USER MOD reduce.3.24.130724 H: found=0, std=0, add=139, rem=0, adj=0 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 GLN : amide:sc= -2.07 X(o=-2.1,f=-1.7) 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 1 2.529 8.565 -5.269 1.00 15.00 N ATOM 2 CA ARG A 1 2.689 9.292 -3.977 1.00 15.00 C ATOM 3 C ARG A 1 1.560 8.914 -3.015 1.00 15.00 C ATOM 4 O ARG A 1 0.928 9.765 -2.420 1.00 15.00 O ATOM 5 CB ARG A 1 2.608 10.775 -4.346 1.00 15.00 C ATOM 6 CG ARG A 1 3.682 11.557 -3.592 1.00 15.00 C ATOM 7 CD ARG A 1 3.162 11.944 -2.209 1.00 15.00 C ATOM 8 NE ARG A 1 3.224 10.697 -1.397 1.00 15.00 N ATOM 9 CZ ARG A 1 2.730 10.680 -0.190 1.00 15.00 C ATOM 10 NH1 ARG A 1 1.443 10.554 -0.013 1.00 15.00 N ATOM 11 NH2 ARG A 1 3.522 10.789 0.841 1.00 15.00 N ATOM 0 H1 ARG A 1 3.301 8.829 -5.914 1.00 15.00 H new ATOM 0 H2 ARG A 1 2.558 7.540 -5.096 1.00 15.00 H new ATOM 0 H3 ARG A 1 1.617 8.818 -5.699 1.00 15.00 H new ATOM 0 HA ARG A 1 3.626 9.047 -3.477 1.00 15.00 H new ATOM 0 HB2 ARG A 1 2.742 10.899 -5.421 1.00 15.00 H new ATOM 0 HB3 ARG A 1 1.621 11.167 -4.101 1.00 15.00 H new ATOM 0 HG2 ARG A 1 4.585 10.954 -3.496 1.00 15.00 H new ATOM 0 HG3 ARG A 1 3.955 12.452 -4.152 1.00 15.00 H new ATOM 0 HD2 ARG A 1 3.772 12.731 -1.766 1.00 15.00 H new ATOM 0 HD3 ARG A 1 2.142 12.325 -2.266 1.00 15.00 H new ATOM 0 HE ARG A 1 3.653 9.857 -1.785 1.00 15.00 H new ATOM 0 HH11 ARG A 1 0.823 10.469 -0.819 1.00 15.00 H new ATOM 0 HH12 ARG A 1 1.057 10.541 0.931 1.00 15.00 H new ATOM 0 HH21 ARG A 1 4.528 10.888 0.703 1.00 15.00 H new ATOM 0 HH22 ARG A 1 3.135 10.776 1.785 1.00 15.00 H new ATOM 27 N GLN A 2 1.303 7.642 -2.856 1.00 15.00 N ATOM 28 CA GLN A 2 0.216 7.208 -1.931 1.00 15.00 C ATOM 29 C GLN A 2 0.668 5.996 -1.120 1.00 15.00 C ATOM 30 O GLN A 2 0.646 6.015 0.091 1.00 15.00 O ATOM 31 CB GLN A 2 -0.961 6.845 -2.838 1.00 15.00 C ATOM 32 CG GLN A 2 -2.101 7.844 -2.622 1.00 15.00 C ATOM 33 CD GLN A 2 -1.671 9.224 -3.122 1.00 15.00 C ATOM 34 OE1 GLN A 2 -1.334 9.387 -4.277 1.00 15.00 O ATOM 35 NE2 GLN A 2 -1.670 10.231 -2.293 1.00 15.00 N ATOM 0 H GLN A 2 1.799 6.885 -3.327 1.00 15.00 H new ATOM 0 HA GLN A 2 -0.052 7.985 -1.215 1.00 15.00 H new ATOM 0 HB2 GLN A 2 -0.646 6.856 -3.882 1.00 15.00 H new ATOM 0 HB3 GLN A 2 -1.304 5.834 -2.619 1.00 15.00 H new ATOM 0 HG2 GLN A 2 -2.993 7.514 -3.154 1.00 15.00 H new ATOM 0 HG3 GLN A 2 -2.360 7.893 -1.564 1.00 15.00 H new ATOM 0 HE21 GLN A 2 -1.953 10.093 -1.323 1.00 15.00 H new ATOM 0 HE22 GLN A 2 -1.386 11.156 -2.615 1.00 15.00 H new ATOM 44 N ILE A 3 1.101 4.959 -1.784 1.00 15.00 N ATOM 45 CA ILE A 3 1.587 3.744 -1.088 1.00 15.00 C ATOM 46 C ILE A 3 0.790 3.420 0.191 1.00 15.00 C ATOM 47 O ILE A 3 1.338 3.007 1.193 1.00 15.00 O ATOM 48 CB ILE A 3 3.052 4.069 -0.812 1.00 15.00 C ATOM 49 CG1 ILE A 3 3.842 2.779 -0.919 1.00 15.00 C ATOM 50 CG2 ILE A 3 3.247 4.711 0.569 1.00 15.00 C ATOM 51 CD1 ILE A 3 3.324 1.785 0.120 1.00 15.00 C ATOM 0 H ILE A 3 1.137 4.907 -2.802 1.00 15.00 H new ATOM 0 HA ILE A 3 1.460 2.840 -1.683 1.00 15.00 H new ATOM 0 HB ILE A 3 3.404 4.797 -1.543 1.00 15.00 H new ATOM 0 HG12 ILE A 3 3.744 2.361 -1.921 1.00 15.00 H new ATOM 0 HG13 ILE A 3 4.902 2.973 -0.757 1.00 15.00 H new ATOM 0 HG21 ILE A 3 4.304 4.926 0.724 1.00 15.00 H new ATOM 0 HG22 ILE A 3 2.676 5.638 0.623 1.00 15.00 H new ATOM 0 HG23 ILE A 3 2.899 4.025 1.341 1.00 15.00 H new ATOM 0 HD11 ILE A 3 3.889 0.855 0.047 1.00 15.00 H new ATOM 0 HD12 ILE A 3 3.445 2.206 1.118 1.00 15.00 H new ATOM 0 HD13 ILE A 3 2.269 1.584 -0.064 1.00 15.00 H new ATOM 63 N LYS A 4 -0.499 3.577 0.157 1.00 15.00 N ATOM 64 CA LYS A 4 -1.312 3.246 1.352 1.00 15.00 C ATOM 65 C LYS A 4 -2.240 2.084 1.015 1.00 15.00 C ATOM 66 O LYS A 4 -2.359 1.136 1.765 1.00 15.00 O ATOM 67 CB LYS A 4 -2.077 4.520 1.664 1.00 15.00 C ATOM 68 CG LYS A 4 -1.082 5.579 2.115 1.00 15.00 C ATOM 69 CD LYS A 4 -1.515 6.153 3.466 1.00 15.00 C ATOM 70 CE LYS A 4 -0.279 6.430 4.324 1.00 15.00 C ATOM 71 NZ LYS A 4 0.051 7.860 4.070 1.00 15.00 N ATOM 0 H LYS A 4 -1.025 3.920 -0.647 1.00 15.00 H new ATOM 0 HA LYS A 4 -0.721 2.932 2.212 1.00 15.00 H new ATOM 0 HB2 LYS A 4 -2.621 4.861 0.783 1.00 15.00 H new ATOM 0 HB3 LYS A 4 -2.816 4.337 2.444 1.00 15.00 H new ATOM 0 HG2 LYS A 4 -0.086 5.144 2.196 1.00 15.00 H new ATOM 0 HG3 LYS A 4 -1.023 6.375 1.373 1.00 15.00 H new ATOM 0 HD2 LYS A 4 -2.081 7.073 3.318 1.00 15.00 H new ATOM 0 HD3 LYS A 4 -2.175 5.451 3.976 1.00 15.00 H new ATOM 0 HE2 LYS A 4 -0.483 6.253 5.380 1.00 15.00 H new ATOM 0 HE3 LYS A 4 0.549 5.778 4.046 1.00 15.00 H new ATOM 0 HZ1 LYS A 4 0.890 8.126 4.624 1.00 15.00 H new ATOM 0 HZ2 LYS A 4 0.247 7.997 3.058 1.00 15.00 H new ATOM 0 HZ3 LYS A 4 -0.753 8.457 4.350 1.00 15.00 H new ATOM 85 N ILE A 5 -2.849 2.124 -0.135 1.00 15.00 N ATOM 86 CA ILE A 5 -3.716 0.989 -0.555 1.00 15.00 C ATOM 87 C ILE A 5 -2.797 -0.161 -0.973 1.00 15.00 C ATOM 88 O ILE A 5 -3.205 -1.297 -1.113 1.00 15.00 O ATOM 89 CB ILE A 5 -4.520 1.509 -1.752 1.00 15.00 C ATOM 90 CG1 ILE A 5 -5.119 2.883 -1.433 1.00 15.00 C ATOM 91 CG2 ILE A 5 -5.650 0.529 -2.072 1.00 15.00 C ATOM 92 CD1 ILE A 5 -5.697 2.885 -0.016 1.00 15.00 C ATOM 0 H ILE A 5 -2.785 2.893 -0.802 1.00 15.00 H new ATOM 0 HA ILE A 5 -4.385 0.633 0.229 1.00 15.00 H new ATOM 0 HB ILE A 5 -3.854 1.601 -2.610 1.00 15.00 H new ATOM 0 HG12 ILE A 5 -4.353 3.653 -1.523 1.00 15.00 H new ATOM 0 HG13 ILE A 5 -5.900 3.125 -2.154 1.00 15.00 H new ATOM 0 HG21 ILE A 5 -6.222 0.899 -2.923 1.00 15.00 H new ATOM 0 HG22 ILE A 5 -5.228 -0.446 -2.314 1.00 15.00 H new ATOM 0 HG23 ILE A 5 -6.306 0.436 -1.207 1.00 15.00 H new ATOM 0 HD11 ILE A 5 -6.121 3.865 0.203 1.00 15.00 H new ATOM 0 HD12 ILE A 5 -6.477 2.127 0.060 1.00 15.00 H new ATOM 0 HD13 ILE A 5 -4.906 2.664 0.700 1.00 15.00 H new ATOM 104 N TRP A 6 -1.541 0.155 -1.150 1.00 15.00 N ATOM 105 CA TRP A 6 -0.526 -0.860 -1.536 1.00 15.00 C ATOM 106 C TRP A 6 0.049 -1.475 -0.285 1.00 15.00 C ATOM 107 O TRP A 6 -0.002 -2.667 -0.060 1.00 15.00 O ATOM 108 CB TRP A 6 0.563 -0.050 -2.237 1.00 15.00 C ATOM 109 CG TRP A 6 0.064 0.431 -3.538 1.00 15.00 C ATOM 110 CD1 TRP A 6 0.317 -0.171 -4.696 1.00 15.00 C ATOM 111 CD2 TRP A 6 -0.751 1.589 -3.837 1.00 15.00 C ATOM 112 NE1 TRP A 6 -0.296 0.529 -5.712 1.00 15.00 N ATOM 113 CE2 TRP A 6 -0.972 1.630 -5.230 1.00 15.00 C ATOM 114 CE3 TRP A 6 -1.317 2.595 -3.041 1.00 15.00 C ATOM 115 CZ2 TRP A 6 -1.729 2.634 -5.820 1.00 15.00 C ATOM 116 CZ3 TRP A 6 -2.084 3.614 -3.629 1.00 15.00 C ATOM 117 CH2 TRP A 6 -2.291 3.633 -5.019 1.00 15.00 C ATOM 0 H TRP A 6 -1.171 1.099 -1.039 1.00 15.00 H new ATOM 0 HA TRP A 6 -0.933 -1.656 -2.159 1.00 15.00 H new ATOM 0 HB2 TRP A 6 0.859 0.795 -1.615 1.00 15.00 H new ATOM 0 HB3 TRP A 6 1.451 -0.665 -2.382 1.00 15.00 H new ATOM 0 HD1 TRP A 6 0.909 -1.066 -4.820 1.00 15.00 H new ATOM 0 HE1 TRP A 6 -0.255 0.266 -6.697 1.00 15.00 H new ATOM 0 HE3 TRP A 6 -1.163 2.586 -1.972 1.00 15.00 H new ATOM 0 HZ2 TRP A 6 -1.882 2.643 -6.889 1.00 15.00 H new ATOM 0 HZ3 TRP A 6 -2.517 4.386 -3.010 1.00 15.00 H new ATOM 0 HH2 TRP A 6 -2.883 4.417 -5.467 1.00 15.00 H new ATOM 128 N PHE A 7 0.579 -0.631 0.539 1.00 15.00 N ATOM 129 CA PHE A 7 1.163 -1.090 1.832 1.00 15.00 C ATOM 130 C PHE A 7 0.145 -1.960 2.571 1.00 15.00 C ATOM 131 O PHE A 7 0.477 -2.711 3.467 1.00 15.00 O ATOM 132 CB PHE A 7 1.421 0.200 2.616 1.00 15.00 C ATOM 133 CG PHE A 7 1.954 -0.139 3.988 1.00 15.00 C ATOM 134 CD1 PHE A 7 3.102 -0.928 4.115 1.00 15.00 C ATOM 135 CD2 PHE A 7 1.298 0.335 5.130 1.00 15.00 C ATOM 136 CE1 PHE A 7 3.596 -1.243 5.387 1.00 15.00 C ATOM 137 CE2 PHE A 7 1.792 0.020 6.402 1.00 15.00 C ATOM 138 CZ PHE A 7 2.942 -0.769 6.529 1.00 15.00 C ATOM 0 H PHE A 7 0.637 0.374 0.376 1.00 15.00 H new ATOM 0 HA PHE A 7 2.069 -1.682 1.702 1.00 15.00 H new ATOM 0 HB2 PHE A 7 2.136 0.826 2.081 1.00 15.00 H new ATOM 0 HB3 PHE A 7 0.499 0.774 2.705 1.00 15.00 H new ATOM 0 HD1 PHE A 7 3.607 -1.294 3.233 1.00 15.00 H new ATOM 0 HD2 PHE A 7 0.411 0.943 5.030 1.00 15.00 H new ATOM 0 HE1 PHE A 7 4.482 -1.852 5.486 1.00 15.00 H new ATOM 0 HE2 PHE A 7 1.287 0.385 7.284 1.00 15.00 H new ATOM 0 HZ PHE A 7 3.324 -1.012 7.510 1.00 15.00 H new ATOM 148 N ARG A 8 -1.101 -1.836 2.206 1.00 15.00 N ATOM 149 CA ARG A 8 -2.170 -2.605 2.869 1.00 15.00 C ATOM 150 C ARG A 8 -2.540 -3.860 2.068 1.00 15.00 C ATOM 151 O ARG A 8 -3.435 -4.595 2.438 1.00 15.00 O ATOM 152 CB ARG A 8 -3.314 -1.613 2.880 1.00 15.00 C ATOM 153 CG ARG A 8 -4.215 -1.889 4.070 1.00 15.00 C ATOM 154 CD ARG A 8 -3.425 -1.557 5.334 1.00 15.00 C ATOM 155 NE ARG A 8 -4.226 -0.516 6.038 1.00 15.00 N ATOM 156 CZ ARG A 8 -3.782 0.008 7.148 1.00 15.00 C ATOM 157 NH1 ARG A 8 -2.526 0.345 7.254 1.00 15.00 N ATOM 158 NH2 ARG A 8 -4.594 0.194 8.152 1.00 15.00 N ATOM 0 H ARG A 8 -1.421 -1.219 1.460 1.00 15.00 H new ATOM 0 HA ARG A 8 -1.892 -2.972 3.857 1.00 15.00 H new ATOM 0 HB2 ARG A 8 -2.926 -0.596 2.933 1.00 15.00 H new ATOM 0 HB3 ARG A 8 -3.884 -1.689 1.954 1.00 15.00 H new ATOM 0 HG2 ARG A 8 -5.120 -1.284 4.014 1.00 15.00 H new ATOM 0 HG3 ARG A 8 -4.530 -2.933 4.078 1.00 15.00 H new ATOM 0 HD2 ARG A 8 -3.293 -2.441 5.959 1.00 15.00 H new ATOM 0 HD3 ARG A 8 -2.429 -1.188 5.089 1.00 15.00 H new ATOM 0 HE ARG A 8 -5.121 -0.213 5.653 1.00 15.00 H new ATOM 0 HH11 ARG A 8 -1.891 0.199 6.469 1.00 15.00 H new ATOM 0 HH12 ARG A 8 -2.179 0.754 8.121 1.00 15.00 H new ATOM 0 HH21 ARG A 8 -5.576 -0.070 8.070 1.00 15.00 H new ATOM 0 HH22 ARG A 8 -4.247 0.603 9.019 1.00 15.00 H new ATOM 172 N LYS A 9 -1.869 -4.109 0.974 1.00 15.00 N ATOM 173 CA LYS A 9 -2.199 -5.312 0.159 1.00 15.00 C ATOM 174 C LYS A 9 -1.067 -6.342 0.245 1.00 15.00 C ATOM 175 O LYS A 9 -1.165 -7.326 0.953 1.00 15.00 O ATOM 176 CB LYS A 9 -2.345 -4.788 -1.271 1.00 15.00 C ATOM 177 CG LYS A 9 -3.754 -4.231 -1.471 1.00 15.00 C ATOM 178 CD LYS A 9 -4.756 -5.384 -1.556 1.00 15.00 C ATOM 179 CE LYS A 9 -6.174 -4.821 -1.669 1.00 15.00 C ATOM 180 NZ LYS A 9 -6.898 -5.778 -2.553 1.00 15.00 N ATOM 0 H LYS A 9 -1.109 -3.533 0.612 1.00 15.00 H new ATOM 0 HA LYS A 9 -3.103 -5.812 0.506 1.00 15.00 H new ATOM 0 HB2 LYS A 9 -1.605 -4.011 -1.462 1.00 15.00 H new ATOM 0 HB3 LYS A 9 -2.155 -5.590 -1.984 1.00 15.00 H new ATOM 0 HG2 LYS A 9 -4.015 -3.570 -0.645 1.00 15.00 H new ATOM 0 HG3 LYS A 9 -3.794 -3.634 -2.382 1.00 15.00 H new ATOM 0 HD2 LYS A 9 -4.533 -6.011 -2.419 1.00 15.00 H new ATOM 0 HD3 LYS A 9 -4.674 -6.017 -0.672 1.00 15.00 H new ATOM 0 HE2 LYS A 9 -6.650 -4.750 -0.691 1.00 15.00 H new ATOM 0 HE3 LYS A 9 -6.168 -3.818 -2.095 1.00 15.00 H new ATOM 0 HZ1 LYS A 9 -7.880 -5.460 -2.679 1.00 15.00 H new ATOM 0 HZ2 LYS A 9 -6.426 -5.820 -3.479 1.00 15.00 H new ATOM 0 HZ3 LYS A 9 -6.893 -6.723 -2.119 1.00 15.00 H new ATOM 194 N TRP A 10 0.000 -6.127 -0.475 1.00 15.00 N ATOM 195 CA TRP A 10 1.133 -7.087 -0.448 1.00 15.00 C ATOM 196 C TRP A 10 2.106 -6.713 0.686 1.00 15.00 C ATOM 197 O TRP A 10 1.775 -6.820 1.851 1.00 15.00 O ATOM 198 CB TRP A 10 1.782 -6.936 -1.831 1.00 15.00 C ATOM 199 CG TRP A 10 0.731 -6.860 -2.894 1.00 15.00 C ATOM 200 CD1 TRP A 10 0.801 -6.072 -3.984 1.00 15.00 C ATOM 201 CD2 TRP A 10 -0.539 -7.566 -2.983 1.00 15.00 C ATOM 202 NE1 TRP A 10 -0.339 -6.261 -4.741 1.00 15.00 N ATOM 203 CE2 TRP A 10 -1.194 -7.170 -4.166 1.00 15.00 C ATOM 204 CE3 TRP A 10 -1.171 -8.501 -2.164 1.00 15.00 C ATOM 205 CZ2 TRP A 10 -2.439 -7.687 -4.524 1.00 15.00 C ATOM 206 CZ3 TRP A 10 -2.425 -9.029 -2.512 1.00 15.00 C ATOM 207 CH2 TRP A 10 -3.059 -8.622 -3.693 1.00 15.00 C ATOM 0 H TRP A 10 0.134 -5.320 -1.085 1.00 15.00 H new ATOM 0 HA TRP A 10 0.829 -8.116 -0.257 1.00 15.00 H new ATOM 0 HB2 TRP A 10 2.398 -6.037 -1.855 1.00 15.00 H new ATOM 0 HB3 TRP A 10 2.443 -7.781 -2.024 1.00 15.00 H new ATOM 0 HD1 TRP A 10 1.614 -5.403 -4.226 1.00 15.00 H new ATOM 0 HE1 TRP A 10 -0.524 -5.782 -5.623 1.00 15.00 H new ATOM 0 HE3 TRP A 10 -0.691 -8.823 -1.252 1.00 15.00 H new ATOM 0 HZ2 TRP A 10 -2.919 -7.367 -5.437 1.00 15.00 H new ATOM 0 HZ3 TRP A 10 -2.902 -9.752 -1.867 1.00 15.00 H new ATOM 0 HH2 TRP A 10 -4.023 -9.030 -3.959 1.00 15.00 H new ATOM 218 N LYS A 11 3.292 -6.264 0.360 1.00 15.00 N ATOM 219 CA LYS A 11 4.270 -5.873 1.410 1.00 15.00 C ATOM 220 C LYS A 11 5.395 -5.084 0.749 1.00 15.00 C ATOM 221 O LYS A 11 6.536 -5.140 1.159 1.00 15.00 O ATOM 222 CB LYS A 11 4.784 -7.180 2.027 1.00 15.00 C ATOM 223 CG LYS A 11 5.633 -7.950 1.014 1.00 15.00 C ATOM 224 CD LYS A 11 4.713 -8.708 0.058 1.00 15.00 C ATOM 225 CE LYS A 11 5.090 -8.377 -1.388 1.00 15.00 C ATOM 226 NZ LYS A 11 5.095 -9.689 -2.095 1.00 15.00 N ATOM 0 H LYS A 11 3.623 -6.152 -0.598 1.00 15.00 H new ATOM 0 HA LYS A 11 3.833 -5.244 2.186 1.00 15.00 H new ATOM 0 HB2 LYS A 11 5.376 -6.962 2.916 1.00 15.00 H new ATOM 0 HB3 LYS A 11 3.942 -7.794 2.347 1.00 15.00 H new ATOM 0 HG2 LYS A 11 6.268 -7.262 0.457 1.00 15.00 H new ATOM 0 HG3 LYS A 11 6.294 -8.646 1.530 1.00 15.00 H new ATOM 0 HD2 LYS A 11 4.798 -9.781 0.230 1.00 15.00 H new ATOM 0 HD3 LYS A 11 3.674 -8.436 0.245 1.00 15.00 H new ATOM 0 HE2 LYS A 11 4.372 -7.690 -1.836 1.00 15.00 H new ATOM 0 HE3 LYS A 11 6.067 -7.896 -1.441 1.00 15.00 H new ATOM 0 HZ1 LYS A 11 5.345 -9.544 -3.094 1.00 15.00 H new ATOM 0 HZ2 LYS A 11 5.793 -10.320 -1.651 1.00 15.00 H new ATOM 0 HZ3 LYS A 11 4.150 -10.120 -2.034 1.00 15.00 H new ATOM 240 N LYS A 12 5.051 -4.369 -0.299 1.00 15.00 N ATOM 241 CA LYS A 12 6.035 -3.558 -1.083 1.00 15.00 C ATOM 242 C LYS A 12 7.492 -3.849 -0.687 1.00 15.00 C ATOM 243 O LYS A 12 7.917 -4.979 -0.866 1.00 15.00 O ATOM 244 CB LYS A 12 5.679 -2.079 -0.834 1.00 15.00 C ATOM 245 CG LYS A 12 4.941 -1.902 0.501 1.00 15.00 C ATOM 246 CD LYS A 12 5.877 -2.261 1.653 1.00 15.00 C ATOM 247 CE LYS A 12 6.619 -1.006 2.120 1.00 15.00 C ATOM 248 NZ LYS A 12 7.097 -1.332 3.493 1.00 15.00 N ATOM 249 OXT LYS A 12 8.156 -2.938 -0.218 1.00 15.00 O ATOM 0 H LYS A 12 4.096 -4.314 -0.652 1.00 15.00 H new ATOM 0 HA LYS A 12 5.969 -3.814 -2.140 1.00 15.00 H new ATOM 0 HB2 LYS A 12 6.589 -1.479 -0.832 1.00 15.00 H new ATOM 0 HB3 LYS A 12 5.056 -1.710 -1.649 1.00 15.00 H new ATOM 0 HG2 LYS A 12 4.598 -0.873 0.605 1.00 15.00 H new ATOM 0 HG3 LYS A 12 4.056 -2.538 0.526 1.00 15.00 H new ATOM 0 HD2 LYS A 12 5.307 -2.688 2.479 1.00 15.00 H new ATOM 0 HD3 LYS A 12 6.591 -3.020 1.332 1.00 15.00 H new ATOM 0 HE2 LYS A 12 7.452 -0.770 1.457 1.00 15.00 H new ATOM 0 HE3 LYS A 12 5.961 -0.137 2.127 1.00 15.00 H new ATOM 0 HZ1 LYS A 12 7.616 -0.519 3.882 1.00 15.00 H new ATOM 0 HZ2 LYS A 12 6.282 -1.546 4.103 1.00 15.00 H new ATOM 0 HZ3 LYS A 12 7.727 -2.159 3.454 1.00 15.00 H new TER 263 LYS A 12