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 Set 1.1: A 8 GLN : amide:sc= -2.44! C(o=-3.4!,f=-6.6!) USER MOD Set 1.2: A 12 MET CE :methyl 146:sc= -0.943 (180deg=-1.66!) USER MOD Single : A 4 LYS NZ :NH3+ -104:sc= 0 (180deg=-0.143) USER MOD Single : A 9 ASN : amide:sc= -0.497 X(o=-0.5,f=-0.045) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 LYS NZ :NH3+ -141:sc= -0.128 (180deg=-1.09) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 63 N LYS A 4 -2.979 4.915 -2.602 1.00 15.00 N ATOM 64 CA LYS A 4 -1.669 4.392 -2.147 1.00 15.00 C ATOM 65 C LYS A 4 -1.884 3.096 -1.389 1.00 15.00 C ATOM 66 O LYS A 4 -1.083 2.197 -1.448 1.00 15.00 O ATOM 67 CB LYS A 4 -1.109 5.473 -1.223 1.00 15.00 C ATOM 68 CG LYS A 4 -0.346 6.489 -2.053 1.00 15.00 C ATOM 69 CD LYS A 4 -1.315 7.167 -3.003 1.00 15.00 C ATOM 70 CE LYS A 4 -0.688 8.454 -3.548 1.00 15.00 C ATOM 71 NZ LYS A 4 -0.920 9.473 -2.487 1.00 15.00 N ATOM 0 HA LYS A 4 -0.988 4.179 -2.971 1.00 15.00 H new ATOM 0 HB2 LYS A 4 -1.919 5.962 -0.682 1.00 15.00 H new ATOM 0 HB3 LYS A 4 -0.451 5.027 -0.477 1.00 15.00 H new ATOM 0 HG2 LYS A 4 0.127 7.227 -1.405 1.00 15.00 H new ATOM 0 HG3 LYS A 4 0.451 5.998 -2.612 1.00 15.00 H new ATOM 0 HD2 LYS A 4 -1.563 6.496 -3.825 1.00 15.00 H new ATOM 0 HD3 LYS A 4 -2.247 7.396 -2.486 1.00 15.00 H new ATOM 0 HE2 LYS A 4 0.376 8.323 -3.744 1.00 15.00 H new ATOM 0 HE3 LYS A 4 -1.151 8.751 -4.489 1.00 15.00 H new ATOM 0 HZ1 LYS A 4 -1.693 10.106 -2.777 1.00 15.00 H new ATOM 0 HZ2 LYS A 4 -1.177 8.997 -1.599 1.00 15.00 H new ATOM 0 HZ3 LYS A 4 -0.053 10.029 -2.344 1.00 15.00 H new ATOM 85 N ILE A 5 -2.979 2.985 -0.700 1.00 15.00 N ATOM 86 CA ILE A 5 -3.272 1.737 0.042 1.00 15.00 C ATOM 87 C ILE A 5 -3.134 0.578 -0.926 1.00 15.00 C ATOM 88 O ILE A 5 -2.725 -0.510 -0.577 1.00 15.00 O ATOM 89 CB ILE A 5 -4.713 1.909 0.499 1.00 15.00 C ATOM 90 CG1 ILE A 5 -4.757 2.853 1.703 1.00 15.00 C ATOM 91 CG2 ILE A 5 -5.299 0.552 0.904 1.00 15.00 C ATOM 92 CD1 ILE A 5 -3.613 3.880 1.653 1.00 15.00 C ATOM 0 H ILE A 5 -3.689 3.713 -0.619 1.00 15.00 H new ATOM 0 HA ILE A 5 -2.610 1.545 0.886 1.00 15.00 H new ATOM 0 HB ILE A 5 -5.298 2.326 -0.321 1.00 15.00 H new ATOM 0 HG12 ILE A 5 -5.714 3.373 1.724 1.00 15.00 H new ATOM 0 HG13 ILE A 5 -4.688 2.274 2.624 1.00 15.00 H new ATOM 0 HG21 ILE A 5 -6.331 0.684 1.230 1.00 15.00 H new ATOM 0 HG22 ILE A 5 -5.272 -0.125 0.050 1.00 15.00 H new ATOM 0 HG23 ILE A 5 -4.712 0.131 1.720 1.00 15.00 H new ATOM 0 HD11 ILE A 5 -3.674 4.535 2.522 1.00 15.00 H new ATOM 0 HD12 ILE A 5 -2.656 3.359 1.657 1.00 15.00 H new ATOM 0 HD13 ILE A 5 -3.698 4.475 0.744 1.00 15.00 H new ATOM 104 N PHE A 6 -3.446 0.840 -2.163 1.00 15.00 N ATOM 105 CA PHE A 6 -3.304 -0.218 -3.200 1.00 15.00 C ATOM 106 C PHE A 6 -1.813 -0.457 -3.419 1.00 15.00 C ATOM 107 O PHE A 6 -1.361 -1.574 -3.588 1.00 15.00 O ATOM 108 CB PHE A 6 -3.960 0.345 -4.460 1.00 15.00 C ATOM 109 CG PHE A 6 -4.265 -0.785 -5.416 1.00 15.00 C ATOM 110 CD1 PHE A 6 -3.242 -1.338 -6.197 1.00 15.00 C ATOM 111 CD2 PHE A 6 -5.571 -1.281 -5.520 1.00 15.00 C ATOM 112 CE1 PHE A 6 -3.525 -2.384 -7.083 1.00 15.00 C ATOM 113 CE2 PHE A 6 -5.853 -2.328 -6.407 1.00 15.00 C ATOM 114 CZ PHE A 6 -4.830 -2.879 -7.188 1.00 15.00 C ATOM 0 H PHE A 6 -3.792 1.738 -2.501 1.00 15.00 H new ATOM 0 HA PHE A 6 -3.768 -1.164 -2.922 1.00 15.00 H new ATOM 0 HB2 PHE A 6 -4.877 0.874 -4.200 1.00 15.00 H new ATOM 0 HB3 PHE A 6 -3.298 1.069 -4.935 1.00 15.00 H new ATOM 0 HD1 PHE A 6 -2.235 -0.957 -6.115 1.00 15.00 H new ATOM 0 HD2 PHE A 6 -6.360 -0.857 -4.917 1.00 15.00 H new ATOM 0 HE1 PHE A 6 -2.736 -2.809 -7.686 1.00 15.00 H new ATOM 0 HE2 PHE A 6 -6.860 -2.710 -6.488 1.00 15.00 H new ATOM 0 HZ PHE A 6 -5.048 -3.686 -7.872 1.00 15.00 H new ATOM 124 N PHE A 7 -1.048 0.599 -3.380 1.00 15.00 N ATOM 125 CA PHE A 7 0.427 0.476 -3.545 1.00 15.00 C ATOM 126 C PHE A 7 1.058 0.207 -2.185 1.00 15.00 C ATOM 127 O PHE A 7 1.778 -0.751 -2.015 1.00 15.00 O ATOM 128 CB PHE A 7 0.879 1.829 -4.097 1.00 15.00 C ATOM 129 CG PHE A 7 1.459 1.645 -5.480 1.00 15.00 C ATOM 130 CD1 PHE A 7 2.530 0.767 -5.679 1.00 15.00 C ATOM 131 CD2 PHE A 7 0.922 2.351 -6.563 1.00 15.00 C ATOM 132 CE1 PHE A 7 3.066 0.594 -6.960 1.00 15.00 C ATOM 133 CE2 PHE A 7 1.458 2.179 -7.846 1.00 15.00 C ATOM 134 CZ PHE A 7 2.531 1.301 -8.044 1.00 15.00 C ATOM 0 H PHE A 7 -1.386 1.551 -3.239 1.00 15.00 H new ATOM 0 HA PHE A 7 0.716 -0.339 -4.208 1.00 15.00 H new ATOM 0 HB2 PHE A 7 0.035 2.518 -4.134 1.00 15.00 H new ATOM 0 HB3 PHE A 7 1.623 2.272 -3.436 1.00 15.00 H new ATOM 0 HD1 PHE A 7 2.943 0.222 -4.843 1.00 15.00 H new ATOM 0 HD2 PHE A 7 0.095 3.028 -6.410 1.00 15.00 H new ATOM 0 HE1 PHE A 7 3.892 -0.085 -7.113 1.00 15.00 H new ATOM 0 HE2 PHE A 7 1.044 2.723 -8.682 1.00 15.00 H new ATOM 0 HZ PHE A 7 2.946 1.169 -9.032 1.00 15.00 H new ATOM 144 N GLN A 8 0.777 1.036 -1.210 1.00 15.00 N ATOM 145 CA GLN A 8 1.329 0.822 0.159 1.00 15.00 C ATOM 146 C GLN A 8 1.203 -0.655 0.518 1.00 15.00 C ATOM 147 O GLN A 8 2.058 -1.231 1.153 1.00 15.00 O ATOM 148 CB GLN A 8 0.453 1.679 1.070 1.00 15.00 C ATOM 149 CG GLN A 8 0.677 3.157 0.745 1.00 15.00 C ATOM 150 CD GLN A 8 0.221 4.014 1.927 1.00 15.00 C ATOM 151 OE1 GLN A 8 -0.778 3.723 2.554 1.00 15.00 O ATOM 152 NE2 GLN A 8 0.918 5.063 2.263 1.00 15.00 N ATOM 0 H GLN A 8 0.183 1.859 -1.308 1.00 15.00 H new ATOM 0 HA GLN A 8 2.381 1.092 0.247 1.00 15.00 H new ATOM 0 HB2 GLN A 8 -0.597 1.420 0.933 1.00 15.00 H new ATOM 0 HB3 GLN A 8 0.695 1.484 2.115 1.00 15.00 H new ATOM 0 HG2 GLN A 8 1.731 3.339 0.536 1.00 15.00 H new ATOM 0 HG3 GLN A 8 0.122 3.431 -0.152 1.00 15.00 H new ATOM 0 HE21 GLN A 8 1.757 5.308 1.737 1.00 15.00 H new ATOM 0 HE22 GLN A 8 0.625 5.639 3.052 1.00 15.00 H new ATOM 161 N ASN A 9 0.159 -1.285 0.052 1.00 15.00 N ATOM 162 CA ASN A 9 -0.021 -2.743 0.309 1.00 15.00 C ATOM 163 C ASN A 9 1.184 -3.504 -0.251 1.00 15.00 C ATOM 164 O ASN A 9 1.365 -4.681 -0.006 1.00 15.00 O ATOM 165 CB ASN A 9 -1.293 -3.122 -0.450 1.00 15.00 C ATOM 166 CG ASN A 9 -1.621 -4.594 -0.192 1.00 15.00 C ATOM 167 OD1 ASN A 9 -1.884 -4.982 0.929 1.00 15.00 O ATOM 168 ND2 ASN A 9 -1.617 -5.435 -1.188 1.00 15.00 N ATOM 0 H ASN A 9 -0.581 -0.850 -0.499 1.00 15.00 H new ATOM 0 HA ASN A 9 -0.099 -2.982 1.370 1.00 15.00 H new ATOM 0 HB2 ASN A 9 -2.122 -2.492 -0.129 1.00 15.00 H new ATOM 0 HB3 ASN A 9 -1.157 -2.950 -1.518 1.00 15.00 H new ATOM 0 HD21 ASN A 9 -1.835 -6.418 -1.026 1.00 15.00 H new ATOM 0 HD22 ASN A 9 -1.396 -5.110 -2.129 1.00 15.00 H new ATOM 175 N ARG A 10 2.005 -2.827 -1.010 1.00 15.00 N ATOM 176 CA ARG A 10 3.201 -3.473 -1.610 1.00 15.00 C ATOM 177 C ARG A 10 4.462 -2.655 -1.296 1.00 15.00 C ATOM 178 O ARG A 10 5.548 -2.981 -1.732 1.00 15.00 O ATOM 179 CB ARG A 10 2.940 -3.457 -3.110 1.00 15.00 C ATOM 180 CG ARG A 10 1.554 -4.026 -3.390 1.00 15.00 C ATOM 181 CD ARG A 10 1.542 -5.530 -3.082 1.00 15.00 C ATOM 182 NE ARG A 10 0.226 -6.038 -3.545 1.00 15.00 N ATOM 183 CZ ARG A 10 -0.220 -5.749 -4.740 1.00 15.00 C ATOM 184 NH1 ARG A 10 0.456 -6.115 -5.795 1.00 15.00 N ATOM 185 NH2 ARG A 10 -1.340 -5.094 -4.878 1.00 15.00 N ATOM 0 H ARG A 10 1.893 -1.840 -1.241 1.00 15.00 H new ATOM 0 HA ARG A 10 3.361 -4.479 -1.222 1.00 15.00 H new ATOM 0 HB2 ARG A 10 3.011 -2.438 -3.491 1.00 15.00 H new ATOM 0 HB3 ARG A 10 3.698 -4.045 -3.628 1.00 15.00 H new ATOM 0 HG2 ARG A 10 0.810 -3.514 -2.780 1.00 15.00 H new ATOM 0 HG3 ARG A 10 1.284 -3.856 -4.432 1.00 15.00 H new ATOM 0 HD2 ARG A 10 2.358 -6.039 -3.595 1.00 15.00 H new ATOM 0 HD3 ARG A 10 1.675 -5.710 -2.015 1.00 15.00 H new ATOM 0 HE ARG A 10 -0.337 -6.619 -2.924 1.00 15.00 H new ATOM 0 HH11 ARG A 10 1.332 -6.626 -5.687 1.00 15.00 H new ATOM 0 HH12 ARG A 10 0.108 -5.890 -6.727 1.00 15.00 H new ATOM 0 HH21 ARG A 10 -1.868 -4.807 -4.054 1.00 15.00 H new ATOM 0 HH22 ARG A 10 -1.688 -4.869 -5.810 1.00 15.00 H new ATOM 199 N ARG A 11 4.315 -1.580 -0.563 1.00 15.00 N ATOM 200 CA ARG A 11 5.480 -0.715 -0.233 1.00 15.00 C ATOM 201 C ARG A 11 5.716 -0.765 1.260 1.00 15.00 C ATOM 202 O ARG A 11 6.820 -0.960 1.731 1.00 15.00 O ATOM 203 CB ARG A 11 5.052 0.701 -0.636 1.00 15.00 C ATOM 204 CG ARG A 11 4.087 0.647 -1.808 1.00 15.00 C ATOM 205 CD ARG A 11 4.595 1.544 -2.933 1.00 15.00 C ATOM 206 NE ARG A 11 4.690 2.895 -2.329 1.00 15.00 N ATOM 207 CZ ARG A 11 4.220 3.934 -2.964 1.00 15.00 C ATOM 208 NH1 ARG A 11 4.598 4.175 -4.189 1.00 15.00 N ATOM 209 NH2 ARG A 11 3.370 4.731 -2.376 1.00 15.00 N ATOM 0 H ARG A 11 3.425 -1.264 -0.176 1.00 15.00 H new ATOM 0 HA ARG A 11 6.393 -1.027 -0.740 1.00 15.00 H new ATOM 0 HB2 ARG A 11 4.580 1.200 0.210 1.00 15.00 H new ATOM 0 HB3 ARG A 11 5.929 1.290 -0.905 1.00 15.00 H new ATOM 0 HG2 ARG A 11 3.989 -0.379 -2.164 1.00 15.00 H new ATOM 0 HG3 ARG A 11 3.096 0.971 -1.491 1.00 15.00 H new ATOM 0 HD2 ARG A 11 5.564 1.206 -3.301 1.00 15.00 H new ATOM 0 HD3 ARG A 11 3.912 1.538 -3.782 1.00 15.00 H new ATOM 0 HE ARG A 11 5.124 3.013 -1.414 1.00 15.00 H new ATOM 0 HH11 ARG A 11 5.261 3.552 -4.650 1.00 15.00 H new ATOM 0 HH12 ARG A 11 4.231 4.987 -4.686 1.00 15.00 H new ATOM 0 HH21 ARG A 11 3.072 4.542 -1.419 1.00 15.00 H new ATOM 0 HH22 ARG A 11 3.004 5.543 -2.874 1.00 15.00 H new ATOM 223 N MET A 12 4.667 -0.607 2.006 1.00 15.00 N ATOM 224 CA MET A 12 4.814 -0.664 3.489 1.00 15.00 C ATOM 225 C MET A 12 4.649 -2.103 3.946 1.00 15.00 C ATOM 226 O MET A 12 5.291 -2.547 4.875 1.00 15.00 O ATOM 227 CB MET A 12 3.743 0.235 4.099 1.00 15.00 C ATOM 228 CG MET A 12 2.431 0.048 3.376 1.00 15.00 C ATOM 229 SD MET A 12 1.070 0.566 4.452 1.00 15.00 S ATOM 230 CE MET A 12 1.440 2.338 4.447 1.00 15.00 C ATOM 0 H MET A 12 3.721 -0.442 1.663 1.00 15.00 H new ATOM 0 HA MET A 12 5.798 -0.318 3.807 1.00 15.00 H new ATOM 0 HB2 MET A 12 3.620 0.001 5.156 1.00 15.00 H new ATOM 0 HB3 MET A 12 4.055 1.278 4.038 1.00 15.00 H new ATOM 0 HG2 MET A 12 2.424 0.632 2.456 1.00 15.00 H new ATOM 0 HG3 MET A 12 2.306 -0.997 3.091 1.00 15.00 H new ATOM 0 HE1 MET A 12 0.510 2.904 4.497 1.00 15.00 H new ATOM 0 HE2 MET A 12 2.060 2.583 5.309 1.00 15.00 H new ATOM 0 HE3 MET A 12 1.973 2.596 3.532 1.00 15.00 H new ATOM 240 N LYS A 13 3.833 -2.849 3.266 1.00 15.00 N ATOM 241 CA LYS A 13 3.679 -4.277 3.624 1.00 15.00 C ATOM 242 C LYS A 13 4.869 -5.031 3.039 1.00 15.00 C ATOM 243 O LYS A 13 5.087 -6.198 3.301 1.00 15.00 O ATOM 244 CB LYS A 13 2.388 -4.733 2.958 1.00 15.00 C ATOM 245 CG LYS A 13 1.294 -3.666 3.073 1.00 15.00 C ATOM 246 CD LYS A 13 1.231 -3.060 4.481 1.00 15.00 C ATOM 247 CE LYS A 13 0.357 -3.941 5.376 1.00 15.00 C ATOM 248 NZ LYS A 13 1.093 -4.031 6.666 1.00 15.00 N ATOM 0 H LYS A 13 3.267 -2.532 2.479 1.00 15.00 H new ATOM 0 HA LYS A 13 3.642 -4.450 4.700 1.00 15.00 H new ATOM 0 HB2 LYS A 13 2.576 -4.952 1.907 1.00 15.00 H new ATOM 0 HB3 LYS A 13 2.046 -5.659 3.420 1.00 15.00 H new ATOM 0 HG2 LYS A 13 1.480 -2.876 2.346 1.00 15.00 H new ATOM 0 HG3 LYS A 13 0.329 -4.107 2.824 1.00 15.00 H new ATOM 0 HD2 LYS A 13 2.234 -2.980 4.899 1.00 15.00 H new ATOM 0 HD3 LYS A 13 0.823 -2.050 4.436 1.00 15.00 H new ATOM 0 HE2 LYS A 13 -0.632 -3.504 5.516 1.00 15.00 H new ATOM 0 HE3 LYS A 13 0.210 -4.927 4.936 1.00 15.00 H new ATOM 0 HZ1 LYS A 13 0.555 -4.621 7.332 1.00 15.00 H new ATOM 0 HZ2 LYS A 13 2.028 -4.457 6.503 1.00 15.00 H new ATOM 0 HZ3 LYS A 13 1.212 -3.078 7.065 1.00 15.00 H new ATOM 262 N PHE A 14 5.641 -4.344 2.241 1.00 15.00 N ATOM 263 CA PHE A 14 6.831 -4.951 1.608 1.00 15.00 C ATOM 264 C PHE A 14 7.976 -4.987 2.607 1.00 15.00 C ATOM 265 O PHE A 14 8.926 -5.733 2.458 1.00 15.00 O ATOM 266 CB PHE A 14 7.148 -4.008 0.447 1.00 15.00 C ATOM 267 CG PHE A 14 7.421 -4.814 -0.801 1.00 15.00 C ATOM 268 CD1 PHE A 14 6.397 -5.571 -1.383 1.00 15.00 C ATOM 269 CD2 PHE A 14 8.699 -4.805 -1.376 1.00 15.00 C ATOM 270 CE1 PHE A 14 6.651 -6.320 -2.538 1.00 15.00 C ATOM 271 CE2 PHE A 14 8.952 -5.553 -2.531 1.00 15.00 C ATOM 272 CZ PHE A 14 7.927 -6.310 -3.112 1.00 15.00 C ATOM 0 H PHE A 14 5.487 -3.365 2.000 1.00 15.00 H new ATOM 0 HA PHE A 14 6.672 -5.977 1.275 1.00 15.00 H new ATOM 0 HB2 PHE A 14 6.312 -3.329 0.278 1.00 15.00 H new ATOM 0 HB3 PHE A 14 8.014 -3.393 0.691 1.00 15.00 H new ATOM 0 HD1 PHE A 14 5.412 -5.577 -0.941 1.00 15.00 H new ATOM 0 HD2 PHE A 14 9.489 -4.221 -0.927 1.00 15.00 H new ATOM 0 HE1 PHE A 14 5.862 -6.906 -2.986 1.00 15.00 H new ATOM 0 HE2 PHE A 14 9.937 -5.547 -2.974 1.00 15.00 H new ATOM 0 HZ PHE A 14 8.122 -6.887 -4.004 1.00 15.00 H new ATOM 282 N LYS A 15 7.891 -4.184 3.626 1.00 15.00 N ATOM 283 CA LYS A 15 8.969 -4.160 4.646 1.00 15.00 C ATOM 284 C LYS A 15 8.343 -4.063 6.036 1.00 15.00 C ATOM 285 O LYS A 15 9.016 -3.847 7.025 1.00 15.00 O ATOM 286 CB LYS A 15 9.799 -2.910 4.330 1.00 15.00 C ATOM 287 CG LYS A 15 8.942 -1.901 3.564 1.00 15.00 C ATOM 288 CD LYS A 15 7.895 -1.324 4.502 1.00 15.00 C ATOM 289 CE LYS A 15 7.943 0.208 4.450 1.00 15.00 C ATOM 290 NZ LYS A 15 9.300 0.576 4.947 1.00 15.00 N ATOM 0 H LYS A 15 7.118 -3.541 3.797 1.00 15.00 H new ATOM 0 HA LYS A 15 9.588 -5.057 4.629 1.00 15.00 H new ATOM 0 HB2 LYS A 15 10.166 -2.463 5.254 1.00 15.00 H new ATOM 0 HB3 LYS A 15 10.673 -3.182 3.738 1.00 15.00 H new ATOM 0 HG2 LYS A 15 9.568 -1.104 3.163 1.00 15.00 H new ATOM 0 HG3 LYS A 15 8.460 -2.385 2.715 1.00 15.00 H new ATOM 0 HD2 LYS A 15 6.904 -1.676 4.217 1.00 15.00 H new ATOM 0 HD3 LYS A 15 8.075 -1.669 5.520 1.00 15.00 H new ATOM 0 HE2 LYS A 15 7.784 0.572 3.435 1.00 15.00 H new ATOM 0 HE3 LYS A 15 7.164 0.647 5.073 1.00 15.00 H new ATOM 0 HZ1 LYS A 15 9.233 1.426 5.543 1.00 15.00 H new ATOM 0 HZ2 LYS A 15 9.690 -0.209 5.506 1.00 15.00 H new ATOM 0 HZ3 LYS A 15 9.925 0.769 4.139 1.00 15.00 H new ATOM 304 N LYS A 16 7.049 -4.216 6.104 1.00 15.00 N ATOM 305 CA LYS A 16 6.339 -4.133 7.395 1.00 15.00 C ATOM 306 C LYS A 16 6.959 -5.084 8.424 1.00 15.00 C ATOM 307 O LYS A 16 6.570 -5.011 9.579 1.00 15.00 O ATOM 308 CB LYS A 16 4.893 -4.510 7.052 1.00 15.00 C ATOM 309 CG LYS A 16 4.835 -5.905 6.422 1.00 15.00 C ATOM 310 CD LYS A 16 5.154 -6.955 7.478 1.00 15.00 C ATOM 311 CE LYS A 16 4.148 -8.105 7.388 1.00 15.00 C ATOM 312 NZ LYS A 16 4.957 -9.340 7.592 1.00 15.00 N ATOM 313 OXT LYS A 16 7.810 -5.869 8.040 1.00 15.00 O ATOM 0 H LYS A 16 6.450 -4.398 5.299 1.00 15.00 H new ATOM 0 HA LYS A 16 6.400 -3.145 7.852 1.00 15.00 H new ATOM 0 HB2 LYS A 16 4.282 -4.487 7.954 1.00 15.00 H new ATOM 0 HB3 LYS A 16 4.474 -3.776 6.364 1.00 15.00 H new ATOM 0 HG2 LYS A 16 3.845 -6.085 6.003 1.00 15.00 H new ATOM 0 HG3 LYS A 16 5.547 -5.974 5.599 1.00 15.00 H new ATOM 0 HD2 LYS A 16 6.166 -7.333 7.334 1.00 15.00 H new ATOM 0 HD3 LYS A 16 5.120 -6.507 8.471 1.00 15.00 H new ATOM 0 HE2 LYS A 16 3.372 -8.011 8.148 1.00 15.00 H new ATOM 0 HE3 LYS A 16 3.647 -8.117 6.420 1.00 15.00 H new ATOM 0 HZ1 LYS A 16 4.337 -10.173 7.544 1.00 15.00 H new ATOM 0 HZ2 LYS A 16 5.683 -9.406 6.850 1.00 15.00 H new ATOM 0 HZ3 LYS A 16 5.417 -9.304 8.524 1.00 15.00 H new