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 12 MET CE :methyl -131:sc= -4.99! (180deg=-11.7!) USER MOD Set 1.2: A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 GLN :FLIP amide:sc= -0.489 F(o=-1.9,f=-0.49) USER MOD Single : A 9 ASN : amide:sc= -0.0291 X(o=-0.029,f=-0.31) USER MOD Single : A 15 LYS NZ :NH3+ 137:sc= 0.372 (180deg=-2.67!) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 63 N LYS A 4 -2.879 4.986 -2.615 1.00 15.00 N ATOM 64 CA LYS A 4 -1.571 4.547 -2.091 1.00 15.00 C ATOM 65 C LYS A 4 -1.778 3.263 -1.323 1.00 15.00 C ATOM 66 O LYS A 4 -0.992 2.349 -1.393 1.00 15.00 O ATOM 67 CB LYS A 4 -1.106 5.660 -1.159 1.00 15.00 C ATOM 68 CG LYS A 4 -0.332 6.683 -1.968 1.00 15.00 C ATOM 69 CD LYS A 4 -1.287 7.364 -2.926 1.00 15.00 C ATOM 70 CE LYS A 4 -0.628 8.618 -3.513 1.00 15.00 C ATOM 71 NZ LYS A 4 -1.279 9.774 -2.827 1.00 15.00 N ATOM 0 HA LYS A 4 -0.835 4.365 -2.874 1.00 15.00 H new ATOM 0 HB2 LYS A 4 -1.963 6.130 -0.676 1.00 15.00 H new ATOM 0 HB3 LYS A 4 -0.478 5.252 -0.367 1.00 15.00 H new ATOM 0 HG2 LYS A 4 0.129 7.417 -1.308 1.00 15.00 H new ATOM 0 HG3 LYS A 4 0.475 6.198 -2.518 1.00 15.00 H new ATOM 0 HD2 LYS A 4 -1.563 6.678 -3.727 1.00 15.00 H new ATOM 0 HD3 LYS A 4 -2.206 7.634 -2.407 1.00 15.00 H new ATOM 0 HE2 LYS A 4 0.448 8.614 -3.338 1.00 15.00 H new ATOM 0 HE3 LYS A 4 -0.775 8.669 -4.592 1.00 15.00 H new ATOM 0 HZ1 LYS A 4 -0.873 10.663 -3.183 1.00 15.00 H new ATOM 0 HZ2 LYS A 4 -2.301 9.760 -3.017 1.00 15.00 H new ATOM 0 HZ3 LYS A 4 -1.117 9.706 -1.802 1.00 15.00 H new ATOM 85 N ILE A 5 -2.859 3.181 -0.615 1.00 15.00 N ATOM 86 CA ILE A 5 -3.167 1.942 0.142 1.00 15.00 C ATOM 87 C ILE A 5 -3.109 0.775 -0.824 1.00 15.00 C ATOM 88 O ILE A 5 -2.764 -0.332 -0.470 1.00 15.00 O ATOM 89 CB ILE A 5 -4.587 2.159 0.660 1.00 15.00 C ATOM 90 CG1 ILE A 5 -4.655 3.483 1.443 1.00 15.00 C ATOM 91 CG2 ILE A 5 -4.982 1.000 1.577 1.00 15.00 C ATOM 92 CD1 ILE A 5 -3.307 3.782 2.107 1.00 15.00 C ATOM 0 H ILE A 5 -3.551 3.925 -0.525 1.00 15.00 H new ATOM 0 HA ILE A 5 -2.476 1.733 0.958 1.00 15.00 H new ATOM 0 HB ILE A 5 -5.276 2.203 -0.184 1.00 15.00 H new ATOM 0 HG12 ILE A 5 -4.924 4.297 0.770 1.00 15.00 H new ATOM 0 HG13 ILE A 5 -5.436 3.425 2.201 1.00 15.00 H new ATOM 0 HG21 ILE A 5 -5.996 1.157 1.946 1.00 15.00 H new ATOM 0 HG22 ILE A 5 -4.939 0.064 1.020 1.00 15.00 H new ATOM 0 HG23 ILE A 5 -4.293 0.952 2.420 1.00 15.00 H new ATOM 0 HD11 ILE A 5 -3.372 4.721 2.656 1.00 15.00 H new ATOM 0 HD12 ILE A 5 -3.054 2.976 2.796 1.00 15.00 H new ATOM 0 HD13 ILE A 5 -2.534 3.862 1.342 1.00 15.00 H new ATOM 104 N PHE A 6 -3.404 1.044 -2.063 1.00 15.00 N ATOM 105 CA PHE A 6 -3.320 -0.033 -3.088 1.00 15.00 C ATOM 106 C PHE A 6 -1.840 -0.327 -3.333 1.00 15.00 C ATOM 107 O PHE A 6 -1.436 -1.453 -3.549 1.00 15.00 O ATOM 108 CB PHE A 6 -3.984 0.540 -4.343 1.00 15.00 C ATOM 109 CG PHE A 6 -5.251 -0.228 -4.642 1.00 15.00 C ATOM 110 CD1 PHE A 6 -5.203 -1.617 -4.814 1.00 15.00 C ATOM 111 CD2 PHE A 6 -6.472 0.450 -4.749 1.00 15.00 C ATOM 112 CE1 PHE A 6 -6.376 -2.329 -5.091 1.00 15.00 C ATOM 113 CE2 PHE A 6 -7.645 -0.263 -5.027 1.00 15.00 C ATOM 114 CZ PHE A 6 -7.597 -1.651 -5.198 1.00 15.00 C ATOM 0 H PHE A 6 -3.698 1.957 -2.410 1.00 15.00 H new ATOM 0 HA PHE A 6 -3.810 -0.960 -2.789 1.00 15.00 H new ATOM 0 HB2 PHE A 6 -4.213 1.596 -4.196 1.00 15.00 H new ATOM 0 HB3 PHE A 6 -3.300 0.477 -5.189 1.00 15.00 H new ATOM 0 HD1 PHE A 6 -4.261 -2.139 -4.733 1.00 15.00 H new ATOM 0 HD2 PHE A 6 -6.509 1.521 -4.617 1.00 15.00 H new ATOM 0 HE1 PHE A 6 -6.340 -3.400 -5.222 1.00 15.00 H new ATOM 0 HE2 PHE A 6 -8.587 0.259 -5.109 1.00 15.00 H new ATOM 0 HZ PHE A 6 -8.502 -2.200 -5.413 1.00 15.00 H new ATOM 124 N PHE A 7 -1.030 0.695 -3.264 1.00 15.00 N ATOM 125 CA PHE A 7 0.437 0.526 -3.449 1.00 15.00 C ATOM 126 C PHE A 7 1.079 0.293 -2.089 1.00 15.00 C ATOM 127 O PHE A 7 1.778 -0.673 -1.893 1.00 15.00 O ATOM 128 CB PHE A 7 0.910 1.851 -4.055 1.00 15.00 C ATOM 129 CG PHE A 7 1.469 1.616 -5.441 1.00 15.00 C ATOM 130 CD1 PHE A 7 0.772 0.811 -6.353 1.00 15.00 C ATOM 131 CD2 PHE A 7 2.682 2.207 -5.815 1.00 15.00 C ATOM 132 CE1 PHE A 7 1.291 0.598 -7.636 1.00 15.00 C ATOM 133 CE2 PHE A 7 3.200 1.992 -7.098 1.00 15.00 C ATOM 134 CZ PHE A 7 2.504 1.188 -8.008 1.00 15.00 C ATOM 0 H PHE A 7 -1.329 1.653 -3.084 1.00 15.00 H new ATOM 0 HA PHE A 7 0.698 -0.319 -4.086 1.00 15.00 H new ATOM 0 HB2 PHE A 7 0.079 2.555 -4.104 1.00 15.00 H new ATOM 0 HB3 PHE A 7 1.672 2.300 -3.418 1.00 15.00 H new ATOM 0 HD1 PHE A 7 -0.164 0.356 -6.066 1.00 15.00 H new ATOM 0 HD2 PHE A 7 3.218 2.829 -5.114 1.00 15.00 H new ATOM 0 HE1 PHE A 7 0.755 -0.022 -8.339 1.00 15.00 H new ATOM 0 HE2 PHE A 7 4.137 2.447 -7.385 1.00 15.00 H new ATOM 0 HZ PHE A 7 2.903 1.023 -8.998 1.00 15.00 H new ATOM 144 N GLN A 8 0.829 1.158 -1.137 1.00 15.00 N ATOM 145 CA GLN A 8 1.395 0.967 0.226 1.00 15.00 C ATOM 146 C GLN A 8 1.218 -0.497 0.627 1.00 15.00 C ATOM 147 O GLN A 8 2.063 -1.090 1.257 1.00 15.00 O ATOM 148 CB GLN A 8 0.568 1.885 1.128 1.00 15.00 C ATOM 149 CG GLN A 8 0.821 3.346 0.741 1.00 15.00 C ATOM 150 CD GLN A 8 0.519 4.256 1.936 1.00 15.00 C ATOM 151 OE1 GLN A 8 -0.435 3.934 2.768 1.00 15.00 O flip ATOM 152 NE2 GLN A 8 1.159 5.273 2.113 1.00 15.00 N flip ATOM 0 H GLN A 8 0.253 1.992 -1.251 1.00 15.00 H new ATOM 0 HA GLN A 8 2.457 1.202 0.291 1.00 15.00 H new ATOM 0 HB2 GLN A 8 -0.492 1.650 1.030 1.00 15.00 H new ATOM 0 HB3 GLN A 8 0.835 1.723 2.172 1.00 15.00 H new ATOM 0 HG2 GLN A 8 1.856 3.475 0.426 1.00 15.00 H new ATOM 0 HG3 GLN A 8 0.193 3.622 -0.106 1.00 15.00 H new ATOM 0 HE21 GLN A 8 1.904 5.526 1.464 1.00 15.00 H new ATOM 0 HE22 GLN A 8 0.951 5.874 2.910 1.00 15.00 H new ATOM 161 N ASN A 9 0.140 -1.098 0.193 1.00 15.00 N ATOM 162 CA ASN A 9 -0.088 -2.543 0.484 1.00 15.00 C ATOM 163 C ASN A 9 1.061 -3.362 -0.111 1.00 15.00 C ATOM 164 O ASN A 9 1.201 -4.544 0.140 1.00 15.00 O ATOM 165 CB ASN A 9 -1.400 -2.891 -0.222 1.00 15.00 C ATOM 166 CG ASN A 9 -1.787 -4.333 0.104 1.00 15.00 C ATOM 167 OD1 ASN A 9 -1.791 -4.729 1.253 1.00 15.00 O ATOM 168 ND2 ASN A 9 -2.117 -5.143 -0.865 1.00 15.00 N ATOM 0 H ASN A 9 -0.594 -0.647 -0.353 1.00 15.00 H new ATOM 0 HA ASN A 9 -0.135 -2.754 1.552 1.00 15.00 H new ATOM 0 HB2 ASN A 9 -2.189 -2.210 0.098 1.00 15.00 H new ATOM 0 HB3 ASN A 9 -1.290 -2.768 -1.299 1.00 15.00 H new ATOM 0 HD21 ASN A 9 -2.378 -6.107 -0.657 1.00 15.00 H new ATOM 0 HD22 ASN A 9 -2.114 -4.812 -1.830 1.00 15.00 H new ATOM 175 N ARG A 10 1.874 -2.728 -0.913 1.00 15.00 N ATOM 176 CA ARG A 10 3.017 -3.427 -1.558 1.00 15.00 C ATOM 177 C ARG A 10 4.319 -2.651 -1.306 1.00 15.00 C ATOM 178 O ARG A 10 5.373 -3.021 -1.786 1.00 15.00 O ATOM 179 CB ARG A 10 2.703 -3.443 -3.064 1.00 15.00 C ATOM 180 CG ARG A 10 1.228 -3.134 -3.310 1.00 15.00 C ATOM 181 CD ARG A 10 0.807 -3.674 -4.680 1.00 15.00 C ATOM 182 NE ARG A 10 -0.450 -4.396 -4.445 1.00 15.00 N ATOM 183 CZ ARG A 10 -0.937 -5.190 -5.358 1.00 15.00 C ATOM 184 NH1 ARG A 10 -0.313 -6.295 -5.661 1.00 15.00 N ATOM 185 NH2 ARG A 10 -2.048 -4.880 -5.968 1.00 15.00 N ATOM 0 H ARG A 10 1.791 -1.740 -1.150 1.00 15.00 H new ATOM 0 HA ARG A 10 3.148 -4.433 -1.160 1.00 15.00 H new ATOM 0 HB2 ARG A 10 3.324 -2.710 -3.578 1.00 15.00 H new ATOM 0 HB3 ARG A 10 2.950 -4.419 -3.482 1.00 15.00 H new ATOM 0 HG2 ARG A 10 0.617 -3.585 -2.528 1.00 15.00 H new ATOM 0 HG3 ARG A 10 1.060 -2.058 -3.266 1.00 15.00 H new ATOM 0 HD2 ARG A 10 0.667 -2.864 -5.396 1.00 15.00 H new ATOM 0 HD3 ARG A 10 1.569 -4.335 -5.093 1.00 15.00 H new ATOM 0 HE ARG A 10 -0.946 -4.276 -3.562 1.00 15.00 H new ATOM 0 HH11 ARG A 10 0.555 -6.538 -5.184 1.00 15.00 H new ATOM 0 HH12 ARG A 10 -0.693 -6.916 -6.375 1.00 15.00 H new ATOM 0 HH21 ARG A 10 -2.536 -4.016 -5.731 1.00 15.00 H new ATOM 0 HH22 ARG A 10 -2.428 -5.501 -6.682 1.00 15.00 H new ATOM 199 N ARG A 11 4.249 -1.567 -0.572 1.00 15.00 N ATOM 200 CA ARG A 11 5.465 -0.753 -0.301 1.00 15.00 C ATOM 201 C ARG A 11 5.761 -0.799 1.179 1.00 15.00 C ATOM 202 O ARG A 11 6.873 -1.046 1.605 1.00 15.00 O ATOM 203 CB ARG A 11 5.088 0.677 -0.696 1.00 15.00 C ATOM 204 CG ARG A 11 4.089 0.655 -1.838 1.00 15.00 C ATOM 205 CD ARG A 11 4.611 1.506 -2.990 1.00 15.00 C ATOM 206 NE ARG A 11 4.745 2.868 -2.426 1.00 15.00 N ATOM 207 CZ ARG A 11 4.318 3.902 -3.096 1.00 15.00 C ATOM 208 NH1 ARG A 11 4.997 4.342 -4.119 1.00 15.00 N ATOM 209 NH2 ARG A 11 3.210 4.496 -2.743 1.00 15.00 N ATOM 0 H ARG A 11 3.392 -1.212 -0.148 1.00 15.00 H new ATOM 0 HA ARG A 11 6.339 -1.112 -0.845 1.00 15.00 H new ATOM 0 HB2 ARG A 11 4.662 1.199 0.161 1.00 15.00 H new ATOM 0 HB3 ARG A 11 5.980 1.228 -0.993 1.00 15.00 H new ATOM 0 HG2 ARG A 11 3.927 -0.369 -2.173 1.00 15.00 H new ATOM 0 HG3 ARG A 11 3.125 1.035 -1.499 1.00 15.00 H new ATOM 0 HD2 ARG A 11 5.568 1.133 -3.355 1.00 15.00 H new ATOM 0 HD3 ARG A 11 3.922 1.494 -3.834 1.00 15.00 H new ATOM 0 HE ARG A 11 5.173 2.998 -1.509 1.00 15.00 H new ATOM 0 HH11 ARG A 11 5.862 3.877 -4.395 1.00 15.00 H new ATOM 0 HH12 ARG A 11 4.663 5.151 -4.643 1.00 15.00 H new ATOM 0 HH21 ARG A 11 2.679 4.151 -1.943 1.00 15.00 H new ATOM 0 HH22 ARG A 11 2.876 5.305 -3.267 1.00 15.00 H new ATOM 223 N MET A 12 4.756 -0.573 1.966 1.00 15.00 N ATOM 224 CA MET A 12 4.963 -0.614 3.442 1.00 15.00 C ATOM 225 C MET A 12 4.740 -2.036 3.934 1.00 15.00 C ATOM 226 O MET A 12 5.390 -2.497 4.850 1.00 15.00 O ATOM 227 CB MET A 12 3.972 0.355 4.078 1.00 15.00 C ATOM 228 CG MET A 12 2.616 0.217 3.426 1.00 15.00 C ATOM 229 SD MET A 12 1.330 0.879 4.522 1.00 15.00 S ATOM 230 CE MET A 12 1.719 -0.098 5.997 1.00 15.00 C ATOM 0 H MET A 12 3.806 -0.363 1.661 1.00 15.00 H new ATOM 0 HA MET A 12 5.977 -0.319 3.712 1.00 15.00 H new ATOM 0 HB2 MET A 12 3.892 0.155 5.147 1.00 15.00 H new ATOM 0 HB3 MET A 12 4.333 1.378 3.971 1.00 15.00 H new ATOM 0 HG2 MET A 12 2.605 0.750 2.475 1.00 15.00 H new ATOM 0 HG3 MET A 12 2.414 -0.831 3.206 1.00 15.00 H new ATOM 0 HE1 MET A 12 0.806 -0.547 6.387 1.00 15.00 H new ATOM 0 HE2 MET A 12 2.427 -0.884 5.736 1.00 15.00 H new ATOM 0 HE3 MET A 12 2.158 0.549 6.756 1.00 15.00 H new ATOM 240 N LYS A 13 3.868 -2.754 3.295 1.00 15.00 N ATOM 241 CA LYS A 13 3.659 -4.167 3.683 1.00 15.00 C ATOM 242 C LYS A 13 4.782 -4.988 3.058 1.00 15.00 C ATOM 243 O LYS A 13 4.951 -6.162 3.325 1.00 15.00 O ATOM 244 CB LYS A 13 2.323 -4.574 3.081 1.00 15.00 C ATOM 245 CG LYS A 13 1.286 -3.459 3.207 1.00 15.00 C ATOM 246 CD LYS A 13 1.294 -2.821 4.601 1.00 15.00 C ATOM 247 CE LYS A 13 0.463 -3.676 5.560 1.00 15.00 C ATOM 248 NZ LYS A 13 1.297 -3.795 6.789 1.00 15.00 N ATOM 0 H LYS A 13 3.292 -2.423 2.521 1.00 15.00 H new ATOM 0 HA LYS A 13 3.660 -4.317 4.763 1.00 15.00 H new ATOM 0 HB2 LYS A 13 2.459 -4.828 2.030 1.00 15.00 H new ATOM 0 HB3 LYS A 13 1.956 -5.471 3.580 1.00 15.00 H new ATOM 0 HG2 LYS A 13 1.484 -2.693 2.457 1.00 15.00 H new ATOM 0 HG3 LYS A 13 0.295 -3.861 2.998 1.00 15.00 H new ATOM 0 HD2 LYS A 13 2.317 -2.735 4.967 1.00 15.00 H new ATOM 0 HD3 LYS A 13 0.887 -1.811 4.552 1.00 15.00 H new ATOM 0 HE2 LYS A 13 -0.496 -3.206 5.778 1.00 15.00 H new ATOM 0 HE3 LYS A 13 0.249 -4.655 5.132 1.00 15.00 H new ATOM 0 HZ1 LYS A 13 0.794 -4.369 7.496 1.00 15.00 H new ATOM 0 HZ2 LYS A 13 2.201 -4.251 6.552 1.00 15.00 H new ATOM 0 HZ3 LYS A 13 1.479 -2.848 7.178 1.00 15.00 H new ATOM 262 N PHE A 14 5.550 -4.349 2.216 1.00 15.00 N ATOM 263 CA PHE A 14 6.675 -5.023 1.536 1.00 15.00 C ATOM 264 C PHE A 14 7.856 -5.130 2.490 1.00 15.00 C ATOM 265 O PHE A 14 8.747 -5.937 2.308 1.00 15.00 O ATOM 266 CB PHE A 14 6.997 -4.099 0.361 1.00 15.00 C ATOM 267 CG PHE A 14 7.146 -4.911 -0.904 1.00 15.00 C ATOM 268 CD1 PHE A 14 6.087 -5.713 -1.349 1.00 15.00 C ATOM 269 CD2 PHE A 14 8.342 -4.863 -1.631 1.00 15.00 C ATOM 270 CE1 PHE A 14 6.225 -6.466 -2.520 1.00 15.00 C ATOM 271 CE2 PHE A 14 8.479 -5.617 -2.802 1.00 15.00 C ATOM 272 CZ PHE A 14 7.420 -6.419 -3.247 1.00 15.00 C ATOM 0 H PHE A 14 5.435 -3.366 1.971 1.00 15.00 H new ATOM 0 HA PHE A 14 6.445 -6.037 1.210 1.00 15.00 H new ATOM 0 HB2 PHE A 14 6.204 -3.361 0.239 1.00 15.00 H new ATOM 0 HB3 PHE A 14 7.916 -3.549 0.561 1.00 15.00 H new ATOM 0 HD1 PHE A 14 5.165 -5.750 -0.788 1.00 15.00 H new ATOM 0 HD2 PHE A 14 9.158 -4.244 -1.288 1.00 15.00 H new ATOM 0 HE1 PHE A 14 5.409 -7.084 -2.863 1.00 15.00 H new ATOM 0 HE2 PHE A 14 9.401 -5.581 -3.363 1.00 15.00 H new ATOM 0 HZ PHE A 14 7.526 -7.001 -4.151 1.00 15.00 H new ATOM 282 N LYS A 15 7.863 -4.323 3.512 1.00 15.00 N ATOM 283 CA LYS A 15 8.983 -4.377 4.490 1.00 15.00 C ATOM 284 C LYS A 15 8.416 -4.333 5.908 1.00 15.00 C ATOM 285 O LYS A 15 9.139 -4.237 6.880 1.00 15.00 O ATOM 286 CB LYS A 15 9.845 -3.141 4.206 1.00 15.00 C ATOM 287 CG LYS A 15 9.026 -2.091 3.456 1.00 15.00 C ATOM 288 CD LYS A 15 7.978 -1.513 4.394 1.00 15.00 C ATOM 289 CE LYS A 15 8.194 -0.001 4.558 1.00 15.00 C ATOM 290 NZ LYS A 15 8.217 0.557 3.174 1.00 15.00 N ATOM 0 H LYS A 15 7.143 -3.629 3.712 1.00 15.00 H new ATOM 0 HA LYS A 15 9.572 -5.290 4.400 1.00 15.00 H new ATOM 0 HB2 LYS A 15 10.216 -2.724 5.142 1.00 15.00 H new ATOM 0 HB3 LYS A 15 10.717 -3.424 3.616 1.00 15.00 H new ATOM 0 HG2 LYS A 15 9.678 -1.299 3.087 1.00 15.00 H new ATOM 0 HG3 LYS A 15 8.546 -2.540 2.586 1.00 15.00 H new ATOM 0 HD2 LYS A 15 6.980 -1.705 4.000 1.00 15.00 H new ATOM 0 HD3 LYS A 15 8.037 -2.004 5.365 1.00 15.00 H new ATOM 0 HE2 LYS A 15 7.394 0.447 5.147 1.00 15.00 H new ATOM 0 HE3 LYS A 15 9.128 0.207 5.079 1.00 15.00 H new ATOM 0 HZ1 LYS A 15 7.662 1.436 3.145 1.00 15.00 H new ATOM 0 HZ2 LYS A 15 9.199 0.758 2.897 1.00 15.00 H new ATOM 0 HZ3 LYS A 15 7.806 -0.134 2.514 1.00 15.00 H new ATOM 304 N LYS A 16 7.118 -4.395 6.020 1.00 15.00 N ATOM 305 CA LYS A 16 6.463 -4.352 7.342 1.00 15.00 C ATOM 306 C LYS A 16 7.052 -5.411 8.280 1.00 15.00 C ATOM 307 O LYS A 16 6.717 -5.387 9.453 1.00 15.00 O ATOM 308 CB LYS A 16 4.986 -4.605 7.030 1.00 15.00 C ATOM 309 CG LYS A 16 4.809 -5.956 6.330 1.00 15.00 C ATOM 310 CD LYS A 16 5.097 -7.081 7.317 1.00 15.00 C ATOM 311 CE LYS A 16 4.043 -8.184 7.174 1.00 15.00 C ATOM 312 NZ LYS A 16 3.218 -8.092 8.412 1.00 15.00 N ATOM 313 OXT LYS A 16 7.826 -6.228 7.808 1.00 15.00 O ATOM 0 H LYS A 16 6.477 -4.475 5.230 1.00 15.00 H new ATOM 0 HA LYS A 16 6.609 -3.406 7.863 1.00 15.00 H new ATOM 0 HB2 LYS A 16 4.405 -4.588 7.952 1.00 15.00 H new ATOM 0 HB3 LYS A 16 4.600 -3.807 6.396 1.00 15.00 H new ATOM 0 HG2 LYS A 16 3.794 -6.047 5.944 1.00 15.00 H new ATOM 0 HG3 LYS A 16 5.482 -6.026 5.476 1.00 15.00 H new ATOM 0 HD2 LYS A 16 6.091 -7.490 7.135 1.00 15.00 H new ATOM 0 HD3 LYS A 16 5.093 -6.693 8.335 1.00 15.00 H new ATOM 0 HE2 LYS A 16 3.434 -8.035 6.282 1.00 15.00 H new ATOM 0 HE3 LYS A 16 4.509 -9.165 7.082 1.00 15.00 H new ATOM 0 HZ1 LYS A 16 2.473 -8.817 8.387 1.00 15.00 H new ATOM 0 HZ2 LYS A 16 3.823 -8.245 9.244 1.00 15.00 H new ATOM 0 HZ3 LYS A 16 2.782 -7.150 8.469 1.00 15.00 H new