USER MOD reduce.3.24.130724 H: found=0, std=0, add=138, rem=0, adj=2 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 Set 1.1: A 8 GLN : amide:sc= -2.21 K(o=-2.2,f=-4.4!) USER MOD Set 1.2: A 12 MET CE :methyl 169:sc= 0 (180deg=-0.00811) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 ASN : amide:sc= -0.996 K(o=-1,f=-7.1!) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 LYS NZ :NH3+ -159:sc= -0.122 (180deg=-1.2) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 63 N LYS A 4 -3.037 4.855 -2.621 1.00 15.00 N ATOM 64 CA LYS A 4 -1.745 4.396 -2.067 1.00 15.00 C ATOM 65 C LYS A 4 -1.962 3.098 -1.318 1.00 15.00 C ATOM 66 O LYS A 4 -1.144 2.212 -1.351 1.00 15.00 O ATOM 67 CB LYS A 4 -1.315 5.488 -1.088 1.00 15.00 C ATOM 68 CG LYS A 4 -0.456 6.502 -1.815 1.00 15.00 C ATOM 69 CD LYS A 4 -1.350 7.329 -2.716 1.00 15.00 C ATOM 70 CE LYS A 4 -0.661 8.652 -3.065 1.00 15.00 C ATOM 71 NZ LYS A 4 -1.670 9.706 -2.762 1.00 15.00 N ATOM 0 HA LYS A 4 -0.997 4.225 -2.841 1.00 15.00 H new ATOM 0 HB2 LYS A 4 -2.192 5.976 -0.662 1.00 15.00 H new ATOM 0 HB3 LYS A 4 -0.759 5.051 -0.259 1.00 15.00 H new ATOM 0 HG2 LYS A 4 0.060 7.144 -1.101 1.00 15.00 H new ATOM 0 HG3 LYS A 4 0.311 5.997 -2.402 1.00 15.00 H new ATOM 0 HD2 LYS A 4 -1.575 6.775 -3.627 1.00 15.00 H new ATOM 0 HD3 LYS A 4 -2.300 7.524 -2.219 1.00 15.00 H new ATOM 0 HE2 LYS A 4 0.245 8.792 -2.475 1.00 15.00 H new ATOM 0 HE3 LYS A 4 -0.366 8.678 -4.114 1.00 15.00 H new ATOM 0 HZ1 LYS A 4 -1.270 10.642 -2.976 1.00 15.00 H new ATOM 0 HZ2 LYS A 4 -2.519 9.551 -3.343 1.00 15.00 H new ATOM 0 HZ3 LYS A 4 -1.927 9.662 -1.755 1.00 15.00 H new ATOM 85 N ILE A 5 -3.072 2.974 -0.657 1.00 15.00 N ATOM 86 CA ILE A 5 -3.368 1.727 0.087 1.00 15.00 C ATOM 87 C ILE A 5 -3.164 0.558 -0.862 1.00 15.00 C ATOM 88 O ILE A 5 -2.771 -0.524 -0.480 1.00 15.00 O ATOM 89 CB ILE A 5 -4.829 1.875 0.480 1.00 15.00 C ATOM 90 CG1 ILE A 5 -4.950 2.842 1.661 1.00 15.00 C ATOM 91 CG2 ILE A 5 -5.403 0.513 0.887 1.00 15.00 C ATOM 92 CD1 ILE A 5 -3.796 3.859 1.685 1.00 15.00 C ATOM 0 H ILE A 5 -3.795 3.691 -0.600 1.00 15.00 H new ATOM 0 HA ILE A 5 -2.738 1.557 0.960 1.00 15.00 H new ATOM 0 HB ILE A 5 -5.385 2.263 -0.373 1.00 15.00 H new ATOM 0 HG12 ILE A 5 -5.901 3.372 1.601 1.00 15.00 H new ATOM 0 HG13 ILE A 5 -4.957 2.278 2.594 1.00 15.00 H new ATOM 0 HG21 ILE A 5 -6.450 0.628 1.167 1.00 15.00 H new ATOM 0 HG22 ILE A 5 -5.326 -0.180 0.049 1.00 15.00 H new ATOM 0 HG23 ILE A 5 -4.842 0.120 1.735 1.00 15.00 H new ATOM 0 HD11 ILE A 5 -3.918 4.527 2.537 1.00 15.00 H new ATOM 0 HD12 ILE A 5 -2.847 3.330 1.771 1.00 15.00 H new ATOM 0 HD13 ILE A 5 -3.805 4.441 0.763 1.00 15.00 H new ATOM 104 N PHE A 6 -3.407 0.809 -2.113 1.00 15.00 N ATOM 105 CA PHE A 6 -3.204 -0.251 -3.141 1.00 15.00 C ATOM 106 C PHE A 6 -1.700 -0.432 -3.348 1.00 15.00 C ATOM 107 O PHE A 6 -1.206 -1.529 -3.525 1.00 15.00 O ATOM 108 CB PHE A 6 -3.873 0.279 -4.411 1.00 15.00 C ATOM 109 CG PHE A 6 -4.966 -0.670 -4.843 1.00 15.00 C ATOM 110 CD1 PHE A 6 -6.193 -0.679 -4.168 1.00 15.00 C ATOM 111 CD2 PHE A 6 -4.754 -1.538 -5.920 1.00 15.00 C ATOM 112 CE1 PHE A 6 -7.206 -1.559 -4.568 1.00 15.00 C ATOM 113 CE2 PHE A 6 -5.767 -2.418 -6.320 1.00 15.00 C ATOM 114 CZ PHE A 6 -6.992 -2.428 -5.645 1.00 15.00 C ATOM 0 H PHE A 6 -3.739 1.704 -2.473 1.00 15.00 H new ATOM 0 HA PHE A 6 -3.625 -1.216 -2.858 1.00 15.00 H new ATOM 0 HB2 PHE A 6 -4.289 1.270 -4.228 1.00 15.00 H new ATOM 0 HB3 PHE A 6 -3.135 0.385 -5.206 1.00 15.00 H new ATOM 0 HD1 PHE A 6 -6.358 -0.007 -3.339 1.00 15.00 H new ATOM 0 HD2 PHE A 6 -3.809 -1.529 -6.443 1.00 15.00 H new ATOM 0 HE1 PHE A 6 -8.152 -1.568 -4.046 1.00 15.00 H new ATOM 0 HE2 PHE A 6 -5.602 -3.089 -7.150 1.00 15.00 H new ATOM 0 HZ PHE A 6 -7.773 -3.106 -5.955 1.00 15.00 H new ATOM 124 N PHE A 7 -0.971 0.650 -3.292 1.00 15.00 N ATOM 125 CA PHE A 7 0.508 0.585 -3.448 1.00 15.00 C ATOM 126 C PHE A 7 1.137 0.352 -2.079 1.00 15.00 C ATOM 127 O PHE A 7 1.982 -0.501 -1.911 1.00 15.00 O ATOM 128 CB PHE A 7 0.905 1.957 -3.997 1.00 15.00 C ATOM 129 CG PHE A 7 1.752 1.785 -5.235 1.00 15.00 C ATOM 130 CD1 PHE A 7 2.926 1.024 -5.179 1.00 15.00 C ATOM 131 CD2 PHE A 7 1.364 2.388 -6.438 1.00 15.00 C ATOM 132 CE1 PHE A 7 3.711 0.864 -6.327 1.00 15.00 C ATOM 133 CE2 PHE A 7 2.150 2.228 -7.585 1.00 15.00 C ATOM 134 CZ PHE A 7 3.323 1.467 -7.530 1.00 15.00 C ATOM 0 H PHE A 7 -1.344 1.588 -3.143 1.00 15.00 H new ATOM 0 HA PHE A 7 0.836 -0.220 -4.106 1.00 15.00 H new ATOM 0 HB2 PHE A 7 0.013 2.537 -4.233 1.00 15.00 H new ATOM 0 HB3 PHE A 7 1.458 2.516 -3.241 1.00 15.00 H new ATOM 0 HD1 PHE A 7 3.226 0.561 -4.251 1.00 15.00 H new ATOM 0 HD2 PHE A 7 0.459 2.976 -6.481 1.00 15.00 H new ATOM 0 HE1 PHE A 7 4.616 0.276 -6.285 1.00 15.00 H new ATOM 0 HE2 PHE A 7 1.851 2.692 -8.513 1.00 15.00 H new ATOM 0 HZ PHE A 7 3.929 1.345 -8.415 1.00 15.00 H new ATOM 144 N GLN A 8 0.706 1.096 -1.095 1.00 15.00 N ATOM 145 CA GLN A 8 1.238 0.912 0.282 1.00 15.00 C ATOM 146 C GLN A 8 1.137 -0.560 0.649 1.00 15.00 C ATOM 147 O GLN A 8 2.003 -1.119 1.282 1.00 15.00 O ATOM 148 CB GLN A 8 0.333 1.756 1.174 1.00 15.00 C ATOM 149 CG GLN A 8 0.547 3.236 0.845 1.00 15.00 C ATOM 150 CD GLN A 8 -0.031 4.100 1.969 1.00 15.00 C ATOM 151 OE1 GLN A 8 -0.911 3.672 2.688 1.00 15.00 O ATOM 152 NE2 GLN A 8 0.431 5.307 2.151 1.00 15.00 N ATOM 0 H GLN A 8 0.002 1.828 -1.190 1.00 15.00 H new ATOM 0 HA GLN A 8 2.281 1.211 0.384 1.00 15.00 H new ATOM 0 HB2 GLN A 8 -0.711 1.483 1.017 1.00 15.00 H new ATOM 0 HB3 GLN A 8 0.558 1.568 2.224 1.00 15.00 H new ATOM 0 HG2 GLN A 8 1.610 3.442 0.724 1.00 15.00 H new ATOM 0 HG3 GLN A 8 0.065 3.482 -0.101 1.00 15.00 H new ATOM 0 HE21 GLN A 8 1.170 5.667 1.547 1.00 15.00 H new ATOM 0 HE22 GLN A 8 0.053 5.891 2.897 1.00 15.00 H new ATOM 161 N ASN A 9 0.100 -1.206 0.194 1.00 15.00 N ATOM 162 CA ASN A 9 -0.052 -2.660 0.464 1.00 15.00 C ATOM 163 C ASN A 9 1.143 -3.406 -0.133 1.00 15.00 C ATOM 164 O ASN A 9 1.331 -4.586 0.084 1.00 15.00 O ATOM 165 CB ASN A 9 -1.333 -3.064 -0.260 1.00 15.00 C ATOM 166 CG ASN A 9 -1.616 -4.547 -0.012 1.00 15.00 C ATOM 167 OD1 ASN A 9 -1.894 -5.288 -0.934 1.00 15.00 O ATOM 168 ND2 ASN A 9 -1.557 -5.016 1.204 1.00 15.00 N ATOM 0 H ASN A 9 -0.651 -0.787 -0.355 1.00 15.00 H new ATOM 0 HA ASN A 9 -0.097 -2.890 1.529 1.00 15.00 H new ATOM 0 HB2 ASN A 9 -2.169 -2.460 0.093 1.00 15.00 H new ATOM 0 HB3 ASN A 9 -1.233 -2.876 -1.329 1.00 15.00 H new ATOM 0 HD21 ASN A 9 -1.744 -6.003 1.379 1.00 15.00 H new ATOM 0 HD22 ASN A 9 -1.324 -4.395 1.979 1.00 15.00 H new ATOM 175 N ARG A 10 1.941 -2.713 -0.903 1.00 15.00 N ATOM 176 CA ARG A 10 3.116 -3.350 -1.545 1.00 15.00 C ATOM 177 C ARG A 10 4.377 -2.511 -1.313 1.00 15.00 C ATOM 178 O ARG A 10 5.426 -2.799 -1.857 1.00 15.00 O ATOM 179 CB ARG A 10 2.789 -3.367 -3.033 1.00 15.00 C ATOM 180 CG ARG A 10 1.384 -3.919 -3.242 1.00 15.00 C ATOM 181 CD ARG A 10 1.355 -5.412 -2.891 1.00 15.00 C ATOM 182 NE ARG A 10 0.450 -6.055 -3.881 1.00 15.00 N ATOM 183 CZ ARG A 10 -0.673 -5.484 -4.235 1.00 15.00 C ATOM 184 NH1 ARG A 10 -1.738 -5.622 -3.493 1.00 15.00 N ATOM 185 NH2 ARG A 10 -0.728 -4.777 -5.331 1.00 15.00 N ATOM 0 H ARG A 10 1.822 -1.722 -1.113 1.00 15.00 H new ATOM 0 HA ARG A 10 3.306 -4.345 -1.141 1.00 15.00 H new ATOM 0 HB2 ARG A 10 2.859 -2.359 -3.442 1.00 15.00 H new ATOM 0 HB3 ARG A 10 3.515 -3.980 -3.568 1.00 15.00 H new ATOM 0 HG2 ARG A 10 0.673 -3.376 -2.619 1.00 15.00 H new ATOM 0 HG3 ARG A 10 1.076 -3.773 -4.278 1.00 15.00 H new ATOM 0 HD2 ARG A 10 2.355 -5.843 -2.941 1.00 15.00 H new ATOM 0 HD3 ARG A 10 0.992 -5.566 -1.875 1.00 15.00 H new ATOM 0 HE ARG A 10 0.708 -6.953 -4.290 1.00 15.00 H new ATOM 0 HH11 ARG A 10 -1.695 -6.175 -2.637 1.00 15.00 H new ATOM 0 HH12 ARG A 10 -2.613 -5.177 -3.769 1.00 15.00 H new ATOM 0 HH21 ARG A 10 0.104 -4.670 -5.911 1.00 15.00 H new ATOM 0 HH22 ARG A 10 -1.603 -4.332 -5.607 1.00 15.00 H new ATOM 199 N ARG A 11 4.291 -1.462 -0.528 1.00 15.00 N ATOM 200 CA ARG A 11 5.482 -0.617 -0.298 1.00 15.00 C ATOM 201 C ARG A 11 5.839 -0.651 1.178 1.00 15.00 C ATOM 202 O ARG A 11 6.989 -0.675 1.552 1.00 15.00 O ATOM 203 CB ARG A 11 5.044 0.780 -0.778 1.00 15.00 C ATOM 204 CG ARG A 11 4.558 1.654 0.370 1.00 15.00 C ATOM 205 CD ARG A 11 5.647 2.646 0.772 1.00 15.00 C ATOM 206 NE ARG A 11 6.884 1.848 0.952 1.00 15.00 N ATOM 207 CZ ARG A 11 7.605 1.985 2.032 1.00 15.00 C ATOM 208 NH1 ARG A 11 7.025 2.109 3.193 1.00 15.00 N ATOM 209 NH2 ARG A 11 8.908 1.999 1.948 1.00 15.00 N ATOM 0 H ARG A 11 3.445 -1.164 -0.043 1.00 15.00 H new ATOM 0 HA ARG A 11 6.377 -0.945 -0.826 1.00 15.00 H new ATOM 0 HB2 ARG A 11 5.880 1.270 -1.277 1.00 15.00 H new ATOM 0 HB3 ARG A 11 4.249 0.676 -1.516 1.00 15.00 H new ATOM 0 HG2 ARG A 11 3.658 2.191 0.072 1.00 15.00 H new ATOM 0 HG3 ARG A 11 4.290 1.031 1.223 1.00 15.00 H new ATOM 0 HD2 ARG A 11 5.783 3.408 0.004 1.00 15.00 H new ATOM 0 HD3 ARG A 11 5.381 3.165 1.693 1.00 15.00 H new ATOM 0 HE ARG A 11 7.173 1.189 0.229 1.00 15.00 H new ATOM 0 HH11 ARG A 11 6.007 2.099 3.258 1.00 15.00 H new ATOM 0 HH12 ARG A 11 7.589 2.216 4.036 1.00 15.00 H new ATOM 0 HH21 ARG A 11 9.362 1.903 1.039 1.00 15.00 H new ATOM 0 HH22 ARG A 11 9.472 2.106 2.791 1.00 15.00 H new ATOM 223 N MET A 12 4.847 -0.682 2.012 1.00 15.00 N ATOM 224 CA MET A 12 5.108 -0.749 3.479 1.00 15.00 C ATOM 225 C MET A 12 4.885 -2.182 3.928 1.00 15.00 C ATOM 226 O MET A 12 5.590 -2.697 4.772 1.00 15.00 O ATOM 227 CB MET A 12 4.130 0.213 4.160 1.00 15.00 C ATOM 228 CG MET A 12 2.831 0.279 3.387 1.00 15.00 C ATOM 229 SD MET A 12 1.476 0.710 4.509 1.00 15.00 S ATOM 230 CE MET A 12 1.837 2.479 4.627 1.00 15.00 C ATOM 0 H MET A 12 3.862 -0.664 1.746 1.00 15.00 H new ATOM 0 HA MET A 12 6.127 -0.462 3.737 1.00 15.00 H new ATOM 0 HB2 MET A 12 3.937 -0.117 5.181 1.00 15.00 H new ATOM 0 HB3 MET A 12 4.573 1.207 4.225 1.00 15.00 H new ATOM 0 HG2 MET A 12 2.907 1.020 2.591 1.00 15.00 H new ATOM 0 HG3 MET A 12 2.631 -0.681 2.911 1.00 15.00 H new ATOM 0 HE1 MET A 12 1.008 2.988 5.118 1.00 15.00 H new ATOM 0 HE2 MET A 12 2.748 2.627 5.207 1.00 15.00 H new ATOM 0 HE3 MET A 12 1.973 2.890 3.627 1.00 15.00 H new ATOM 240 N LYS A 13 3.948 -2.854 3.315 1.00 15.00 N ATOM 241 CA LYS A 13 3.728 -4.279 3.647 1.00 15.00 C ATOM 242 C LYS A 13 4.889 -5.059 3.035 1.00 15.00 C ATOM 243 O LYS A 13 5.147 -6.202 3.355 1.00 15.00 O ATOM 244 CB LYS A 13 2.417 -4.666 2.973 1.00 15.00 C ATOM 245 CG LYS A 13 1.352 -3.574 3.137 1.00 15.00 C ATOM 246 CD LYS A 13 1.377 -2.937 4.534 1.00 15.00 C ATOM 247 CE LYS A 13 0.484 -3.743 5.481 1.00 15.00 C ATOM 248 NZ LYS A 13 1.323 -3.990 6.687 1.00 15.00 N ATOM 0 H LYS A 13 3.329 -2.473 2.600 1.00 15.00 H new ATOM 0 HA LYS A 13 3.679 -4.478 4.718 1.00 15.00 H new ATOM 0 HB2 LYS A 13 2.592 -4.847 1.913 1.00 15.00 H new ATOM 0 HB3 LYS A 13 2.050 -5.600 3.399 1.00 15.00 H new ATOM 0 HG2 LYS A 13 1.510 -2.801 2.385 1.00 15.00 H new ATOM 0 HG3 LYS A 13 0.366 -4.001 2.953 1.00 15.00 H new ATOM 0 HD2 LYS A 13 2.398 -2.911 4.915 1.00 15.00 H new ATOM 0 HD3 LYS A 13 1.030 -1.905 4.481 1.00 15.00 H new ATOM 0 HE2 LYS A 13 -0.420 -3.191 5.736 1.00 15.00 H new ATOM 0 HE3 LYS A 13 0.167 -4.680 5.023 1.00 15.00 H new ATOM 0 HZ1 LYS A 13 0.778 -4.538 7.383 1.00 15.00 H new ATOM 0 HZ2 LYS A 13 2.173 -4.523 6.415 1.00 15.00 H new ATOM 0 HZ3 LYS A 13 1.604 -3.081 7.106 1.00 15.00 H new ATOM 262 N PHE A 14 5.599 -4.402 2.154 1.00 15.00 N ATOM 263 CA PHE A 14 6.770 -5.008 1.486 1.00 15.00 C ATOM 264 C PHE A 14 7.927 -5.065 2.478 1.00 15.00 C ATOM 265 O PHE A 14 8.892 -5.780 2.291 1.00 15.00 O ATOM 266 CB PHE A 14 7.075 -4.039 0.338 1.00 15.00 C ATOM 267 CG PHE A 14 7.189 -4.803 -0.959 1.00 15.00 C ATOM 268 CD1 PHE A 14 6.112 -5.573 -1.416 1.00 15.00 C ATOM 269 CD2 PHE A 14 8.372 -4.743 -1.706 1.00 15.00 C ATOM 270 CE1 PHE A 14 6.217 -6.280 -2.618 1.00 15.00 C ATOM 271 CE2 PHE A 14 8.478 -5.452 -2.909 1.00 15.00 C ATOM 272 CZ PHE A 14 7.400 -6.220 -3.365 1.00 15.00 C ATOM 0 H PHE A 14 5.402 -3.443 1.868 1.00 15.00 H new ATOM 0 HA PHE A 14 6.603 -6.024 1.129 1.00 15.00 H new ATOM 0 HB2 PHE A 14 6.286 -3.291 0.262 1.00 15.00 H new ATOM 0 HB3 PHE A 14 8.003 -3.504 0.538 1.00 15.00 H new ATOM 0 HD1 PHE A 14 5.200 -5.621 -0.840 1.00 15.00 H new ATOM 0 HD2 PHE A 14 9.203 -4.150 -1.354 1.00 15.00 H new ATOM 0 HE1 PHE A 14 5.386 -6.872 -2.970 1.00 15.00 H new ATOM 0 HE2 PHE A 14 9.391 -5.406 -3.485 1.00 15.00 H new ATOM 0 HZ PHE A 14 7.481 -6.766 -4.293 1.00 15.00 H new ATOM 282 N LYS A 15 7.823 -4.316 3.545 1.00 15.00 N ATOM 283 CA LYS A 15 8.899 -4.319 4.570 1.00 15.00 C ATOM 284 C LYS A 15 8.283 -4.262 5.966 1.00 15.00 C ATOM 285 O LYS A 15 8.966 -4.083 6.955 1.00 15.00 O ATOM 286 CB LYS A 15 9.725 -3.061 4.300 1.00 15.00 C ATOM 287 CG LYS A 15 8.809 -1.843 4.154 1.00 15.00 C ATOM 288 CD LYS A 15 9.194 -1.062 2.897 1.00 15.00 C ATOM 289 CE LYS A 15 10.674 -0.666 2.956 1.00 15.00 C ATOM 290 NZ LYS A 15 10.804 0.165 4.187 1.00 15.00 N ATOM 0 H LYS A 15 7.035 -3.701 3.748 1.00 15.00 H new ATOM 0 HA LYS A 15 9.512 -5.219 4.520 1.00 15.00 H new ATOM 0 HB2 LYS A 15 10.429 -2.899 5.116 1.00 15.00 H new ATOM 0 HB3 LYS A 15 10.314 -3.192 3.392 1.00 15.00 H new ATOM 0 HG2 LYS A 15 7.769 -2.163 4.092 1.00 15.00 H new ATOM 0 HG3 LYS A 15 8.894 -1.203 5.033 1.00 15.00 H new ATOM 0 HD2 LYS A 15 9.007 -1.669 2.011 1.00 15.00 H new ATOM 0 HD3 LYS A 15 8.574 -0.170 2.809 1.00 15.00 H new ATOM 0 HE2 LYS A 15 11.316 -1.546 3.004 1.00 15.00 H new ATOM 0 HE3 LYS A 15 10.968 -0.105 2.069 1.00 15.00 H new ATOM 0 HZ1 LYS A 15 11.658 0.755 4.119 1.00 15.00 H new ATOM 0 HZ2 LYS A 15 9.968 0.776 4.283 1.00 15.00 H new ATOM 0 HZ3 LYS A 15 10.877 -0.455 5.019 1.00 15.00 H new ATOM 304 N LYS A 16 6.989 -4.401 6.046 1.00 15.00 N ATOM 305 CA LYS A 16 6.302 -4.345 7.351 1.00 15.00 C ATOM 306 C LYS A 16 6.876 -5.387 8.317 1.00 15.00 C ATOM 307 O LYS A 16 6.502 -5.359 9.477 1.00 15.00 O ATOM 308 CB LYS A 16 4.832 -4.613 7.011 1.00 15.00 C ATOM 309 CG LYS A 16 4.681 -5.983 6.344 1.00 15.00 C ATOM 310 CD LYS A 16 4.925 -7.078 7.375 1.00 15.00 C ATOM 311 CE LYS A 16 3.856 -8.166 7.244 1.00 15.00 C ATOM 312 NZ LYS A 16 4.528 -9.280 6.517 1.00 15.00 N ATOM 313 OXT LYS A 16 7.679 -6.193 7.877 1.00 15.00 O ATOM 0 H LYS A 16 6.375 -4.553 5.245 1.00 15.00 H new ATOM 0 HA LYS A 16 6.430 -3.390 7.860 1.00 15.00 H new ATOM 0 HB2 LYS A 16 4.229 -4.574 7.918 1.00 15.00 H new ATOM 0 HB3 LYS A 16 4.458 -3.834 6.346 1.00 15.00 H new ATOM 0 HG2 LYS A 16 3.682 -6.085 5.919 1.00 15.00 H new ATOM 0 HG3 LYS A 16 5.389 -6.079 5.521 1.00 15.00 H new ATOM 0 HD2 LYS A 16 5.915 -7.510 7.232 1.00 15.00 H new ATOM 0 HD3 LYS A 16 4.904 -6.655 8.379 1.00 15.00 H new ATOM 0 HE2 LYS A 16 3.501 -8.490 8.222 1.00 15.00 H new ATOM 0 HE3 LYS A 16 2.988 -7.802 6.694 1.00 15.00 H new ATOM 0 HZ1 LYS A 16 3.858 -10.065 6.389 1.00 15.00 H new ATOM 0 HZ2 LYS A 16 4.849 -8.944 5.587 1.00 15.00 H new ATOM 0 HZ3 LYS A 16 5.346 -9.610 7.067 1.00 15.00 H new