USER MOD reduce.3.24.130724 H: found=0, std=0, add=138, rem=0, adj=6 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 :FLIP amide:sc= -1.73 F(o=-5.6!,f=-2.6) USER MOD Set 1.2: A 12 MET CE :methyl 150:sc= -0.839 (180deg=-1.43) USER MOD Single : A 4 LYS NZ :NH3+ 162:sc= 0 (180deg=-0.416) USER MOD Single : A 9 ASN : amide:sc= -0.0375 X(o=-0.037,f=-0.031) USER MOD Single : A 13 LYS NZ :NH3+ 164:sc= -0.263 (180deg=-0.613) USER MOD Single : A 15 LYS NZ :NH3+ -132:sc= 0 (180deg=-0.0236) USER MOD Single : A 16 LYS NZ :NH3+ 161:sc= 0 (180deg=-0.246) USER MOD ----------------------------------------------------------------- ATOM 63 N LYS A 4 -2.985 4.876 -2.590 1.00 15.00 N ATOM 64 CA LYS A 4 -1.695 4.383 -2.061 1.00 15.00 C ATOM 65 C LYS A 4 -1.928 3.081 -1.324 1.00 15.00 C ATOM 66 O LYS A 4 -1.130 2.177 -1.377 1.00 15.00 O ATOM 67 CB LYS A 4 -1.229 5.455 -1.077 1.00 15.00 C ATOM 68 CG LYS A 4 -0.353 6.456 -1.803 1.00 15.00 C ATOM 69 CD LYS A 4 -1.226 7.273 -2.727 1.00 15.00 C ATOM 70 CE LYS A 4 -0.499 8.558 -3.132 1.00 15.00 C ATOM 71 NZ LYS A 4 0.686 8.099 -3.910 1.00 15.00 N ATOM 0 HA LYS A 4 -0.961 4.205 -2.847 1.00 15.00 H new ATOM 0 HB2 LYS A 4 -2.089 5.959 -0.637 1.00 15.00 H new ATOM 0 HB3 LYS A 4 -0.675 4.997 -0.258 1.00 15.00 H new ATOM 0 HG2 LYS A 4 0.154 7.105 -1.088 1.00 15.00 H new ATOM 0 HG3 LYS A 4 0.422 5.940 -2.371 1.00 15.00 H new ATOM 0 HD2 LYS A 4 -1.475 6.691 -3.614 1.00 15.00 H new ATOM 0 HD3 LYS A 4 -2.166 7.517 -2.232 1.00 15.00 H new ATOM 0 HE2 LYS A 4 -1.141 9.202 -3.733 1.00 15.00 H new ATOM 0 HE3 LYS A 4 -0.198 9.134 -2.257 1.00 15.00 H new ATOM 0 HZ1 LYS A 4 1.060 8.890 -4.472 1.00 15.00 H new ATOM 0 HZ2 LYS A 4 1.421 7.761 -3.256 1.00 15.00 H new ATOM 0 HZ3 LYS A 4 0.405 7.325 -4.546 1.00 15.00 H new ATOM 85 N ILE A 5 -3.032 2.976 -0.647 1.00 15.00 N ATOM 86 CA ILE A 5 -3.345 1.728 0.089 1.00 15.00 C ATOM 87 C ILE A 5 -3.192 0.566 -0.876 1.00 15.00 C ATOM 88 O ILE A 5 -2.817 -0.530 -0.513 1.00 15.00 O ATOM 89 CB ILE A 5 -4.794 1.909 0.514 1.00 15.00 C ATOM 90 CG1 ILE A 5 -4.866 2.878 1.698 1.00 15.00 C ATOM 91 CG2 ILE A 5 -5.389 0.561 0.933 1.00 15.00 C ATOM 92 CD1 ILE A 5 -3.681 3.858 1.707 1.00 15.00 C ATOM 0 H ILE A 5 -3.737 3.709 -0.572 1.00 15.00 H new ATOM 0 HA ILE A 5 -2.701 1.531 0.946 1.00 15.00 H new ATOM 0 HB ILE A 5 -5.361 2.310 -0.326 1.00 15.00 H new ATOM 0 HG12 ILE A 5 -5.800 3.438 1.653 1.00 15.00 H new ATOM 0 HG13 ILE A 5 -4.877 2.313 2.630 1.00 15.00 H new ATOM 0 HG21 ILE A 5 -6.427 0.700 1.236 1.00 15.00 H new ATOM 0 HG22 ILE A 5 -5.346 -0.133 0.093 1.00 15.00 H new ATOM 0 HG23 ILE A 5 -4.818 0.155 1.768 1.00 15.00 H new ATOM 0 HD11 ILE A 5 -3.769 4.528 2.562 1.00 15.00 H new ATOM 0 HD12 ILE A 5 -2.748 3.300 1.779 1.00 15.00 H new ATOM 0 HD13 ILE A 5 -3.685 4.442 0.787 1.00 15.00 H new ATOM 104 N PHE A 6 -3.451 0.837 -2.119 1.00 15.00 N ATOM 105 CA PHE A 6 -3.292 -0.217 -3.160 1.00 15.00 C ATOM 106 C PHE A 6 -1.796 -0.455 -3.364 1.00 15.00 C ATOM 107 O PHE A 6 -1.343 -1.570 -3.534 1.00 15.00 O ATOM 108 CB PHE A 6 -3.936 0.356 -4.426 1.00 15.00 C ATOM 109 CG PHE A 6 -4.914 -0.644 -4.992 1.00 15.00 C ATOM 110 CD1 PHE A 6 -4.465 -1.898 -5.422 1.00 15.00 C ATOM 111 CD2 PHE A 6 -6.273 -0.318 -5.087 1.00 15.00 C ATOM 112 CE1 PHE A 6 -5.372 -2.826 -5.946 1.00 15.00 C ATOM 113 CE2 PHE A 6 -7.181 -1.246 -5.612 1.00 15.00 C ATOM 114 CZ PHE A 6 -6.730 -2.500 -6.042 1.00 15.00 C ATOM 0 H PHE A 6 -3.767 1.744 -2.464 1.00 15.00 H new ATOM 0 HA PHE A 6 -3.755 -1.167 -2.892 1.00 15.00 H new ATOM 0 HB2 PHE A 6 -4.448 1.290 -4.195 1.00 15.00 H new ATOM 0 HB3 PHE A 6 -3.168 0.587 -5.164 1.00 15.00 H new ATOM 0 HD1 PHE A 6 -3.417 -2.150 -5.349 1.00 15.00 H new ATOM 0 HD2 PHE A 6 -6.621 0.649 -4.755 1.00 15.00 H new ATOM 0 HE1 PHE A 6 -5.024 -3.794 -6.276 1.00 15.00 H new ATOM 0 HE2 PHE A 6 -8.229 -0.995 -5.685 1.00 15.00 H new ATOM 0 HZ PHE A 6 -7.430 -3.216 -6.448 1.00 15.00 H new ATOM 124 N PHE A 7 -1.030 0.601 -3.310 1.00 15.00 N ATOM 125 CA PHE A 7 0.446 0.479 -3.457 1.00 15.00 C ATOM 126 C PHE A 7 1.055 0.212 -2.087 1.00 15.00 C ATOM 127 O PHE A 7 1.784 -0.734 -1.908 1.00 15.00 O ATOM 128 CB PHE A 7 0.906 1.833 -4.002 1.00 15.00 C ATOM 129 CG PHE A 7 1.556 1.649 -5.354 1.00 15.00 C ATOM 130 CD1 PHE A 7 2.550 0.677 -5.530 1.00 15.00 C ATOM 131 CD2 PHE A 7 1.165 2.452 -6.432 1.00 15.00 C ATOM 132 CE1 PHE A 7 3.150 0.509 -6.784 1.00 15.00 C ATOM 133 CE2 PHE A 7 1.767 2.283 -7.685 1.00 15.00 C ATOM 134 CZ PHE A 7 2.759 1.312 -7.861 1.00 15.00 C ATOM 0 H PHE A 7 -1.369 1.553 -3.169 1.00 15.00 H new ATOM 0 HA PHE A 7 0.745 -0.335 -4.117 1.00 15.00 H new ATOM 0 HB2 PHE A 7 0.055 2.509 -4.087 1.00 15.00 H new ATOM 0 HB3 PHE A 7 1.611 2.293 -3.309 1.00 15.00 H new ATOM 0 HD1 PHE A 7 2.853 0.058 -4.699 1.00 15.00 H new ATOM 0 HD2 PHE A 7 0.399 3.202 -6.297 1.00 15.00 H new ATOM 0 HE1 PHE A 7 3.915 -0.241 -6.920 1.00 15.00 H new ATOM 0 HE2 PHE A 7 1.465 2.903 -8.516 1.00 15.00 H new ATOM 0 HZ PHE A 7 3.223 1.182 -8.828 1.00 15.00 H new ATOM 144 N GLN A 8 0.743 1.030 -1.113 1.00 15.00 N ATOM 145 CA GLN A 8 1.276 0.806 0.262 1.00 15.00 C ATOM 146 C GLN A 8 1.161 -0.679 0.595 1.00 15.00 C ATOM 147 O GLN A 8 2.027 -1.262 1.211 1.00 15.00 O ATOM 148 CB GLN A 8 0.376 1.645 1.167 1.00 15.00 C ATOM 149 CG GLN A 8 0.595 3.129 0.864 1.00 15.00 C ATOM 150 CD GLN A 8 0.145 3.982 2.056 1.00 15.00 C ATOM 151 OE1 GLN A 8 -0.799 3.545 2.847 1.00 15.00 O flip ATOM 152 NE2 GLN A 8 0.661 5.060 2.271 1.00 15.00 N flip ATOM 0 H GLN A 8 0.139 1.846 -1.213 1.00 15.00 H new ATOM 0 HA GLN A 8 2.323 1.086 0.376 1.00 15.00 H new ATOM 0 HB2 GLN A 8 -0.669 1.380 1.006 1.00 15.00 H new ATOM 0 HB3 GLN A 8 0.600 1.439 2.214 1.00 15.00 H new ATOM 0 HG2 GLN A 8 1.648 3.313 0.652 1.00 15.00 H new ATOM 0 HG3 GLN A 8 0.036 3.412 -0.028 1.00 15.00 H new ATOM 0 HE21 GLN A 8 1.398 5.404 1.656 1.00 15.00 H new ATOM 0 HE22 GLN A 8 0.357 5.621 3.067 1.00 15.00 H new ATOM 161 N ASN A 9 0.118 -1.308 0.123 1.00 15.00 N ATOM 162 CA ASN A 9 -0.048 -2.773 0.347 1.00 15.00 C ATOM 163 C ASN A 9 1.149 -3.513 -0.258 1.00 15.00 C ATOM 164 O ASN A 9 1.336 -4.697 -0.056 1.00 15.00 O ATOM 165 CB ASN A 9 -1.329 -3.144 -0.398 1.00 15.00 C ATOM 166 CG ASN A 9 -1.672 -4.610 -0.125 1.00 15.00 C ATOM 167 OD1 ASN A 9 -2.275 -4.927 0.881 1.00 15.00 O ATOM 168 ND2 ASN A 9 -1.311 -5.522 -0.985 1.00 15.00 N ATOM 0 H ASN A 9 -0.630 -0.867 -0.411 1.00 15.00 H new ATOM 0 HA ASN A 9 -0.103 -3.035 1.404 1.00 15.00 H new ATOM 0 HB2 ASN A 9 -2.149 -2.502 -0.076 1.00 15.00 H new ATOM 0 HB3 ASN A 9 -1.199 -2.983 -1.468 1.00 15.00 H new ATOM 0 HD21 ASN A 9 -1.535 -6.502 -0.813 1.00 15.00 H new ATOM 0 HD22 ASN A 9 -0.805 -5.255 -1.829 1.00 15.00 H new ATOM 175 N ARG A 10 1.950 -2.808 -1.011 1.00 15.00 N ATOM 176 CA ARG A 10 3.138 -3.425 -1.660 1.00 15.00 C ATOM 177 C ARG A 10 4.396 -2.598 -1.353 1.00 15.00 C ATOM 178 O ARG A 10 5.472 -2.897 -1.825 1.00 15.00 O ATOM 179 CB ARG A 10 2.854 -3.401 -3.171 1.00 15.00 C ATOM 180 CG ARG A 10 1.371 -3.150 -3.437 1.00 15.00 C ATOM 181 CD ARG A 10 1.001 -3.665 -4.831 1.00 15.00 C ATOM 182 NE ARG A 10 1.822 -2.881 -5.763 1.00 15.00 N ATOM 183 CZ ARG A 10 2.008 -3.294 -6.987 1.00 15.00 C ATOM 184 NH1 ARG A 10 2.788 -4.314 -7.221 1.00 15.00 N ATOM 185 NH2 ARG A 10 1.414 -2.687 -7.978 1.00 15.00 N ATOM 0 H ARG A 10 1.827 -1.814 -1.206 1.00 15.00 H new ATOM 0 HA ARG A 10 3.310 -4.438 -1.297 1.00 15.00 H new ATOM 0 HB2 ARG A 10 3.451 -2.622 -3.646 1.00 15.00 H new ATOM 0 HB3 ARG A 10 3.153 -4.349 -3.618 1.00 15.00 H new ATOM 0 HG2 ARG A 10 0.766 -3.652 -2.681 1.00 15.00 H new ATOM 0 HG3 ARG A 10 1.154 -2.084 -3.363 1.00 15.00 H new ATOM 0 HD2 ARG A 10 1.209 -4.731 -4.925 1.00 15.00 H new ATOM 0 HD3 ARG A 10 -0.062 -3.528 -5.032 1.00 15.00 H new ATOM 0 HE ARG A 10 2.249 -2.009 -5.452 1.00 15.00 H new ATOM 0 HH11 ARG A 10 3.253 -4.789 -6.447 1.00 15.00 H new ATOM 0 HH12 ARG A 10 2.933 -4.636 -8.178 1.00 15.00 H new ATOM 0 HH21 ARG A 10 0.804 -1.890 -7.796 1.00 15.00 H new ATOM 0 HH22 ARG A 10 1.559 -3.010 -8.935 1.00 15.00 H new ATOM 199 N ARG A 11 4.262 -1.551 -0.578 1.00 15.00 N ATOM 200 CA ARG A 11 5.433 -0.690 -0.247 1.00 15.00 C ATOM 201 C ARG A 11 5.687 -0.770 1.241 1.00 15.00 C ATOM 202 O ARG A 11 6.790 -1.007 1.694 1.00 15.00 O ATOM 203 CB ARG A 11 5.012 0.737 -0.609 1.00 15.00 C ATOM 204 CG ARG A 11 4.019 0.720 -1.756 1.00 15.00 C ATOM 205 CD ARG A 11 4.480 1.679 -2.851 1.00 15.00 C ATOM 206 NE ARG A 11 4.583 2.998 -2.181 1.00 15.00 N ATOM 207 CZ ARG A 11 4.038 4.054 -2.720 1.00 15.00 C ATOM 208 NH1 ARG A 11 2.805 4.370 -2.432 1.00 15.00 N ATOM 209 NH2 ARG A 11 4.725 4.793 -3.546 1.00 15.00 N ATOM 0 H ARG A 11 3.381 -1.255 -0.157 1.00 15.00 H new ATOM 0 HA ARG A 11 6.335 -0.995 -0.778 1.00 15.00 H new ATOM 0 HB2 ARG A 11 4.566 1.223 0.259 1.00 15.00 H new ATOM 0 HB3 ARG A 11 5.889 1.322 -0.887 1.00 15.00 H new ATOM 0 HG2 ARG A 11 3.930 -0.289 -2.157 1.00 15.00 H new ATOM 0 HG3 ARG A 11 3.031 1.009 -1.398 1.00 15.00 H new ATOM 0 HD2 ARG A 11 5.439 1.371 -3.268 1.00 15.00 H new ATOM 0 HD3 ARG A 11 3.768 1.709 -3.676 1.00 15.00 H new ATOM 0 HE ARG A 11 5.082 3.080 -1.295 1.00 15.00 H new ATOM 0 HH11 ARG A 11 2.268 3.792 -1.786 1.00 15.00 H new ATOM 0 HH12 ARG A 11 2.378 5.195 -2.853 1.00 15.00 H new ATOM 0 HH21 ARG A 11 5.689 4.546 -3.771 1.00 15.00 H new ATOM 0 HH22 ARG A 11 4.299 5.618 -3.967 1.00 15.00 H new ATOM 223 N MET A 12 4.653 -0.586 2.003 1.00 15.00 N ATOM 224 CA MET A 12 4.816 -0.667 3.483 1.00 15.00 C ATOM 225 C MET A 12 4.675 -2.116 3.915 1.00 15.00 C ATOM 226 O MET A 12 5.330 -2.570 4.832 1.00 15.00 O ATOM 227 CB MET A 12 3.741 0.206 4.123 1.00 15.00 C ATOM 228 CG MET A 12 2.421 0.009 3.420 1.00 15.00 C ATOM 229 SD MET A 12 1.069 0.484 4.529 1.00 15.00 S ATOM 230 CE MET A 12 1.437 2.255 4.587 1.00 15.00 C ATOM 0 H MET A 12 3.709 -0.385 1.674 1.00 15.00 H new ATOM 0 HA MET A 12 5.798 -0.312 3.795 1.00 15.00 H new ATOM 0 HB2 MET A 12 3.640 -0.045 5.179 1.00 15.00 H new ATOM 0 HB3 MET A 12 4.036 1.254 4.071 1.00 15.00 H new ATOM 0 HG2 MET A 12 2.388 0.609 2.511 1.00 15.00 H new ATOM 0 HG3 MET A 12 2.309 -1.032 3.118 1.00 15.00 H new ATOM 0 HE1 MET A 12 0.513 2.814 4.738 1.00 15.00 H new ATOM 0 HE2 MET A 12 2.123 2.457 5.410 1.00 15.00 H new ATOM 0 HE3 MET A 12 1.897 2.562 3.648 1.00 15.00 H new ATOM 240 N LYS A 13 3.867 -2.863 3.226 1.00 15.00 N ATOM 241 CA LYS A 13 3.739 -4.299 3.558 1.00 15.00 C ATOM 242 C LYS A 13 4.945 -5.021 2.964 1.00 15.00 C ATOM 243 O LYS A 13 5.181 -6.189 3.203 1.00 15.00 O ATOM 244 CB LYS A 13 2.456 -4.767 2.886 1.00 15.00 C ATOM 245 CG LYS A 13 1.334 -3.735 3.044 1.00 15.00 C ATOM 246 CD LYS A 13 1.293 -3.137 4.457 1.00 15.00 C ATOM 247 CE LYS A 13 0.458 -4.038 5.370 1.00 15.00 C ATOM 248 NZ LYS A 13 1.442 -4.959 6.004 1.00 15.00 N ATOM 0 H LYS A 13 3.291 -2.540 2.448 1.00 15.00 H new ATOM 0 HA LYS A 13 3.705 -4.492 4.630 1.00 15.00 H new ATOM 0 HB2 LYS A 13 2.642 -4.945 1.827 1.00 15.00 H new ATOM 0 HB3 LYS A 13 2.142 -5.717 3.319 1.00 15.00 H new ATOM 0 HG2 LYS A 13 1.473 -2.935 2.316 1.00 15.00 H new ATOM 0 HG3 LYS A 13 0.376 -4.205 2.822 1.00 15.00 H new ATOM 0 HD2 LYS A 13 2.304 -3.039 4.851 1.00 15.00 H new ATOM 0 HD3 LYS A 13 0.865 -2.135 4.427 1.00 15.00 H new ATOM 0 HE2 LYS A 13 -0.076 -3.454 6.119 1.00 15.00 H new ATOM 0 HE3 LYS A 13 -0.291 -4.590 4.802 1.00 15.00 H new ATOM 0 HZ1 LYS A 13 1.006 -5.417 6.830 1.00 15.00 H new ATOM 0 HZ2 LYS A 13 1.731 -5.685 5.317 1.00 15.00 H new ATOM 0 HZ3 LYS A 13 2.277 -4.419 6.308 1.00 15.00 H new ATOM 262 N PHE A 14 5.714 -4.301 2.191 1.00 15.00 N ATOM 263 CA PHE A 14 6.921 -4.872 1.558 1.00 15.00 C ATOM 264 C PHE A 14 8.033 -4.963 2.590 1.00 15.00 C ATOM 265 O PHE A 14 8.967 -5.731 2.457 1.00 15.00 O ATOM 266 CB PHE A 14 7.282 -3.852 0.478 1.00 15.00 C ATOM 267 CG PHE A 14 7.891 -4.536 -0.737 1.00 15.00 C ATOM 268 CD1 PHE A 14 8.355 -5.862 -0.664 1.00 15.00 C ATOM 269 CD2 PHE A 14 7.997 -3.832 -1.944 1.00 15.00 C ATOM 270 CE1 PHE A 14 8.916 -6.472 -1.792 1.00 15.00 C ATOM 271 CE2 PHE A 14 8.559 -4.445 -3.070 1.00 15.00 C ATOM 272 CZ PHE A 14 9.018 -5.764 -2.994 1.00 15.00 C ATOM 0 H PHE A 14 5.545 -3.319 1.972 1.00 15.00 H new ATOM 0 HA PHE A 14 6.769 -5.873 1.154 1.00 15.00 H new ATOM 0 HB2 PHE A 14 6.390 -3.301 0.180 1.00 15.00 H new ATOM 0 HB3 PHE A 14 7.986 -3.124 0.881 1.00 15.00 H new ATOM 0 HD1 PHE A 14 8.278 -6.410 0.263 1.00 15.00 H new ATOM 0 HD2 PHE A 14 7.644 -2.813 -2.006 1.00 15.00 H new ATOM 0 HE1 PHE A 14 9.271 -7.491 -1.734 1.00 15.00 H new ATOM 0 HE2 PHE A 14 8.638 -3.899 -3.998 1.00 15.00 H new ATOM 0 HZ PHE A 14 9.451 -6.236 -3.864 1.00 15.00 H new ATOM 282 N LYS A 15 7.935 -4.173 3.617 1.00 15.00 N ATOM 283 CA LYS A 15 8.980 -4.189 4.673 1.00 15.00 C ATOM 284 C LYS A 15 8.311 -4.185 6.045 1.00 15.00 C ATOM 285 O LYS A 15 8.955 -4.072 7.069 1.00 15.00 O ATOM 286 CB LYS A 15 9.800 -2.908 4.461 1.00 15.00 C ATOM 287 CG LYS A 15 8.976 -1.879 3.686 1.00 15.00 C ATOM 288 CD LYS A 15 7.860 -1.359 4.577 1.00 15.00 C ATOM 289 CE LYS A 15 7.943 0.168 4.672 1.00 15.00 C ATOM 290 NZ LYS A 15 9.085 0.434 5.591 1.00 15.00 N ATOM 0 H LYS A 15 7.173 -3.513 3.772 1.00 15.00 H new ATOM 0 HA LYS A 15 9.614 -5.074 4.621 1.00 15.00 H new ATOM 0 HB2 LYS A 15 10.099 -2.495 5.424 1.00 15.00 H new ATOM 0 HB3 LYS A 15 10.715 -3.139 3.915 1.00 15.00 H new ATOM 0 HG2 LYS A 15 9.612 -1.056 3.362 1.00 15.00 H new ATOM 0 HG3 LYS A 15 8.558 -2.332 2.787 1.00 15.00 H new ATOM 0 HD2 LYS A 15 6.892 -1.656 4.174 1.00 15.00 H new ATOM 0 HD3 LYS A 15 7.940 -1.800 5.571 1.00 15.00 H new ATOM 0 HE2 LYS A 15 8.111 0.616 3.693 1.00 15.00 H new ATOM 0 HE3 LYS A 15 7.016 0.591 5.061 1.00 15.00 H new ATOM 0 HZ1 LYS A 15 8.799 1.131 6.308 1.00 15.00 H new ATOM 0 HZ2 LYS A 15 9.366 -0.450 6.060 1.00 15.00 H new ATOM 0 HZ3 LYS A 15 9.889 0.808 5.047 1.00 15.00 H new ATOM 304 N LYS A 16 7.013 -4.299 6.059 1.00 15.00 N ATOM 305 CA LYS A 16 6.260 -4.297 7.331 1.00 15.00 C ATOM 306 C LYS A 16 6.843 -5.314 8.317 1.00 15.00 C ATOM 307 O LYS A 16 7.683 -6.096 7.905 1.00 15.00 O ATOM 308 CB LYS A 16 4.828 -4.644 6.913 1.00 15.00 C ATOM 309 CG LYS A 16 4.792 -5.997 6.197 1.00 15.00 C ATOM 310 CD LYS A 16 5.089 -7.108 7.196 1.00 15.00 C ATOM 311 CE LYS A 16 4.125 -8.277 6.976 1.00 15.00 C ATOM 312 NZ LYS A 16 4.481 -8.820 5.636 1.00 15.00 N ATOM 313 OXT LYS A 16 6.437 -5.293 9.467 1.00 15.00 O ATOM 0 H LYS A 16 6.436 -4.395 5.223 1.00 15.00 H new ATOM 0 HA LYS A 16 6.308 -3.343 7.855 1.00 15.00 H new ATOM 0 HB2 LYS A 16 4.183 -4.673 7.791 1.00 15.00 H new ATOM 0 HB3 LYS A 16 4.436 -3.868 6.256 1.00 15.00 H new ATOM 0 HG2 LYS A 16 3.814 -6.154 5.742 1.00 15.00 H new ATOM 0 HG3 LYS A 16 5.525 -6.013 5.390 1.00 15.00 H new ATOM 0 HD2 LYS A 16 6.118 -7.447 7.081 1.00 15.00 H new ATOM 0 HD3 LYS A 16 4.990 -6.730 8.214 1.00 15.00 H new ATOM 0 HE2 LYS A 16 4.238 -9.034 7.752 1.00 15.00 H new ATOM 0 HE3 LYS A 16 3.087 -7.944 7.005 1.00 15.00 H new ATOM 0 HZ1 LYS A 16 4.111 -9.787 5.544 1.00 15.00 H new ATOM 0 HZ2 LYS A 16 4.066 -8.218 4.896 1.00 15.00 H new ATOM 0 HZ3 LYS A 16 5.516 -8.834 5.531 1.00 15.00 H new