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+ -117:sc= 0.0703 (180deg=-0.119) 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=-0.018) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 ASN : amide:sc= 0 X(o=0,f=-0.43) 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+ 163:sc= 1.26 (180deg=0.817) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 -15.677 4.520 -10.829 1.00 0.00 N ATOM 2 CA LYS A 1 -14.917 5.804 -10.875 1.00 0.00 C ATOM 3 C LYS A 1 -14.364 6.054 -12.288 1.00 0.00 C ATOM 4 O LYS A 1 -14.341 5.142 -13.115 1.00 0.00 O ATOM 5 CB LYS A 1 -13.798 5.845 -9.802 1.00 0.00 C ATOM 6 CG LYS A 1 -14.350 5.954 -8.367 1.00 0.00 C ATOM 7 CD LYS A 1 -14.872 7.365 -8.024 1.00 0.00 C ATOM 8 CE LYS A 1 -15.990 7.364 -6.968 1.00 0.00 C ATOM 9 NZ LYS A 1 -15.568 6.764 -5.674 1.00 0.00 N ATOM 0 H1 LYS A 1 -16.672 4.714 -10.598 1.00 0.00 H new ATOM 0 H2 LYS A 1 -15.622 4.050 -11.755 1.00 0.00 H new ATOM 0 H3 LYS A 1 -15.267 3.900 -10.101 1.00 0.00 H new ATOM 0 HA LYS A 1 -15.607 6.614 -10.638 1.00 0.00 H new ATOM 0 HB2 LYS A 1 -13.189 4.945 -9.885 1.00 0.00 H new ATOM 0 HB3 LYS A 1 -13.142 6.693 -10.000 1.00 0.00 H new ATOM 0 HG2 LYS A 1 -15.158 5.233 -8.239 1.00 0.00 H new ATOM 0 HG3 LYS A 1 -13.566 5.682 -7.661 1.00 0.00 H new ATOM 0 HD2 LYS A 1 -14.042 7.973 -7.663 1.00 0.00 H new ATOM 0 HD3 LYS A 1 -15.242 7.838 -8.934 1.00 0.00 H new ATOM 0 HE2 LYS A 1 -16.321 8.388 -6.796 1.00 0.00 H new ATOM 0 HE3 LYS A 1 -16.847 6.813 -7.355 1.00 0.00 H new ATOM 0 HZ1 LYS A 1 -16.362 6.791 -5.003 1.00 0.00 H new ATOM 0 HZ2 LYS A 1 -15.278 5.777 -5.827 1.00 0.00 H new ATOM 0 HZ3 LYS A 1 -14.768 7.303 -5.286 1.00 0.00 H new ATOM 25 N LYS A 2 -13.912 7.287 -12.579 1.00 0.00 N ATOM 26 CA LYS A 2 -13.284 7.688 -13.863 1.00 0.00 C ATOM 27 C LYS A 2 -11.965 6.939 -14.124 1.00 0.00 C ATOM 28 O LYS A 2 -11.677 6.563 -15.261 1.00 0.00 O ATOM 29 CB LYS A 2 -13.060 9.216 -13.873 1.00 0.00 C ATOM 30 CG LYS A 2 -14.376 10.016 -13.841 1.00 0.00 C ATOM 31 CD LYS A 2 -14.970 10.264 -15.236 1.00 0.00 C ATOM 32 CE LYS A 2 -16.481 10.511 -15.124 1.00 0.00 C ATOM 33 NZ LYS A 2 -17.034 11.158 -16.342 1.00 0.00 N ATOM 0 H LYS A 2 -13.972 8.057 -11.913 1.00 0.00 H new ATOM 0 HA LYS A 2 -13.963 7.415 -14.671 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -12.451 9.494 -13.013 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -12.496 9.489 -14.765 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -15.105 9.479 -13.233 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -14.199 10.975 -13.353 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -14.486 11.123 -15.700 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -14.780 9.405 -15.880 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -16.991 9.563 -14.954 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -16.682 11.140 -14.257 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -18.056 11.306 -16.223 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -16.567 12.075 -16.491 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -16.867 10.546 -17.166 1.00 0.00 H new ATOM 47 N LYS A 3 -11.178 6.716 -13.063 1.00 0.00 N ATOM 48 CA LYS A 3 -9.925 5.937 -13.048 1.00 0.00 C ATOM 49 C LYS A 3 -10.184 4.454 -13.346 1.00 0.00 C ATOM 50 O LYS A 3 -11.258 3.932 -13.037 1.00 0.00 O ATOM 51 CB LYS A 3 -9.259 6.098 -11.666 1.00 0.00 C ATOM 52 CG LYS A 3 -8.661 7.506 -11.475 1.00 0.00 C ATOM 53 CD LYS A 3 -7.125 7.490 -11.500 1.00 0.00 C ATOM 54 CE LYS A 3 -6.579 8.877 -11.854 1.00 0.00 C ATOM 55 NZ LYS A 3 -5.104 8.940 -11.684 1.00 0.00 N ATOM 0 H LYS A 3 -11.407 7.092 -12.143 1.00 0.00 H new ATOM 0 HA LYS A 3 -9.264 6.314 -13.828 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -9.994 5.907 -10.884 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -8.473 5.352 -11.553 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -9.029 8.165 -12.261 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -9.003 7.919 -10.526 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -6.743 7.180 -10.527 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -6.775 6.758 -12.228 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -6.838 9.119 -12.885 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -7.052 9.628 -11.221 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -4.766 9.892 -11.932 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -4.859 8.732 -10.695 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -4.653 8.240 -12.306 1.00 0.00 H new ATOM 69 N ASN A 4 -9.182 3.764 -13.890 1.00 0.00 N ATOM 70 CA ASN A 4 -9.228 2.328 -14.189 1.00 0.00 C ATOM 71 C ASN A 4 -8.380 1.523 -13.191 1.00 0.00 C ATOM 72 O ASN A 4 -7.314 1.970 -12.759 1.00 0.00 O ATOM 73 CB ASN A 4 -8.754 2.098 -15.638 1.00 0.00 C ATOM 74 CG ASN A 4 -9.755 2.605 -16.666 1.00 0.00 C ATOM 75 OD1 ASN A 4 -10.924 2.244 -16.659 1.00 0.00 O ATOM 76 ND2 ASN A 4 -9.336 3.435 -17.595 1.00 0.00 N ATOM 0 H ASN A 4 -8.293 4.196 -14.142 1.00 0.00 H new ATOM 0 HA ASN A 4 -10.255 1.976 -14.089 1.00 0.00 H new ATOM 0 HB2 ASN A 4 -7.798 2.600 -15.788 1.00 0.00 H new ATOM 0 HB3 ASN A 4 -8.583 1.033 -15.796 1.00 0.00 H new ATOM 0 HD21 ASN A 4 -9.984 3.775 -18.305 1.00 0.00 H new ATOM 0 HD22 ASN A 4 -8.362 3.739 -17.606 1.00 0.00 H new ATOM 83 N TRP A 5 -8.810 0.293 -12.889 1.00 0.00 N ATOM 84 CA TRP A 5 -8.095 -0.647 -12.011 1.00 0.00 C ATOM 85 C TRP A 5 -6.645 -0.911 -12.462 1.00 0.00 C ATOM 86 O TRP A 5 -5.773 -1.171 -11.633 1.00 0.00 O ATOM 87 CB TRP A 5 -8.890 -1.954 -11.903 1.00 0.00 C ATOM 88 CG TRP A 5 -8.855 -2.815 -13.129 1.00 0.00 C ATOM 89 CD1 TRP A 5 -9.715 -2.749 -14.172 1.00 0.00 C ATOM 90 CD2 TRP A 5 -7.885 -3.853 -13.468 1.00 0.00 C ATOM 91 NE1 TRP A 5 -9.339 -3.668 -15.134 1.00 0.00 N ATOM 92 CE2 TRP A 5 -8.217 -4.375 -14.753 1.00 0.00 C ATOM 93 CE3 TRP A 5 -6.752 -4.396 -12.824 1.00 0.00 C ATOM 94 CZ2 TRP A 5 -7.465 -5.387 -15.369 1.00 0.00 C ATOM 95 CZ3 TRP A 5 -5.988 -5.411 -13.434 1.00 0.00 C ATOM 96 CH2 TRP A 5 -6.341 -5.905 -14.703 1.00 0.00 C ATOM 0 H TRP A 5 -9.683 -0.087 -13.255 1.00 0.00 H new ATOM 0 HA TRP A 5 -8.019 -0.185 -11.027 1.00 0.00 H new ATOM 0 HB2 TRP A 5 -8.504 -2.529 -11.061 1.00 0.00 H new ATOM 0 HB3 TRP A 5 -9.928 -1.713 -11.675 1.00 0.00 H new ATOM 0 HD1 TRP A 5 -10.562 -2.083 -14.242 1.00 0.00 H new ATOM 0 HE1 TRP A 5 -9.831 -3.806 -16.017 1.00 0.00 H new ATOM 0 HE3 TRP A 5 -6.467 -4.028 -11.850 1.00 0.00 H new ATOM 0 HZ2 TRP A 5 -7.746 -5.763 -16.342 1.00 0.00 H new ATOM 0 HZ3 TRP A 5 -5.125 -5.813 -12.923 1.00 0.00 H new ATOM 0 HH2 TRP A 5 -5.749 -6.681 -15.165 1.00 0.00 H new ATOM 107 N PHE A 6 -6.378 -0.770 -13.766 1.00 0.00 N ATOM 108 CA PHE A 6 -5.061 -0.871 -14.407 1.00 0.00 C ATOM 109 C PHE A 6 -4.029 0.117 -13.822 1.00 0.00 C ATOM 110 O PHE A 6 -2.824 -0.129 -13.911 1.00 0.00 O ATOM 111 CB PHE A 6 -5.229 -0.639 -15.925 1.00 0.00 C ATOM 112 CG PHE A 6 -4.835 -1.829 -16.774 1.00 0.00 C ATOM 113 CD1 PHE A 6 -3.502 -1.982 -17.198 1.00 0.00 C ATOM 114 CD2 PHE A 6 -5.802 -2.781 -17.150 1.00 0.00 C ATOM 115 CE1 PHE A 6 -3.137 -3.079 -17.999 1.00 0.00 C ATOM 116 CE2 PHE A 6 -5.437 -3.878 -17.952 1.00 0.00 C ATOM 117 CZ PHE A 6 -4.104 -4.027 -18.376 1.00 0.00 C ATOM 0 H PHE A 6 -7.117 -0.571 -14.440 1.00 0.00 H new ATOM 0 HA PHE A 6 -4.669 -1.869 -14.213 1.00 0.00 H new ATOM 0 HB2 PHE A 6 -6.269 -0.386 -16.131 1.00 0.00 H new ATOM 0 HB3 PHE A 6 -4.627 0.221 -16.220 1.00 0.00 H new ATOM 0 HD1 PHE A 6 -2.758 -1.255 -16.908 1.00 0.00 H new ATOM 0 HD2 PHE A 6 -6.825 -2.669 -16.822 1.00 0.00 H new ATOM 0 HE1 PHE A 6 -2.114 -3.193 -18.324 1.00 0.00 H new ATOM 0 HE2 PHE A 6 -6.180 -4.606 -18.242 1.00 0.00 H new ATOM 0 HZ PHE A 6 -3.824 -4.869 -18.991 1.00 0.00 H new ATOM 127 N ASP A 7 -4.487 1.231 -13.239 1.00 0.00 N ATOM 128 CA ASP A 7 -3.672 2.234 -12.539 1.00 0.00 C ATOM 129 C ASP A 7 -3.821 2.106 -11.005 1.00 0.00 C ATOM 130 O ASP A 7 -2.829 2.162 -10.282 1.00 0.00 O ATOM 131 CB ASP A 7 -4.056 3.636 -13.051 1.00 0.00 C ATOM 132 CG ASP A 7 -3.075 4.753 -12.644 1.00 0.00 C ATOM 133 OD1 ASP A 7 -1.859 4.493 -12.489 1.00 0.00 O ATOM 134 OD2 ASP A 7 -3.521 5.921 -12.530 1.00 0.00 O ATOM 0 H ASP A 7 -5.479 1.469 -13.242 1.00 0.00 H new ATOM 0 HA ASP A 7 -2.617 2.065 -12.754 1.00 0.00 H new ATOM 0 HB2 ASP A 7 -4.123 3.607 -14.139 1.00 0.00 H new ATOM 0 HB3 ASP A 7 -5.049 3.887 -12.677 1.00 0.00 H new ATOM 139 N ILE A 8 -5.041 1.849 -10.495 1.00 0.00 N ATOM 140 CA ILE A 8 -5.297 1.627 -9.052 1.00 0.00 C ATOM 141 C ILE A 8 -4.497 0.435 -8.489 1.00 0.00 C ATOM 142 O ILE A 8 -4.120 0.447 -7.318 1.00 0.00 O ATOM 143 CB ILE A 8 -6.812 1.488 -8.753 1.00 0.00 C ATOM 144 CG1 ILE A 8 -7.658 2.666 -9.295 1.00 0.00 C ATOM 145 CG2 ILE A 8 -7.089 1.323 -7.247 1.00 0.00 C ATOM 146 CD1 ILE A 8 -7.243 4.063 -8.810 1.00 0.00 C ATOM 0 H ILE A 8 -5.881 1.789 -11.070 1.00 0.00 H new ATOM 0 HA ILE A 8 -4.940 2.517 -8.533 1.00 0.00 H new ATOM 0 HB ILE A 8 -7.117 0.585 -9.281 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -7.612 2.651 -10.384 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -8.699 2.500 -9.017 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -8.162 1.229 -7.083 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -6.586 0.428 -6.880 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -6.715 2.195 -6.711 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -7.901 4.812 -9.251 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -7.318 4.108 -7.724 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -6.215 4.262 -9.111 1.00 0.00 H new ATOM 158 N THR A 9 -4.154 -0.564 -9.309 1.00 0.00 N ATOM 159 CA THR A 9 -3.300 -1.702 -8.911 1.00 0.00 C ATOM 160 C THR A 9 -1.940 -1.247 -8.346 1.00 0.00 C ATOM 161 O THR A 9 -1.377 -1.904 -7.467 1.00 0.00 O ATOM 162 CB THR A 9 -3.131 -2.692 -10.075 1.00 0.00 C ATOM 163 OG1 THR A 9 -2.524 -3.883 -9.626 1.00 0.00 O ATOM 164 CG2 THR A 9 -2.293 -2.141 -11.229 1.00 0.00 C ATOM 0 H THR A 9 -4.462 -0.611 -10.280 1.00 0.00 H new ATOM 0 HA THR A 9 -3.810 -2.221 -8.099 1.00 0.00 H new ATOM 0 HB THR A 9 -4.139 -2.877 -10.447 1.00 0.00 H new ATOM 0 HG1 THR A 9 -2.425 -4.503 -10.378 1.00 0.00 H new ATOM 0 HG21 THR A 9 -2.216 -2.893 -12.014 1.00 0.00 H new ATOM 0 HG22 THR A 9 -2.769 -1.246 -11.629 1.00 0.00 H new ATOM 0 HG23 THR A 9 -1.296 -1.891 -10.867 1.00 0.00 H new ATOM 172 N ASN A 10 -1.442 -0.070 -8.762 1.00 0.00 N ATOM 173 CA ASN A 10 -0.210 0.526 -8.233 1.00 0.00 C ATOM 174 C ASN A 10 -0.345 0.907 -6.743 1.00 0.00 C ATOM 175 O ASN A 10 0.639 0.876 -6.007 1.00 0.00 O ATOM 176 CB ASN A 10 0.200 1.756 -9.061 1.00 0.00 C ATOM 177 CG ASN A 10 0.596 1.450 -10.498 1.00 0.00 C ATOM 178 OD1 ASN A 10 0.769 0.312 -10.915 1.00 0.00 O ATOM 179 ND2 ASN A 10 0.803 2.468 -11.300 1.00 0.00 N ATOM 0 H ASN A 10 -1.890 0.497 -9.482 1.00 0.00 H new ATOM 0 HA ASN A 10 0.571 -0.231 -8.311 1.00 0.00 H new ATOM 0 HB2 ASN A 10 -0.628 2.464 -9.069 1.00 0.00 H new ATOM 0 HB3 ASN A 10 1.036 2.249 -8.565 1.00 0.00 H new ATOM 0 HD21 ASN A 10 1.105 2.307 -12.261 1.00 0.00 H new ATOM 0 HD22 ASN A 10 0.662 3.420 -10.962 1.00 0.00 H new ATOM 186 N TRP A 11 -1.553 1.247 -6.283 1.00 0.00 N ATOM 187 CA TRP A 11 -1.852 1.535 -4.877 1.00 0.00 C ATOM 188 C TRP A 11 -2.023 0.242 -4.065 1.00 0.00 C ATOM 189 O TRP A 11 -1.594 0.180 -2.915 1.00 0.00 O ATOM 190 CB TRP A 11 -3.103 2.413 -4.771 1.00 0.00 C ATOM 191 CG TRP A 11 -2.953 3.780 -5.370 1.00 0.00 C ATOM 192 CD1 TRP A 11 -2.911 4.065 -6.693 1.00 0.00 C ATOM 193 CD2 TRP A 11 -2.794 5.058 -4.679 1.00 0.00 C ATOM 194 NE1 TRP A 11 -2.719 5.423 -6.868 1.00 0.00 N ATOM 195 CE2 TRP A 11 -2.641 6.083 -5.661 1.00 0.00 C ATOM 196 CE3 TRP A 11 -2.756 5.457 -3.324 1.00 0.00 C ATOM 197 CZ2 TRP A 11 -2.456 7.432 -5.318 1.00 0.00 C ATOM 198 CZ3 TRP A 11 -2.578 6.809 -2.968 1.00 0.00 C ATOM 199 CH2 TRP A 11 -2.426 7.795 -3.960 1.00 0.00 C ATOM 0 H TRP A 11 -2.368 1.331 -6.891 1.00 0.00 H new ATOM 0 HA TRP A 11 -1.006 2.078 -4.455 1.00 0.00 H new ATOM 0 HB2 TRP A 11 -3.932 1.904 -5.262 1.00 0.00 H new ATOM 0 HB3 TRP A 11 -3.371 2.518 -3.720 1.00 0.00 H new ATOM 0 HD1 TRP A 11 -3.012 3.342 -7.489 1.00 0.00 H new ATOM 0 HE1 TRP A 11 -2.644 5.879 -7.777 1.00 0.00 H new ATOM 0 HE3 TRP A 11 -2.865 4.714 -2.548 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 -2.338 8.181 -6.087 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 -2.558 7.090 -1.925 1.00 0.00 H new ATOM 0 HH2 TRP A 11 -2.287 8.828 -3.679 1.00 0.00 H new ATOM 210 N LEU A 12 -2.590 -0.807 -4.669 1.00 0.00 N ATOM 211 CA LEU A 12 -2.830 -2.119 -4.051 1.00 0.00 C ATOM 212 C LEU A 12 -1.541 -2.700 -3.428 1.00 0.00 C ATOM 213 O LEU A 12 -1.546 -3.096 -2.260 1.00 0.00 O ATOM 214 CB LEU A 12 -3.495 -3.033 -5.106 1.00 0.00 C ATOM 215 CG LEU A 12 -4.596 -3.964 -4.565 1.00 0.00 C ATOM 216 CD1 LEU A 12 -5.407 -4.546 -5.733 1.00 0.00 C ATOM 217 CD2 LEU A 12 -4.042 -5.107 -3.713 1.00 0.00 C ATOM 0 H LEU A 12 -2.907 -0.766 -5.638 1.00 0.00 H new ATOM 0 HA LEU A 12 -3.514 -2.029 -3.207 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -3.923 -2.406 -5.888 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -2.722 -3.643 -5.574 1.00 0.00 H new ATOM 0 HG LEU A 12 -5.234 -3.358 -3.921 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -6.184 -5.204 -5.344 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -5.867 -3.734 -6.297 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -4.746 -5.113 -6.388 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -4.864 -5.729 -3.360 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -3.361 -5.711 -4.313 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -3.505 -4.696 -2.858 1.00 0.00 H new ATOM 229 N TRP A 13 -0.420 -2.703 -4.165 1.00 0.00 N ATOM 230 CA TRP A 13 0.885 -3.133 -3.630 1.00 0.00 C ATOM 231 C TRP A 13 1.561 -2.061 -2.751 1.00 0.00 C ATOM 232 O TRP A 13 2.306 -2.402 -1.832 1.00 0.00 O ATOM 233 CB TRP A 13 1.821 -3.582 -4.765 1.00 0.00 C ATOM 234 CG TRP A 13 2.430 -2.498 -5.605 1.00 0.00 C ATOM 235 CD1 TRP A 13 1.989 -2.103 -6.820 1.00 0.00 C ATOM 236 CD2 TRP A 13 3.601 -1.667 -5.316 1.00 0.00 C ATOM 237 NE1 TRP A 13 2.782 -1.068 -7.284 1.00 0.00 N ATOM 238 CE2 TRP A 13 3.750 -0.719 -6.370 1.00 0.00 C ATOM 239 CE3 TRP A 13 4.553 -1.614 -4.273 1.00 0.00 C ATOM 240 CZ2 TRP A 13 4.735 0.281 -6.357 1.00 0.00 C ATOM 241 CZ3 TRP A 13 5.578 -0.646 -4.276 1.00 0.00 C ATOM 242 CH2 TRP A 13 5.652 0.320 -5.295 1.00 0.00 C ATOM 0 H TRP A 13 -0.390 -2.410 -5.142 1.00 0.00 H new ATOM 0 HA TRP A 13 0.687 -3.985 -2.979 1.00 0.00 H new ATOM 0 HB2 TRP A 13 2.629 -4.168 -4.328 1.00 0.00 H new ATOM 0 HB3 TRP A 13 1.263 -4.249 -5.422 1.00 0.00 H new ATOM 0 HD1 TRP A 13 1.148 -2.529 -7.347 1.00 0.00 H new ATOM 0 HE1 TRP A 13 2.664 -0.619 -8.192 1.00 0.00 H new ATOM 0 HE3 TRP A 13 4.495 -2.325 -3.462 1.00 0.00 H new ATOM 0 HZ2 TRP A 13 4.787 1.010 -7.152 1.00 0.00 H new ATOM 0 HZ3 TRP A 13 6.315 -0.646 -3.486 1.00 0.00 H new ATOM 0 HH2 TRP A 13 6.411 1.088 -5.261 1.00 0.00 H new ATOM 253 N TYR A 14 1.288 -0.771 -2.979 1.00 0.00 N ATOM 254 CA TYR A 14 1.841 0.336 -2.186 1.00 0.00 C ATOM 255 C TYR A 14 1.319 0.338 -0.739 1.00 0.00 C ATOM 256 O TYR A 14 2.084 0.577 0.196 1.00 0.00 O ATOM 257 CB TYR A 14 1.531 1.665 -2.886 1.00 0.00 C ATOM 258 CG TYR A 14 2.207 2.880 -2.286 1.00 0.00 C ATOM 259 CD1 TYR A 14 3.574 3.107 -2.534 1.00 0.00 C ATOM 260 CD2 TYR A 14 1.467 3.798 -1.514 1.00 0.00 C ATOM 261 CE1 TYR A 14 4.209 4.247 -2.005 1.00 0.00 C ATOM 262 CE2 TYR A 14 2.098 4.942 -0.987 1.00 0.00 C ATOM 263 CZ TYR A 14 3.470 5.170 -1.230 1.00 0.00 C ATOM 264 OH TYR A 14 4.072 6.281 -0.721 1.00 0.00 O ATOM 0 H TYR A 14 0.669 -0.461 -3.728 1.00 0.00 H new ATOM 0 HA TYR A 14 2.921 0.201 -2.121 1.00 0.00 H new ATOM 0 HB2 TYR A 14 1.826 1.584 -3.932 1.00 0.00 H new ATOM 0 HB3 TYR A 14 0.453 1.823 -2.870 1.00 0.00 H new ATOM 0 HD1 TYR A 14 4.137 2.405 -3.131 1.00 0.00 H new ATOM 0 HD2 TYR A 14 0.418 3.625 -1.327 1.00 0.00 H new ATOM 0 HE1 TYR A 14 5.259 4.416 -2.191 1.00 0.00 H new ATOM 0 HE2 TYR A 14 1.531 5.646 -0.396 1.00 0.00 H new ATOM 0 HH TYR A 14 3.417 6.805 -0.215 1.00 0.00 H new ATOM 274 N ILE A 15 0.043 0.001 -0.520 1.00 0.00 N ATOM 275 CA ILE A 15 -0.557 -0.139 0.820 1.00 0.00 C ATOM 276 C ILE A 15 0.142 -1.256 1.623 1.00 0.00 C ATOM 277 O ILE A 15 0.328 -1.114 2.832 1.00 0.00 O ATOM 278 CB ILE A 15 -2.088 -0.347 0.719 1.00 0.00 C ATOM 279 CG1 ILE A 15 -2.791 0.841 0.015 1.00 0.00 C ATOM 280 CG2 ILE A 15 -2.722 -0.510 2.114 1.00 0.00 C ATOM 281 CD1 ILE A 15 -4.068 0.406 -0.717 1.00 0.00 C ATOM 0 H ILE A 15 -0.615 -0.186 -1.277 1.00 0.00 H new ATOM 0 HA ILE A 15 -0.400 0.788 1.371 1.00 0.00 H new ATOM 0 HB ILE A 15 -2.229 -1.254 0.131 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -3.039 1.604 0.753 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -2.104 1.298 -0.697 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -3.797 -0.654 2.010 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -2.286 -1.376 2.613 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -2.532 0.385 2.707 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -4.526 1.272 -1.195 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -3.818 -0.337 -1.474 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -4.768 -0.026 -0.002 1.00 0.00 H new ATOM 293 N LYS A 16 0.609 -2.339 0.975 1.00 0.00 N ATOM 294 CA LYS A 16 1.381 -3.407 1.643 1.00 0.00 C ATOM 295 C LYS A 16 2.708 -2.903 2.234 1.00 0.00 C ATOM 296 O LYS A 16 3.180 -3.472 3.218 1.00 0.00 O ATOM 297 CB LYS A 16 1.608 -4.617 0.710 1.00 0.00 C ATOM 298 CG LYS A 16 0.444 -5.615 0.792 1.00 0.00 C ATOM 299 CD LYS A 16 0.734 -6.939 0.066 1.00 0.00 C ATOM 300 CE LYS A 16 0.428 -6.875 -1.437 1.00 0.00 C ATOM 301 NZ LYS A 16 0.596 -8.209 -2.077 1.00 0.00 N ATOM 0 H LYS A 16 0.464 -2.500 -0.022 1.00 0.00 H new ATOM 0 HA LYS A 16 0.772 -3.741 2.483 1.00 0.00 H new ATOM 0 HB2 LYS A 16 1.720 -4.270 -0.317 1.00 0.00 H new ATOM 0 HB3 LYS A 16 2.538 -5.117 0.981 1.00 0.00 H new ATOM 0 HG2 LYS A 16 0.224 -5.822 1.839 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -0.448 -5.160 0.363 1.00 0.00 H new ATOM 0 HD2 LYS A 16 1.782 -7.203 0.207 1.00 0.00 H new ATOM 0 HD3 LYS A 16 0.141 -7.734 0.519 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -0.592 -6.522 -1.589 1.00 0.00 H new ATOM 0 HE3 LYS A 16 1.090 -6.153 -1.915 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 0.383 -8.136 -3.092 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 1.576 -8.533 -1.951 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -0.053 -8.890 -1.635 1.00 0.00 H new ATOM 315 N LEU A 17 3.285 -1.816 1.710 1.00 0.00 N ATOM 316 CA LEU A 17 4.498 -1.199 2.271 1.00 0.00 C ATOM 317 C LEU A 17 4.256 -0.644 3.679 1.00 0.00 C ATOM 318 O LEU A 17 5.124 -0.782 4.537 1.00 0.00 O ATOM 319 CB LEU A 17 5.034 -0.069 1.378 1.00 0.00 C ATOM 320 CG LEU A 17 5.247 -0.418 -0.104 1.00 0.00 C ATOM 321 CD1 LEU A 17 5.746 0.835 -0.823 1.00 0.00 C ATOM 322 CD2 LEU A 17 6.257 -1.550 -0.298 1.00 0.00 C ATOM 0 H LEU A 17 2.926 -1.337 0.884 1.00 0.00 H new ATOM 0 HA LEU A 17 5.241 -1.995 2.322 1.00 0.00 H new ATOM 0 HB2 LEU A 17 4.342 0.771 1.436 1.00 0.00 H new ATOM 0 HB3 LEU A 17 5.984 0.272 1.790 1.00 0.00 H new ATOM 0 HG LEU A 17 4.297 -0.761 -0.514 1.00 0.00 H new ATOM 0 HD11 LEU A 17 5.904 0.610 -1.878 1.00 0.00 H new ATOM 0 HD12 LEU A 17 5.005 1.628 -0.728 1.00 0.00 H new ATOM 0 HD13 LEU A 17 6.685 1.161 -0.377 1.00 0.00 H new ATOM 0 HD21 LEU A 17 6.371 -1.758 -1.362 1.00 0.00 H new ATOM 0 HD22 LEU A 17 7.220 -1.254 0.119 1.00 0.00 H new ATOM 0 HD23 LEU A 17 5.901 -2.446 0.210 1.00 0.00 H new ATOM 334 N PHE A 18 3.077 -0.066 3.949 1.00 0.00 N ATOM 335 CA PHE A 18 2.693 0.408 5.287 1.00 0.00 C ATOM 336 C PHE A 18 2.793 -0.723 6.322 1.00 0.00 C ATOM 337 O PHE A 18 3.369 -0.527 7.389 1.00 0.00 O ATOM 338 CB PHE A 18 1.281 1.014 5.250 1.00 0.00 C ATOM 339 CG PHE A 18 0.758 1.500 6.591 1.00 0.00 C ATOM 340 CD1 PHE A 18 0.995 2.824 7.011 1.00 0.00 C ATOM 341 CD2 PHE A 18 0.019 0.630 7.417 1.00 0.00 C ATOM 342 CE1 PHE A 18 0.495 3.272 8.249 1.00 0.00 C ATOM 343 CE2 PHE A 18 -0.475 1.076 8.656 1.00 0.00 C ATOM 344 CZ PHE A 18 -0.239 2.399 9.071 1.00 0.00 C ATOM 0 H PHE A 18 2.359 0.087 3.241 1.00 0.00 H new ATOM 0 HA PHE A 18 3.389 1.189 5.593 1.00 0.00 H new ATOM 0 HB2 PHE A 18 1.279 1.850 4.551 1.00 0.00 H new ATOM 0 HB3 PHE A 18 0.591 0.267 4.856 1.00 0.00 H new ATOM 0 HD1 PHE A 18 1.561 3.496 6.383 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -0.169 -0.384 7.097 1.00 0.00 H new ATOM 0 HE1 PHE A 18 0.676 4.288 8.568 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -1.035 0.403 9.288 1.00 0.00 H new ATOM 0 HZ PHE A 18 -0.621 2.744 10.020 1.00 0.00 H new ATOM 354 N ILE A 19 2.304 -1.922 5.985 1.00 0.00 N ATOM 355 CA ILE A 19 2.398 -3.119 6.836 1.00 0.00 C ATOM 356 C ILE A 19 3.867 -3.467 7.133 1.00 0.00 C ATOM 357 O ILE A 19 4.201 -3.768 8.276 1.00 0.00 O ATOM 358 CB ILE A 19 1.649 -4.326 6.215 1.00 0.00 C ATOM 359 CG1 ILE A 19 0.189 -3.969 5.843 1.00 0.00 C ATOM 360 CG2 ILE A 19 1.676 -5.513 7.198 1.00 0.00 C ATOM 361 CD1 ILE A 19 -0.523 -5.054 5.026 1.00 0.00 C ATOM 0 H ILE A 19 1.824 -2.093 5.101 1.00 0.00 H new ATOM 0 HA ILE A 19 1.907 -2.889 7.782 1.00 0.00 H new ATOM 0 HB ILE A 19 2.160 -4.602 5.293 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -0.375 -3.787 6.758 1.00 0.00 H new ATOM 0 HG13 ILE A 19 0.185 -3.038 5.275 1.00 0.00 H new ATOM 0 HG21 ILE A 19 1.149 -6.360 6.760 1.00 0.00 H new ATOM 0 HG22 ILE A 19 2.709 -5.794 7.401 1.00 0.00 H new ATOM 0 HG23 ILE A 19 1.189 -5.225 8.130 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -1.541 -4.733 4.803 1.00 0.00 H new ATOM 0 HD12 ILE A 19 0.017 -5.221 4.094 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -0.552 -5.981 5.599 1.00 0.00 H new ATOM 373 N MET A 20 4.758 -3.390 6.137 1.00 0.00 N ATOM 374 CA MET A 20 6.198 -3.631 6.327 1.00 0.00 C ATOM 375 C MET A 20 6.864 -2.568 7.215 1.00 0.00 C ATOM 376 O MET A 20 7.576 -2.901 8.158 1.00 0.00 O ATOM 377 CB MET A 20 6.938 -3.727 4.982 1.00 0.00 C ATOM 378 CG MET A 20 6.307 -4.715 3.994 1.00 0.00 C ATOM 379 SD MET A 20 7.513 -5.566 2.938 1.00 0.00 S ATOM 380 CE MET A 20 6.389 -6.434 1.812 1.00 0.00 C ATOM 0 H MET A 20 4.504 -3.159 5.177 1.00 0.00 H new ATOM 0 HA MET A 20 6.275 -4.589 6.841 1.00 0.00 H new ATOM 0 HB2 MET A 20 6.967 -2.739 4.523 1.00 0.00 H new ATOM 0 HB3 MET A 20 7.971 -4.023 5.167 1.00 0.00 H new ATOM 0 HG2 MET A 20 5.738 -5.459 4.552 1.00 0.00 H new ATOM 0 HG3 MET A 20 5.598 -4.180 3.362 1.00 0.00 H new ATOM 0 HE1 MET A 20 6.969 -7.011 1.092 1.00 0.00 H new ATOM 0 HE2 MET A 20 5.749 -7.106 2.383 1.00 0.00 H new ATOM 0 HE3 MET A 20 5.772 -5.708 1.283 1.00 0.00 H new ATOM 390 N ILE A 21 6.626 -1.279 6.919 1.00 0.00 N ATOM 391 CA ILE A 21 7.199 -0.125 7.632 1.00 0.00 C ATOM 392 C ILE A 21 6.732 -0.110 9.094 1.00 0.00 C ATOM 393 O ILE A 21 7.554 -0.142 10.017 1.00 0.00 O ATOM 394 CB ILE A 21 6.820 1.186 6.899 1.00 0.00 C ATOM 395 CG1 ILE A 21 7.478 1.292 5.502 1.00 0.00 C ATOM 396 CG2 ILE A 21 7.229 2.414 7.736 1.00 0.00 C ATOM 397 CD1 ILE A 21 6.732 2.253 4.561 1.00 0.00 C ATOM 0 H ILE A 21 6.011 -1.003 6.154 1.00 0.00 H new ATOM 0 HA ILE A 21 8.286 -0.209 7.638 1.00 0.00 H new ATOM 0 HB ILE A 21 5.738 1.164 6.768 1.00 0.00 H new ATOM 0 HG12 ILE A 21 8.508 1.629 5.616 1.00 0.00 H new ATOM 0 HG13 ILE A 21 7.515 0.302 5.047 1.00 0.00 H new ATOM 0 HG21 ILE A 21 6.954 3.325 7.204 1.00 0.00 H new ATOM 0 HG22 ILE A 21 6.716 2.386 8.697 1.00 0.00 H new ATOM 0 HG23 ILE A 21 8.307 2.400 7.900 1.00 0.00 H new ATOM 0 HD11 ILE A 21 7.240 2.286 3.597 1.00 0.00 H new ATOM 0 HD12 ILE A 21 5.709 1.904 4.420 1.00 0.00 H new ATOM 0 HD13 ILE A 21 6.718 3.252 4.998 1.00 0.00 H new ATOM 409 N VAL A 22 5.421 -0.142 9.331 1.00 0.00 N ATOM 410 CA VAL A 22 4.828 -0.176 10.680 1.00 0.00 C ATOM 411 C VAL A 22 5.161 -1.484 11.386 1.00 0.00 C ATOM 412 O VAL A 22 5.428 -1.457 12.582 1.00 0.00 O ATOM 413 CB VAL A 22 3.308 0.067 10.636 1.00 0.00 C ATOM 414 CG1 VAL A 22 2.661 0.035 12.028 1.00 0.00 C ATOM 415 CG2 VAL A 22 3.006 1.437 9.996 1.00 0.00 C ATOM 0 H VAL A 22 4.726 -0.145 8.585 1.00 0.00 H new ATOM 0 HA VAL A 22 5.268 0.638 11.257 1.00 0.00 H new ATOM 0 HB VAL A 22 2.886 -0.744 10.042 1.00 0.00 H new ATOM 0 HG11 VAL A 22 1.590 0.212 11.935 1.00 0.00 H new ATOM 0 HG12 VAL A 22 2.829 -0.940 12.485 1.00 0.00 H new ATOM 0 HG13 VAL A 22 3.104 0.810 12.653 1.00 0.00 H new ATOM 0 HG21 VAL A 22 1.928 1.597 9.971 1.00 0.00 H new ATOM 0 HG22 VAL A 22 3.476 2.225 10.584 1.00 0.00 H new ATOM 0 HG23 VAL A 22 3.400 1.459 8.980 1.00 0.00 H new ATOM 425 N GLY A 23 5.260 -2.606 10.673 1.00 0.00 N ATOM 426 CA GLY A 23 5.628 -3.906 11.243 1.00 0.00 C ATOM 427 C GLY A 23 6.977 -3.925 11.986 1.00 0.00 C ATOM 428 O GLY A 23 7.175 -4.764 12.866 1.00 0.00 O ATOM 0 H GLY A 23 5.085 -2.640 9.669 1.00 0.00 H new ATOM 0 HA2 GLY A 23 4.844 -4.220 11.933 1.00 0.00 H new ATOM 0 HA3 GLY A 23 5.660 -4.643 10.441 1.00 0.00 H new ATOM 432 N GLY A 24 7.886 -2.991 11.668 1.00 0.00 N ATOM 433 CA GLY A 24 9.178 -2.796 12.344 1.00 0.00 C ATOM 434 C GLY A 24 9.261 -1.534 13.217 1.00 0.00 C ATOM 435 O GLY A 24 10.093 -1.482 14.126 1.00 0.00 O ATOM 0 H GLY A 24 7.737 -2.328 10.907 1.00 0.00 H new ATOM 0 HA2 GLY A 24 9.382 -3.667 12.967 1.00 0.00 H new ATOM 0 HA3 GLY A 24 9.964 -2.752 11.590 1.00 0.00 H new ATOM 439 N LEU A 25 8.405 -0.529 12.985 1.00 0.00 N ATOM 440 CA LEU A 25 8.340 0.713 13.775 1.00 0.00 C ATOM 441 C LEU A 25 7.362 0.645 14.961 1.00 0.00 C ATOM 442 O LEU A 25 7.577 1.336 15.954 1.00 0.00 O ATOM 443 CB LEU A 25 7.981 1.901 12.861 1.00 0.00 C ATOM 444 CG LEU A 25 9.052 2.275 11.817 1.00 0.00 C ATOM 445 CD1 LEU A 25 8.521 3.412 10.944 1.00 0.00 C ATOM 446 CD2 LEU A 25 10.362 2.758 12.446 1.00 0.00 C ATOM 0 H LEU A 25 7.723 -0.555 12.227 1.00 0.00 H new ATOM 0 HA LEU A 25 9.331 0.853 14.206 1.00 0.00 H new ATOM 0 HB2 LEU A 25 7.053 1.669 12.338 1.00 0.00 H new ATOM 0 HB3 LEU A 25 7.786 2.773 13.485 1.00 0.00 H new ATOM 0 HG LEU A 25 9.259 1.371 11.245 1.00 0.00 H new ATOM 0 HD11 LEU A 25 9.273 3.683 10.203 1.00 0.00 H new ATOM 0 HD12 LEU A 25 7.612 3.088 10.437 1.00 0.00 H new ATOM 0 HD13 LEU A 25 8.299 4.277 11.569 1.00 0.00 H new ATOM 0 HD21 LEU A 25 11.074 3.005 11.659 1.00 0.00 H new ATOM 0 HD22 LEU A 25 10.170 3.643 13.053 1.00 0.00 H new ATOM 0 HD23 LEU A 25 10.776 1.970 13.075 1.00 0.00 H new ATOM 458 N VAL A 26 6.323 -0.197 14.918 1.00 0.00 N ATOM 459 CA VAL A 26 5.316 -0.349 15.992 1.00 0.00 C ATOM 460 C VAL A 26 5.923 -0.818 17.321 1.00 0.00 C ATOM 461 O VAL A 26 5.438 -0.456 18.395 1.00 0.00 O ATOM 462 CB VAL A 26 4.170 -1.275 15.530 1.00 0.00 C ATOM 463 CG1 VAL A 26 4.576 -2.750 15.374 1.00 0.00 C ATOM 464 CG2 VAL A 26 2.936 -1.198 16.436 1.00 0.00 C ATOM 0 H VAL A 26 6.149 -0.809 14.120 1.00 0.00 H new ATOM 0 HA VAL A 26 4.904 0.641 16.188 1.00 0.00 H new ATOM 0 HB VAL A 26 3.918 -0.888 14.543 1.00 0.00 H new ATOM 0 HG11 VAL A 26 3.714 -3.332 15.047 1.00 0.00 H new ATOM 0 HG12 VAL A 26 5.372 -2.832 14.633 1.00 0.00 H new ATOM 0 HG13 VAL A 26 4.930 -3.133 16.331 1.00 0.00 H new ATOM 0 HG21 VAL A 26 2.166 -1.871 16.059 1.00 0.00 H new ATOM 0 HG22 VAL A 26 3.210 -1.491 17.450 1.00 0.00 H new ATOM 0 HG23 VAL A 26 2.554 -0.177 16.444 1.00 0.00 H new ATOM 474 N LYS A 27 7.021 -1.584 17.252 1.00 0.00 N ATOM 475 CA LYS A 27 7.774 -2.112 18.401 1.00 0.00 C ATOM 476 C LYS A 27 8.808 -1.135 18.997 1.00 0.00 C ATOM 477 O LYS A 27 9.283 -1.380 20.107 1.00 0.00 O ATOM 478 CB LYS A 27 8.398 -3.464 17.999 1.00 0.00 C ATOM 479 CG LYS A 27 9.643 -3.385 17.089 1.00 0.00 C ATOM 480 CD LYS A 27 10.947 -3.566 17.884 1.00 0.00 C ATOM 481 CE LYS A 27 12.195 -3.646 16.994 1.00 0.00 C ATOM 482 NZ LYS A 27 12.681 -2.306 16.579 1.00 0.00 N ATOM 0 H LYS A 27 7.426 -1.865 16.359 1.00 0.00 H new ATOM 0 HA LYS A 27 7.069 -2.257 19.220 1.00 0.00 H new ATOM 0 HB2 LYS A 27 8.669 -4.002 18.907 1.00 0.00 H new ATOM 0 HB3 LYS A 27 7.637 -4.057 17.492 1.00 0.00 H new ATOM 0 HG2 LYS A 27 9.578 -4.153 16.318 1.00 0.00 H new ATOM 0 HG3 LYS A 27 9.659 -2.422 16.579 1.00 0.00 H new ATOM 0 HD2 LYS A 27 11.058 -2.735 18.580 1.00 0.00 H new ATOM 0 HD3 LYS A 27 10.877 -4.475 18.482 1.00 0.00 H new ATOM 0 HE2 LYS A 27 12.988 -4.167 17.531 1.00 0.00 H new ATOM 0 HE3 LYS A 27 11.968 -4.238 16.107 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 13.659 -2.383 16.235 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 12.075 -1.937 15.819 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 12.650 -1.658 17.392 1.00 0.00 H new ATOM 496 N LYS A 28 9.133 -0.049 18.275 1.00 0.00 N ATOM 497 CA LYS A 28 10.199 0.952 18.524 1.00 0.00 C ATOM 498 C LYS A 28 11.481 0.374 19.154 1.00 0.00 C ATOM 499 O LYS A 28 11.760 0.604 20.354 1.00 0.00 O ATOM 500 CB LYS A 28 9.632 2.172 19.283 1.00 0.00 C ATOM 501 CG LYS A 28 8.574 2.925 18.461 1.00 0.00 C ATOM 502 CD LYS A 28 8.274 4.316 19.033 1.00 0.00 C ATOM 503 CE LYS A 28 7.271 5.040 18.122 1.00 0.00 C ATOM 504 NZ LYS A 28 7.677 6.443 17.846 1.00 0.00 N ATOM 505 OXT LYS A 28 12.234 -0.288 18.403 1.00 0.00 O ATOM 0 H LYS A 28 8.614 0.176 17.426 1.00 0.00 H new ATOM 0 HA LYS A 28 10.537 1.299 17.548 1.00 0.00 H new ATOM 0 HB2 LYS A 28 9.191 1.840 20.223 1.00 0.00 H new ATOM 0 HB3 LYS A 28 10.446 2.852 19.535 1.00 0.00 H new ATOM 0 HG2 LYS A 28 8.920 3.025 17.432 1.00 0.00 H new ATOM 0 HG3 LYS A 28 7.655 2.340 18.433 1.00 0.00 H new ATOM 0 HD2 LYS A 28 7.867 4.227 20.040 1.00 0.00 H new ATOM 0 HD3 LYS A 28 9.194 4.895 19.111 1.00 0.00 H new ATOM 0 HE2 LYS A 28 7.180 4.498 17.181 1.00 0.00 H new ATOM 0 HE3 LYS A 28 6.287 5.033 18.590 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 6.972 6.893 17.228 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 7.739 6.969 18.741 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 8.604 6.450 17.376 1.00 0.00 H new TER 519 LYS A 28