USER MOD reduce.3.24.130724 H: found=0, std=0, add=138, rem=0, adj=4 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= -0.316 K(o=-0.39,f=-1.6) USER MOD Set 1.2: A 12 MET CE :methyl 151:sc= -0.0719 (180deg=-0.00686) USER MOD Single : A 4 LYS NZ :NH3+ -114:sc= -0.0369 (180deg=-0.381) USER MOD Single : A 9 ASN : amide:sc= -0.0793 K(o=-0.079,f=-1.3) USER MOD Single : A 13 LYS NZ :NH3+ 164:sc= -0.824 (180deg=-1.22) USER MOD Single : A 15 LYS NZ :NH3+ 167:sc= 0 (180deg=-0.0116) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 63 N LYS A 4 -2.804 4.948 -2.536 1.00 15.00 N ATOM 64 CA LYS A 4 -1.572 4.523 -1.839 1.00 15.00 C ATOM 65 C LYS A 4 -1.868 3.230 -1.117 1.00 15.00 C ATOM 66 O LYS A 4 -1.089 2.309 -1.117 1.00 15.00 O ATOM 67 CB LYS A 4 -1.267 5.616 -0.818 1.00 15.00 C ATOM 68 CG LYS A 4 -0.395 6.675 -1.460 1.00 15.00 C ATOM 69 CD LYS A 4 -1.229 7.430 -2.468 1.00 15.00 C ATOM 70 CE LYS A 4 -0.578 8.779 -2.781 1.00 15.00 C ATOM 71 NZ LYS A 4 -0.911 9.649 -1.619 1.00 15.00 N ATOM 0 HA LYS A 4 -0.735 4.374 -2.521 1.00 15.00 H new ATOM 0 HB2 LYS A 4 -2.194 6.062 -0.458 1.00 15.00 H new ATOM 0 HB3 LYS A 4 -0.762 5.189 0.048 1.00 15.00 H new ATOM 0 HG2 LYS A 4 -0.006 7.356 -0.703 1.00 15.00 H new ATOM 0 HG3 LYS A 4 0.465 6.215 -1.947 1.00 15.00 H new ATOM 0 HD2 LYS A 4 -1.328 6.844 -3.382 1.00 15.00 H new ATOM 0 HD3 LYS A 4 -2.235 7.584 -2.077 1.00 15.00 H new ATOM 0 HE2 LYS A 4 0.501 8.678 -2.901 1.00 15.00 H new ATOM 0 HE3 LYS A 4 -0.965 9.197 -3.710 1.00 15.00 H new ATOM 0 HZ1 LYS A 4 -1.538 10.418 -1.930 1.00 15.00 H new ATOM 0 HZ2 LYS A 4 -1.391 9.085 -0.889 1.00 15.00 H new ATOM 0 HZ3 LYS A 4 -0.037 10.052 -1.225 1.00 15.00 H new ATOM 85 N ILE A 5 -3.014 3.155 -0.516 1.00 15.00 N ATOM 86 CA ILE A 5 -3.409 1.915 0.203 1.00 15.00 C ATOM 87 C ILE A 5 -3.247 0.742 -0.743 1.00 15.00 C ATOM 88 O ILE A 5 -2.965 -0.370 -0.346 1.00 15.00 O ATOM 89 CB ILE A 5 -4.875 2.142 0.557 1.00 15.00 C ATOM 90 CG1 ILE A 5 -5.021 3.454 1.353 1.00 15.00 C ATOM 91 CG2 ILE A 5 -5.386 0.973 1.402 1.00 15.00 C ATOM 92 CD1 ILE A 5 -3.735 3.761 2.131 1.00 15.00 C ATOM 0 H ILE A 5 -3.704 3.906 -0.490 1.00 15.00 H new ATOM 0 HA ILE A 5 -2.812 1.703 1.090 1.00 15.00 H new ATOM 0 HB ILE A 5 -5.459 2.210 -0.361 1.00 15.00 H new ATOM 0 HG12 ILE A 5 -5.245 4.275 0.672 1.00 15.00 H new ATOM 0 HG13 ILE A 5 -5.860 3.375 2.044 1.00 15.00 H new ATOM 0 HG21 ILE A 5 -6.434 1.137 1.654 1.00 15.00 H new ATOM 0 HG22 ILE A 5 -5.289 0.046 0.837 1.00 15.00 H new ATOM 0 HG23 ILE A 5 -4.799 0.902 2.318 1.00 15.00 H new ATOM 0 HD11 ILE A 5 -3.859 4.691 2.686 1.00 15.00 H new ATOM 0 HD12 ILE A 5 -3.528 2.948 2.827 1.00 15.00 H new ATOM 0 HD13 ILE A 5 -2.903 3.863 1.434 1.00 15.00 H new ATOM 104 N PHE A 6 -3.382 1.011 -2.005 1.00 15.00 N ATOM 105 CA PHE A 6 -3.190 -0.066 -3.014 1.00 15.00 C ATOM 106 C PHE A 6 -1.687 -0.281 -3.195 1.00 15.00 C ATOM 107 O PHE A 6 -1.219 -1.387 -3.368 1.00 15.00 O ATOM 108 CB PHE A 6 -3.834 0.453 -4.300 1.00 15.00 C ATOM 109 CG PHE A 6 -5.304 0.105 -4.303 1.00 15.00 C ATOM 110 CD1 PHE A 6 -5.706 -1.236 -4.338 1.00 15.00 C ATOM 111 CD2 PHE A 6 -6.264 1.123 -4.271 1.00 15.00 C ATOM 112 CE1 PHE A 6 -7.069 -1.557 -4.341 1.00 15.00 C ATOM 113 CE2 PHE A 6 -7.626 0.801 -4.274 1.00 15.00 C ATOM 114 CZ PHE A 6 -8.028 -0.539 -4.309 1.00 15.00 C ATOM 0 H PHE A 6 -3.617 1.928 -2.385 1.00 15.00 H new ATOM 0 HA PHE A 6 -3.636 -1.017 -2.724 1.00 15.00 H new ATOM 0 HB2 PHE A 6 -3.705 1.533 -4.374 1.00 15.00 H new ATOM 0 HB3 PHE A 6 -3.343 0.013 -5.168 1.00 15.00 H new ATOM 0 HD1 PHE A 6 -4.966 -2.022 -4.363 1.00 15.00 H new ATOM 0 HD2 PHE A 6 -5.954 2.157 -4.244 1.00 15.00 H new ATOM 0 HE1 PHE A 6 -7.380 -2.591 -4.368 1.00 15.00 H new ATOM 0 HE2 PHE A 6 -8.367 1.587 -4.249 1.00 15.00 H new ATOM 0 HZ PHE A 6 -9.079 -0.787 -4.311 1.00 15.00 H new ATOM 124 N PHE A 7 -0.931 0.784 -3.118 1.00 15.00 N ATOM 125 CA PHE A 7 0.552 0.681 -3.244 1.00 15.00 C ATOM 126 C PHE A 7 1.148 0.419 -1.865 1.00 15.00 C ATOM 127 O PHE A 7 2.013 -0.414 -1.698 1.00 15.00 O ATOM 128 CB PHE A 7 0.996 2.048 -3.766 1.00 15.00 C ATOM 129 CG PHE A 7 1.961 1.863 -4.912 1.00 15.00 C ATOM 130 CD1 PHE A 7 1.486 1.495 -6.175 1.00 15.00 C ATOM 131 CD2 PHE A 7 3.333 2.059 -4.710 1.00 15.00 C ATOM 132 CE1 PHE A 7 2.381 1.322 -7.238 1.00 15.00 C ATOM 133 CE2 PHE A 7 4.228 1.887 -5.772 1.00 15.00 C ATOM 134 CZ PHE A 7 3.753 1.518 -7.036 1.00 15.00 C ATOM 0 H PHE A 7 -1.283 1.730 -2.972 1.00 15.00 H new ATOM 0 HA PHE A 7 0.871 -0.126 -3.904 1.00 15.00 H new ATOM 0 HB2 PHE A 7 0.130 2.622 -4.096 1.00 15.00 H new ATOM 0 HB3 PHE A 7 1.470 2.618 -2.967 1.00 15.00 H new ATOM 0 HD1 PHE A 7 0.428 1.344 -6.331 1.00 15.00 H new ATOM 0 HD2 PHE A 7 3.700 2.343 -3.735 1.00 15.00 H new ATOM 0 HE1 PHE A 7 2.014 1.038 -8.213 1.00 15.00 H new ATOM 0 HE2 PHE A 7 5.286 2.039 -5.616 1.00 15.00 H new ATOM 0 HZ PHE A 7 4.444 1.385 -7.855 1.00 15.00 H new ATOM 144 N GLN A 8 0.669 1.116 -0.870 1.00 15.00 N ATOM 145 CA GLN A 8 1.169 0.896 0.511 1.00 15.00 C ATOM 146 C GLN A 8 1.047 -0.584 0.834 1.00 15.00 C ATOM 147 O GLN A 8 1.919 -1.181 1.421 1.00 15.00 O ATOM 148 CB GLN A 8 0.251 1.727 1.404 1.00 15.00 C ATOM 149 CG GLN A 8 0.523 3.215 1.159 1.00 15.00 C ATOM 150 CD GLN A 8 0.038 4.025 2.363 1.00 15.00 C ATOM 151 OE1 GLN A 8 -0.869 3.617 3.060 1.00 15.00 O ATOM 152 NE2 GLN A 8 0.608 5.168 2.636 1.00 15.00 N ATOM 0 H GLN A 8 -0.052 1.832 -0.959 1.00 15.00 H new ATOM 0 HA GLN A 8 2.211 1.184 0.647 1.00 15.00 H new ATOM 0 HB2 GLN A 8 -0.792 1.495 1.189 1.00 15.00 H new ATOM 0 HB3 GLN A 8 0.423 1.481 2.452 1.00 15.00 H new ATOM 0 HG2 GLN A 8 1.589 3.380 1.001 1.00 15.00 H new ATOM 0 HG3 GLN A 8 0.012 3.545 0.255 1.00 15.00 H new ATOM 0 HE21 GLN A 8 1.370 5.511 2.051 1.00 15.00 H new ATOM 0 HE22 GLN A 8 0.291 5.718 3.435 1.00 15.00 H new ATOM 161 N ASN A 9 -0.013 -1.193 0.390 1.00 15.00 N ATOM 162 CA ASN A 9 -0.188 -2.651 0.618 1.00 15.00 C ATOM 163 C ASN A 9 0.964 -3.407 -0.046 1.00 15.00 C ATOM 164 O ASN A 9 1.147 -4.592 0.154 1.00 15.00 O ATOM 165 CB ASN A 9 -1.506 -3.000 -0.068 1.00 15.00 C ATOM 166 CG ASN A 9 -1.881 -4.448 0.249 1.00 15.00 C ATOM 167 OD1 ASN A 9 -1.412 -5.365 -0.397 1.00 15.00 O ATOM 168 ND2 ASN A 9 -2.714 -4.695 1.222 1.00 15.00 N ATOM 0 H ASN A 9 -0.770 -0.741 -0.124 1.00 15.00 H new ATOM 0 HA ASN A 9 -0.196 -2.914 1.676 1.00 15.00 H new ATOM 0 HB2 ASN A 9 -2.294 -2.327 0.271 1.00 15.00 H new ATOM 0 HB3 ASN A 9 -1.414 -2.865 -1.146 1.00 15.00 H new ATOM 0 HD21 ASN A 9 -2.972 -5.657 1.441 1.00 15.00 H new ATOM 0 HD22 ASN A 9 -3.108 -3.926 1.764 1.00 15.00 H new ATOM 175 N ARG A 10 1.733 -2.719 -0.848 1.00 15.00 N ATOM 176 CA ARG A 10 2.871 -3.366 -1.551 1.00 15.00 C ATOM 177 C ARG A 10 4.144 -2.527 -1.398 1.00 15.00 C ATOM 178 O ARG A 10 5.146 -2.802 -2.029 1.00 15.00 O ATOM 179 CB ARG A 10 2.469 -3.434 -3.033 1.00 15.00 C ATOM 180 CG ARG A 10 1.055 -2.891 -3.230 1.00 15.00 C ATOM 181 CD ARG A 10 0.623 -3.093 -4.690 1.00 15.00 C ATOM 182 NE ARG A 10 0.701 -4.556 -4.950 1.00 15.00 N ATOM 183 CZ ARG A 10 0.330 -5.421 -4.039 1.00 15.00 C ATOM 184 NH1 ARG A 10 -0.830 -5.299 -3.457 1.00 15.00 N ATOM 185 NH2 ARG A 10 1.124 -6.404 -3.714 1.00 15.00 N ATOM 0 H ARG A 10 1.617 -1.725 -1.046 1.00 15.00 H new ATOM 0 HA ARG A 10 3.078 -4.354 -1.139 1.00 15.00 H new ATOM 0 HB2 ARG A 10 3.173 -2.858 -3.633 1.00 15.00 H new ATOM 0 HB3 ARG A 10 2.521 -4.465 -3.383 1.00 15.00 H new ATOM 0 HG2 ARG A 10 0.362 -3.402 -2.561 1.00 15.00 H new ATOM 0 HG3 ARG A 10 1.023 -1.832 -2.974 1.00 15.00 H new ATOM 0 HD2 ARG A 10 -0.390 -2.723 -4.851 1.00 15.00 H new ATOM 0 HD3 ARG A 10 1.275 -2.542 -5.368 1.00 15.00 H new ATOM 0 HE ARG A 10 1.048 -4.890 -5.849 1.00 15.00 H new ATOM 0 HH11 ARG A 10 -1.450 -4.530 -3.711 1.00 15.00 H new ATOM 0 HH12 ARG A 10 -1.118 -5.973 -2.748 1.00 15.00 H new ATOM 0 HH21 ARG A 10 2.032 -6.498 -4.169 1.00 15.00 H new ATOM 0 HH22 ARG A 10 0.837 -7.078 -3.005 1.00 15.00 H new ATOM 199 N ARG A 11 4.122 -1.506 -0.578 1.00 15.00 N ATOM 200 CA ARG A 11 5.335 -0.672 -0.416 1.00 15.00 C ATOM 201 C ARG A 11 5.757 -0.684 1.044 1.00 15.00 C ATOM 202 O ARG A 11 6.923 -0.725 1.364 1.00 15.00 O ATOM 203 CB ARG A 11 4.908 0.723 -0.905 1.00 15.00 C ATOM 204 CG ARG A 11 4.395 1.606 0.226 1.00 15.00 C ATOM 205 CD ARG A 11 5.444 2.660 0.576 1.00 15.00 C ATOM 206 NE ARG A 11 6.688 1.906 0.860 1.00 15.00 N ATOM 207 CZ ARG A 11 7.365 2.135 1.954 1.00 15.00 C ATOM 208 NH1 ARG A 11 6.740 2.402 3.069 1.00 15.00 N ATOM 209 NH2 ARG A 11 8.670 2.097 1.933 1.00 15.00 N ATOM 0 H ARG A 11 3.317 -1.221 -0.020 1.00 15.00 H new ATOM 0 HA ARG A 11 6.199 -1.026 -0.979 1.00 15.00 H new ATOM 0 HB2 ARG A 11 5.755 1.211 -1.387 1.00 15.00 H new ATOM 0 HB3 ARG A 11 4.130 0.617 -1.661 1.00 15.00 H new ATOM 0 HG2 ARG A 11 3.465 2.090 -0.072 1.00 15.00 H new ATOM 0 HG3 ARG A 11 4.171 0.997 1.102 1.00 15.00 H new ATOM 0 HD2 ARG A 11 5.588 3.358 -0.249 1.00 15.00 H new ATOM 0 HD3 ARG A 11 5.136 3.248 1.441 1.00 15.00 H new ATOM 0 HE ARG A 11 7.018 1.204 0.197 1.00 15.00 H new ATOM 0 HH11 ARG A 11 5.721 2.432 3.088 1.00 15.00 H new ATOM 0 HH12 ARG A 11 7.271 2.580 3.921 1.00 15.00 H new ATOM 0 HH21 ARG A 11 9.160 1.889 1.063 1.00 15.00 H new ATOM 0 HH22 ARG A 11 9.199 2.276 2.786 1.00 15.00 H new ATOM 223 N MET A 12 4.805 -0.684 1.924 1.00 15.00 N ATOM 224 CA MET A 12 5.135 -0.735 3.377 1.00 15.00 C ATOM 225 C MET A 12 4.936 -2.164 3.851 1.00 15.00 C ATOM 226 O MET A 12 5.682 -2.670 4.665 1.00 15.00 O ATOM 227 CB MET A 12 4.193 0.231 4.101 1.00 15.00 C ATOM 228 CG MET A 12 2.854 0.281 3.401 1.00 15.00 C ATOM 229 SD MET A 12 1.557 0.673 4.602 1.00 15.00 S ATOM 230 CE MET A 12 1.870 2.453 4.701 1.00 15.00 C ATOM 0 H MET A 12 3.809 -0.651 1.705 1.00 15.00 H new ATOM 0 HA MET A 12 6.165 -0.441 3.579 1.00 15.00 H new ATOM 0 HB2 MET A 12 4.059 -0.087 5.135 1.00 15.00 H new ATOM 0 HB3 MET A 12 4.634 1.227 4.129 1.00 15.00 H new ATOM 0 HG2 MET A 12 2.872 1.033 2.612 1.00 15.00 H new ATOM 0 HG3 MET A 12 2.645 -0.677 2.924 1.00 15.00 H new ATOM 0 HE1 MET A 12 0.943 2.973 4.943 1.00 15.00 H new ATOM 0 HE2 MET A 12 2.610 2.650 5.477 1.00 15.00 H new ATOM 0 HE3 MET A 12 2.246 2.810 3.742 1.00 15.00 H new ATOM 240 N LYS A 13 3.968 -2.841 3.292 1.00 15.00 N ATOM 241 CA LYS A 13 3.764 -4.263 3.652 1.00 15.00 C ATOM 242 C LYS A 13 4.907 -5.049 3.012 1.00 15.00 C ATOM 243 O LYS A 13 5.173 -6.190 3.337 1.00 15.00 O ATOM 244 CB LYS A 13 2.430 -4.663 3.030 1.00 15.00 C ATOM 245 CG LYS A 13 1.359 -3.584 3.239 1.00 15.00 C ATOM 246 CD LYS A 13 1.446 -2.934 4.628 1.00 15.00 C ATOM 247 CE LYS A 13 0.650 -3.767 5.635 1.00 15.00 C ATOM 248 NZ LYS A 13 1.633 -4.735 6.198 1.00 15.00 N ATOM 0 H LYS A 13 3.314 -2.467 2.604 1.00 15.00 H new ATOM 0 HA LYS A 13 3.753 -4.447 4.726 1.00 15.00 H new ATOM 0 HB2 LYS A 13 2.565 -4.840 1.963 1.00 15.00 H new ATOM 0 HB3 LYS A 13 2.091 -5.602 3.468 1.00 15.00 H new ATOM 0 HG2 LYS A 13 1.467 -2.815 2.474 1.00 15.00 H new ATOM 0 HG3 LYS A 13 0.371 -4.026 3.109 1.00 15.00 H new ATOM 0 HD2 LYS A 13 2.487 -2.862 4.942 1.00 15.00 H new ATOM 0 HD3 LYS A 13 1.054 -1.918 4.590 1.00 15.00 H new ATOM 0 HE2 LYS A 13 0.223 -3.139 6.417 1.00 15.00 H new ATOM 0 HE3 LYS A 13 -0.180 -4.283 5.152 1.00 15.00 H new ATOM 0 HZ1 LYS A 13 1.250 -5.151 7.071 1.00 15.00 H new ATOM 0 HZ2 LYS A 13 1.813 -5.489 5.505 1.00 15.00 H new ATOM 0 HZ3 LYS A 13 2.523 -4.241 6.412 1.00 15.00 H new ATOM 262 N PHE A 14 5.589 -4.404 2.102 1.00 15.00 N ATOM 263 CA PHE A 14 6.739 -5.020 1.404 1.00 15.00 C ATOM 264 C PHE A 14 7.932 -5.054 2.351 1.00 15.00 C ATOM 265 O PHE A 14 8.893 -5.767 2.140 1.00 15.00 O ATOM 266 CB PHE A 14 7.001 -4.069 0.232 1.00 15.00 C ATOM 267 CG PHE A 14 7.146 -4.864 -1.045 1.00 15.00 C ATOM 268 CD1 PHE A 14 6.047 -5.556 -1.567 1.00 15.00 C ATOM 269 CD2 PHE A 14 8.380 -4.908 -1.705 1.00 15.00 C ATOM 270 CE1 PHE A 14 6.182 -6.292 -2.750 1.00 15.00 C ATOM 271 CE2 PHE A 14 8.516 -5.643 -2.887 1.00 15.00 C ATOM 272 CZ PHE A 14 7.417 -6.336 -3.411 1.00 15.00 C ATOM 0 H PHE A 14 5.384 -3.448 1.811 1.00 15.00 H new ATOM 0 HA PHE A 14 6.561 -6.043 1.073 1.00 15.00 H new ATOM 0 HB2 PHE A 14 6.181 -3.357 0.138 1.00 15.00 H new ATOM 0 HB3 PHE A 14 7.906 -3.490 0.416 1.00 15.00 H new ATOM 0 HD1 PHE A 14 5.095 -5.522 -1.057 1.00 15.00 H new ATOM 0 HD2 PHE A 14 9.227 -4.374 -1.301 1.00 15.00 H new ATOM 0 HE1 PHE A 14 5.334 -6.826 -3.153 1.00 15.00 H new ATOM 0 HE2 PHE A 14 9.468 -5.676 -3.396 1.00 15.00 H new ATOM 0 HZ PHE A 14 7.521 -6.904 -4.324 1.00 15.00 H new ATOM 282 N LYS A 15 7.866 -4.283 3.404 1.00 15.00 N ATOM 283 CA LYS A 15 8.982 -4.260 4.385 1.00 15.00 C ATOM 284 C LYS A 15 8.418 -4.191 5.802 1.00 15.00 C ATOM 285 O LYS A 15 9.137 -3.994 6.763 1.00 15.00 O ATOM 286 CB LYS A 15 9.780 -2.995 4.064 1.00 15.00 C ATOM 287 CG LYS A 15 8.842 -1.788 3.970 1.00 15.00 C ATOM 288 CD LYS A 15 9.141 -1.007 2.689 1.00 15.00 C ATOM 289 CE LYS A 15 10.613 -0.573 2.670 1.00 15.00 C ATOM 290 NZ LYS A 15 11.158 -1.112 1.392 1.00 15.00 N ATOM 0 H LYS A 15 7.083 -3.667 3.625 1.00 15.00 H new ATOM 0 HA LYS A 15 9.605 -5.152 4.324 1.00 15.00 H new ATOM 0 HB2 LYS A 15 10.529 -2.823 4.837 1.00 15.00 H new ATOM 0 HB3 LYS A 15 10.315 -3.123 3.123 1.00 15.00 H new ATOM 0 HG2 LYS A 15 7.804 -2.120 3.972 1.00 15.00 H new ATOM 0 HG3 LYS A 15 8.972 -1.144 4.840 1.00 15.00 H new ATOM 0 HD2 LYS A 15 8.924 -1.625 1.818 1.00 15.00 H new ATOM 0 HD3 LYS A 15 8.494 -0.132 2.628 1.00 15.00 H new ATOM 0 HE2 LYS A 15 10.705 0.512 2.712 1.00 15.00 H new ATOM 0 HE3 LYS A 15 11.153 -0.972 3.529 1.00 15.00 H new ATOM 0 HZ1 LYS A 15 12.083 -0.678 1.199 1.00 15.00 H new ATOM 0 HZ2 LYS A 15 11.268 -2.143 1.469 1.00 15.00 H new ATOM 0 HZ3 LYS A 15 10.503 -0.891 0.615 1.00 15.00 H new ATOM 304 N LYS A 16 7.130 -4.339 5.932 1.00 15.00 N ATOM 305 CA LYS A 16 6.491 -4.273 7.260 1.00 15.00 C ATOM 306 C LYS A 16 7.097 -5.312 8.209 1.00 15.00 C ATOM 307 O LYS A 16 6.724 -5.314 9.370 1.00 15.00 O ATOM 308 CB LYS A 16 5.009 -4.534 6.978 1.00 15.00 C ATOM 309 CG LYS A 16 4.823 -5.912 6.336 1.00 15.00 C ATOM 310 CD LYS A 16 5.098 -6.996 7.370 1.00 15.00 C ATOM 311 CE LYS A 16 4.018 -8.077 7.292 1.00 15.00 C ATOM 312 NZ LYS A 16 4.237 -8.926 8.497 1.00 15.00 N ATOM 313 OXT LYS A 16 7.923 -6.088 7.756 1.00 15.00 O ATOM 0 H LYS A 16 6.489 -4.505 5.157 1.00 15.00 H new ATOM 0 HA LYS A 16 6.640 -3.315 7.759 1.00 15.00 H new ATOM 0 HB2 LYS A 16 4.440 -4.478 7.906 1.00 15.00 H new ATOM 0 HB3 LYS A 16 4.616 -3.762 6.317 1.00 15.00 H new ATOM 0 HG2 LYS A 16 3.808 -6.011 5.951 1.00 15.00 H new ATOM 0 HG3 LYS A 16 5.498 -6.024 5.488 1.00 15.00 H new ATOM 0 HD2 LYS A 16 6.079 -7.437 7.195 1.00 15.00 H new ATOM 0 HD3 LYS A 16 5.118 -6.561 8.369 1.00 15.00 H new ATOM 0 HE2 LYS A 16 3.020 -7.639 7.294 1.00 15.00 H new ATOM 0 HE3 LYS A 16 4.109 -8.661 6.376 1.00 15.00 H new ATOM 0 HZ1 LYS A 16 3.533 -9.692 8.515 1.00 15.00 H new ATOM 0 HZ2 LYS A 16 5.193 -9.335 8.465 1.00 15.00 H new ATOM 0 HZ3 LYS A 16 4.138 -8.345 9.354 1.00 15.00 H new