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= -1.39 K(o=-1.4,f=-3.5!) USER MOD Set 1.2: A 12 MET CE :methyl 168:sc=-0.000113 (180deg=-0.00161) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 ASN : amide:sc= -0.876 K(o=-0.88,f=-3.4!) USER MOD Single : A 13 LYS NZ :NH3+ 154:sc= -0.99 (180deg=-2.36!) 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 -2.816 4.804 -2.480 1.00 15.00 N ATOM 64 CA LYS A 4 -1.613 4.270 -1.796 1.00 15.00 C ATOM 65 C LYS A 4 -1.968 2.979 -1.101 1.00 15.00 C ATOM 66 O LYS A 4 -1.195 2.053 -1.066 1.00 15.00 O ATOM 67 CB LYS A 4 -1.217 5.334 -0.765 1.00 15.00 C ATOM 68 CG LYS A 4 -1.097 6.696 -1.439 1.00 15.00 C ATOM 69 CD LYS A 4 -0.423 6.531 -2.797 1.00 15.00 C ATOM 70 CE LYS A 4 0.967 5.911 -2.619 1.00 15.00 C ATOM 71 NZ LYS A 4 1.859 6.706 -3.510 1.00 15.00 N ATOM 0 HA LYS A 4 -0.798 4.065 -2.491 1.00 15.00 H new ATOM 0 HB2 LYS A 4 -1.962 5.377 0.030 1.00 15.00 H new ATOM 0 HB3 LYS A 4 -0.269 5.065 -0.299 1.00 15.00 H new ATOM 0 HG2 LYS A 4 -2.084 7.141 -1.562 1.00 15.00 H new ATOM 0 HG3 LYS A 4 -0.517 7.374 -0.813 1.00 15.00 H new ATOM 0 HD2 LYS A 4 -1.033 5.898 -3.441 1.00 15.00 H new ATOM 0 HD3 LYS A 4 -0.338 7.499 -3.290 1.00 15.00 H new ATOM 0 HE2 LYS A 4 1.294 5.967 -1.581 1.00 15.00 H new ATOM 0 HE3 LYS A 4 0.968 4.857 -2.897 1.00 15.00 H new ATOM 0 HZ1 LYS A 4 2.831 6.341 -3.443 1.00 15.00 H new ATOM 0 HZ2 LYS A 4 1.527 6.629 -4.492 1.00 15.00 H new ATOM 0 HZ3 LYS A 4 1.843 7.704 -3.217 1.00 15.00 H new ATOM 85 N ILE A 5 -3.141 2.895 -0.563 1.00 15.00 N ATOM 86 CA ILE A 5 -3.552 1.648 0.113 1.00 15.00 C ATOM 87 C ILE A 5 -3.295 0.496 -0.843 1.00 15.00 C ATOM 88 O ILE A 5 -2.974 -0.607 -0.455 1.00 15.00 O ATOM 89 CB ILE A 5 -5.039 1.837 0.367 1.00 15.00 C ATOM 90 CG1 ILE A 5 -5.243 2.804 1.539 1.00 15.00 C ATOM 91 CG2 ILE A 5 -5.685 0.491 0.709 1.00 15.00 C ATOM 92 CD1 ILE A 5 -4.060 3.775 1.690 1.00 15.00 C ATOM 0 H ILE A 5 -3.837 3.641 -0.562 1.00 15.00 H new ATOM 0 HA ILE A 5 -3.018 1.436 1.039 1.00 15.00 H new ATOM 0 HB ILE A 5 -5.502 2.245 -0.531 1.00 15.00 H new ATOM 0 HG12 ILE A 5 -6.162 3.371 1.387 1.00 15.00 H new ATOM 0 HG13 ILE A 5 -5.368 2.236 2.461 1.00 15.00 H new ATOM 0 HG21 ILE A 5 -6.750 0.634 0.890 1.00 15.00 H new ATOM 0 HG22 ILE A 5 -5.548 -0.200 -0.123 1.00 15.00 H new ATOM 0 HG23 ILE A 5 -5.217 0.080 1.604 1.00 15.00 H new ATOM 0 HD11 ILE A 5 -4.243 4.443 2.531 1.00 15.00 H new ATOM 0 HD12 ILE A 5 -3.145 3.209 1.868 1.00 15.00 H new ATOM 0 HD13 ILE A 5 -3.952 4.361 0.778 1.00 15.00 H new ATOM 104 N PHE A 6 -3.406 0.787 -2.108 1.00 15.00 N ATOM 105 CA PHE A 6 -3.134 -0.255 -3.137 1.00 15.00 C ATOM 106 C PHE A 6 -1.618 -0.413 -3.279 1.00 15.00 C ATOM 107 O PHE A 6 -1.106 -1.503 -3.425 1.00 15.00 O ATOM 108 CB PHE A 6 -3.755 0.278 -4.431 1.00 15.00 C ATOM 109 CG PHE A 6 -4.753 -0.723 -4.964 1.00 15.00 C ATOM 110 CD1 PHE A 6 -4.357 -2.044 -5.209 1.00 15.00 C ATOM 111 CD2 PHE A 6 -6.074 -0.332 -5.212 1.00 15.00 C ATOM 112 CE1 PHE A 6 -5.282 -2.972 -5.702 1.00 15.00 C ATOM 113 CE2 PHE A 6 -6.999 -1.260 -5.704 1.00 15.00 C ATOM 114 CZ PHE A 6 -6.602 -2.580 -5.950 1.00 15.00 C ATOM 0 H PHE A 6 -3.673 1.701 -2.474 1.00 15.00 H new ATOM 0 HA PHE A 6 -3.549 -1.230 -2.882 1.00 15.00 H new ATOM 0 HB2 PHE A 6 -4.247 1.233 -4.244 1.00 15.00 H new ATOM 0 HB3 PHE A 6 -2.976 0.460 -5.172 1.00 15.00 H new ATOM 0 HD1 PHE A 6 -3.338 -2.347 -5.018 1.00 15.00 H new ATOM 0 HD2 PHE A 6 -6.380 0.687 -5.024 1.00 15.00 H new ATOM 0 HE1 PHE A 6 -4.977 -3.991 -5.891 1.00 15.00 H new ATOM 0 HE2 PHE A 6 -8.018 -0.958 -5.894 1.00 15.00 H new ATOM 0 HZ PHE A 6 -7.315 -3.296 -6.331 1.00 15.00 H new ATOM 124 N PHE A 7 -0.902 0.680 -3.205 1.00 15.00 N ATOM 125 CA PHE A 7 0.588 0.624 -3.300 1.00 15.00 C ATOM 126 C PHE A 7 1.159 0.369 -1.910 1.00 15.00 C ATOM 127 O PHE A 7 2.056 -0.428 -1.728 1.00 15.00 O ATOM 128 CB PHE A 7 1.001 2.007 -3.801 1.00 15.00 C ATOM 129 CG PHE A 7 2.063 1.867 -4.865 1.00 15.00 C ATOM 130 CD1 PHE A 7 3.243 1.168 -4.587 1.00 15.00 C ATOM 131 CD2 PHE A 7 1.868 2.437 -6.128 1.00 15.00 C ATOM 132 CE1 PHE A 7 4.229 1.037 -5.573 1.00 15.00 C ATOM 133 CE2 PHE A 7 2.853 2.307 -7.115 1.00 15.00 C ATOM 134 CZ PHE A 7 4.034 1.607 -6.837 1.00 15.00 C ATOM 0 H PHE A 7 -1.289 1.616 -3.082 1.00 15.00 H new ATOM 0 HA PHE A 7 0.947 -0.166 -3.960 1.00 15.00 H new ATOM 0 HB2 PHE A 7 0.135 2.532 -4.205 1.00 15.00 H new ATOM 0 HB3 PHE A 7 1.379 2.606 -2.973 1.00 15.00 H new ATOM 0 HD1 PHE A 7 3.393 0.729 -3.612 1.00 15.00 H new ATOM 0 HD2 PHE A 7 0.958 2.977 -6.342 1.00 15.00 H new ATOM 0 HE1 PHE A 7 5.139 0.497 -5.359 1.00 15.00 H new ATOM 0 HE2 PHE A 7 2.702 2.746 -8.090 1.00 15.00 H new ATOM 0 HZ PHE A 7 4.794 1.507 -7.598 1.00 15.00 H new ATOM 144 N GLN A 8 0.620 1.028 -0.923 1.00 15.00 N ATOM 145 CA GLN A 8 1.085 0.814 0.471 1.00 15.00 C ATOM 146 C GLN A 8 1.004 -0.671 0.779 1.00 15.00 C ATOM 147 O GLN A 8 1.883 -1.246 1.379 1.00 15.00 O ATOM 148 CB GLN A 8 0.108 1.607 1.333 1.00 15.00 C ATOM 149 CG GLN A 8 0.338 3.101 1.094 1.00 15.00 C ATOM 150 CD GLN A 8 -0.354 3.912 2.193 1.00 15.00 C ATOM 151 OE1 GLN A 8 -1.220 3.410 2.881 1.00 15.00 O ATOM 152 NE2 GLN A 8 -0.003 5.154 2.388 1.00 15.00 N ATOM 0 H GLN A 8 -0.130 1.712 -1.026 1.00 15.00 H new ATOM 0 HA GLN A 8 2.112 1.134 0.645 1.00 15.00 H new ATOM 0 HB2 GLN A 8 -0.919 1.339 1.084 1.00 15.00 H new ATOM 0 HB3 GLN A 8 0.253 1.367 2.386 1.00 15.00 H new ATOM 0 HG2 GLN A 8 1.406 3.318 1.087 1.00 15.00 H new ATOM 0 HG3 GLN A 8 -0.052 3.387 0.117 1.00 15.00 H new ATOM 0 HE21 GLN A 8 0.724 5.575 1.810 1.00 15.00 H new ATOM 0 HE22 GLN A 8 -0.456 5.703 3.118 1.00 15.00 H new ATOM 161 N ASN A 9 -0.030 -1.308 0.311 1.00 15.00 N ATOM 162 CA ASN A 9 -0.163 -2.772 0.525 1.00 15.00 C ATOM 163 C ASN A 9 1.029 -3.485 -0.118 1.00 15.00 C ATOM 164 O ASN A 9 1.244 -4.666 0.073 1.00 15.00 O ATOM 165 CB ASN A 9 -1.451 -3.159 -0.195 1.00 15.00 C ATOM 166 CG ASN A 9 -1.776 -4.626 0.087 1.00 15.00 C ATOM 167 OD1 ASN A 9 -1.100 -5.515 -0.394 1.00 15.00 O ATOM 168 ND2 ASN A 9 -2.791 -4.921 0.854 1.00 15.00 N ATOM 0 H ASN A 9 -0.791 -0.876 -0.212 1.00 15.00 H new ATOM 0 HA ASN A 9 -0.187 -3.043 1.581 1.00 15.00 H new ATOM 0 HB2 ASN A 9 -2.271 -2.524 0.139 1.00 15.00 H new ATOM 0 HB3 ASN A 9 -1.342 -3.000 -1.268 1.00 15.00 H new ATOM 0 HD21 ASN A 9 -3.016 -5.896 1.049 1.00 15.00 H new ATOM 0 HD22 ASN A 9 -3.359 -4.176 1.258 1.00 15.00 H new ATOM 175 N ARG A 10 1.796 -2.764 -0.892 1.00 15.00 N ATOM 176 CA ARG A 10 2.970 -3.369 -1.574 1.00 15.00 C ATOM 177 C ARG A 10 4.212 -2.490 -1.388 1.00 15.00 C ATOM 178 O ARG A 10 5.242 -2.736 -1.985 1.00 15.00 O ATOM 179 CB ARG A 10 2.598 -3.438 -3.064 1.00 15.00 C ATOM 180 CG ARG A 10 1.183 -2.911 -3.284 1.00 15.00 C ATOM 181 CD ARG A 10 0.794 -3.079 -4.759 1.00 15.00 C ATOM 182 NE ARG A 10 0.026 -4.351 -4.842 1.00 15.00 N ATOM 183 CZ ARG A 10 0.399 -5.406 -4.164 1.00 15.00 C ATOM 184 NH1 ARG A 10 1.435 -6.100 -4.552 1.00 15.00 N ATOM 185 NH2 ARG A 10 -0.264 -5.766 -3.099 1.00 15.00 N ATOM 0 H ARG A 10 1.655 -1.772 -1.081 1.00 15.00 H new ATOM 0 HA ARG A 10 3.203 -4.352 -1.165 1.00 15.00 H new ATOM 0 HB2 ARG A 10 3.306 -2.852 -3.650 1.00 15.00 H new ATOM 0 HB3 ARG A 10 2.668 -4.467 -3.416 1.00 15.00 H new ATOM 0 HG2 ARG A 10 0.480 -3.450 -2.649 1.00 15.00 H new ATOM 0 HG3 ARG A 10 1.127 -1.860 -3.000 1.00 15.00 H new ATOM 0 HD2 ARG A 10 0.192 -2.237 -5.101 1.00 15.00 H new ATOM 0 HD3 ARG A 10 1.679 -3.116 -5.394 1.00 15.00 H new ATOM 0 HE ARG A 10 -0.802 -4.401 -5.435 1.00 15.00 H new ATOM 0 HH11 ARG A 10 1.954 -5.820 -5.384 1.00 15.00 H new ATOM 0 HH12 ARG A 10 1.725 -6.922 -4.023 1.00 15.00 H new ATOM 0 HH21 ARG A 10 -1.073 -5.225 -2.795 1.00 15.00 H new ATOM 0 HH22 ARG A 10 0.027 -6.589 -2.571 1.00 15.00 H new ATOM 199 N ARG A 11 4.136 -1.464 -0.572 1.00 15.00 N ATOM 200 CA ARG A 11 5.318 -0.595 -0.376 1.00 15.00 C ATOM 201 C ARG A 11 5.711 -0.614 1.092 1.00 15.00 C ATOM 202 O ARG A 11 6.869 -0.625 1.436 1.00 15.00 O ATOM 203 CB ARG A 11 4.855 0.792 -0.854 1.00 15.00 C ATOM 204 CG ARG A 11 4.321 1.650 0.286 1.00 15.00 C ATOM 205 CD ARG A 11 5.356 2.706 0.670 1.00 15.00 C ATOM 206 NE ARG A 11 6.621 1.967 0.909 1.00 15.00 N ATOM 207 CZ ARG A 11 7.308 2.170 2.002 1.00 15.00 C ATOM 208 NH1 ARG A 11 6.694 2.357 3.138 1.00 15.00 N ATOM 209 NH2 ARG A 11 8.613 2.187 1.957 1.00 15.00 N ATOM 0 H ARG A 11 3.307 -1.200 -0.040 1.00 15.00 H new ATOM 0 HA ARG A 11 6.203 -0.913 -0.926 1.00 15.00 H new ATOM 0 HB2 ARG A 11 5.689 1.306 -1.332 1.00 15.00 H new ATOM 0 HB3 ARG A 11 4.079 0.673 -1.610 1.00 15.00 H new ATOM 0 HG2 ARG A 11 3.391 2.132 -0.015 1.00 15.00 H new ATOM 0 HG3 ARG A 11 4.091 1.023 1.148 1.00 15.00 H new ATOM 0 HD2 ARG A 11 5.477 3.441 -0.125 1.00 15.00 H new ATOM 0 HD3 ARG A 11 5.047 3.250 1.563 1.00 15.00 H new ATOM 0 HE ARG A 11 6.956 1.297 0.216 1.00 15.00 H new ATOM 0 HH11 ARG A 11 5.675 2.345 3.175 1.00 15.00 H new ATOM 0 HH12 ARG A 11 7.233 2.515 3.989 1.00 15.00 H new ATOM 0 HH21 ARG A 11 9.095 2.042 1.070 1.00 15.00 H new ATOM 0 HH22 ARG A 11 9.151 2.345 2.809 1.00 15.00 H new ATOM 223 N MET A 12 4.739 -0.655 1.951 1.00 15.00 N ATOM 224 CA MET A 12 5.039 -0.714 3.412 1.00 15.00 C ATOM 225 C MET A 12 4.873 -2.155 3.865 1.00 15.00 C ATOM 226 O MET A 12 5.617 -2.650 4.687 1.00 15.00 O ATOM 227 CB MET A 12 4.054 0.216 4.123 1.00 15.00 C ATOM 228 CG MET A 12 2.731 0.240 3.390 1.00 15.00 C ATOM 229 SD MET A 12 1.399 0.621 4.556 1.00 15.00 S ATOM 230 CE MET A 12 1.714 2.398 4.687 1.00 15.00 C ATOM 0 H MET A 12 3.748 -0.650 1.710 1.00 15.00 H new ATOM 0 HA MET A 12 6.055 -0.394 3.642 1.00 15.00 H new ATOM 0 HB2 MET A 12 3.903 -0.119 5.149 1.00 15.00 H new ATOM 0 HB3 MET A 12 4.467 1.223 4.175 1.00 15.00 H new ATOM 0 HG2 MET A 12 2.757 0.986 2.596 1.00 15.00 H new ATOM 0 HG3 MET A 12 2.549 -0.724 2.916 1.00 15.00 H new ATOM 0 HE1 MET A 12 0.877 2.880 5.193 1.00 15.00 H new ATOM 0 HE2 MET A 12 2.628 2.564 5.258 1.00 15.00 H new ATOM 0 HE3 MET A 12 1.827 2.822 3.689 1.00 15.00 H new ATOM 240 N LYS A 13 3.938 -2.855 3.276 1.00 15.00 N ATOM 241 CA LYS A 13 3.772 -4.288 3.611 1.00 15.00 C ATOM 242 C LYS A 13 4.950 -5.029 2.978 1.00 15.00 C ATOM 243 O LYS A 13 5.242 -6.167 3.283 1.00 15.00 O ATOM 244 CB LYS A 13 2.464 -4.722 2.959 1.00 15.00 C ATOM 245 CG LYS A 13 1.353 -3.679 3.160 1.00 15.00 C ATOM 246 CD LYS A 13 1.402 -3.025 4.549 1.00 15.00 C ATOM 247 CE LYS A 13 0.470 -3.775 5.505 1.00 15.00 C ATOM 248 NZ LYS A 13 0.986 -5.173 5.537 1.00 15.00 N ATOM 0 H LYS A 13 3.287 -2.491 2.580 1.00 15.00 H new ATOM 0 HA LYS A 13 3.747 -4.487 4.682 1.00 15.00 H new ATOM 0 HB2 LYS A 13 2.625 -4.881 1.893 1.00 15.00 H new ATOM 0 HB3 LYS A 13 2.147 -5.676 3.380 1.00 15.00 H new ATOM 0 HG2 LYS A 13 1.442 -2.907 2.396 1.00 15.00 H new ATOM 0 HG3 LYS A 13 0.383 -4.156 3.021 1.00 15.00 H new ATOM 0 HD2 LYS A 13 2.422 -3.040 4.933 1.00 15.00 H new ATOM 0 HD3 LYS A 13 1.103 -1.979 4.480 1.00 15.00 H new ATOM 0 HE2 LYS A 13 0.483 -3.328 6.499 1.00 15.00 H new ATOM 0 HE3 LYS A 13 -0.562 -3.744 5.154 1.00 15.00 H new ATOM 0 HZ1 LYS A 13 0.724 -5.619 6.439 1.00 15.00 H new ATOM 0 HZ2 LYS A 13 0.573 -5.714 4.750 1.00 15.00 H new ATOM 0 HZ3 LYS A 13 2.022 -5.163 5.444 1.00 15.00 H new ATOM 262 N PHE A 14 5.632 -4.344 2.097 1.00 15.00 N ATOM 263 CA PHE A 14 6.813 -4.910 1.409 1.00 15.00 C ATOM 264 C PHE A 14 7.990 -4.921 2.378 1.00 15.00 C ATOM 265 O PHE A 14 8.981 -5.592 2.166 1.00 15.00 O ATOM 266 CB PHE A 14 7.061 -3.934 0.254 1.00 15.00 C ATOM 267 CG PHE A 14 7.207 -4.700 -1.039 1.00 15.00 C ATOM 268 CD1 PHE A 14 6.097 -5.343 -1.602 1.00 15.00 C ATOM 269 CD2 PHE A 14 8.451 -4.767 -1.676 1.00 15.00 C ATOM 270 CE1 PHE A 14 6.233 -6.053 -2.800 1.00 15.00 C ATOM 271 CE2 PHE A 14 8.587 -5.476 -2.875 1.00 15.00 C ATOM 272 CZ PHE A 14 7.478 -6.119 -3.438 1.00 15.00 C ATOM 0 H PHE A 14 5.406 -3.388 1.823 1.00 15.00 H new ATOM 0 HA PHE A 14 6.676 -5.933 1.058 1.00 15.00 H new ATOM 0 HB2 PHE A 14 6.234 -3.228 0.178 1.00 15.00 H new ATOM 0 HB3 PHE A 14 7.961 -3.350 0.446 1.00 15.00 H new ATOM 0 HD1 PHE A 14 5.136 -5.291 -1.111 1.00 15.00 H new ATOM 0 HD2 PHE A 14 9.307 -4.271 -1.242 1.00 15.00 H new ATOM 0 HE1 PHE A 14 5.378 -6.550 -3.233 1.00 15.00 H new ATOM 0 HE2 PHE A 14 9.548 -5.527 -3.366 1.00 15.00 H new ATOM 0 HZ PHE A 14 7.583 -6.666 -4.364 1.00 15.00 H new ATOM 282 N LYS A 15 7.876 -4.182 3.449 1.00 15.00 N ATOM 283 CA LYS A 15 8.972 -4.142 4.453 1.00 15.00 C ATOM 284 C LYS A 15 8.381 -4.131 5.862 1.00 15.00 C ATOM 285 O LYS A 15 9.080 -3.975 6.843 1.00 15.00 O ATOM 286 CB LYS A 15 9.726 -2.840 4.179 1.00 15.00 C ATOM 287 CG LYS A 15 8.744 -1.667 4.099 1.00 15.00 C ATOM 288 CD LYS A 15 9.036 -0.843 2.844 1.00 15.00 C ATOM 289 CE LYS A 15 10.483 -0.336 2.872 1.00 15.00 C ATOM 290 NZ LYS A 15 11.059 -0.736 1.558 1.00 15.00 N ATOM 0 H LYS A 15 7.066 -3.603 3.670 1.00 15.00 H new ATOM 0 HA LYS A 15 9.629 -5.009 4.382 1.00 15.00 H new ATOM 0 HB2 LYS A 15 10.455 -2.660 4.969 1.00 15.00 H new ATOM 0 HB3 LYS A 15 10.282 -2.923 3.245 1.00 15.00 H new ATOM 0 HG2 LYS A 15 7.719 -2.038 4.073 1.00 15.00 H new ATOM 0 HG3 LYS A 15 8.835 -1.042 4.987 1.00 15.00 H new ATOM 0 HD2 LYS A 15 8.872 -1.451 1.954 1.00 15.00 H new ATOM 0 HD3 LYS A 15 8.348 0.000 2.785 1.00 15.00 H new ATOM 0 HE2 LYS A 15 10.520 0.745 3.006 1.00 15.00 H new ATOM 0 HE3 LYS A 15 11.040 -0.778 3.698 1.00 15.00 H new ATOM 0 HZ1 LYS A 15 12.049 -0.423 1.503 1.00 15.00 H new ATOM 0 HZ2 LYS A 15 11.017 -1.771 1.461 1.00 15.00 H new ATOM 0 HZ3 LYS A 15 10.513 -0.294 0.791 1.00 15.00 H new ATOM 304 N LYS A 16 7.090 -4.283 5.960 1.00 15.00 N ATOM 305 CA LYS A 16 6.420 -4.273 7.276 1.00 15.00 C ATOM 306 C LYS A 16 7.057 -5.294 8.224 1.00 15.00 C ATOM 307 O LYS A 16 6.687 -5.305 9.386 1.00 15.00 O ATOM 308 CB LYS A 16 4.961 -4.607 6.953 1.00 15.00 C ATOM 309 CG LYS A 16 4.865 -5.972 6.267 1.00 15.00 C ATOM 310 CD LYS A 16 5.206 -7.067 7.269 1.00 15.00 C ATOM 311 CE LYS A 16 4.232 -8.239 7.114 1.00 15.00 C ATOM 312 NZ LYS A 16 4.986 -9.266 6.343 1.00 15.00 N ATOM 313 OXT LYS A 16 7.901 -6.049 7.769 1.00 15.00 O ATOM 0 H LYS A 16 6.465 -4.416 5.165 1.00 15.00 H new ATOM 0 HA LYS A 16 6.509 -3.318 7.794 1.00 15.00 H new ATOM 0 HB2 LYS A 16 4.371 -4.611 7.869 1.00 15.00 H new ATOM 0 HB3 LYS A 16 4.540 -3.837 6.306 1.00 15.00 H new ATOM 0 HG2 LYS A 16 3.860 -6.124 5.874 1.00 15.00 H new ATOM 0 HG3 LYS A 16 5.549 -6.014 5.419 1.00 15.00 H new ATOM 0 HD2 LYS A 16 6.229 -7.410 7.112 1.00 15.00 H new ATOM 0 HD3 LYS A 16 5.155 -6.672 8.284 1.00 15.00 H new ATOM 0 HE2 LYS A 16 3.920 -8.624 8.085 1.00 15.00 H new ATOM 0 HE3 LYS A 16 3.328 -7.934 6.587 1.00 15.00 H new ATOM 0 HZ1 LYS A 16 4.384 -10.101 6.196 1.00 15.00 H new ATOM 0 HZ2 LYS A 16 5.264 -8.873 5.421 1.00 15.00 H new ATOM 0 HZ3 LYS A 16 5.837 -9.542 6.873 1.00 15.00 H new