USER MOD reduce.3.24.130724 H: found=0, std=0, add=270, rem=0, adj=5 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+ 175:sc= 0 (180deg=-0.0232) USER MOD Single : A 2 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.00189) 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 -78:sc= 0.459 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 176:sc= 0 (180deg=-0.0287) 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 -11.370 7.313 -6.515 1.00 0.00 N ATOM 2 CA LYS A 1 -10.897 6.045 -7.145 1.00 0.00 C ATOM 3 C LYS A 1 -11.766 5.668 -8.361 1.00 0.00 C ATOM 4 O LYS A 1 -12.596 4.758 -8.280 1.00 0.00 O ATOM 5 CB LYS A 1 -10.847 4.911 -6.088 1.00 0.00 C ATOM 6 CG LYS A 1 -10.212 3.599 -6.596 1.00 0.00 C ATOM 7 CD LYS A 1 -10.677 2.378 -5.781 1.00 0.00 C ATOM 8 CE LYS A 1 -12.142 1.966 -6.024 1.00 0.00 C ATOM 9 NZ LYS A 1 -12.387 1.491 -7.413 1.00 0.00 N ATOM 0 H1 LYS A 1 -10.766 7.542 -5.700 1.00 0.00 H new ATOM 0 H2 LYS A 1 -11.321 8.085 -7.210 1.00 0.00 H new ATOM 0 H3 LYS A 1 -12.353 7.197 -6.196 1.00 0.00 H new ATOM 0 HA LYS A 1 -9.885 6.196 -7.520 1.00 0.00 H new ATOM 0 HB2 LYS A 1 -10.286 5.262 -5.222 1.00 0.00 H new ATOM 0 HB3 LYS A 1 -11.861 4.702 -5.747 1.00 0.00 H new ATOM 0 HG2 LYS A 1 -10.470 3.454 -7.645 1.00 0.00 H new ATOM 0 HG3 LYS A 1 -9.126 3.678 -6.543 1.00 0.00 H new ATOM 0 HD2 LYS A 1 -10.031 1.532 -6.017 1.00 0.00 H new ATOM 0 HD3 LYS A 1 -10.545 2.593 -4.721 1.00 0.00 H new ATOM 0 HE2 LYS A 1 -12.413 1.177 -5.322 1.00 0.00 H new ATOM 0 HE3 LYS A 1 -12.792 2.816 -5.816 1.00 0.00 H new ATOM 0 HZ1 LYS A 1 -13.366 1.149 -7.495 1.00 0.00 H new ATOM 0 HZ2 LYS A 1 -12.237 2.275 -8.080 1.00 0.00 H new ATOM 0 HZ3 LYS A 1 -11.729 0.717 -7.636 1.00 0.00 H new ATOM 25 N LYS A 2 -11.590 6.358 -9.501 1.00 0.00 N ATOM 26 CA LYS A 2 -12.332 6.111 -10.760 1.00 0.00 C ATOM 27 C LYS A 2 -11.523 6.567 -11.990 1.00 0.00 C ATOM 28 O LYS A 2 -11.806 7.601 -12.597 1.00 0.00 O ATOM 29 CB LYS A 2 -13.727 6.769 -10.654 1.00 0.00 C ATOM 30 CG LYS A 2 -14.716 6.228 -11.699 1.00 0.00 C ATOM 31 CD LYS A 2 -16.116 6.814 -11.458 1.00 0.00 C ATOM 32 CE LYS A 2 -17.164 6.315 -12.463 1.00 0.00 C ATOM 33 NZ LYS A 2 -16.901 6.799 -13.844 1.00 0.00 N ATOM 0 H LYS A 2 -10.916 7.119 -9.580 1.00 0.00 H new ATOM 0 HA LYS A 2 -12.480 5.041 -10.905 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -14.130 6.599 -9.656 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -13.627 7.847 -10.778 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -14.374 6.485 -12.701 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -14.755 5.140 -11.645 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -16.440 6.559 -10.449 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -16.061 7.901 -11.510 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -17.177 5.225 -12.459 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -18.153 6.647 -12.147 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -17.645 6.450 -14.482 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -16.898 7.839 -13.853 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -15.976 6.447 -14.165 1.00 0.00 H new ATOM 47 N LYS A 3 -10.479 5.798 -12.324 1.00 0.00 N ATOM 48 CA LYS A 3 -9.508 6.058 -13.411 1.00 0.00 C ATOM 49 C LYS A 3 -9.433 4.880 -14.386 1.00 0.00 C ATOM 50 O LYS A 3 -9.875 4.989 -15.531 1.00 0.00 O ATOM 51 CB LYS A 3 -8.120 6.380 -12.819 1.00 0.00 C ATOM 52 CG LYS A 3 -8.023 7.722 -12.077 1.00 0.00 C ATOM 53 CD LYS A 3 -8.059 8.944 -13.015 1.00 0.00 C ATOM 54 CE LYS A 3 -6.980 9.953 -12.595 1.00 0.00 C ATOM 55 NZ LYS A 3 -6.951 11.143 -13.483 1.00 0.00 N ATOM 0 H LYS A 3 -10.272 4.934 -11.823 1.00 0.00 H new ATOM 0 HA LYS A 3 -9.852 6.924 -13.977 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -7.841 5.581 -12.131 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -7.388 6.375 -13.626 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -8.845 7.795 -11.365 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -7.099 7.744 -11.500 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -7.894 8.628 -14.045 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -9.042 9.413 -12.979 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -7.162 10.272 -11.569 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -6.005 9.467 -12.609 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -6.208 11.797 -13.163 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -6.751 10.843 -14.459 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -7.873 11.623 -13.450 1.00 0.00 H new ATOM 69 N ASN A 4 -8.872 3.759 -13.932 1.00 0.00 N ATOM 70 CA ASN A 4 -8.770 2.502 -14.674 1.00 0.00 C ATOM 71 C ASN A 4 -8.696 1.314 -13.702 1.00 0.00 C ATOM 72 O ASN A 4 -8.026 1.401 -12.672 1.00 0.00 O ATOM 73 CB ASN A 4 -7.510 2.558 -15.566 1.00 0.00 C ATOM 74 CG ASN A 4 -7.809 2.139 -16.992 1.00 0.00 C ATOM 75 OD1 ASN A 4 -7.643 0.990 -17.374 1.00 0.00 O ATOM 76 ND2 ASN A 4 -8.288 3.053 -17.806 1.00 0.00 N ATOM 0 H ASN A 4 -8.460 3.699 -13.001 1.00 0.00 H new ATOM 0 HA ASN A 4 -9.653 2.366 -15.299 1.00 0.00 H new ATOM 0 HB2 ASN A 4 -7.107 3.571 -15.562 1.00 0.00 H new ATOM 0 HB3 ASN A 4 -6.741 1.907 -15.150 1.00 0.00 H new ATOM 0 HD21 ASN A 4 -8.525 2.806 -18.767 1.00 0.00 H new ATOM 0 HD22 ASN A 4 -8.423 4.009 -17.477 1.00 0.00 H new ATOM 83 N TRP A 5 -9.320 0.184 -14.042 1.00 0.00 N ATOM 84 CA TRP A 5 -9.243 -1.054 -13.249 1.00 0.00 C ATOM 85 C TRP A 5 -7.802 -1.584 -13.132 1.00 0.00 C ATOM 86 O TRP A 5 -7.414 -2.116 -12.091 1.00 0.00 O ATOM 87 CB TRP A 5 -10.164 -2.116 -13.866 1.00 0.00 C ATOM 88 CG TRP A 5 -9.708 -2.680 -15.181 1.00 0.00 C ATOM 89 CD1 TRP A 5 -9.807 -2.066 -16.385 1.00 0.00 C ATOM 90 CD2 TRP A 5 -9.047 -3.959 -15.437 1.00 0.00 C ATOM 91 NE1 TRP A 5 -9.234 -2.863 -17.358 1.00 0.00 N ATOM 92 CE2 TRP A 5 -8.755 -4.044 -16.832 1.00 0.00 C ATOM 93 CE3 TRP A 5 -8.662 -5.057 -14.634 1.00 0.00 C ATOM 94 CZ2 TRP A 5 -8.118 -5.156 -17.402 1.00 0.00 C ATOM 95 CZ3 TRP A 5 -8.028 -6.183 -15.197 1.00 0.00 C ATOM 96 CH2 TRP A 5 -7.755 -6.235 -16.576 1.00 0.00 C ATOM 0 H TRP A 5 -9.897 0.097 -14.879 1.00 0.00 H new ATOM 0 HA TRP A 5 -9.575 -0.826 -12.236 1.00 0.00 H new ATOM 0 HB2 TRP A 5 -10.271 -2.936 -13.156 1.00 0.00 H new ATOM 0 HB3 TRP A 5 -11.154 -1.680 -14.001 1.00 0.00 H new ATOM 0 HD1 TRP A 5 -10.263 -1.102 -16.558 1.00 0.00 H new ATOM 0 HE1 TRP A 5 -9.173 -2.609 -18.344 1.00 0.00 H new ATOM 0 HE3 TRP A 5 -8.857 -5.033 -13.572 1.00 0.00 H new ATOM 0 HZ2 TRP A 5 -7.909 -5.183 -18.461 1.00 0.00 H new ATOM 0 HZ3 TRP A 5 -7.749 -7.013 -14.564 1.00 0.00 H new ATOM 0 HH2 TRP A 5 -7.268 -7.101 -16.999 1.00 0.00 H new ATOM 107 N PHE A 6 -6.989 -1.396 -14.178 1.00 0.00 N ATOM 108 CA PHE A 6 -5.577 -1.786 -14.202 1.00 0.00 C ATOM 109 C PHE A 6 -4.684 -0.865 -13.345 1.00 0.00 C ATOM 110 O PHE A 6 -3.688 -1.319 -12.791 1.00 0.00 O ATOM 111 CB PHE A 6 -5.096 -1.838 -15.660 1.00 0.00 C ATOM 112 CG PHE A 6 -3.920 -2.774 -15.877 1.00 0.00 C ATOM 113 CD1 PHE A 6 -2.599 -2.327 -15.686 1.00 0.00 C ATOM 114 CD2 PHE A 6 -4.154 -4.112 -16.255 1.00 0.00 C ATOM 115 CE1 PHE A 6 -1.520 -3.212 -15.865 1.00 0.00 C ATOM 116 CE2 PHE A 6 -3.075 -4.995 -16.440 1.00 0.00 C ATOM 117 CZ PHE A 6 -1.758 -4.545 -16.243 1.00 0.00 C ATOM 0 H PHE A 6 -7.301 -0.961 -15.046 1.00 0.00 H new ATOM 0 HA PHE A 6 -5.491 -2.775 -13.752 1.00 0.00 H new ATOM 0 HB2 PHE A 6 -5.923 -2.153 -16.296 1.00 0.00 H new ATOM 0 HB3 PHE A 6 -4.814 -0.834 -15.977 1.00 0.00 H new ATOM 0 HD1 PHE A 6 -2.413 -1.302 -15.401 1.00 0.00 H new ATOM 0 HD2 PHE A 6 -5.166 -4.460 -16.403 1.00 0.00 H new ATOM 0 HE1 PHE A 6 -0.508 -2.867 -15.712 1.00 0.00 H new ATOM 0 HE2 PHE A 6 -3.258 -6.018 -16.733 1.00 0.00 H new ATOM 0 HZ PHE A 6 -0.929 -5.223 -16.382 1.00 0.00 H new ATOM 127 N ASP A 7 -5.044 0.412 -13.167 1.00 0.00 N ATOM 128 CA ASP A 7 -4.300 1.365 -12.322 1.00 0.00 C ATOM 129 C ASP A 7 -4.406 1.037 -10.816 1.00 0.00 C ATOM 130 O ASP A 7 -3.547 1.443 -10.030 1.00 0.00 O ATOM 131 CB ASP A 7 -4.765 2.808 -12.600 1.00 0.00 C ATOM 132 CG ASP A 7 -4.088 3.433 -13.835 1.00 0.00 C ATOM 133 OD1 ASP A 7 -4.140 2.841 -14.939 1.00 0.00 O ATOM 134 OD2 ASP A 7 -3.509 4.538 -13.707 1.00 0.00 O ATOM 0 H ASP A 7 -5.868 0.821 -13.608 1.00 0.00 H new ATOM 0 HA ASP A 7 -3.247 1.271 -12.589 1.00 0.00 H new ATOM 0 HB2 ASP A 7 -5.846 2.814 -12.743 1.00 0.00 H new ATOM 0 HB3 ASP A 7 -4.556 3.426 -11.727 1.00 0.00 H new ATOM 139 N ILE A 8 -5.409 0.253 -10.403 1.00 0.00 N ATOM 140 CA ILE A 8 -5.586 -0.225 -9.019 1.00 0.00 C ATOM 141 C ILE A 8 -4.412 -1.105 -8.546 1.00 0.00 C ATOM 142 O ILE A 8 -4.106 -1.136 -7.351 1.00 0.00 O ATOM 143 CB ILE A 8 -6.945 -0.953 -8.867 1.00 0.00 C ATOM 144 CG1 ILE A 8 -8.146 -0.115 -9.371 1.00 0.00 C ATOM 145 CG2 ILE A 8 -7.205 -1.387 -7.412 1.00 0.00 C ATOM 146 CD1 ILE A 8 -8.312 1.265 -8.721 1.00 0.00 C ATOM 0 H ILE A 8 -6.140 -0.077 -11.034 1.00 0.00 H new ATOM 0 HA ILE A 8 -5.591 0.649 -8.368 1.00 0.00 H new ATOM 0 HB ILE A 8 -6.864 -1.837 -9.499 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -8.045 0.020 -10.448 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -9.059 -0.687 -9.206 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -8.168 -1.893 -7.350 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -6.416 -2.066 -7.088 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -7.215 -0.509 -6.767 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -9.182 1.765 -9.147 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -8.451 1.147 -7.646 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -7.421 1.865 -8.908 1.00 0.00 H new ATOM 158 N THR A 9 -3.682 -1.766 -9.454 1.00 0.00 N ATOM 159 CA THR A 9 -2.478 -2.542 -9.097 1.00 0.00 C ATOM 160 C THR A 9 -1.373 -1.658 -8.496 1.00 0.00 C ATOM 161 O THR A 9 -0.622 -2.109 -7.629 1.00 0.00 O ATOM 162 CB THR A 9 -1.911 -3.333 -10.290 1.00 0.00 C ATOM 163 OG1 THR A 9 -1.368 -2.459 -11.254 1.00 0.00 O ATOM 164 CG2 THR A 9 -2.962 -4.217 -10.972 1.00 0.00 C ATOM 0 H THR A 9 -3.903 -1.781 -10.450 1.00 0.00 H new ATOM 0 HA THR A 9 -2.807 -3.253 -8.339 1.00 0.00 H new ATOM 0 HB THR A 9 -1.135 -3.979 -9.880 1.00 0.00 H new ATOM 0 HG1 THR A 9 -2.093 -2.064 -11.782 1.00 0.00 H new ATOM 0 HG21 THR A 9 -2.504 -4.750 -11.805 1.00 0.00 H new ATOM 0 HG22 THR A 9 -3.354 -4.936 -10.253 1.00 0.00 H new ATOM 0 HG23 THR A 9 -3.776 -3.594 -11.343 1.00 0.00 H new ATOM 172 N ASN A 10 -1.307 -0.379 -8.890 1.00 0.00 N ATOM 173 CA ASN A 10 -0.384 0.615 -8.344 1.00 0.00 C ATOM 174 C ASN A 10 -0.772 1.059 -6.918 1.00 0.00 C ATOM 175 O ASN A 10 0.105 1.277 -6.082 1.00 0.00 O ATOM 176 CB ASN A 10 -0.318 1.804 -9.319 1.00 0.00 C ATOM 177 CG ASN A 10 0.958 2.602 -9.133 1.00 0.00 C ATOM 178 OD1 ASN A 10 1.006 3.607 -8.437 1.00 0.00 O ATOM 179 ND2 ASN A 10 2.035 2.174 -9.753 1.00 0.00 N ATOM 0 H ASN A 10 -1.913 -0.001 -9.618 1.00 0.00 H new ATOM 0 HA ASN A 10 0.605 0.167 -8.247 1.00 0.00 H new ATOM 0 HB2 ASN A 10 -0.374 1.439 -10.345 1.00 0.00 H new ATOM 0 HB3 ASN A 10 -1.180 2.452 -9.163 1.00 0.00 H new ATOM 0 HD21 ASN A 10 2.915 2.680 -9.655 1.00 0.00 H new ATOM 0 HD22 ASN A 10 1.991 1.336 -10.332 1.00 0.00 H new ATOM 186 N TRP A 11 -2.073 1.151 -6.612 1.00 0.00 N ATOM 187 CA TRP A 11 -2.573 1.467 -5.264 1.00 0.00 C ATOM 188 C TRP A 11 -2.193 0.381 -4.249 1.00 0.00 C ATOM 189 O TRP A 11 -1.804 0.697 -3.122 1.00 0.00 O ATOM 190 CB TRP A 11 -4.096 1.664 -5.284 1.00 0.00 C ATOM 191 CG TRP A 11 -4.560 2.999 -5.779 1.00 0.00 C ATOM 192 CD1 TRP A 11 -4.806 3.334 -7.066 1.00 0.00 C ATOM 193 CD2 TRP A 11 -4.831 4.198 -4.989 1.00 0.00 C ATOM 194 NE1 TRP A 11 -5.226 4.651 -7.125 1.00 0.00 N ATOM 195 CE2 TRP A 11 -5.258 5.232 -5.873 1.00 0.00 C ATOM 196 CE3 TRP A 11 -4.753 4.515 -3.614 1.00 0.00 C ATOM 197 CZ2 TRP A 11 -5.598 6.515 -5.417 1.00 0.00 C ATOM 198 CZ3 TRP A 11 -5.088 5.802 -3.146 1.00 0.00 C ATOM 199 CH2 TRP A 11 -5.511 6.800 -4.043 1.00 0.00 C ATOM 0 H TRP A 11 -2.815 1.007 -7.297 1.00 0.00 H new ATOM 0 HA TRP A 11 -2.099 2.397 -4.951 1.00 0.00 H new ATOM 0 HB2 TRP A 11 -4.538 0.889 -5.910 1.00 0.00 H new ATOM 0 HB3 TRP A 11 -4.479 1.516 -4.274 1.00 0.00 H new ATOM 0 HD1 TRP A 11 -4.692 2.676 -7.915 1.00 0.00 H new ATOM 0 HE1 TRP A 11 -5.481 5.133 -7.987 1.00 0.00 H new ATOM 0 HE3 TRP A 11 -4.432 3.760 -2.911 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 -5.923 7.274 -6.113 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 -5.019 6.023 -2.091 1.00 0.00 H new ATOM 0 HH2 TRP A 11 -5.768 7.783 -3.677 1.00 0.00 H new ATOM 210 N LEU A 12 -2.240 -0.896 -4.654 1.00 0.00 N ATOM 211 CA LEU A 12 -1.807 -2.038 -3.837 1.00 0.00 C ATOM 212 C LEU A 12 -0.354 -1.872 -3.353 1.00 0.00 C ATOM 213 O LEU A 12 -0.047 -2.193 -2.206 1.00 0.00 O ATOM 214 CB LEU A 12 -2.024 -3.349 -4.621 1.00 0.00 C ATOM 215 CG LEU A 12 -2.487 -4.543 -3.758 1.00 0.00 C ATOM 216 CD1 LEU A 12 -2.711 -5.753 -4.665 1.00 0.00 C ATOM 217 CD2 LEU A 12 -1.502 -4.951 -2.661 1.00 0.00 C ATOM 0 H LEU A 12 -2.586 -1.169 -5.574 1.00 0.00 H new ATOM 0 HA LEU A 12 -2.418 -2.080 -2.935 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -2.764 -3.172 -5.401 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -1.093 -3.617 -5.120 1.00 0.00 H new ATOM 0 HG LEU A 12 -3.400 -4.217 -3.260 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -3.038 -6.602 -4.065 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -3.475 -5.516 -5.406 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -1.780 -6.005 -5.172 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -1.907 -5.796 -2.104 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -0.552 -5.236 -3.113 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -1.344 -4.112 -1.983 1.00 0.00 H new ATOM 229 N TRP A 13 0.524 -1.292 -4.180 1.00 0.00 N ATOM 230 CA TRP A 13 1.908 -0.983 -3.810 1.00 0.00 C ATOM 231 C TRP A 13 1.990 -0.125 -2.538 1.00 0.00 C ATOM 232 O TRP A 13 2.714 -0.485 -1.613 1.00 0.00 O ATOM 233 CB TRP A 13 2.642 -0.321 -4.987 1.00 0.00 C ATOM 234 CG TRP A 13 4.105 -0.625 -5.053 1.00 0.00 C ATOM 235 CD1 TRP A 13 4.625 -1.722 -5.647 1.00 0.00 C ATOM 236 CD2 TRP A 13 5.245 0.131 -4.530 1.00 0.00 C ATOM 237 NE1 TRP A 13 6.003 -1.705 -5.529 1.00 0.00 N ATOM 238 CE2 TRP A 13 6.438 -0.588 -4.848 1.00 0.00 C ATOM 239 CE3 TRP A 13 5.400 1.349 -3.828 1.00 0.00 C ATOM 240 CZ2 TRP A 13 7.714 -0.132 -4.485 1.00 0.00 C ATOM 241 CZ3 TRP A 13 6.680 1.822 -3.471 1.00 0.00 C ATOM 242 CH2 TRP A 13 7.834 1.084 -3.790 1.00 0.00 C ATOM 0 H TRP A 13 0.290 -1.022 -5.135 1.00 0.00 H new ATOM 0 HA TRP A 13 2.408 -1.924 -3.580 1.00 0.00 H new ATOM 0 HB2 TRP A 13 2.174 -0.642 -5.918 1.00 0.00 H new ATOM 0 HB3 TRP A 13 2.510 0.759 -4.920 1.00 0.00 H new ATOM 0 HD1 TRP A 13 4.052 -2.494 -6.139 1.00 0.00 H new ATOM 0 HE1 TRP A 13 6.620 -2.428 -5.899 1.00 0.00 H new ATOM 0 HE3 TRP A 13 4.526 1.925 -3.562 1.00 0.00 H new ATOM 0 HZ2 TRP A 13 8.593 -0.708 -4.736 1.00 0.00 H new ATOM 0 HZ3 TRP A 13 6.775 2.761 -2.947 1.00 0.00 H new ATOM 0 HH2 TRP A 13 8.808 1.450 -3.502 1.00 0.00 H new ATOM 253 N TYR A 14 1.208 0.962 -2.446 1.00 0.00 N ATOM 254 CA TYR A 14 1.135 1.810 -1.247 1.00 0.00 C ATOM 255 C TYR A 14 0.540 1.060 -0.045 1.00 0.00 C ATOM 256 O TYR A 14 1.071 1.147 1.063 1.00 0.00 O ATOM 257 CB TYR A 14 0.329 3.086 -1.539 1.00 0.00 C ATOM 258 CG TYR A 14 0.269 4.048 -0.361 1.00 0.00 C ATOM 259 CD1 TYR A 14 1.275 5.021 -0.192 1.00 0.00 C ATOM 260 CD2 TYR A 14 -0.774 3.949 0.583 1.00 0.00 C ATOM 261 CE1 TYR A 14 1.239 5.895 0.913 1.00 0.00 C ATOM 262 CE2 TYR A 14 -0.806 4.814 1.695 1.00 0.00 C ATOM 263 CZ TYR A 14 0.198 5.791 1.864 1.00 0.00 C ATOM 264 OH TYR A 14 0.154 6.628 2.937 1.00 0.00 O ATOM 0 H TYR A 14 0.606 1.279 -3.206 1.00 0.00 H new ATOM 0 HA TYR A 14 2.155 2.088 -0.983 1.00 0.00 H new ATOM 0 HB2 TYR A 14 0.771 3.598 -2.394 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -0.686 2.808 -1.823 1.00 0.00 H new ATOM 0 HD1 TYR A 14 2.076 5.097 -0.912 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -1.550 3.209 0.453 1.00 0.00 H new ATOM 0 HE1 TYR A 14 2.007 6.645 1.033 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -1.602 4.729 2.420 1.00 0.00 H new ATOM 0 HH TYR A 14 -0.630 6.415 3.486 1.00 0.00 H new ATOM 274 N ILE A 15 -0.542 0.299 -0.258 1.00 0.00 N ATOM 275 CA ILE A 15 -1.202 -0.503 0.785 1.00 0.00 C ATOM 276 C ILE A 15 -0.200 -1.476 1.436 1.00 0.00 C ATOM 277 O ILE A 15 -0.007 -1.439 2.651 1.00 0.00 O ATOM 278 CB ILE A 15 -2.450 -1.226 0.221 1.00 0.00 C ATOM 279 CG1 ILE A 15 -3.532 -0.224 -0.259 1.00 0.00 C ATOM 280 CG2 ILE A 15 -3.067 -2.137 1.301 1.00 0.00 C ATOM 281 CD1 ILE A 15 -4.484 -0.812 -1.311 1.00 0.00 C ATOM 0 H ILE A 15 -0.990 0.221 -1.171 1.00 0.00 H new ATOM 0 HA ILE A 15 -1.556 0.165 1.570 1.00 0.00 H new ATOM 0 HB ILE A 15 -2.120 -1.817 -0.633 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -4.114 0.110 0.600 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -3.042 0.657 -0.675 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -3.944 -2.641 0.894 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -2.333 -2.880 1.613 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -3.361 -1.535 2.161 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -5.215 -0.058 -1.602 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -3.913 -1.121 -2.186 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -5.001 -1.675 -0.892 1.00 0.00 H new ATOM 293 N LYS A 16 0.475 -2.318 0.642 1.00 0.00 N ATOM 294 CA LYS A 16 1.480 -3.294 1.113 1.00 0.00 C ATOM 295 C LYS A 16 2.722 -2.615 1.711 1.00 0.00 C ATOM 296 O LYS A 16 3.254 -3.089 2.717 1.00 0.00 O ATOM 297 CB LYS A 16 1.835 -4.254 -0.041 1.00 0.00 C ATOM 298 CG LYS A 16 1.790 -5.741 0.343 1.00 0.00 C ATOM 299 CD LYS A 16 2.876 -6.181 1.337 1.00 0.00 C ATOM 300 CE LYS A 16 2.960 -7.717 1.350 1.00 0.00 C ATOM 301 NZ LYS A 16 2.964 -8.282 2.725 1.00 0.00 N ATOM 0 H LYS A 16 0.338 -2.344 -0.368 1.00 0.00 H new ATOM 0 HA LYS A 16 1.048 -3.872 1.930 1.00 0.00 H new ATOM 0 HB2 LYS A 16 1.145 -4.082 -0.867 1.00 0.00 H new ATOM 0 HB3 LYS A 16 2.834 -4.014 -0.405 1.00 0.00 H new ATOM 0 HG2 LYS A 16 0.813 -5.962 0.772 1.00 0.00 H new ATOM 0 HG3 LYS A 16 1.882 -6.339 -0.563 1.00 0.00 H new ATOM 0 HD2 LYS A 16 3.839 -5.755 1.054 1.00 0.00 H new ATOM 0 HD3 LYS A 16 2.644 -5.809 2.335 1.00 0.00 H new ATOM 0 HE2 LYS A 16 2.116 -8.127 0.796 1.00 0.00 H new ATOM 0 HE3 LYS A 16 3.865 -8.031 0.830 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 3.022 -9.319 2.674 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 3.784 -7.915 3.249 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 2.089 -8.008 3.216 1.00 0.00 H new ATOM 315 N LEU A 17 3.163 -1.492 1.134 1.00 0.00 N ATOM 316 CA LEU A 17 4.272 -0.667 1.634 1.00 0.00 C ATOM 317 C LEU A 17 3.990 -0.167 3.062 1.00 0.00 C ATOM 318 O LEU A 17 4.863 -0.239 3.926 1.00 0.00 O ATOM 319 CB LEU A 17 4.512 0.500 0.659 1.00 0.00 C ATOM 320 CG LEU A 17 5.531 1.556 1.117 1.00 0.00 C ATOM 321 CD1 LEU A 17 6.942 0.976 1.225 1.00 0.00 C ATOM 322 CD2 LEU A 17 5.547 2.711 0.120 1.00 0.00 C ATOM 0 H LEU A 17 2.747 -1.120 0.281 1.00 0.00 H new ATOM 0 HA LEU A 17 5.178 -1.271 1.687 1.00 0.00 H new ATOM 0 HB2 LEU A 17 4.846 0.090 -0.294 1.00 0.00 H new ATOM 0 HB3 LEU A 17 3.559 0.997 0.476 1.00 0.00 H new ATOM 0 HG LEU A 17 5.228 1.903 2.105 1.00 0.00 H new ATOM 0 HD11 LEU A 17 7.631 1.755 1.551 1.00 0.00 H new ATOM 0 HD12 LEU A 17 6.946 0.161 1.949 1.00 0.00 H new ATOM 0 HD13 LEU A 17 7.256 0.598 0.252 1.00 0.00 H new ATOM 0 HD21 LEU A 17 6.269 3.461 0.443 1.00 0.00 H new ATOM 0 HD22 LEU A 17 5.828 2.338 -0.865 1.00 0.00 H new ATOM 0 HD23 LEU A 17 4.555 3.161 0.068 1.00 0.00 H new ATOM 334 N PHE A 18 2.768 0.300 3.336 1.00 0.00 N ATOM 335 CA PHE A 18 2.362 0.708 4.681 1.00 0.00 C ATOM 336 C PHE A 18 2.561 -0.434 5.694 1.00 0.00 C ATOM 337 O PHE A 18 3.142 -0.222 6.756 1.00 0.00 O ATOM 338 CB PHE A 18 0.913 1.218 4.655 1.00 0.00 C ATOM 339 CG PHE A 18 0.537 2.021 5.884 1.00 0.00 C ATOM 340 CD1 PHE A 18 0.799 3.406 5.920 1.00 0.00 C ATOM 341 CD2 PHE A 18 -0.053 1.393 6.998 1.00 0.00 C ATOM 342 CE1 PHE A 18 0.475 4.158 7.062 1.00 0.00 C ATOM 343 CE2 PHE A 18 -0.386 2.150 8.138 1.00 0.00 C ATOM 344 CZ PHE A 18 -0.117 3.530 8.172 1.00 0.00 C ATOM 0 H PHE A 18 2.036 0.405 2.633 1.00 0.00 H new ATOM 0 HA PHE A 18 3.000 1.527 5.012 1.00 0.00 H new ATOM 0 HB2 PHE A 18 0.768 1.835 3.768 1.00 0.00 H new ATOM 0 HB3 PHE A 18 0.237 0.367 4.565 1.00 0.00 H new ATOM 0 HD1 PHE A 18 1.250 3.891 5.067 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -0.250 0.331 6.978 1.00 0.00 H new ATOM 0 HE1 PHE A 18 0.681 5.218 7.087 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -0.849 1.670 8.988 1.00 0.00 H new ATOM 0 HZ PHE A 18 -0.365 4.107 9.050 1.00 0.00 H new ATOM 354 N ILE A 19 2.157 -1.664 5.346 1.00 0.00 N ATOM 355 CA ILE A 19 2.309 -2.851 6.208 1.00 0.00 C ATOM 356 C ILE A 19 3.785 -3.154 6.507 1.00 0.00 C ATOM 357 O ILE A 19 4.140 -3.303 7.676 1.00 0.00 O ATOM 358 CB ILE A 19 1.600 -4.099 5.630 1.00 0.00 C ATOM 359 CG1 ILE A 19 0.128 -3.830 5.250 1.00 0.00 C ATOM 360 CG2 ILE A 19 1.653 -5.232 6.673 1.00 0.00 C ATOM 361 CD1 ILE A 19 -0.512 -4.960 4.428 1.00 0.00 C ATOM 0 H ILE A 19 1.711 -1.868 4.451 1.00 0.00 H new ATOM 0 HA ILE A 19 1.816 -2.606 7.149 1.00 0.00 H new ATOM 0 HB ILE A 19 2.124 -4.378 4.716 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -0.452 -3.681 6.161 1.00 0.00 H new ATOM 0 HG13 ILE A 19 0.072 -2.902 4.681 1.00 0.00 H new ATOM 0 HG21 ILE A 19 1.156 -6.116 6.275 1.00 0.00 H new ATOM 0 HG22 ILE A 19 2.692 -5.471 6.898 1.00 0.00 H new ATOM 0 HG23 ILE A 19 1.148 -4.911 7.584 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -1.546 -4.702 4.198 1.00 0.00 H new ATOM 0 HD12 ILE A 19 0.044 -5.095 3.500 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -0.489 -5.886 5.003 1.00 0.00 H new ATOM 373 N MET A 20 4.660 -3.237 5.492 1.00 0.00 N ATOM 374 CA MET A 20 6.091 -3.529 5.710 1.00 0.00 C ATOM 375 C MET A 20 6.794 -2.472 6.585 1.00 0.00 C ATOM 376 O MET A 20 7.676 -2.819 7.373 1.00 0.00 O ATOM 377 CB MET A 20 6.841 -3.766 4.383 1.00 0.00 C ATOM 378 CG MET A 20 6.922 -2.527 3.496 1.00 0.00 C ATOM 379 SD MET A 20 7.867 -2.678 1.954 1.00 0.00 S ATOM 380 CE MET A 20 6.839 -3.861 1.042 1.00 0.00 C ATOM 0 H MET A 20 4.405 -3.107 4.513 1.00 0.00 H new ATOM 0 HA MET A 20 6.125 -4.462 6.273 1.00 0.00 H new ATOM 0 HB2 MET A 20 7.851 -4.111 4.603 1.00 0.00 H new ATOM 0 HB3 MET A 20 6.344 -4.565 3.832 1.00 0.00 H new ATOM 0 HG2 MET A 20 5.906 -2.225 3.242 1.00 0.00 H new ATOM 0 HG3 MET A 20 7.358 -1.718 4.083 1.00 0.00 H new ATOM 0 HE1 MET A 20 7.249 -4.004 0.042 1.00 0.00 H new ATOM 0 HE2 MET A 20 6.827 -4.815 1.569 1.00 0.00 H new ATOM 0 HE3 MET A 20 5.822 -3.476 0.966 1.00 0.00 H new ATOM 390 N ILE A 21 6.386 -1.196 6.492 1.00 0.00 N ATOM 391 CA ILE A 21 6.895 -0.107 7.340 1.00 0.00 C ATOM 392 C ILE A 21 6.385 -0.270 8.782 1.00 0.00 C ATOM 393 O ILE A 21 7.184 -0.353 9.717 1.00 0.00 O ATOM 394 CB ILE A 21 6.506 1.270 6.748 1.00 0.00 C ATOM 395 CG1 ILE A 21 7.199 1.530 5.392 1.00 0.00 C ATOM 396 CG2 ILE A 21 6.874 2.387 7.740 1.00 0.00 C ATOM 397 CD1 ILE A 21 6.514 2.647 4.590 1.00 0.00 C ATOM 0 H ILE A 21 5.685 -0.889 5.818 1.00 0.00 H new ATOM 0 HA ILE A 21 7.984 -0.157 7.365 1.00 0.00 H new ATOM 0 HB ILE A 21 5.430 1.264 6.577 1.00 0.00 H new ATOM 0 HG12 ILE A 21 8.241 1.797 5.565 1.00 0.00 H new ATOM 0 HG13 ILE A 21 7.199 0.612 4.805 1.00 0.00 H new ATOM 0 HG21 ILE A 21 6.598 3.354 7.318 1.00 0.00 H new ATOM 0 HG22 ILE A 21 6.338 2.233 8.676 1.00 0.00 H new ATOM 0 HG23 ILE A 21 7.947 2.367 7.929 1.00 0.00 H new ATOM 0 HD11 ILE A 21 7.039 2.791 3.646 1.00 0.00 H new ATOM 0 HD12 ILE A 21 5.479 2.370 4.391 1.00 0.00 H new ATOM 0 HD13 ILE A 21 6.538 3.574 5.163 1.00 0.00 H new ATOM 409 N VAL A 22 5.065 -0.381 8.978 1.00 0.00 N ATOM 410 CA VAL A 22 4.438 -0.567 10.302 1.00 0.00 C ATOM 411 C VAL A 22 4.954 -1.825 10.994 1.00 0.00 C ATOM 412 O VAL A 22 5.174 -1.791 12.198 1.00 0.00 O ATOM 413 CB VAL A 22 2.905 -0.605 10.201 1.00 0.00 C ATOM 414 CG1 VAL A 22 2.198 -0.862 11.538 1.00 0.00 C ATOM 415 CG2 VAL A 22 2.364 0.745 9.714 1.00 0.00 C ATOM 0 H VAL A 22 4.390 -0.344 8.214 1.00 0.00 H new ATOM 0 HA VAL A 22 4.718 0.295 10.908 1.00 0.00 H new ATOM 0 HB VAL A 22 2.701 -1.425 9.512 1.00 0.00 H new ATOM 0 HG11 VAL A 22 1.119 -0.874 11.383 1.00 0.00 H new ATOM 0 HG12 VAL A 22 2.518 -1.824 11.940 1.00 0.00 H new ATOM 0 HG13 VAL A 22 2.454 -0.071 12.243 1.00 0.00 H new ATOM 0 HG21 VAL A 22 1.277 0.699 9.649 1.00 0.00 H new ATOM 0 HG22 VAL A 22 2.653 1.527 10.416 1.00 0.00 H new ATOM 0 HG23 VAL A 22 2.777 0.969 8.731 1.00 0.00 H new ATOM 425 N GLY A 23 5.253 -2.899 10.257 1.00 0.00 N ATOM 426 CA GLY A 23 5.827 -4.131 10.805 1.00 0.00 C ATOM 427 C GLY A 23 7.133 -3.928 11.598 1.00 0.00 C ATOM 428 O GLY A 23 7.454 -4.739 12.470 1.00 0.00 O ATOM 0 H GLY A 23 5.101 -2.937 9.249 1.00 0.00 H new ATOM 0 HA2 GLY A 23 5.091 -4.602 11.456 1.00 0.00 H new ATOM 0 HA3 GLY A 23 6.018 -4.824 9.986 1.00 0.00 H new ATOM 432 N GLY A 24 7.869 -2.841 11.326 1.00 0.00 N ATOM 433 CA GLY A 24 9.087 -2.428 12.034 1.00 0.00 C ATOM 434 C GLY A 24 8.916 -1.167 12.902 1.00 0.00 C ATOM 435 O GLY A 24 9.702 -0.969 13.826 1.00 0.00 O ATOM 0 H GLY A 24 7.620 -2.199 10.574 1.00 0.00 H new ATOM 0 HA2 GLY A 24 9.421 -3.249 12.668 1.00 0.00 H new ATOM 0 HA3 GLY A 24 9.875 -2.248 11.303 1.00 0.00 H new ATOM 439 N LEU A 25 7.897 -0.328 12.656 1.00 0.00 N ATOM 440 CA LEU A 25 7.599 0.877 13.454 1.00 0.00 C ATOM 441 C LEU A 25 6.601 0.646 14.607 1.00 0.00 C ATOM 442 O LEU A 25 6.616 1.400 15.578 1.00 0.00 O ATOM 443 CB LEU A 25 7.080 2.008 12.544 1.00 0.00 C ATOM 444 CG LEU A 25 8.069 2.554 11.495 1.00 0.00 C ATOM 445 CD1 LEU A 25 7.449 3.780 10.825 1.00 0.00 C ATOM 446 CD2 LEU A 25 9.404 2.994 12.092 1.00 0.00 C ATOM 0 H LEU A 25 7.245 -0.468 11.884 1.00 0.00 H new ATOM 0 HA LEU A 25 8.544 1.158 13.918 1.00 0.00 H new ATOM 0 HB2 LEU A 25 6.194 1.647 12.022 1.00 0.00 H new ATOM 0 HB3 LEU A 25 6.762 2.836 13.177 1.00 0.00 H new ATOM 0 HG LEU A 25 8.260 1.740 10.795 1.00 0.00 H new ATOM 0 HD11 LEU A 25 8.140 4.176 10.080 1.00 0.00 H new ATOM 0 HD12 LEU A 25 6.515 3.496 10.340 1.00 0.00 H new ATOM 0 HD13 LEU A 25 7.249 4.544 11.577 1.00 0.00 H new ATOM 0 HD21 LEU A 25 10.052 3.367 11.299 1.00 0.00 H new ATOM 0 HD22 LEU A 25 9.233 3.784 12.823 1.00 0.00 H new ATOM 0 HD23 LEU A 25 9.881 2.145 12.581 1.00 0.00 H new ATOM 458 N VAL A 26 5.759 -0.392 14.550 1.00 0.00 N ATOM 459 CA VAL A 26 4.774 -0.736 15.600 1.00 0.00 C ATOM 460 C VAL A 26 5.443 -1.106 16.932 1.00 0.00 C ATOM 461 O VAL A 26 4.901 -0.833 18.006 1.00 0.00 O ATOM 462 CB VAL A 26 3.827 -1.853 15.106 1.00 0.00 C ATOM 463 CG1 VAL A 26 4.496 -3.229 14.961 1.00 0.00 C ATOM 464 CG2 VAL A 26 2.590 -2.005 15.995 1.00 0.00 C ATOM 0 H VAL A 26 5.737 -1.035 13.758 1.00 0.00 H new ATOM 0 HA VAL A 26 4.179 0.156 15.797 1.00 0.00 H new ATOM 0 HB VAL A 26 3.531 -1.518 14.112 1.00 0.00 H new ATOM 0 HG11 VAL A 26 3.763 -3.955 14.610 1.00 0.00 H new ATOM 0 HG12 VAL A 26 5.313 -3.162 14.243 1.00 0.00 H new ATOM 0 HG13 VAL A 26 4.888 -3.547 15.927 1.00 0.00 H new ATOM 0 HG21 VAL A 26 1.957 -2.802 15.605 1.00 0.00 H new ATOM 0 HG22 VAL A 26 2.900 -2.252 17.011 1.00 0.00 H new ATOM 0 HG23 VAL A 26 2.031 -1.069 16.003 1.00 0.00 H new ATOM 474 N LYS A 27 6.645 -1.694 16.861 1.00 0.00 N ATOM 475 CA LYS A 27 7.469 -2.111 18.007 1.00 0.00 C ATOM 476 C LYS A 27 8.355 -0.993 18.589 1.00 0.00 C ATOM 477 O LYS A 27 8.730 -1.078 19.761 1.00 0.00 O ATOM 478 CB LYS A 27 8.309 -3.329 17.582 1.00 0.00 C ATOM 479 CG LYS A 27 9.532 -2.935 16.732 1.00 0.00 C ATOM 480 CD LYS A 27 10.024 -4.030 15.786 1.00 0.00 C ATOM 481 CE LYS A 27 10.352 -5.353 16.500 1.00 0.00 C ATOM 482 NZ LYS A 27 9.537 -6.486 15.984 1.00 0.00 N ATOM 0 H LYS A 27 7.090 -1.901 15.967 1.00 0.00 H new ATOM 0 HA LYS A 27 6.794 -2.373 18.822 1.00 0.00 H new ATOM 0 HB2 LYS A 27 8.645 -3.862 18.471 1.00 0.00 H new ATOM 0 HB3 LYS A 27 7.683 -4.018 17.015 1.00 0.00 H new ATOM 0 HG2 LYS A 27 9.282 -2.051 16.146 1.00 0.00 H new ATOM 0 HG3 LYS A 27 10.347 -2.655 17.399 1.00 0.00 H new ATOM 0 HD2 LYS A 27 9.263 -4.214 15.028 1.00 0.00 H new ATOM 0 HD3 LYS A 27 10.914 -3.677 15.265 1.00 0.00 H new ATOM 0 HE2 LYS A 27 11.410 -5.581 16.372 1.00 0.00 H new ATOM 0 HE3 LYS A 27 10.178 -5.240 17.570 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 9.791 -7.357 16.493 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 8.528 -6.282 16.129 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 9.722 -6.612 14.968 1.00 0.00 H new ATOM 496 N LYS A 28 8.709 0.021 17.780 1.00 0.00 N ATOM 497 CA LYS A 28 9.578 1.152 18.167 1.00 0.00 C ATOM 498 C LYS A 28 8.988 1.968 19.332 1.00 0.00 C ATOM 499 O LYS A 28 7.799 2.356 19.269 1.00 0.00 O ATOM 500 CB LYS A 28 9.888 2.071 16.966 1.00 0.00 C ATOM 501 CG LYS A 28 11.062 1.564 16.113 1.00 0.00 C ATOM 502 CD LYS A 28 11.470 2.569 15.017 1.00 0.00 C ATOM 503 CE LYS A 28 12.742 3.380 15.320 1.00 0.00 C ATOM 504 NZ LYS A 28 12.615 4.258 16.515 1.00 0.00 N ATOM 505 OXT LYS A 28 9.738 2.239 20.298 1.00 0.00 O ATOM 0 H LYS A 28 8.391 0.080 16.813 1.00 0.00 H new ATOM 0 HA LYS A 28 10.515 0.714 18.512 1.00 0.00 H new ATOM 0 HB2 LYS A 28 9.000 2.154 16.340 1.00 0.00 H new ATOM 0 HB3 LYS A 28 10.116 3.073 17.331 1.00 0.00 H new ATOM 0 HG2 LYS A 28 11.918 1.367 16.758 1.00 0.00 H new ATOM 0 HG3 LYS A 28 10.788 0.616 15.649 1.00 0.00 H new ATOM 0 HD2 LYS A 28 11.617 2.026 14.084 1.00 0.00 H new ATOM 0 HD3 LYS A 28 10.645 3.263 14.856 1.00 0.00 H new ATOM 0 HE2 LYS A 28 13.574 2.693 15.471 1.00 0.00 H new ATOM 0 HE3 LYS A 28 12.988 3.993 14.453 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 13.505 4.775 16.662 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 11.841 4.937 16.366 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 12.410 3.677 17.353 1.00 0.00 H new TER 519 LYS A 28