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+ 132:sc= 0.0132 (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=-0.27) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 ASN : amide:sc=-0.00498 K(o=-0.005,f=-0.68) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 14.442 -6.922 13.691 1.00 0.00 N ATOM 2 CA LYS A 1 15.606 -7.188 12.796 1.00 0.00 C ATOM 3 C LYS A 1 15.298 -6.743 11.359 1.00 0.00 C ATOM 4 O LYS A 1 14.174 -6.933 10.889 1.00 0.00 O ATOM 5 CB LYS A 1 16.002 -8.688 12.827 1.00 0.00 C ATOM 6 CG LYS A 1 17.438 -8.959 12.333 1.00 0.00 C ATOM 7 CD LYS A 1 18.469 -8.927 13.473 1.00 0.00 C ATOM 8 CE LYS A 1 19.881 -8.689 12.920 1.00 0.00 C ATOM 9 NZ LYS A 1 20.926 -9.020 13.923 1.00 0.00 N ATOM 0 H1 LYS A 1 14.240 -7.770 14.259 1.00 0.00 H new ATOM 0 H2 LYS A 1 14.665 -6.127 14.323 1.00 0.00 H new ATOM 0 H3 LYS A 1 13.609 -6.684 13.116 1.00 0.00 H new ATOM 0 HA LYS A 1 16.451 -6.607 13.164 1.00 0.00 H new ATOM 0 HB2 LYS A 1 15.901 -9.061 13.846 1.00 0.00 H new ATOM 0 HB3 LYS A 1 15.302 -9.253 12.211 1.00 0.00 H new ATOM 0 HG2 LYS A 1 17.473 -9.932 11.843 1.00 0.00 H new ATOM 0 HG3 LYS A 1 17.707 -8.215 11.583 1.00 0.00 H new ATOM 0 HD2 LYS A 1 18.212 -8.138 14.180 1.00 0.00 H new ATOM 0 HD3 LYS A 1 18.442 -9.869 14.022 1.00 0.00 H new ATOM 0 HE2 LYS A 1 20.029 -9.295 12.026 1.00 0.00 H new ATOM 0 HE3 LYS A 1 19.983 -7.647 12.618 1.00 0.00 H new ATOM 0 HZ1 LYS A 1 21.867 -8.847 13.514 1.00 0.00 H new ATOM 0 HZ2 LYS A 1 20.800 -8.424 14.766 1.00 0.00 H new ATOM 0 HZ3 LYS A 1 20.844 -10.021 14.192 1.00 0.00 H new ATOM 25 N LYS A 2 16.294 -6.221 10.622 1.00 0.00 N ATOM 26 CA LYS A 2 16.198 -5.808 9.198 1.00 0.00 C ATOM 27 C LYS A 2 15.627 -6.881 8.258 1.00 0.00 C ATOM 28 O LYS A 2 14.986 -6.531 7.269 1.00 0.00 O ATOM 29 CB LYS A 2 17.573 -5.325 8.695 1.00 0.00 C ATOM 30 CG LYS A 2 17.964 -3.942 9.245 1.00 0.00 C ATOM 31 CD LYS A 2 17.305 -2.789 8.470 1.00 0.00 C ATOM 32 CE LYS A 2 17.714 -1.447 9.092 1.00 0.00 C ATOM 33 NZ LYS A 2 17.646 -0.335 8.106 1.00 0.00 N ATOM 0 H LYS A 2 17.225 -6.067 11.010 1.00 0.00 H new ATOM 0 HA LYS A 2 15.477 -4.991 9.173 1.00 0.00 H new ATOM 0 HB2 LYS A 2 18.334 -6.052 8.981 1.00 0.00 H new ATOM 0 HB3 LYS A 2 17.562 -5.287 7.606 1.00 0.00 H new ATOM 0 HG2 LYS A 2 17.679 -3.879 10.295 1.00 0.00 H new ATOM 0 HG3 LYS A 2 19.047 -3.831 9.202 1.00 0.00 H new ATOM 0 HD2 LYS A 2 17.607 -2.823 7.423 1.00 0.00 H new ATOM 0 HD3 LYS A 2 16.220 -2.896 8.493 1.00 0.00 H new ATOM 0 HE2 LYS A 2 17.061 -1.224 9.936 1.00 0.00 H new ATOM 0 HE3 LYS A 2 18.728 -1.523 9.484 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 17.930 0.554 8.565 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 18.288 -0.535 7.312 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 16.673 -0.246 7.750 1.00 0.00 H new ATOM 47 N LYS A 3 15.768 -8.172 8.589 1.00 0.00 N ATOM 48 CA LYS A 3 15.180 -9.305 7.845 1.00 0.00 C ATOM 49 C LYS A 3 13.659 -9.150 7.650 1.00 0.00 C ATOM 50 O LYS A 3 13.137 -9.477 6.585 1.00 0.00 O ATOM 51 CB LYS A 3 15.523 -10.616 8.579 1.00 0.00 C ATOM 52 CG LYS A 3 15.215 -11.854 7.718 1.00 0.00 C ATOM 53 CD LYS A 3 15.300 -13.153 8.528 1.00 0.00 C ATOM 54 CE LYS A 3 14.674 -14.296 7.716 1.00 0.00 C ATOM 55 NZ LYS A 3 14.541 -15.536 8.522 1.00 0.00 N ATOM 0 H LYS A 3 16.307 -8.470 9.402 1.00 0.00 H new ATOM 0 HA LYS A 3 15.610 -9.325 6.844 1.00 0.00 H new ATOM 0 HB2 LYS A 3 16.579 -10.615 8.849 1.00 0.00 H new ATOM 0 HB3 LYS A 3 14.956 -10.670 9.509 1.00 0.00 H new ATOM 0 HG2 LYS A 3 14.217 -11.759 7.290 1.00 0.00 H new ATOM 0 HG3 LYS A 3 15.916 -11.900 6.885 1.00 0.00 H new ATOM 0 HD2 LYS A 3 16.340 -13.383 8.761 1.00 0.00 H new ATOM 0 HD3 LYS A 3 14.779 -13.038 9.478 1.00 0.00 H new ATOM 0 HE2 LYS A 3 13.692 -13.990 7.355 1.00 0.00 H new ATOM 0 HE3 LYS A 3 15.288 -14.497 6.838 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 14.115 -16.285 7.939 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 15.481 -15.842 8.846 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 13.934 -15.351 9.346 1.00 0.00 H new ATOM 69 N ASN A 4 12.965 -8.599 8.654 1.00 0.00 N ATOM 70 CA ASN A 4 11.519 -8.345 8.648 1.00 0.00 C ATOM 71 C ASN A 4 11.141 -6.901 8.240 1.00 0.00 C ATOM 72 O ASN A 4 9.960 -6.554 8.218 1.00 0.00 O ATOM 73 CB ASN A 4 10.944 -8.728 10.028 1.00 0.00 C ATOM 74 CG ASN A 4 11.076 -10.211 10.352 1.00 0.00 C ATOM 75 OD1 ASN A 4 11.011 -11.086 9.498 1.00 0.00 O ATOM 76 ND2 ASN A 4 11.266 -10.557 11.605 1.00 0.00 N ATOM 0 H ASN A 4 13.411 -8.308 9.524 1.00 0.00 H new ATOM 0 HA ASN A 4 11.071 -8.969 7.875 1.00 0.00 H new ATOM 0 HB2 ASN A 4 11.454 -8.149 10.798 1.00 0.00 H new ATOM 0 HB3 ASN A 4 9.891 -8.449 10.064 1.00 0.00 H new ATOM 0 HD21 ASN A 4 11.357 -11.542 11.854 1.00 0.00 H new ATOM 0 HD22 ASN A 4 11.323 -9.841 12.329 1.00 0.00 H new ATOM 83 N TRP A 5 12.109 -6.037 7.905 1.00 0.00 N ATOM 84 CA TRP A 5 11.858 -4.651 7.471 1.00 0.00 C ATOM 85 C TRP A 5 11.204 -4.572 6.080 1.00 0.00 C ATOM 86 O TRP A 5 10.326 -3.741 5.844 1.00 0.00 O ATOM 87 CB TRP A 5 13.179 -3.872 7.493 1.00 0.00 C ATOM 88 CG TRP A 5 13.058 -2.393 7.309 1.00 0.00 C ATOM 89 CD1 TRP A 5 13.504 -1.688 6.243 1.00 0.00 C ATOM 90 CD2 TRP A 5 12.453 -1.421 8.214 1.00 0.00 C ATOM 91 NE1 TRP A 5 13.214 -0.348 6.426 1.00 0.00 N ATOM 92 CE2 TRP A 5 12.564 -0.127 7.623 1.00 0.00 C ATOM 93 CE3 TRP A 5 11.822 -1.502 9.475 1.00 0.00 C ATOM 94 CZ2 TRP A 5 12.069 1.027 8.248 1.00 0.00 C ATOM 95 CZ3 TRP A 5 11.320 -0.349 10.111 1.00 0.00 C ATOM 96 CH2 TRP A 5 11.441 0.913 9.500 1.00 0.00 C ATOM 0 H TRP A 5 13.099 -6.281 7.927 1.00 0.00 H new ATOM 0 HA TRP A 5 11.148 -4.205 8.167 1.00 0.00 H new ATOM 0 HB2 TRP A 5 13.677 -4.063 8.444 1.00 0.00 H new ATOM 0 HB3 TRP A 5 13.826 -4.266 6.709 1.00 0.00 H new ATOM 0 HD1 TRP A 5 14.007 -2.106 5.384 1.00 0.00 H new ATOM 0 HE1 TRP A 5 13.451 0.386 5.759 1.00 0.00 H new ATOM 0 HE3 TRP A 5 11.723 -2.462 9.959 1.00 0.00 H new ATOM 0 HZ2 TRP A 5 12.169 1.992 7.773 1.00 0.00 H new ATOM 0 HZ3 TRP A 5 10.839 -0.434 11.074 1.00 0.00 H new ATOM 0 HH2 TRP A 5 11.052 1.792 9.992 1.00 0.00 H new ATOM 107 N PHE A 6 11.592 -5.473 5.171 1.00 0.00 N ATOM 108 CA PHE A 6 11.058 -5.592 3.806 1.00 0.00 C ATOM 109 C PHE A 6 9.762 -6.435 3.715 1.00 0.00 C ATOM 110 O PHE A 6 9.381 -6.879 2.632 1.00 0.00 O ATOM 111 CB PHE A 6 12.172 -6.095 2.862 1.00 0.00 C ATOM 112 CG PHE A 6 12.349 -5.217 1.634 1.00 0.00 C ATOM 113 CD1 PHE A 6 11.467 -5.329 0.541 1.00 0.00 C ATOM 114 CD2 PHE A 6 13.374 -4.252 1.602 1.00 0.00 C ATOM 115 CE1 PHE A 6 11.606 -4.478 -0.571 1.00 0.00 C ATOM 116 CE2 PHE A 6 13.516 -3.404 0.488 1.00 0.00 C ATOM 117 CZ PHE A 6 12.630 -3.515 -0.598 1.00 0.00 C ATOM 0 H PHE A 6 12.313 -6.166 5.371 1.00 0.00 H new ATOM 0 HA PHE A 6 10.746 -4.599 3.481 1.00 0.00 H new ATOM 0 HB2 PHE A 6 13.113 -6.138 3.410 1.00 0.00 H new ATOM 0 HB3 PHE A 6 11.941 -7.112 2.545 1.00 0.00 H new ATOM 0 HD1 PHE A 6 10.682 -6.070 0.557 1.00 0.00 H new ATOM 0 HD2 PHE A 6 14.054 -4.162 2.436 1.00 0.00 H new ATOM 0 HE1 PHE A 6 10.925 -4.565 -1.405 1.00 0.00 H new ATOM 0 HE2 PHE A 6 14.306 -2.668 0.467 1.00 0.00 H new ATOM 0 HZ PHE A 6 12.736 -2.862 -1.451 1.00 0.00 H new ATOM 127 N ASP A 7 9.082 -6.683 4.842 1.00 0.00 N ATOM 128 CA ASP A 7 7.837 -7.460 4.955 1.00 0.00 C ATOM 129 C ASP A 7 6.694 -6.909 4.079 1.00 0.00 C ATOM 130 O ASP A 7 5.937 -6.019 4.480 1.00 0.00 O ATOM 131 CB ASP A 7 7.408 -7.555 6.434 1.00 0.00 C ATOM 132 CG ASP A 7 7.943 -8.793 7.184 1.00 0.00 C ATOM 133 OD1 ASP A 7 8.853 -9.492 6.679 1.00 0.00 O ATOM 134 OD2 ASP A 7 7.410 -9.096 8.279 1.00 0.00 O ATOM 0 H ASP A 7 9.399 -6.331 5.745 1.00 0.00 H new ATOM 0 HA ASP A 7 8.048 -8.459 4.574 1.00 0.00 H new ATOM 0 HB2 ASP A 7 7.746 -6.658 6.954 1.00 0.00 H new ATOM 0 HB3 ASP A 7 6.319 -7.561 6.482 1.00 0.00 H new ATOM 139 N ILE A 8 6.535 -7.478 2.877 1.00 0.00 N ATOM 140 CA ILE A 8 5.524 -7.086 1.881 1.00 0.00 C ATOM 141 C ILE A 8 4.080 -7.177 2.399 1.00 0.00 C ATOM 142 O ILE A 8 3.207 -6.492 1.874 1.00 0.00 O ATOM 143 CB ILE A 8 5.686 -7.858 0.554 1.00 0.00 C ATOM 144 CG1 ILE A 8 5.487 -9.380 0.731 1.00 0.00 C ATOM 145 CG2 ILE A 8 7.050 -7.526 -0.079 1.00 0.00 C ATOM 146 CD1 ILE A 8 5.377 -10.143 -0.595 1.00 0.00 C ATOM 0 H ILE A 8 7.124 -8.248 2.559 1.00 0.00 H new ATOM 0 HA ILE A 8 5.713 -6.031 1.684 1.00 0.00 H new ATOM 0 HB ILE A 8 4.899 -7.533 -0.126 1.00 0.00 H new ATOM 0 HG12 ILE A 8 6.322 -9.783 1.304 1.00 0.00 H new ATOM 0 HG13 ILE A 8 4.585 -9.554 1.317 1.00 0.00 H new ATOM 0 HG21 ILE A 8 7.160 -8.073 -1.015 1.00 0.00 H new ATOM 0 HG22 ILE A 8 7.109 -6.455 -0.275 1.00 0.00 H new ATOM 0 HG23 ILE A 8 7.848 -7.814 0.605 1.00 0.00 H new ATOM 0 HD11 ILE A 8 5.239 -11.205 -0.393 1.00 0.00 H new ATOM 0 HD12 ILE A 8 4.525 -9.767 -1.161 1.00 0.00 H new ATOM 0 HD13 ILE A 8 6.289 -9.999 -1.174 1.00 0.00 H new ATOM 158 N THR A 9 3.822 -7.958 3.455 1.00 0.00 N ATOM 159 CA THR A 9 2.508 -8.065 4.118 1.00 0.00 C ATOM 160 C THR A 9 1.990 -6.699 4.604 1.00 0.00 C ATOM 161 O THR A 9 0.789 -6.428 4.531 1.00 0.00 O ATOM 162 CB THR A 9 2.564 -9.096 5.262 1.00 0.00 C ATOM 163 OG1 THR A 9 1.264 -9.461 5.667 1.00 0.00 O ATOM 164 CG2 THR A 9 3.319 -8.620 6.507 1.00 0.00 C ATOM 0 H THR A 9 4.534 -8.548 3.885 1.00 0.00 H new ATOM 0 HA THR A 9 1.790 -8.418 3.378 1.00 0.00 H new ATOM 0 HB THR A 9 3.110 -9.941 4.843 1.00 0.00 H new ATOM 0 HG1 THR A 9 1.320 -10.117 6.393 1.00 0.00 H new ATOM 0 HG21 THR A 9 3.309 -9.407 7.261 1.00 0.00 H new ATOM 0 HG22 THR A 9 4.350 -8.386 6.240 1.00 0.00 H new ATOM 0 HG23 THR A 9 2.836 -7.728 6.907 1.00 0.00 H new ATOM 172 N ASN A 10 2.891 -5.798 5.031 1.00 0.00 N ATOM 173 CA ASN A 10 2.549 -4.429 5.422 1.00 0.00 C ATOM 174 C ASN A 10 2.492 -3.480 4.202 1.00 0.00 C ATOM 175 O ASN A 10 1.687 -2.552 4.180 1.00 0.00 O ATOM 176 CB ASN A 10 3.547 -3.953 6.496 1.00 0.00 C ATOM 177 CG ASN A 10 3.014 -2.820 7.372 1.00 0.00 C ATOM 178 OD1 ASN A 10 1.914 -2.311 7.222 1.00 0.00 O ATOM 179 ND2 ASN A 10 3.776 -2.410 8.360 1.00 0.00 N ATOM 0 H ASN A 10 3.886 -6.007 5.114 1.00 0.00 H new ATOM 0 HA ASN A 10 1.546 -4.414 5.849 1.00 0.00 H new ATOM 0 HB2 ASN A 10 3.813 -4.797 7.132 1.00 0.00 H new ATOM 0 HB3 ASN A 10 4.463 -3.622 6.007 1.00 0.00 H new ATOM 0 HD21 ASN A 10 3.446 -1.677 8.988 1.00 0.00 H new ATOM 0 HD22 ASN A 10 4.697 -2.825 8.499 1.00 0.00 H new ATOM 186 N TRP A 11 3.285 -3.734 3.150 1.00 0.00 N ATOM 187 CA TRP A 11 3.237 -2.964 1.897 1.00 0.00 C ATOM 188 C TRP A 11 1.847 -2.999 1.247 1.00 0.00 C ATOM 189 O TRP A 11 1.424 -2.000 0.666 1.00 0.00 O ATOM 190 CB TRP A 11 4.309 -3.437 0.912 1.00 0.00 C ATOM 191 CG TRP A 11 5.706 -2.979 1.198 1.00 0.00 C ATOM 192 CD1 TRP A 11 6.504 -3.382 2.215 1.00 0.00 C ATOM 193 CD2 TRP A 11 6.483 -2.001 0.448 1.00 0.00 C ATOM 194 NE1 TRP A 11 7.727 -2.738 2.126 1.00 0.00 N ATOM 195 CE2 TRP A 11 7.771 -1.881 1.046 1.00 0.00 C ATOM 196 CE3 TRP A 11 6.214 -1.201 -0.680 1.00 0.00 C ATOM 197 CZ2 TRP A 11 8.757 -1.024 0.531 1.00 0.00 C ATOM 198 CZ3 TRP A 11 7.194 -0.336 -1.208 1.00 0.00 C ATOM 199 CH2 TRP A 11 8.464 -0.250 -0.607 1.00 0.00 C ATOM 0 H TRP A 11 3.979 -4.481 3.144 1.00 0.00 H new ATOM 0 HA TRP A 11 3.446 -1.927 2.158 1.00 0.00 H new ATOM 0 HB2 TRP A 11 4.301 -4.527 0.892 1.00 0.00 H new ATOM 0 HB3 TRP A 11 4.033 -3.098 -0.086 1.00 0.00 H new ATOM 0 HD1 TRP A 11 6.229 -4.095 2.978 1.00 0.00 H new ATOM 0 HE1 TRP A 11 8.499 -2.880 2.778 1.00 0.00 H new ATOM 0 HE3 TRP A 11 5.242 -1.251 -1.148 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 9.727 -0.960 1.002 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 6.969 0.264 -2.078 1.00 0.00 H new ATOM 0 HH2 TRP A 11 9.213 0.410 -1.019 1.00 0.00 H new ATOM 210 N LEU A 12 1.101 -4.102 1.413 1.00 0.00 N ATOM 211 CA LEU A 12 -0.279 -4.252 0.931 1.00 0.00 C ATOM 212 C LEU A 12 -1.197 -3.124 1.436 1.00 0.00 C ATOM 213 O LEU A 12 -2.127 -2.738 0.732 1.00 0.00 O ATOM 214 CB LEU A 12 -0.875 -5.609 1.360 1.00 0.00 C ATOM 215 CG LEU A 12 -0.062 -6.867 1.015 1.00 0.00 C ATOM 216 CD1 LEU A 12 -0.844 -8.122 1.403 1.00 0.00 C ATOM 217 CD2 LEU A 12 0.315 -6.968 -0.463 1.00 0.00 C ATOM 0 H LEU A 12 1.448 -4.931 1.896 1.00 0.00 H new ATOM 0 HA LEU A 12 -0.228 -4.200 -0.157 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -1.025 -5.588 2.439 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -1.860 -5.706 0.904 1.00 0.00 H new ATOM 0 HG LEU A 12 0.864 -6.787 1.585 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -0.258 -9.007 1.154 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -1.044 -8.109 2.474 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -1.787 -8.146 0.858 1.00 0.00 H new ATOM 0 HD21 LEU A 12 0.887 -7.880 -0.631 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -0.591 -6.991 -1.069 1.00 0.00 H new ATOM 0 HD23 LEU A 12 0.918 -6.105 -0.744 1.00 0.00 H new ATOM 229 N TRP A 13 -0.924 -2.564 2.622 1.00 0.00 N ATOM 230 CA TRP A 13 -1.695 -1.463 3.207 1.00 0.00 C ATOM 231 C TRP A 13 -1.634 -0.200 2.351 1.00 0.00 C ATOM 232 O TRP A 13 -2.675 0.326 1.969 1.00 0.00 O ATOM 233 CB TRP A 13 -1.206 -1.173 4.626 1.00 0.00 C ATOM 234 CG TRP A 13 -2.064 -0.209 5.389 1.00 0.00 C ATOM 235 CD1 TRP A 13 -3.211 -0.519 6.035 1.00 0.00 C ATOM 236 CD2 TRP A 13 -1.876 1.229 5.570 1.00 0.00 C ATOM 237 NE1 TRP A 13 -3.744 0.623 6.605 1.00 0.00 N ATOM 238 CE2 TRP A 13 -2.960 1.730 6.353 1.00 0.00 C ATOM 239 CE3 TRP A 13 -0.904 2.164 5.150 1.00 0.00 C ATOM 240 CZ2 TRP A 13 -3.070 3.083 6.708 1.00 0.00 C ATOM 241 CZ3 TRP A 13 -1.006 3.526 5.496 1.00 0.00 C ATOM 242 CH2 TRP A 13 -2.082 3.986 6.277 1.00 0.00 C ATOM 0 H TRP A 13 -0.148 -2.869 3.210 1.00 0.00 H new ATOM 0 HA TRP A 13 -2.738 -1.776 3.244 1.00 0.00 H new ATOM 0 HB2 TRP A 13 -1.154 -2.111 5.179 1.00 0.00 H new ATOM 0 HB3 TRP A 13 -0.192 -0.777 4.574 1.00 0.00 H new ATOM 0 HD1 TRP A 13 -3.644 -1.506 6.096 1.00 0.00 H new ATOM 0 HE1 TRP A 13 -4.609 0.644 7.145 1.00 0.00 H new ATOM 0 HE3 TRP A 13 -0.068 1.829 4.553 1.00 0.00 H new ATOM 0 HZ2 TRP A 13 -3.902 3.426 7.304 1.00 0.00 H new ATOM 0 HZ3 TRP A 13 -0.252 4.222 5.159 1.00 0.00 H new ATOM 0 HH2 TRP A 13 -2.149 5.030 6.545 1.00 0.00 H new ATOM 253 N TYR A 14 -0.430 0.265 1.999 1.00 0.00 N ATOM 254 CA TYR A 14 -0.239 1.426 1.122 1.00 0.00 C ATOM 255 C TYR A 14 -0.828 1.194 -0.275 1.00 0.00 C ATOM 256 O TYR A 14 -1.380 2.121 -0.869 1.00 0.00 O ATOM 257 CB TYR A 14 1.251 1.773 1.003 1.00 0.00 C ATOM 258 CG TYR A 14 1.952 1.988 2.330 1.00 0.00 C ATOM 259 CD1 TYR A 14 1.834 3.215 3.012 1.00 0.00 C ATOM 260 CD2 TYR A 14 2.714 0.945 2.886 1.00 0.00 C ATOM 261 CE1 TYR A 14 2.483 3.394 4.250 1.00 0.00 C ATOM 262 CE2 TYR A 14 3.358 1.115 4.126 1.00 0.00 C ATOM 263 CZ TYR A 14 3.245 2.345 4.812 1.00 0.00 C ATOM 264 OH TYR A 14 3.867 2.528 6.009 1.00 0.00 O ATOM 0 H TYR A 14 0.444 -0.155 2.316 1.00 0.00 H new ATOM 0 HA TYR A 14 -0.771 2.261 1.578 1.00 0.00 H new ATOM 0 HB2 TYR A 14 1.756 0.971 0.465 1.00 0.00 H new ATOM 0 HB3 TYR A 14 1.354 2.676 0.401 1.00 0.00 H new ATOM 0 HD1 TYR A 14 1.248 4.016 2.587 1.00 0.00 H new ATOM 0 HD2 TYR A 14 2.806 0.007 2.358 1.00 0.00 H new ATOM 0 HE1 TYR A 14 2.398 4.336 4.771 1.00 0.00 H new ATOM 0 HE2 TYR A 14 3.936 0.308 4.551 1.00 0.00 H new ATOM 0 HH TYR A 14 4.348 1.711 6.256 1.00 0.00 H new ATOM 274 N ILE A 15 -0.759 -0.042 -0.789 1.00 0.00 N ATOM 275 CA ILE A 15 -1.354 -0.392 -2.092 1.00 0.00 C ATOM 276 C ILE A 15 -2.884 -0.333 -2.031 1.00 0.00 C ATOM 277 O ILE A 15 -3.510 0.255 -2.907 1.00 0.00 O ATOM 278 CB ILE A 15 -0.869 -1.766 -2.606 1.00 0.00 C ATOM 279 CG1 ILE A 15 0.668 -1.853 -2.742 1.00 0.00 C ATOM 280 CG2 ILE A 15 -1.540 -2.097 -3.952 1.00 0.00 C ATOM 281 CD1 ILE A 15 1.312 -0.895 -3.755 1.00 0.00 C ATOM 0 H ILE A 15 -0.295 -0.821 -0.322 1.00 0.00 H new ATOM 0 HA ILE A 15 -1.012 0.354 -2.810 1.00 0.00 H new ATOM 0 HB ILE A 15 -1.161 -2.502 -1.857 1.00 0.00 H new ATOM 0 HG12 ILE A 15 1.110 -1.666 -1.764 1.00 0.00 H new ATOM 0 HG13 ILE A 15 0.931 -2.874 -3.020 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -1.190 -3.068 -4.304 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -2.622 -2.127 -3.822 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -1.284 -1.332 -4.684 1.00 0.00 H new ATOM 0 HD11 ILE A 15 2.391 -1.046 -3.764 1.00 0.00 H new ATOM 0 HD12 ILE A 15 0.910 -1.092 -4.749 1.00 0.00 H new ATOM 0 HD13 ILE A 15 1.092 0.135 -3.473 1.00 0.00 H new ATOM 293 N LYS A 16 -3.507 -0.905 -0.996 1.00 0.00 N ATOM 294 CA LYS A 16 -4.967 -0.849 -0.792 1.00 0.00 C ATOM 295 C LYS A 16 -5.445 0.587 -0.529 1.00 0.00 C ATOM 296 O LYS A 16 -6.437 1.030 -1.109 1.00 0.00 O ATOM 297 CB LYS A 16 -5.357 -1.828 0.328 1.00 0.00 C ATOM 298 CG LYS A 16 -6.783 -2.392 0.186 1.00 0.00 C ATOM 299 CD LYS A 16 -7.699 -2.053 1.370 1.00 0.00 C ATOM 300 CE LYS A 16 -8.868 -3.047 1.407 1.00 0.00 C ATOM 301 NZ LYS A 16 -9.786 -2.782 2.545 1.00 0.00 N ATOM 0 H LYS A 16 -3.014 -1.424 -0.269 1.00 0.00 H new ATOM 0 HA LYS A 16 -5.476 -1.161 -1.704 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -4.648 -2.655 0.339 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -5.270 -1.321 1.289 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -7.229 -2.004 -0.730 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -6.727 -3.475 0.079 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -7.138 -2.099 2.303 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -8.075 -1.035 1.274 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -9.424 -2.988 0.471 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -8.479 -4.062 1.484 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -10.562 -3.475 2.534 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -9.262 -2.863 3.440 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -10.178 -1.823 2.459 1.00 0.00 H new ATOM 315 N LEU A 17 -4.706 1.337 0.294 1.00 0.00 N ATOM 316 CA LEU A 17 -4.948 2.751 0.600 1.00 0.00 C ATOM 317 C LEU A 17 -4.778 3.658 -0.629 1.00 0.00 C ATOM 318 O LEU A 17 -5.480 4.662 -0.711 1.00 0.00 O ATOM 319 CB LEU A 17 -4.044 3.203 1.760 1.00 0.00 C ATOM 320 CG LEU A 17 -4.292 4.672 2.171 1.00 0.00 C ATOM 321 CD1 LEU A 17 -4.481 4.815 3.677 1.00 0.00 C ATOM 322 CD2 LEU A 17 -3.133 5.577 1.746 1.00 0.00 C ATOM 0 H LEU A 17 -3.893 0.963 0.783 1.00 0.00 H new ATOM 0 HA LEU A 17 -5.989 2.848 0.907 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -4.213 2.556 2.621 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -3.000 3.082 1.470 1.00 0.00 H new ATOM 0 HG LEU A 17 -5.205 4.977 1.660 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -4.653 5.863 3.924 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -5.339 4.222 3.994 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -3.587 4.463 4.191 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -3.341 6.602 2.051 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -2.213 5.237 2.221 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -3.018 5.537 0.663 1.00 0.00 H new ATOM 334 N PHE A 18 -3.928 3.319 -1.606 1.00 0.00 N ATOM 335 CA PHE A 18 -3.793 4.086 -2.849 1.00 0.00 C ATOM 336 C PHE A 18 -5.158 4.331 -3.514 1.00 0.00 C ATOM 337 O PHE A 18 -5.424 5.453 -3.927 1.00 0.00 O ATOM 338 CB PHE A 18 -2.786 3.432 -3.810 1.00 0.00 C ATOM 339 CG PHE A 18 -2.695 4.066 -5.193 1.00 0.00 C ATOM 340 CD1 PHE A 18 -2.616 5.467 -5.355 1.00 0.00 C ATOM 341 CD2 PHE A 18 -2.693 3.242 -6.334 1.00 0.00 C ATOM 342 CE1 PHE A 18 -2.512 6.028 -6.639 1.00 0.00 C ATOM 343 CE2 PHE A 18 -2.601 3.804 -7.620 1.00 0.00 C ATOM 344 CZ PHE A 18 -2.504 5.198 -7.774 1.00 0.00 C ATOM 0 H PHE A 18 -3.315 2.505 -1.556 1.00 0.00 H new ATOM 0 HA PHE A 18 -3.390 5.065 -2.589 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -1.798 3.462 -3.350 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -3.051 2.381 -3.927 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -2.636 6.110 -4.488 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -2.763 2.170 -6.221 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -2.438 7.099 -6.754 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -2.605 3.164 -8.490 1.00 0.00 H new ATOM 0 HZ PHE A 18 -2.424 5.630 -8.761 1.00 0.00 H new ATOM 354 N ILE A 19 -6.064 3.344 -3.526 1.00 0.00 N ATOM 355 CA ILE A 19 -7.437 3.494 -4.038 1.00 0.00 C ATOM 356 C ILE A 19 -8.308 4.398 -3.131 1.00 0.00 C ATOM 357 O ILE A 19 -9.190 5.113 -3.607 1.00 0.00 O ATOM 358 CB ILE A 19 -8.102 2.108 -4.227 1.00 0.00 C ATOM 359 CG1 ILE A 19 -7.374 1.186 -5.241 1.00 0.00 C ATOM 360 CG2 ILE A 19 -9.560 2.290 -4.688 1.00 0.00 C ATOM 361 CD1 ILE A 19 -6.163 0.428 -4.688 1.00 0.00 C ATOM 0 H ILE A 19 -5.864 2.407 -3.177 1.00 0.00 H new ATOM 0 HA ILE A 19 -7.366 3.987 -5.007 1.00 0.00 H new ATOM 0 HB ILE A 19 -8.045 1.618 -3.255 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -8.091 0.460 -5.626 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -7.047 1.791 -6.087 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -10.025 1.313 -4.820 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -10.111 2.855 -3.937 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -9.578 2.831 -5.634 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -5.727 -0.186 -5.476 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -5.420 1.141 -4.331 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -6.479 -0.210 -3.863 1.00 0.00 H new ATOM 373 N MET A 20 -8.072 4.395 -1.819 1.00 0.00 N ATOM 374 CA MET A 20 -8.814 5.201 -0.838 1.00 0.00 C ATOM 375 C MET A 20 -8.453 6.695 -0.915 1.00 0.00 C ATOM 376 O MET A 20 -9.350 7.540 -0.917 1.00 0.00 O ATOM 377 CB MET A 20 -8.593 4.650 0.581 1.00 0.00 C ATOM 378 CG MET A 20 -9.012 3.176 0.714 1.00 0.00 C ATOM 379 SD MET A 20 -8.553 2.392 2.287 1.00 0.00 S ATOM 380 CE MET A 20 -9.842 3.051 3.379 1.00 0.00 C ATOM 0 H MET A 20 -7.344 3.820 -1.395 1.00 0.00 H new ATOM 0 HA MET A 20 -9.873 5.124 -1.084 1.00 0.00 H new ATOM 0 HB2 MET A 20 -7.540 4.750 0.846 1.00 0.00 H new ATOM 0 HB3 MET A 20 -9.159 5.251 1.293 1.00 0.00 H new ATOM 0 HG2 MET A 20 -10.093 3.108 0.592 1.00 0.00 H new ATOM 0 HG3 MET A 20 -8.563 2.610 -0.102 1.00 0.00 H new ATOM 0 HE1 MET A 20 -9.699 2.662 4.387 1.00 0.00 H new ATOM 0 HE2 MET A 20 -9.781 4.139 3.398 1.00 0.00 H new ATOM 0 HE3 MET A 20 -10.822 2.749 3.009 1.00 0.00 H new ATOM 390 N ILE A 21 -7.159 7.041 -1.005 1.00 0.00 N ATOM 391 CA ILE A 21 -6.681 8.435 -1.134 1.00 0.00 C ATOM 392 C ILE A 21 -7.110 9.081 -2.464 1.00 0.00 C ATOM 393 O ILE A 21 -7.552 10.231 -2.475 1.00 0.00 O ATOM 394 CB ILE A 21 -5.154 8.545 -0.879 1.00 0.00 C ATOM 395 CG1 ILE A 21 -4.604 9.989 -0.930 1.00 0.00 C ATOM 396 CG2 ILE A 21 -4.308 7.713 -1.852 1.00 0.00 C ATOM 397 CD1 ILE A 21 -5.207 10.928 0.119 1.00 0.00 C ATOM 0 H ILE A 21 -6.403 6.356 -0.990 1.00 0.00 H new ATOM 0 HA ILE A 21 -7.170 9.013 -0.350 1.00 0.00 H new ATOM 0 HB ILE A 21 -5.060 8.154 0.134 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -3.523 9.959 -0.796 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -4.791 10.402 -1.921 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -3.252 7.838 -1.614 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -4.578 6.661 -1.761 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -4.492 8.048 -2.873 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -4.768 11.920 0.015 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -6.285 10.992 -0.027 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -4.998 10.542 1.116 1.00 0.00 H new ATOM 409 N VAL A 22 -7.031 8.347 -3.581 1.00 0.00 N ATOM 410 CA VAL A 22 -7.483 8.822 -4.905 1.00 0.00 C ATOM 411 C VAL A 22 -9.006 8.946 -5.017 1.00 0.00 C ATOM 412 O VAL A 22 -9.489 9.847 -5.700 1.00 0.00 O ATOM 413 CB VAL A 22 -6.979 7.919 -6.048 1.00 0.00 C ATOM 414 CG1 VAL A 22 -5.460 7.917 -6.147 1.00 0.00 C ATOM 415 CG2 VAL A 22 -7.506 6.492 -5.971 1.00 0.00 C ATOM 0 H VAL A 22 -6.650 7.401 -3.597 1.00 0.00 H new ATOM 0 HA VAL A 22 -7.048 9.817 -5.003 1.00 0.00 H new ATOM 0 HB VAL A 22 -7.386 8.360 -6.958 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -5.150 7.268 -6.966 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -5.106 8.931 -6.334 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -5.035 7.551 -5.212 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -7.111 5.913 -6.806 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -7.190 6.037 -5.032 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -8.595 6.503 -6.020 1.00 0.00 H new ATOM 425 N GLY A 23 -9.761 8.040 -4.388 1.00 0.00 N ATOM 426 CA GLY A 23 -11.201 7.828 -4.573 1.00 0.00 C ATOM 427 C GLY A 23 -11.609 7.740 -6.048 1.00 0.00 C ATOM 428 O GLY A 23 -11.521 6.675 -6.662 1.00 0.00 O ATOM 0 H GLY A 23 -9.364 7.401 -3.700 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -11.496 6.910 -4.065 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -11.747 8.644 -4.099 1.00 0.00 H new ATOM 432 N GLY A 24 -12.016 8.867 -6.637 1.00 0.00 N ATOM 433 CA GLY A 24 -12.396 8.975 -8.050 1.00 0.00 C ATOM 434 C GLY A 24 -11.226 8.901 -9.041 1.00 0.00 C ATOM 435 O GLY A 24 -11.430 8.482 -10.183 1.00 0.00 O ATOM 0 H GLY A 24 -12.093 9.751 -6.134 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -13.102 8.178 -8.283 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -12.920 9.919 -8.199 1.00 0.00 H new ATOM 439 N LEU A 25 -9.996 9.257 -8.636 1.00 0.00 N ATOM 440 CA LEU A 25 -8.818 9.222 -9.529 1.00 0.00 C ATOM 441 C LEU A 25 -8.240 7.801 -9.724 1.00 0.00 C ATOM 442 O LEU A 25 -7.268 7.635 -10.458 1.00 0.00 O ATOM 443 CB LEU A 25 -7.710 10.226 -9.123 1.00 0.00 C ATOM 444 CG LEU A 25 -8.138 11.551 -8.468 1.00 0.00 C ATOM 445 CD1 LEU A 25 -6.902 12.366 -8.089 1.00 0.00 C ATOM 446 CD2 LEU A 25 -9.020 12.400 -9.384 1.00 0.00 C ATOM 0 H LEU A 25 -9.787 9.575 -7.690 1.00 0.00 H new ATOM 0 HA LEU A 25 -9.200 9.545 -10.497 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -7.034 9.717 -8.436 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -7.134 10.466 -10.017 1.00 0.00 H new ATOM 0 HG LEU A 25 -8.719 11.292 -7.583 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -7.212 13.303 -7.626 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -6.293 11.798 -7.386 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -6.318 12.580 -8.984 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -9.293 13.323 -8.873 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -8.473 12.639 -10.296 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -9.923 11.844 -9.637 1.00 0.00 H new ATOM 458 N VAL A 26 -8.832 6.764 -9.109 1.00 0.00 N ATOM 459 CA VAL A 26 -8.384 5.353 -9.168 1.00 0.00 C ATOM 460 C VAL A 26 -8.141 4.838 -10.593 1.00 0.00 C ATOM 461 O VAL A 26 -7.225 4.046 -10.829 1.00 0.00 O ATOM 462 CB VAL A 26 -9.377 4.441 -8.411 1.00 0.00 C ATOM 463 CG1 VAL A 26 -10.759 4.326 -9.069 1.00 0.00 C ATOM 464 CG2 VAL A 26 -8.810 3.035 -8.208 1.00 0.00 C ATOM 0 H VAL A 26 -9.666 6.884 -8.535 1.00 0.00 H new ATOM 0 HA VAL A 26 -7.413 5.320 -8.675 1.00 0.00 H new ATOM 0 HB VAL A 26 -9.515 4.936 -7.450 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -11.392 3.668 -8.473 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -11.217 5.313 -9.129 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -10.651 3.914 -10.073 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -9.536 2.424 -7.673 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -8.600 2.584 -9.178 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -7.889 3.094 -7.629 1.00 0.00 H new ATOM 474 N LYS A 27 -8.936 5.319 -11.554 1.00 0.00 N ATOM 475 CA LYS A 27 -8.890 4.932 -12.971 1.00 0.00 C ATOM 476 C LYS A 27 -7.677 5.497 -13.744 1.00 0.00 C ATOM 477 O LYS A 27 -7.412 5.042 -14.860 1.00 0.00 O ATOM 478 CB LYS A 27 -10.223 5.357 -13.618 1.00 0.00 C ATOM 479 CG LYS A 27 -10.684 4.382 -14.714 1.00 0.00 C ATOM 480 CD LYS A 27 -11.830 4.963 -15.554 1.00 0.00 C ATOM 481 CE LYS A 27 -13.130 5.125 -14.753 1.00 0.00 C ATOM 482 NZ LYS A 27 -14.155 5.867 -15.533 1.00 0.00 N ATOM 0 H LYS A 27 -9.657 6.015 -11.361 1.00 0.00 H new ATOM 0 HA LYS A 27 -8.757 3.851 -13.024 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -10.992 5.423 -12.848 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -10.114 6.354 -14.046 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -9.843 4.143 -15.364 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -11.008 3.448 -14.256 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -11.529 5.933 -15.950 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -12.014 4.313 -16.409 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -13.517 4.143 -14.481 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -12.923 5.655 -13.823 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -15.022 5.961 -14.966 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -13.793 6.812 -15.771 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -14.368 5.348 -16.408 1.00 0.00 H new ATOM 496 N LYS A 28 -6.949 6.477 -13.182 1.00 0.00 N ATOM 497 CA LYS A 28 -5.812 7.194 -13.797 1.00 0.00 C ATOM 498 C LYS A 28 -4.599 7.300 -12.850 1.00 0.00 C ATOM 499 O LYS A 28 -3.904 6.269 -12.695 1.00 0.00 O ATOM 500 CB LYS A 28 -6.259 8.536 -14.430 1.00 0.00 C ATOM 501 CG LYS A 28 -7.081 9.490 -13.535 1.00 0.00 C ATOM 502 CD LYS A 28 -8.601 9.281 -13.655 1.00 0.00 C ATOM 503 CE LYS A 28 -9.234 9.951 -14.884 1.00 0.00 C ATOM 504 NZ LYS A 28 -9.366 11.425 -14.719 1.00 0.00 N ATOM 505 OXT LYS A 28 -4.311 8.387 -12.300 1.00 0.00 O ATOM 0 H LYS A 28 -7.145 6.810 -12.238 1.00 0.00 H new ATOM 0 HA LYS A 28 -5.449 6.592 -14.630 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -5.368 9.067 -14.764 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -6.849 8.312 -15.319 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -6.783 9.349 -12.496 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -6.841 10.520 -13.798 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -8.808 8.211 -13.692 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -9.082 9.668 -12.756 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -8.626 9.739 -15.764 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -10.218 9.518 -15.064 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -9.798 11.833 -15.573 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -9.967 11.630 -13.896 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -8.425 11.844 -14.573 1.00 0.00 H new TER 519 LYS A 28