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+ 130:sc= 0.0463 (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=-0.00944 X(o=-0.0094,f=-0.19) USER MOD Single : A 9 THR OG1 : rot -43:sc= 0.259 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 -145:sc= 0 (180deg=-0.0112) USER MOD Single : A 27 LYS NZ :NH3+ -149:sc= 0 (180deg=-0.377) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 -10.329 9.419 -8.478 1.00 0.00 N ATOM 2 CA LYS A 1 -11.133 9.444 -9.734 1.00 0.00 C ATOM 3 C LYS A 1 -10.808 8.236 -10.622 1.00 0.00 C ATOM 4 O LYS A 1 -9.686 7.727 -10.578 1.00 0.00 O ATOM 5 CB LYS A 1 -10.983 10.789 -10.489 1.00 0.00 C ATOM 6 CG LYS A 1 -9.650 10.990 -11.246 1.00 0.00 C ATOM 7 CD LYS A 1 -9.116 12.431 -11.163 1.00 0.00 C ATOM 8 CE LYS A 1 -8.377 12.660 -9.835 1.00 0.00 C ATOM 9 NZ LYS A 1 -7.893 14.059 -9.703 1.00 0.00 N ATOM 0 H1 LYS A 1 -9.874 10.344 -8.338 1.00 0.00 H new ATOM 0 H2 LYS A 1 -10.952 9.214 -7.671 1.00 0.00 H new ATOM 0 H3 LYS A 1 -9.599 8.682 -8.548 1.00 0.00 H new ATOM 0 HA LYS A 1 -12.184 9.365 -9.456 1.00 0.00 H new ATOM 0 HB2 LYS A 1 -11.802 10.876 -11.203 1.00 0.00 H new ATOM 0 HB3 LYS A 1 -11.098 11.602 -9.772 1.00 0.00 H new ATOM 0 HG2 LYS A 1 -8.903 10.309 -10.839 1.00 0.00 H new ATOM 0 HG3 LYS A 1 -9.790 10.721 -12.293 1.00 0.00 H new ATOM 0 HD2 LYS A 1 -8.442 12.623 -11.998 1.00 0.00 H new ATOM 0 HD3 LYS A 1 -9.942 13.136 -11.252 1.00 0.00 H new ATOM 0 HE2 LYS A 1 -9.043 12.427 -9.004 1.00 0.00 H new ATOM 0 HE3 LYS A 1 -7.531 11.976 -9.768 1.00 0.00 H new ATOM 0 HZ1 LYS A 1 -7.400 14.172 -8.794 1.00 0.00 H new ATOM 0 HZ2 LYS A 1 -7.237 14.274 -10.481 1.00 0.00 H new ATOM 0 HZ3 LYS A 1 -8.702 14.711 -9.741 1.00 0.00 H new ATOM 25 N LYS A 2 -11.765 7.762 -11.430 1.00 0.00 N ATOM 26 CA LYS A 2 -11.553 6.672 -12.407 1.00 0.00 C ATOM 27 C LYS A 2 -10.618 7.103 -13.549 1.00 0.00 C ATOM 28 O LYS A 2 -10.814 8.166 -14.143 1.00 0.00 O ATOM 29 CB LYS A 2 -12.910 6.184 -12.958 1.00 0.00 C ATOM 30 CG LYS A 2 -13.542 5.157 -12.003 1.00 0.00 C ATOM 31 CD LYS A 2 -14.923 4.659 -12.455 1.00 0.00 C ATOM 32 CE LYS A 2 -16.019 5.699 -12.186 1.00 0.00 C ATOM 33 NZ LYS A 2 -17.375 5.134 -12.418 1.00 0.00 N ATOM 0 H LYS A 2 -12.719 8.124 -11.428 1.00 0.00 H new ATOM 0 HA LYS A 2 -11.065 5.846 -11.890 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -13.583 7.032 -13.087 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -12.770 5.736 -13.942 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -12.871 4.303 -11.907 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -13.633 5.603 -11.013 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -14.895 4.427 -13.520 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -15.164 3.733 -11.933 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -15.942 6.053 -11.158 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -15.868 6.564 -12.833 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -18.092 5.863 -12.227 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -17.456 4.819 -13.406 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -17.527 4.324 -11.783 1.00 0.00 H new ATOM 47 N LYS A 3 -9.623 6.262 -13.856 1.00 0.00 N ATOM 48 CA LYS A 3 -8.670 6.411 -14.974 1.00 0.00 C ATOM 49 C LYS A 3 -8.640 5.149 -15.842 1.00 0.00 C ATOM 50 O LYS A 3 -9.260 5.128 -16.906 1.00 0.00 O ATOM 51 CB LYS A 3 -7.268 6.827 -14.474 1.00 0.00 C ATOM 52 CG LYS A 3 -7.210 8.313 -14.082 1.00 0.00 C ATOM 53 CD LYS A 3 -5.772 8.856 -14.108 1.00 0.00 C ATOM 54 CE LYS A 3 -5.791 10.389 -14.046 1.00 0.00 C ATOM 55 NZ LYS A 3 -4.426 10.965 -14.181 1.00 0.00 N ATOM 0 H LYS A 3 -9.448 5.419 -13.309 1.00 0.00 H new ATOM 0 HA LYS A 3 -9.019 7.224 -15.611 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -6.994 6.215 -13.615 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -6.532 6.629 -15.254 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -7.830 8.893 -14.765 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -7.629 8.442 -13.084 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -5.208 8.456 -13.265 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -5.266 8.526 -15.015 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -6.429 10.777 -14.840 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -6.229 10.709 -13.100 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -4.481 12.002 -14.134 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -3.824 10.615 -13.409 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -4.018 10.681 -15.094 1.00 0.00 H new ATOM 69 N ASN A 4 -7.947 4.106 -15.386 1.00 0.00 N ATOM 70 CA ASN A 4 -7.801 2.800 -16.041 1.00 0.00 C ATOM 71 C ASN A 4 -7.689 1.681 -14.985 1.00 0.00 C ATOM 72 O ASN A 4 -7.494 1.969 -13.803 1.00 0.00 O ATOM 73 CB ASN A 4 -6.550 2.849 -16.959 1.00 0.00 C ATOM 74 CG ASN A 4 -6.857 2.588 -18.429 1.00 0.00 C ATOM 75 OD1 ASN A 4 -7.858 3.019 -18.982 1.00 0.00 O ATOM 76 ND2 ASN A 4 -5.996 1.881 -19.124 1.00 0.00 N ATOM 0 H ASN A 4 -7.443 4.149 -14.500 1.00 0.00 H new ATOM 0 HA ASN A 4 -8.679 2.580 -16.649 1.00 0.00 H new ATOM 0 HB2 ASN A 4 -6.079 3.827 -16.864 1.00 0.00 H new ATOM 0 HB3 ASN A 4 -5.827 2.111 -16.612 1.00 0.00 H new ATOM 0 HD21 ASN A 4 -6.167 1.698 -20.113 1.00 0.00 H new ATOM 0 HD22 ASN A 4 -5.156 1.515 -18.675 1.00 0.00 H new ATOM 83 N TRP A 5 -7.723 0.410 -15.409 1.00 0.00 N ATOM 84 CA TRP A 5 -7.563 -0.795 -14.564 1.00 0.00 C ATOM 85 C TRP A 5 -6.314 -0.789 -13.660 1.00 0.00 C ATOM 86 O TRP A 5 -6.280 -1.479 -12.640 1.00 0.00 O ATOM 87 CB TRP A 5 -7.545 -2.033 -15.472 1.00 0.00 C ATOM 88 CG TRP A 5 -6.325 -2.163 -16.339 1.00 0.00 C ATOM 89 CD1 TRP A 5 -6.151 -1.591 -17.554 1.00 0.00 C ATOM 90 CD2 TRP A 5 -5.087 -2.889 -16.057 1.00 0.00 C ATOM 91 NE1 TRP A 5 -4.891 -1.896 -18.033 1.00 0.00 N ATOM 92 CE2 TRP A 5 -4.191 -2.693 -17.151 1.00 0.00 C ATOM 93 CE3 TRP A 5 -4.628 -3.693 -14.989 1.00 0.00 C ATOM 94 CZ2 TRP A 5 -2.907 -3.257 -17.183 1.00 0.00 C ATOM 95 CZ3 TRP A 5 -3.343 -4.271 -15.014 1.00 0.00 C ATOM 96 CH2 TRP A 5 -2.482 -4.055 -16.106 1.00 0.00 C ATOM 0 H TRP A 5 -7.869 0.177 -16.391 1.00 0.00 H new ATOM 0 HA TRP A 5 -8.411 -0.809 -13.880 1.00 0.00 H new ATOM 0 HB2 TRP A 5 -7.627 -2.924 -14.849 1.00 0.00 H new ATOM 0 HB3 TRP A 5 -8.427 -2.009 -16.112 1.00 0.00 H new ATOM 0 HD1 TRP A 5 -6.884 -0.989 -18.070 1.00 0.00 H new ATOM 0 HE1 TRP A 5 -4.524 -1.572 -18.928 1.00 0.00 H new ATOM 0 HE3 TRP A 5 -5.272 -3.867 -14.140 1.00 0.00 H new ATOM 0 HZ2 TRP A 5 -2.253 -3.081 -18.024 1.00 0.00 H new ATOM 0 HZ3 TRP A 5 -3.016 -4.885 -14.188 1.00 0.00 H new ATOM 0 HH2 TRP A 5 -1.498 -4.501 -16.117 1.00 0.00 H new ATOM 107 N PHE A 6 -5.294 0.006 -13.999 1.00 0.00 N ATOM 108 CA PHE A 6 -4.086 0.203 -13.195 1.00 0.00 C ATOM 109 C PHE A 6 -4.398 0.800 -11.800 1.00 0.00 C ATOM 110 O PHE A 6 -3.621 0.632 -10.861 1.00 0.00 O ATOM 111 CB PHE A 6 -3.107 1.084 -13.989 1.00 0.00 C ATOM 112 CG PHE A 6 -1.642 0.792 -13.717 1.00 0.00 C ATOM 113 CD1 PHE A 6 -0.987 1.369 -12.612 1.00 0.00 C ATOM 114 CD2 PHE A 6 -0.927 -0.059 -14.583 1.00 0.00 C ATOM 115 CE1 PHE A 6 0.370 1.091 -12.370 1.00 0.00 C ATOM 116 CE2 PHE A 6 0.433 -0.331 -14.346 1.00 0.00 C ATOM 117 CZ PHE A 6 1.082 0.243 -13.239 1.00 0.00 C ATOM 0 H PHE A 6 -5.287 0.545 -14.865 1.00 0.00 H new ATOM 0 HA PHE A 6 -3.627 -0.767 -13.001 1.00 0.00 H new ATOM 0 HB2 PHE A 6 -3.300 0.953 -15.054 1.00 0.00 H new ATOM 0 HB3 PHE A 6 -3.306 2.130 -13.756 1.00 0.00 H new ATOM 0 HD1 PHE A 6 -1.528 2.027 -11.948 1.00 0.00 H new ATOM 0 HD2 PHE A 6 -1.425 -0.504 -15.432 1.00 0.00 H new ATOM 0 HE1 PHE A 6 0.866 1.529 -11.516 1.00 0.00 H new ATOM 0 HE2 PHE A 6 0.978 -0.981 -15.015 1.00 0.00 H new ATOM 0 HZ PHE A 6 2.126 0.034 -13.056 1.00 0.00 H new ATOM 127 N ASP A 7 -5.554 1.455 -11.618 1.00 0.00 N ATOM 128 CA ASP A 7 -5.998 1.968 -10.311 1.00 0.00 C ATOM 129 C ASP A 7 -6.245 0.846 -9.278 1.00 0.00 C ATOM 130 O ASP A 7 -6.147 1.080 -8.073 1.00 0.00 O ATOM 131 CB ASP A 7 -7.224 2.887 -10.470 1.00 0.00 C ATOM 132 CG ASP A 7 -8.587 2.175 -10.364 1.00 0.00 C ATOM 133 OD1 ASP A 7 -8.857 1.228 -11.138 1.00 0.00 O ATOM 134 OD2 ASP A 7 -9.407 2.582 -9.506 1.00 0.00 O ATOM 0 H ASP A 7 -6.211 1.645 -12.375 1.00 0.00 H new ATOM 0 HA ASP A 7 -5.180 2.566 -9.908 1.00 0.00 H new ATOM 0 HB2 ASP A 7 -7.177 3.666 -9.709 1.00 0.00 H new ATOM 0 HB3 ASP A 7 -7.164 3.384 -11.438 1.00 0.00 H new ATOM 139 N ILE A 8 -6.504 -0.385 -9.735 1.00 0.00 N ATOM 140 CA ILE A 8 -6.656 -1.576 -8.891 1.00 0.00 C ATOM 141 C ILE A 8 -5.316 -1.965 -8.242 1.00 0.00 C ATOM 142 O ILE A 8 -5.274 -2.254 -7.044 1.00 0.00 O ATOM 143 CB ILE A 8 -7.264 -2.743 -9.707 1.00 0.00 C ATOM 144 CG1 ILE A 8 -8.614 -2.395 -10.384 1.00 0.00 C ATOM 145 CG2 ILE A 8 -7.443 -4.001 -8.843 1.00 0.00 C ATOM 146 CD1 ILE A 8 -9.717 -1.875 -9.449 1.00 0.00 C ATOM 0 H ILE A 8 -6.617 -0.585 -10.729 1.00 0.00 H new ATOM 0 HA ILE A 8 -7.348 -1.344 -8.081 1.00 0.00 H new ATOM 0 HB ILE A 8 -6.541 -2.937 -10.500 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -8.431 -1.643 -11.152 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -8.984 -3.286 -10.892 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -7.872 -4.800 -9.448 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -6.474 -4.318 -8.457 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -8.110 -3.779 -8.010 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -10.616 -1.664 -10.029 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -9.941 -2.630 -8.695 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -9.378 -0.962 -8.959 1.00 0.00 H new ATOM 158 N THR A 9 -4.202 -1.937 -8.988 1.00 0.00 N ATOM 159 CA THR A 9 -2.869 -2.264 -8.438 1.00 0.00 C ATOM 160 C THR A 9 -2.343 -1.197 -7.470 1.00 0.00 C ATOM 161 O THR A 9 -1.550 -1.509 -6.580 1.00 0.00 O ATOM 162 CB THR A 9 -1.811 -2.554 -9.518 1.00 0.00 C ATOM 163 OG1 THR A 9 -1.374 -1.376 -10.153 1.00 0.00 O ATOM 164 CG2 THR A 9 -2.311 -3.509 -10.604 1.00 0.00 C ATOM 0 H THR A 9 -4.193 -1.691 -9.978 1.00 0.00 H new ATOM 0 HA THR A 9 -3.032 -3.185 -7.879 1.00 0.00 H new ATOM 0 HB THR A 9 -0.987 -3.024 -8.980 1.00 0.00 H new ATOM 0 HG1 THR A 9 -2.145 -0.801 -10.341 1.00 0.00 H new ATOM 0 HG21 THR A 9 -1.520 -3.674 -11.336 1.00 0.00 H new ATOM 0 HG22 THR A 9 -2.591 -4.460 -10.151 1.00 0.00 H new ATOM 0 HG23 THR A 9 -3.179 -3.074 -11.100 1.00 0.00 H new ATOM 172 N ASN A 10 -2.827 0.048 -7.571 1.00 0.00 N ATOM 173 CA ASN A 10 -2.491 1.134 -6.647 1.00 0.00 C ATOM 174 C ASN A 10 -2.891 0.792 -5.191 1.00 0.00 C ATOM 175 O ASN A 10 -2.138 1.076 -4.257 1.00 0.00 O ATOM 176 CB ASN A 10 -3.146 2.429 -7.156 1.00 0.00 C ATOM 177 CG ASN A 10 -2.546 3.660 -6.499 1.00 0.00 C ATOM 178 OD1 ASN A 10 -3.073 4.212 -5.544 1.00 0.00 O ATOM 179 ND2 ASN A 10 -1.425 4.131 -6.999 1.00 0.00 N ATOM 0 H ASN A 10 -3.472 0.331 -8.309 1.00 0.00 H new ATOM 0 HA ASN A 10 -1.411 1.276 -6.622 1.00 0.00 H new ATOM 0 HB2 ASN A 10 -3.024 2.498 -8.237 1.00 0.00 H new ATOM 0 HB3 ASN A 10 -4.217 2.397 -6.958 1.00 0.00 H new ATOM 0 HD21 ASN A 10 -0.992 4.959 -6.590 1.00 0.00 H new ATOM 0 HD22 ASN A 10 -0.988 3.668 -7.796 1.00 0.00 H new ATOM 186 N TRP A 11 -4.042 0.132 -4.999 1.00 0.00 N ATOM 187 CA TRP A 11 -4.508 -0.357 -3.692 1.00 0.00 C ATOM 188 C TRP A 11 -3.603 -1.473 -3.144 1.00 0.00 C ATOM 189 O TRP A 11 -3.183 -1.413 -1.989 1.00 0.00 O ATOM 190 CB TRP A 11 -5.964 -0.832 -3.796 1.00 0.00 C ATOM 191 CG TRP A 11 -6.979 0.268 -3.866 1.00 0.00 C ATOM 192 CD1 TRP A 11 -7.626 0.690 -4.976 1.00 0.00 C ATOM 193 CD2 TRP A 11 -7.474 1.097 -2.771 1.00 0.00 C ATOM 194 NE1 TRP A 11 -8.489 1.720 -4.642 1.00 0.00 N ATOM 195 CE2 TRP A 11 -8.436 2.012 -3.295 1.00 0.00 C ATOM 196 CE3 TRP A 11 -7.207 1.169 -1.385 1.00 0.00 C ATOM 197 CZ2 TRP A 11 -9.100 2.947 -2.487 1.00 0.00 C ATOM 198 CZ3 TRP A 11 -7.866 2.105 -0.565 1.00 0.00 C ATOM 199 CH2 TRP A 11 -8.811 2.991 -1.111 1.00 0.00 C ATOM 0 H TRP A 11 -4.687 -0.081 -5.760 1.00 0.00 H new ATOM 0 HA TRP A 11 -4.457 0.471 -2.985 1.00 0.00 H new ATOM 0 HB2 TRP A 11 -6.065 -1.458 -4.683 1.00 0.00 H new ATOM 0 HB3 TRP A 11 -6.189 -1.461 -2.935 1.00 0.00 H new ATOM 0 HD1 TRP A 11 -7.491 0.286 -5.969 1.00 0.00 H new ATOM 0 HE1 TRP A 11 -9.090 2.203 -5.310 1.00 0.00 H new ATOM 0 HE3 TRP A 11 -6.485 0.495 -0.948 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 -9.824 3.624 -2.916 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 -7.644 2.142 0.491 1.00 0.00 H new ATOM 0 HH2 TRP A 11 -9.314 3.704 -0.475 1.00 0.00 H new ATOM 210 N LEU A 12 -3.256 -2.465 -3.975 1.00 0.00 N ATOM 211 CA LEU A 12 -2.315 -3.550 -3.643 1.00 0.00 C ATOM 212 C LEU A 12 -0.959 -3.015 -3.158 1.00 0.00 C ATOM 213 O LEU A 12 -0.412 -3.521 -2.176 1.00 0.00 O ATOM 214 CB LEU A 12 -2.139 -4.468 -4.865 1.00 0.00 C ATOM 215 CG LEU A 12 -3.232 -5.549 -4.958 1.00 0.00 C ATOM 216 CD1 LEU A 12 -3.630 -5.798 -6.412 1.00 0.00 C ATOM 217 CD2 LEU A 12 -2.733 -6.862 -4.352 1.00 0.00 C ATOM 0 H LEU A 12 -3.630 -2.540 -4.921 1.00 0.00 H new ATOM 0 HA LEU A 12 -2.736 -4.123 -2.817 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -2.152 -3.865 -5.773 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -1.162 -4.948 -4.816 1.00 0.00 H new ATOM 0 HG LEU A 12 -4.100 -5.192 -4.404 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -4.403 -6.565 -6.451 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -4.012 -4.875 -6.848 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -2.759 -6.132 -6.976 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -3.516 -7.617 -4.425 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -1.851 -7.201 -4.895 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -2.477 -6.705 -3.304 1.00 0.00 H new ATOM 229 N TRP A 13 -0.444 -1.966 -3.806 1.00 0.00 N ATOM 230 CA TRP A 13 0.784 -1.287 -3.388 1.00 0.00 C ATOM 231 C TRP A 13 0.690 -0.772 -1.944 1.00 0.00 C ATOM 232 O TRP A 13 1.613 -0.983 -1.161 1.00 0.00 O ATOM 233 CB TRP A 13 1.134 -0.160 -4.371 1.00 0.00 C ATOM 234 CG TRP A 13 2.605 0.075 -4.534 1.00 0.00 C ATOM 235 CD1 TRP A 13 3.402 -0.645 -5.354 1.00 0.00 C ATOM 236 CD2 TRP A 13 3.475 1.057 -3.884 1.00 0.00 C ATOM 237 NE1 TRP A 13 4.702 -0.184 -5.262 1.00 0.00 N ATOM 238 CE2 TRP A 13 4.805 0.862 -4.370 1.00 0.00 C ATOM 239 CE3 TRP A 13 3.287 2.093 -2.941 1.00 0.00 C ATOM 240 CZ2 TRP A 13 5.888 1.646 -3.944 1.00 0.00 C ATOM 241 CZ3 TRP A 13 4.368 2.893 -2.514 1.00 0.00 C ATOM 242 CH2 TRP A 13 5.665 2.669 -3.008 1.00 0.00 C ATOM 0 H TRP A 13 -0.871 -1.562 -4.640 1.00 0.00 H new ATOM 0 HA TRP A 13 1.594 -2.016 -3.406 1.00 0.00 H new ATOM 0 HB2 TRP A 13 0.705 -0.395 -5.345 1.00 0.00 H new ATOM 0 HB3 TRP A 13 0.665 0.763 -4.031 1.00 0.00 H new ATOM 0 HD1 TRP A 13 3.073 -1.457 -5.985 1.00 0.00 H new ATOM 0 HE1 TRP A 13 5.486 -0.569 -5.788 1.00 0.00 H new ATOM 0 HE3 TRP A 13 2.300 2.275 -2.541 1.00 0.00 H new ATOM 0 HZ2 TRP A 13 6.880 1.465 -4.331 1.00 0.00 H new ATOM 0 HZ3 TRP A 13 4.197 3.685 -1.800 1.00 0.00 H new ATOM 0 HH2 TRP A 13 6.487 3.282 -2.669 1.00 0.00 H new ATOM 253 N TYR A 14 -0.440 -0.162 -1.560 1.00 0.00 N ATOM 254 CA TYR A 14 -0.672 0.344 -0.200 1.00 0.00 C ATOM 255 C TYR A 14 -0.747 -0.788 0.839 1.00 0.00 C ATOM 256 O TYR A 14 -0.185 -0.666 1.929 1.00 0.00 O ATOM 257 CB TYR A 14 -1.942 1.208 -0.158 1.00 0.00 C ATOM 258 CG TYR A 14 -1.931 2.224 0.974 1.00 0.00 C ATOM 259 CD1 TYR A 14 -2.232 1.832 2.294 1.00 0.00 C ATOM 260 CD2 TYR A 14 -1.577 3.561 0.705 1.00 0.00 C ATOM 261 CE1 TYR A 14 -2.167 2.771 3.344 1.00 0.00 C ATOM 262 CE2 TYR A 14 -1.518 4.505 1.750 1.00 0.00 C ATOM 263 CZ TYR A 14 -1.809 4.111 3.075 1.00 0.00 C ATOM 264 OH TYR A 14 -1.745 5.013 4.094 1.00 0.00 O ATOM 0 H TYR A 14 -1.226 -0.005 -2.191 1.00 0.00 H new ATOM 0 HA TYR A 14 0.185 0.963 0.066 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -2.051 1.731 -1.108 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -2.812 0.561 -0.050 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -2.513 0.810 2.502 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -1.350 3.864 -0.306 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -2.391 2.465 4.355 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -1.250 5.530 1.538 1.00 0.00 H new ATOM 0 HH TYR A 14 -1.484 5.889 3.740 1.00 0.00 H new ATOM 274 N ILE A 15 -1.401 -1.907 0.503 1.00 0.00 N ATOM 275 CA ILE A 15 -1.513 -3.091 1.372 1.00 0.00 C ATOM 276 C ILE A 15 -0.120 -3.621 1.755 1.00 0.00 C ATOM 277 O ILE A 15 0.172 -3.781 2.943 1.00 0.00 O ATOM 278 CB ILE A 15 -2.386 -4.186 0.713 1.00 0.00 C ATOM 279 CG1 ILE A 15 -3.844 -3.711 0.501 1.00 0.00 C ATOM 280 CG2 ILE A 15 -2.416 -5.453 1.591 1.00 0.00 C ATOM 281 CD1 ILE A 15 -4.562 -4.460 -0.633 1.00 0.00 C ATOM 0 H ILE A 15 -1.875 -2.019 -0.393 1.00 0.00 H new ATOM 0 HA ILE A 15 -2.014 -2.793 2.293 1.00 0.00 H new ATOM 0 HB ILE A 15 -1.937 -4.403 -0.256 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -4.402 -3.845 1.428 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -3.844 -2.644 0.281 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -3.034 -6.213 1.113 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -1.402 -5.835 1.714 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -2.833 -5.209 2.568 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -5.579 -4.082 -0.732 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -4.025 -4.305 -1.569 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -4.592 -5.525 -0.404 1.00 0.00 H new ATOM 293 N LYS A 16 0.761 -3.868 0.774 1.00 0.00 N ATOM 294 CA LYS A 16 2.142 -4.320 1.040 1.00 0.00 C ATOM 295 C LYS A 16 3.010 -3.242 1.704 1.00 0.00 C ATOM 296 O LYS A 16 3.795 -3.554 2.601 1.00 0.00 O ATOM 297 CB LYS A 16 2.798 -4.870 -0.234 1.00 0.00 C ATOM 298 CG LYS A 16 2.042 -6.104 -0.767 1.00 0.00 C ATOM 299 CD LYS A 16 2.948 -7.041 -1.588 1.00 0.00 C ATOM 300 CE LYS A 16 2.996 -8.463 -1.004 1.00 0.00 C ATOM 301 NZ LYS A 16 1.786 -9.258 -1.350 1.00 0.00 N ATOM 0 H LYS A 16 0.543 -3.763 -0.217 1.00 0.00 H new ATOM 0 HA LYS A 16 2.069 -5.133 1.762 1.00 0.00 H new ATOM 0 HB2 LYS A 16 2.817 -4.094 -0.999 1.00 0.00 H new ATOM 0 HB3 LYS A 16 3.834 -5.138 -0.026 1.00 0.00 H new ATOM 0 HG2 LYS A 16 1.618 -6.657 0.071 1.00 0.00 H new ATOM 0 HG3 LYS A 16 1.208 -5.775 -1.387 1.00 0.00 H new ATOM 0 HD2 LYS A 16 2.587 -7.084 -2.615 1.00 0.00 H new ATOM 0 HD3 LYS A 16 3.957 -6.630 -1.622 1.00 0.00 H new ATOM 0 HE2 LYS A 16 3.883 -8.976 -1.375 1.00 0.00 H new ATOM 0 HE3 LYS A 16 3.092 -8.405 0.080 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 1.864 -10.208 -0.935 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 0.940 -8.784 -0.974 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 1.707 -9.338 -2.384 1.00 0.00 H new ATOM 315 N LEU A 17 2.838 -1.973 1.323 1.00 0.00 N ATOM 316 CA LEU A 17 3.512 -0.820 1.933 1.00 0.00 C ATOM 317 C LEU A 17 3.218 -0.711 3.441 1.00 0.00 C ATOM 318 O LEU A 17 4.128 -0.429 4.218 1.00 0.00 O ATOM 319 CB LEU A 17 3.091 0.454 1.178 1.00 0.00 C ATOM 320 CG LEU A 17 3.660 1.766 1.739 1.00 0.00 C ATOM 321 CD1 LEU A 17 5.162 1.897 1.481 1.00 0.00 C ATOM 322 CD2 LEU A 17 2.932 2.956 1.116 1.00 0.00 C ATOM 0 H LEU A 17 2.211 -1.711 0.563 1.00 0.00 H new ATOM 0 HA LEU A 17 4.591 -0.952 1.847 1.00 0.00 H new ATOM 0 HB2 LEU A 17 3.400 0.359 0.137 1.00 0.00 H new ATOM 0 HB3 LEU A 17 2.003 0.517 1.183 1.00 0.00 H new ATOM 0 HG LEU A 17 3.505 1.754 2.818 1.00 0.00 H new ATOM 0 HD11 LEU A 17 5.521 2.839 1.895 1.00 0.00 H new ATOM 0 HD12 LEU A 17 5.687 1.068 1.957 1.00 0.00 H new ATOM 0 HD13 LEU A 17 5.350 1.877 0.408 1.00 0.00 H new ATOM 0 HD21 LEU A 17 3.340 3.883 1.518 1.00 0.00 H new ATOM 0 HD22 LEU A 17 3.066 2.939 0.034 1.00 0.00 H new ATOM 0 HD23 LEU A 17 1.869 2.896 1.350 1.00 0.00 H new ATOM 334 N PHE A 18 1.982 -0.977 3.875 1.00 0.00 N ATOM 335 CA PHE A 18 1.612 -0.990 5.295 1.00 0.00 C ATOM 336 C PHE A 18 2.484 -1.956 6.114 1.00 0.00 C ATOM 337 O PHE A 18 2.979 -1.584 7.177 1.00 0.00 O ATOM 338 CB PHE A 18 0.120 -1.319 5.443 1.00 0.00 C ATOM 339 CG PHE A 18 -0.393 -1.175 6.863 1.00 0.00 C ATOM 340 CD1 PHE A 18 -0.720 0.099 7.365 1.00 0.00 C ATOM 341 CD2 PHE A 18 -0.526 -2.306 7.693 1.00 0.00 C ATOM 342 CE1 PHE A 18 -1.191 0.243 8.683 1.00 0.00 C ATOM 343 CE2 PHE A 18 -0.998 -2.164 9.011 1.00 0.00 C ATOM 344 CZ PHE A 18 -1.336 -0.890 9.504 1.00 0.00 C ATOM 0 H PHE A 18 1.206 -1.190 3.249 1.00 0.00 H new ATOM 0 HA PHE A 18 1.794 0.006 5.699 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -0.455 -0.663 4.789 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -0.054 -2.340 5.104 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -0.609 0.970 6.736 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -0.265 -3.284 7.317 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -1.441 1.222 9.064 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -1.101 -3.033 9.644 1.00 0.00 H new ATOM 0 HZ PHE A 18 -1.707 -0.782 10.513 1.00 0.00 H new ATOM 354 N ILE A 19 2.738 -3.168 5.602 1.00 0.00 N ATOM 355 CA ILE A 19 3.619 -4.164 6.237 1.00 0.00 C ATOM 356 C ILE A 19 5.051 -3.620 6.383 1.00 0.00 C ATOM 357 O ILE A 19 5.658 -3.772 7.442 1.00 0.00 O ATOM 358 CB ILE A 19 3.605 -5.515 5.475 1.00 0.00 C ATOM 359 CG1 ILE A 19 2.161 -6.021 5.239 1.00 0.00 C ATOM 360 CG2 ILE A 19 4.417 -6.564 6.262 1.00 0.00 C ATOM 361 CD1 ILE A 19 2.072 -7.288 4.377 1.00 0.00 C ATOM 0 H ILE A 19 2.333 -3.491 4.723 1.00 0.00 H new ATOM 0 HA ILE A 19 3.228 -4.355 7.236 1.00 0.00 H new ATOM 0 HB ILE A 19 4.062 -5.359 4.498 1.00 0.00 H new ATOM 0 HG12 ILE A 19 1.695 -6.218 6.204 1.00 0.00 H new ATOM 0 HG13 ILE A 19 1.584 -5.229 4.762 1.00 0.00 H new ATOM 0 HG21 ILE A 19 4.405 -7.512 5.724 1.00 0.00 H new ATOM 0 HG22 ILE A 19 5.446 -6.221 6.370 1.00 0.00 H new ATOM 0 HG23 ILE A 19 3.975 -6.701 7.249 1.00 0.00 H new ATOM 0 HD11 ILE A 19 1.027 -7.576 4.260 1.00 0.00 H new ATOM 0 HD12 ILE A 19 2.506 -7.092 3.397 1.00 0.00 H new ATOM 0 HD13 ILE A 19 2.619 -8.097 4.861 1.00 0.00 H new ATOM 373 N MET A 20 5.585 -2.942 5.359 1.00 0.00 N ATOM 374 CA MET A 20 6.899 -2.280 5.409 1.00 0.00 C ATOM 375 C MET A 20 6.953 -1.151 6.455 1.00 0.00 C ATOM 376 O MET A 20 7.904 -1.090 7.237 1.00 0.00 O ATOM 377 CB MET A 20 7.277 -1.747 4.017 1.00 0.00 C ATOM 378 CG MET A 20 7.691 -2.870 3.054 1.00 0.00 C ATOM 379 SD MET A 20 9.452 -3.310 3.100 1.00 0.00 S ATOM 380 CE MET A 20 10.148 -1.907 2.177 1.00 0.00 C ATOM 0 H MET A 20 5.113 -2.835 4.461 1.00 0.00 H new ATOM 0 HA MET A 20 7.627 -3.030 5.718 1.00 0.00 H new ATOM 0 HB2 MET A 20 6.430 -1.205 3.596 1.00 0.00 H new ATOM 0 HB3 MET A 20 8.096 -1.034 4.114 1.00 0.00 H new ATOM 0 HG2 MET A 20 7.104 -3.759 3.283 1.00 0.00 H new ATOM 0 HG3 MET A 20 7.433 -2.570 2.038 1.00 0.00 H new ATOM 0 HE1 MET A 20 10.998 -2.247 1.585 1.00 0.00 H new ATOM 0 HE2 MET A 20 9.387 -1.493 1.515 1.00 0.00 H new ATOM 0 HE3 MET A 20 10.477 -1.139 2.877 1.00 0.00 H new ATOM 390 N ILE A 21 5.942 -0.270 6.500 1.00 0.00 N ATOM 391 CA ILE A 21 5.864 0.843 7.463 1.00 0.00 C ATOM 392 C ILE A 21 5.755 0.315 8.903 1.00 0.00 C ATOM 393 O ILE A 21 6.589 0.642 9.750 1.00 0.00 O ATOM 394 CB ILE A 21 4.680 1.783 7.122 1.00 0.00 C ATOM 395 CG1 ILE A 21 4.878 2.503 5.768 1.00 0.00 C ATOM 396 CG2 ILE A 21 4.510 2.832 8.238 1.00 0.00 C ATOM 397 CD1 ILE A 21 3.575 3.103 5.216 1.00 0.00 C ATOM 0 H ILE A 21 5.146 -0.309 5.863 1.00 0.00 H new ATOM 0 HA ILE A 21 6.784 1.422 7.389 1.00 0.00 H new ATOM 0 HB ILE A 21 3.785 1.165 7.044 1.00 0.00 H new ATOM 0 HG12 ILE A 21 5.616 3.296 5.888 1.00 0.00 H new ATOM 0 HG13 ILE A 21 5.284 1.798 5.043 1.00 0.00 H new ATOM 0 HG21 ILE A 21 3.677 3.491 7.994 1.00 0.00 H new ATOM 0 HG22 ILE A 21 4.310 2.328 9.184 1.00 0.00 H new ATOM 0 HG23 ILE A 21 5.423 3.420 8.327 1.00 0.00 H new ATOM 0 HD11 ILE A 21 3.776 3.595 4.264 1.00 0.00 H new ATOM 0 HD12 ILE A 21 2.843 2.309 5.067 1.00 0.00 H new ATOM 0 HD13 ILE A 21 3.181 3.831 5.925 1.00 0.00 H new ATOM 409 N VAL A 22 4.771 -0.546 9.187 1.00 0.00 N ATOM 410 CA VAL A 22 4.572 -1.136 10.524 1.00 0.00 C ATOM 411 C VAL A 22 5.752 -2.019 10.915 1.00 0.00 C ATOM 412 O VAL A 22 6.145 -2.006 12.075 1.00 0.00 O ATOM 413 CB VAL A 22 3.247 -1.911 10.619 1.00 0.00 C ATOM 414 CG1 VAL A 22 3.015 -2.530 12.005 1.00 0.00 C ATOM 415 CG2 VAL A 22 2.072 -0.953 10.377 1.00 0.00 C ATOM 0 H VAL A 22 4.087 -0.857 8.497 1.00 0.00 H new ATOM 0 HA VAL A 22 4.515 -0.311 11.234 1.00 0.00 H new ATOM 0 HB VAL A 22 3.307 -2.703 9.872 1.00 0.00 H new ATOM 0 HG11 VAL A 22 2.065 -3.064 12.011 1.00 0.00 H new ATOM 0 HG12 VAL A 22 3.823 -3.225 12.233 1.00 0.00 H new ATOM 0 HG13 VAL A 22 2.992 -1.741 12.757 1.00 0.00 H new ATOM 0 HG21 VAL A 22 1.134 -1.504 10.445 1.00 0.00 H new ATOM 0 HG22 VAL A 22 2.085 -0.164 11.129 1.00 0.00 H new ATOM 0 HG23 VAL A 22 2.162 -0.510 9.385 1.00 0.00 H new ATOM 425 N GLY A 23 6.395 -2.699 9.965 1.00 0.00 N ATOM 426 CA GLY A 23 7.580 -3.523 10.212 1.00 0.00 C ATOM 427 C GLY A 23 8.750 -2.773 10.877 1.00 0.00 C ATOM 428 O GLY A 23 9.575 -3.400 11.546 1.00 0.00 O ATOM 0 H GLY A 23 6.103 -2.693 8.988 1.00 0.00 H new ATOM 0 HA2 GLY A 23 7.297 -4.364 10.845 1.00 0.00 H new ATOM 0 HA3 GLY A 23 7.923 -3.938 9.264 1.00 0.00 H new ATOM 432 N GLY A 24 8.810 -1.442 10.728 1.00 0.00 N ATOM 433 CA GLY A 24 9.787 -0.553 11.372 1.00 0.00 C ATOM 434 C GLY A 24 9.202 0.349 12.471 1.00 0.00 C ATOM 435 O GLY A 24 9.952 0.801 13.337 1.00 0.00 O ATOM 0 H GLY A 24 8.154 -0.936 10.133 1.00 0.00 H new ATOM 0 HA2 GLY A 24 10.583 -1.160 11.804 1.00 0.00 H new ATOM 0 HA3 GLY A 24 10.245 0.076 10.609 1.00 0.00 H new ATOM 439 N LEU A 25 7.886 0.602 12.480 1.00 0.00 N ATOM 440 CA LEU A 25 7.201 1.388 13.521 1.00 0.00 C ATOM 441 C LEU A 25 6.719 0.560 14.727 1.00 0.00 C ATOM 442 O LEU A 25 6.639 1.096 15.830 1.00 0.00 O ATOM 443 CB LEU A 25 6.019 2.166 12.911 1.00 0.00 C ATOM 444 CG LEU A 25 6.406 3.336 11.984 1.00 0.00 C ATOM 445 CD1 LEU A 25 5.137 4.076 11.557 1.00 0.00 C ATOM 446 CD2 LEU A 25 7.324 4.353 12.667 1.00 0.00 C ATOM 0 H LEU A 25 7.256 0.262 11.754 1.00 0.00 H new ATOM 0 HA LEU A 25 7.950 2.078 13.910 1.00 0.00 H new ATOM 0 HB2 LEU A 25 5.399 1.469 12.348 1.00 0.00 H new ATOM 0 HB3 LEU A 25 5.405 2.556 13.723 1.00 0.00 H new ATOM 0 HG LEU A 25 6.937 2.906 11.135 1.00 0.00 H new ATOM 0 HD11 LEU A 25 5.403 4.905 10.901 1.00 0.00 H new ATOM 0 HD12 LEU A 25 4.477 3.390 11.026 1.00 0.00 H new ATOM 0 HD13 LEU A 25 4.626 4.461 12.439 1.00 0.00 H new ATOM 0 HD21 LEU A 25 7.564 5.154 11.968 1.00 0.00 H new ATOM 0 HD22 LEU A 25 6.820 4.771 13.538 1.00 0.00 H new ATOM 0 HD23 LEU A 25 8.243 3.859 12.982 1.00 0.00 H new ATOM 458 N VAL A 26 6.443 -0.740 14.568 1.00 0.00 N ATOM 459 CA VAL A 26 5.949 -1.632 15.643 1.00 0.00 C ATOM 460 C VAL A 26 6.913 -1.722 16.837 1.00 0.00 C ATOM 461 O VAL A 26 6.483 -1.881 17.981 1.00 0.00 O ATOM 462 CB VAL A 26 5.613 -3.028 15.074 1.00 0.00 C ATOM 463 CG1 VAL A 26 6.840 -3.848 14.649 1.00 0.00 C ATOM 464 CG2 VAL A 26 4.767 -3.867 16.035 1.00 0.00 C ATOM 0 H VAL A 26 6.556 -1.218 13.674 1.00 0.00 H new ATOM 0 HA VAL A 26 5.034 -1.188 16.034 1.00 0.00 H new ATOM 0 HB VAL A 26 5.035 -2.806 14.177 1.00 0.00 H new ATOM 0 HG11 VAL A 26 6.516 -4.814 14.261 1.00 0.00 H new ATOM 0 HG12 VAL A 26 7.386 -3.311 13.874 1.00 0.00 H new ATOM 0 HG13 VAL A 26 7.490 -4.003 15.510 1.00 0.00 H new ATOM 0 HG21 VAL A 26 4.560 -4.838 15.585 1.00 0.00 H new ATOM 0 HG22 VAL A 26 5.310 -4.009 16.969 1.00 0.00 H new ATOM 0 HG23 VAL A 26 3.827 -3.353 16.236 1.00 0.00 H new ATOM 474 N LYS A 27 8.218 -1.570 16.576 1.00 0.00 N ATOM 475 CA LYS A 27 9.303 -1.562 17.571 1.00 0.00 C ATOM 476 C LYS A 27 9.573 -0.190 18.215 1.00 0.00 C ATOM 477 O LYS A 27 10.274 -0.141 19.230 1.00 0.00 O ATOM 478 CB LYS A 27 10.573 -2.135 16.910 1.00 0.00 C ATOM 479 CG LYS A 27 11.237 -1.177 15.900 1.00 0.00 C ATOM 480 CD LYS A 27 12.511 -0.468 16.394 1.00 0.00 C ATOM 481 CE LYS A 27 13.770 -1.351 16.367 1.00 0.00 C ATOM 482 NZ LYS A 27 14.022 -2.054 17.654 1.00 0.00 N ATOM 0 H LYS A 27 8.563 -1.444 15.625 1.00 0.00 H new ATOM 0 HA LYS A 27 8.985 -2.187 18.405 1.00 0.00 H new ATOM 0 HB2 LYS A 27 11.295 -2.385 17.688 1.00 0.00 H new ATOM 0 HB3 LYS A 27 10.318 -3.065 16.401 1.00 0.00 H new ATOM 0 HG2 LYS A 27 11.482 -1.740 15.000 1.00 0.00 H new ATOM 0 HG3 LYS A 27 10.509 -0.418 15.613 1.00 0.00 H new ATOM 0 HD2 LYS A 27 12.685 0.414 15.778 1.00 0.00 H new ATOM 0 HD3 LYS A 27 12.347 -0.118 17.413 1.00 0.00 H new ATOM 0 HE2 LYS A 27 13.671 -2.089 15.571 1.00 0.00 H new ATOM 0 HE3 LYS A 27 14.634 -0.733 16.123 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 15.046 -2.182 17.785 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 13.640 -1.489 18.439 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 13.556 -2.984 17.639 1.00 0.00 H new ATOM 496 N LYS A 28 9.058 0.906 17.638 1.00 0.00 N ATOM 497 CA LYS A 28 9.246 2.296 18.096 1.00 0.00 C ATOM 498 C LYS A 28 7.952 3.134 18.036 1.00 0.00 C ATOM 499 O LYS A 28 7.841 4.077 17.220 1.00 0.00 O ATOM 500 CB LYS A 28 10.471 2.950 17.420 1.00 0.00 C ATOM 501 CG LYS A 28 10.474 2.979 15.878 1.00 0.00 C ATOM 502 CD LYS A 28 10.939 4.346 15.352 1.00 0.00 C ATOM 503 CE LYS A 28 11.221 4.297 13.844 1.00 0.00 C ATOM 504 NZ LYS A 28 12.610 4.730 13.527 1.00 0.00 N ATOM 505 OXT LYS A 28 7.055 2.864 18.868 1.00 0.00 O ATOM 0 H LYS A 28 8.474 0.848 16.804 1.00 0.00 H new ATOM 0 HA LYS A 28 9.480 2.263 19.160 1.00 0.00 H new ATOM 0 HB2 LYS A 28 10.552 3.976 17.780 1.00 0.00 H new ATOM 0 HB3 LYS A 28 11.366 2.423 17.753 1.00 0.00 H new ATOM 0 HG2 LYS A 28 11.131 2.197 15.498 1.00 0.00 H new ATOM 0 HG3 LYS A 28 9.473 2.764 15.505 1.00 0.00 H new ATOM 0 HD2 LYS A 28 10.175 5.096 15.557 1.00 0.00 H new ATOM 0 HD3 LYS A 28 11.840 4.655 15.883 1.00 0.00 H new ATOM 0 HE2 LYS A 28 11.064 3.283 13.478 1.00 0.00 H new ATOM 0 HE3 LYS A 28 10.512 4.938 13.321 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 12.762 4.683 12.499 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 12.752 5.707 13.854 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 13.287 4.103 14.006 1.00 0.00 H new TER 519 LYS A 28