USER MOD reduce.3.24.130724 H: found=0, std=0, add=139, rem=0, adj=3 USER MOD reduce.3.24.130724 removed 139 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 ARG N :NH3+ 154:sc= -2.77 (180deg=-5!) USER MOD Single : A 2 GLN : amide:sc= -0.029 X(o=-0.029,f=-0.063) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ -122:sc= 0 (180deg=-0.0743) USER MOD Single : A 12 LYS NZ :NH3+ -123:sc= 0 (180deg=-0.062) USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 1 1.919 8.618 -5.608 1.00 15.00 N ATOM 2 CA ARG A 1 2.775 8.649 -4.386 1.00 15.00 C ATOM 3 C ARG A 1 1.909 8.498 -3.130 1.00 15.00 C ATOM 4 O ARG A 1 1.827 9.391 -2.309 1.00 15.00 O ATOM 5 CB ARG A 1 3.471 10.015 -4.403 1.00 15.00 C ATOM 6 CG ARG A 1 2.441 11.141 -4.359 1.00 15.00 C ATOM 7 CD ARG A 1 2.306 11.779 -5.739 1.00 15.00 C ATOM 8 NE ARG A 1 1.140 11.107 -6.377 1.00 15.00 N ATOM 9 CZ ARG A 1 1.142 10.879 -7.661 1.00 15.00 C ATOM 10 NH1 ARG A 1 1.479 11.828 -8.491 1.00 15.00 N ATOM 11 NH2 ARG A 1 0.805 9.703 -8.117 1.00 15.00 N ATOM 0 H1 ARG A 1 2.391 9.137 -6.376 1.00 15.00 H new ATOM 0 H2 ARG A 1 1.766 7.632 -5.900 1.00 15.00 H new ATOM 0 H3 ARG A 1 1.002 9.064 -5.401 1.00 15.00 H new ATOM 0 HA ARG A 1 3.498 7.834 -4.375 1.00 15.00 H new ATOM 0 HB2 ARG A 1 4.145 10.097 -3.550 1.00 15.00 H new ATOM 0 HB3 ARG A 1 4.081 10.108 -5.301 1.00 15.00 H new ATOM 0 HG2 ARG A 1 1.477 10.750 -4.034 1.00 15.00 H new ATOM 0 HG3 ARG A 1 2.743 11.893 -3.630 1.00 15.00 H new ATOM 0 HD2 ARG A 1 2.144 12.854 -5.660 1.00 15.00 H new ATOM 0 HD3 ARG A 1 3.212 11.635 -6.328 1.00 15.00 H new ATOM 0 HE ARG A 1 0.340 10.825 -5.810 1.00 15.00 H new ATOM 0 HH11 ARG A 1 1.741 12.747 -8.135 1.00 15.00 H new ATOM 0 HH12 ARG A 1 1.481 11.650 -9.495 1.00 15.00 H new ATOM 0 HH21 ARG A 1 0.540 8.961 -7.469 1.00 15.00 H new ATOM 0 HH22 ARG A 1 0.807 9.526 -9.121 1.00 15.00 H new ATOM 27 N GLN A 2 1.263 7.373 -2.976 1.00 15.00 N ATOM 28 CA GLN A 2 0.401 7.163 -1.775 1.00 15.00 C ATOM 29 C GLN A 2 0.871 5.935 -0.997 1.00 15.00 C ATOM 30 O GLN A 2 0.938 5.948 0.213 1.00 15.00 O ATOM 31 CB GLN A 2 -1.006 6.941 -2.329 1.00 15.00 C ATOM 32 CG GLN A 2 -1.970 7.936 -1.687 1.00 15.00 C ATOM 33 CD GLN A 2 -1.667 9.345 -2.197 1.00 15.00 C ATOM 34 OE1 GLN A 2 -1.724 9.601 -3.383 1.00 15.00 O ATOM 35 NE2 GLN A 2 -1.343 10.277 -1.344 1.00 15.00 N ATOM 0 H GLN A 2 1.294 6.590 -3.629 1.00 15.00 H new ATOM 0 HA GLN A 2 0.438 8.008 -1.088 1.00 15.00 H new ATOM 0 HB2 GLN A 2 -1.006 7.066 -3.412 1.00 15.00 H new ATOM 0 HB3 GLN A 2 -1.331 5.921 -2.126 1.00 15.00 H new ATOM 0 HG2 GLN A 2 -2.999 7.666 -1.924 1.00 15.00 H new ATOM 0 HG3 GLN A 2 -1.874 7.903 -0.602 1.00 15.00 H new ATOM 0 HE21 GLN A 2 -1.295 10.062 -0.348 1.00 15.00 H new ATOM 0 HE22 GLN A 2 -1.138 11.220 -1.673 1.00 15.00 H new ATOM 44 N ILE A 3 1.214 4.886 -1.693 1.00 15.00 N ATOM 45 CA ILE A 3 1.704 3.647 -1.042 1.00 15.00 C ATOM 46 C ILE A 3 0.962 3.320 0.268 1.00 15.00 C ATOM 47 O ILE A 3 1.545 2.862 1.232 1.00 15.00 O ATOM 48 CB ILE A 3 3.189 3.922 -0.837 1.00 15.00 C ATOM 49 CG1 ILE A 3 3.929 2.612 -1.032 1.00 15.00 C ATOM 50 CG2 ILE A 3 3.484 4.505 0.554 1.00 15.00 C ATOM 51 CD1 ILE A 3 3.432 1.597 -0.001 1.00 15.00 C ATOM 0 H ILE A 3 1.172 4.839 -2.711 1.00 15.00 H new ATOM 0 HA ILE A 3 1.524 2.758 -1.646 1.00 15.00 H new ATOM 0 HB ILE A 3 3.520 4.669 -1.559 1.00 15.00 H new ATOM 0 HG12 ILE A 3 3.765 2.234 -2.041 1.00 15.00 H new ATOM 0 HG13 ILE A 3 5.002 2.766 -0.920 1.00 15.00 H new ATOM 0 HG21 ILE A 3 4.554 4.684 0.654 1.00 15.00 H new ATOM 0 HG22 ILE A 3 2.946 5.445 0.676 1.00 15.00 H new ATOM 0 HG23 ILE A 3 3.161 3.800 1.320 1.00 15.00 H new ATOM 0 HD11 ILE A 3 3.960 0.653 -0.136 1.00 15.00 H new ATOM 0 HD12 ILE A 3 3.619 1.977 1.003 1.00 15.00 H new ATOM 0 HD13 ILE A 3 2.362 1.437 -0.135 1.00 15.00 H new ATOM 63 N LYS A 4 -0.321 3.521 0.303 1.00 15.00 N ATOM 64 CA LYS A 4 -1.085 3.188 1.528 1.00 15.00 C ATOM 65 C LYS A 4 -2.076 2.075 1.203 1.00 15.00 C ATOM 66 O LYS A 4 -2.200 1.106 1.928 1.00 15.00 O ATOM 67 CB LYS A 4 -1.779 4.483 1.910 1.00 15.00 C ATOM 68 CG LYS A 4 -0.718 5.497 2.306 1.00 15.00 C ATOM 69 CD LYS A 4 -1.038 6.071 3.687 1.00 15.00 C ATOM 70 CE LYS A 4 0.266 6.363 4.433 1.00 15.00 C ATOM 71 NZ LYS A 4 -0.129 7.243 5.568 1.00 15.00 N ATOM 0 H LYS A 4 -0.873 3.902 -0.465 1.00 15.00 H new ATOM 0 HA LYS A 4 -0.468 2.825 2.350 1.00 15.00 H new ATOM 0 HB2 LYS A 4 -2.369 4.858 1.074 1.00 15.00 H new ATOM 0 HB3 LYS A 4 -2.469 4.314 2.736 1.00 15.00 H new ATOM 0 HG2 LYS A 4 0.264 5.024 2.318 1.00 15.00 H new ATOM 0 HG3 LYS A 4 -0.676 6.299 1.570 1.00 15.00 H new ATOM 0 HD2 LYS A 4 -1.624 6.985 3.586 1.00 15.00 H new ATOM 0 HD3 LYS A 4 -1.644 5.365 4.255 1.00 15.00 H new ATOM 0 HE2 LYS A 4 0.731 5.444 4.789 1.00 15.00 H new ATOM 0 HE3 LYS A 4 0.990 6.856 3.784 1.00 15.00 H new ATOM 0 HZ1 LYS A 4 0.713 7.487 6.128 1.00 15.00 H new ATOM 0 HZ2 LYS A 4 -0.563 8.113 5.198 1.00 15.00 H new ATOM 0 HZ3 LYS A 4 -0.813 6.745 6.172 1.00 15.00 H new ATOM 85 N ILE A 5 -2.737 2.179 0.085 1.00 15.00 N ATOM 86 CA ILE A 5 -3.670 1.097 -0.331 1.00 15.00 C ATOM 87 C ILE A 5 -2.824 -0.074 -0.836 1.00 15.00 C ATOM 88 O ILE A 5 -3.285 -1.187 -0.990 1.00 15.00 O ATOM 89 CB ILE A 5 -4.510 1.696 -1.466 1.00 15.00 C ATOM 90 CG1 ILE A 5 -5.034 3.079 -1.061 1.00 15.00 C ATOM 91 CG2 ILE A 5 -5.693 0.776 -1.769 1.00 15.00 C ATOM 92 CD1 ILE A 5 -5.527 3.048 0.388 1.00 15.00 C ATOM 0 H ILE A 5 -2.671 2.967 -0.559 1.00 15.00 H new ATOM 0 HA ILE A 5 -4.313 0.739 0.473 1.00 15.00 H new ATOM 0 HB ILE A 5 -3.885 1.795 -2.353 1.00 15.00 H new ATOM 0 HG12 ILE A 5 -4.244 3.822 -1.169 1.00 15.00 H new ATOM 0 HG13 ILE A 5 -5.846 3.378 -1.724 1.00 15.00 H new ATOM 0 HG21 ILE A 5 -6.289 1.203 -2.576 1.00 15.00 H new ATOM 0 HG22 ILE A 5 -5.324 -0.204 -2.070 1.00 15.00 H new ATOM 0 HG23 ILE A 5 -6.311 0.672 -0.877 1.00 15.00 H new ATOM 0 HD11 ILE A 5 -5.897 4.034 0.667 1.00 15.00 H new ATOM 0 HD12 ILE A 5 -6.331 2.318 0.483 1.00 15.00 H new ATOM 0 HD13 ILE A 5 -4.704 2.770 1.046 1.00 15.00 H new ATOM 104 N TRP A 6 -1.566 0.197 -1.068 1.00 15.00 N ATOM 105 CA TRP A 6 -0.615 -0.846 -1.538 1.00 15.00 C ATOM 106 C TRP A 6 -0.027 -1.535 -0.334 1.00 15.00 C ATOM 107 O TRP A 6 -0.101 -2.736 -0.165 1.00 15.00 O ATOM 108 CB TRP A 6 0.483 -0.061 -2.248 1.00 15.00 C ATOM 109 CG TRP A 6 -0.039 0.479 -3.516 1.00 15.00 C ATOM 110 CD1 TRP A 6 0.148 -0.098 -4.697 1.00 15.00 C ATOM 111 CD2 TRP A 6 -0.814 1.679 -3.751 1.00 15.00 C ATOM 112 NE1 TRP A 6 -0.468 0.657 -5.673 1.00 15.00 N ATOM 113 CE2 TRP A 6 -1.079 1.771 -5.134 1.00 15.00 C ATOM 114 CE3 TRP A 6 -1.309 2.681 -2.906 1.00 15.00 C ATOM 115 CZ2 TRP A 6 -1.813 2.823 -5.668 1.00 15.00 C ATOM 116 CZ3 TRP A 6 -2.051 3.749 -3.437 1.00 15.00 C ATOM 117 CH2 TRP A 6 -2.303 3.819 -4.817 1.00 15.00 C ATOM 0 H TRP A 6 -1.151 1.121 -0.947 1.00 15.00 H new ATOM 0 HA TRP A 6 -1.080 -1.595 -2.179 1.00 15.00 H new ATOM 0 HB2 TRP A 6 0.833 0.752 -1.611 1.00 15.00 H new ATOM 0 HB3 TRP A 6 1.340 -0.707 -2.441 1.00 15.00 H new ATOM 0 HD1 TRP A 6 0.696 -1.013 -4.867 1.00 15.00 H new ATOM 0 HE1 TRP A 6 -0.472 0.422 -6.666 1.00 15.00 H new ATOM 0 HE3 TRP A 6 -1.120 2.632 -1.844 1.00 15.00 H new ATOM 0 HZ2 TRP A 6 -2.003 2.871 -6.730 1.00 15.00 H new ATOM 0 HZ3 TRP A 6 -2.429 4.519 -2.781 1.00 15.00 H new ATOM 0 HH2 TRP A 6 -2.875 4.641 -5.221 1.00 15.00 H new ATOM 128 N PHE A 7 0.538 -0.744 0.517 1.00 15.00 N ATOM 129 CA PHE A 7 1.136 -1.275 1.776 1.00 15.00 C ATOM 130 C PHE A 7 0.107 -2.156 2.491 1.00 15.00 C ATOM 131 O PHE A 7 0.436 -2.968 3.332 1.00 15.00 O ATOM 132 CB PHE A 7 1.441 -0.027 2.612 1.00 15.00 C ATOM 133 CG PHE A 7 1.852 -0.433 4.008 1.00 15.00 C ATOM 134 CD1 PHE A 7 3.129 -0.955 4.236 1.00 15.00 C ATOM 135 CD2 PHE A 7 0.954 -0.285 5.072 1.00 15.00 C ATOM 136 CE1 PHE A 7 3.510 -1.331 5.530 1.00 15.00 C ATOM 137 CE2 PHE A 7 1.335 -0.661 6.366 1.00 15.00 C ATOM 138 CZ PHE A 7 2.613 -1.183 6.595 1.00 15.00 C ATOM 0 H PHE A 7 0.616 0.266 0.399 1.00 15.00 H new ATOM 0 HA PHE A 7 2.026 -1.881 1.605 1.00 15.00 H new ATOM 0 HB2 PHE A 7 2.237 0.551 2.142 1.00 15.00 H new ATOM 0 HB3 PHE A 7 0.563 0.617 2.655 1.00 15.00 H new ATOM 0 HD1 PHE A 7 3.821 -1.068 3.415 1.00 15.00 H new ATOM 0 HD2 PHE A 7 -0.032 0.119 4.895 1.00 15.00 H new ATOM 0 HE1 PHE A 7 4.496 -1.735 5.707 1.00 15.00 H new ATOM 0 HE2 PHE A 7 0.643 -0.548 7.187 1.00 15.00 H new ATOM 0 HZ PHE A 7 2.907 -1.472 7.593 1.00 15.00 H new ATOM 148 N ARG A 8 -1.142 -1.976 2.160 1.00 15.00 N ATOM 149 CA ARG A 8 -2.221 -2.754 2.798 1.00 15.00 C ATOM 150 C ARG A 8 -2.548 -4.017 1.991 1.00 15.00 C ATOM 151 O ARG A 8 -3.334 -4.842 2.412 1.00 15.00 O ATOM 152 CB ARG A 8 -3.380 -1.778 2.772 1.00 15.00 C ATOM 153 CG ARG A 8 -4.315 -2.067 3.934 1.00 15.00 C ATOM 154 CD ARG A 8 -3.575 -1.725 5.225 1.00 15.00 C ATOM 155 NE ARG A 8 -4.408 -0.686 5.890 1.00 15.00 N ATOM 156 CZ ARG A 8 -4.371 -0.553 7.189 1.00 15.00 C ATOM 157 NH1 ARG A 8 -3.226 -0.565 7.812 1.00 15.00 N ATOM 158 NH2 ARG A 8 -5.480 -0.408 7.862 1.00 15.00 N ATOM 0 H ARG A 8 -1.458 -1.306 1.459 1.00 15.00 H new ATOM 0 HA ARG A 8 -1.969 -3.110 3.797 1.00 15.00 H new ATOM 0 HB2 ARG A 8 -3.009 -0.755 2.836 1.00 15.00 H new ATOM 0 HB3 ARG A 8 -3.919 -1.863 1.828 1.00 15.00 H new ATOM 0 HG2 ARG A 8 -5.226 -1.475 3.848 1.00 15.00 H new ATOM 0 HG3 ARG A 8 -4.615 -3.115 3.932 1.00 15.00 H new ATOM 0 HD2 ARG A 8 -3.463 -2.604 5.859 1.00 15.00 H new ATOM 0 HD3 ARG A 8 -2.572 -1.352 5.017 1.00 15.00 H new ATOM 0 HE ARG A 8 -5.007 -0.078 5.332 1.00 15.00 H new ATOM 0 HH11 ARG A 8 -2.360 -0.678 7.285 1.00 15.00 H new ATOM 0 HH12 ARG A 8 -3.196 -0.461 8.826 1.00 15.00 H new ATOM 0 HH21 ARG A 8 -6.375 -0.399 7.374 1.00 15.00 H new ATOM 0 HH22 ARG A 8 -5.451 -0.304 8.876 1.00 15.00 H new ATOM 172 N LYS A 9 -1.960 -4.172 0.834 1.00 15.00 N ATOM 173 CA LYS A 9 -2.249 -5.378 0.005 1.00 15.00 C ATOM 174 C LYS A 9 -1.054 -6.337 0.012 1.00 15.00 C ATOM 175 O LYS A 9 -1.092 -7.382 0.633 1.00 15.00 O ATOM 176 CB LYS A 9 -2.495 -4.839 -1.405 1.00 15.00 C ATOM 177 CG LYS A 9 -4.000 -4.738 -1.659 1.00 15.00 C ATOM 178 CD LYS A 9 -4.611 -6.141 -1.680 1.00 15.00 C ATOM 179 CE LYS A 9 -5.995 -6.085 -2.329 1.00 15.00 C ATOM 180 NZ LYS A 9 -6.509 -7.481 -2.259 1.00 15.00 N ATOM 0 H LYS A 9 -1.293 -3.516 0.428 1.00 15.00 H new ATOM 0 HA LYS A 9 -3.102 -5.940 0.385 1.00 15.00 H new ATOM 0 HB2 LYS A 9 -2.030 -3.859 -1.517 1.00 15.00 H new ATOM 0 HB3 LYS A 9 -2.035 -5.497 -2.142 1.00 15.00 H new ATOM 0 HG2 LYS A 9 -4.471 -4.137 -0.881 1.00 15.00 H new ATOM 0 HG3 LYS A 9 -4.186 -4.235 -2.608 1.00 15.00 H new ATOM 0 HD2 LYS A 9 -3.965 -6.822 -2.234 1.00 15.00 H new ATOM 0 HD3 LYS A 9 -4.689 -6.530 -0.665 1.00 15.00 H new ATOM 0 HE2 LYS A 9 -6.652 -5.395 -1.799 1.00 15.00 H new ATOM 0 HE3 LYS A 9 -5.934 -5.738 -3.360 1.00 15.00 H new ATOM 0 HZ1 LYS A 9 -7.457 -7.524 -2.686 1.00 15.00 H new ATOM 0 HZ2 LYS A 9 -5.867 -8.114 -2.778 1.00 15.00 H new ATOM 0 HZ3 LYS A 9 -6.563 -7.782 -1.265 1.00 15.00 H new ATOM 194 N TRP A 10 0.001 -5.998 -0.681 1.00 15.00 N ATOM 195 CA TRP A 10 1.188 -6.889 -0.724 1.00 15.00 C ATOM 196 C TRP A 10 2.100 -6.607 0.484 1.00 15.00 C ATOM 197 O TRP A 10 1.742 -6.882 1.613 1.00 15.00 O ATOM 198 CB TRP A 10 1.875 -6.538 -2.051 1.00 15.00 C ATOM 199 CG TRP A 10 0.862 -6.422 -3.147 1.00 15.00 C ATOM 200 CD1 TRP A 10 0.920 -5.526 -4.150 1.00 15.00 C ATOM 201 CD2 TRP A 10 -0.353 -7.195 -3.362 1.00 15.00 C ATOM 202 NE1 TRP A 10 -0.176 -5.709 -4.971 1.00 15.00 N ATOM 203 CE2 TRP A 10 -0.989 -6.724 -4.527 1.00 15.00 C ATOM 204 CE3 TRP A 10 -0.951 -8.249 -2.669 1.00 15.00 C ATOM 205 CZ2 TRP A 10 -2.182 -7.280 -4.990 1.00 15.00 C ATOM 206 CZ3 TRP A 10 -2.153 -8.816 -3.123 1.00 15.00 C ATOM 207 CH2 TRP A 10 -2.767 -8.331 -4.285 1.00 15.00 C ATOM 0 H TRP A 10 0.088 -5.137 -1.221 1.00 15.00 H new ATOM 0 HA TRP A 10 0.936 -7.948 -0.671 1.00 15.00 H new ATOM 0 HB2 TRP A 10 2.419 -5.599 -1.949 1.00 15.00 H new ATOM 0 HB3 TRP A 10 2.607 -7.305 -2.303 1.00 15.00 H new ATOM 0 HD1 TRP A 10 1.695 -4.787 -4.290 1.00 15.00 H new ATOM 0 HE1 TRP A 10 -0.360 -5.156 -5.808 1.00 15.00 H new ATOM 0 HE3 TRP A 10 -0.484 -8.633 -1.774 1.00 15.00 H new ATOM 0 HZ2 TRP A 10 -2.648 -6.900 -5.887 1.00 15.00 H new ATOM 0 HZ3 TRP A 10 -2.606 -9.629 -2.574 1.00 15.00 H new ATOM 0 HH2 TRP A 10 -3.690 -8.770 -4.634 1.00 15.00 H new ATOM 218 N LYS A 11 3.265 -6.055 0.260 1.00 15.00 N ATOM 219 CA LYS A 11 4.188 -5.746 1.388 1.00 15.00 C ATOM 220 C LYS A 11 5.263 -4.795 0.876 1.00 15.00 C ATOM 221 O LYS A 11 6.397 -4.830 1.309 1.00 15.00 O ATOM 222 CB LYS A 11 4.808 -7.079 1.816 1.00 15.00 C ATOM 223 CG LYS A 11 5.453 -7.757 0.609 1.00 15.00 C ATOM 224 CD LYS A 11 4.454 -8.734 -0.003 1.00 15.00 C ATOM 225 CE LYS A 11 4.518 -8.650 -1.528 1.00 15.00 C ATOM 226 NZ LYS A 11 5.808 -9.299 -1.896 1.00 15.00 N ATOM 0 H LYS A 11 3.617 -5.804 -0.664 1.00 15.00 H new ATOM 0 HA LYS A 11 3.680 -5.276 2.230 1.00 15.00 H new ATOM 0 HB2 LYS A 11 5.554 -6.911 2.593 1.00 15.00 H new ATOM 0 HB3 LYS A 11 4.043 -7.727 2.243 1.00 15.00 H new ATOM 0 HG2 LYS A 11 5.750 -7.011 -0.128 1.00 15.00 H new ATOM 0 HG3 LYS A 11 6.358 -8.284 0.912 1.00 15.00 H new ATOM 0 HD2 LYS A 11 4.677 -9.750 0.324 1.00 15.00 H new ATOM 0 HD3 LYS A 11 3.446 -8.502 0.342 1.00 15.00 H new ATOM 0 HE2 LYS A 11 3.673 -9.163 -1.987 1.00 15.00 H new ATOM 0 HE3 LYS A 11 4.486 -7.615 -1.868 1.00 15.00 H new ATOM 0 HZ1 LYS A 11 6.396 -8.626 -2.427 1.00 15.00 H new ATOM 0 HZ2 LYS A 11 6.309 -9.590 -1.032 1.00 15.00 H new ATOM 0 HZ3 LYS A 11 5.620 -10.135 -2.486 1.00 15.00 H new ATOM 240 N LYS A 12 4.890 -3.966 -0.070 1.00 15.00 N ATOM 241 CA LYS A 12 5.829 -2.987 -0.704 1.00 15.00 C ATOM 242 C LYS A 12 7.301 -3.283 -0.374 1.00 15.00 C ATOM 243 O LYS A 12 7.748 -4.374 -0.687 1.00 15.00 O ATOM 244 CB LYS A 12 5.414 -1.590 -0.196 1.00 15.00 C ATOM 245 CG LYS A 12 4.709 -1.679 1.165 1.00 15.00 C ATOM 246 CD LYS A 12 5.696 -2.172 2.221 1.00 15.00 C ATOM 247 CE LYS A 12 6.341 -0.972 2.920 1.00 15.00 C ATOM 248 NZ LYS A 12 6.902 -1.520 4.185 1.00 15.00 N ATOM 249 OXT LYS A 12 7.955 -2.414 0.180 1.00 15.00 O ATOM 0 H LYS A 12 3.940 -3.927 -0.441 1.00 15.00 H new ATOM 0 HA LYS A 12 5.760 -3.053 -1.790 1.00 15.00 H new ATOM 0 HB2 LYS A 12 6.296 -0.955 -0.111 1.00 15.00 H new ATOM 0 HB3 LYS A 12 4.751 -1.119 -0.922 1.00 15.00 H new ATOM 0 HG2 LYS A 12 4.316 -0.702 1.447 1.00 15.00 H new ATOM 0 HG3 LYS A 12 3.859 -2.358 1.102 1.00 15.00 H new ATOM 0 HD2 LYS A 12 5.182 -2.797 2.951 1.00 15.00 H new ATOM 0 HD3 LYS A 12 6.463 -2.791 1.756 1.00 15.00 H new ATOM 0 HE2 LYS A 12 7.121 -0.528 2.302 1.00 15.00 H new ATOM 0 HE3 LYS A 12 5.608 -0.190 3.119 1.00 15.00 H new ATOM 0 HZ1 LYS A 12 6.502 -1.004 4.994 1.00 15.00 H new ATOM 0 HZ2 LYS A 12 6.660 -2.528 4.264 1.00 15.00 H new ATOM 0 HZ3 LYS A 12 7.936 -1.411 4.182 1.00 15.00 H new TER 263 LYS A 12