USER MOD reduce.3.24.130724 H: found=0, std=0, add=138, 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 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 GLN : amide:sc= -2.15 K(o=-2.2,f=-6.6!) USER MOD Single : A 9 ASN : amide:sc= -1.46 K(o=-1.5,f=-3.9!) USER MOD Single : A 12 MET CE :methyl -124:sc= -5.29! (180deg=-12.7!) USER MOD Single : A 13 LYS NZ :NH3+ 162:sc= -1.56 (180deg=-1.96) USER MOD Single : A 15 LYS NZ :NH3+ -148:sc= 0 (180deg=-0.169) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 63 N LYS A 4 -2.878 4.973 -2.489 1.00 15.00 N ATOM 64 CA LYS A 4 -1.571 4.537 -1.954 1.00 15.00 C ATOM 65 C LYS A 4 -1.776 3.212 -1.255 1.00 15.00 C ATOM 66 O LYS A 4 -1.001 2.297 -1.384 1.00 15.00 O ATOM 67 CB LYS A 4 -1.160 5.595 -0.932 1.00 15.00 C ATOM 68 CG LYS A 4 -0.394 6.700 -1.629 1.00 15.00 C ATOM 69 CD LYS A 4 -1.366 7.505 -2.462 1.00 15.00 C ATOM 70 CE LYS A 4 -0.808 8.907 -2.706 1.00 15.00 C ATOM 71 NZ LYS A 4 -2.008 9.779 -2.852 1.00 15.00 N ATOM 0 HA LYS A 4 -0.814 4.425 -2.730 1.00 15.00 H new ATOM 0 HB2 LYS A 4 -2.043 6.004 -0.441 1.00 15.00 H new ATOM 0 HB3 LYS A 4 -0.543 5.145 -0.155 1.00 15.00 H new ATOM 0 HG2 LYS A 4 0.098 7.340 -0.897 1.00 15.00 H new ATOM 0 HG3 LYS A 4 0.388 6.279 -2.261 1.00 15.00 H new ATOM 0 HD2 LYS A 4 -1.544 7.004 -3.414 1.00 15.00 H new ATOM 0 HD3 LYS A 4 -2.327 7.571 -1.952 1.00 15.00 H new ATOM 0 HE2 LYS A 4 -0.182 9.233 -1.875 1.00 15.00 H new ATOM 0 HE3 LYS A 4 -0.188 8.935 -3.602 1.00 15.00 H new ATOM 0 HZ1 LYS A 4 -1.706 10.760 -3.022 1.00 15.00 H new ATOM 0 HZ2 LYS A 4 -2.581 9.449 -3.654 1.00 15.00 H new ATOM 0 HZ3 LYS A 4 -2.575 9.738 -1.981 1.00 15.00 H new ATOM 85 N ILE A 5 -2.848 3.105 -0.533 1.00 15.00 N ATOM 86 CA ILE A 5 -3.158 1.836 0.173 1.00 15.00 C ATOM 87 C ILE A 5 -3.131 0.710 -0.841 1.00 15.00 C ATOM 88 O ILE A 5 -2.811 -0.419 -0.537 1.00 15.00 O ATOM 89 CB ILE A 5 -4.564 2.051 0.726 1.00 15.00 C ATOM 90 CG1 ILE A 5 -4.579 3.303 1.620 1.00 15.00 C ATOM 91 CG2 ILE A 5 -4.987 0.830 1.545 1.00 15.00 C ATOM 92 CD1 ILE A 5 -3.197 3.544 2.241 1.00 15.00 C ATOM 0 H ILE A 5 -3.532 3.850 -0.399 1.00 15.00 H new ATOM 0 HA ILE A 5 -2.454 1.580 0.965 1.00 15.00 H new ATOM 0 HB ILE A 5 -5.261 2.188 -0.101 1.00 15.00 H new ATOM 0 HG12 ILE A 5 -4.875 4.172 1.032 1.00 15.00 H new ATOM 0 HG13 ILE A 5 -5.322 3.183 2.409 1.00 15.00 H new ATOM 0 HG21 ILE A 5 -5.991 0.986 1.939 1.00 15.00 H new ATOM 0 HG22 ILE A 5 -4.980 -0.055 0.909 1.00 15.00 H new ATOM 0 HG23 ILE A 5 -4.291 0.688 2.372 1.00 15.00 H new ATOM 0 HD11 ILE A 5 -3.231 4.434 2.869 1.00 15.00 H new ATOM 0 HD12 ILE A 5 -2.915 2.683 2.847 1.00 15.00 H new ATOM 0 HD13 ILE A 5 -2.462 3.687 1.449 1.00 15.00 H new ATOM 104 N PHE A 6 -3.423 1.039 -2.061 1.00 15.00 N ATOM 105 CA PHE A 6 -3.370 0.008 -3.136 1.00 15.00 C ATOM 106 C PHE A 6 -1.899 -0.291 -3.424 1.00 15.00 C ATOM 107 O PHE A 6 -1.515 -1.410 -3.699 1.00 15.00 O ATOM 108 CB PHE A 6 -4.051 0.641 -4.350 1.00 15.00 C ATOM 109 CG PHE A 6 -4.360 -0.431 -5.368 1.00 15.00 C ATOM 110 CD1 PHE A 6 -3.321 -1.022 -6.099 1.00 15.00 C ATOM 111 CD2 PHE A 6 -5.683 -0.834 -5.581 1.00 15.00 C ATOM 112 CE1 PHE A 6 -3.607 -2.016 -7.041 1.00 15.00 C ATOM 113 CE2 PHE A 6 -5.968 -1.828 -6.525 1.00 15.00 C ATOM 114 CZ PHE A 6 -4.930 -2.420 -7.255 1.00 15.00 C ATOM 0 H PHE A 6 -3.696 1.974 -2.365 1.00 15.00 H new ATOM 0 HA PHE A 6 -3.864 -0.926 -2.868 1.00 15.00 H new ATOM 0 HB2 PHE A 6 -4.969 1.144 -4.045 1.00 15.00 H new ATOM 0 HB3 PHE A 6 -3.403 1.400 -4.790 1.00 15.00 H new ATOM 0 HD1 PHE A 6 -2.300 -0.710 -5.935 1.00 15.00 H new ATOM 0 HD2 PHE A 6 -6.484 -0.379 -5.018 1.00 15.00 H new ATOM 0 HE1 PHE A 6 -2.806 -2.472 -7.604 1.00 15.00 H new ATOM 0 HE2 PHE A 6 -6.989 -2.138 -6.690 1.00 15.00 H new ATOM 0 HZ PHE A 6 -5.150 -3.187 -7.982 1.00 15.00 H new ATOM 124 N PHE A 7 -1.075 0.718 -3.321 1.00 15.00 N ATOM 125 CA PHE A 7 0.386 0.537 -3.540 1.00 15.00 C ATOM 126 C PHE A 7 1.048 0.247 -2.200 1.00 15.00 C ATOM 127 O PHE A 7 1.730 -0.741 -2.046 1.00 15.00 O ATOM 128 CB PHE A 7 0.871 1.874 -4.106 1.00 15.00 C ATOM 129 CG PHE A 7 1.390 1.676 -5.511 1.00 15.00 C ATOM 130 CD1 PHE A 7 2.371 0.710 -5.767 1.00 15.00 C ATOM 131 CD2 PHE A 7 0.891 2.461 -6.557 1.00 15.00 C ATOM 132 CE1 PHE A 7 2.852 0.528 -7.069 1.00 15.00 C ATOM 133 CE2 PHE A 7 1.371 2.279 -7.859 1.00 15.00 C ATOM 134 CZ PHE A 7 2.352 1.313 -8.115 1.00 15.00 C ATOM 0 H PHE A 7 -1.358 1.671 -3.092 1.00 15.00 H new ATOM 0 HA PHE A 7 0.622 -0.287 -4.213 1.00 15.00 H new ATOM 0 HB2 PHE A 7 0.055 2.596 -4.108 1.00 15.00 H new ATOM 0 HB3 PHE A 7 1.657 2.284 -3.472 1.00 15.00 H new ATOM 0 HD1 PHE A 7 2.757 0.105 -4.960 1.00 15.00 H new ATOM 0 HD2 PHE A 7 0.136 3.207 -6.359 1.00 15.00 H new ATOM 0 HE1 PHE A 7 3.608 -0.217 -7.266 1.00 15.00 H new ATOM 0 HE2 PHE A 7 0.985 2.884 -8.666 1.00 15.00 H new ATOM 0 HZ PHE A 7 2.723 1.173 -9.120 1.00 15.00 H new ATOM 144 N GLN A 8 0.829 1.092 -1.222 1.00 15.00 N ATOM 145 CA GLN A 8 1.409 0.862 0.131 1.00 15.00 C ATOM 146 C GLN A 8 1.218 -0.606 0.506 1.00 15.00 C ATOM 147 O GLN A 8 2.050 -1.212 1.144 1.00 15.00 O ATOM 148 CB GLN A 8 0.605 1.773 1.061 1.00 15.00 C ATOM 149 CG GLN A 8 0.890 3.238 0.716 1.00 15.00 C ATOM 150 CD GLN A 8 0.569 4.116 1.926 1.00 15.00 C ATOM 151 OE1 GLN A 8 -0.492 4.702 2.003 1.00 15.00 O ATOM 152 NE2 GLN A 8 1.447 4.232 2.884 1.00 15.00 N ATOM 0 H GLN A 8 0.267 1.939 -1.308 1.00 15.00 H new ATOM 0 HA GLN A 8 2.476 1.079 0.187 1.00 15.00 H new ATOM 0 HB2 GLN A 8 -0.460 1.565 0.959 1.00 15.00 H new ATOM 0 HB3 GLN A 8 0.870 1.575 2.100 1.00 15.00 H new ATOM 0 HG2 GLN A 8 1.935 3.359 0.432 1.00 15.00 H new ATOM 0 HG3 GLN A 8 0.289 3.545 -0.140 1.00 15.00 H new ATOM 0 HE21 GLN A 8 2.339 3.741 2.821 1.00 15.00 H new ATOM 0 HE22 GLN A 8 1.242 4.814 3.696 1.00 15.00 H new ATOM 161 N ASN A 9 0.144 -1.193 0.048 1.00 15.00 N ATOM 162 CA ASN A 9 -0.099 -2.639 0.315 1.00 15.00 C ATOM 163 C ASN A 9 1.055 -3.459 -0.272 1.00 15.00 C ATOM 164 O ASN A 9 1.174 -4.647 -0.044 1.00 15.00 O ATOM 165 CB ASN A 9 -1.403 -2.965 -0.417 1.00 15.00 C ATOM 166 CG ASN A 9 -1.788 -4.424 -0.159 1.00 15.00 C ATOM 167 OD1 ASN A 9 -1.220 -5.074 0.697 1.00 15.00 O ATOM 168 ND2 ASN A 9 -2.738 -4.970 -0.868 1.00 15.00 N ATOM 0 H ASN A 9 -0.579 -0.729 -0.503 1.00 15.00 H new ATOM 0 HA ASN A 9 -0.165 -2.866 1.379 1.00 15.00 H new ATOM 0 HB2 ASN A 9 -2.199 -2.303 -0.075 1.00 15.00 H new ATOM 0 HB3 ASN A 9 -1.283 -2.794 -1.487 1.00 15.00 H new ATOM 0 HD21 ASN A 9 -3.003 -5.941 -0.704 1.00 15.00 H new ATOM 0 HD22 ASN A 9 -3.215 -4.426 -1.586 1.00 15.00 H new ATOM 175 N ARG A 10 1.898 -2.818 -1.040 1.00 15.00 N ATOM 176 CA ARG A 10 3.046 -3.524 -1.670 1.00 15.00 C ATOM 177 C ARG A 10 4.345 -2.752 -1.413 1.00 15.00 C ATOM 178 O ARG A 10 5.401 -3.120 -1.890 1.00 15.00 O ATOM 179 CB ARG A 10 2.734 -3.521 -3.161 1.00 15.00 C ATOM 180 CG ARG A 10 1.306 -4.008 -3.386 1.00 15.00 C ATOM 181 CD ARG A 10 1.217 -5.506 -3.074 1.00 15.00 C ATOM 182 NE ARG A 10 0.257 -6.080 -4.057 1.00 15.00 N ATOM 183 CZ ARG A 10 -0.838 -5.441 -4.381 1.00 15.00 C ATOM 184 NH1 ARG A 10 -1.464 -4.720 -3.489 1.00 15.00 N ATOM 185 NH2 ARG A 10 -1.307 -5.525 -5.596 1.00 15.00 N ATOM 0 H ARG A 10 1.836 -1.823 -1.258 1.00 15.00 H new ATOM 0 HA ARG A 10 3.178 -4.530 -1.272 1.00 15.00 H new ATOM 0 HB2 ARG A 10 2.854 -2.516 -3.566 1.00 15.00 H new ATOM 0 HB3 ARG A 10 3.436 -4.164 -3.691 1.00 15.00 H new ATOM 0 HG2 ARG A 10 0.617 -3.452 -2.750 1.00 15.00 H new ATOM 0 HG3 ARG A 10 1.006 -3.823 -4.418 1.00 15.00 H new ATOM 0 HD2 ARG A 10 2.194 -5.980 -3.162 1.00 15.00 H new ATOM 0 HD3 ARG A 10 0.873 -5.671 -2.053 1.00 15.00 H new ATOM 0 HE ARG A 10 0.456 -6.985 -4.484 1.00 15.00 H new ATOM 0 HH11 ARG A 10 -1.099 -4.655 -2.539 1.00 15.00 H new ATOM 0 HH12 ARG A 10 -2.317 -4.222 -3.743 1.00 15.00 H new ATOM 0 HH21 ARG A 10 -0.820 -6.089 -6.293 1.00 15.00 H new ATOM 0 HH22 ARG A 10 -2.161 -5.027 -5.849 1.00 15.00 H new ATOM 199 N ARG A 11 4.269 -1.672 -0.681 1.00 15.00 N ATOM 200 CA ARG A 11 5.476 -0.853 -0.407 1.00 15.00 C ATOM 201 C ARG A 11 5.761 -0.892 1.074 1.00 15.00 C ATOM 202 O ARG A 11 6.854 -1.187 1.505 1.00 15.00 O ATOM 203 CB ARG A 11 5.097 0.574 -0.816 1.00 15.00 C ATOM 204 CG ARG A 11 4.081 0.546 -1.943 1.00 15.00 C ATOM 205 CD ARG A 11 4.574 1.403 -3.105 1.00 15.00 C ATOM 206 NE ARG A 11 4.741 2.759 -2.529 1.00 15.00 N ATOM 207 CZ ARG A 11 4.234 3.796 -3.136 1.00 15.00 C ATOM 208 NH1 ARG A 11 4.735 4.198 -4.271 1.00 15.00 N ATOM 209 NH2 ARG A 11 3.224 4.433 -2.607 1.00 15.00 N ATOM 0 H ARG A 11 3.409 -1.322 -0.258 1.00 15.00 H new ATOM 0 HA ARG A 11 6.356 -1.210 -0.942 1.00 15.00 H new ATOM 0 HB2 ARG A 11 4.686 1.108 0.041 1.00 15.00 H new ATOM 0 HB3 ARG A 11 5.987 1.117 -1.133 1.00 15.00 H new ATOM 0 HG2 ARG A 11 3.923 -0.479 -2.277 1.00 15.00 H new ATOM 0 HG3 ARG A 11 3.120 0.917 -1.588 1.00 15.00 H new ATOM 0 HD2 ARG A 11 5.515 1.024 -3.505 1.00 15.00 H new ATOM 0 HD3 ARG A 11 3.857 1.407 -3.926 1.00 15.00 H new ATOM 0 HE ARG A 11 5.254 2.881 -1.656 1.00 15.00 H new ATOM 0 HH11 ARG A 11 5.524 3.701 -4.685 1.00 15.00 H new ATOM 0 HH12 ARG A 11 4.338 5.009 -4.745 1.00 15.00 H new ATOM 0 HH21 ARG A 11 2.832 4.119 -1.719 1.00 15.00 H new ATOM 0 HH22 ARG A 11 2.827 5.244 -3.082 1.00 15.00 H new ATOM 223 N MET A 12 4.764 -0.614 1.855 1.00 15.00 N ATOM 224 CA MET A 12 4.966 -0.650 3.334 1.00 15.00 C ATOM 225 C MET A 12 4.758 -2.074 3.825 1.00 15.00 C ATOM 226 O MET A 12 5.467 -2.550 4.687 1.00 15.00 O ATOM 227 CB MET A 12 3.959 0.311 3.961 1.00 15.00 C ATOM 228 CG MET A 12 2.603 0.138 3.319 1.00 15.00 C ATOM 229 SD MET A 12 1.312 0.745 4.441 1.00 15.00 S ATOM 230 CE MET A 12 1.672 -0.342 5.843 1.00 15.00 C ATOM 0 H MET A 12 3.825 -0.365 1.544 1.00 15.00 H new ATOM 0 HA MET A 12 5.974 -0.344 3.612 1.00 15.00 H new ATOM 0 HB2 MET A 12 3.888 0.126 5.033 1.00 15.00 H new ATOM 0 HB3 MET A 12 4.300 1.339 3.836 1.00 15.00 H new ATOM 0 HG2 MET A 12 2.564 0.683 2.376 1.00 15.00 H new ATOM 0 HG3 MET A 12 2.431 -0.913 3.087 1.00 15.00 H new ATOM 0 HE1 MET A 12 0.774 -0.898 6.112 1.00 15.00 H new ATOM 0 HE2 MET A 12 2.463 -1.040 5.569 1.00 15.00 H new ATOM 0 HE3 MET A 12 1.996 0.257 6.694 1.00 15.00 H new ATOM 240 N LYS A 13 3.830 -2.780 3.239 1.00 15.00 N ATOM 241 CA LYS A 13 3.630 -4.198 3.627 1.00 15.00 C ATOM 242 C LYS A 13 4.833 -4.984 3.112 1.00 15.00 C ATOM 243 O LYS A 13 5.094 -6.104 3.504 1.00 15.00 O ATOM 244 CB LYS A 13 2.359 -4.651 2.917 1.00 15.00 C ATOM 245 CG LYS A 13 1.243 -3.607 3.046 1.00 15.00 C ATOM 246 CD LYS A 13 1.185 -2.994 4.450 1.00 15.00 C ATOM 247 CE LYS A 13 0.375 -3.905 5.374 1.00 15.00 C ATOM 248 NZ LYS A 13 1.381 -4.794 6.018 1.00 15.00 N ATOM 0 H LYS A 13 3.205 -2.434 2.511 1.00 15.00 H new ATOM 0 HA LYS A 13 3.540 -4.343 4.703 1.00 15.00 H new ATOM 0 HB2 LYS A 13 2.573 -4.829 1.863 1.00 15.00 H new ATOM 0 HB3 LYS A 13 2.023 -5.599 3.338 1.00 15.00 H new ATOM 0 HG2 LYS A 13 1.400 -2.817 2.312 1.00 15.00 H new ATOM 0 HG3 LYS A 13 0.285 -4.071 2.814 1.00 15.00 H new ATOM 0 HD2 LYS A 13 2.193 -2.864 4.843 1.00 15.00 H new ATOM 0 HD3 LYS A 13 0.730 -2.005 4.407 1.00 15.00 H new ATOM 0 HE2 LYS A 13 -0.173 -3.326 6.117 1.00 15.00 H new ATOM 0 HE3 LYS A 13 -0.360 -4.482 4.814 1.00 15.00 H new ATOM 0 HZ1 LYS A 13 0.968 -5.227 6.868 1.00 15.00 H new ATOM 0 HZ2 LYS A 13 1.662 -5.541 5.351 1.00 15.00 H new ATOM 0 HZ3 LYS A 13 2.217 -4.236 6.285 1.00 15.00 H new ATOM 262 N PHE A 14 5.571 -4.364 2.231 1.00 15.00 N ATOM 263 CA PHE A 14 6.781 -4.986 1.649 1.00 15.00 C ATOM 264 C PHE A 14 7.907 -4.939 2.678 1.00 15.00 C ATOM 265 O PHE A 14 8.898 -5.632 2.567 1.00 15.00 O ATOM 266 CB PHE A 14 7.096 -4.094 0.447 1.00 15.00 C ATOM 267 CG PHE A 14 7.311 -4.950 -0.779 1.00 15.00 C ATOM 268 CD1 PHE A 14 6.305 -5.826 -1.206 1.00 15.00 C ATOM 269 CD2 PHE A 14 8.514 -4.867 -1.490 1.00 15.00 C ATOM 270 CE1 PHE A 14 6.504 -6.619 -2.342 1.00 15.00 C ATOM 271 CE2 PHE A 14 8.713 -5.661 -2.626 1.00 15.00 C ATOM 272 CZ PHE A 14 7.707 -6.537 -3.052 1.00 15.00 C ATOM 0 H PHE A 14 5.374 -3.425 1.885 1.00 15.00 H new ATOM 0 HA PHE A 14 6.654 -6.030 1.364 1.00 15.00 H new ATOM 0 HB2 PHE A 14 6.277 -3.395 0.276 1.00 15.00 H new ATOM 0 HB3 PHE A 14 7.987 -3.498 0.647 1.00 15.00 H new ATOM 0 HD1 PHE A 14 5.376 -5.890 -0.659 1.00 15.00 H new ATOM 0 HD2 PHE A 14 9.289 -4.190 -1.162 1.00 15.00 H new ATOM 0 HE1 PHE A 14 5.728 -7.295 -2.671 1.00 15.00 H new ATOM 0 HE2 PHE A 14 9.642 -5.598 -3.173 1.00 15.00 H new ATOM 0 HZ PHE A 14 7.860 -7.149 -3.928 1.00 15.00 H new ATOM 282 N LYS A 15 7.744 -4.129 3.689 1.00 15.00 N ATOM 283 CA LYS A 15 8.785 -4.031 4.746 1.00 15.00 C ATOM 284 C LYS A 15 8.117 -3.906 6.114 1.00 15.00 C ATOM 285 O LYS A 15 8.760 -3.648 7.114 1.00 15.00 O ATOM 286 CB LYS A 15 9.584 -2.766 4.421 1.00 15.00 C ATOM 287 CG LYS A 15 8.636 -1.591 4.166 1.00 15.00 C ATOM 288 CD LYS A 15 9.035 -0.890 2.868 1.00 15.00 C ATOM 289 CE LYS A 15 10.446 -0.310 3.005 1.00 15.00 C ATOM 290 NZ LYS A 15 10.269 0.949 3.779 1.00 15.00 N ATOM 0 H LYS A 15 6.930 -3.529 3.827 1.00 15.00 H new ATOM 0 HA LYS A 15 9.428 -4.911 4.775 1.00 15.00 H new ATOM 0 HB2 LYS A 15 10.255 -2.529 5.247 1.00 15.00 H new ATOM 0 HB3 LYS A 15 10.207 -2.937 3.543 1.00 15.00 H new ATOM 0 HG2 LYS A 15 7.608 -1.947 4.099 1.00 15.00 H new ATOM 0 HG3 LYS A 15 8.677 -0.889 4.999 1.00 15.00 H new ATOM 0 HD2 LYS A 15 9.001 -1.595 2.038 1.00 15.00 H new ATOM 0 HD3 LYS A 15 8.325 -0.095 2.640 1.00 15.00 H new ATOM 0 HE2 LYS A 15 11.109 -1.003 3.523 1.00 15.00 H new ATOM 0 HE3 LYS A 15 10.889 -0.115 2.029 1.00 15.00 H new ATOM 0 HZ1 LYS A 15 10.981 1.644 3.478 1.00 15.00 H new ATOM 0 HZ2 LYS A 15 9.317 1.331 3.607 1.00 15.00 H new ATOM 0 HZ3 LYS A 15 10.384 0.752 4.794 1.00 15.00 H new ATOM 304 N LYS A 16 6.825 -4.074 6.156 1.00 15.00 N ATOM 305 CA LYS A 16 6.085 -3.959 7.429 1.00 15.00 C ATOM 306 C LYS A 16 6.644 -4.926 8.476 1.00 15.00 C ATOM 307 O LYS A 16 6.186 -4.873 9.606 1.00 15.00 O ATOM 308 CB LYS A 16 4.637 -4.284 7.050 1.00 15.00 C ATOM 309 CG LYS A 16 4.541 -5.696 6.465 1.00 15.00 C ATOM 310 CD LYS A 16 4.778 -6.718 7.569 1.00 15.00 C ATOM 311 CE LYS A 16 3.758 -7.854 7.457 1.00 15.00 C ATOM 312 NZ LYS A 16 4.518 -8.998 6.881 1.00 15.00 N ATOM 313 OXT LYS A 16 7.520 -5.702 8.130 1.00 15.00 O ATOM 0 H LYS A 16 6.247 -4.290 5.344 1.00 15.00 H new ATOM 0 HA LYS A 16 6.170 -2.972 7.884 1.00 15.00 H new ATOM 0 HB2 LYS A 16 3.998 -4.204 7.929 1.00 15.00 H new ATOM 0 HB3 LYS A 16 4.273 -3.557 6.324 1.00 15.00 H new ATOM 0 HG2 LYS A 16 3.560 -5.850 6.016 1.00 15.00 H new ATOM 0 HG3 LYS A 16 5.278 -5.824 5.672 1.00 15.00 H new ATOM 0 HD2 LYS A 16 5.789 -7.118 7.495 1.00 15.00 H new ATOM 0 HD3 LYS A 16 4.695 -6.238 8.544 1.00 15.00 H new ATOM 0 HE2 LYS A 16 3.341 -8.108 8.432 1.00 15.00 H new ATOM 0 HE3 LYS A 16 2.922 -7.573 6.816 1.00 15.00 H new ATOM 0 HZ1 LYS A 16 3.885 -9.816 6.774 1.00 15.00 H new ATOM 0 HZ2 LYS A 16 4.897 -8.729 5.951 1.00 15.00 H new ATOM 0 HZ3 LYS A 16 5.303 -9.248 7.516 1.00 15.00 H new