USER MOD reduce.3.24.130724 H: found=0, std=0, add=270, rem=0, adj=4 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+ -167:sc= 0 (180deg=-0.193) 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=-0.00583 X(o=-0.0058,f=-0.0058) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0.115 USER MOD Single : A 10 ASN : amide:sc= 0 K(o=0,f=-0.73) 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+ -143:sc= 0.295 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 14.508 -7.131 12.706 1.00 0.00 N ATOM 2 CA LYS A 1 13.643 -6.042 12.161 1.00 0.00 C ATOM 3 C LYS A 1 13.872 -5.854 10.655 1.00 0.00 C ATOM 4 O LYS A 1 13.071 -6.343 9.860 1.00 0.00 O ATOM 5 CB LYS A 1 13.732 -4.715 12.962 1.00 0.00 C ATOM 6 CG LYS A 1 13.652 -4.919 14.488 1.00 0.00 C ATOM 7 CD LYS A 1 13.163 -3.671 15.238 1.00 0.00 C ATOM 8 CE LYS A 1 13.534 -3.789 16.724 1.00 0.00 C ATOM 9 NZ LYS A 1 12.609 -3.020 17.597 1.00 0.00 N ATOM 0 H1 LYS A 1 14.184 -7.387 13.660 1.00 0.00 H new ATOM 0 H2 LYS A 1 14.450 -7.964 12.085 1.00 0.00 H new ATOM 0 H3 LYS A 1 15.493 -6.801 12.752 1.00 0.00 H new ATOM 0 HA LYS A 1 12.611 -6.368 12.293 1.00 0.00 H new ATOM 0 HB2 LYS A 1 14.668 -4.213 12.718 1.00 0.00 H new ATOM 0 HB3 LYS A 1 12.924 -4.054 12.648 1.00 0.00 H new ATOM 0 HG2 LYS A 1 12.981 -5.751 14.703 1.00 0.00 H new ATOM 0 HG3 LYS A 1 14.636 -5.199 14.863 1.00 0.00 H new ATOM 0 HD2 LYS A 1 13.614 -2.776 14.809 1.00 0.00 H new ATOM 0 HD3 LYS A 1 12.083 -3.568 15.129 1.00 0.00 H new ATOM 0 HE2 LYS A 1 13.520 -4.839 17.018 1.00 0.00 H new ATOM 0 HE3 LYS A 1 14.553 -3.430 16.872 1.00 0.00 H new ATOM 0 HZ1 LYS A 1 12.898 -3.129 18.590 1.00 0.00 H new ATOM 0 HZ2 LYS A 1 12.641 -2.014 17.336 1.00 0.00 H new ATOM 0 HZ3 LYS A 1 11.640 -3.378 17.477 1.00 0.00 H new ATOM 25 N LYS A 2 14.983 -5.224 10.232 1.00 0.00 N ATOM 26 CA LYS A 2 15.320 -4.910 8.821 1.00 0.00 C ATOM 27 C LYS A 2 15.329 -6.129 7.879 1.00 0.00 C ATOM 28 O LYS A 2 14.938 -6.002 6.720 1.00 0.00 O ATOM 29 CB LYS A 2 16.662 -4.147 8.797 1.00 0.00 C ATOM 30 CG LYS A 2 17.029 -3.479 7.459 1.00 0.00 C ATOM 31 CD LYS A 2 16.013 -2.415 7.009 1.00 0.00 C ATOM 32 CE LYS A 2 16.605 -1.554 5.885 1.00 0.00 C ATOM 33 NZ LYS A 2 15.597 -0.617 5.323 1.00 0.00 N ATOM 0 H LYS A 2 15.701 -4.906 10.883 1.00 0.00 H new ATOM 0 HA LYS A 2 14.522 -4.284 8.422 1.00 0.00 H new ATOM 0 HB2 LYS A 2 16.635 -3.379 9.570 1.00 0.00 H new ATOM 0 HB3 LYS A 2 17.458 -4.842 9.065 1.00 0.00 H new ATOM 0 HG2 LYS A 2 18.012 -3.017 7.550 1.00 0.00 H new ATOM 0 HG3 LYS A 2 17.107 -4.245 6.688 1.00 0.00 H new ATOM 0 HD2 LYS A 2 15.099 -2.898 6.663 1.00 0.00 H new ATOM 0 HD3 LYS A 2 15.739 -1.783 7.854 1.00 0.00 H new ATOM 0 HE2 LYS A 2 17.454 -0.988 6.268 1.00 0.00 H new ATOM 0 HE3 LYS A 2 16.984 -2.200 5.093 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 16.032 -0.052 4.566 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 14.798 -1.158 4.935 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 15.254 0.015 6.074 1.00 0.00 H new ATOM 47 N LYS A 3 15.688 -7.324 8.367 1.00 0.00 N ATOM 48 CA LYS A 3 15.633 -8.584 7.590 1.00 0.00 C ATOM 49 C LYS A 3 14.216 -9.005 7.176 1.00 0.00 C ATOM 50 O LYS A 3 14.047 -9.618 6.123 1.00 0.00 O ATOM 51 CB LYS A 3 16.323 -9.726 8.357 1.00 0.00 C ATOM 52 CG LYS A 3 17.844 -9.522 8.375 1.00 0.00 C ATOM 53 CD LYS A 3 18.599 -10.812 8.718 1.00 0.00 C ATOM 54 CE LYS A 3 20.091 -10.593 8.437 1.00 0.00 C ATOM 55 NZ LYS A 3 20.899 -11.797 8.756 1.00 0.00 N ATOM 0 H LYS A 3 16.029 -7.452 9.320 1.00 0.00 H new ATOM 0 HA LYS A 3 16.171 -8.380 6.664 1.00 0.00 H new ATOM 0 HB2 LYS A 3 15.944 -9.767 9.378 1.00 0.00 H new ATOM 0 HB3 LYS A 3 16.084 -10.681 7.890 1.00 0.00 H new ATOM 0 HG2 LYS A 3 18.172 -9.160 7.400 1.00 0.00 H new ATOM 0 HG3 LYS A 3 18.097 -8.751 9.103 1.00 0.00 H new ATOM 0 HD2 LYS A 3 18.445 -11.074 9.765 1.00 0.00 H new ATOM 0 HD3 LYS A 3 18.219 -11.643 8.123 1.00 0.00 H new ATOM 0 HE2 LYS A 3 20.228 -10.332 7.388 1.00 0.00 H new ATOM 0 HE3 LYS A 3 20.451 -9.749 9.025 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 21.901 -11.607 8.552 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 20.789 -12.032 9.763 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 20.574 -12.597 8.177 1.00 0.00 H new ATOM 69 N ASN A 4 13.199 -8.649 7.963 1.00 0.00 N ATOM 70 CA ASN A 4 11.787 -8.915 7.668 1.00 0.00 C ATOM 71 C ASN A 4 11.123 -7.791 6.837 1.00 0.00 C ATOM 72 O ASN A 4 9.955 -7.907 6.473 1.00 0.00 O ATOM 73 CB ASN A 4 11.061 -9.188 9.001 1.00 0.00 C ATOM 74 CG ASN A 4 9.717 -9.880 8.814 1.00 0.00 C ATOM 75 OD1 ASN A 4 8.659 -9.337 9.099 1.00 0.00 O ATOM 76 ND2 ASN A 4 9.716 -11.116 8.363 1.00 0.00 N ATOM 0 H ASN A 4 13.336 -8.156 8.845 1.00 0.00 H new ATOM 0 HA ASN A 4 11.711 -9.796 7.031 1.00 0.00 H new ATOM 0 HB2 ASN A 4 11.697 -9.806 9.635 1.00 0.00 H new ATOM 0 HB3 ASN A 4 10.908 -8.245 9.525 1.00 0.00 H new ATOM 0 HD21 ASN A 4 8.835 -11.618 8.252 1.00 0.00 H new ATOM 0 HD22 ASN A 4 10.596 -11.572 8.124 1.00 0.00 H new ATOM 83 N TRP A 5 11.847 -6.717 6.488 1.00 0.00 N ATOM 84 CA TRP A 5 11.313 -5.566 5.739 1.00 0.00 C ATOM 85 C TRP A 5 10.790 -5.918 4.332 1.00 0.00 C ATOM 86 O TRP A 5 9.949 -5.205 3.780 1.00 0.00 O ATOM 87 CB TRP A 5 12.384 -4.469 5.662 1.00 0.00 C ATOM 88 CG TRP A 5 11.842 -3.085 5.496 1.00 0.00 C ATOM 89 CD1 TRP A 5 12.004 -2.280 4.421 1.00 0.00 C ATOM 90 CD2 TRP A 5 11.026 -2.337 6.446 1.00 0.00 C ATOM 91 NE1 TRP A 5 11.339 -1.086 4.641 1.00 0.00 N ATOM 92 CE2 TRP A 5 10.706 -1.074 5.867 1.00 0.00 C ATOM 93 CE3 TRP A 5 10.517 -2.606 7.736 1.00 0.00 C ATOM 94 CZ2 TRP A 5 9.906 -0.129 6.529 1.00 0.00 C ATOM 95 CZ3 TRP A 5 9.720 -1.662 8.412 1.00 0.00 C ATOM 96 CH2 TRP A 5 9.408 -0.429 7.810 1.00 0.00 C ATOM 0 H TRP A 5 12.835 -6.621 6.721 1.00 0.00 H new ATOM 0 HA TRP A 5 10.442 -5.210 6.288 1.00 0.00 H new ATOM 0 HB2 TRP A 5 12.987 -4.503 6.569 1.00 0.00 H new ATOM 0 HB3 TRP A 5 13.051 -4.687 4.828 1.00 0.00 H new ATOM 0 HD1 TRP A 5 12.564 -2.529 3.532 1.00 0.00 H new ATOM 0 HE1 TRP A 5 11.319 -0.311 3.979 1.00 0.00 H new ATOM 0 HE3 TRP A 5 10.742 -3.549 8.211 1.00 0.00 H new ATOM 0 HZ2 TRP A 5 9.676 0.817 6.061 1.00 0.00 H new ATOM 0 HZ3 TRP A 5 9.345 -1.886 9.400 1.00 0.00 H new ATOM 0 HH2 TRP A 5 8.787 0.286 8.330 1.00 0.00 H new ATOM 107 N PHE A 6 11.254 -7.036 3.761 1.00 0.00 N ATOM 108 CA PHE A 6 10.790 -7.576 2.479 1.00 0.00 C ATOM 109 C PHE A 6 9.333 -8.092 2.527 1.00 0.00 C ATOM 110 O PHE A 6 8.726 -8.311 1.477 1.00 0.00 O ATOM 111 CB PHE A 6 11.749 -8.692 2.020 1.00 0.00 C ATOM 112 CG PHE A 6 12.254 -8.591 0.588 1.00 0.00 C ATOM 113 CD1 PHE A 6 11.402 -8.233 -0.478 1.00 0.00 C ATOM 114 CD2 PHE A 6 13.603 -8.893 0.317 1.00 0.00 C ATOM 115 CE1 PHE A 6 11.889 -8.195 -1.797 1.00 0.00 C ATOM 116 CE2 PHE A 6 14.090 -8.861 -1.002 1.00 0.00 C ATOM 117 CZ PHE A 6 13.232 -8.516 -2.061 1.00 0.00 C ATOM 0 H PHE A 6 11.983 -7.605 4.191 1.00 0.00 H new ATOM 0 HA PHE A 6 10.794 -6.758 1.758 1.00 0.00 H new ATOM 0 HB2 PHE A 6 12.610 -8.701 2.688 1.00 0.00 H new ATOM 0 HB3 PHE A 6 11.243 -9.650 2.139 1.00 0.00 H new ATOM 0 HD1 PHE A 6 10.369 -7.987 -0.280 1.00 0.00 H new ATOM 0 HD2 PHE A 6 14.268 -9.151 1.128 1.00 0.00 H new ATOM 0 HE1 PHE A 6 11.231 -7.919 -2.608 1.00 0.00 H new ATOM 0 HE2 PHE A 6 15.124 -9.102 -1.202 1.00 0.00 H new ATOM 0 HZ PHE A 6 13.604 -8.498 -3.075 1.00 0.00 H new ATOM 127 N ASP A 7 8.747 -8.298 3.714 1.00 0.00 N ATOM 128 CA ASP A 7 7.339 -8.683 3.872 1.00 0.00 C ATOM 129 C ASP A 7 6.444 -7.509 3.449 1.00 0.00 C ATOM 130 O ASP A 7 6.160 -6.602 4.239 1.00 0.00 O ATOM 131 CB ASP A 7 7.021 -9.136 5.310 1.00 0.00 C ATOM 132 CG ASP A 7 7.356 -10.616 5.576 1.00 0.00 C ATOM 133 OD1 ASP A 7 8.412 -11.114 5.119 1.00 0.00 O ATOM 134 OD2 ASP A 7 6.549 -11.303 6.248 1.00 0.00 O ATOM 0 H ASP A 7 9.243 -8.201 4.600 1.00 0.00 H new ATOM 0 HA ASP A 7 7.140 -9.540 3.228 1.00 0.00 H new ATOM 0 HB2 ASP A 7 7.579 -8.514 6.010 1.00 0.00 H new ATOM 0 HB3 ASP A 7 5.962 -8.970 5.509 1.00 0.00 H new ATOM 139 N ILE A 8 6.002 -7.520 2.185 1.00 0.00 N ATOM 140 CA ILE A 8 5.164 -6.465 1.595 1.00 0.00 C ATOM 141 C ILE A 8 3.885 -6.218 2.405 1.00 0.00 C ATOM 142 O ILE A 8 3.358 -5.112 2.415 1.00 0.00 O ATOM 143 CB ILE A 8 4.857 -6.727 0.102 1.00 0.00 C ATOM 144 CG1 ILE A 8 3.892 -7.914 -0.119 1.00 0.00 C ATOM 145 CG2 ILE A 8 6.173 -6.929 -0.672 1.00 0.00 C ATOM 146 CD1 ILE A 8 3.483 -8.111 -1.584 1.00 0.00 C ATOM 0 H ILE A 8 6.219 -8.273 1.532 1.00 0.00 H new ATOM 0 HA ILE A 8 5.749 -5.547 1.641 1.00 0.00 H new ATOM 0 HB ILE A 8 4.341 -5.848 -0.283 1.00 0.00 H new ATOM 0 HG12 ILE A 8 4.364 -8.827 0.243 1.00 0.00 H new ATOM 0 HG13 ILE A 8 2.996 -7.759 0.482 1.00 0.00 H new ATOM 0 HG21 ILE A 8 5.952 -7.113 -1.723 1.00 0.00 H new ATOM 0 HG22 ILE A 8 6.789 -6.034 -0.582 1.00 0.00 H new ATOM 0 HG23 ILE A 8 6.711 -7.783 -0.259 1.00 0.00 H new ATOM 0 HD11 ILE A 8 2.806 -8.962 -1.661 1.00 0.00 H new ATOM 0 HD12 ILE A 8 2.981 -7.213 -1.946 1.00 0.00 H new ATOM 0 HD13 ILE A 8 4.371 -8.298 -2.188 1.00 0.00 H new ATOM 158 N THR A 9 3.425 -7.229 3.146 1.00 0.00 N ATOM 159 CA THR A 9 2.293 -7.222 4.081 1.00 0.00 C ATOM 160 C THR A 9 2.375 -6.139 5.162 1.00 0.00 C ATOM 161 O THR A 9 1.332 -5.702 5.650 1.00 0.00 O ATOM 162 CB THR A 9 2.133 -8.599 4.766 1.00 0.00 C ATOM 163 OG1 THR A 9 3.313 -9.377 4.654 1.00 0.00 O ATOM 164 CG2 THR A 9 0.999 -9.412 4.147 1.00 0.00 C ATOM 0 H THR A 9 3.868 -8.147 3.106 1.00 0.00 H new ATOM 0 HA THR A 9 1.424 -6.995 3.464 1.00 0.00 H new ATOM 0 HB THR A 9 1.915 -8.384 5.812 1.00 0.00 H new ATOM 0 HG1 THR A 9 3.179 -10.240 5.099 1.00 0.00 H new ATOM 0 HG21 THR A 9 0.920 -10.372 4.656 1.00 0.00 H new ATOM 0 HG22 THR A 9 0.061 -8.867 4.252 1.00 0.00 H new ATOM 0 HG23 THR A 9 1.205 -9.578 3.090 1.00 0.00 H new ATOM 172 N ASN A 10 3.573 -5.660 5.518 1.00 0.00 N ATOM 173 CA ASN A 10 3.747 -4.556 6.465 1.00 0.00 C ATOM 174 C ASN A 10 3.243 -3.215 5.886 1.00 0.00 C ATOM 175 O ASN A 10 2.449 -2.516 6.518 1.00 0.00 O ATOM 176 CB ASN A 10 5.226 -4.499 6.895 1.00 0.00 C ATOM 177 CG ASN A 10 5.464 -3.575 8.083 1.00 0.00 C ATOM 178 OD1 ASN A 10 4.603 -3.341 8.919 1.00 0.00 O ATOM 179 ND2 ASN A 10 6.652 -3.034 8.219 1.00 0.00 N ATOM 0 H ASN A 10 4.451 -6.030 5.155 1.00 0.00 H new ATOM 0 HA ASN A 10 3.134 -4.736 7.348 1.00 0.00 H new ATOM 0 HB2 ASN A 10 5.564 -5.504 7.149 1.00 0.00 H new ATOM 0 HB3 ASN A 10 5.831 -4.163 6.053 1.00 0.00 H new ATOM 0 HD21 ASN A 10 6.848 -2.427 9.015 1.00 0.00 H new ATOM 0 HD22 ASN A 10 7.380 -3.221 7.529 1.00 0.00 H new ATOM 186 N TRP A 11 3.681 -2.867 4.671 1.00 0.00 N ATOM 187 CA TRP A 11 3.298 -1.646 3.943 1.00 0.00 C ATOM 188 C TRP A 11 2.133 -1.818 2.947 1.00 0.00 C ATOM 189 O TRP A 11 1.685 -0.838 2.351 1.00 0.00 O ATOM 190 CB TRP A 11 4.550 -1.011 3.320 1.00 0.00 C ATOM 191 CG TRP A 11 5.429 -1.903 2.499 1.00 0.00 C ATOM 192 CD1 TRP A 11 6.526 -2.546 2.957 1.00 0.00 C ATOM 193 CD2 TRP A 11 5.335 -2.225 1.080 1.00 0.00 C ATOM 194 NE1 TRP A 11 7.135 -3.222 1.915 1.00 0.00 N ATOM 195 CE2 TRP A 11 6.452 -3.040 0.729 1.00 0.00 C ATOM 196 CE3 TRP A 11 4.432 -1.891 0.049 1.00 0.00 C ATOM 197 CZ2 TRP A 11 6.673 -3.480 -0.585 1.00 0.00 C ATOM 198 CZ3 TRP A 11 4.631 -2.349 -1.269 1.00 0.00 C ATOM 199 CH2 TRP A 11 5.749 -3.140 -1.588 1.00 0.00 C ATOM 0 H TRP A 11 4.336 -3.447 4.146 1.00 0.00 H new ATOM 0 HA TRP A 11 2.878 -0.954 4.673 1.00 0.00 H new ATOM 0 HB2 TRP A 11 4.231 -0.179 2.692 1.00 0.00 H new ATOM 0 HB3 TRP A 11 5.152 -0.590 4.125 1.00 0.00 H new ATOM 0 HD1 TRP A 11 6.874 -2.534 3.979 1.00 0.00 H new ATOM 0 HE1 TRP A 11 7.981 -3.784 2.011 1.00 0.00 H new ATOM 0 HE3 TRP A 11 3.574 -1.274 0.273 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 7.543 -4.073 -0.823 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 3.920 -2.091 -2.039 1.00 0.00 H new ATOM 0 HH2 TRP A 11 5.897 -3.485 -2.601 1.00 0.00 H new ATOM 210 N LEU A 12 1.564 -3.022 2.817 1.00 0.00 N ATOM 211 CA LEU A 12 0.397 -3.328 1.976 1.00 0.00 C ATOM 212 C LEU A 12 -0.817 -2.450 2.301 1.00 0.00 C ATOM 213 O LEU A 12 -1.638 -2.181 1.424 1.00 0.00 O ATOM 214 CB LEU A 12 -0.014 -4.811 2.140 1.00 0.00 C ATOM 215 CG LEU A 12 0.290 -5.742 0.949 1.00 0.00 C ATOM 216 CD1 LEU A 12 -0.200 -7.167 1.245 1.00 0.00 C ATOM 217 CD2 LEU A 12 -0.398 -5.265 -0.336 1.00 0.00 C ATOM 0 H LEU A 12 1.915 -3.842 3.312 1.00 0.00 H new ATOM 0 HA LEU A 12 0.701 -3.123 0.950 1.00 0.00 H new ATOM 0 HB2 LEU A 12 0.488 -5.209 3.022 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -1.085 -4.849 2.339 1.00 0.00 H new ATOM 0 HG LEU A 12 1.371 -5.727 0.806 1.00 0.00 H new ATOM 0 HD11 LEU A 12 0.022 -7.812 0.395 1.00 0.00 H new ATOM 0 HD12 LEU A 12 0.306 -7.549 2.132 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -1.276 -7.153 1.419 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -0.159 -5.947 -1.152 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -1.477 -5.244 -0.185 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -0.047 -4.264 -0.586 1.00 0.00 H new ATOM 229 N TRP A 13 -0.929 -1.988 3.548 1.00 0.00 N ATOM 230 CA TRP A 13 -2.034 -1.135 3.983 1.00 0.00 C ATOM 231 C TRP A 13 -2.063 0.193 3.225 1.00 0.00 C ATOM 232 O TRP A 13 -3.112 0.592 2.724 1.00 0.00 O ATOM 233 CB TRP A 13 -1.958 -0.896 5.488 1.00 0.00 C ATOM 234 CG TRP A 13 -3.150 -0.155 6.011 1.00 0.00 C ATOM 235 CD1 TRP A 13 -4.379 -0.683 6.214 1.00 0.00 C ATOM 236 CD2 TRP A 13 -3.268 1.269 6.302 1.00 0.00 C ATOM 237 NE1 TRP A 13 -5.249 0.317 6.613 1.00 0.00 N ATOM 238 CE2 TRP A 13 -4.617 1.543 6.677 1.00 0.00 C ATOM 239 CE3 TRP A 13 -2.375 2.361 6.259 1.00 0.00 C ATOM 240 CZ2 TRP A 13 -5.058 2.836 6.997 1.00 0.00 C ATOM 241 CZ3 TRP A 13 -2.805 3.662 6.581 1.00 0.00 C ATOM 242 CH2 TRP A 13 -4.140 3.900 6.952 1.00 0.00 C ATOM 0 H TRP A 13 -0.255 -2.196 4.285 1.00 0.00 H new ATOM 0 HA TRP A 13 -2.963 -1.657 3.755 1.00 0.00 H new ATOM 0 HB2 TRP A 13 -1.876 -1.854 6.001 1.00 0.00 H new ATOM 0 HB3 TRP A 13 -1.054 -0.332 5.718 1.00 0.00 H new ATOM 0 HD1 TRP A 13 -4.641 -1.723 6.085 1.00 0.00 H new ATOM 0 HE1 TRP A 13 -6.234 0.167 6.832 1.00 0.00 H new ATOM 0 HE3 TRP A 13 -1.346 2.196 5.975 1.00 0.00 H new ATOM 0 HZ2 TRP A 13 -6.087 3.011 7.274 1.00 0.00 H new ATOM 0 HZ3 TRP A 13 -2.105 4.483 6.543 1.00 0.00 H new ATOM 0 HH2 TRP A 13 -4.461 4.900 7.203 1.00 0.00 H new ATOM 253 N TYR A 14 -0.907 0.847 3.075 1.00 0.00 N ATOM 254 CA TYR A 14 -0.767 2.074 2.284 1.00 0.00 C ATOM 255 C TYR A 14 -1.072 1.831 0.798 1.00 0.00 C ATOM 256 O TYR A 14 -1.597 2.717 0.126 1.00 0.00 O ATOM 257 CB TYR A 14 0.645 2.657 2.450 1.00 0.00 C ATOM 258 CG TYR A 14 1.121 2.747 3.890 1.00 0.00 C ATOM 259 CD1 TYR A 14 0.626 3.744 4.752 1.00 0.00 C ATOM 260 CD2 TYR A 14 2.036 1.796 4.375 1.00 0.00 C ATOM 261 CE1 TYR A 14 1.038 3.777 6.100 1.00 0.00 C ATOM 262 CE2 TYR A 14 2.449 1.816 5.720 1.00 0.00 C ATOM 263 CZ TYR A 14 1.947 2.810 6.589 1.00 0.00 C ATOM 264 OH TYR A 14 2.340 2.827 7.893 1.00 0.00 O ATOM 0 H TYR A 14 -0.034 0.537 3.503 1.00 0.00 H new ATOM 0 HA TYR A 14 -1.497 2.793 2.657 1.00 0.00 H new ATOM 0 HB2 TYR A 14 1.347 2.043 1.886 1.00 0.00 H new ATOM 0 HB3 TYR A 14 0.668 3.654 2.010 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -0.069 4.483 4.381 1.00 0.00 H new ATOM 0 HD2 TYR A 14 2.426 1.042 3.708 1.00 0.00 H new ATOM 0 HE1 TYR A 14 0.659 4.542 6.761 1.00 0.00 H new ATOM 0 HE2 TYR A 14 3.145 1.076 6.086 1.00 0.00 H new ATOM 0 HH TYR A 14 2.966 2.090 8.056 1.00 0.00 H new ATOM 274 N ILE A 15 -0.800 0.621 0.288 1.00 0.00 N ATOM 275 CA ILE A 15 -1.125 0.226 -1.094 1.00 0.00 C ATOM 276 C ILE A 15 -2.638 0.060 -1.277 1.00 0.00 C ATOM 277 O ILE A 15 -3.199 0.600 -2.225 1.00 0.00 O ATOM 278 CB ILE A 15 -0.366 -1.046 -1.537 1.00 0.00 C ATOM 279 CG1 ILE A 15 1.146 -0.991 -1.234 1.00 0.00 C ATOM 280 CG2 ILE A 15 -0.597 -1.309 -3.035 1.00 0.00 C ATOM 281 CD1 ILE A 15 1.892 0.235 -1.783 1.00 0.00 C ATOM 0 H ILE A 15 -0.345 -0.117 0.825 1.00 0.00 H new ATOM 0 HA ILE A 15 -0.789 1.035 -1.743 1.00 0.00 H new ATOM 0 HB ILE A 15 -0.772 -1.869 -0.949 1.00 0.00 H new ATOM 0 HG12 ILE A 15 1.282 -1.022 -0.153 1.00 0.00 H new ATOM 0 HG13 ILE A 15 1.612 -1.889 -1.640 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -0.057 -2.207 -3.334 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -1.662 -1.447 -3.220 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -0.236 -0.459 -3.614 1.00 0.00 H new ATOM 0 HD11 ILE A 15 2.946 0.171 -1.512 1.00 0.00 H new ATOM 0 HD12 ILE A 15 1.797 0.263 -2.869 1.00 0.00 H new ATOM 0 HD13 ILE A 15 1.463 1.142 -1.358 1.00 0.00 H new ATOM 293 N LYS A 16 -3.325 -0.641 -0.368 1.00 0.00 N ATOM 294 CA LYS A 16 -4.792 -0.778 -0.380 1.00 0.00 C ATOM 295 C LYS A 16 -5.466 0.590 -0.195 1.00 0.00 C ATOM 296 O LYS A 16 -6.374 0.942 -0.949 1.00 0.00 O ATOM 297 CB LYS A 16 -5.191 -1.830 0.674 1.00 0.00 C ATOM 298 CG LYS A 16 -6.634 -2.358 0.570 1.00 0.00 C ATOM 299 CD LYS A 16 -7.702 -1.422 1.164 1.00 0.00 C ATOM 300 CE LYS A 16 -8.980 -2.178 1.561 1.00 0.00 C ATOM 301 NZ LYS A 16 -9.697 -2.759 0.394 1.00 0.00 N ATOM 0 H LYS A 16 -2.878 -1.135 0.405 1.00 0.00 H new ATOM 0 HA LYS A 16 -5.147 -1.136 -1.346 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -4.507 -2.675 0.596 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -5.051 -1.397 1.665 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -6.868 -2.535 -0.480 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -6.692 -3.322 1.076 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -7.294 -0.917 2.039 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -7.950 -0.649 0.437 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -8.722 -2.977 2.257 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -9.648 -1.498 2.090 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -10.549 -3.256 0.723 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -9.970 -1.998 -0.260 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -9.073 -3.430 -0.098 1.00 0.00 H new ATOM 315 N LEU A 17 -4.985 1.396 0.757 1.00 0.00 N ATOM 316 CA LEU A 17 -5.448 2.766 0.999 1.00 0.00 C ATOM 317 C LEU A 17 -5.190 3.709 -0.184 1.00 0.00 C ATOM 318 O LEU A 17 -5.991 4.614 -0.393 1.00 0.00 O ATOM 319 CB LEU A 17 -4.841 3.314 2.306 1.00 0.00 C ATOM 320 CG LEU A 17 -5.320 4.751 2.621 1.00 0.00 C ATOM 321 CD1 LEU A 17 -5.764 4.917 4.067 1.00 0.00 C ATOM 322 CD2 LEU A 17 -4.219 5.781 2.360 1.00 0.00 C ATOM 0 H LEU A 17 -4.245 1.107 1.396 1.00 0.00 H new ATOM 0 HA LEU A 17 -6.532 2.722 1.108 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -5.109 2.655 3.132 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -3.754 3.305 2.230 1.00 0.00 H new ATOM 0 HG LEU A 17 -6.169 4.920 1.958 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -6.090 5.944 4.232 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -6.590 4.237 4.274 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -4.931 4.689 4.732 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -4.592 6.779 2.592 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -3.357 5.560 2.990 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -3.923 5.739 1.312 1.00 0.00 H new ATOM 334 N PHE A 18 -4.151 3.504 -1.001 1.00 0.00 N ATOM 335 CA PHE A 18 -3.920 4.318 -2.201 1.00 0.00 C ATOM 336 C PHE A 18 -5.165 4.390 -3.098 1.00 0.00 C ATOM 337 O PHE A 18 -5.491 5.470 -3.574 1.00 0.00 O ATOM 338 CB PHE A 18 -2.681 3.846 -2.975 1.00 0.00 C ATOM 339 CG PHE A 18 -2.411 4.571 -4.286 1.00 0.00 C ATOM 340 CD1 PHE A 18 -2.506 5.976 -4.383 1.00 0.00 C ATOM 341 CD2 PHE A 18 -2.047 3.826 -5.424 1.00 0.00 C ATOM 342 CE1 PHE A 18 -2.200 6.626 -5.591 1.00 0.00 C ATOM 343 CE2 PHE A 18 -1.750 4.475 -6.636 1.00 0.00 C ATOM 344 CZ PHE A 18 -1.813 5.878 -6.715 1.00 0.00 C ATOM 0 H PHE A 18 -3.452 2.776 -0.852 1.00 0.00 H new ATOM 0 HA PHE A 18 -3.719 5.335 -1.863 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -1.808 3.958 -2.332 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -2.789 2.782 -3.184 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -2.815 6.554 -3.525 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -1.995 2.749 -5.366 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -2.263 7.702 -5.655 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -1.474 3.897 -7.505 1.00 0.00 H new ATOM 0 HZ PHE A 18 -1.564 6.379 -7.639 1.00 0.00 H new ATOM 354 N ILE A 19 -5.921 3.298 -3.256 1.00 0.00 N ATOM 355 CA ILE A 19 -7.190 3.286 -4.005 1.00 0.00 C ATOM 356 C ILE A 19 -8.318 4.035 -3.252 1.00 0.00 C ATOM 357 O ILE A 19 -9.191 4.651 -3.865 1.00 0.00 O ATOM 358 CB ILE A 19 -7.621 1.833 -4.323 1.00 0.00 C ATOM 359 CG1 ILE A 19 -6.619 1.043 -5.204 1.00 0.00 C ATOM 360 CG2 ILE A 19 -8.991 1.843 -5.027 1.00 0.00 C ATOM 361 CD1 ILE A 19 -5.404 0.467 -4.471 1.00 0.00 C ATOM 0 H ILE A 19 -5.671 2.389 -2.866 1.00 0.00 H new ATOM 0 HA ILE A 19 -7.018 3.816 -4.942 1.00 0.00 H new ATOM 0 HB ILE A 19 -7.662 1.322 -3.361 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -7.153 0.223 -5.684 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -6.264 1.700 -5.998 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -9.293 0.820 -5.250 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -9.732 2.306 -4.375 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -8.919 2.411 -5.955 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -4.770 -0.065 -5.180 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -4.837 1.278 -4.014 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -5.740 -0.222 -3.696 1.00 0.00 H new ATOM 373 N MET A 20 -8.307 4.018 -1.918 1.00 0.00 N ATOM 374 CA MET A 20 -9.300 4.688 -1.065 1.00 0.00 C ATOM 375 C MET A 20 -9.139 6.220 -1.080 1.00 0.00 C ATOM 376 O MET A 20 -10.126 6.937 -1.250 1.00 0.00 O ATOM 377 CB MET A 20 -9.208 4.149 0.374 1.00 0.00 C ATOM 378 CG MET A 20 -9.478 2.638 0.475 1.00 0.00 C ATOM 379 SD MET A 20 -11.229 2.177 0.575 1.00 0.00 S ATOM 380 CE MET A 20 -11.503 2.470 2.347 1.00 0.00 C ATOM 0 H MET A 20 -7.591 3.526 -1.384 1.00 0.00 H new ATOM 0 HA MET A 20 -10.287 4.466 -1.471 1.00 0.00 H new ATOM 0 HB2 MET A 20 -8.216 4.361 0.772 1.00 0.00 H new ATOM 0 HB3 MET A 20 -9.923 4.682 1.001 1.00 0.00 H new ATOM 0 HG2 MET A 20 -9.038 2.147 -0.393 1.00 0.00 H new ATOM 0 HG3 MET A 20 -8.965 2.251 1.355 1.00 0.00 H new ATOM 0 HE1 MET A 20 -12.538 2.238 2.598 1.00 0.00 H new ATOM 0 HE2 MET A 20 -10.836 1.833 2.928 1.00 0.00 H new ATOM 0 HE3 MET A 20 -11.299 3.515 2.579 1.00 0.00 H new ATOM 390 N ILE A 21 -7.908 6.734 -0.929 1.00 0.00 N ATOM 391 CA ILE A 21 -7.599 8.178 -0.959 1.00 0.00 C ATOM 392 C ILE A 21 -7.890 8.812 -2.331 1.00 0.00 C ATOM 393 O ILE A 21 -8.472 9.898 -2.395 1.00 0.00 O ATOM 394 CB ILE A 21 -6.158 8.462 -0.461 1.00 0.00 C ATOM 395 CG1 ILE A 21 -5.908 9.980 -0.332 1.00 0.00 C ATOM 396 CG2 ILE A 21 -5.068 7.812 -1.325 1.00 0.00 C ATOM 397 CD1 ILE A 21 -4.585 10.336 0.363 1.00 0.00 C ATOM 0 H ILE A 21 -7.084 6.151 -0.780 1.00 0.00 H new ATOM 0 HA ILE A 21 -8.276 8.666 -0.258 1.00 0.00 H new ATOM 0 HB ILE A 21 -6.088 7.999 0.523 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -5.916 10.425 -1.327 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -6.731 10.428 0.224 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -4.087 8.054 -0.916 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -5.203 6.730 -1.328 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -5.139 8.189 -2.345 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -4.482 11.420 0.416 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -4.581 9.922 1.371 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -3.753 9.919 -0.204 1.00 0.00 H new ATOM 409 N VAL A 22 -7.532 8.136 -3.429 1.00 0.00 N ATOM 410 CA VAL A 22 -7.812 8.597 -4.805 1.00 0.00 C ATOM 411 C VAL A 22 -9.295 8.515 -5.180 1.00 0.00 C ATOM 412 O VAL A 22 -9.774 9.361 -5.931 1.00 0.00 O ATOM 413 CB VAL A 22 -6.995 7.815 -5.852 1.00 0.00 C ATOM 414 CG1 VAL A 22 -5.495 8.013 -5.674 1.00 0.00 C ATOM 415 CG2 VAL A 22 -7.329 6.329 -5.899 1.00 0.00 C ATOM 0 H VAL A 22 -7.036 7.246 -3.393 1.00 0.00 H new ATOM 0 HA VAL A 22 -7.514 9.645 -4.813 1.00 0.00 H new ATOM 0 HB VAL A 22 -7.290 8.239 -6.812 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -4.960 7.443 -6.434 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -5.253 9.071 -5.776 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -5.197 7.667 -4.684 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -6.716 5.842 -6.658 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -7.127 5.880 -4.927 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -8.383 6.201 -6.146 1.00 0.00 H new ATOM 425 N GLY A 23 -10.014 7.497 -4.695 1.00 0.00 N ATOM 426 CA GLY A 23 -11.360 7.101 -5.120 1.00 0.00 C ATOM 427 C GLY A 23 -11.506 6.999 -6.643 1.00 0.00 C ATOM 428 O GLY A 23 -11.187 5.969 -7.237 1.00 0.00 O ATOM 0 H GLY A 23 -9.652 6.895 -3.955 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -11.607 6.138 -4.672 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -12.082 7.824 -4.740 1.00 0.00 H new ATOM 432 N GLY A 24 -11.949 8.082 -7.286 1.00 0.00 N ATOM 433 CA GLY A 24 -12.108 8.174 -8.742 1.00 0.00 C ATOM 434 C GLY A 24 -10.794 8.274 -9.531 1.00 0.00 C ATOM 435 O GLY A 24 -10.755 7.853 -10.689 1.00 0.00 O ATOM 0 H GLY A 24 -12.213 8.939 -6.800 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -12.657 7.299 -9.089 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -12.720 9.046 -8.972 1.00 0.00 H new ATOM 439 N LEU A 25 -9.703 8.782 -8.932 1.00 0.00 N ATOM 440 CA LEU A 25 -8.407 8.935 -9.626 1.00 0.00 C ATOM 441 C LEU A 25 -7.613 7.612 -9.739 1.00 0.00 C ATOM 442 O LEU A 25 -6.510 7.610 -10.281 1.00 0.00 O ATOM 443 CB LEU A 25 -7.528 10.068 -9.031 1.00 0.00 C ATOM 444 CG LEU A 25 -8.233 11.299 -8.435 1.00 0.00 C ATOM 445 CD1 LEU A 25 -7.195 12.274 -7.880 1.00 0.00 C ATOM 446 CD2 LEU A 25 -9.096 12.041 -9.458 1.00 0.00 C ATOM 0 H LEU A 25 -9.691 9.096 -7.962 1.00 0.00 H new ATOM 0 HA LEU A 25 -8.671 9.233 -10.641 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -6.905 9.631 -8.251 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -6.857 10.416 -9.817 1.00 0.00 H new ATOM 0 HG LEU A 25 -8.887 10.931 -7.645 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -7.701 13.143 -7.460 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -6.613 11.781 -7.102 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -6.530 12.594 -8.683 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -9.568 12.900 -8.981 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -8.470 12.383 -10.282 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -9.865 11.370 -9.840 1.00 0.00 H new ATOM 458 N VAL A 26 -8.152 6.482 -9.255 1.00 0.00 N ATOM 459 CA VAL A 26 -7.512 5.145 -9.227 1.00 0.00 C ATOM 460 C VAL A 26 -6.953 4.679 -10.578 1.00 0.00 C ATOM 461 O VAL A 26 -5.885 4.064 -10.632 1.00 0.00 O ATOM 462 CB VAL A 26 -8.483 4.100 -8.633 1.00 0.00 C ATOM 463 CG1 VAL A 26 -9.722 3.825 -9.494 1.00 0.00 C ATOM 464 CG2 VAL A 26 -7.775 2.776 -8.346 1.00 0.00 C ATOM 0 H VAL A 26 -9.089 6.468 -8.852 1.00 0.00 H new ATOM 0 HA VAL A 26 -6.639 5.243 -8.581 1.00 0.00 H new ATOM 0 HB VAL A 26 -8.831 4.552 -7.704 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -10.348 3.080 -9.003 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -10.288 4.748 -9.622 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -9.411 3.451 -10.470 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -8.488 2.065 -7.929 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -7.363 2.376 -9.272 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -6.969 2.942 -7.632 1.00 0.00 H new ATOM 474 N LYS A 27 -7.637 5.016 -11.678 1.00 0.00 N ATOM 475 CA LYS A 27 -7.212 4.726 -13.059 1.00 0.00 C ATOM 476 C LYS A 27 -5.948 5.481 -13.510 1.00 0.00 C ATOM 477 O LYS A 27 -5.278 5.010 -14.432 1.00 0.00 O ATOM 478 CB LYS A 27 -8.372 5.038 -14.024 1.00 0.00 C ATOM 479 CG LYS A 27 -9.299 3.832 -14.229 1.00 0.00 C ATOM 480 CD LYS A 27 -10.386 4.178 -15.258 1.00 0.00 C ATOM 481 CE LYS A 27 -11.535 3.164 -15.226 1.00 0.00 C ATOM 482 NZ LYS A 27 -12.635 3.569 -16.140 1.00 0.00 N ATOM 0 H LYS A 27 -8.527 5.512 -11.634 1.00 0.00 H new ATOM 0 HA LYS A 27 -6.950 3.668 -13.080 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -8.950 5.876 -13.635 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -7.967 5.350 -14.987 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -8.722 2.973 -14.571 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -9.759 3.550 -13.282 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -10.775 5.176 -15.056 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -9.949 4.202 -16.256 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -11.164 2.180 -15.513 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -11.917 3.076 -14.209 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -13.399 2.864 -16.098 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -13.004 4.497 -15.850 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -12.273 3.629 -17.113 1.00 0.00 H new ATOM 496 N LYS A 28 -5.620 6.616 -12.873 1.00 0.00 N ATOM 497 CA LYS A 28 -4.685 7.668 -13.331 1.00 0.00 C ATOM 498 C LYS A 28 -4.749 7.893 -14.858 1.00 0.00 C ATOM 499 O LYS A 28 -5.816 8.355 -15.324 1.00 0.00 O ATOM 500 CB LYS A 28 -3.257 7.435 -12.786 1.00 0.00 C ATOM 501 CG LYS A 28 -3.097 7.702 -11.276 1.00 0.00 C ATOM 502 CD LYS A 28 -3.338 6.494 -10.359 1.00 0.00 C ATOM 503 CE LYS A 28 -2.247 5.419 -10.503 1.00 0.00 C ATOM 504 NZ LYS A 28 -2.787 4.129 -11.010 1.00 0.00 N ATOM 505 OXT LYS A 28 -3.758 7.641 -15.583 1.00 0.00 O ATOM 0 H LYS A 28 -6.025 6.843 -11.965 1.00 0.00 H new ATOM 0 HA LYS A 28 -5.016 8.613 -12.900 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -2.967 6.405 -12.993 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -2.565 8.077 -13.331 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -2.089 8.076 -11.096 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -3.787 8.496 -10.990 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -3.378 6.830 -9.323 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -4.309 6.055 -10.589 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -1.474 5.778 -11.182 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -1.771 5.256 -9.536 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -2.296 3.340 -10.544 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -3.805 4.074 -10.804 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -2.638 4.070 -12.038 1.00 0.00 H new TER 519 LYS A 28