.877 -5.060 1.00 0.00 C ATOM 235 CD1 TRP A 13 2.315 -3.109 -5.609 1.00 0.00 C ATOM 236 CD2 TRP A 13 3.832 -1.684 -4.756 1.00 0.00 C ATOM 237 NE1 TRP A 13 3.563 -3.700 -5.653 1.00 0.00 N ATOM 238 CE2 TRP A 13 4.534 -2.868 -5.136 1.00 0.00 C ATOM 239 CE3 TRP A 13 4.599 -0.634 -4.206 1.00 0.00 C ATOM 240 CZ2 TRP A 13 5.919 -3.011 -4.967 1.00 0.00 C ATOM 241 CZ3 TRP A 13 5.993 -0.763 -4.038 1.00 0.00 C ATOM 242 CH2 TRP A 13 6.652 -1.949 -4.410 1.00 0.00 C ATOM 0 H TRP A 13 -1.146 -0.537 -4.892 1.00 0.00 H new ATOM 0 HA TRP A 13 0.409 -2.333 -3.426 1.00 0.00 H new ATOM 0 HB2 TRP A 13 0.645 -0.949 -5.755 1.00 0.00 H new ATOM 0 HB3 TRP A 13 1.650 0.069 -4.742 1.00 0.00 H new ATOM 0 HD1 TRP A 13 1.399 -3.562 -5.960 1.00 0.00 H new ATOM 0 HE1 TRP A 13 3.744 -4.634 -6.021 1.00 0.00 H new ATOM 0 HE3 TRP A 13 4.110 0.282 -3.909 1.00 0.00 H new ATOM 0 HZ2 TRP A 13 6.415 -3.924 -5.261 1.00 0.00 H new ATOM 0 HZ3 TRP A 13 6.560 0.056 -3.620 1.00 0.00 H new ATOM 0 HH2 TRP A 13 7.718 -2.043 -4.268 1.00 0.00 H new ATOM 253 N TYR A 14 0.419 0.667 -2.095 1.00 0.00 N ATOM 254 CA TYR A 14 0.773 1.417 -0.882 1.00 0.00 C ATOM 255 C TYR A 14 0.219 0.780 0.411 1.00 0.00 C ATOM 256 O TYR A 14 0.821 0.918 1.479 1.00 0.00 O ATOM 257 CB TYR A 14 0.311 2.876 -1.018 1.00 0.00 C ATOM 258 CG TYR A 14 0.549 3.708 0.230 1.00 0.00 C ATOM 259 CD1 TYR A 14 1.861 4.058 0.608 1.00 0.00 C ATOM 260 CD2 TYR A 14 -0.538 4.065 1.054 1.00 0.00 C ATOM 261 CE1 TYR A 14 2.086 4.755 1.812 1.00 0.00 C ATOM 262 CE2 TYR A 14 -0.317 4.762 2.256 1.00 0.00 C ATOM 263 CZ TYR A 14 0.998 5.105 2.643 1.00 0.00 C ATOM 264 OH TYR A 14 1.223 5.767 3.810 1.00 0.00 O ATOM 0 H TYR A 14 -0.222 1.169 -2.709 1.00 0.00 H new ATOM 0 HA TYR A 14 1.859 1.385 -0.790 1.00 0.00 H new ATOM 0 HB2 TYR A 14 0.833 3.337 -1.857 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -0.752 2.891 -1.257 1.00 0.00 H new ATOM 0 HD1 TYR A 14 2.694 3.792 -0.025 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -1.544 3.802 0.761 1.00 0.00 H new ATOM 0 HE1 TYR A 14 3.092 5.022 2.100 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -1.153 5.035 2.883 1.00 0.00 H new ATOM 0 HH TYR A 14 0.369 5.933 4.262 1.00 0.00 H new ATOM 274 N ILE A 15 -0.879 0.020 0.330 1.00 0.00 N ATOM 275 CA ILE A 15 -1.456 -0.697 1.480 1.00 0.00 C ATOM 276 C ILE A 15 -0.436 -1.693 2.062 1.00 0.00 C ATOM 277 O ILE A 15 -0.275 -1.771 3.280 1.00 0.00 O ATOM 278 CB ILE A 15 -2.797 -1.371 1.100 1.00 0.00 C ATOM 279 CG1 ILE A 15 -3.800 -0.397 0.431 1.00 0.00 C ATOM 280 CG2 ILE A 15 -3.452 -2.042 2.319 1.00 0.00 C ATOM 281 CD1 ILE A 15 -4.179 0.844 1.252 1.00 0.00 C ATOM 0 H ILE A 15 -1.397 -0.118 -0.538 1.00 0.00 H new ATOM 0 HA ILE A 15 -1.684 0.024 2.265 1.00 0.00 H new ATOM 0 HB ILE A 15 -2.546 -2.134 0.363 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -3.377 -0.066 -0.518 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -4.712 -0.948 0.199 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -4.391 -2.506 2.018 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -2.783 -2.804 2.718 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -3.647 -1.292 3.086 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -4.885 1.453 0.687 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -4.638 0.533 2.190 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -3.283 1.428 1.463 1.00 0.00 H new ATOM 293 N LYS A 16 0.314 -2.404 1.205 1.00 0.00 N ATOM 294 CA LYS A 16 1.402 -3.314 1.609 1.00 0.00 C ATOM 295 C LYS A 16 2.636 -2.569 2.141 1.00 0.00 C ATOM 296 O LYS A 16 3.298 -3.071 3.051 1.00 0.00 O ATOM 297 CB LYS A 16 1.735 -4.250 0.437 1.00 0.00 C ATOM 298 CG LYS A 16 2.756 -5.339 0.810 1.00 0.00 C ATOM 299 CD LYS A 16 2.808 -6.414 -0.287 1.00 0.00 C ATOM 300 CE LYS A 16 3.957 -7.419 -0.119 1.00 0.00 C ATOM 301 NZ LYS A 16 3.827 -8.252 1.106 1.00 0.00 N ATOM 0 H LYS A 16 0.180 -2.363 0.195 1.00 0.00 H new ATOM 0 HA LYS A 16 1.058 -3.915 2.451 1.00 0.00 H new ATOM 0 HB2 LYS A 16 0.818 -4.724 0.086 1.00 0.00 H new ATOM 0 HB3 LYS A 16 2.127 -3.660 -0.392 1.00 0.00 H new ATOM 0 HG2 LYS A 16 3.742 -4.894 0.941 1.00 0.00 H new ATOM 0 HG3 LYS A 16 2.483 -5.793 1.762 1.00 0.00 H new ATOM 0 HD2 LYS A 16 1.862 -6.956 -0.296 1.00 0.00 H new ATOM 0 HD3 LYS A 16 2.904 -5.925 -1.257 1.00 0.00 H new ATOM 0 HE2 LYS A 16 3.993 -8.070 -0.992 1.00 0.00 H new ATOM 0 HE3 LYS A 16 4.903 -6.878 -0.085 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 4.630 -8.910 1.165 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 3.821 -7.637 1.945 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 2.939 -8.792 1.066 1.00 0.00 H new ATOM 315 N LEU A 17 2.931 -1.365 1.640 1.00 0.00 N ATOM 316 CA LEU A 17 4.026 -0.522 2.155 1.00 0.00 C ATOM 317 C LEU A 17 3.826 -0.198 3.639 1.00 0.00 C ATOM 318 O LEU A 17 4.766 -0.331 4.421 1.00 0.00 O ATOM 319 CB LEU A 17 4.179 0.778 1.337 1.00 0.00 C ATOM 320 CG LEU A 17 5.373 0.812 0.371 1.00 0.00 C ATOM 321 CD1 LEU A 17 6.724 0.714 1.083 1.00 0.00 C ATOM 322 CD2 LEU A 17 5.280 -0.282 -0.686 1.00 0.00 C ATOM 0 H LEU A 17 2.419 -0.943 0.865 1.00 0.00 H new ATOM 0 HA LEU A 17 4.947 -1.096 2.049 1.00 0.00 H new ATOM 0 HB2 LEU A 17 3.265 0.936 0.764 1.00 0.00 H new ATOM 0 HB3 LEU A 17 4.270 1.615 2.030 1.00 0.00 H new ATOM 0 HG LEU A 17 5.319 1.786 -0.114 1.00 0.00 H new ATOM 0 HD11 LEU A 17 7.527 0.743 0.346 1.00 0.00 H new ATOM 0 HD12 LEU A 17 6.833 1.551 1.772 1.00 0.00 H new ATOM 0 HD13 LEU A 17 6.776 -0.223 1.638 1.00 0.00 H new ATOM 0 HD21 LEU A 17 6.144 -0.222 -1.348 1.00 0.00 H new ATOM 0 HD22 LEU A 17 5.262 -1.257 -0.200 1.00 0.00 H new ATOM 0 HD23 LEU A 17 4.367 -0.150 -1.267 1.00 0.00 H new ATOM 334 N PHE A 18 2.605 0.167 4.041 1.00 0.00 N ATOM 335 CA PHE A 18 2.265 0.397 5.448 1.00 0.00 C ATOM 336 C PHE A 18 2.595 -0.823 6.324 1.00 0.00 C ATOM 337 O PHE A 18 3.210 -0.669 7.378 1.00 0.00 O ATOM 338 CB PHE A 18 0.791 0.797 5.568 1.00 0.00 C ATOM 339 CG PHE A 18 0.383 1.211 6.970 1.00 0.00 C ATOM 340 CD1 PHE A 18 0.648 2.518 7.422 1.00 0.00 C ATOM 341 CD2 PHE A 18 -0.251 0.291 7.830 1.00 0.00 C ATOM 342 CE1 PHE A 18 0.267 2.911 8.719 1.00 0.00 C ATOM 343 CE2 PHE A 18 -0.635 0.685 9.125 1.00 0.00 C ATOM 344 CZ PHE A 18 -0.383 1.996 9.567 1.00 0.00 C ATOM 0 H PHE A 18 1.825 0.311 3.400 1.00 0.00 H new ATOM 0 HA PHE A 18 2.879 1.218 5.819 1.00 0.00 H new ATOM 0 HB2 PHE A 18 0.590 1.621 4.883 1.00 0.00 H new ATOM 0 HB3 PHE A 18 0.170 -0.040 5.251 1.00 0.00 H new ATOM 0 HD1 PHE A 18 1.145 3.222 6.771 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -0.442 -0.718 7.494 1.00 0.00 H new ATOM 0 HE1 PHE A 18 0.474 3.914 9.063 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -1.124 -0.020 9.780 1.00 0.00 H new ATOM 0 HZ PHE A 18 -0.688 2.300 10.557 1.00 0.00 H new ATOM 354 N ILE A 19 2.265 -2.040 5.869 1.00 0.00 N ATOM 355 CA ILE A 19 2.609 -3.297 6.563 1.00 0.00 C ATOM 356 C ILE A 19 4.130 -3.439 6.734 1.00 0.00 C ATOM 357 O ILE A 19 4.584 -3.790 7.820 1.00 0.00 O ATOM 358 CB ILE A 19 2.007 -4.542 5.861 1.00 0.00 C ATOM 359 CG1 ILE A 19 0.488 -4.387 5.616 1.00 0.00 C ATOM 360 CG2 ILE A 19 2.271 -5.802 6.711 1.00 0.00 C ATOM 361 CD1 ILE A 19 -0.131 -5.514 4.779 1.00 0.00 C ATOM 0 H ILE A 19 1.747 -2.185 5.002 1.00 0.00 H new ATOM 0 HA ILE A 19 2.159 -3.243 7.554 1.00 0.00 H new ATOM 0 HB ILE A 19 2.493 -4.641 4.890 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -0.021 -4.342 6.579 1.00 0.00 H new ATOM 0 HG13 ILE A 19 0.307 -3.436 5.115 1.00 0.00 H new ATOM 0 HG21 ILE A 19 1.846 -6.673 6.212 1.00 0.00 H new ATOM 0 HG22 ILE A 19 3.345 -5.941 6.831 1.00 0.00 H new ATOM 0 HG23 ILE A 19 1.809 -5.683 7.691 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -1.198 -5.330 4.653 1.00 0.00 H new ATOM 0 HD12 ILE A 19 0.349 -5.547 3.801 1.00 0.00 H new ATOM 0 HD13 ILE A 19 0.015 -6.467 5.287 1.00 0.00 H new ATOM 373 N MET A 20 4.936 -3.141 5.706 1.00 0.00 N ATOM 374 CA MET A 20 6.404 -3.189 5.807 1.00 0.00 C ATOM 375 C MET A 20 6.981 -2.123 6.757 1.00 0.00 C ATOM 376 O MET A 20 7.866 -2.436 7.554 1.00 0.00 O ATOM 377 CB MET A 20 7.063 -3.111 4.418 1.00 0.00 C ATOM 378 CG MET A 20 6.717 -4.359 3.592 1.00 0.00 C ATOM 379 SD MET A 20 7.794 -4.730 2.175 1.00 0.00 S ATOM 380 CE MET A 20 7.365 -3.393 1.028 1.00 0.00 C ATOM 0 H MET A 20 4.594 -2.862 4.787 1.00 0.00 H new ATOM 0 HA MET A 20 6.646 -4.156 6.248 1.00 0.00 H new ATOM 0 HB2 MET A 20 6.723 -2.216 3.897 1.00 0.00 H new ATOM 0 HB3 MET A 20 8.144 -3.026 4.525 1.00 0.00 H new ATOM 0 HG2 MET A 20 6.725 -5.221 4.259 1.00 0.00 H new ATOM 0 HG3 MET A 20 5.697 -4.250 3.224 1.00 0.00 H new ATOM 0 HE1 MET A 20 7.951 -3.495 0.114 1.00 0.00 H new ATOM 0 HE2 MET A 20 6.303 -3.447 0.787 1.00 0.00 H new ATOM 0 HE3 MET A 20 7.583 -2.431 1.493 1.00 0.00 H new ATOM 390 N ILE A 21 6.473 -0.883 6.716 1.00 0.00 N ATOM 391 CA ILE A 21 6.910 0.215 7.596 1.00 0.00 C ATOM 392 C ILE A 21 6.553 -0.092 9.061 1.00 0.00 C ATOM 393 O ILE A 21 7.435 -0.136 9.923 1.00 0.00 O ATOM 394 CB ILE A 21 6.286 1.555 7.128 1.00 0.00 C ATOM 395 CG1 ILE A 21 6.782 1.954 5.717 1.00 0.00 C ATOM 396 CG2 ILE A 21 6.613 2.687 8.119 1.00 0.00 C ATOM 397 CD1 ILE A 21 5.914 3.034 5.054 1.00 0.00 C ATOM 0 H ILE A 21 5.738 -0.609 6.064 1.00 0.00 H new ATOM 0 HA ILE A 21 7.994 0.309 7.534 1.00 0.00 H new ATOM 0 HB ILE A 21 5.207 1.406 7.089 1.00 0.00 H new ATOM 0 HG12 ILE A 21 7.808 2.315 5.788 1.00 0.00 H new ATOM 0 HG13 ILE A 21 6.798 1.069 5.081 1.00 0.00 H new ATOM 0 HG21 ILE A 21 6.165 3.617 7.770 1.00 0.00 H new ATOM 0 HG22 ILE A 21 6.212 2.438 9.101 1.00 0.00 H new ATOM 0 HG23 ILE A 21 7.694 2.809 8.188 1.00 0.00 H new ATOM 0 HD11 ILE A 21 6.315 3.269 4.068 1.00 0.00 H new ATOM 0 HD12 ILE A 21 4.892 2.668 4.952 1.00 0.00 H new ATOM 0 HD13 ILE A 21 5.918 3.933 5.670 1.00 0.00 H new ATOM 409 N VAL A 22 5.282 -0.382 9.355 1.00 0.00 N ATOM 410 CA VAL A 22 4.821 -0.715 10.715 1.00 0.00 C ATOM 411 C VAL A 22 5.399 -2.044 11.191 1.00 0.00 C ATOM 412 O VAL A 22 5.704 -2.173 12.371 1.00 0.00 O ATOM 413 CB VAL A 22 3.285 -0.710 10.818 1.00 0.00 C ATOM 414 CG1 VAL A 22 2.788 -1.011 12.239 1.00 0.00 C ATOM 415 CG2 VAL A 22 2.750 0.681 10.445 1.00 0.00 C ATOM 0 H VAL A 22 4.538 -0.394 8.657 1.00 0.00 H new ATOM 0 HA VAL A 22 5.194 0.067 11.377 1.00 0.00 H new ATOM 0 HB VAL A 22 2.927 -1.486 10.141 1.00 0.00 H new ATOM 0 HG11 VAL A 22 1.698 -0.995 12.254 1.00 0.00 H new ATOM 0 HG12 VAL A 22 3.141 -1.995 12.547 1.00 0.00 H new ATOM 0 HG13 VAL A 22 3.172 -0.257 12.926 1.00 0.00 H new ATOM 0 HG21 VAL A 22 1.662 0.684 10.518 1.00 0.00 H new ATOM 0 HG22 VAL A 22 3.162 1.424 11.128 1.00 0.00 H new ATOM 0 HG23 VAL A 22 3.046 0.923 9.424 1.00 0.00 H new ATOM 425 N GLY A 23 5.660 -3.000 10.298 1.00 0.00 N ATOM 426 CA GLY A 23 6.274 -4.286 10.635 1.00 0.00 C ATOM 427 C GLY A 23 7.628 -4.167 11.359 1.00 0.00 C ATOM 428 O GLY A 23 8.003 -5.069 12.112 1.00 0.00 O ATOM 0 H GLY A 23 5.448 -2.901 9.305 1.00 0.00 H new ATOM 0 HA2 GLY A 23 5.586 -4.851 11.264 1.00 0.00 H new ATOM 0 HA3 GLY A 23 6.413 -4.861 9.719 1.00 0.00 H new ATOM 432 N GLY A 24 8.343 -3.049 11.163 1.00 0.00 N ATOM 433 CA GLY A 24 9.599 -2.709 11.842 1.00 0.00 C ATOM 434 C GLY A 24 9.466 -1.578 12.876 1.00 0.00 C ATOM 435 O GLY A 24 10.246 -1.539 13.827 1.00 0.00 O ATOM 0 H GLY A 24 8.049 -2.330 10.501 1.00 0.00 H new ATOM 0 HA2 GLY A 24 9.983 -3.599 12.340 1.00 0.00 H new ATOM 0 HA3 GLY A 24 10.337 -2.419 11.094 1.00 0.00 H new ATOM 439 N LEU A 25 8.483 -0.675 12.736 1.00 0.00 N ATOM 440 CA LEU A 25 8.236 0.426 13.683 1.00 0.00 C ATOM 441 C LEU A 25 7.312 0.066 14.864 1.00 0.00 C ATOM 442 O LEU A 25 7.353 0.748 15.886 1.00 0.00 O ATOM 443 CB LEU A 25 7.683 1.659 12.941 1.00 0.00 C ATOM 444 CG LEU A 25 8.648 2.335 11.947 1.00 0.00 C ATOM 445 CD1 LEU A 25 7.987 3.603 11.402 1.00 0.00 C ATOM 446 CD2 LEU A 25 9.980 2.749 12.583 1.00 0.00 C ATOM 0 H LEU A 25 7.829 -0.688 11.953 1.00 0.00 H new ATOM 0 HA LEU A 25 9.208 0.649 14.124 1.00 0.00 H new ATOM 0 HB2 LEU A 25 6.785 1.361 12.400 1.00 0.00 H new ATOM 0 HB3 LEU A 25 7.378 2.398 13.682 1.00 0.00 H new ATOM 0 HG LEU A 25 8.858 1.603 11.167 1.00 0.00 H new ATOM 0 HD11 LEU A 25 8.661 4.090 10.697 1.00 0.00 H new ATOM 0 HD12 LEU A 25 7.059 3.340 10.894 1.00 0.00 H new ATOM 0 HD13 LEU A 25 7.770 4.283 12.226 1.00 0.00 H new ATOM 0 HD21 LEU A 25 10.613 3.218 11.830 1.00 0.00 H new ATOM 0 HD22 LEU A 25 9.793 3.456 13.391 1.00 0.00 H new ATOM 0 HD23 LEU A 25 10.483 1.867 12.981 1.00 0.00 H new ATOM 458 N VAL A 26 6.515 -1.007 14.786 1.00 0.00 N ATOM 459 CA VAL A 26 5.633 -1.468 15.882 1.00 0.00 C ATOM 460 C VAL A 26 6.429 -1.855 17.141 1.00 0.00 C ATOM 461 O VAL A 26 5.973 -1.628 18.264 1.00 0.00 O ATOM 462 CB VAL A 26 4.718 -2.620 15.405 1.00 0.00 C ATOM 463 CG1 VAL A 26 5.465 -3.935 15.138 1.00 0.00 C ATOM 464 CG2 VAL A 26 3.526 -2.871 16.342 1.00 0.00 C ATOM 0 H VAL A 26 6.459 -1.591 13.952 1.00 0.00 H new ATOM 0 HA VAL A 26 4.995 -0.630 16.164 1.00 0.00 H new ATOM 0 HB VAL A 26 4.330 -2.267 14.449 1.00 0.00 H new ATOM 0 HG11 VAL A 26 4.757 -4.695 14.807 1.00 0.00 H new ATOM 0 HG12 VAL A 26 6.215 -3.776 14.363 1.00 0.00 H new ATOM 0 HG13 VAL A 26 5.954 -4.268 16.054 1.00 0.00 H new ATOM 0 HG21 VAL A 26 2.923 -3.691 15.952 1.00 0.00 H new ATOM 0 HG22 VAL A 26 3.892 -3.131 17.335 1.00 0.00 H new ATOM 0 HG23 VAL A 26 2.916 -1.970 16.404 1.00 0.00 H new ATOM 474 N LYS A 27 7.644 -2.396 16.961 1.00 0.00 N ATOM 475 CA LYS A 27 8.552 -2.824 18.042 1.00 0.00 C ATOM 476 C LYS A 27 9.459 -1.706 18.591 1.00 0.00 C ATOM 477 O LYS A 27 9.996 -1.850 19.691 1.00 0.00 O ATOM 478 CB LYS A 27 9.352 -4.052 17.561 1.00 0.00 C ATOM 479 CG LYS A 27 10.509 -3.749 16.587 1.00 0.00 C ATOM 480 CD LYS A 27 11.874 -3.755 17.292 1.00 0.00 C ATOM 481 CE LYS A 27 13.009 -3.491 16.296 1.00 0.00 C ATOM 482 NZ LYS A 27 14.323 -3.906 16.855 1.00 0.00 N ATOM 0 H LYS A 27 8.035 -2.553 16.032 1.00 0.00 H new ATOM 0 HA LYS A 27 7.939 -3.098 18.900 1.00 0.00 H new ATOM 0 HB2 LYS A 27 9.759 -4.564 18.433 1.00 0.00 H new ATOM 0 HB3 LYS A 27 8.664 -4.745 17.077 1.00 0.00 H new ATOM 0 HG2 LYS A 27 10.512 -4.489 15.786 1.00 0.00 H new ATOM 0 HG3 LYS A 27 10.346 -2.777 16.122 1.00 0.00 H new ATOM 0 HD2 LYS A 27 11.887 -2.995 18.073 1.00 0.00 H new ATOM 0 HD3 LYS A 27 12.031 -4.717 17.780 1.00 0.00 H new ATOM 0 HE2 LYS A 27 12.817 -4.033 15.370 1.00 0.00 H new ATOM 0 HE3 LYS A 27 13.036 -2.431 16.045 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 15.072 -3.716 16.159 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 14.515 -3.370 17.726 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 14.302 -4.923 17.072 1.00 0.00 H new ATOM 496 N LYS A 28 9.636 -0.615 17.833 1.00 0.00 N ATOM 497 CA LYS A 28 10.456 0.571 18.159 1.00 0.00 C ATOM 498 C LYS A 28 9.777 1.463 19.214 1.00 0.00 C ATOM 499 O LYS A 28 10.322 1.568 20.335 1.00 0.00 O ATOM 500 CB LYS A 28 10.762 1.354 16.864 1.00 0.00 C ATOM 501 CG LYS A 28 11.827 0.684 15.974 1.00 0.00 C ATOM 502 CD LYS A 28 13.230 1.250 16.241 1.00 0.00 C ATOM 503 CE LYS A 28 14.274 0.580 15.337 1.00 0.00 C ATOM 504 NZ LYS A 28 15.578 1.296 15.382 1.00 0.00 N ATOM 505 OXT LYS A 28 8.713 2.058 18.925 1.00 0.00 O ATOM 0 H LYS A 28 9.186 -0.527 16.922 1.00 0.00 H new ATOM 0 HA LYS A 28 11.395 0.236 18.599 1.00 0.00 H new ATOM 0 HB2 LYS A 28 9.841 1.467 16.292 1.00 0.00 H new ATOM 0 HB3 LYS A 28 11.099 2.357 17.127 1.00 0.00 H new ATOM 0 HG2 LYS A 28 11.828 -0.391 16.155 1.00 0.00 H new ATOM 0 HG3 LYS A 28 11.569 0.831 14.925 1.00 0.00 H new ATOM 0 HD2 LYS A 28 13.231 2.326 16.068 1.00 0.00 H new ATOM 0 HD3 LYS A 28 13.496 1.095 17.287 1.00 0.00 H new ATOM 0 HE2 LYS A 28 14.416 -0.455 15.649 1.00 0.00 H new ATOM 0 HE3 LYS A 28 13.906 0.556 14.311 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 16.259 0.816 14.760 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 15.447 2.276 15.061 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 15.940 1.297 16.357 1.00 0.00 H new TER 519 LYS A 28