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= -3.43! K(o=-3.7!,f=-1.5) USER MOD Set 1.2: A 12 MET CE :methyl 155:sc= -0.234 (180deg=-0.943) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 ASN : amide:sc= -1.08 K(o=-1.1,f=-2.8!) USER MOD Single : A 13 LYS NZ :NH3+ 158:sc= -1.28 (180deg=-2.73!) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 63 N LYS A 4 -2.803 5.007 -2.511 1.00 15.00 N ATOM 64 CA LYS A 4 -1.518 4.520 -1.971 1.00 15.00 C ATOM 65 C LYS A 4 -1.773 3.219 -1.243 1.00 15.00 C ATOM 66 O LYS A 4 -1.013 2.286 -1.324 1.00 15.00 O ATOM 67 CB LYS A 4 -1.047 5.592 -0.994 1.00 15.00 C ATOM 68 CG LYS A 4 -0.262 6.644 -1.755 1.00 15.00 C ATOM 69 CD LYS A 4 -1.210 7.385 -2.675 1.00 15.00 C ATOM 70 CE LYS A 4 -0.574 8.708 -3.112 1.00 15.00 C ATOM 71 NZ LYS A 4 0.308 8.349 -4.258 1.00 15.00 N ATOM 0 HA LYS A 4 -0.771 4.343 -2.745 1.00 15.00 H new ATOM 0 HB2 LYS A 4 -1.902 6.048 -0.495 1.00 15.00 H new ATOM 0 HB3 LYS A 4 -0.425 5.147 -0.218 1.00 15.00 H new ATOM 0 HG2 LYS A 4 0.211 7.338 -1.061 1.00 15.00 H new ATOM 0 HG3 LYS A 4 0.536 6.177 -2.332 1.00 15.00 H new ATOM 0 HD2 LYS A 4 -1.437 6.773 -3.548 1.00 15.00 H new ATOM 0 HD3 LYS A 4 -2.154 7.575 -2.164 1.00 15.00 H new ATOM 0 HE2 LYS A 4 -1.333 9.432 -3.409 1.00 15.00 H new ATOM 0 HE3 LYS A 4 -0.003 9.159 -2.300 1.00 15.00 H new ATOM 0 HZ1 LYS A 4 0.780 9.204 -4.614 1.00 15.00 H new ATOM 0 HZ2 LYS A 4 1.024 7.664 -3.943 1.00 15.00 H new ATOM 0 HZ3 LYS A 4 -0.264 7.928 -5.018 1.00 15.00 H new ATOM 85 N ILE A 5 -2.866 3.148 -0.555 1.00 15.00 N ATOM 86 CA ILE A 5 -3.221 1.900 0.169 1.00 15.00 C ATOM 87 C ILE A 5 -3.193 0.751 -0.819 1.00 15.00 C ATOM 88 O ILE A 5 -2.899 -0.378 -0.482 1.00 15.00 O ATOM 89 CB ILE A 5 -4.636 2.154 0.680 1.00 15.00 C ATOM 90 CG1 ILE A 5 -4.657 3.451 1.508 1.00 15.00 C ATOM 91 CG2 ILE A 5 -5.088 0.983 1.554 1.00 15.00 C ATOM 92 CD1 ILE A 5 -3.303 3.668 2.194 1.00 15.00 C ATOM 0 H ILE A 5 -3.540 3.908 -0.459 1.00 15.00 H new ATOM 0 HA ILE A 5 -2.542 1.648 0.984 1.00 15.00 H new ATOM 0 HB ILE A 5 -5.313 2.252 -0.168 1.00 15.00 H new ATOM 0 HG12 ILE A 5 -4.885 4.299 0.862 1.00 15.00 H new ATOM 0 HG13 ILE A 5 -5.447 3.399 2.257 1.00 15.00 H new ATOM 0 HG21 ILE A 5 -6.099 1.169 1.917 1.00 15.00 H new ATOM 0 HG22 ILE A 5 -5.076 0.065 0.967 1.00 15.00 H new ATOM 0 HG23 ILE A 5 -4.411 0.880 2.402 1.00 15.00 H new ATOM 0 HD11 ILE A 5 -3.333 4.589 2.776 1.00 15.00 H new ATOM 0 HD12 ILE A 5 -3.091 2.828 2.855 1.00 15.00 H new ATOM 0 HD13 ILE A 5 -2.520 3.741 1.439 1.00 15.00 H new ATOM 104 N PHE A 6 -3.461 1.053 -2.054 1.00 15.00 N ATOM 105 CA PHE A 6 -3.408 -0.010 -3.099 1.00 15.00 C ATOM 106 C PHE A 6 -1.938 -0.309 -3.391 1.00 15.00 C ATOM 107 O PHE A 6 -1.558 -1.426 -3.687 1.00 15.00 O ATOM 108 CB PHE A 6 -4.110 0.578 -4.324 1.00 15.00 C ATOM 109 CG PHE A 6 -5.557 0.147 -4.329 1.00 15.00 C ATOM 110 CD1 PHE A 6 -6.381 0.449 -3.238 1.00 15.00 C ATOM 111 CD2 PHE A 6 -6.074 -0.556 -5.424 1.00 15.00 C ATOM 112 CE1 PHE A 6 -7.723 0.050 -3.243 1.00 15.00 C ATOM 113 CE2 PHE A 6 -7.415 -0.955 -5.429 1.00 15.00 C ATOM 114 CZ PHE A 6 -8.240 -0.652 -4.339 1.00 15.00 C ATOM 0 H PHE A 6 -3.713 1.983 -2.388 1.00 15.00 H new ATOM 0 HA PHE A 6 -3.890 -0.940 -2.798 1.00 15.00 H new ATOM 0 HB2 PHE A 6 -4.043 1.666 -4.308 1.00 15.00 H new ATOM 0 HB3 PHE A 6 -3.616 0.242 -5.236 1.00 15.00 H new ATOM 0 HD1 PHE A 6 -5.981 0.990 -2.393 1.00 15.00 H new ATOM 0 HD2 PHE A 6 -5.438 -0.790 -6.265 1.00 15.00 H new ATOM 0 HE1 PHE A 6 -8.359 0.283 -2.402 1.00 15.00 H new ATOM 0 HE2 PHE A 6 -7.814 -1.497 -6.274 1.00 15.00 H new ATOM 0 HZ PHE A 6 -9.275 -0.960 -4.343 1.00 15.00 H new ATOM 124 N PHE A 7 -1.107 0.692 -3.273 1.00 15.00 N ATOM 125 CA PHE A 7 0.352 0.506 -3.497 1.00 15.00 C ATOM 126 C PHE A 7 1.018 0.224 -2.157 1.00 15.00 C ATOM 127 O PHE A 7 1.717 -0.753 -2.006 1.00 15.00 O ATOM 128 CB PHE A 7 0.837 1.836 -4.082 1.00 15.00 C ATOM 129 CG PHE A 7 1.408 1.614 -5.465 1.00 15.00 C ATOM 130 CD1 PHE A 7 0.721 0.818 -6.392 1.00 15.00 C ATOM 131 CD2 PHE A 7 2.626 2.207 -5.821 1.00 15.00 C ATOM 132 CE1 PHE A 7 1.251 0.617 -7.671 1.00 15.00 C ATOM 133 CE2 PHE A 7 3.155 2.005 -7.101 1.00 15.00 C ATOM 134 CZ PHE A 7 2.468 1.210 -8.026 1.00 15.00 C ATOM 0 H PHE A 7 -1.383 1.643 -3.027 1.00 15.00 H new ATOM 0 HA PHE A 7 0.585 -0.324 -4.164 1.00 15.00 H new ATOM 0 HB2 PHE A 7 0.010 2.545 -4.130 1.00 15.00 H new ATOM 0 HB3 PHE A 7 1.595 2.274 -3.432 1.00 15.00 H new ATOM 0 HD1 PHE A 7 -0.218 0.360 -6.119 1.00 15.00 H new ATOM 0 HD2 PHE A 7 3.157 2.820 -5.108 1.00 15.00 H new ATOM 0 HE1 PHE A 7 0.721 0.004 -8.385 1.00 15.00 H new ATOM 0 HE2 PHE A 7 4.094 2.463 -7.375 1.00 15.00 H new ATOM 0 HZ PHE A 7 2.877 1.054 -9.013 1.00 15.00 H new ATOM 144 N GLN A 8 0.784 1.060 -1.174 1.00 15.00 N ATOM 145 CA GLN A 8 1.366 0.831 0.180 1.00 15.00 C ATOM 146 C GLN A 8 1.193 -0.642 0.543 1.00 15.00 C ATOM 147 O GLN A 8 2.037 -1.248 1.165 1.00 15.00 O ATOM 148 CB GLN A 8 0.543 1.721 1.112 1.00 15.00 C ATOM 149 CG GLN A 8 0.823 3.195 0.794 1.00 15.00 C ATOM 150 CD GLN A 8 0.441 4.067 1.996 1.00 15.00 C ATOM 151 OE1 GLN A 8 1.028 5.110 2.212 1.00 15.00 O ATOM 152 NE2 GLN A 8 -0.520 3.685 2.794 1.00 15.00 N ATOM 0 H GLN A 8 0.209 1.898 -1.256 1.00 15.00 H new ATOM 0 HA GLN A 8 2.429 1.065 0.242 1.00 15.00 H new ATOM 0 HB2 GLN A 8 -0.519 1.508 0.991 1.00 15.00 H new ATOM 0 HB3 GLN A 8 0.795 1.508 2.151 1.00 15.00 H new ATOM 0 HG2 GLN A 8 1.878 3.331 0.555 1.00 15.00 H new ATOM 0 HG3 GLN A 8 0.255 3.501 -0.084 1.00 15.00 H new ATOM 0 HE21 GLN A 8 -1.014 2.811 2.615 1.00 15.00 H new ATOM 0 HE22 GLN A 8 -0.776 4.261 3.596 1.00 15.00 H new ATOM 161 N ASN A 9 0.122 -1.236 0.088 1.00 15.00 N ATOM 162 CA ASN A 9 -0.108 -2.687 0.343 1.00 15.00 C ATOM 163 C ASN A 9 1.058 -3.489 -0.246 1.00 15.00 C ATOM 164 O ASN A 9 1.193 -4.675 -0.019 1.00 15.00 O ATOM 165 CB ASN A 9 -1.408 -3.014 -0.396 1.00 15.00 C ATOM 166 CG ASN A 9 -1.780 -4.478 -0.151 1.00 15.00 C ATOM 167 OD1 ASN A 9 -1.115 -5.374 -0.632 1.00 15.00 O ATOM 168 ND2 ASN A 9 -2.824 -4.759 0.579 1.00 15.00 N ATOM 0 H ASN A 9 -0.609 -0.774 -0.453 1.00 15.00 H new ATOM 0 HA ASN A 9 -0.175 -2.928 1.404 1.00 15.00 H new ATOM 0 HB2 ASN A 9 -2.209 -2.361 -0.050 1.00 15.00 H new ATOM 0 HB3 ASN A 9 -1.287 -2.832 -1.464 1.00 15.00 H new ATOM 0 HD21 ASN A 9 -3.083 -5.731 0.746 1.00 15.00 H new ATOM 0 HD22 ASN A 9 -3.382 -4.006 0.982 1.00 15.00 H new ATOM 175 N ARG A 10 1.894 -2.836 -1.009 1.00 15.00 N ATOM 176 CA ARG A 10 3.055 -3.522 -1.639 1.00 15.00 C ATOM 177 C ARG A 10 4.345 -2.742 -1.362 1.00 15.00 C ATOM 178 O ARG A 10 5.411 -3.103 -1.820 1.00 15.00 O ATOM 179 CB ARG A 10 2.758 -3.502 -3.132 1.00 15.00 C ATOM 180 CG ARG A 10 1.350 -4.033 -3.377 1.00 15.00 C ATOM 181 CD ARG A 10 1.306 -5.539 -3.087 1.00 15.00 C ATOM 182 NE ARG A 10 2.314 -6.165 -3.986 1.00 15.00 N ATOM 183 CZ ARG A 10 2.455 -5.761 -5.222 1.00 15.00 C ATOM 184 NH1 ARG A 10 1.406 -5.597 -5.981 1.00 15.00 N ATOM 185 NH2 ARG A 10 3.647 -5.522 -5.698 1.00 15.00 N ATOM 0 H ARG A 10 1.818 -1.842 -1.224 1.00 15.00 H new ATOM 0 HA ARG A 10 3.192 -4.532 -1.252 1.00 15.00 H new ATOM 0 HB2 ARG A 10 2.848 -2.487 -3.518 1.00 15.00 H new ATOM 0 HB3 ARG A 10 3.486 -4.112 -3.667 1.00 15.00 H new ATOM 0 HG2 ARG A 10 0.638 -3.509 -2.739 1.00 15.00 H new ATOM 0 HG3 ARG A 10 1.054 -3.843 -4.409 1.00 15.00 H new ATOM 0 HD2 ARG A 10 1.538 -5.741 -2.041 1.00 15.00 H new ATOM 0 HD3 ARG A 10 0.311 -5.943 -3.276 1.00 15.00 H new ATOM 0 HE ARG A 10 2.903 -6.919 -3.633 1.00 15.00 H new ATOM 0 HH11 ARG A 10 0.474 -5.784 -5.611 1.00 15.00 H new ATOM 0 HH12 ARG A 10 1.518 -5.282 -6.945 1.00 15.00 H new ATOM 0 HH21 ARG A 10 4.468 -5.650 -5.106 1.00 15.00 H new ATOM 0 HH22 ARG A 10 3.758 -5.207 -6.662 1.00 15.00 H new ATOM 199 N ARG A 11 4.248 -1.663 -0.632 1.00 15.00 N ATOM 200 CA ARG A 11 5.444 -0.836 -0.335 1.00 15.00 C ATOM 201 C ARG A 11 5.715 -0.896 1.147 1.00 15.00 C ATOM 202 O ARG A 11 6.803 -1.198 1.583 1.00 15.00 O ATOM 203 CB ARG A 11 5.051 0.595 -0.725 1.00 15.00 C ATOM 204 CG ARG A 11 4.054 0.572 -1.869 1.00 15.00 C ATOM 205 CD ARG A 11 4.557 1.457 -3.005 1.00 15.00 C ATOM 206 NE ARG A 11 4.680 2.806 -2.406 1.00 15.00 N ATOM 207 CZ ARG A 11 4.196 3.847 -3.024 1.00 15.00 C ATOM 208 NH1 ARG A 11 2.955 4.205 -2.830 1.00 15.00 N ATOM 209 NH2 ARG A 11 4.951 4.532 -3.840 1.00 15.00 N ATOM 0 H ARG A 11 3.378 -1.319 -0.226 1.00 15.00 H new ATOM 0 HA ARG A 11 6.333 -1.174 -0.868 1.00 15.00 H new ATOM 0 HB2 ARG A 11 4.618 1.108 0.134 1.00 15.00 H new ATOM 0 HB3 ARG A 11 5.938 1.157 -1.018 1.00 15.00 H new ATOM 0 HG2 ARG A 11 3.916 -0.449 -2.224 1.00 15.00 H new ATOM 0 HG3 ARG A 11 3.082 0.923 -1.524 1.00 15.00 H new ATOM 0 HD2 ARG A 11 5.515 1.105 -3.387 1.00 15.00 H new ATOM 0 HD3 ARG A 11 3.861 1.458 -3.844 1.00 15.00 H new ATOM 0 HE ARG A 11 5.146 2.921 -1.506 1.00 15.00 H new ATOM 0 HH11 ARG A 11 2.363 3.670 -2.194 1.00 15.00 H new ATOM 0 HH12 ARG A 11 2.578 5.020 -3.314 1.00 15.00 H new ATOM 0 HH21 ARG A 11 5.920 4.253 -3.994 1.00 15.00 H new ATOM 0 HH22 ARG A 11 4.572 5.346 -4.323 1.00 15.00 H new ATOM 223 N MET A 12 4.712 -0.628 1.922 1.00 15.00 N ATOM 224 CA MET A 12 4.899 -0.684 3.403 1.00 15.00 C ATOM 225 C MET A 12 4.735 -2.122 3.870 1.00 15.00 C ATOM 226 O MET A 12 5.439 -2.584 4.744 1.00 15.00 O ATOM 227 CB MET A 12 3.852 0.229 4.036 1.00 15.00 C ATOM 228 CG MET A 12 2.516 0.039 3.365 1.00 15.00 C ATOM 229 SD MET A 12 1.195 0.579 4.481 1.00 15.00 S ATOM 230 CE MET A 12 1.722 2.303 4.639 1.00 15.00 C ATOM 0 H MET A 12 3.776 -0.374 1.606 1.00 15.00 H new ATOM 0 HA MET A 12 5.894 -0.348 3.695 1.00 15.00 H new ATOM 0 HB2 MET A 12 3.766 0.011 5.101 1.00 15.00 H new ATOM 0 HB3 MET A 12 4.166 1.269 3.948 1.00 15.00 H new ATOM 0 HG2 MET A 12 2.479 0.610 2.437 1.00 15.00 H new ATOM 0 HG3 MET A 12 2.376 -1.009 3.100 1.00 15.00 H new ATOM 0 HE1 MET A 12 0.864 2.924 4.897 1.00 15.00 H new ATOM 0 HE2 MET A 12 2.476 2.383 5.422 1.00 15.00 H new ATOM 0 HE3 MET A 12 2.144 2.642 3.693 1.00 15.00 H new ATOM 240 N LYS A 13 3.847 -2.849 3.253 1.00 15.00 N ATOM 241 CA LYS A 13 3.682 -4.279 3.619 1.00 15.00 C ATOM 242 C LYS A 13 4.888 -5.037 3.071 1.00 15.00 C ATOM 243 O LYS A 13 5.162 -6.166 3.428 1.00 15.00 O ATOM 244 CB LYS A 13 2.405 -4.737 2.924 1.00 15.00 C ATOM 245 CG LYS A 13 1.280 -3.700 3.069 1.00 15.00 C ATOM 246 CD LYS A 13 1.256 -3.062 4.467 1.00 15.00 C ATOM 247 CE LYS A 13 0.302 -3.845 5.375 1.00 15.00 C ATOM 248 NZ LYS A 13 0.851 -5.231 5.420 1.00 15.00 N ATOM 0 H LYS A 13 3.230 -2.514 2.513 1.00 15.00 H new ATOM 0 HA LYS A 13 3.618 -4.447 4.694 1.00 15.00 H new ATOM 0 HB2 LYS A 13 2.607 -4.910 1.867 1.00 15.00 H new ATOM 0 HB3 LYS A 13 2.081 -5.688 3.347 1.00 15.00 H new ATOM 0 HG2 LYS A 13 1.407 -2.921 2.318 1.00 15.00 H new ATOM 0 HG3 LYS A 13 0.320 -4.178 2.873 1.00 15.00 H new ATOM 0 HD2 LYS A 13 2.259 -3.059 4.893 1.00 15.00 H new ATOM 0 HD3 LYS A 13 0.936 -2.022 4.398 1.00 15.00 H new ATOM 0 HE2 LYS A 13 0.259 -3.406 6.372 1.00 15.00 H new ATOM 0 HE3 LYS A 13 -0.714 -3.837 4.979 1.00 15.00 H new ATOM 0 HZ1 LYS A 13 0.504 -5.714 6.273 1.00 15.00 H new ATOM 0 HZ2 LYS A 13 0.542 -5.754 4.576 1.00 15.00 H new ATOM 0 HZ3 LYS A 13 1.890 -5.192 5.442 1.00 15.00 H new ATOM 262 N PHE A 14 5.616 -4.386 2.203 1.00 15.00 N ATOM 263 CA PHE A 14 6.825 -4.984 1.598 1.00 15.00 C ATOM 264 C PHE A 14 7.974 -4.909 2.600 1.00 15.00 C ATOM 265 O PHE A 14 8.978 -5.579 2.467 1.00 15.00 O ATOM 266 CB PHE A 14 7.095 -4.094 0.385 1.00 15.00 C ATOM 267 CG PHE A 14 7.300 -4.951 -0.841 1.00 15.00 C ATOM 268 CD1 PHE A 14 6.325 -5.885 -1.214 1.00 15.00 C ATOM 269 CD2 PHE A 14 8.466 -4.815 -1.604 1.00 15.00 C ATOM 270 CE1 PHE A 14 6.516 -6.682 -2.349 1.00 15.00 C ATOM 271 CE2 PHE A 14 8.657 -5.611 -2.740 1.00 15.00 C ATOM 272 CZ PHE A 14 7.682 -6.544 -3.112 1.00 15.00 C ATOM 0 H PHE A 14 5.411 -3.439 1.885 1.00 15.00 H new ATOM 0 HA PHE A 14 6.712 -6.033 1.323 1.00 15.00 H new ATOM 0 HB2 PHE A 14 6.258 -3.413 0.228 1.00 15.00 H new ATOM 0 HB3 PHE A 14 7.978 -3.479 0.562 1.00 15.00 H new ATOM 0 HD1 PHE A 14 5.425 -5.990 -0.626 1.00 15.00 H new ATOM 0 HD2 PHE A 14 9.219 -4.096 -1.316 1.00 15.00 H new ATOM 0 HE1 PHE A 14 5.765 -7.403 -2.636 1.00 15.00 H new ATOM 0 HE2 PHE A 14 9.556 -5.505 -3.329 1.00 15.00 H new ATOM 0 HZ PHE A 14 7.829 -7.158 -3.988 1.00 15.00 H new ATOM 282 N LYS A 15 7.817 -4.100 3.613 1.00 15.00 N ATOM 283 CA LYS A 15 8.882 -3.977 4.646 1.00 15.00 C ATOM 284 C LYS A 15 8.242 -3.865 6.027 1.00 15.00 C ATOM 285 O LYS A 15 8.897 -3.578 7.010 1.00 15.00 O ATOM 286 CB LYS A 15 9.647 -2.695 4.306 1.00 15.00 C ATOM 287 CG LYS A 15 8.672 -1.544 4.039 1.00 15.00 C ATOM 288 CD LYS A 15 9.050 -0.852 2.730 1.00 15.00 C ATOM 289 CE LYS A 15 10.475 -0.297 2.827 1.00 15.00 C ATOM 290 NZ LYS A 15 10.398 1.063 2.224 1.00 15.00 N ATOM 0 H LYS A 15 6.994 -3.518 3.769 1.00 15.00 H new ATOM 0 HA LYS A 15 9.545 -4.842 4.658 1.00 15.00 H new ATOM 0 HB2 LYS A 15 10.312 -2.432 5.128 1.00 15.00 H new ATOM 0 HB3 LYS A 15 10.273 -2.860 3.429 1.00 15.00 H new ATOM 0 HG2 LYS A 15 7.652 -1.923 3.981 1.00 15.00 H new ATOM 0 HG3 LYS A 15 8.701 -0.830 4.862 1.00 15.00 H new ATOM 0 HD2 LYS A 15 8.981 -1.558 1.902 1.00 15.00 H new ATOM 0 HD3 LYS A 15 8.349 -0.044 2.520 1.00 15.00 H new ATOM 0 HE2 LYS A 15 10.812 -0.252 3.863 1.00 15.00 H new ATOM 0 HE3 LYS A 15 11.182 -0.928 2.289 1.00 15.00 H new ATOM 0 HZ1 LYS A 15 11.337 1.509 2.253 1.00 15.00 H new ATOM 0 HZ2 LYS A 15 10.081 0.987 1.236 1.00 15.00 H new ATOM 0 HZ3 LYS A 15 9.722 1.643 2.761 1.00 15.00 H new ATOM 304 N LYS A 16 6.959 -4.080 6.099 1.00 15.00 N ATOM 305 CA LYS A 16 6.243 -3.982 7.386 1.00 15.00 C ATOM 306 C LYS A 16 6.915 -4.848 8.456 1.00 15.00 C ATOM 307 O LYS A 16 6.523 -4.744 9.607 1.00 15.00 O ATOM 308 CB LYS A 16 4.823 -4.454 7.057 1.00 15.00 C ATOM 309 CG LYS A 16 4.847 -5.885 6.510 1.00 15.00 C ATOM 310 CD LYS A 16 5.243 -6.848 7.624 1.00 15.00 C ATOM 311 CE LYS A 16 4.356 -8.096 7.576 1.00 15.00 C ATOM 312 NZ LYS A 16 5.307 -9.241 7.503 1.00 15.00 N ATOM 313 OXT LYS A 16 7.808 -5.602 8.105 1.00 15.00 O ATOM 0 H LYS A 16 6.372 -4.324 5.302 1.00 15.00 H new ATOM 0 HA LYS A 16 6.246 -2.975 7.802 1.00 15.00 H new ATOM 0 HB2 LYS A 16 4.202 -4.411 7.952 1.00 15.00 H new ATOM 0 HB3 LYS A 16 4.372 -3.785 6.324 1.00 15.00 H new ATOM 0 HG2 LYS A 16 3.866 -6.152 6.116 1.00 15.00 H new ATOM 0 HG3 LYS A 16 5.554 -5.958 5.683 1.00 15.00 H new ATOM 0 HD2 LYS A 16 6.290 -7.131 7.516 1.00 15.00 H new ATOM 0 HD3 LYS A 16 5.143 -6.358 8.592 1.00 15.00 H new ATOM 0 HE2 LYS A 16 3.723 -8.165 8.460 1.00 15.00 H new ATOM 0 HE3 LYS A 16 3.694 -8.077 6.710 1.00 15.00 H new ATOM 0 HZ1 LYS A 16 4.774 -10.133 7.467 1.00 15.00 H new ATOM 0 HZ2 LYS A 16 5.892 -9.152 6.648 1.00 15.00 H new ATOM 0 HZ3 LYS A 16 5.920 -9.237 8.343 1.00 15.00 H new