USER MOD reduce.3.24.130724 H: found=0, std=0, add=270, rem=0, adj=3 USER MOD reduce.3.24.130724 removed 270 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 LYS N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 ASN : amide:sc= 0 X(o=0,f=-0.046) USER MOD Single : A 9 THR OG1 : rot -61:sc= 0.187 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 173:sc= 0 (180deg=-0.0859) 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 -10.750 9.015 -10.988 1.00 0.00 N ATOM 2 CA LYS A 1 -9.791 8.285 -11.869 1.00 0.00 C ATOM 3 C LYS A 1 -9.991 6.756 -11.758 1.00 0.00 C ATOM 4 O LYS A 1 -9.101 6.027 -11.314 1.00 0.00 O ATOM 5 CB LYS A 1 -8.335 8.749 -11.579 1.00 0.00 C ATOM 6 CG LYS A 1 -7.335 8.390 -12.697 1.00 0.00 C ATOM 7 CD LYS A 1 -5.859 8.520 -12.270 1.00 0.00 C ATOM 8 CE LYS A 1 -5.249 9.896 -12.574 1.00 0.00 C ATOM 9 NZ LYS A 1 -3.794 9.917 -12.264 1.00 0.00 N ATOM 0 H1 LYS A 1 -10.596 10.039 -11.080 1.00 0.00 H new ATOM 0 H2 LYS A 1 -11.724 8.785 -11.270 1.00 0.00 H new ATOM 0 H3 LYS A 1 -10.599 8.730 -9.999 1.00 0.00 H new ATOM 0 HA LYS A 1 -9.993 8.533 -12.911 1.00 0.00 H new ATOM 0 HB2 LYS A 1 -8.330 9.829 -11.432 1.00 0.00 H new ATOM 0 HB3 LYS A 1 -7.999 8.299 -10.645 1.00 0.00 H new ATOM 0 HG2 LYS A 1 -7.521 7.367 -13.025 1.00 0.00 H new ATOM 0 HG3 LYS A 1 -7.515 9.037 -13.555 1.00 0.00 H new ATOM 0 HD2 LYS A 1 -5.781 8.326 -11.200 1.00 0.00 H new ATOM 0 HD3 LYS A 1 -5.274 7.753 -12.777 1.00 0.00 H new ATOM 0 HE2 LYS A 1 -5.404 10.142 -13.625 1.00 0.00 H new ATOM 0 HE3 LYS A 1 -5.760 10.661 -11.989 1.00 0.00 H new ATOM 0 HZ1 LYS A 1 -3.407 10.858 -12.478 1.00 0.00 H new ATOM 0 HZ2 LYS A 1 -3.651 9.705 -11.256 1.00 0.00 H new ATOM 0 HZ3 LYS A 1 -3.306 9.202 -12.841 1.00 0.00 H new ATOM 25 N LYS A 2 -11.172 6.246 -12.155 1.00 0.00 N ATOM 26 CA LYS A 2 -11.538 4.811 -12.149 1.00 0.00 C ATOM 27 C LYS A 2 -11.699 4.287 -13.581 1.00 0.00 C ATOM 28 O LYS A 2 -12.594 4.731 -14.304 1.00 0.00 O ATOM 29 CB LYS A 2 -12.814 4.563 -11.316 1.00 0.00 C ATOM 30 CG LYS A 2 -12.579 4.763 -9.809 1.00 0.00 C ATOM 31 CD LYS A 2 -13.723 4.158 -8.980 1.00 0.00 C ATOM 32 CE LYS A 2 -13.377 4.192 -7.485 1.00 0.00 C ATOM 33 NZ LYS A 2 -14.271 3.305 -6.694 1.00 0.00 N ATOM 0 H LYS A 2 -11.926 6.840 -12.501 1.00 0.00 H new ATOM 0 HA LYS A 2 -10.726 4.258 -11.677 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -13.600 5.239 -11.651 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -13.169 3.548 -11.494 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -11.635 4.300 -9.522 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -12.492 5.827 -9.590 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -14.644 4.713 -9.159 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -13.904 3.130 -9.294 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -12.341 3.884 -7.344 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -13.459 5.214 -7.116 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -14.008 3.354 -5.689 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -15.257 3.614 -6.809 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -14.174 2.326 -7.030 1.00 0.00 H new ATOM 47 N LYS A 3 -10.814 3.369 -13.991 1.00 0.00 N ATOM 48 CA LYS A 3 -10.722 2.813 -15.357 1.00 0.00 C ATOM 49 C LYS A 3 -10.744 1.280 -15.368 1.00 0.00 C ATOM 50 O LYS A 3 -11.703 0.687 -15.861 1.00 0.00 O ATOM 51 CB LYS A 3 -9.504 3.433 -16.090 1.00 0.00 C ATOM 52 CG LYS A 3 -9.924 4.181 -17.365 1.00 0.00 C ATOM 53 CD LYS A 3 -10.220 3.228 -18.539 1.00 0.00 C ATOM 54 CE LYS A 3 -11.285 3.774 -19.501 1.00 0.00 C ATOM 55 NZ LYS A 3 -10.888 5.057 -20.141 1.00 0.00 N ATOM 0 H LYS A 3 -10.115 2.976 -13.361 1.00 0.00 H new ATOM 0 HA LYS A 3 -11.614 3.095 -15.917 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -8.987 4.120 -15.419 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -8.796 2.646 -16.347 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -10.810 4.780 -17.155 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -9.133 4.873 -17.654 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -9.299 3.044 -19.092 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -10.552 2.267 -18.145 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -11.480 3.033 -20.276 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -12.218 3.919 -18.957 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -11.645 5.376 -20.778 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -10.728 5.776 -19.407 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -10.013 4.917 -20.686 1.00 0.00 H new ATOM 69 N ASN A 4 -9.710 0.643 -14.815 1.00 0.00 N ATOM 70 CA ASN A 4 -9.573 -0.812 -14.661 1.00 0.00 C ATOM 71 C ASN A 4 -8.759 -1.164 -13.401 1.00 0.00 C ATOM 72 O ASN A 4 -8.221 -0.282 -12.725 1.00 0.00 O ATOM 73 CB ASN A 4 -8.929 -1.390 -15.945 1.00 0.00 C ATOM 74 CG ASN A 4 -9.968 -1.870 -16.945 1.00 0.00 C ATOM 75 OD1 ASN A 4 -10.771 -2.750 -16.661 1.00 0.00 O ATOM 76 ND2 ASN A 4 -9.976 -1.348 -18.151 1.00 0.00 N ATOM 0 H ASN A 4 -8.906 1.149 -14.444 1.00 0.00 H new ATOM 0 HA ASN A 4 -10.557 -1.261 -14.527 1.00 0.00 H new ATOM 0 HB2 ASN A 4 -8.305 -0.627 -16.411 1.00 0.00 H new ATOM 0 HB3 ASN A 4 -8.274 -2.219 -15.679 1.00 0.00 H new ATOM 0 HD21 ASN A 4 -10.648 -1.676 -18.844 1.00 0.00 H new ATOM 0 HD22 ASN A 4 -9.310 -0.615 -18.394 1.00 0.00 H new ATOM 83 N TRP A 5 -8.618 -2.463 -13.109 1.00 0.00 N ATOM 84 CA TRP A 5 -7.794 -3.002 -12.013 1.00 0.00 C ATOM 85 C TRP A 5 -6.348 -2.477 -12.022 1.00 0.00 C ATOM 86 O TRP A 5 -5.753 -2.309 -10.958 1.00 0.00 O ATOM 87 CB TRP A 5 -7.816 -4.539 -12.072 1.00 0.00 C ATOM 88 CG TRP A 5 -7.203 -5.138 -13.306 1.00 0.00 C ATOM 89 CD1 TRP A 5 -7.877 -5.516 -14.417 1.00 0.00 C ATOM 90 CD2 TRP A 5 -5.791 -5.402 -13.583 1.00 0.00 C ATOM 91 NE1 TRP A 5 -6.980 -5.968 -15.368 1.00 0.00 N ATOM 92 CE2 TRP A 5 -5.679 -5.899 -14.915 1.00 0.00 C ATOM 93 CE3 TRP A 5 -4.591 -5.249 -12.853 1.00 0.00 C ATOM 94 CZ2 TRP A 5 -4.442 -6.207 -15.502 1.00 0.00 C ATOM 95 CZ3 TRP A 5 -3.343 -5.551 -13.432 1.00 0.00 C ATOM 96 CH2 TRP A 5 -3.266 -6.025 -14.755 1.00 0.00 C ATOM 0 H TRP A 5 -9.088 -3.193 -13.644 1.00 0.00 H new ATOM 0 HA TRP A 5 -8.230 -2.655 -11.076 1.00 0.00 H new ATOM 0 HB2 TRP A 5 -7.292 -4.928 -11.199 1.00 0.00 H new ATOM 0 HB3 TRP A 5 -8.850 -4.875 -11.999 1.00 0.00 H new ATOM 0 HD1 TRP A 5 -8.949 -5.472 -14.542 1.00 0.00 H new ATOM 0 HE1 TRP A 5 -7.248 -6.310 -16.291 1.00 0.00 H new ATOM 0 HE3 TRP A 5 -4.631 -4.894 -11.834 1.00 0.00 H new ATOM 0 HZ2 TRP A 5 -4.395 -6.579 -16.515 1.00 0.00 H new ATOM 0 HZ3 TRP A 5 -2.439 -5.418 -12.857 1.00 0.00 H new ATOM 0 HH2 TRP A 5 -2.305 -6.248 -15.195 1.00 0.00 H new ATOM 107 N PHE A 6 -5.802 -2.150 -13.200 1.00 0.00 N ATOM 108 CA PHE A 6 -4.481 -1.540 -13.387 1.00 0.00 C ATOM 109 C PHE A 6 -4.315 -0.225 -12.600 1.00 0.00 C ATOM 110 O PHE A 6 -3.233 0.063 -12.091 1.00 0.00 O ATOM 111 CB PHE A 6 -4.252 -1.322 -14.892 1.00 0.00 C ATOM 112 CG PHE A 6 -2.926 -0.661 -15.229 1.00 0.00 C ATOM 113 CD1 PHE A 6 -1.772 -1.444 -15.417 1.00 0.00 C ATOM 114 CD2 PHE A 6 -2.840 0.743 -15.323 1.00 0.00 C ATOM 115 CE1 PHE A 6 -0.537 -0.826 -15.692 1.00 0.00 C ATOM 116 CE2 PHE A 6 -1.606 1.360 -15.590 1.00 0.00 C ATOM 117 CZ PHE A 6 -0.453 0.575 -15.773 1.00 0.00 C ATOM 0 H PHE A 6 -6.288 -2.310 -14.083 1.00 0.00 H new ATOM 0 HA PHE A 6 -3.727 -2.218 -12.988 1.00 0.00 H new ATOM 0 HB2 PHE A 6 -4.305 -2.285 -15.400 1.00 0.00 H new ATOM 0 HB3 PHE A 6 -5.062 -0.709 -15.287 1.00 0.00 H new ATOM 0 HD1 PHE A 6 -1.834 -2.520 -15.350 1.00 0.00 H new ATOM 0 HD2 PHE A 6 -3.726 1.347 -15.189 1.00 0.00 H new ATOM 0 HE1 PHE A 6 0.347 -1.429 -15.841 1.00 0.00 H new ATOM 0 HE2 PHE A 6 -1.543 2.436 -15.655 1.00 0.00 H new ATOM 0 HZ PHE A 6 0.496 1.048 -15.976 1.00 0.00 H new ATOM 127 N ASP A 7 -5.378 0.577 -12.471 1.00 0.00 N ATOM 128 CA ASP A 7 -5.360 1.799 -11.656 1.00 0.00 C ATOM 129 C ASP A 7 -5.475 1.484 -10.152 1.00 0.00 C ATOM 130 O ASP A 7 -4.859 2.163 -9.332 1.00 0.00 O ATOM 131 CB ASP A 7 -6.468 2.765 -12.112 1.00 0.00 C ATOM 132 CG ASP A 7 -5.861 3.983 -12.827 1.00 0.00 C ATOM 133 OD1 ASP A 7 -5.406 4.923 -12.135 1.00 0.00 O ATOM 134 OD2 ASP A 7 -5.820 3.991 -14.081 1.00 0.00 O ATOM 0 H ASP A 7 -6.273 0.399 -12.927 1.00 0.00 H new ATOM 0 HA ASP A 7 -4.397 2.287 -11.805 1.00 0.00 H new ATOM 0 HB2 ASP A 7 -7.156 2.249 -12.782 1.00 0.00 H new ATOM 0 HB3 ASP A 7 -7.049 3.094 -11.250 1.00 0.00 H new ATOM 139 N ILE A 8 -6.204 0.429 -9.773 1.00 0.00 N ATOM 140 CA ILE A 8 -6.327 -0.027 -8.377 1.00 0.00 C ATOM 141 C ILE A 8 -4.981 -0.518 -7.806 1.00 0.00 C ATOM 142 O ILE A 8 -4.703 -0.291 -6.625 1.00 0.00 O ATOM 143 CB ILE A 8 -7.443 -1.095 -8.240 1.00 0.00 C ATOM 144 CG1 ILE A 8 -8.806 -0.634 -8.817 1.00 0.00 C ATOM 145 CG2 ILE A 8 -7.625 -1.537 -6.776 1.00 0.00 C ATOM 146 CD1 ILE A 8 -9.353 0.690 -8.260 1.00 0.00 C ATOM 0 H ILE A 8 -6.733 -0.142 -10.432 1.00 0.00 H new ATOM 0 HA ILE A 8 -6.619 0.833 -7.774 1.00 0.00 H new ATOM 0 HB ILE A 8 -7.106 -1.944 -8.835 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -8.708 -0.539 -9.898 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -9.542 -1.417 -8.631 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -8.415 -2.286 -6.718 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -6.693 -1.964 -6.406 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -7.896 -0.675 -6.167 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -10.309 0.916 -8.732 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -9.492 0.602 -7.183 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -8.646 1.493 -8.470 1.00 0.00 H new ATOM 158 N THR A 9 -4.097 -1.121 -8.616 1.00 0.00 N ATOM 159 CA THR A 9 -2.766 -1.560 -8.138 1.00 0.00 C ATOM 160 C THR A 9 -1.880 -0.404 -7.649 1.00 0.00 C ATOM 161 O THR A 9 -1.082 -0.590 -6.726 1.00 0.00 O ATOM 162 CB THR A 9 -1.986 -2.417 -9.153 1.00 0.00 C ATOM 163 OG1 THR A 9 -1.454 -1.634 -10.196 1.00 0.00 O ATOM 164 CG2 THR A 9 -2.817 -3.534 -9.786 1.00 0.00 C ATOM 0 H THR A 9 -4.274 -1.317 -9.601 1.00 0.00 H new ATOM 0 HA THR A 9 -3.003 -2.194 -7.284 1.00 0.00 H new ATOM 0 HB THR A 9 -1.188 -2.870 -8.565 1.00 0.00 H new ATOM 0 HG1 THR A 9 -2.184 -1.195 -10.681 1.00 0.00 H new ATOM 0 HG21 THR A 9 -2.199 -4.093 -10.489 1.00 0.00 H new ATOM 0 HG22 THR A 9 -3.178 -4.205 -9.007 1.00 0.00 H new ATOM 0 HG23 THR A 9 -3.666 -3.101 -10.314 1.00 0.00 H new ATOM 172 N ASN A 10 -2.046 0.808 -8.195 1.00 0.00 N ATOM 173 CA ASN A 10 -1.341 2.012 -7.744 1.00 0.00 C ATOM 174 C ASN A 10 -1.766 2.404 -6.313 1.00 0.00 C ATOM 175 O ASN A 10 -0.915 2.719 -5.478 1.00 0.00 O ATOM 176 CB ASN A 10 -1.589 3.135 -8.768 1.00 0.00 C ATOM 177 CG ASN A 10 -1.142 4.495 -8.263 1.00 0.00 C ATOM 178 OD1 ASN A 10 0.023 4.861 -8.321 1.00 0.00 O ATOM 179 ND2 ASN A 10 -2.061 5.282 -7.747 1.00 0.00 N ATOM 0 H ASN A 10 -2.683 0.981 -8.973 1.00 0.00 H new ATOM 0 HA ASN A 10 -0.269 1.822 -7.691 1.00 0.00 H new ATOM 0 HB2 ASN A 10 -1.059 2.903 -9.692 1.00 0.00 H new ATOM 0 HB3 ASN A 10 -2.651 3.173 -9.010 1.00 0.00 H new ATOM 0 HD21 ASN A 10 -1.803 6.203 -7.393 1.00 0.00 H new ATOM 0 HD22 ASN A 10 -3.031 4.971 -7.701 1.00 0.00 H new ATOM 186 N TRP A 11 -3.070 2.349 -6.010 1.00 0.00 N ATOM 187 CA TRP A 11 -3.602 2.596 -4.661 1.00 0.00 C ATOM 188 C TRP A 11 -3.117 1.552 -3.649 1.00 0.00 C ATOM 189 O TRP A 11 -2.715 1.916 -2.544 1.00 0.00 O ATOM 190 CB TRP A 11 -5.135 2.652 -4.693 1.00 0.00 C ATOM 191 CG TRP A 11 -5.702 3.857 -5.376 1.00 0.00 C ATOM 192 CD1 TRP A 11 -6.025 3.944 -6.686 1.00 0.00 C ATOM 193 CD2 TRP A 11 -6.021 5.161 -4.797 1.00 0.00 C ATOM 194 NE1 TRP A 11 -6.504 5.211 -6.963 1.00 0.00 N ATOM 195 CE2 TRP A 11 -6.533 5.999 -5.832 1.00 0.00 C ATOM 196 CE3 TRP A 11 -5.937 5.717 -3.501 1.00 0.00 C ATOM 197 CZ2 TRP A 11 -6.941 7.321 -5.595 1.00 0.00 C ATOM 198 CZ3 TRP A 11 -6.349 7.042 -3.251 1.00 0.00 C ATOM 199 CH2 TRP A 11 -6.850 7.843 -4.294 1.00 0.00 C ATOM 0 H TRP A 11 -3.791 2.131 -6.698 1.00 0.00 H new ATOM 0 HA TRP A 11 -3.220 3.562 -4.331 1.00 0.00 H new ATOM 0 HB2 TRP A 11 -5.507 1.758 -5.194 1.00 0.00 H new ATOM 0 HB3 TRP A 11 -5.508 2.622 -3.669 1.00 0.00 H new ATOM 0 HD1 TRP A 11 -5.924 3.146 -7.406 1.00 0.00 H new ATOM 0 HE1 TRP A 11 -6.799 5.524 -7.888 1.00 0.00 H new ATOM 0 HE3 TRP A 11 -5.551 5.118 -2.689 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 -7.320 7.929 -6.403 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 -6.280 7.445 -2.252 1.00 0.00 H new ATOM 0 HH2 TRP A 11 -7.164 8.857 -4.095 1.00 0.00 H new ATOM 210 N LEU A 12 -3.091 0.265 -4.030 1.00 0.00 N ATOM 211 CA LEU A 12 -2.547 -0.812 -3.191 1.00 0.00 C ATOM 212 C LEU A 12 -1.102 -0.532 -2.752 1.00 0.00 C ATOM 213 O LEU A 12 -0.764 -0.775 -1.594 1.00 0.00 O ATOM 214 CB LEU A 12 -2.649 -2.170 -3.911 1.00 0.00 C ATOM 215 CG LEU A 12 -4.061 -2.784 -3.930 1.00 0.00 C ATOM 216 CD1 LEU A 12 -4.074 -4.012 -4.845 1.00 0.00 C ATOM 217 CD2 LEU A 12 -4.500 -3.246 -2.536 1.00 0.00 C ATOM 0 H LEU A 12 -3.447 -0.057 -4.930 1.00 0.00 H new ATOM 0 HA LEU A 12 -3.154 -0.852 -2.286 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -2.307 -2.048 -4.939 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -1.968 -2.873 -3.430 1.00 0.00 H new ATOM 0 HG LEU A 12 -4.743 -2.012 -4.286 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -5.074 -4.446 -4.858 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -3.794 -3.715 -5.856 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -3.363 -4.750 -4.474 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -5.501 -3.673 -2.593 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -3.805 -4.000 -2.167 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -4.507 -2.394 -1.856 1.00 0.00 H new ATOM 229 N TRP A 13 -0.267 0.031 -3.634 1.00 0.00 N ATOM 230 CA TRP A 13 1.122 0.402 -3.336 1.00 0.00 C ATOM 231 C TRP A 13 1.244 1.388 -2.161 1.00 0.00 C ATOM 232 O TRP A 13 2.071 1.184 -1.272 1.00 0.00 O ATOM 233 CB TRP A 13 1.807 0.945 -4.601 1.00 0.00 C ATOM 234 CG TRP A 13 3.226 0.497 -4.774 1.00 0.00 C ATOM 235 CD1 TRP A 13 3.590 -0.697 -5.296 1.00 0.00 C ATOM 236 CD2 TRP A 13 4.472 1.190 -4.447 1.00 0.00 C ATOM 237 NE1 TRP A 13 4.969 -0.796 -5.313 1.00 0.00 N ATOM 238 CE2 TRP A 13 5.563 0.338 -4.802 1.00 0.00 C ATOM 239 CE3 TRP A 13 4.802 2.450 -3.897 1.00 0.00 C ATOM 240 CZ2 TRP A 13 6.904 0.708 -4.620 1.00 0.00 C ATOM 241 CZ3 TRP A 13 6.147 2.837 -3.720 1.00 0.00 C ATOM 242 CH2 TRP A 13 7.196 1.970 -4.073 1.00 0.00 C ATOM 0 H TRP A 13 -0.543 0.245 -4.592 1.00 0.00 H new ATOM 0 HA TRP A 13 1.637 -0.504 -3.016 1.00 0.00 H new ATOM 0 HB2 TRP A 13 1.231 0.635 -5.473 1.00 0.00 H new ATOM 0 HB3 TRP A 13 1.783 2.034 -4.574 1.00 0.00 H new ATOM 0 HD1 TRP A 13 2.907 -1.457 -5.646 1.00 0.00 H new ATOM 0 HE1 TRP A 13 5.482 -1.606 -5.660 1.00 0.00 H new ATOM 0 HE3 TRP A 13 4.012 3.127 -3.608 1.00 0.00 H new ATOM 0 HZ2 TRP A 13 7.701 0.033 -4.896 1.00 0.00 H new ATOM 0 HZ3 TRP A 13 6.373 3.810 -3.309 1.00 0.00 H new ATOM 0 HH2 TRP A 13 8.222 2.272 -3.925 1.00 0.00 H new ATOM 253 N TYR A 14 0.390 2.419 -2.110 1.00 0.00 N ATOM 254 CA TYR A 14 0.337 3.395 -1.010 1.00 0.00 C ATOM 255 C TYR A 14 0.073 2.725 0.351 1.00 0.00 C ATOM 256 O TYR A 14 0.738 3.034 1.341 1.00 0.00 O ATOM 257 CB TYR A 14 -0.727 4.461 -1.318 1.00 0.00 C ATOM 258 CG TYR A 14 -0.763 5.612 -0.324 1.00 0.00 C ATOM 259 CD1 TYR A 14 0.065 6.735 -0.519 1.00 0.00 C ATOM 260 CD2 TYR A 14 -1.623 5.559 0.792 1.00 0.00 C ATOM 261 CE1 TYR A 14 0.038 7.804 0.399 1.00 0.00 C ATOM 262 CE2 TYR A 14 -1.649 6.624 1.715 1.00 0.00 C ATOM 263 CZ TYR A 14 -0.818 7.751 1.521 1.00 0.00 C ATOM 264 OH TYR A 14 -0.852 8.777 2.416 1.00 0.00 O ATOM 0 H TYR A 14 -0.295 2.602 -2.843 1.00 0.00 H new ATOM 0 HA TYR A 14 1.314 3.873 -0.934 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -0.545 4.862 -2.315 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -1.707 3.984 -1.340 1.00 0.00 H new ATOM 0 HD1 TYR A 14 0.723 6.777 -1.375 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -2.263 4.701 0.940 1.00 0.00 H new ATOM 0 HE1 TYR A 14 0.672 8.664 0.244 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -2.305 6.579 2.572 1.00 0.00 H new ATOM 0 HH TYR A 14 -1.498 8.572 3.124 1.00 0.00 H new ATOM 274 N ILE A 15 -0.865 1.771 0.401 1.00 0.00 N ATOM 275 CA ILE A 15 -1.164 0.982 1.609 1.00 0.00 C ATOM 276 C ILE A 15 0.001 0.032 1.944 1.00 0.00 C ATOM 277 O ILE A 15 0.403 -0.063 3.102 1.00 0.00 O ATOM 278 CB ILE A 15 -2.507 0.231 1.446 1.00 0.00 C ATOM 279 CG1 ILE A 15 -3.689 1.199 1.168 1.00 0.00 C ATOM 280 CG2 ILE A 15 -2.838 -0.590 2.706 1.00 0.00 C ATOM 281 CD1 ILE A 15 -4.658 0.640 0.121 1.00 0.00 C ATOM 0 H ILE A 15 -1.444 1.521 -0.401 1.00 0.00 H new ATOM 0 HA ILE A 15 -1.273 1.660 2.455 1.00 0.00 H new ATOM 0 HB ILE A 15 -2.383 -0.431 0.589 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -4.228 1.388 2.096 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -3.299 2.157 0.825 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -3.787 -1.107 2.564 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -2.049 -1.321 2.882 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -2.913 0.076 3.565 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -5.468 1.351 -0.041 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -4.126 0.476 -0.816 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -5.070 -0.305 0.474 1.00 0.00 H new ATOM 293 N LYS A 16 0.610 -0.626 0.945 1.00 0.00 N ATOM 294 CA LYS A 16 1.789 -1.504 1.103 1.00 0.00 C ATOM 295 C LYS A 16 2.970 -0.811 1.792 1.00 0.00 C ATOM 296 O LYS A 16 3.663 -1.449 2.586 1.00 0.00 O ATOM 297 CB LYS A 16 2.195 -2.100 -0.263 1.00 0.00 C ATOM 298 CG LYS A 16 2.104 -3.635 -0.299 1.00 0.00 C ATOM 299 CD LYS A 16 3.249 -4.375 0.413 1.00 0.00 C ATOM 300 CE LYS A 16 4.588 -4.159 -0.307 1.00 0.00 C ATOM 301 NZ LYS A 16 5.563 -5.243 -0.005 1.00 0.00 N ATOM 0 H LYS A 16 0.291 -0.563 -0.022 1.00 0.00 H new ATOM 0 HA LYS A 16 1.499 -2.316 1.770 1.00 0.00 H new ATOM 0 HB2 LYS A 16 1.553 -1.685 -1.040 1.00 0.00 H new ATOM 0 HB3 LYS A 16 3.215 -1.796 -0.497 1.00 0.00 H new ATOM 0 HG2 LYS A 16 1.160 -3.938 0.154 1.00 0.00 H new ATOM 0 HG3 LYS A 16 2.076 -3.957 -1.340 1.00 0.00 H new ATOM 0 HD2 LYS A 16 3.327 -4.024 1.442 1.00 0.00 H new ATOM 0 HD3 LYS A 16 3.025 -5.441 0.456 1.00 0.00 H new ATOM 0 HE2 LYS A 16 4.418 -4.113 -1.383 1.00 0.00 H new ATOM 0 HE3 LYS A 16 5.009 -3.199 -0.009 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 6.453 -5.060 -0.510 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 5.745 -5.271 1.019 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 5.172 -6.157 -0.312 1.00 0.00 H new ATOM 315 N LEU A 17 3.185 0.482 1.531 1.00 0.00 N ATOM 316 CA LEU A 17 4.215 1.285 2.204 1.00 0.00 C ATOM 317 C LEU A 17 3.963 1.353 3.723 1.00 0.00 C ATOM 318 O LEU A 17 4.891 1.168 4.508 1.00 0.00 O ATOM 319 CB LEU A 17 4.287 2.701 1.603 1.00 0.00 C ATOM 320 CG LEU A 17 4.845 2.784 0.170 1.00 0.00 C ATOM 321 CD1 LEU A 17 4.696 4.218 -0.341 1.00 0.00 C ATOM 322 CD2 LEU A 17 6.324 2.399 0.103 1.00 0.00 C ATOM 0 H LEU A 17 2.646 1.006 0.842 1.00 0.00 H new ATOM 0 HA LEU A 17 5.175 0.795 2.043 1.00 0.00 H new ATOM 0 HB2 LEU A 17 3.286 3.131 1.610 1.00 0.00 H new ATOM 0 HB3 LEU A 17 4.905 3.321 2.252 1.00 0.00 H new ATOM 0 HG LEU A 17 4.281 2.082 -0.444 1.00 0.00 H new ATOM 0 HD11 LEU A 17 5.089 4.285 -1.355 1.00 0.00 H new ATOM 0 HD12 LEU A 17 3.642 4.497 -0.341 1.00 0.00 H new ATOM 0 HD13 LEU A 17 5.251 4.895 0.309 1.00 0.00 H new ATOM 0 HD21 LEU A 17 6.673 2.473 -0.927 1.00 0.00 H new ATOM 0 HD22 LEU A 17 6.905 3.074 0.732 1.00 0.00 H new ATOM 0 HD23 LEU A 17 6.450 1.376 0.456 1.00 0.00 H new ATOM 334 N PHE A 18 2.714 1.564 4.156 1.00 0.00 N ATOM 335 CA PHE A 18 2.353 1.539 5.579 1.00 0.00 C ATOM 336 C PHE A 18 2.662 0.164 6.198 1.00 0.00 C ATOM 337 O PHE A 18 3.295 0.100 7.251 1.00 0.00 O ATOM 338 CB PHE A 18 0.878 1.935 5.761 1.00 0.00 C ATOM 339 CG PHE A 18 0.373 1.898 7.193 1.00 0.00 C ATOM 340 CD1 PHE A 18 0.647 2.966 8.070 1.00 0.00 C ATOM 341 CD2 PHE A 18 -0.392 0.805 7.646 1.00 0.00 C ATOM 342 CE1 PHE A 18 0.147 2.948 9.386 1.00 0.00 C ATOM 343 CE2 PHE A 18 -0.892 0.785 8.962 1.00 0.00 C ATOM 344 CZ PHE A 18 -0.629 1.861 9.830 1.00 0.00 C ATOM 0 H PHE A 18 1.929 1.756 3.534 1.00 0.00 H new ATOM 0 HA PHE A 18 2.960 2.272 6.110 1.00 0.00 H new ATOM 0 HB2 PHE A 18 0.737 2.942 5.368 1.00 0.00 H new ATOM 0 HB3 PHE A 18 0.262 1.269 5.157 1.00 0.00 H new ATOM 0 HD1 PHE A 18 1.242 3.801 7.732 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -0.596 -0.021 6.981 1.00 0.00 H new ATOM 0 HE1 PHE A 18 0.359 3.769 10.055 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -1.477 -0.056 9.305 1.00 0.00 H new ATOM 0 HZ PHE A 18 -1.022 1.853 10.836 1.00 0.00 H new ATOM 354 N ILE A 19 2.297 -0.935 5.522 1.00 0.00 N ATOM 355 CA ILE A 19 2.578 -2.308 5.982 1.00 0.00 C ATOM 356 C ILE A 19 4.085 -2.538 6.183 1.00 0.00 C ATOM 357 O ILE A 19 4.483 -2.988 7.256 1.00 0.00 O ATOM 358 CB ILE A 19 1.969 -3.390 5.055 1.00 0.00 C ATOM 359 CG1 ILE A 19 0.458 -3.162 4.813 1.00 0.00 C ATOM 360 CG2 ILE A 19 2.182 -4.786 5.680 1.00 0.00 C ATOM 361 CD1 ILE A 19 -0.161 -4.114 3.780 1.00 0.00 C ATOM 0 H ILE A 19 1.795 -0.899 4.635 1.00 0.00 H new ATOM 0 HA ILE A 19 2.086 -2.411 6.949 1.00 0.00 H new ATOM 0 HB ILE A 19 2.476 -3.324 4.092 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -0.072 -3.275 5.759 1.00 0.00 H new ATOM 0 HG13 ILE A 19 0.305 -2.135 4.482 1.00 0.00 H new ATOM 0 HG21 ILE A 19 1.753 -5.546 5.027 1.00 0.00 H new ATOM 0 HG22 ILE A 19 3.249 -4.972 5.801 1.00 0.00 H new ATOM 0 HG23 ILE A 19 1.694 -4.827 6.654 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -1.222 -3.889 3.668 1.00 0.00 H new ATOM 0 HD12 ILE A 19 0.340 -3.986 2.821 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -0.042 -5.144 4.117 1.00 0.00 H new ATOM 373 N MET A 20 4.937 -2.227 5.195 1.00 0.00 N ATOM 374 CA MET A 20 6.391 -2.452 5.317 1.00 0.00 C ATOM 375 C MET A 20 7.047 -1.630 6.443 1.00 0.00 C ATOM 376 O MET A 20 7.970 -2.118 7.098 1.00 0.00 O ATOM 377 CB MET A 20 7.112 -2.248 3.970 1.00 0.00 C ATOM 378 CG MET A 20 7.139 -0.801 3.478 1.00 0.00 C ATOM 379 SD MET A 20 8.125 -0.483 1.989 1.00 0.00 S ATOM 380 CE MET A 20 7.233 -1.490 0.773 1.00 0.00 C ATOM 0 H MET A 20 4.649 -1.821 4.305 1.00 0.00 H new ATOM 0 HA MET A 20 6.508 -3.497 5.605 1.00 0.00 H new ATOM 0 HB2 MET A 20 8.137 -2.606 4.063 1.00 0.00 H new ATOM 0 HB3 MET A 20 6.626 -2.866 3.215 1.00 0.00 H new ATOM 0 HG2 MET A 20 6.114 -0.485 3.285 1.00 0.00 H new ATOM 0 HG3 MET A 20 7.520 -0.172 4.283 1.00 0.00 H new ATOM 0 HE1 MET A 20 7.640 -1.305 -0.221 1.00 0.00 H new ATOM 0 HE2 MET A 20 7.346 -2.545 1.021 1.00 0.00 H new ATOM 0 HE3 MET A 20 6.176 -1.226 0.787 1.00 0.00 H new ATOM 390 N ILE A 21 6.559 -0.410 6.706 1.00 0.00 N ATOM 391 CA ILE A 21 7.028 0.449 7.806 1.00 0.00 C ATOM 392 C ILE A 21 6.583 -0.131 9.159 1.00 0.00 C ATOM 393 O ILE A 21 7.413 -0.401 10.028 1.00 0.00 O ATOM 394 CB ILE A 21 6.526 1.900 7.601 1.00 0.00 C ATOM 395 CG1 ILE A 21 7.168 2.545 6.348 1.00 0.00 C ATOM 396 CG2 ILE A 21 6.835 2.762 8.837 1.00 0.00 C ATOM 397 CD1 ILE A 21 6.413 3.788 5.855 1.00 0.00 C ATOM 0 H ILE A 21 5.816 0.016 6.153 1.00 0.00 H new ATOM 0 HA ILE A 21 8.118 0.477 7.806 1.00 0.00 H new ATOM 0 HB ILE A 21 5.447 1.854 7.455 1.00 0.00 H new ATOM 0 HG12 ILE A 21 8.198 2.820 6.576 1.00 0.00 H new ATOM 0 HG13 ILE A 21 7.205 1.808 5.546 1.00 0.00 H new ATOM 0 HG21 ILE A 21 6.474 3.777 8.672 1.00 0.00 H new ATOM 0 HG22 ILE A 21 6.339 2.338 9.710 1.00 0.00 H new ATOM 0 HG23 ILE A 21 7.912 2.783 9.006 1.00 0.00 H new ATOM 0 HD11 ILE A 21 6.913 4.192 4.975 1.00 0.00 H new ATOM 0 HD12 ILE A 21 5.390 3.514 5.597 1.00 0.00 H new ATOM 0 HD13 ILE A 21 6.399 4.541 6.643 1.00 0.00 H new ATOM 409 N VAL A 22 5.281 -0.377 9.335 1.00 0.00 N ATOM 410 CA VAL A 22 4.695 -0.936 10.569 1.00 0.00 C ATOM 411 C VAL A 22 5.256 -2.320 10.876 1.00 0.00 C ATOM 412 O VAL A 22 5.503 -2.621 12.037 1.00 0.00 O ATOM 413 CB VAL A 22 3.162 -0.994 10.473 1.00 0.00 C ATOM 414 CG1 VAL A 22 2.488 -1.626 11.698 1.00 0.00 C ATOM 415 CG2 VAL A 22 2.576 0.419 10.346 1.00 0.00 C ATOM 0 H VAL A 22 4.586 -0.191 8.612 1.00 0.00 H new ATOM 0 HA VAL A 22 4.968 -0.270 11.388 1.00 0.00 H new ATOM 0 HB VAL A 22 2.963 -1.610 9.596 1.00 0.00 H new ATOM 0 HG11 VAL A 22 1.407 -1.631 11.556 1.00 0.00 H new ATOM 0 HG12 VAL A 22 2.843 -2.649 11.821 1.00 0.00 H new ATOM 0 HG13 VAL A 22 2.734 -1.047 12.588 1.00 0.00 H new ATOM 0 HG21 VAL A 22 1.490 0.358 10.279 1.00 0.00 H new ATOM 0 HG22 VAL A 22 2.853 1.008 11.220 1.00 0.00 H new ATOM 0 HG23 VAL A 22 2.968 0.896 9.448 1.00 0.00 H new ATOM 425 N GLY A 23 5.554 -3.134 9.861 1.00 0.00 N ATOM 426 CA GLY A 23 6.178 -4.450 10.019 1.00 0.00 C ATOM 427 C GLY A 23 7.502 -4.425 10.804 1.00 0.00 C ATOM 428 O GLY A 23 7.878 -5.430 11.410 1.00 0.00 O ATOM 0 H GLY A 23 5.365 -2.893 8.888 1.00 0.00 H new ATOM 0 HA2 GLY A 23 5.479 -5.114 10.527 1.00 0.00 H new ATOM 0 HA3 GLY A 23 6.361 -4.875 9.032 1.00 0.00 H new ATOM 432 N GLY A 24 8.192 -3.275 10.822 1.00 0.00 N ATOM 433 CA GLY A 24 9.413 -3.020 11.592 1.00 0.00 C ATOM 434 C GLY A 24 9.194 -2.109 12.809 1.00 0.00 C ATOM 435 O GLY A 24 9.902 -2.259 13.803 1.00 0.00 O ATOM 0 H GLY A 24 7.900 -2.464 10.276 1.00 0.00 H new ATOM 0 HA2 GLY A 24 9.825 -3.971 11.930 1.00 0.00 H new ATOM 0 HA3 GLY A 24 10.157 -2.565 10.938 1.00 0.00 H new ATOM 439 N LEU A 25 8.219 -1.189 12.782 1.00 0.00 N ATOM 440 CA LEU A 25 7.919 -0.280 13.904 1.00 0.00 C ATOM 441 C LEU A 25 6.977 -0.867 14.975 1.00 0.00 C ATOM 442 O LEU A 25 7.002 -0.401 16.115 1.00 0.00 O ATOM 443 CB LEU A 25 7.352 1.053 13.380 1.00 0.00 C ATOM 444 CG LEU A 25 8.317 1.905 12.532 1.00 0.00 C ATOM 445 CD1 LEU A 25 7.647 3.245 12.222 1.00 0.00 C ATOM 446 CD2 LEU A 25 9.642 2.209 13.235 1.00 0.00 C ATOM 0 H LEU A 25 7.610 -1.052 11.975 1.00 0.00 H new ATOM 0 HA LEU A 25 8.874 -0.118 14.405 1.00 0.00 H new ATOM 0 HB2 LEU A 25 6.465 0.839 12.783 1.00 0.00 H new ATOM 0 HB3 LEU A 25 7.026 1.648 14.233 1.00 0.00 H new ATOM 0 HG LEU A 25 8.537 1.325 11.636 1.00 0.00 H new ATOM 0 HD11 LEU A 25 8.320 3.858 11.622 1.00 0.00 H new ATOM 0 HD12 LEU A 25 6.724 3.071 11.669 1.00 0.00 H new ATOM 0 HD13 LEU A 25 7.419 3.762 13.154 1.00 0.00 H new ATOM 0 HD21 LEU A 25 10.271 2.812 12.580 1.00 0.00 H new ATOM 0 HD22 LEU A 25 9.447 2.757 14.157 1.00 0.00 H new ATOM 0 HD23 LEU A 25 10.152 1.275 13.469 1.00 0.00 H new ATOM 458 N VAL A 26 6.178 -1.893 14.663 1.00 0.00 N ATOM 459 CA VAL A 26 5.268 -2.564 15.619 1.00 0.00 C ATOM 460 C VAL A 26 6.033 -3.234 16.774 1.00 0.00 C ATOM 461 O VAL A 26 5.559 -3.246 17.912 1.00 0.00 O ATOM 462 CB VAL A 26 4.340 -3.562 14.884 1.00 0.00 C ATOM 463 CG1 VAL A 26 5.058 -4.832 14.400 1.00 0.00 C ATOM 464 CG2 VAL A 26 3.117 -3.958 15.719 1.00 0.00 C ATOM 0 H VAL A 26 6.139 -2.293 13.725 1.00 0.00 H new ATOM 0 HA VAL A 26 4.640 -1.796 16.072 1.00 0.00 H new ATOM 0 HB VAL A 26 4.005 -3.013 14.004 1.00 0.00 H new ATOM 0 HG11 VAL A 26 4.345 -5.483 13.895 1.00 0.00 H new ATOM 0 HG12 VAL A 26 5.854 -4.558 13.707 1.00 0.00 H new ATOM 0 HG13 VAL A 26 5.486 -5.356 15.255 1.00 0.00 H new ATOM 0 HG21 VAL A 26 2.502 -4.659 15.154 1.00 0.00 H new ATOM 0 HG22 VAL A 26 3.446 -4.429 16.645 1.00 0.00 H new ATOM 0 HG23 VAL A 26 2.532 -3.068 15.952 1.00 0.00 H new ATOM 474 N LYS A 27 7.238 -3.757 16.494 1.00 0.00 N ATOM 475 CA LYS A 27 8.119 -4.441 17.459 1.00 0.00 C ATOM 476 C LYS A 27 9.068 -3.499 18.223 1.00 0.00 C ATOM 477 O LYS A 27 9.497 -3.839 19.328 1.00 0.00 O ATOM 478 CB LYS A 27 8.869 -5.581 16.735 1.00 0.00 C ATOM 479 CG LYS A 27 9.996 -5.123 15.784 1.00 0.00 C ATOM 480 CD LYS A 27 11.388 -5.129 16.439 1.00 0.00 C ATOM 481 CE LYS A 27 11.955 -6.555 16.497 1.00 0.00 C ATOM 482 NZ LYS A 27 12.903 -6.730 17.629 1.00 0.00 N ATOM 0 H LYS A 27 7.641 -3.715 15.558 1.00 0.00 H new ATOM 0 HA LYS A 27 7.489 -4.863 18.242 1.00 0.00 H new ATOM 0 HB2 LYS A 27 9.296 -6.248 17.484 1.00 0.00 H new ATOM 0 HB3 LYS A 27 8.147 -6.164 16.163 1.00 0.00 H new ATOM 0 HG2 LYS A 27 10.011 -5.774 14.910 1.00 0.00 H new ATOM 0 HG3 LYS A 27 9.774 -4.117 15.428 1.00 0.00 H new ATOM 0 HD2 LYS A 27 12.064 -4.486 15.874 1.00 0.00 H new ATOM 0 HD3 LYS A 27 11.323 -4.717 17.446 1.00 0.00 H new ATOM 0 HE2 LYS A 27 11.136 -7.267 16.596 1.00 0.00 H new ATOM 0 HE3 LYS A 27 12.463 -6.782 15.560 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 13.263 -7.706 17.633 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 13.698 -6.068 17.522 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 12.412 -6.539 18.526 1.00 0.00 H new ATOM 496 N LYS A 28 9.411 -2.343 17.637 1.00 0.00 N ATOM 497 CA LYS A 28 10.321 -1.309 18.179 1.00 0.00 C ATOM 498 C LYS A 28 9.764 -0.637 19.445 1.00 0.00 C ATOM 499 O LYS A 28 8.586 -0.214 19.450 1.00 0.00 O ATOM 500 CB LYS A 28 10.633 -0.269 17.083 1.00 0.00 C ATOM 501 CG LYS A 28 11.622 -0.792 16.023 1.00 0.00 C ATOM 502 CD LYS A 28 13.078 -0.423 16.343 1.00 0.00 C ATOM 503 CE LYS A 28 14.043 -1.204 15.440 1.00 0.00 C ATOM 504 NZ LYS A 28 15.420 -0.644 15.487 1.00 0.00 N ATOM 505 OXT LYS A 28 10.525 -0.528 20.434 1.00 0.00 O ATOM 0 H LYS A 28 9.044 -2.085 16.721 1.00 0.00 H new ATOM 0 HA LYS A 28 11.245 -1.801 18.481 1.00 0.00 H new ATOM 0 HB2 LYS A 28 9.705 0.024 16.593 1.00 0.00 H new ATOM 0 HB3 LYS A 28 11.046 0.627 17.547 1.00 0.00 H new ATOM 0 HG2 LYS A 28 11.533 -1.876 15.951 1.00 0.00 H new ATOM 0 HG3 LYS A 28 11.353 -0.385 15.048 1.00 0.00 H new ATOM 0 HD2 LYS A 28 13.227 0.648 16.204 1.00 0.00 H new ATOM 0 HD3 LYS A 28 13.293 -0.641 17.389 1.00 0.00 H new ATOM 0 HE2 LYS A 28 14.065 -2.249 15.750 1.00 0.00 H new ATOM 0 HE3 LYS A 28 13.677 -1.183 14.413 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 16.042 -1.198 14.864 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 15.403 0.346 15.168 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 15.779 -0.687 16.462 1.00 0.00 H new TER 519 LYS A 28