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= -2.7 K(o=-2.7,f=-4.5!) USER MOD Set 1.2: A 12 MET CE :methyl 161:sc= -0.0112 (180deg=-0.756) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 ASN : amide:sc= -0.955 K(o=-0.96,f=-2.9!) USER MOD Single : A 13 LYS NZ :NH3+ 149:sc= -0.299 (180deg=-1.77!) USER MOD Single : A 15 LYS NZ :NH3+ -131:sc= -0.0236 (180deg=-0.323) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 63 N LYS A 4 -2.917 4.882 -2.578 1.00 15.00 N ATOM 64 CA LYS A 4 -1.638 4.356 -2.044 1.00 15.00 C ATOM 65 C LYS A 4 -1.900 3.057 -1.308 1.00 15.00 C ATOM 66 O LYS A 4 -1.115 2.141 -1.356 1.00 15.00 O ATOM 67 CB LYS A 4 -1.136 5.426 -1.076 1.00 15.00 C ATOM 68 CG LYS A 4 -0.331 6.458 -1.847 1.00 15.00 C ATOM 69 CD LYS A 4 -1.255 7.171 -2.816 1.00 15.00 C ATOM 70 CE LYS A 4 -0.621 8.494 -3.254 1.00 15.00 C ATOM 71 NZ LYS A 4 -1.059 9.485 -2.231 1.00 15.00 N ATOM 0 HA LYS A 4 -0.908 4.151 -2.827 1.00 15.00 H new ATOM 0 HB2 LYS A 4 -1.978 5.904 -0.575 1.00 15.00 H new ATOM 0 HB3 LYS A 4 -0.520 4.972 -0.300 1.00 15.00 H new ATOM 0 HG2 LYS A 4 0.122 7.174 -1.161 1.00 15.00 H new ATOM 0 HG3 LYS A 4 0.483 5.975 -2.387 1.00 15.00 H new ATOM 0 HD2 LYS A 4 -1.442 6.541 -3.685 1.00 15.00 H new ATOM 0 HD3 LYS A 4 -2.219 7.357 -2.344 1.00 15.00 H new ATOM 0 HE2 LYS A 4 0.466 8.418 -3.291 1.00 15.00 H new ATOM 0 HE3 LYS A 4 -0.955 8.781 -4.251 1.00 15.00 H new ATOM 0 HZ1 LYS A 4 -0.665 10.419 -2.461 1.00 15.00 H new ATOM 0 HZ2 LYS A 4 -2.098 9.540 -2.223 1.00 15.00 H new ATOM 0 HZ3 LYS A 4 -0.721 9.188 -1.293 1.00 15.00 H new ATOM 85 N ILE A 5 -3.014 2.962 -0.649 1.00 15.00 N ATOM 86 CA ILE A 5 -3.352 1.712 0.071 1.00 15.00 C ATOM 87 C ILE A 5 -3.189 0.558 -0.901 1.00 15.00 C ATOM 88 O ILE A 5 -2.816 -0.541 -0.544 1.00 15.00 O ATOM 89 CB ILE A 5 -4.809 1.897 0.470 1.00 15.00 C ATOM 90 CG1 ILE A 5 -4.895 2.849 1.668 1.00 15.00 C ATOM 91 CG2 ILE A 5 -5.422 0.548 0.857 1.00 15.00 C ATOM 92 CD1 ILE A 5 -3.711 3.830 1.701 1.00 15.00 C ATOM 0 H ILE A 5 -3.711 3.703 -0.578 1.00 15.00 H new ATOM 0 HA ILE A 5 -2.727 1.506 0.940 1.00 15.00 H new ATOM 0 HB ILE A 5 -5.357 2.314 -0.375 1.00 15.00 H new ATOM 0 HG12 ILE A 5 -5.830 3.408 1.622 1.00 15.00 H new ATOM 0 HG13 ILE A 5 -4.914 2.271 2.592 1.00 15.00 H new ATOM 0 HG21 ILE A 5 -6.465 0.690 1.141 1.00 15.00 H new ATOM 0 HG22 ILE A 5 -5.367 -0.134 0.008 1.00 15.00 H new ATOM 0 HG23 ILE A 5 -4.871 0.126 1.698 1.00 15.00 H new ATOM 0 HD11 ILE A 5 -3.808 4.488 2.564 1.00 15.00 H new ATOM 0 HD12 ILE A 5 -2.778 3.272 1.773 1.00 15.00 H new ATOM 0 HD13 ILE A 5 -3.707 4.427 0.789 1.00 15.00 H new ATOM 104 N PHE A 6 -3.436 0.839 -2.148 1.00 15.00 N ATOM 105 CA PHE A 6 -3.263 -0.208 -3.194 1.00 15.00 C ATOM 106 C PHE A 6 -1.766 -0.451 -3.374 1.00 15.00 C ATOM 107 O PHE A 6 -1.313 -1.568 -3.527 1.00 15.00 O ATOM 108 CB PHE A 6 -3.880 0.380 -4.463 1.00 15.00 C ATOM 109 CG PHE A 6 -4.576 -0.712 -5.240 1.00 15.00 C ATOM 110 CD1 PHE A 6 -5.615 -1.439 -4.648 1.00 15.00 C ATOM 111 CD2 PHE A 6 -4.181 -0.998 -6.552 1.00 15.00 C ATOM 112 CE1 PHE A 6 -6.260 -2.452 -5.369 1.00 15.00 C ATOM 113 CE2 PHE A 6 -4.826 -2.010 -7.273 1.00 15.00 C ATOM 114 CZ PHE A 6 -5.866 -2.738 -6.682 1.00 15.00 C ATOM 0 H PHE A 6 -3.750 1.747 -2.490 1.00 15.00 H new ATOM 0 HA PHE A 6 -3.734 -1.158 -2.942 1.00 15.00 H new ATOM 0 HB2 PHE A 6 -4.590 1.165 -4.204 1.00 15.00 H new ATOM 0 HB3 PHE A 6 -3.106 0.840 -5.077 1.00 15.00 H new ATOM 0 HD1 PHE A 6 -5.919 -1.219 -3.635 1.00 15.00 H new ATOM 0 HD2 PHE A 6 -3.378 -0.438 -7.008 1.00 15.00 H new ATOM 0 HE1 PHE A 6 -7.062 -3.013 -4.912 1.00 15.00 H new ATOM 0 HE2 PHE A 6 -4.521 -2.229 -8.286 1.00 15.00 H new ATOM 0 HZ PHE A 6 -6.364 -3.519 -7.238 1.00 15.00 H new ATOM 124 N PHE A 7 -0.998 0.603 -3.319 1.00 15.00 N ATOM 125 CA PHE A 7 0.481 0.474 -3.444 1.00 15.00 C ATOM 126 C PHE A 7 1.066 0.201 -2.066 1.00 15.00 C ATOM 127 O PHE A 7 1.796 -0.745 -1.879 1.00 15.00 O ATOM 128 CB PHE A 7 0.955 1.828 -3.976 1.00 15.00 C ATOM 129 CG PHE A 7 1.623 1.647 -5.321 1.00 15.00 C ATOM 130 CD1 PHE A 7 2.591 0.650 -5.498 1.00 15.00 C ATOM 131 CD2 PHE A 7 1.271 2.477 -6.393 1.00 15.00 C ATOM 132 CE1 PHE A 7 3.207 0.486 -6.744 1.00 15.00 C ATOM 133 CE2 PHE A 7 1.887 2.312 -7.639 1.00 15.00 C ATOM 134 CZ PHE A 7 2.855 1.316 -7.814 1.00 15.00 C ATOM 0 H PHE A 7 -1.336 1.557 -3.192 1.00 15.00 H new ATOM 0 HA PHE A 7 0.787 -0.339 -4.103 1.00 15.00 H new ATOM 0 HB2 PHE A 7 0.109 2.509 -4.069 1.00 15.00 H new ATOM 0 HB3 PHE A 7 1.653 2.281 -3.272 1.00 15.00 H new ATOM 0 HD1 PHE A 7 2.862 0.008 -4.673 1.00 15.00 H new ATOM 0 HD2 PHE A 7 0.524 3.245 -6.258 1.00 15.00 H new ATOM 0 HE1 PHE A 7 3.954 -0.282 -6.880 1.00 15.00 H new ATOM 0 HE2 PHE A 7 1.616 2.953 -8.465 1.00 15.00 H new ATOM 0 HZ PHE A 7 3.330 1.188 -8.775 1.00 15.00 H new ATOM 144 N GLN A 8 0.739 1.012 -1.093 1.00 15.00 N ATOM 145 CA GLN A 8 1.250 0.782 0.289 1.00 15.00 C ATOM 146 C GLN A 8 1.132 -0.704 0.615 1.00 15.00 C ATOM 147 O GLN A 8 1.993 -1.290 1.232 1.00 15.00 O ATOM 148 CB GLN A 8 0.333 1.611 1.185 1.00 15.00 C ATOM 149 CG GLN A 8 0.547 3.099 0.891 1.00 15.00 C ATOM 150 CD GLN A 8 -0.129 3.941 1.977 1.00 15.00 C ATOM 151 OE1 GLN A 8 -0.864 3.424 2.796 1.00 15.00 O ATOM 152 NE2 GLN A 8 0.090 5.226 2.017 1.00 15.00 N ATOM 0 H GLN A 8 0.136 1.828 -1.199 1.00 15.00 H new ATOM 0 HA GLN A 8 2.295 1.065 0.418 1.00 15.00 H new ATOM 0 HB2 GLN A 8 -0.708 1.340 1.009 1.00 15.00 H new ATOM 0 HB3 GLN A 8 0.544 1.402 2.234 1.00 15.00 H new ATOM 0 HG2 GLN A 8 1.613 3.323 0.854 1.00 15.00 H new ATOM 0 HG3 GLN A 8 0.135 3.350 -0.086 1.00 15.00 H new ATOM 0 HE21 GLN A 8 0.707 5.660 1.330 1.00 15.00 H new ATOM 0 HE22 GLN A 8 -0.355 5.797 2.735 1.00 15.00 H new ATOM 161 N ASN A 9 0.092 -1.329 0.133 1.00 15.00 N ATOM 162 CA ASN A 9 -0.075 -2.795 0.350 1.00 15.00 C ATOM 163 C ASN A 9 1.132 -3.529 -0.243 1.00 15.00 C ATOM 164 O ASN A 9 1.324 -4.712 -0.040 1.00 15.00 O ATOM 165 CB ASN A 9 -1.348 -3.164 -0.415 1.00 15.00 C ATOM 166 CG ASN A 9 -1.701 -4.630 -0.151 1.00 15.00 C ATOM 167 OD1 ASN A 9 -1.015 -5.313 0.584 1.00 15.00 O ATOM 168 ND2 ASN A 9 -2.752 -5.148 -0.726 1.00 15.00 N ATOM 0 H ASN A 9 -0.653 -0.885 -0.404 1.00 15.00 H new ATOM 0 HA ASN A 9 -0.144 -3.063 1.404 1.00 15.00 H new ATOM 0 HB2 ASN A 9 -2.171 -2.520 -0.104 1.00 15.00 H new ATOM 0 HB3 ASN A 9 -1.202 -3.001 -1.483 1.00 15.00 H new ATOM 0 HD21 ASN A 9 -2.996 -6.124 -0.558 1.00 15.00 H new ATOM 0 HD22 ASN A 9 -3.329 -4.577 -1.343 1.00 15.00 H new ATOM 175 N ARG A 10 1.938 -2.817 -0.987 1.00 15.00 N ATOM 176 CA ARG A 10 3.136 -3.426 -1.621 1.00 15.00 C ATOM 177 C ARG A 10 4.387 -2.591 -1.304 1.00 15.00 C ATOM 178 O ARG A 10 5.473 -2.893 -1.756 1.00 15.00 O ATOM 179 CB ARG A 10 2.865 -3.408 -3.135 1.00 15.00 C ATOM 180 CG ARG A 10 1.388 -3.138 -3.414 1.00 15.00 C ATOM 181 CD ARG A 10 1.034 -3.607 -4.832 1.00 15.00 C ATOM 182 NE ARG A 10 1.334 -5.064 -4.877 1.00 15.00 N ATOM 183 CZ ARG A 10 1.101 -5.831 -3.843 1.00 15.00 C ATOM 184 NH1 ARG A 10 -0.064 -5.800 -3.257 1.00 15.00 N ATOM 185 NH2 ARG A 10 2.035 -6.628 -3.397 1.00 15.00 N ATOM 0 H ARG A 10 1.811 -1.824 -1.183 1.00 15.00 H new ATOM 0 HA ARG A 10 3.313 -4.437 -1.253 1.00 15.00 H new ATOM 0 HB2 ARG A 10 3.476 -2.641 -3.610 1.00 15.00 H new ATOM 0 HB3 ARG A 10 3.155 -4.363 -3.573 1.00 15.00 H new ATOM 0 HG2 ARG A 10 0.769 -3.659 -2.683 1.00 15.00 H new ATOM 0 HG3 ARG A 10 1.177 -2.074 -3.310 1.00 15.00 H new ATOM 0 HD2 ARG A 10 -0.017 -3.419 -5.053 1.00 15.00 H new ATOM 0 HD3 ARG A 10 1.618 -3.067 -5.577 1.00 15.00 H new ATOM 0 HE ARG A 10 1.727 -5.470 -5.726 1.00 15.00 H new ATOM 0 HH11 ARG A 10 -0.793 -5.178 -3.605 1.00 15.00 H new ATOM 0 HH12 ARG A 10 -0.245 -6.398 -2.451 1.00 15.00 H new ATOM 0 HH21 ARG A 10 2.946 -6.652 -3.855 1.00 15.00 H new ATOM 0 HH22 ARG A 10 1.853 -7.226 -2.591 1.00 15.00 H new ATOM 199 N ARG A 11 4.240 -1.534 -0.539 1.00 15.00 N ATOM 200 CA ARG A 11 5.407 -0.672 -0.200 1.00 15.00 C ATOM 201 C ARG A 11 5.653 -0.754 1.289 1.00 15.00 C ATOM 202 O ARG A 11 6.760 -0.960 1.748 1.00 15.00 O ATOM 203 CB ARG A 11 4.989 0.757 -0.563 1.00 15.00 C ATOM 204 CG ARG A 11 4.005 0.740 -1.717 1.00 15.00 C ATOM 205 CD ARG A 11 4.479 1.692 -2.812 1.00 15.00 C ATOM 206 NE ARG A 11 4.578 3.013 -2.148 1.00 15.00 N ATOM 207 CZ ARG A 11 4.042 4.067 -2.701 1.00 15.00 C ATOM 208 NH1 ARG A 11 4.216 4.296 -3.974 1.00 15.00 N ATOM 209 NH2 ARG A 11 3.334 4.894 -1.980 1.00 15.00 N ATOM 0 H ARG A 11 3.353 -1.234 -0.135 1.00 15.00 H new ATOM 0 HA ARG A 11 6.311 -0.975 -0.727 1.00 15.00 H new ATOM 0 HB2 ARG A 11 4.537 1.242 0.302 1.00 15.00 H new ATOM 0 HB3 ARG A 11 5.868 1.343 -0.834 1.00 15.00 H new ATOM 0 HG2 ARG A 11 3.914 -0.271 -2.115 1.00 15.00 H new ATOM 0 HG3 ARG A 11 3.016 1.036 -1.368 1.00 15.00 H new ATOM 0 HD2 ARG A 11 5.441 1.380 -3.218 1.00 15.00 H new ATOM 0 HD3 ARG A 11 3.776 1.719 -3.644 1.00 15.00 H new ATOM 0 HE ARG A 11 5.066 3.099 -1.257 1.00 15.00 H new ATOM 0 HH11 ARG A 11 4.771 3.651 -4.537 1.00 15.00 H new ATOM 0 HH12 ARG A 11 3.797 5.120 -4.406 1.00 15.00 H new ATOM 0 HH21 ARG A 11 3.200 4.716 -0.985 1.00 15.00 H new ATOM 0 HH22 ARG A 11 2.915 5.718 -2.412 1.00 15.00 H new ATOM 223 N MET A 12 4.609 -0.604 2.045 1.00 15.00 N ATOM 224 CA MET A 12 4.767 -0.686 3.526 1.00 15.00 C ATOM 225 C MET A 12 4.632 -2.137 3.961 1.00 15.00 C ATOM 226 O MET A 12 5.287 -2.585 4.881 1.00 15.00 O ATOM 227 CB MET A 12 3.691 0.187 4.164 1.00 15.00 C ATOM 228 CG MET A 12 2.376 0.012 3.445 1.00 15.00 C ATOM 229 SD MET A 12 1.021 0.506 4.542 1.00 15.00 S ATOM 230 CE MET A 12 1.548 2.218 4.798 1.00 15.00 C ATOM 0 H MET A 12 3.661 -0.430 1.712 1.00 15.00 H new ATOM 0 HA MET A 12 5.748 -0.330 3.841 1.00 15.00 H new ATOM 0 HB2 MET A 12 3.576 -0.077 5.215 1.00 15.00 H new ATOM 0 HB3 MET A 12 3.995 1.233 4.130 1.00 15.00 H new ATOM 0 HG2 MET A 12 2.362 0.615 2.537 1.00 15.00 H new ATOM 0 HG3 MET A 12 2.251 -1.027 3.140 1.00 15.00 H new ATOM 0 HE1 MET A 12 0.706 2.808 5.160 1.00 15.00 H new ATOM 0 HE2 MET A 12 2.352 2.245 5.533 1.00 15.00 H new ATOM 0 HE3 MET A 12 1.904 2.634 3.855 1.00 15.00 H new ATOM 240 N LYS A 13 3.828 -2.889 3.272 1.00 15.00 N ATOM 241 CA LYS A 13 3.705 -4.326 3.606 1.00 15.00 C ATOM 242 C LYS A 13 4.893 -5.052 2.985 1.00 15.00 C ATOM 243 O LYS A 13 5.121 -6.225 3.210 1.00 15.00 O ATOM 244 CB LYS A 13 2.411 -4.793 2.955 1.00 15.00 C ATOM 245 CG LYS A 13 1.299 -3.748 3.096 1.00 15.00 C ATOM 246 CD LYS A 13 1.260 -3.136 4.502 1.00 15.00 C ATOM 247 CE LYS A 13 0.280 -3.924 5.378 1.00 15.00 C ATOM 248 NZ LYS A 13 1.012 -5.164 5.767 1.00 15.00 N ATOM 0 H LYS A 13 3.252 -2.570 2.493 1.00 15.00 H new ATOM 0 HA LYS A 13 3.693 -4.516 4.679 1.00 15.00 H new ATOM 0 HB2 LYS A 13 2.587 -4.997 1.899 1.00 15.00 H new ATOM 0 HB3 LYS A 13 2.091 -5.730 3.411 1.00 15.00 H new ATOM 0 HG2 LYS A 13 1.449 -2.958 2.361 1.00 15.00 H new ATOM 0 HG3 LYS A 13 0.337 -4.210 2.875 1.00 15.00 H new ATOM 0 HD2 LYS A 13 2.256 -3.154 4.945 1.00 15.00 H new ATOM 0 HD3 LYS A 13 0.955 -2.091 4.447 1.00 15.00 H new ATOM 0 HE2 LYS A 13 -0.014 -3.348 6.256 1.00 15.00 H new ATOM 0 HE3 LYS A 13 -0.633 -4.161 4.832 1.00 15.00 H new ATOM 0 HZ1 LYS A 13 0.692 -5.476 6.706 1.00 15.00 H new ATOM 0 HZ2 LYS A 13 0.822 -5.912 5.070 1.00 15.00 H new ATOM 0 HZ3 LYS A 13 2.033 -4.969 5.797 1.00 15.00 H new ATOM 262 N PHE A 14 5.648 -4.338 2.197 1.00 15.00 N ATOM 263 CA PHE A 14 6.831 -4.920 1.529 1.00 15.00 C ATOM 264 C PHE A 14 8.013 -4.922 2.489 1.00 15.00 C ATOM 265 O PHE A 14 8.985 -5.625 2.296 1.00 15.00 O ATOM 266 CB PHE A 14 7.083 -3.979 0.351 1.00 15.00 C ATOM 267 CG PHE A 14 7.246 -4.783 -0.916 1.00 15.00 C ATOM 268 CD1 PHE A 14 6.242 -5.674 -1.313 1.00 15.00 C ATOM 269 CD2 PHE A 14 8.401 -4.638 -1.695 1.00 15.00 C ATOM 270 CE1 PHE A 14 6.392 -6.419 -2.489 1.00 15.00 C ATOM 271 CE2 PHE A 14 8.551 -5.384 -2.870 1.00 15.00 C ATOM 272 CZ PHE A 14 7.547 -6.275 -3.266 1.00 15.00 C ATOM 0 H PHE A 14 5.485 -3.353 1.987 1.00 15.00 H new ATOM 0 HA PHE A 14 6.687 -5.952 1.210 1.00 15.00 H new ATOM 0 HB2 PHE A 14 6.252 -3.281 0.246 1.00 15.00 H new ATOM 0 HB3 PHE A 14 7.978 -3.384 0.533 1.00 15.00 H new ATOM 0 HD1 PHE A 14 5.352 -5.787 -0.712 1.00 15.00 H new ATOM 0 HD2 PHE A 14 9.176 -3.951 -1.389 1.00 15.00 H new ATOM 0 HE1 PHE A 14 5.616 -7.105 -2.796 1.00 15.00 H new ATOM 0 HE2 PHE A 14 9.441 -5.272 -3.471 1.00 15.00 H new ATOM 0 HZ PHE A 14 7.664 -6.852 -4.172 1.00 15.00 H new ATOM 282 N LYS A 15 7.931 -4.138 3.524 1.00 15.00 N ATOM 283 CA LYS A 15 9.045 -4.085 4.507 1.00 15.00 C ATOM 284 C LYS A 15 8.464 -3.996 5.916 1.00 15.00 C ATOM 285 O LYS A 15 9.160 -3.737 6.879 1.00 15.00 O ATOM 286 CB LYS A 15 9.831 -2.818 4.157 1.00 15.00 C ATOM 287 CG LYS A 15 8.915 -1.826 3.439 1.00 15.00 C ATOM 288 CD LYS A 15 7.893 -1.288 4.426 1.00 15.00 C ATOM 289 CE LYS A 15 7.897 0.243 4.389 1.00 15.00 C ATOM 290 NZ LYS A 15 9.186 0.640 5.022 1.00 15.00 N ATOM 0 H LYS A 15 7.139 -3.530 3.732 1.00 15.00 H new ATOM 0 HA LYS A 15 9.685 -4.967 4.473 1.00 15.00 H new ATOM 0 HB2 LYS A 15 10.233 -2.366 5.063 1.00 15.00 H new ATOM 0 HB3 LYS A 15 10.680 -3.069 3.522 1.00 15.00 H new ATOM 0 HG2 LYS A 15 9.501 -1.008 3.021 1.00 15.00 H new ATOM 0 HG3 LYS A 15 8.411 -2.315 2.605 1.00 15.00 H new ATOM 0 HD2 LYS A 15 6.901 -1.665 4.179 1.00 15.00 H new ATOM 0 HD3 LYS A 15 8.125 -1.638 5.432 1.00 15.00 H new ATOM 0 HE2 LYS A 15 7.829 0.613 3.366 1.00 15.00 H new ATOM 0 HE3 LYS A 15 7.047 0.653 4.934 1.00 15.00 H new ATOM 0 HZ1 LYS A 15 9.009 1.369 5.742 1.00 15.00 H new ATOM 0 HZ2 LYS A 15 9.623 -0.191 5.470 1.00 15.00 H new ATOM 0 HZ3 LYS A 15 9.827 1.019 4.296 1.00 15.00 H new ATOM 304 N LYS A 16 7.180 -4.200 6.031 1.00 15.00 N ATOM 305 CA LYS A 16 6.508 -4.126 7.344 1.00 15.00 C ATOM 306 C LYS A 16 7.239 -4.976 8.388 1.00 15.00 C ATOM 307 O LYS A 16 8.116 -5.732 8.002 1.00 15.00 O ATOM 308 CB LYS A 16 5.090 -4.639 7.063 1.00 15.00 C ATOM 309 CG LYS A 16 5.137 -6.059 6.487 1.00 15.00 C ATOM 310 CD LYS A 16 5.607 -7.029 7.563 1.00 15.00 C ATOM 311 CE LYS A 16 4.741 -8.291 7.541 1.00 15.00 C ATOM 312 NZ LYS A 16 5.091 -9.018 8.793 1.00 15.00 N ATOM 313 OXT LYS A 16 6.911 -4.855 9.557 1.00 15.00 O ATOM 0 H LYS A 16 6.562 -4.419 5.249 1.00 15.00 H new ATOM 0 HA LYS A 16 6.500 -3.120 7.763 1.00 15.00 H new ATOM 0 HB2 LYS A 16 4.506 -4.633 7.983 1.00 15.00 H new ATOM 0 HB3 LYS A 16 4.588 -3.972 6.362 1.00 15.00 H new ATOM 0 HG2 LYS A 16 4.150 -6.349 6.127 1.00 15.00 H new ATOM 0 HG3 LYS A 16 5.812 -6.094 5.632 1.00 15.00 H new ATOM 0 HD2 LYS A 16 6.652 -7.291 7.397 1.00 15.00 H new ATOM 0 HD3 LYS A 16 5.549 -6.555 8.543 1.00 15.00 H new ATOM 0 HE2 LYS A 16 3.680 -8.042 7.512 1.00 15.00 H new ATOM 0 HE3 LYS A 16 4.950 -8.898 6.660 1.00 15.00 H new ATOM 0 HZ1 LYS A 16 4.537 -9.896 8.851 1.00 15.00 H new ATOM 0 HZ2 LYS A 16 6.105 -9.248 8.789 1.00 15.00 H new ATOM 0 HZ3 LYS A 16 4.875 -8.418 9.615 1.00 15.00 H new