USER MOD reduce.3.24.130724 H: found=0, std=0, add=143, rem=0, adj=2 USER MOD reduce.3.24.130724 removed 145 hydrogens (2 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 ILE N :NH3+ 155:sc= -2.56! (180deg=-4.27!) USER MOD Single : A 3 LYS NZ :NH3+ -120:sc= -0.0188 (180deg=-1.95!) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ILE A 1 -8.689 -6.980 -0.093 1.00 0.00 N ATOM 2 CA ILE A 1 -9.875 -6.098 0.099 1.00 0.00 C ATOM 3 C ILE A 1 -9.490 -4.859 0.911 1.00 0.00 C ATOM 4 O ILE A 1 -8.479 -4.838 1.587 1.00 0.00 O ATOM 5 CB ILE A 1 -10.887 -6.950 0.867 1.00 0.00 C ATOM 6 CG1 ILE A 1 -11.979 -6.048 1.447 1.00 0.00 C ATOM 7 CG2 ILE A 1 -10.177 -7.687 2.005 1.00 0.00 C ATOM 8 CD1 ILE A 1 -12.813 -5.460 0.308 1.00 0.00 C ATOM 0 H1 ILE A 1 -9.005 -7.959 -0.248 1.00 0.00 H new ATOM 0 H2 ILE A 1 -8.146 -6.657 -0.919 1.00 0.00 H new ATOM 0 H3 ILE A 1 -8.086 -6.941 0.754 1.00 0.00 H new ATOM 0 HA ILE A 1 -10.279 -5.742 -0.849 1.00 0.00 H new ATOM 0 HB ILE A 1 -11.337 -7.676 0.190 1.00 0.00 H new ATOM 0 HG12 ILE A 1 -12.617 -6.619 2.122 1.00 0.00 H new ATOM 0 HG13 ILE A 1 -11.530 -5.247 2.034 1.00 0.00 H new ATOM 0 HG21 ILE A 1 -10.899 -8.294 2.552 1.00 0.00 H new ATOM 0 HG22 ILE A 1 -9.400 -8.331 1.593 1.00 0.00 H new ATOM 0 HG23 ILE A 1 -9.726 -6.962 2.682 1.00 0.00 H new ATOM 0 HD11 ILE A 1 -13.591 -4.818 0.721 1.00 0.00 H new ATOM 0 HD12 ILE A 1 -12.170 -4.875 -0.349 1.00 0.00 H new ATOM 0 HD13 ILE A 1 -13.274 -6.268 -0.260 1.00 0.00 H new ATOM 22 N LEU A 2 -10.285 -3.828 0.849 1.00 0.00 N ATOM 23 CA LEU A 2 -9.966 -2.589 1.617 1.00 0.00 C ATOM 24 C LEU A 2 -8.705 -1.933 1.057 1.00 0.00 C ATOM 25 O LEU A 2 -7.597 -2.334 1.349 1.00 0.00 O ATOM 26 CB LEU A 2 -9.737 -3.058 3.055 1.00 0.00 C ATOM 27 CG LEU A 2 -10.585 -2.212 4.007 1.00 0.00 C ATOM 28 CD1 LEU A 2 -11.499 -3.126 4.824 1.00 0.00 C ATOM 29 CD2 LEU A 2 -9.667 -1.434 4.950 1.00 0.00 C ATOM 0 H LEU A 2 -11.143 -3.788 0.299 1.00 0.00 H new ATOM 0 HA LEU A 2 -10.763 -1.848 1.555 1.00 0.00 H new ATOM 0 HB2 LEU A 2 -10.002 -4.111 3.152 1.00 0.00 H new ATOM 0 HB3 LEU A 2 -8.682 -2.970 3.314 1.00 0.00 H new ATOM 0 HG LEU A 2 -11.192 -1.513 3.431 1.00 0.00 H new ATOM 0 HD11 LEU A 2 -12.103 -2.524 5.502 1.00 0.00 H new ATOM 0 HD12 LEU A 2 -12.153 -3.682 4.152 1.00 0.00 H new ATOM 0 HD13 LEU A 2 -10.893 -3.825 5.401 1.00 0.00 H new ATOM 0 HD21 LEU A 2 -10.270 -0.831 5.629 1.00 0.00 H new ATOM 0 HD22 LEU A 2 -9.061 -2.133 5.526 1.00 0.00 H new ATOM 0 HD23 LEU A 2 -9.015 -0.783 4.368 1.00 0.00 H new ATOM 41 N LYS A 3 -8.872 -0.923 0.250 1.00 0.00 N ATOM 42 CA LYS A 3 -7.689 -0.231 -0.337 1.00 0.00 C ATOM 43 C LYS A 3 -6.882 -1.203 -1.197 1.00 0.00 C ATOM 44 O LYS A 3 -5.718 -1.446 -0.946 1.00 0.00 O ATOM 45 CB LYS A 3 -6.864 0.238 0.862 1.00 0.00 C ATOM 46 CG LYS A 3 -7.780 0.931 1.873 1.00 0.00 C ATOM 47 CD LYS A 3 -6.976 1.963 2.667 1.00 0.00 C ATOM 48 CE LYS A 3 -6.025 1.242 3.625 1.00 0.00 C ATOM 49 NZ LYS A 3 -6.877 0.830 4.774 1.00 0.00 N ATOM 0 H LYS A 3 -9.778 -0.546 -0.029 1.00 0.00 H new ATOM 0 HA LYS A 3 -7.976 0.600 -0.981 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -6.366 -0.612 1.329 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -6.083 0.924 0.534 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -8.607 1.418 1.356 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -8.216 0.195 2.549 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -6.410 2.600 1.987 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -7.649 2.612 3.226 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -5.562 0.379 3.147 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -5.217 1.899 3.948 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -6.518 1.268 5.647 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -7.856 1.139 4.609 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -6.853 -0.205 4.871 1.00 0.00 H new ATOM 63 N LYS A 4 -7.501 -1.747 -2.216 1.00 0.00 N ATOM 64 CA LYS A 4 -6.814 -2.701 -3.127 1.00 0.00 C ATOM 65 C LYS A 4 -5.717 -3.476 -2.401 1.00 0.00 C ATOM 66 O LYS A 4 -4.556 -3.455 -2.756 1.00 0.00 O ATOM 67 CB LYS A 4 -6.278 -1.818 -4.241 1.00 0.00 C ATOM 68 CG LYS A 4 -4.918 -1.224 -3.860 1.00 0.00 C ATOM 69 CD LYS A 4 -4.905 0.271 -4.182 1.00 0.00 C ATOM 70 CE LYS A 4 -3.560 0.871 -3.767 1.00 0.00 C ATOM 71 NZ LYS A 4 -3.181 1.778 -4.885 1.00 0.00 N ATOM 0 H LYS A 4 -8.475 -1.562 -2.456 1.00 0.00 H new ATOM 0 HA LYS A 4 -7.475 -3.477 -3.512 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -6.181 -2.400 -5.158 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -6.986 -1.015 -4.447 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -4.726 -1.380 -2.798 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -4.122 -1.731 -4.406 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -5.071 0.426 -5.248 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -5.717 0.774 -3.657 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -3.645 1.417 -2.827 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -2.810 0.094 -3.618 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -2.267 2.227 -4.673 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -3.101 1.230 -5.765 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -3.909 2.512 -4.999 1.00 0.00 H new ATOM 85 N TRP A 5 -6.109 -4.169 -1.386 1.00 0.00 N ATOM 86 CA TRP A 5 -5.135 -4.976 -0.597 1.00 0.00 C ATOM 87 C TRP A 5 -3.923 -4.121 -0.216 1.00 0.00 C ATOM 88 O TRP A 5 -3.051 -3.882 -1.028 1.00 0.00 O ATOM 89 CB TRP A 5 -4.716 -6.114 -1.528 1.00 0.00 C ATOM 90 CG TRP A 5 -5.650 -7.266 -1.353 1.00 0.00 C ATOM 91 CD1 TRP A 5 -6.520 -7.712 -2.290 1.00 0.00 C ATOM 92 CD2 TRP A 5 -5.825 -8.126 -0.191 1.00 0.00 C ATOM 93 NE1 TRP A 5 -7.217 -8.790 -1.776 1.00 0.00 N ATOM 94 CE2 TRP A 5 -6.825 -9.084 -0.484 1.00 0.00 C ATOM 95 CE3 TRP A 5 -5.219 -8.166 1.076 1.00 0.00 C ATOM 96 CZ2 TRP A 5 -7.209 -10.048 0.448 1.00 0.00 C ATOM 97 CZ3 TRP A 5 -5.603 -9.135 2.017 1.00 0.00 C ATOM 98 CH2 TRP A 5 -6.597 -10.074 1.704 1.00 0.00 C ATOM 0 H TRP A 5 -7.073 -4.218 -1.057 1.00 0.00 H new ATOM 0 HA TRP A 5 -5.566 -5.347 0.333 1.00 0.00 H new ATOM 0 HB2 TRP A 5 -4.729 -5.775 -2.564 1.00 0.00 H new ATOM 0 HB3 TRP A 5 -3.694 -6.423 -1.306 1.00 0.00 H new ATOM 0 HD1 TRP A 5 -6.648 -7.294 -3.278 1.00 0.00 H new ATOM 0 HE1 TRP A 5 -7.933 -9.305 -2.288 1.00 0.00 H new ATOM 0 HE3 TRP A 5 -4.453 -7.447 1.328 1.00 0.00 H new ATOM 0 HZ2 TRP A 5 -7.974 -10.769 0.201 1.00 0.00 H new ATOM 0 HZ3 TRP A 5 -5.130 -9.157 2.988 1.00 0.00 H new ATOM 0 HH2 TRP A 5 -6.889 -10.816 2.433 1.00 0.00 H new ATOM 109 N PRO A 6 -3.911 -3.688 1.015 1.00 0.00 N ATOM 110 CA PRO A 6 -2.796 -2.848 1.517 1.00 0.00 C ATOM 111 C PRO A 6 -1.530 -3.687 1.694 1.00 0.00 C ATOM 112 O PRO A 6 -1.215 -4.136 2.780 1.00 0.00 O ATOM 113 CB PRO A 6 -3.307 -2.339 2.859 1.00 0.00 C ATOM 114 CG PRO A 6 -4.322 -3.348 3.296 1.00 0.00 C ATOM 115 CD PRO A 6 -4.923 -3.937 2.045 1.00 0.00 C ATOM 0 HA PRO A 6 -2.528 -2.040 0.836 1.00 0.00 H new ATOM 0 HB2 PRO A 6 -2.497 -2.255 3.583 1.00 0.00 H new ATOM 0 HB3 PRO A 6 -3.752 -1.349 2.762 1.00 0.00 H new ATOM 0 HG2 PRO A 6 -3.857 -4.125 3.903 1.00 0.00 H new ATOM 0 HG3 PRO A 6 -5.091 -2.880 3.910 1.00 0.00 H new ATOM 0 HD2 PRO A 6 -5.121 -5.003 2.161 1.00 0.00 H new ATOM 0 HD3 PRO A 6 -5.872 -3.462 1.796 1.00 0.00 H new ATOM 123 N TRP A 7 -0.802 -3.899 0.636 1.00 0.00 N ATOM 124 CA TRP A 7 0.448 -4.707 0.737 1.00 0.00 C ATOM 125 C TRP A 7 1.582 -4.019 -0.020 1.00 0.00 C ATOM 126 O TRP A 7 2.146 -4.563 -0.949 1.00 0.00 O ATOM 127 CB TRP A 7 0.110 -6.039 0.082 1.00 0.00 C ATOM 128 CG TRP A 7 -0.035 -7.089 1.134 1.00 0.00 C ATOM 129 CD1 TRP A 7 -1.210 -7.514 1.650 1.00 0.00 C ATOM 130 CD2 TRP A 7 1.008 -7.851 1.808 1.00 0.00 C ATOM 131 NE1 TRP A 7 -0.957 -8.490 2.597 1.00 0.00 N ATOM 132 CE2 TRP A 7 0.396 -8.733 2.731 1.00 0.00 C ATOM 133 CE3 TRP A 7 2.411 -7.863 1.710 1.00 0.00 C ATOM 134 CZ2 TRP A 7 1.150 -9.594 3.527 1.00 0.00 C ATOM 135 CZ3 TRP A 7 3.172 -8.730 2.511 1.00 0.00 C ATOM 136 CH2 TRP A 7 2.544 -9.594 3.417 1.00 0.00 C ATOM 0 H TRP A 7 -1.017 -3.548 -0.297 1.00 0.00 H new ATOM 0 HA TRP A 7 0.778 -4.829 1.769 1.00 0.00 H new ATOM 0 HB2 TRP A 7 -0.814 -5.951 -0.489 1.00 0.00 H new ATOM 0 HB3 TRP A 7 0.894 -6.320 -0.621 1.00 0.00 H new ATOM 0 HD1 TRP A 7 -2.187 -7.151 1.369 1.00 0.00 H new ATOM 0 HE1 TRP A 7 -1.681 -8.971 3.131 1.00 0.00 H new ATOM 0 HE3 TRP A 7 2.906 -7.201 1.015 1.00 0.00 H new ATOM 0 HZ2 TRP A 7 0.660 -10.257 4.225 1.00 0.00 H new ATOM 0 HZ3 TRP A 7 4.249 -8.731 2.428 1.00 0.00 H new ATOM 0 HH2 TRP A 7 3.135 -10.259 4.029 1.00 0.00 H new ATOM 147 N TRP A 8 1.919 -2.828 0.373 1.00 0.00 N ATOM 148 CA TRP A 8 3.015 -2.097 -0.315 1.00 0.00 C ATOM 149 C TRP A 8 4.062 -1.629 0.698 1.00 0.00 C ATOM 150 O TRP A 8 3.813 -0.735 1.483 1.00 0.00 O ATOM 151 CB TRP A 8 2.339 -0.897 -0.978 1.00 0.00 C ATOM 152 CG TRP A 8 3.169 -0.439 -2.133 1.00 0.00 C ATOM 153 CD1 TRP A 8 3.910 0.693 -2.159 1.00 0.00 C ATOM 154 CD2 TRP A 8 3.360 -1.083 -3.427 1.00 0.00 C ATOM 155 NE1 TRP A 8 4.537 0.789 -3.389 1.00 0.00 N ATOM 156 CE2 TRP A 8 4.230 -0.282 -4.203 1.00 0.00 C ATOM 157 CE3 TRP A 8 2.864 -2.270 -3.995 1.00 0.00 C ATOM 158 CZ2 TRP A 8 4.597 -0.647 -5.501 1.00 0.00 C ATOM 159 CZ3 TRP A 8 3.232 -2.640 -5.299 1.00 0.00 C ATOM 160 CH2 TRP A 8 4.096 -1.831 -6.050 1.00 0.00 C ATOM 0 H TRP A 8 1.481 -2.325 1.145 1.00 0.00 H new ATOM 0 HA TRP A 8 3.534 -2.725 -1.039 1.00 0.00 H new ATOM 0 HB2 TRP A 8 1.340 -1.170 -1.319 1.00 0.00 H new ATOM 0 HB3 TRP A 8 2.220 -0.088 -0.257 1.00 0.00 H new ATOM 0 HD1 TRP A 8 3.998 1.405 -1.352 1.00 0.00 H new ATOM 0 HE1 TRP A 8 5.151 1.557 -3.660 1.00 0.00 H new ATOM 0 HE3 TRP A 8 2.197 -2.900 -3.426 1.00 0.00 H new ATOM 0 HZ2 TRP A 8 5.262 -0.019 -6.075 1.00 0.00 H new ATOM 0 HZ3 TRP A 8 2.847 -3.554 -5.726 1.00 0.00 H new ATOM 0 HH2 TRP A 8 4.374 -2.122 -7.052 1.00 0.00 H new ATOM 171 N PRO A 9 5.207 -2.252 0.641 1.00 0.00 N ATOM 172 CA PRO A 9 6.314 -1.906 1.555 1.00 0.00 C ATOM 173 C PRO A 9 7.149 -0.765 0.974 1.00 0.00 C ATOM 174 O PRO A 9 8.334 -0.656 1.220 1.00 0.00 O ATOM 175 CB PRO A 9 7.122 -3.194 1.623 1.00 0.00 C ATOM 176 CG PRO A 9 6.826 -3.930 0.346 1.00 0.00 C ATOM 177 CD PRO A 9 5.576 -3.337 -0.266 1.00 0.00 C ATOM 0 HA PRO A 9 5.978 -1.563 2.534 1.00 0.00 H new ATOM 0 HB2 PRO A 9 8.187 -2.983 1.715 1.00 0.00 H new ATOM 0 HB3 PRO A 9 6.839 -3.788 2.492 1.00 0.00 H new ATOM 0 HG2 PRO A 9 7.665 -3.844 -0.345 1.00 0.00 H new ATOM 0 HG3 PRO A 9 6.684 -4.992 0.544 1.00 0.00 H new ATOM 0 HD2 PRO A 9 5.764 -2.966 -1.273 1.00 0.00 H new ATOM 0 HD3 PRO A 9 4.781 -4.079 -0.343 1.00 0.00 H new ATOM 185 N TRP A 10 6.535 0.081 0.203 1.00 0.00 N ATOM 186 CA TRP A 10 7.273 1.219 -0.408 1.00 0.00 C ATOM 187 C TRP A 10 6.911 2.526 0.298 1.00 0.00 C ATOM 188 O TRP A 10 7.765 3.318 0.642 1.00 0.00 O ATOM 189 CB TRP A 10 6.802 1.246 -1.858 1.00 0.00 C ATOM 190 CG TRP A 10 7.982 1.304 -2.765 1.00 0.00 C ATOM 191 CD1 TRP A 10 8.825 2.355 -2.897 1.00 0.00 C ATOM 192 CD2 TRP A 10 8.459 0.281 -3.671 1.00 0.00 C ATOM 193 NE1 TRP A 10 9.792 2.033 -3.832 1.00 0.00 N ATOM 194 CE2 TRP A 10 9.607 0.760 -4.340 1.00 0.00 C ATOM 195 CE3 TRP A 10 8.001 -1.008 -3.969 1.00 0.00 C ATOM 196 CZ2 TRP A 10 10.282 -0.020 -5.278 1.00 0.00 C ATOM 197 CZ3 TRP A 10 8.675 -1.800 -4.913 1.00 0.00 C ATOM 198 CH2 TRP A 10 9.815 -1.307 -5.566 1.00 0.00 C ATOM 0 H TRP A 10 5.544 0.034 -0.034 1.00 0.00 H new ATOM 0 HA TRP A 10 8.354 1.107 -0.327 1.00 0.00 H new ATOM 0 HB2 TRP A 10 6.207 0.358 -2.074 1.00 0.00 H new ATOM 0 HB3 TRP A 10 6.159 2.110 -2.026 1.00 0.00 H new ATOM 0 HD1 TRP A 10 8.754 3.290 -2.361 1.00 0.00 H new ATOM 0 HE1 TRP A 10 10.548 2.657 -4.112 1.00 0.00 H new ATOM 0 HE3 TRP A 10 7.125 -1.395 -3.470 1.00 0.00 H new ATOM 0 HZ2 TRP A 10 11.158 0.366 -5.778 1.00 0.00 H new ATOM 0 HZ3 TRP A 10 8.314 -2.793 -5.137 1.00 0.00 H new ATOM 0 HH2 TRP A 10 10.331 -1.920 -6.290 1.00 0.00 H new ATOM 209 N ARG A 11 5.648 2.753 0.512 1.00 0.00 N ATOM 210 CA ARG A 11 5.217 4.005 1.193 1.00 0.00 C ATOM 211 C ARG A 11 4.496 3.667 2.494 1.00 0.00 C ATOM 212 O ARG A 11 3.340 3.991 2.685 1.00 0.00 O ATOM 213 CB ARG A 11 4.267 4.686 0.208 1.00 0.00 C ATOM 214 CG ARG A 11 5.015 5.786 -0.548 1.00 0.00 C ATOM 215 CD ARG A 11 4.875 7.110 0.205 1.00 0.00 C ATOM 216 NE ARG A 11 6.238 7.398 0.733 1.00 0.00 N ATOM 217 CZ ARG A 11 6.638 8.632 0.868 1.00 0.00 C ATOM 218 NH1 ARG A 11 5.809 9.544 1.295 1.00 0.00 N ATOM 219 NH2 ARG A 11 7.868 8.954 0.574 1.00 0.00 N ATOM 0 H ARG A 11 4.891 2.124 0.244 1.00 0.00 H new ATOM 0 HA ARG A 11 6.057 4.649 1.453 1.00 0.00 H new ATOM 0 HB2 ARG A 11 3.869 3.954 -0.495 1.00 0.00 H new ATOM 0 HB3 ARG A 11 3.417 5.111 0.742 1.00 0.00 H new ATOM 0 HG2 ARG A 11 6.068 5.522 -0.648 1.00 0.00 H new ATOM 0 HG3 ARG A 11 4.614 5.885 -1.557 1.00 0.00 H new ATOM 0 HD2 ARG A 11 4.531 7.906 -0.456 1.00 0.00 H new ATOM 0 HD3 ARG A 11 4.147 7.030 1.013 1.00 0.00 H new ATOM 0 HE ARG A 11 6.858 6.630 0.989 1.00 0.00 H new ATOM 0 HH11 ARG A 11 4.847 9.292 1.524 1.00 0.00 H new ATOM 0 HH12 ARG A 11 6.122 10.509 1.400 1.00 0.00 H new ATOM 0 HH21 ARG A 11 8.516 8.241 0.239 1.00 0.00 H new ATOM 0 HH22 ARG A 11 8.182 9.919 0.679 1.00 0.00 H new ATOM 233 N ARG A 12 5.177 3.016 3.389 1.00 0.00 N ATOM 234 CA ARG A 12 4.549 2.646 4.689 1.00 0.00 C ATOM 235 C ARG A 12 4.335 3.894 5.549 1.00 0.00 C ATOM 236 O ARG A 12 5.233 4.353 6.228 1.00 0.00 O ATOM 237 CB ARG A 12 5.550 1.700 5.355 1.00 0.00 C ATOM 238 CG ARG A 12 4.813 0.472 5.892 1.00 0.00 C ATOM 239 CD ARG A 12 5.800 -0.687 6.049 1.00 0.00 C ATOM 240 NE ARG A 12 6.843 -0.179 6.981 1.00 0.00 N ATOM 241 CZ ARG A 12 7.235 -0.914 7.985 1.00 0.00 C ATOM 242 NH1 ARG A 12 7.378 -2.203 7.834 1.00 0.00 N ATOM 243 NH2 ARG A 12 7.484 -0.363 9.140 1.00 0.00 N ATOM 0 H ARG A 12 6.147 2.721 3.278 1.00 0.00 H new ATOM 0 HA ARG A 12 3.572 2.181 4.559 1.00 0.00 H new ATOM 0 HB2 ARG A 12 6.311 1.395 4.637 1.00 0.00 H new ATOM 0 HB3 ARG A 12 6.065 2.212 6.168 1.00 0.00 H new ATOM 0 HG2 ARG A 12 4.351 0.703 6.852 1.00 0.00 H new ATOM 0 HG3 ARG A 12 4.010 0.190 5.211 1.00 0.00 H new ATOM 0 HD2 ARG A 12 5.308 -1.573 6.451 1.00 0.00 H new ATOM 0 HD3 ARG A 12 6.232 -0.971 5.089 1.00 0.00 H new ATOM 0 HE ARG A 12 7.252 0.744 6.835 1.00 0.00 H new ATOM 0 HH11 ARG A 12 7.183 -2.635 6.931 1.00 0.00 H new ATOM 0 HH12 ARG A 12 7.685 -2.778 8.619 1.00 0.00 H new ATOM 0 HH21 ARG A 12 7.372 0.644 9.259 1.00 0.00 H new ATOM 0 HH22 ARG A 12 7.790 -0.939 9.924 1.00 0.00 H new ATOM 257 N LYS A 13 3.154 4.447 5.523 1.00 0.00 N ATOM 258 CA LYS A 13 2.883 5.666 6.340 1.00 0.00 C ATOM 259 C LYS A 13 1.385 5.986 6.332 1.00 0.00 C ATOM 260 O LYS A 13 0.861 6.491 5.359 1.00 0.00 O ATOM 261 CB LYS A 13 3.674 6.784 5.659 1.00 0.00 C ATOM 262 CG LYS A 13 3.386 8.114 6.358 1.00 0.00 C ATOM 263 CD LYS A 13 4.705 8.821 6.676 1.00 0.00 C ATOM 264 CE LYS A 13 4.539 10.328 6.477 1.00 0.00 C ATOM 265 NZ LYS A 13 5.703 10.940 7.175 1.00 0.00 N ATOM 0 H LYS A 13 2.365 4.109 4.972 1.00 0.00 H new ATOM 0 HA LYS A 13 3.175 5.538 7.382 1.00 0.00 H new ATOM 0 HB2 LYS A 13 4.741 6.564 5.698 1.00 0.00 H new ATOM 0 HB3 LYS A 13 3.400 6.848 4.606 1.00 0.00 H new ATOM 0 HG2 LYS A 13 2.767 8.745 5.720 1.00 0.00 H new ATOM 0 HG3 LYS A 13 2.824 7.940 7.276 1.00 0.00 H new ATOM 0 HD2 LYS A 13 5.004 8.610 7.703 1.00 0.00 H new ATOM 0 HD3 LYS A 13 5.497 8.443 6.029 1.00 0.00 H new ATOM 0 HE2 LYS A 13 4.532 10.588 5.418 1.00 0.00 H new ATOM 0 HE3 LYS A 13 3.597 10.680 6.897 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 5.659 11.975 7.082 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 5.679 10.681 8.182 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 6.586 10.592 6.749 1.00 0.00 H new HETATM 279 N NH2 A 14 0.669 5.710 7.387 1.00 0.00 N TER 282 NH2 A 14