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+ -177:sc= 0 (180deg=-0.00778) 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+ 161:sc= -0.0172 (180deg=-0.181) USER MOD Single : A 4 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 ASN : amide:sc= -0.0133 X(o=-0.013,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 -164:sc= 0 (180deg=-0.319) 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 -14.929 6.674 -13.152 1.00 0.00 N ATOM 2 CA LYS A 1 -14.895 7.692 -14.245 1.00 0.00 C ATOM 3 C LYS A 1 -13.942 7.264 -15.374 1.00 0.00 C ATOM 4 O LYS A 1 -14.395 6.674 -16.355 1.00 0.00 O ATOM 5 CB LYS A 1 -14.577 9.119 -13.731 1.00 0.00 C ATOM 6 CG LYS A 1 -15.612 9.742 -12.777 1.00 0.00 C ATOM 7 CD LYS A 1 -16.965 10.050 -13.444 1.00 0.00 C ATOM 8 CE LYS A 1 -17.801 11.038 -12.613 1.00 0.00 C ATOM 9 NZ LYS A 1 -18.209 10.484 -11.294 1.00 0.00 N ATOM 0 H1 LYS A 1 -15.618 6.964 -12.429 1.00 0.00 H new ATOM 0 H2 LYS A 1 -15.207 5.752 -13.545 1.00 0.00 H new ATOM 0 H3 LYS A 1 -13.986 6.596 -12.721 1.00 0.00 H new ATOM 0 HA LYS A 1 -15.902 7.741 -14.659 1.00 0.00 H new ATOM 0 HB2 LYS A 1 -13.613 9.093 -13.222 1.00 0.00 H new ATOM 0 HB3 LYS A 1 -14.465 9.777 -14.593 1.00 0.00 H new ATOM 0 HG2 LYS A 1 -15.776 9.063 -11.940 1.00 0.00 H new ATOM 0 HG3 LYS A 1 -15.203 10.664 -12.364 1.00 0.00 H new ATOM 0 HD2 LYS A 1 -16.794 10.465 -14.437 1.00 0.00 H new ATOM 0 HD3 LYS A 1 -17.524 9.124 -13.577 1.00 0.00 H new ATOM 0 HE2 LYS A 1 -17.226 11.950 -12.456 1.00 0.00 H new ATOM 0 HE3 LYS A 1 -18.692 11.316 -13.176 1.00 0.00 H new ATOM 0 HZ1 LYS A 1 -18.769 11.192 -10.778 1.00 0.00 H new ATOM 0 HZ2 LYS A 1 -18.782 9.628 -11.439 1.00 0.00 H new ATOM 0 HZ3 LYS A 1 -17.361 10.243 -10.741 1.00 0.00 H new ATOM 25 N LYS A 2 -12.627 7.522 -15.242 1.00 0.00 N ATOM 26 CA LYS A 2 -11.573 7.265 -16.257 1.00 0.00 C ATOM 27 C LYS A 2 -10.498 6.257 -15.797 1.00 0.00 C ATOM 28 O LYS A 2 -9.458 6.102 -16.447 1.00 0.00 O ATOM 29 CB LYS A 2 -10.970 8.624 -16.690 1.00 0.00 C ATOM 30 CG LYS A 2 -10.614 8.673 -18.186 1.00 0.00 C ATOM 31 CD LYS A 2 -11.864 8.887 -19.057 1.00 0.00 C ATOM 32 CE LYS A 2 -11.527 8.690 -20.541 1.00 0.00 C ATOM 33 NZ LYS A 2 -12.672 8.104 -21.288 1.00 0.00 N ATOM 0 H LYS A 2 -12.248 7.934 -14.389 1.00 0.00 H new ATOM 0 HA LYS A 2 -12.034 6.778 -17.116 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -11.681 9.419 -16.465 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -10.074 8.822 -16.102 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -9.902 9.479 -18.365 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -10.123 7.744 -18.475 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -12.645 8.188 -18.760 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -12.258 9.891 -18.898 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -11.255 9.648 -20.984 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -10.659 8.038 -20.634 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -12.410 7.984 -22.287 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -12.915 7.178 -20.881 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -13.493 8.739 -21.219 1.00 0.00 H new ATOM 47 N LYS A 3 -10.730 5.591 -14.665 1.00 0.00 N ATOM 48 CA LYS A 3 -9.836 4.624 -14.000 1.00 0.00 C ATOM 49 C LYS A 3 -10.013 3.200 -14.551 1.00 0.00 C ATOM 50 O LYS A 3 -11.054 2.878 -15.135 1.00 0.00 O ATOM 51 CB LYS A 3 -10.123 4.638 -12.489 1.00 0.00 C ATOM 52 CG LYS A 3 -9.927 6.014 -11.831 1.00 0.00 C ATOM 53 CD LYS A 3 -8.465 6.498 -11.840 1.00 0.00 C ATOM 54 CE LYS A 3 -8.093 7.229 -10.542 1.00 0.00 C ATOM 55 NZ LYS A 3 -8.051 6.296 -9.382 1.00 0.00 N ATOM 0 H LYS A 3 -11.602 5.716 -14.150 1.00 0.00 H new ATOM 0 HA LYS A 3 -8.806 4.921 -14.197 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -11.148 4.308 -12.321 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -9.471 3.915 -11.998 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -10.547 6.746 -12.348 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -10.280 5.969 -10.801 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -7.801 5.644 -11.978 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -8.309 7.164 -12.689 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -7.121 7.709 -10.659 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -8.818 8.020 -10.348 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -7.501 6.725 -8.611 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -9.019 6.107 -9.053 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -7.603 5.403 -9.671 1.00 0.00 H new ATOM 69 N ASN A 4 -9.027 2.336 -14.321 1.00 0.00 N ATOM 70 CA ASN A 4 -9.024 0.906 -14.663 1.00 0.00 C ATOM 71 C ASN A 4 -8.298 0.087 -13.585 1.00 0.00 C ATOM 72 O ASN A 4 -7.561 0.643 -12.765 1.00 0.00 O ATOM 73 CB ASN A 4 -8.358 0.712 -16.048 1.00 0.00 C ATOM 74 CG ASN A 4 -9.288 1.056 -17.201 1.00 0.00 C ATOM 75 OD1 ASN A 4 -10.300 0.407 -17.422 1.00 0.00 O ATOM 76 ND2 ASN A 4 -8.968 2.058 -17.990 1.00 0.00 N ATOM 0 H ASN A 4 -8.160 2.625 -13.867 1.00 0.00 H new ATOM 0 HA ASN A 4 -10.052 0.547 -14.709 1.00 0.00 H new ATOM 0 HB2 ASN A 4 -7.466 1.336 -16.108 1.00 0.00 H new ATOM 0 HB3 ASN A 4 -8.031 -0.323 -16.147 1.00 0.00 H new ATOM 0 HD21 ASN A 4 -9.564 2.292 -18.784 1.00 0.00 H new ATOM 0 HD22 ASN A 4 -8.124 2.601 -17.808 1.00 0.00 H new ATOM 83 N TRP A 5 -8.435 -1.242 -13.616 1.00 0.00 N ATOM 84 CA TRP A 5 -7.738 -2.183 -12.720 1.00 0.00 C ATOM 85 C TRP A 5 -6.208 -1.997 -12.713 1.00 0.00 C ATOM 86 O TRP A 5 -5.562 -2.182 -11.680 1.00 0.00 O ATOM 87 CB TRP A 5 -8.112 -3.624 -13.102 1.00 0.00 C ATOM 88 CG TRP A 5 -7.605 -4.081 -14.439 1.00 0.00 C ATOM 89 CD1 TRP A 5 -8.290 -4.027 -15.605 1.00 0.00 C ATOM 90 CD2 TRP A 5 -6.291 -4.631 -14.769 1.00 0.00 C ATOM 91 NE1 TRP A 5 -7.484 -4.483 -16.633 1.00 0.00 N ATOM 92 CE2 TRP A 5 -6.236 -4.853 -16.177 1.00 0.00 C ATOM 93 CE3 TRP A 5 -5.130 -4.943 -14.024 1.00 0.00 C ATOM 94 CZ2 TRP A 5 -5.088 -5.345 -16.817 1.00 0.00 C ATOM 95 CZ3 TRP A 5 -3.972 -5.437 -14.656 1.00 0.00 C ATOM 96 CH2 TRP A 5 -3.948 -5.636 -16.048 1.00 0.00 C ATOM 0 H TRP A 5 -9.050 -1.711 -14.282 1.00 0.00 H new ATOM 0 HA TRP A 5 -8.068 -1.970 -11.703 1.00 0.00 H new ATOM 0 HB2 TRP A 5 -7.728 -4.298 -12.336 1.00 0.00 H new ATOM 0 HB3 TRP A 5 -9.198 -3.716 -13.092 1.00 0.00 H new ATOM 0 HD1 TRP A 5 -9.307 -3.682 -15.716 1.00 0.00 H new ATOM 0 HE1 TRP A 5 -7.777 -4.539 -17.608 1.00 0.00 H new ATOM 0 HE3 TRP A 5 -5.131 -4.800 -12.953 1.00 0.00 H new ATOM 0 HZ2 TRP A 5 -5.081 -5.498 -17.886 1.00 0.00 H new ATOM 0 HZ3 TRP A 5 -3.096 -5.665 -14.067 1.00 0.00 H new ATOM 0 HH2 TRP A 5 -3.055 -6.012 -16.525 1.00 0.00 H new ATOM 107 N PHE A 6 -5.636 -1.564 -13.843 1.00 0.00 N ATOM 108 CA PHE A 6 -4.213 -1.245 -14.002 1.00 0.00 C ATOM 109 C PHE A 6 -3.744 -0.077 -13.106 1.00 0.00 C ATOM 110 O PHE A 6 -2.561 0.013 -12.784 1.00 0.00 O ATOM 111 CB PHE A 6 -3.931 -0.977 -15.487 1.00 0.00 C ATOM 112 CG PHE A 6 -2.453 -0.926 -15.826 1.00 0.00 C ATOM 113 CD1 PHE A 6 -1.725 -2.124 -15.960 1.00 0.00 C ATOM 114 CD2 PHE A 6 -1.796 0.311 -15.975 1.00 0.00 C ATOM 115 CE1 PHE A 6 -0.345 -2.086 -16.235 1.00 0.00 C ATOM 116 CE2 PHE A 6 -0.416 0.349 -16.248 1.00 0.00 C ATOM 117 CZ PHE A 6 0.310 -0.849 -16.376 1.00 0.00 C ATOM 0 H PHE A 6 -6.170 -1.421 -14.701 1.00 0.00 H new ATOM 0 HA PHE A 6 -3.632 -2.104 -13.666 1.00 0.00 H new ATOM 0 HB2 PHE A 6 -4.405 -1.756 -16.084 1.00 0.00 H new ATOM 0 HB3 PHE A 6 -4.393 -0.031 -15.771 1.00 0.00 H new ATOM 0 HD1 PHE A 6 -2.227 -3.074 -15.852 1.00 0.00 H new ATOM 0 HD2 PHE A 6 -2.352 1.232 -15.880 1.00 0.00 H new ATOM 0 HE1 PHE A 6 0.211 -3.006 -16.338 1.00 0.00 H new ATOM 0 HE2 PHE A 6 0.086 1.299 -16.359 1.00 0.00 H new ATOM 0 HZ PHE A 6 1.370 -0.819 -16.582 1.00 0.00 H new ATOM 127 N ASP A 7 -4.654 0.804 -12.668 1.00 0.00 N ATOM 128 CA ASP A 7 -4.382 1.907 -11.732 1.00 0.00 C ATOM 129 C ASP A 7 -4.730 1.540 -10.274 1.00 0.00 C ATOM 130 O ASP A 7 -4.137 2.090 -9.346 1.00 0.00 O ATOM 131 CB ASP A 7 -5.144 3.173 -12.161 1.00 0.00 C ATOM 132 CG ASP A 7 -4.336 4.017 -13.159 1.00 0.00 C ATOM 133 OD1 ASP A 7 -3.320 4.628 -12.748 1.00 0.00 O ATOM 134 OD2 ASP A 7 -4.727 4.098 -14.348 1.00 0.00 O ATOM 0 H ASP A 7 -5.630 0.769 -12.963 1.00 0.00 H new ATOM 0 HA ASP A 7 -3.310 2.102 -11.768 1.00 0.00 H new ATOM 0 HB2 ASP A 7 -6.095 2.889 -12.612 1.00 0.00 H new ATOM 0 HB3 ASP A 7 -5.375 3.773 -11.281 1.00 0.00 H new ATOM 139 N ILE A 8 -5.630 0.576 -10.037 1.00 0.00 N ATOM 140 CA ILE A 8 -5.961 0.078 -8.684 1.00 0.00 C ATOM 141 C ILE A 8 -4.739 -0.550 -7.981 1.00 0.00 C ATOM 142 O ILE A 8 -4.616 -0.472 -6.757 1.00 0.00 O ATOM 143 CB ILE A 8 -7.162 -0.901 -8.739 1.00 0.00 C ATOM 144 CG1 ILE A 8 -8.427 -0.287 -9.387 1.00 0.00 C ATOM 145 CG2 ILE A 8 -7.525 -1.448 -7.345 1.00 0.00 C ATOM 146 CD1 ILE A 8 -8.913 1.041 -8.791 1.00 0.00 C ATOM 0 H ILE A 8 -6.155 0.114 -10.779 1.00 0.00 H new ATOM 0 HA ILE A 8 -6.256 0.936 -8.079 1.00 0.00 H new ATOM 0 HB ILE A 8 -6.824 -1.720 -9.374 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -8.230 -0.135 -10.448 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -9.237 -1.013 -9.314 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -8.371 -2.130 -7.431 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -6.670 -1.982 -6.930 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -7.791 -0.620 -6.687 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -9.804 1.375 -9.324 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -9.152 0.901 -7.737 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -8.129 1.792 -8.889 1.00 0.00 H new ATOM 158 N THR A 9 -3.782 -1.100 -8.736 1.00 0.00 N ATOM 159 CA THR A 9 -2.526 -1.655 -8.192 1.00 0.00 C ATOM 160 C THR A 9 -1.695 -0.632 -7.391 1.00 0.00 C ATOM 161 O THR A 9 -1.061 -0.986 -6.395 1.00 0.00 O ATOM 162 CB THR A 9 -1.704 -2.316 -9.315 1.00 0.00 C ATOM 163 OG1 THR A 9 -0.771 -3.224 -8.772 1.00 0.00 O ATOM 164 CG2 THR A 9 -0.941 -1.327 -10.199 1.00 0.00 C ATOM 0 H THR A 9 -3.853 -1.176 -9.751 1.00 0.00 H new ATOM 0 HA THR A 9 -2.804 -2.420 -7.467 1.00 0.00 H new ATOM 0 HB THR A 9 -2.438 -2.821 -9.943 1.00 0.00 H new ATOM 0 HG1 THR A 9 -0.257 -3.637 -9.497 1.00 0.00 H new ATOM 0 HG21 THR A 9 -0.389 -1.873 -10.964 1.00 0.00 H new ATOM 0 HG22 THR A 9 -1.646 -0.647 -10.677 1.00 0.00 H new ATOM 0 HG23 THR A 9 -0.244 -0.755 -9.587 1.00 0.00 H new ATOM 172 N ASN A 10 -1.754 0.661 -7.752 1.00 0.00 N ATOM 173 CA ASN A 10 -1.103 1.754 -7.022 1.00 0.00 C ATOM 174 C ASN A 10 -1.702 1.933 -5.615 1.00 0.00 C ATOM 175 O ASN A 10 -0.970 2.095 -4.640 1.00 0.00 O ATOM 176 CB ASN A 10 -1.227 3.037 -7.867 1.00 0.00 C ATOM 177 CG ASN A 10 -0.770 4.278 -7.120 1.00 0.00 C ATOM 178 OD1 ASN A 10 0.404 4.617 -7.076 1.00 0.00 O ATOM 179 ND2 ASN A 10 -1.691 4.991 -6.510 1.00 0.00 N ATOM 0 H ASN A 10 -2.266 0.978 -8.575 1.00 0.00 H new ATOM 0 HA ASN A 10 -0.050 1.519 -6.870 1.00 0.00 H new ATOM 0 HB2 ASN A 10 -0.636 2.927 -8.776 1.00 0.00 H new ATOM 0 HB3 ASN A 10 -2.265 3.165 -8.175 1.00 0.00 H new ATOM 0 HD21 ASN A 10 -1.428 5.832 -5.996 1.00 0.00 H new ATOM 0 HD22 ASN A 10 -2.669 4.703 -6.550 1.00 0.00 H new ATOM 186 N TRP A 11 -3.035 1.878 -5.506 1.00 0.00 N ATOM 187 CA TRP A 11 -3.752 1.949 -4.227 1.00 0.00 C ATOM 188 C TRP A 11 -3.393 0.776 -3.317 1.00 0.00 C ATOM 189 O TRP A 11 -3.115 0.994 -2.140 1.00 0.00 O ATOM 190 CB TRP A 11 -5.262 2.041 -4.462 1.00 0.00 C ATOM 191 CG TRP A 11 -5.699 3.371 -4.987 1.00 0.00 C ATOM 192 CD1 TRP A 11 -5.619 3.781 -6.274 1.00 0.00 C ATOM 193 CD2 TRP A 11 -6.237 4.499 -4.232 1.00 0.00 C ATOM 194 NE1 TRP A 11 -6.042 5.094 -6.359 1.00 0.00 N ATOM 195 CE2 TRP A 11 -6.465 5.576 -5.138 1.00 0.00 C ATOM 196 CE3 TRP A 11 -6.547 4.725 -2.872 1.00 0.00 C ATOM 197 CZ2 TRP A 11 -6.993 6.808 -4.723 1.00 0.00 C ATOM 198 CZ3 TRP A 11 -7.076 5.959 -2.442 1.00 0.00 C ATOM 199 CH2 TRP A 11 -7.305 6.997 -3.364 1.00 0.00 C ATOM 0 H TRP A 11 -3.653 1.782 -6.312 1.00 0.00 H new ATOM 0 HA TRP A 11 -3.437 2.857 -3.712 1.00 0.00 H new ATOM 0 HB2 TRP A 11 -5.561 1.264 -5.166 1.00 0.00 H new ATOM 0 HB3 TRP A 11 -5.781 1.839 -3.525 1.00 0.00 H new ATOM 0 HD1 TRP A 11 -5.279 3.178 -7.103 1.00 0.00 H new ATOM 0 HE1 TRP A 11 -6.041 5.640 -7.220 1.00 0.00 H new ATOM 0 HE3 TRP A 11 -6.376 3.940 -2.150 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 -7.158 7.601 -5.437 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 -7.307 6.109 -1.398 1.00 0.00 H new ATOM 0 HH2 TRP A 11 -7.719 7.937 -3.029 1.00 0.00 H new ATOM 210 N LEU A 12 -3.326 -0.445 -3.858 1.00 0.00 N ATOM 211 CA LEU A 12 -2.893 -1.643 -3.125 1.00 0.00 C ATOM 212 C LEU A 12 -1.512 -1.441 -2.475 1.00 0.00 C ATOM 213 O LEU A 12 -1.330 -1.735 -1.292 1.00 0.00 O ATOM 214 CB LEU A 12 -2.905 -2.865 -4.073 1.00 0.00 C ATOM 215 CG LEU A 12 -3.963 -3.934 -3.750 1.00 0.00 C ATOM 216 CD1 LEU A 12 -3.670 -4.648 -2.429 1.00 0.00 C ATOM 217 CD2 LEU A 12 -5.384 -3.365 -3.725 1.00 0.00 C ATOM 0 H LEU A 12 -3.574 -0.633 -4.829 1.00 0.00 H new ATOM 0 HA LEU A 12 -3.595 -1.827 -2.311 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -3.067 -2.513 -5.092 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -1.921 -3.332 -4.050 1.00 0.00 H new ATOM 0 HG LEU A 12 -3.904 -4.660 -4.561 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -4.442 -5.394 -2.240 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -2.698 -5.138 -2.488 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -3.661 -3.921 -1.617 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -6.091 -4.162 -3.492 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -5.451 -2.587 -2.965 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -5.623 -2.941 -4.700 1.00 0.00 H new ATOM 229 N TRP A 13 -0.561 -0.873 -3.227 1.00 0.00 N ATOM 230 CA TRP A 13 0.779 -0.522 -2.742 1.00 0.00 C ATOM 231 C TRP A 13 0.765 0.448 -1.548 1.00 0.00 C ATOM 232 O TRP A 13 1.583 0.310 -0.641 1.00 0.00 O ATOM 233 CB TRP A 13 1.629 0.028 -3.901 1.00 0.00 C ATOM 234 CG TRP A 13 2.971 -0.625 -4.041 1.00 0.00 C ATOM 235 CD1 TRP A 13 3.170 -1.889 -4.480 1.00 0.00 C ATOM 236 CD2 TRP A 13 4.299 -0.086 -3.751 1.00 0.00 C ATOM 237 NE1 TRP A 13 4.523 -2.174 -4.473 1.00 0.00 N ATOM 238 CE2 TRP A 13 5.265 -1.100 -4.029 1.00 0.00 C ATOM 239 CE3 TRP A 13 4.790 1.155 -3.289 1.00 0.00 C ATOM 240 CZ2 TRP A 13 6.641 -0.900 -3.847 1.00 0.00 C ATOM 241 CZ3 TRP A 13 6.171 1.369 -3.104 1.00 0.00 C ATOM 242 CH2 TRP A 13 7.096 0.344 -3.378 1.00 0.00 C ATOM 0 H TRP A 13 -0.705 -0.640 -4.210 1.00 0.00 H new ATOM 0 HA TRP A 13 1.232 -1.439 -2.365 1.00 0.00 H new ATOM 0 HB2 TRP A 13 1.077 -0.097 -4.833 1.00 0.00 H new ATOM 0 HB3 TRP A 13 1.772 1.099 -3.756 1.00 0.00 H new ATOM 0 HD1 TRP A 13 2.391 -2.571 -4.789 1.00 0.00 H new ATOM 0 HE1 TRP A 13 4.922 -3.067 -4.760 1.00 0.00 H new ATOM 0 HE3 TRP A 13 4.096 1.954 -3.074 1.00 0.00 H new ATOM 0 HZ2 TRP A 13 7.342 -1.692 -4.065 1.00 0.00 H new ATOM 0 HZ3 TRP A 13 6.522 2.327 -2.749 1.00 0.00 H new ATOM 0 HH2 TRP A 13 8.152 0.513 -3.228 1.00 0.00 H new ATOM 253 N TYR A 14 -0.188 1.386 -1.499 1.00 0.00 N ATOM 254 CA TYR A 14 -0.360 2.336 -0.386 1.00 0.00 C ATOM 255 C TYR A 14 -0.590 1.617 0.957 1.00 0.00 C ATOM 256 O TYR A 14 0.036 1.959 1.962 1.00 0.00 O ATOM 257 CB TYR A 14 -1.490 3.323 -0.706 1.00 0.00 C ATOM 258 CG TYR A 14 -1.334 4.676 -0.033 1.00 0.00 C ATOM 259 CD1 TYR A 14 -1.718 4.856 1.311 1.00 0.00 C ATOM 260 CD2 TYR A 14 -0.790 5.756 -0.757 1.00 0.00 C ATOM 261 CE1 TYR A 14 -1.551 6.110 1.933 1.00 0.00 C ATOM 262 CE2 TYR A 14 -0.626 7.011 -0.141 1.00 0.00 C ATOM 263 CZ TYR A 14 -1.003 7.192 1.207 1.00 0.00 C ATOM 264 OH TYR A 14 -0.831 8.408 1.797 1.00 0.00 O ATOM 0 H TYR A 14 -0.875 1.511 -2.243 1.00 0.00 H new ATOM 0 HA TYR A 14 0.566 2.900 -0.275 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -1.538 3.468 -1.785 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -2.440 2.884 -0.401 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -2.141 4.031 1.866 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -0.498 5.620 -1.788 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -1.842 6.244 2.964 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -0.211 7.836 -0.701 1.00 0.00 H new ATOM 0 HH TYR A 14 -0.441 9.033 1.151 1.00 0.00 H new ATOM 274 N ILE A 15 -1.458 0.595 0.981 1.00 0.00 N ATOM 275 CA ILE A 15 -1.699 -0.232 2.180 1.00 0.00 C ATOM 276 C ILE A 15 -0.515 -1.193 2.424 1.00 0.00 C ATOM 277 O ILE A 15 -0.110 -1.386 3.569 1.00 0.00 O ATOM 278 CB ILE A 15 -3.044 -0.993 2.096 1.00 0.00 C ATOM 279 CG1 ILE A 15 -4.225 -0.036 1.779 1.00 0.00 C ATOM 280 CG2 ILE A 15 -3.345 -1.720 3.419 1.00 0.00 C ATOM 281 CD1 ILE A 15 -4.777 -0.254 0.368 1.00 0.00 C ATOM 0 H ILE A 15 -2.014 0.316 0.172 1.00 0.00 H new ATOM 0 HA ILE A 15 -1.773 0.438 3.037 1.00 0.00 H new ATOM 0 HB ILE A 15 -2.945 -1.717 1.288 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -5.021 -0.189 2.507 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -3.893 0.997 1.883 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -4.295 -2.248 3.336 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -2.550 -2.435 3.630 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -3.403 -0.993 4.229 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -5.601 0.436 0.189 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -3.988 -0.075 -0.363 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -5.135 -1.279 0.272 1.00 0.00 H new ATOM 293 N LYS A 16 0.097 -1.745 1.365 1.00 0.00 N ATOM 294 CA LYS A 16 1.289 -2.614 1.453 1.00 0.00 C ATOM 295 C LYS A 16 2.459 -1.922 2.172 1.00 0.00 C ATOM 296 O LYS A 16 3.112 -2.540 3.013 1.00 0.00 O ATOM 297 CB LYS A 16 1.668 -3.110 0.040 1.00 0.00 C ATOM 298 CG LYS A 16 2.223 -4.545 -0.015 1.00 0.00 C ATOM 299 CD LYS A 16 3.624 -4.732 0.596 1.00 0.00 C ATOM 300 CE LYS A 16 3.616 -5.572 1.882 1.00 0.00 C ATOM 301 NZ LYS A 16 3.386 -7.019 1.606 1.00 0.00 N ATOM 0 H LYS A 16 -0.224 -1.600 0.408 1.00 0.00 H new ATOM 0 HA LYS A 16 1.047 -3.482 2.066 1.00 0.00 H new ATOM 0 HB2 LYS A 16 0.786 -3.052 -0.598 1.00 0.00 H new ATOM 0 HB3 LYS A 16 2.411 -2.432 -0.380 1.00 0.00 H new ATOM 0 HG2 LYS A 16 1.528 -5.206 0.502 1.00 0.00 H new ATOM 0 HG3 LYS A 16 2.253 -4.866 -1.056 1.00 0.00 H new ATOM 0 HD2 LYS A 16 4.273 -5.210 -0.138 1.00 0.00 H new ATOM 0 HD3 LYS A 16 4.053 -3.753 0.812 1.00 0.00 H new ATOM 0 HE2 LYS A 16 4.567 -5.449 2.401 1.00 0.00 H new ATOM 0 HE3 LYS A 16 2.838 -5.203 2.551 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 3.388 -7.548 2.501 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 2.467 -7.141 1.134 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 4.142 -7.379 0.989 1.00 0.00 H new ATOM 315 N LEU A 17 2.690 -0.635 1.897 1.00 0.00 N ATOM 316 CA LEU A 17 3.701 0.198 2.567 1.00 0.00 C ATOM 317 C LEU A 17 3.488 0.274 4.086 1.00 0.00 C ATOM 318 O LEU A 17 4.452 0.134 4.834 1.00 0.00 O ATOM 319 CB LEU A 17 3.710 1.614 1.957 1.00 0.00 C ATOM 320 CG LEU A 17 4.379 1.684 0.573 1.00 0.00 C ATOM 321 CD1 LEU A 17 3.965 2.980 -0.128 1.00 0.00 C ATOM 322 CD2 LEU A 17 5.908 1.653 0.673 1.00 0.00 C ATOM 0 H LEU A 17 2.167 -0.127 1.184 1.00 0.00 H new ATOM 0 HA LEU A 17 4.669 -0.276 2.404 1.00 0.00 H new ATOM 0 HB2 LEU A 17 2.684 1.971 1.874 1.00 0.00 H new ATOM 0 HB3 LEU A 17 4.229 2.290 2.637 1.00 0.00 H new ATOM 0 HG LEU A 17 4.052 0.812 0.007 1.00 0.00 H new ATOM 0 HD11 LEU A 17 4.438 3.031 -1.109 1.00 0.00 H new ATOM 0 HD12 LEU A 17 2.882 2.999 -0.247 1.00 0.00 H new ATOM 0 HD13 LEU A 17 4.280 3.834 0.471 1.00 0.00 H new ATOM 0 HD21 LEU A 17 6.339 1.704 -0.327 1.00 0.00 H new ATOM 0 HD22 LEU A 17 6.252 2.504 1.261 1.00 0.00 H new ATOM 0 HD23 LEU A 17 6.222 0.728 1.157 1.00 0.00 H new ATOM 334 N PHE A 18 2.246 0.436 4.557 1.00 0.00 N ATOM 335 CA PHE A 18 1.920 0.451 5.991 1.00 0.00 C ATOM 336 C PHE A 18 2.411 -0.815 6.714 1.00 0.00 C ATOM 337 O PHE A 18 2.963 -0.721 7.810 1.00 0.00 O ATOM 338 CB PHE A 18 0.409 0.655 6.179 1.00 0.00 C ATOM 339 CG PHE A 18 -0.033 0.839 7.619 1.00 0.00 C ATOM 340 CD1 PHE A 18 -0.045 2.123 8.196 1.00 0.00 C ATOM 341 CD2 PHE A 18 -0.454 -0.271 8.379 1.00 0.00 C ATOM 342 CE1 PHE A 18 -0.484 2.299 9.522 1.00 0.00 C ATOM 343 CE2 PHE A 18 -0.892 -0.095 9.704 1.00 0.00 C ATOM 344 CZ PHE A 18 -0.912 1.191 10.274 1.00 0.00 C ATOM 0 H PHE A 18 1.434 0.561 3.953 1.00 0.00 H new ATOM 0 HA PHE A 18 2.449 1.287 6.448 1.00 0.00 H new ATOM 0 HB2 PHE A 18 0.100 1.528 5.604 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -0.115 -0.204 5.760 1.00 0.00 H new ATOM 0 HD1 PHE A 18 0.283 2.975 7.620 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -0.440 -1.259 7.943 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -0.492 3.285 9.962 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -1.213 -0.948 10.284 1.00 0.00 H new ATOM 0 HZ PHE A 18 -1.256 1.327 11.289 1.00 0.00 H new ATOM 354 N ILE A 19 2.291 -1.991 6.082 1.00 0.00 N ATOM 355 CA ILE A 19 2.810 -3.266 6.611 1.00 0.00 C ATOM 356 C ILE A 19 4.332 -3.204 6.810 1.00 0.00 C ATOM 357 O ILE A 19 4.830 -3.655 7.839 1.00 0.00 O ATOM 358 CB ILE A 19 2.425 -4.471 5.715 1.00 0.00 C ATOM 359 CG1 ILE A 19 0.915 -4.480 5.381 1.00 0.00 C ATOM 360 CG2 ILE A 19 2.836 -5.790 6.400 1.00 0.00 C ATOM 361 CD1 ILE A 19 0.480 -5.612 4.441 1.00 0.00 C ATOM 0 H ILE A 19 1.826 -2.088 5.179 1.00 0.00 H new ATOM 0 HA ILE A 19 2.340 -3.420 7.582 1.00 0.00 H new ATOM 0 HB ILE A 19 2.964 -4.373 4.773 1.00 0.00 H new ATOM 0 HG12 ILE A 19 0.350 -4.559 6.310 1.00 0.00 H new ATOM 0 HG13 ILE A 19 0.650 -3.525 4.927 1.00 0.00 H new ATOM 0 HG21 ILE A 19 2.562 -6.631 5.764 1.00 0.00 H new ATOM 0 HG22 ILE A 19 3.914 -5.795 6.563 1.00 0.00 H new ATOM 0 HG23 ILE A 19 2.323 -5.878 7.358 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -0.593 -5.543 4.260 1.00 0.00 H new ATOM 0 HD12 ILE A 19 1.014 -5.525 3.495 1.00 0.00 H new ATOM 0 HD13 ILE A 19 0.709 -6.574 4.899 1.00 0.00 H new ATOM 373 N MET A 20 5.080 -2.621 5.865 1.00 0.00 N ATOM 374 CA MET A 20 6.536 -2.449 5.989 1.00 0.00 C ATOM 375 C MET A 20 6.911 -1.447 7.091 1.00 0.00 C ATOM 376 O MET A 20 7.795 -1.727 7.903 1.00 0.00 O ATOM 377 CB MET A 20 7.173 -2.018 4.658 1.00 0.00 C ATOM 378 CG MET A 20 6.792 -2.936 3.493 1.00 0.00 C ATOM 379 SD MET A 20 8.009 -2.952 2.148 1.00 0.00 S ATOM 380 CE MET A 20 7.157 -4.048 0.985 1.00 0.00 C ATOM 0 H MET A 20 4.696 -2.255 4.994 1.00 0.00 H new ATOM 0 HA MET A 20 6.932 -3.426 6.267 1.00 0.00 H new ATOM 0 HB2 MET A 20 6.865 -0.998 4.427 1.00 0.00 H new ATOM 0 HB3 MET A 20 8.258 -2.007 4.766 1.00 0.00 H new ATOM 0 HG2 MET A 20 6.666 -3.951 3.869 1.00 0.00 H new ATOM 0 HG3 MET A 20 5.828 -2.621 3.095 1.00 0.00 H new ATOM 0 HE1 MET A 20 7.863 -4.400 0.233 1.00 0.00 H new ATOM 0 HE2 MET A 20 6.745 -4.901 1.524 1.00 0.00 H new ATOM 0 HE3 MET A 20 6.349 -3.503 0.497 1.00 0.00 H new ATOM 390 N ILE A 21 6.231 -0.293 7.138 1.00 0.00 N ATOM 391 CA ILE A 21 6.472 0.770 8.125 1.00 0.00 C ATOM 392 C ILE A 21 6.201 0.247 9.543 1.00 0.00 C ATOM 393 O ILE A 21 7.098 0.258 10.385 1.00 0.00 O ATOM 394 CB ILE A 21 5.599 2.009 7.798 1.00 0.00 C ATOM 395 CG1 ILE A 21 5.962 2.628 6.427 1.00 0.00 C ATOM 396 CG2 ILE A 21 5.738 3.085 8.887 1.00 0.00 C ATOM 397 CD1 ILE A 21 4.908 3.624 5.917 1.00 0.00 C ATOM 0 H ILE A 21 5.485 -0.068 6.480 1.00 0.00 H new ATOM 0 HA ILE A 21 7.517 1.076 8.077 1.00 0.00 H new ATOM 0 HB ILE A 21 4.567 1.659 7.759 1.00 0.00 H new ATOM 0 HG12 ILE A 21 6.924 3.135 6.507 1.00 0.00 H new ATOM 0 HG13 ILE A 21 6.083 1.829 5.695 1.00 0.00 H new ATOM 0 HG21 ILE A 21 5.115 3.943 8.633 1.00 0.00 H new ATOM 0 HG22 ILE A 21 5.418 2.676 9.845 1.00 0.00 H new ATOM 0 HG23 ILE A 21 6.779 3.400 8.956 1.00 0.00 H new ATOM 0 HD11 ILE A 21 5.221 4.023 4.952 1.00 0.00 H new ATOM 0 HD12 ILE A 21 3.950 3.115 5.806 1.00 0.00 H new ATOM 0 HD13 ILE A 21 4.804 4.441 6.631 1.00 0.00 H new ATOM 409 N VAL A 22 5.012 -0.307 9.805 1.00 0.00 N ATOM 410 CA VAL A 22 4.668 -0.860 11.126 1.00 0.00 C ATOM 411 C VAL A 22 5.460 -2.128 11.428 1.00 0.00 C ATOM 412 O VAL A 22 5.897 -2.297 12.560 1.00 0.00 O ATOM 413 CB VAL A 22 3.154 -1.102 11.277 1.00 0.00 C ATOM 414 CG1 VAL A 22 2.788 -1.628 12.672 1.00 0.00 C ATOM 415 CG2 VAL A 22 2.395 0.218 11.064 1.00 0.00 C ATOM 0 H VAL A 22 4.264 -0.386 9.116 1.00 0.00 H new ATOM 0 HA VAL A 22 4.950 -0.108 11.863 1.00 0.00 H new ATOM 0 HB VAL A 22 2.876 -1.848 10.532 1.00 0.00 H new ATOM 0 HG11 VAL A 22 1.711 -1.784 12.731 1.00 0.00 H new ATOM 0 HG12 VAL A 22 3.301 -2.573 12.851 1.00 0.00 H new ATOM 0 HG13 VAL A 22 3.092 -0.902 13.426 1.00 0.00 H new ATOM 0 HG21 VAL A 22 1.324 0.044 11.171 1.00 0.00 H new ATOM 0 HG22 VAL A 22 2.720 0.948 11.805 1.00 0.00 H new ATOM 0 HG23 VAL A 22 2.602 0.599 10.064 1.00 0.00 H new ATOM 425 N GLY A 23 5.743 -2.976 10.438 1.00 0.00 N ATOM 426 CA GLY A 23 6.540 -4.193 10.619 1.00 0.00 C ATOM 427 C GLY A 23 7.944 -3.948 11.198 1.00 0.00 C ATOM 428 O GLY A 23 8.509 -4.837 11.839 1.00 0.00 O ATOM 0 H GLY A 23 5.423 -2.837 9.479 1.00 0.00 H new ATOM 0 HA2 GLY A 23 6.001 -4.872 11.279 1.00 0.00 H new ATOM 0 HA3 GLY A 23 6.639 -4.695 9.657 1.00 0.00 H new ATOM 432 N GLY A 24 8.493 -2.739 11.013 1.00 0.00 N ATOM 433 CA GLY A 24 9.772 -2.289 11.577 1.00 0.00 C ATOM 434 C GLY A 24 9.625 -1.321 12.759 1.00 0.00 C ATOM 435 O GLY A 24 10.507 -1.272 13.616 1.00 0.00 O ATOM 0 H GLY A 24 8.041 -2.022 10.445 1.00 0.00 H new ATOM 0 HA2 GLY A 24 10.341 -3.160 11.902 1.00 0.00 H new ATOM 0 HA3 GLY A 24 10.353 -1.804 10.793 1.00 0.00 H new ATOM 439 N LEU A 25 8.515 -0.576 12.855 1.00 0.00 N ATOM 440 CA LEU A 25 8.238 0.351 13.964 1.00 0.00 C ATOM 441 C LEU A 25 7.511 -0.285 15.169 1.00 0.00 C ATOM 442 O LEU A 25 7.505 0.301 16.250 1.00 0.00 O ATOM 443 CB LEU A 25 7.461 1.580 13.452 1.00 0.00 C ATOM 444 CG LEU A 25 8.231 2.499 12.481 1.00 0.00 C ATOM 445 CD1 LEU A 25 7.334 3.677 12.102 1.00 0.00 C ATOM 446 CD2 LEU A 25 9.513 3.080 13.082 1.00 0.00 C ATOM 0 H LEU A 25 7.773 -0.600 12.155 1.00 0.00 H new ATOM 0 HA LEU A 25 9.214 0.654 14.343 1.00 0.00 H new ATOM 0 HB2 LEU A 25 6.555 1.233 12.954 1.00 0.00 H new ATOM 0 HB3 LEU A 25 7.146 2.172 14.311 1.00 0.00 H new ATOM 0 HG LEU A 25 8.506 1.885 11.624 1.00 0.00 H new ATOM 0 HD11 LEU A 25 7.867 4.334 11.415 1.00 0.00 H new ATOM 0 HD12 LEU A 25 6.430 3.305 11.620 1.00 0.00 H new ATOM 0 HD13 LEU A 25 7.064 4.233 13.000 1.00 0.00 H new ATOM 0 HD21 LEU A 25 10.004 3.716 12.346 1.00 0.00 H new ATOM 0 HD22 LEU A 25 9.266 3.670 13.965 1.00 0.00 H new ATOM 0 HD23 LEU A 25 10.183 2.268 13.364 1.00 0.00 H new ATOM 458 N VAL A 26 6.926 -1.479 15.030 1.00 0.00 N ATOM 459 CA VAL A 26 6.288 -2.223 16.137 1.00 0.00 C ATOM 460 C VAL A 26 7.319 -2.877 17.072 1.00 0.00 C ATOM 461 O VAL A 26 7.091 -2.977 18.279 1.00 0.00 O ATOM 462 CB VAL A 26 5.274 -3.252 15.587 1.00 0.00 C ATOM 463 CG1 VAL A 26 5.922 -4.485 14.937 1.00 0.00 C ATOM 464 CG2 VAL A 26 4.247 -3.692 16.642 1.00 0.00 C ATOM 0 H VAL A 26 6.878 -1.968 14.136 1.00 0.00 H new ATOM 0 HA VAL A 26 5.741 -1.503 16.746 1.00 0.00 H new ATOM 0 HB VAL A 26 4.752 -2.713 14.797 1.00 0.00 H new ATOM 0 HG11 VAL A 26 5.144 -5.158 14.577 1.00 0.00 H new ATOM 0 HG12 VAL A 26 6.545 -4.170 14.100 1.00 0.00 H new ATOM 0 HG13 VAL A 26 6.537 -5.003 15.673 1.00 0.00 H new ATOM 0 HG21 VAL A 26 3.560 -4.415 16.202 1.00 0.00 H new ATOM 0 HG22 VAL A 26 4.765 -4.150 17.485 1.00 0.00 H new ATOM 0 HG23 VAL A 26 3.687 -2.824 16.989 1.00 0.00 H new ATOM 474 N LYS A 27 8.474 -3.293 16.527 1.00 0.00 N ATOM 475 CA LYS A 27 9.578 -3.947 17.257 1.00 0.00 C ATOM 476 C LYS A 27 10.574 -2.967 17.905 1.00 0.00 C ATOM 477 O LYS A 27 11.213 -3.327 18.897 1.00 0.00 O ATOM 478 CB LYS A 27 10.299 -4.934 16.318 1.00 0.00 C ATOM 479 CG LYS A 27 11.119 -4.221 15.230 1.00 0.00 C ATOM 480 CD LYS A 27 11.769 -5.154 14.209 1.00 0.00 C ATOM 481 CE LYS A 27 12.726 -6.211 14.789 1.00 0.00 C ATOM 482 NZ LYS A 27 13.860 -5.615 15.547 1.00 0.00 N ATOM 0 H LYS A 27 8.674 -3.181 15.533 1.00 0.00 H new ATOM 0 HA LYS A 27 9.129 -4.484 18.093 1.00 0.00 H new ATOM 0 HB2 LYS A 27 10.959 -5.573 16.905 1.00 0.00 H new ATOM 0 HB3 LYS A 27 9.563 -5.584 15.846 1.00 0.00 H new ATOM 0 HG2 LYS A 27 10.469 -3.523 14.702 1.00 0.00 H new ATOM 0 HG3 LYS A 27 11.899 -3.630 15.710 1.00 0.00 H new ATOM 0 HD2 LYS A 27 10.980 -5.667 13.658 1.00 0.00 H new ATOM 0 HD3 LYS A 27 12.319 -4.548 13.488 1.00 0.00 H new ATOM 0 HE2 LYS A 27 12.167 -6.877 15.446 1.00 0.00 H new ATOM 0 HE3 LYS A 27 13.120 -6.821 13.976 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 14.470 -6.374 15.913 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 14.413 -5.000 14.917 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 13.490 -5.054 16.341 1.00 0.00 H new ATOM 496 N LYS A 28 10.737 -1.771 17.318 1.00 0.00 N ATOM 497 CA LYS A 28 11.707 -0.721 17.710 1.00 0.00 C ATOM 498 C LYS A 28 11.640 -0.312 19.196 1.00 0.00 C ATOM 499 O LYS A 28 10.538 -0.301 19.793 1.00 0.00 O ATOM 500 CB LYS A 28 11.611 0.484 16.745 1.00 0.00 C ATOM 501 CG LYS A 28 10.417 1.429 17.000 1.00 0.00 C ATOM 502 CD LYS A 28 10.788 2.706 17.775 1.00 0.00 C ATOM 503 CE LYS A 28 11.060 3.888 16.829 1.00 0.00 C ATOM 504 NZ LYS A 28 9.833 4.697 16.585 1.00 0.00 N ATOM 505 OXT LYS A 28 12.713 0.007 19.758 1.00 0.00 O ATOM 0 H LYS A 28 10.171 -1.490 16.517 1.00 0.00 H new ATOM 0 HA LYS A 28 12.700 -1.160 17.612 1.00 0.00 H new ATOM 0 HB2 LYS A 28 12.533 1.061 16.815 1.00 0.00 H new ATOM 0 HB3 LYS A 28 11.546 0.108 15.724 1.00 0.00 H new ATOM 0 HG2 LYS A 28 9.978 1.711 16.043 1.00 0.00 H new ATOM 0 HG3 LYS A 28 9.650 0.888 17.555 1.00 0.00 H new ATOM 0 HD2 LYS A 28 9.979 2.965 18.458 1.00 0.00 H new ATOM 0 HD3 LYS A 28 11.671 2.518 18.385 1.00 0.00 H new ATOM 0 HE2 LYS A 28 11.835 4.524 17.256 1.00 0.00 H new ATOM 0 HE3 LYS A 28 11.442 3.513 15.880 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 10.058 5.484 15.943 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 9.101 4.097 16.154 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 9.482 5.076 17.488 1.00 0.00 H new TER 519 LYS A 28