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+ -153:sc=-0.00997 (180deg=-0.2) 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= -0.379 K(o=-0.38,f=-2.4!) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0.00695 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+ -147:sc= 0 (180deg=-0.542) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 15.638 -7.439 12.657 1.00 0.00 N ATOM 2 CA LYS A 1 14.580 -6.496 12.179 1.00 0.00 C ATOM 3 C LYS A 1 14.635 -6.226 10.661 1.00 0.00 C ATOM 4 O LYS A 1 13.582 -6.208 10.023 1.00 0.00 O ATOM 5 CB LYS A 1 14.521 -5.208 13.037 1.00 0.00 C ATOM 6 CG LYS A 1 13.948 -5.501 14.445 1.00 0.00 C ATOM 7 CD LYS A 1 14.516 -4.600 15.558 1.00 0.00 C ATOM 8 CE LYS A 1 13.966 -3.166 15.565 1.00 0.00 C ATOM 9 NZ LYS A 1 12.610 -3.090 16.173 1.00 0.00 N ATOM 0 H1 LYS A 1 15.306 -7.928 13.513 1.00 0.00 H new ATOM 0 H2 LYS A 1 15.840 -8.139 11.915 1.00 0.00 H new ATOM 0 H3 LYS A 1 16.504 -6.907 12.876 1.00 0.00 H new ATOM 0 HA LYS A 1 13.627 -7.004 12.328 1.00 0.00 H new ATOM 0 HB2 LYS A 1 15.520 -4.783 13.129 1.00 0.00 H new ATOM 0 HB3 LYS A 1 13.902 -4.463 12.537 1.00 0.00 H new ATOM 0 HG2 LYS A 1 12.865 -5.384 14.416 1.00 0.00 H new ATOM 0 HG3 LYS A 1 14.149 -6.542 14.698 1.00 0.00 H new ATOM 0 HD2 LYS A 1 14.305 -5.061 16.523 1.00 0.00 H new ATOM 0 HD3 LYS A 1 15.600 -4.558 15.455 1.00 0.00 H new ATOM 0 HE2 LYS A 1 14.648 -2.519 16.118 1.00 0.00 H new ATOM 0 HE3 LYS A 1 13.927 -2.788 14.543 1.00 0.00 H new ATOM 0 HZ1 LYS A 1 12.277 -2.105 16.157 1.00 0.00 H new ATOM 0 HZ2 LYS A 1 11.953 -3.686 15.631 1.00 0.00 H new ATOM 0 HZ3 LYS A 1 12.651 -3.426 17.156 1.00 0.00 H new ATOM 25 N LYS A 2 15.810 -6.073 10.017 1.00 0.00 N ATOM 26 CA LYS A 2 15.908 -5.889 8.543 1.00 0.00 C ATOM 27 C LYS A 2 15.364 -7.076 7.719 1.00 0.00 C ATOM 28 O LYS A 2 14.801 -6.876 6.645 1.00 0.00 O ATOM 29 CB LYS A 2 17.361 -5.562 8.138 1.00 0.00 C ATOM 30 CG LYS A 2 17.429 -4.685 6.871 1.00 0.00 C ATOM 31 CD LYS A 2 17.223 -3.190 7.180 1.00 0.00 C ATOM 32 CE LYS A 2 18.520 -2.563 7.712 1.00 0.00 C ATOM 33 NZ LYS A 2 18.274 -1.267 8.398 1.00 0.00 N ATOM 0 H LYS A 2 16.712 -6.072 10.492 1.00 0.00 H new ATOM 0 HA LYS A 2 15.260 -5.046 8.303 1.00 0.00 H new ATOM 0 HB2 LYS A 2 17.859 -5.048 8.960 1.00 0.00 H new ATOM 0 HB3 LYS A 2 17.906 -6.490 7.965 1.00 0.00 H new ATOM 0 HG2 LYS A 2 18.396 -4.823 6.388 1.00 0.00 H new ATOM 0 HG3 LYS A 2 16.669 -5.015 6.163 1.00 0.00 H new ATOM 0 HD2 LYS A 2 16.904 -2.668 6.278 1.00 0.00 H new ATOM 0 HD3 LYS A 2 16.427 -3.072 7.916 1.00 0.00 H new ATOM 0 HE2 LYS A 2 18.999 -3.255 8.405 1.00 0.00 H new ATOM 0 HE3 LYS A 2 19.214 -2.409 6.885 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 19.176 -0.879 8.741 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 17.841 -0.598 7.730 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 17.633 -1.417 9.203 1.00 0.00 H new ATOM 47 N LYS A 3 15.455 -8.308 8.241 1.00 0.00 N ATOM 48 CA LYS A 3 14.919 -9.547 7.626 1.00 0.00 C ATOM 49 C LYS A 3 13.410 -9.480 7.340 1.00 0.00 C ATOM 50 O LYS A 3 12.956 -9.993 6.318 1.00 0.00 O ATOM 51 CB LYS A 3 15.237 -10.765 8.519 1.00 0.00 C ATOM 52 CG LYS A 3 16.569 -11.471 8.210 1.00 0.00 C ATOM 53 CD LYS A 3 17.834 -10.608 8.391 1.00 0.00 C ATOM 54 CE LYS A 3 18.966 -11.347 9.122 1.00 0.00 C ATOM 55 NZ LYS A 3 19.462 -12.537 8.379 1.00 0.00 N ATOM 0 H LYS A 3 15.918 -8.483 9.133 1.00 0.00 H new ATOM 0 HA LYS A 3 15.414 -9.654 6.661 1.00 0.00 H new ATOM 0 HB2 LYS A 3 15.249 -10.440 9.559 1.00 0.00 H new ATOM 0 HB3 LYS A 3 14.428 -11.489 8.420 1.00 0.00 H new ATOM 0 HG2 LYS A 3 16.653 -12.348 8.852 1.00 0.00 H new ATOM 0 HG3 LYS A 3 16.540 -11.831 7.182 1.00 0.00 H new ATOM 0 HD2 LYS A 3 18.190 -10.286 7.413 1.00 0.00 H new ATOM 0 HD3 LYS A 3 17.576 -9.708 8.949 1.00 0.00 H new ATOM 0 HE2 LYS A 3 19.794 -10.658 9.287 1.00 0.00 H new ATOM 0 HE3 LYS A 3 18.612 -11.661 10.104 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 20.223 -12.993 8.922 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 18.682 -13.212 8.243 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 19.828 -12.240 7.452 1.00 0.00 H new ATOM 69 N ASN A 4 12.643 -8.811 8.207 1.00 0.00 N ATOM 70 CA ASN A 4 11.199 -8.581 8.064 1.00 0.00 C ATOM 71 C ASN A 4 10.847 -7.237 7.379 1.00 0.00 C ATOM 72 O ASN A 4 9.687 -6.828 7.394 1.00 0.00 O ATOM 73 CB ASN A 4 10.507 -8.801 9.427 1.00 0.00 C ATOM 74 CG ASN A 4 10.987 -7.887 10.544 1.00 0.00 C ATOM 75 OD1 ASN A 4 11.850 -8.243 11.336 1.00 0.00 O ATOM 76 ND2 ASN A 4 10.443 -6.697 10.656 1.00 0.00 N ATOM 0 H ASN A 4 13.023 -8.399 9.059 1.00 0.00 H new ATOM 0 HA ASN A 4 10.800 -9.318 7.367 1.00 0.00 H new ATOM 0 HB2 ASN A 4 9.433 -8.662 9.300 1.00 0.00 H new ATOM 0 HB3 ASN A 4 10.660 -9.836 9.733 1.00 0.00 H new ATOM 0 HD21 ASN A 4 10.739 -6.069 11.403 1.00 0.00 H new ATOM 0 HD22 ASN A 4 9.724 -6.401 9.996 1.00 0.00 H new ATOM 83 N TRP A 5 11.816 -6.547 6.761 1.00 0.00 N ATOM 84 CA TRP A 5 11.589 -5.314 5.988 1.00 0.00 C ATOM 85 C TRP A 5 11.046 -5.578 4.569 1.00 0.00 C ATOM 86 O TRP A 5 10.203 -4.827 4.079 1.00 0.00 O ATOM 87 CB TRP A 5 12.893 -4.509 5.921 1.00 0.00 C ATOM 88 CG TRP A 5 12.710 -3.058 5.608 1.00 0.00 C ATOM 89 CD1 TRP A 5 12.821 -2.482 4.390 1.00 0.00 C ATOM 90 CD2 TRP A 5 12.351 -1.989 6.533 1.00 0.00 C ATOM 91 NE1 TRP A 5 12.553 -1.128 4.498 1.00 0.00 N ATOM 92 CE2 TRP A 5 12.252 -0.772 5.798 1.00 0.00 C ATOM 93 CE3 TRP A 5 12.090 -1.930 7.920 1.00 0.00 C ATOM 94 CZ2 TRP A 5 11.908 0.446 6.405 1.00 0.00 C ATOM 95 CZ3 TRP A 5 11.746 -0.714 8.542 1.00 0.00 C ATOM 96 CH2 TRP A 5 11.653 0.471 7.789 1.00 0.00 C ATOM 0 H TRP A 5 12.795 -6.833 6.783 1.00 0.00 H new ATOM 0 HA TRP A 5 10.819 -4.743 6.506 1.00 0.00 H new ATOM 0 HB2 TRP A 5 13.411 -4.599 6.876 1.00 0.00 H new ATOM 0 HB3 TRP A 5 13.540 -4.952 5.164 1.00 0.00 H new ATOM 0 HD1 TRP A 5 13.078 -2.997 3.476 1.00 0.00 H new ATOM 0 HE1 TRP A 5 12.575 -0.475 3.715 1.00 0.00 H new ATOM 0 HE3 TRP A 5 12.155 -2.831 8.512 1.00 0.00 H new ATOM 0 HZ2 TRP A 5 11.840 1.351 5.819 1.00 0.00 H new ATOM 0 HZ3 TRP A 5 11.552 -0.691 9.604 1.00 0.00 H new ATOM 0 HH2 TRP A 5 11.386 1.399 8.273 1.00 0.00 H new ATOM 107 N PHE A 6 11.495 -6.659 3.917 1.00 0.00 N ATOM 108 CA PHE A 6 11.033 -7.084 2.582 1.00 0.00 C ATOM 109 C PHE A 6 9.575 -7.596 2.568 1.00 0.00 C ATOM 110 O PHE A 6 8.972 -7.720 1.502 1.00 0.00 O ATOM 111 CB PHE A 6 11.983 -8.167 2.026 1.00 0.00 C ATOM 112 CG PHE A 6 12.491 -7.961 0.603 1.00 0.00 C ATOM 113 CD1 PHE A 6 11.636 -7.544 -0.441 1.00 0.00 C ATOM 114 CD2 PHE A 6 13.844 -8.226 0.315 1.00 0.00 C ATOM 115 CE1 PHE A 6 12.131 -7.396 -1.750 1.00 0.00 C ATOM 116 CE2 PHE A 6 14.339 -8.080 -0.995 1.00 0.00 C ATOM 117 CZ PHE A 6 13.482 -7.666 -2.028 1.00 0.00 C ATOM 0 H PHE A 6 12.205 -7.278 4.309 1.00 0.00 H new ATOM 0 HA PHE A 6 11.051 -6.199 1.945 1.00 0.00 H new ATOM 0 HB2 PHE A 6 12.845 -8.238 2.689 1.00 0.00 H new ATOM 0 HB3 PHE A 6 11.468 -9.127 2.069 1.00 0.00 H new ATOM 0 HD1 PHE A 6 10.596 -7.338 -0.234 1.00 0.00 H new ATOM 0 HD2 PHE A 6 14.507 -8.544 1.106 1.00 0.00 H new ATOM 0 HE1 PHE A 6 11.472 -7.074 -2.542 1.00 0.00 H new ATOM 0 HE2 PHE A 6 15.378 -8.286 -1.206 1.00 0.00 H new ATOM 0 HZ PHE A 6 13.860 -7.555 -3.034 1.00 0.00 H new ATOM 127 N ASP A 7 8.991 -7.899 3.731 1.00 0.00 N ATOM 128 CA ASP A 7 7.587 -8.296 3.885 1.00 0.00 C ATOM 129 C ASP A 7 6.647 -7.152 3.458 1.00 0.00 C ATOM 130 O ASP A 7 6.336 -6.249 4.243 1.00 0.00 O ATOM 131 CB ASP A 7 7.297 -8.741 5.332 1.00 0.00 C ATOM 132 CG ASP A 7 7.575 -10.230 5.619 1.00 0.00 C ATOM 133 OD1 ASP A 7 8.177 -10.941 4.777 1.00 0.00 O ATOM 134 OD2 ASP A 7 7.182 -10.705 6.711 1.00 0.00 O ATOM 0 H ASP A 7 9.496 -7.874 4.617 1.00 0.00 H new ATOM 0 HA ASP A 7 7.400 -9.147 3.231 1.00 0.00 H new ATOM 0 HB2 ASP A 7 7.899 -8.136 6.011 1.00 0.00 H new ATOM 0 HB3 ASP A 7 6.252 -8.531 5.559 1.00 0.00 H new ATOM 139 N ILE A 8 6.185 -7.196 2.203 1.00 0.00 N ATOM 140 CA ILE A 8 5.293 -6.179 1.623 1.00 0.00 C ATOM 141 C ILE A 8 3.999 -6.013 2.429 1.00 0.00 C ATOM 142 O ILE A 8 3.418 -4.935 2.453 1.00 0.00 O ATOM 143 CB ILE A 8 5.008 -6.432 0.125 1.00 0.00 C ATOM 144 CG1 ILE A 8 4.087 -7.649 -0.124 1.00 0.00 C ATOM 145 CG2 ILE A 8 6.334 -6.575 -0.645 1.00 0.00 C ATOM 146 CD1 ILE A 8 3.710 -7.848 -1.598 1.00 0.00 C ATOM 0 H ILE A 8 6.421 -7.946 1.553 1.00 0.00 H new ATOM 0 HA ILE A 8 5.829 -5.232 1.686 1.00 0.00 H new ATOM 0 HB ILE A 8 4.463 -5.565 -0.248 1.00 0.00 H new ATOM 0 HG12 ILE A 8 4.583 -8.549 0.239 1.00 0.00 H new ATOM 0 HG13 ILE A 8 3.176 -7.529 0.462 1.00 0.00 H new ATOM 0 HG21 ILE A 8 6.125 -6.753 -1.700 1.00 0.00 H new ATOM 0 HG22 ILE A 8 6.916 -5.660 -0.540 1.00 0.00 H new ATOM 0 HG23 ILE A 8 6.901 -7.414 -0.241 1.00 0.00 H new ATOM 0 HD11 ILE A 8 3.063 -8.720 -1.694 1.00 0.00 H new ATOM 0 HD12 ILE A 8 3.185 -6.965 -1.962 1.00 0.00 H new ATOM 0 HD13 ILE A 8 4.614 -8.001 -2.187 1.00 0.00 H new ATOM 158 N THR A 9 3.583 -7.058 3.155 1.00 0.00 N ATOM 159 CA THR A 9 2.429 -7.094 4.066 1.00 0.00 C ATOM 160 C THR A 9 2.441 -6.008 5.148 1.00 0.00 C ATOM 161 O THR A 9 1.371 -5.630 5.625 1.00 0.00 O ATOM 162 CB THR A 9 2.302 -8.476 4.729 1.00 0.00 C ATOM 163 OG1 THR A 9 3.560 -8.950 5.169 1.00 0.00 O ATOM 164 CG2 THR A 9 1.757 -9.517 3.751 1.00 0.00 C ATOM 0 H THR A 9 4.070 -7.954 3.121 1.00 0.00 H new ATOM 0 HA THR A 9 1.563 -6.892 3.435 1.00 0.00 H new ATOM 0 HB THR A 9 1.621 -8.346 5.570 1.00 0.00 H new ATOM 0 HG1 THR A 9 3.450 -9.829 5.588 1.00 0.00 H new ATOM 0 HG21 THR A 9 1.680 -10.482 4.252 1.00 0.00 H new ATOM 0 HG22 THR A 9 0.771 -9.209 3.404 1.00 0.00 H new ATOM 0 HG23 THR A 9 2.431 -9.604 2.899 1.00 0.00 H new ATOM 172 N ASN A 10 3.607 -5.468 5.523 1.00 0.00 N ATOM 173 CA ASN A 10 3.708 -4.353 6.472 1.00 0.00 C ATOM 174 C ASN A 10 3.137 -3.050 5.872 1.00 0.00 C ATOM 175 O ASN A 10 2.260 -2.419 6.464 1.00 0.00 O ATOM 176 CB ASN A 10 5.176 -4.189 6.906 1.00 0.00 C ATOM 177 CG ASN A 10 5.380 -2.983 7.811 1.00 0.00 C ATOM 178 OD1 ASN A 10 6.081 -2.038 7.475 1.00 0.00 O ATOM 179 ND2 ASN A 10 4.766 -2.956 8.973 1.00 0.00 N ATOM 0 H ASN A 10 4.509 -5.793 5.176 1.00 0.00 H new ATOM 0 HA ASN A 10 3.106 -4.576 7.353 1.00 0.00 H new ATOM 0 HB2 ASN A 10 5.501 -5.090 7.426 1.00 0.00 H new ATOM 0 HB3 ASN A 10 5.805 -4.087 6.021 1.00 0.00 H new ATOM 0 HD21 ASN A 10 4.875 -2.150 9.589 1.00 0.00 H new ATOM 0 HD22 ASN A 10 4.180 -3.741 9.259 1.00 0.00 H new ATOM 186 N TRP A 11 3.622 -2.656 4.690 1.00 0.00 N ATOM 187 CA TRP A 11 3.219 -1.435 3.979 1.00 0.00 C ATOM 188 C TRP A 11 2.085 -1.636 2.955 1.00 0.00 C ATOM 189 O TRP A 11 1.610 -0.665 2.366 1.00 0.00 O ATOM 190 CB TRP A 11 4.465 -0.754 3.393 1.00 0.00 C ATOM 191 CG TRP A 11 5.381 -1.609 2.573 1.00 0.00 C ATOM 192 CD1 TRP A 11 6.490 -2.227 3.038 1.00 0.00 C ATOM 193 CD2 TRP A 11 5.313 -1.920 1.150 1.00 0.00 C ATOM 194 NE1 TRP A 11 7.129 -2.875 1.996 1.00 0.00 N ATOM 195 CE2 TRP A 11 6.454 -2.703 0.805 1.00 0.00 C ATOM 196 CE3 TRP A 11 4.414 -1.601 0.111 1.00 0.00 C ATOM 197 CZ2 TRP A 11 6.700 -3.129 -0.510 1.00 0.00 C ATOM 198 CZ3 TRP A 11 4.636 -2.045 -1.206 1.00 0.00 C ATOM 199 CH2 TRP A 11 5.776 -2.806 -1.519 1.00 0.00 C ATOM 0 H TRP A 11 4.327 -3.193 4.185 1.00 0.00 H new ATOM 0 HA TRP A 11 2.766 -0.763 4.708 1.00 0.00 H new ATOM 0 HB2 TRP A 11 4.136 0.081 2.775 1.00 0.00 H new ATOM 0 HB3 TRP A 11 5.041 -0.333 4.217 1.00 0.00 H new ATOM 0 HD1 TRP A 11 6.825 -2.216 4.065 1.00 0.00 H new ATOM 0 HE1 TRP A 11 7.990 -3.412 2.096 1.00 0.00 H new ATOM 0 HE3 TRP A 11 3.540 -1.006 0.330 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 7.588 -3.698 -0.743 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 3.926 -1.799 -1.982 1.00 0.00 H new ATOM 0 HH2 TRP A 11 5.941 -3.142 -2.532 1.00 0.00 H new ATOM 210 N LEU A 12 1.567 -2.858 2.799 1.00 0.00 N ATOM 211 CA LEU A 12 0.417 -3.199 1.947 1.00 0.00 C ATOM 212 C LEU A 12 -0.830 -2.370 2.269 1.00 0.00 C ATOM 213 O LEU A 12 -1.654 -2.125 1.389 1.00 0.00 O ATOM 214 CB LEU A 12 0.059 -4.695 2.102 1.00 0.00 C ATOM 215 CG LEU A 12 0.443 -5.619 0.931 1.00 0.00 C ATOM 216 CD1 LEU A 12 -0.036 -7.052 1.214 1.00 0.00 C ATOM 217 CD2 LEU A 12 -0.175 -5.154 -0.395 1.00 0.00 C ATOM 0 H LEU A 12 1.951 -3.671 3.281 1.00 0.00 H new ATOM 0 HA LEU A 12 0.721 -2.975 0.924 1.00 0.00 H new ATOM 0 HB2 LEU A 12 0.542 -5.070 3.005 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -1.017 -4.774 2.260 1.00 0.00 H new ATOM 0 HG LEU A 12 1.529 -5.586 0.840 1.00 0.00 H new ATOM 0 HD11 LEU A 12 0.240 -7.699 0.381 1.00 0.00 H new ATOM 0 HD12 LEU A 12 0.432 -7.418 2.128 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -1.119 -7.056 1.334 1.00 0.00 H new ATOM 0 HD21 LEU A 12 0.122 -5.834 -1.193 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -1.262 -5.149 -0.308 1.00 0.00 H new ATOM 0 HD23 LEU A 12 0.175 -4.148 -0.627 1.00 0.00 H new ATOM 229 N TRP A 13 -0.969 -1.929 3.523 1.00 0.00 N ATOM 230 CA TRP A 13 -2.099 -1.109 3.952 1.00 0.00 C ATOM 231 C TRP A 13 -2.149 0.225 3.206 1.00 0.00 C ATOM 232 O TRP A 13 -3.201 0.600 2.692 1.00 0.00 O ATOM 233 CB TRP A 13 -2.053 -0.880 5.459 1.00 0.00 C ATOM 234 CG TRP A 13 -3.279 -0.183 5.958 1.00 0.00 C ATOM 235 CD1 TRP A 13 -4.499 -0.749 6.118 1.00 0.00 C ATOM 236 CD2 TRP A 13 -3.448 1.234 6.259 1.00 0.00 C ATOM 237 NE1 TRP A 13 -5.409 0.220 6.500 1.00 0.00 N ATOM 238 CE2 TRP A 13 -4.816 1.462 6.598 1.00 0.00 C ATOM 239 CE3 TRP A 13 -2.589 2.353 6.249 1.00 0.00 C ATOM 240 CZ2 TRP A 13 -5.303 2.737 6.923 1.00 0.00 C ATOM 241 CZ3 TRP A 13 -3.066 3.636 6.577 1.00 0.00 C ATOM 242 CH2 TRP A 13 -4.416 3.827 6.920 1.00 0.00 C ATOM 0 H TRP A 13 -0.301 -2.132 4.266 1.00 0.00 H new ATOM 0 HA TRP A 13 -3.011 -1.654 3.708 1.00 0.00 H new ATOM 0 HB2 TRP A 13 -1.948 -1.838 5.968 1.00 0.00 H new ATOM 0 HB3 TRP A 13 -1.172 -0.288 5.709 1.00 0.00 H new ATOM 0 HD1 TRP A 13 -4.726 -1.794 5.970 1.00 0.00 H new ATOM 0 HE1 TRP A 13 -6.395 0.039 6.686 1.00 0.00 H new ATOM 0 HE3 TRP A 13 -1.550 2.223 5.986 1.00 0.00 H new ATOM 0 HZ2 TRP A 13 -6.344 2.879 7.172 1.00 0.00 H new ATOM 0 HZ3 TRP A 13 -2.391 4.479 6.565 1.00 0.00 H new ATOM 0 HH2 TRP A 13 -4.772 4.813 7.181 1.00 0.00 H new ATOM 253 N TYR A 14 -1.011 0.915 3.087 1.00 0.00 N ATOM 254 CA TYR A 14 -0.896 2.153 2.309 1.00 0.00 C ATOM 255 C TYR A 14 -1.176 1.910 0.817 1.00 0.00 C ATOM 256 O TYR A 14 -1.712 2.788 0.143 1.00 0.00 O ATOM 257 CB TYR A 14 0.496 2.776 2.494 1.00 0.00 C ATOM 258 CG TYR A 14 0.948 2.883 3.941 1.00 0.00 C ATOM 259 CD1 TYR A 14 0.431 3.881 4.788 1.00 0.00 C ATOM 260 CD2 TYR A 14 1.869 1.949 4.445 1.00 0.00 C ATOM 261 CE1 TYR A 14 0.835 3.935 6.138 1.00 0.00 C ATOM 262 CE2 TYR A 14 2.267 1.985 5.793 1.00 0.00 C ATOM 263 CZ TYR A 14 1.751 2.984 6.646 1.00 0.00 C ATOM 264 OH TYR A 14 2.142 3.027 7.949 1.00 0.00 O ATOM 0 H TYR A 14 -0.138 0.629 3.530 1.00 0.00 H new ATOM 0 HA TYR A 14 -1.648 2.848 2.681 1.00 0.00 H new ATOM 0 HB2 TYR A 14 1.223 2.181 1.942 1.00 0.00 H new ATOM 0 HB3 TYR A 14 0.497 3.772 2.051 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -0.274 4.604 4.405 1.00 0.00 H new ATOM 0 HD2 TYR A 14 2.276 1.194 3.789 1.00 0.00 H new ATOM 0 HE1 TYR A 14 0.444 4.705 6.786 1.00 0.00 H new ATOM 0 HE2 TYR A 14 2.963 1.252 6.173 1.00 0.00 H new ATOM 0 HH TYR A 14 2.773 2.298 8.125 1.00 0.00 H new ATOM 274 N ILE A 15 -0.870 0.709 0.306 1.00 0.00 N ATOM 275 CA ILE A 15 -1.168 0.311 -1.081 1.00 0.00 C ATOM 276 C ILE A 15 -2.677 0.136 -1.287 1.00 0.00 C ATOM 277 O ILE A 15 -3.224 0.691 -2.235 1.00 0.00 O ATOM 278 CB ILE A 15 -0.375 -0.937 -1.525 1.00 0.00 C ATOM 279 CG1 ILE A 15 1.132 -0.827 -1.210 1.00 0.00 C ATOM 280 CG2 ILE A 15 -0.589 -1.207 -3.025 1.00 0.00 C ATOM 281 CD1 ILE A 15 1.836 0.426 -1.751 1.00 0.00 C ATOM 0 H ILE A 15 -0.405 -0.021 0.846 1.00 0.00 H new ATOM 0 HA ILE A 15 -0.834 1.123 -1.727 1.00 0.00 H new ATOM 0 HB ILE A 15 -0.761 -1.778 -0.949 1.00 0.00 H new ATOM 0 HG12 ILE A 15 1.261 -0.855 -0.128 1.00 0.00 H new ATOM 0 HG13 ILE A 15 1.634 -1.706 -1.614 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -0.023 -2.090 -3.320 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -1.649 -1.375 -3.217 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -0.247 -0.347 -3.602 1.00 0.00 H new ATOM 0 HD11 ILE A 15 2.889 0.400 -1.472 1.00 0.00 H new ATOM 0 HD12 ILE A 15 1.749 0.452 -2.837 1.00 0.00 H new ATOM 0 HD13 ILE A 15 1.370 1.316 -1.328 1.00 0.00 H new ATOM 293 N LYS A 16 -3.382 -0.587 -0.406 1.00 0.00 N ATOM 294 CA LYS A 16 -4.852 -0.707 -0.481 1.00 0.00 C ATOM 295 C LYS A 16 -5.552 0.633 -0.218 1.00 0.00 C ATOM 296 O LYS A 16 -6.500 0.973 -0.927 1.00 0.00 O ATOM 297 CB LYS A 16 -5.350 -1.850 0.420 1.00 0.00 C ATOM 298 CG LYS A 16 -5.340 -3.176 -0.371 1.00 0.00 C ATOM 299 CD LYS A 16 -4.596 -4.324 0.318 1.00 0.00 C ATOM 300 CE LYS A 16 -4.362 -5.431 -0.722 1.00 0.00 C ATOM 301 NZ LYS A 16 -4.010 -6.733 -0.100 1.00 0.00 N ATOM 0 H LYS A 16 -2.961 -1.100 0.369 1.00 0.00 H new ATOM 0 HA LYS A 16 -5.124 -0.974 -1.502 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -4.714 -1.936 1.301 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -6.358 -1.634 0.775 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -6.370 -3.484 -0.551 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -4.885 -2.999 -1.346 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -3.646 -3.974 0.722 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -5.178 -4.706 1.157 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -5.261 -5.552 -1.327 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -3.562 -5.127 -1.397 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -3.863 -7.445 -0.844 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -3.137 -6.628 0.456 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -4.783 -7.040 0.524 1.00 0.00 H new ATOM 315 N LEU A 17 -5.060 1.431 0.734 1.00 0.00 N ATOM 316 CA LEU A 17 -5.573 2.775 1.006 1.00 0.00 C ATOM 317 C LEU A 17 -5.333 3.736 -0.173 1.00 0.00 C ATOM 318 O LEU A 17 -6.166 4.608 -0.399 1.00 0.00 O ATOM 319 CB LEU A 17 -4.991 3.332 2.317 1.00 0.00 C ATOM 320 CG LEU A 17 -5.525 4.752 2.626 1.00 0.00 C ATOM 321 CD1 LEU A 17 -6.002 4.905 4.063 1.00 0.00 C ATOM 322 CD2 LEU A 17 -4.453 5.817 2.380 1.00 0.00 C ATOM 0 H LEU A 17 -4.288 1.159 1.342 1.00 0.00 H new ATOM 0 HA LEU A 17 -6.653 2.692 1.127 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -5.242 2.662 3.140 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -3.903 3.360 2.249 1.00 0.00 H new ATOM 0 HG LEU A 17 -6.370 4.892 1.952 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -6.365 5.921 4.220 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -6.809 4.198 4.256 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -5.175 4.706 4.744 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -4.860 6.802 2.606 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -3.594 5.623 3.022 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -4.141 5.785 1.336 1.00 0.00 H new ATOM 334 N PHE A 18 -4.271 3.570 -0.967 1.00 0.00 N ATOM 335 CA PHE A 18 -4.040 4.397 -2.158 1.00 0.00 C ATOM 336 C PHE A 18 -5.260 4.423 -3.093 1.00 0.00 C ATOM 337 O PHE A 18 -5.607 5.490 -3.580 1.00 0.00 O ATOM 338 CB PHE A 18 -2.762 3.982 -2.895 1.00 0.00 C ATOM 339 CG PHE A 18 -2.532 4.704 -4.211 1.00 0.00 C ATOM 340 CD1 PHE A 18 -2.645 6.107 -4.302 1.00 0.00 C ATOM 341 CD2 PHE A 18 -2.239 3.957 -5.368 1.00 0.00 C ATOM 342 CE1 PHE A 18 -2.444 6.756 -5.531 1.00 0.00 C ATOM 343 CE2 PHE A 18 -2.056 4.604 -6.603 1.00 0.00 C ATOM 344 CZ PHE A 18 -2.157 6.003 -6.680 1.00 0.00 C ATOM 0 H PHE A 18 -3.552 2.865 -0.805 1.00 0.00 H new ATOM 0 HA PHE A 18 -3.894 5.420 -1.810 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -1.907 4.161 -2.243 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -2.799 2.909 -3.085 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -2.887 6.685 -3.422 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -2.154 2.882 -5.307 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -2.510 7.832 -5.592 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -1.838 4.027 -7.490 1.00 0.00 H new ATOM 0 HZ PHE A 18 -2.013 6.501 -7.627 1.00 0.00 H new ATOM 354 N ILE A 19 -5.971 3.306 -3.281 1.00 0.00 N ATOM 355 CA ILE A 19 -7.213 3.262 -4.072 1.00 0.00 C ATOM 356 C ILE A 19 -8.387 3.976 -3.351 1.00 0.00 C ATOM 357 O ILE A 19 -9.262 4.565 -3.989 1.00 0.00 O ATOM 358 CB ILE A 19 -7.596 1.800 -4.413 1.00 0.00 C ATOM 359 CG1 ILE A 19 -6.550 1.042 -5.272 1.00 0.00 C ATOM 360 CG2 ILE A 19 -8.947 1.776 -5.151 1.00 0.00 C ATOM 361 CD1 ILE A 19 -5.330 0.517 -4.513 1.00 0.00 C ATOM 0 H ILE A 19 -5.704 2.403 -2.889 1.00 0.00 H new ATOM 0 HA ILE A 19 -7.022 3.801 -5.000 1.00 0.00 H new ATOM 0 HB ILE A 19 -7.648 1.282 -3.455 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -7.045 0.200 -5.756 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -6.205 1.707 -6.064 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -9.213 0.746 -5.389 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -9.717 2.212 -4.515 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -8.869 2.353 -6.072 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -4.663 0.004 -5.206 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -4.802 1.351 -4.052 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -5.655 -0.179 -3.740 1.00 0.00 H new ATOM 373 N MET A 20 -8.412 3.956 -2.019 1.00 0.00 N ATOM 374 CA MET A 20 -9.451 4.584 -1.192 1.00 0.00 C ATOM 375 C MET A 20 -9.339 6.120 -1.181 1.00 0.00 C ATOM 376 O MET A 20 -10.344 6.807 -1.374 1.00 0.00 O ATOM 377 CB MET A 20 -9.389 4.020 0.239 1.00 0.00 C ATOM 378 CG MET A 20 -9.670 2.509 0.291 1.00 0.00 C ATOM 379 SD MET A 20 -11.431 2.088 0.373 1.00 0.00 S ATOM 380 CE MET A 20 -11.658 2.186 2.172 1.00 0.00 C ATOM 0 H MET A 20 -7.692 3.491 -1.467 1.00 0.00 H new ATOM 0 HA MET A 20 -10.419 4.344 -1.633 1.00 0.00 H new ATOM 0 HB2 MET A 20 -8.404 4.217 0.661 1.00 0.00 H new ATOM 0 HB3 MET A 20 -10.114 4.542 0.863 1.00 0.00 H new ATOM 0 HG2 MET A 20 -9.235 2.039 -0.591 1.00 0.00 H new ATOM 0 HG3 MET A 20 -9.165 2.086 1.159 1.00 0.00 H new ATOM 0 HE1 MET A 20 -12.694 1.955 2.421 1.00 0.00 H new ATOM 0 HE2 MET A 20 -10.999 1.469 2.661 1.00 0.00 H new ATOM 0 HE3 MET A 20 -11.418 3.192 2.515 1.00 0.00 H new ATOM 390 N ILE A 21 -8.131 6.672 -0.985 1.00 0.00 N ATOM 391 CA ILE A 21 -7.864 8.126 -1.001 1.00 0.00 C ATOM 392 C ILE A 21 -8.145 8.759 -2.375 1.00 0.00 C ATOM 393 O ILE A 21 -8.768 9.821 -2.448 1.00 0.00 O ATOM 394 CB ILE A 21 -6.440 8.449 -0.475 1.00 0.00 C ATOM 395 CG1 ILE A 21 -6.214 9.974 -0.380 1.00 0.00 C ATOM 396 CG2 ILE A 21 -5.324 7.804 -1.308 1.00 0.00 C ATOM 397 CD1 ILE A 21 -4.921 10.361 0.350 1.00 0.00 C ATOM 0 H ILE A 21 -7.296 6.114 -0.808 1.00 0.00 H new ATOM 0 HA ILE A 21 -8.569 8.589 -0.310 1.00 0.00 H new ATOM 0 HB ILE A 21 -6.386 8.013 0.522 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -6.192 10.393 -1.386 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -7.061 10.427 0.135 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -4.355 8.070 -0.886 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -5.440 6.720 -1.295 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -5.383 8.163 -2.336 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -4.830 11.447 0.378 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -4.948 9.973 1.368 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -4.065 9.938 -0.177 1.00 0.00 H new ATOM 409 N VAL A 22 -7.732 8.107 -3.469 1.00 0.00 N ATOM 410 CA VAL A 22 -7.990 8.567 -4.848 1.00 0.00 C ATOM 411 C VAL A 22 -9.459 8.439 -5.264 1.00 0.00 C ATOM 412 O VAL A 22 -9.949 9.279 -6.016 1.00 0.00 O ATOM 413 CB VAL A 22 -7.117 7.820 -5.875 1.00 0.00 C ATOM 414 CG1 VAL A 22 -5.631 8.064 -5.652 1.00 0.00 C ATOM 415 CG2 VAL A 22 -7.400 6.326 -5.938 1.00 0.00 C ATOM 0 H VAL A 22 -7.203 7.236 -3.426 1.00 0.00 H new ATOM 0 HA VAL A 22 -7.728 9.625 -4.843 1.00 0.00 H new ATOM 0 HB VAL A 22 -7.397 8.241 -6.841 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -5.056 7.517 -6.400 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -5.420 9.130 -5.740 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -5.351 7.720 -4.656 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -6.750 5.864 -6.681 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -7.211 5.878 -4.962 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -8.441 6.164 -6.216 1.00 0.00 H new ATOM 425 N GLY A 23 -10.157 7.391 -4.811 1.00 0.00 N ATOM 426 CA GLY A 23 -11.490 6.975 -5.256 1.00 0.00 C ATOM 427 C GLY A 23 -11.611 6.867 -6.781 1.00 0.00 C ATOM 428 O GLY A 23 -11.278 5.836 -7.365 1.00 0.00 O ATOM 0 H GLY A 23 -9.786 6.778 -4.085 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -11.730 6.010 -4.810 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -12.228 7.689 -4.889 1.00 0.00 H new ATOM 432 N GLY A 24 -12.048 7.945 -7.437 1.00 0.00 N ATOM 433 CA GLY A 24 -12.176 8.032 -8.896 1.00 0.00 C ATOM 434 C GLY A 24 -10.845 8.179 -9.649 1.00 0.00 C ATOM 435 O GLY A 24 -10.758 7.762 -10.805 1.00 0.00 O ATOM 0 H GLY A 24 -12.329 8.801 -6.959 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -12.685 7.138 -9.256 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -12.813 8.882 -9.141 1.00 0.00 H new ATOM 439 N LEU A 25 -9.791 8.724 -9.018 1.00 0.00 N ATOM 440 CA LEU A 25 -8.480 8.921 -9.671 1.00 0.00 C ATOM 441 C LEU A 25 -7.639 7.625 -9.755 1.00 0.00 C ATOM 442 O LEU A 25 -6.524 7.653 -10.274 1.00 0.00 O ATOM 443 CB LEU A 25 -7.660 10.081 -9.047 1.00 0.00 C ATOM 444 CG LEU A 25 -8.423 11.282 -8.459 1.00 0.00 C ATOM 445 CD1 LEU A 25 -7.424 12.295 -7.900 1.00 0.00 C ATOM 446 CD2 LEU A 25 -9.311 11.982 -9.490 1.00 0.00 C ATOM 0 H LEU A 25 -9.820 9.039 -8.048 1.00 0.00 H new ATOM 0 HA LEU A 25 -8.720 9.210 -10.694 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -7.040 9.661 -8.255 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -6.984 10.460 -9.814 1.00 0.00 H new ATOM 0 HG LEU A 25 -9.071 10.895 -7.673 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -7.963 13.146 -7.483 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -6.828 11.825 -7.118 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -6.767 12.638 -8.700 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -9.824 12.820 -9.019 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -8.695 12.349 -10.311 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -10.047 11.276 -9.875 1.00 0.00 H new ATOM 458 N VAL A 26 -8.159 6.484 -9.273 1.00 0.00 N ATOM 459 CA VAL A 26 -7.491 5.164 -9.242 1.00 0.00 C ATOM 460 C VAL A 26 -6.910 4.730 -10.593 1.00 0.00 C ATOM 461 O VAL A 26 -5.830 4.140 -10.653 1.00 0.00 O ATOM 462 CB VAL A 26 -8.448 4.088 -8.678 1.00 0.00 C ATOM 463 CG1 VAL A 26 -9.659 3.781 -9.568 1.00 0.00 C ATOM 464 CG2 VAL A 26 -7.707 2.782 -8.392 1.00 0.00 C ATOM 0 H VAL A 26 -9.098 6.451 -8.876 1.00 0.00 H new ATOM 0 HA VAL A 26 -6.635 5.271 -8.576 1.00 0.00 H new ATOM 0 HB VAL A 26 -8.830 4.525 -7.755 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -10.274 3.016 -9.094 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -10.249 4.687 -9.705 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -9.316 3.421 -10.538 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -8.407 2.046 -7.997 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -7.266 2.405 -9.314 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -6.919 2.963 -7.661 1.00 0.00 H new ATOM 474 N LYS A 27 -7.604 5.064 -11.687 1.00 0.00 N ATOM 475 CA LYS A 27 -7.211 4.764 -13.073 1.00 0.00 C ATOM 476 C LYS A 27 -5.943 5.503 -13.543 1.00 0.00 C ATOM 477 O LYS A 27 -5.329 5.065 -14.520 1.00 0.00 O ATOM 478 CB LYS A 27 -8.399 5.077 -13.997 1.00 0.00 C ATOM 479 CG LYS A 27 -9.498 4.010 -13.862 1.00 0.00 C ATOM 480 CD LYS A 27 -10.814 4.368 -14.568 1.00 0.00 C ATOM 481 CE LYS A 27 -10.740 4.370 -16.104 1.00 0.00 C ATOM 482 NZ LYS A 27 -10.246 5.658 -16.663 1.00 0.00 N ATOM 0 H LYS A 27 -8.488 5.570 -11.632 1.00 0.00 H new ATOM 0 HA LYS A 27 -6.952 3.706 -13.116 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -8.807 6.057 -13.751 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -8.058 5.124 -15.031 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -9.126 3.069 -14.267 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -9.700 3.845 -12.804 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -11.582 3.660 -14.256 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -11.134 5.354 -14.232 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -10.084 3.563 -16.431 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -11.730 4.160 -16.510 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -10.706 5.838 -17.578 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -10.471 6.431 -16.005 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -9.216 5.606 -16.797 1.00 0.00 H new ATOM 496 N LYS A 28 -5.545 6.582 -12.851 1.00 0.00 N ATOM 497 CA LYS A 28 -4.490 7.552 -13.219 1.00 0.00 C ATOM 498 C LYS A 28 -4.504 7.926 -14.718 1.00 0.00 C ATOM 499 O LYS A 28 -3.432 7.984 -15.365 1.00 0.00 O ATOM 500 CB LYS A 28 -3.127 7.077 -12.677 1.00 0.00 C ATOM 501 CG LYS A 28 -3.099 7.109 -11.139 1.00 0.00 C ATOM 502 CD LYS A 28 -1.671 7.086 -10.586 1.00 0.00 C ATOM 503 CE LYS A 28 -1.018 5.702 -10.711 1.00 0.00 C ATOM 504 NZ LYS A 28 0.215 5.594 -9.883 1.00 0.00 N ATOM 505 OXT LYS A 28 -5.608 8.218 -15.235 1.00 0.00 O ATOM 0 H LYS A 28 -5.978 6.820 -11.959 1.00 0.00 H new ATOM 0 HA LYS A 28 -4.703 8.503 -12.731 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -2.927 6.064 -13.026 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -2.334 7.713 -13.071 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -3.609 8.006 -10.787 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -3.652 6.254 -10.749 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -1.066 7.820 -11.119 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -1.685 7.385 -9.538 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -1.730 4.936 -10.404 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -0.772 5.509 -11.755 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 0.626 4.645 -9.995 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 0.904 6.309 -10.192 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -0.023 5.753 -8.883 1.00 0.00 H new TER 519 LYS A 28