USER MOD reduce.3.24.130724 H: found=0, std=0, add=138, rem=0, adj=5 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= -0.0561 F(o=-0.83,f=-0.056) USER MOD Set 1.2: A 12 MET CE :methyl 166:sc= 0 (180deg=-0.146) USER MOD Single : A 4 LYS NZ :NH3+ -144:sc= -0.185 (180deg=-1.4!) USER MOD Single : A 9 ASN : amide:sc=-0.00338 K(o=-0.0034,f=-2.1!) USER MOD Single : A 13 LYS NZ :NH3+ 161:sc= -0.482 (180deg=-1.2) USER MOD Single : A 15 LYS NZ :NH3+ -165:sc= -0.0591 (180deg=-0.144) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 63 N LYS A 4 -2.739 4.930 -2.543 1.00 15.00 N ATOM 64 CA LYS A 4 -1.551 4.500 -1.774 1.00 15.00 C ATOM 65 C LYS A 4 -1.900 3.221 -1.049 1.00 15.00 C ATOM 66 O LYS A 4 -1.136 2.288 -1.009 1.00 15.00 O ATOM 67 CB LYS A 4 -1.274 5.618 -0.774 1.00 15.00 C ATOM 68 CG LYS A 4 -0.399 6.669 -1.432 1.00 15.00 C ATOM 69 CD LYS A 4 -1.171 7.294 -2.577 1.00 15.00 C ATOM 70 CE LYS A 4 -0.501 8.603 -3.007 1.00 15.00 C ATOM 71 NZ LYS A 4 -0.660 9.525 -1.846 1.00 15.00 N ATOM 0 HA LYS A 4 -0.680 4.319 -2.403 1.00 15.00 H new ATOM 0 HB2 LYS A 4 -2.211 6.064 -0.440 1.00 15.00 H new ATOM 0 HB3 LYS A 4 -0.779 5.217 0.110 1.00 15.00 H new ATOM 0 HG2 LYS A 4 -0.114 7.432 -0.707 1.00 15.00 H new ATOM 0 HG3 LYS A 4 0.523 6.218 -1.799 1.00 15.00 H new ATOM 0 HD2 LYS A 4 -1.212 6.603 -3.419 1.00 15.00 H new ATOM 0 HD3 LYS A 4 -2.200 7.485 -2.271 1.00 15.00 H new ATOM 0 HE2 LYS A 4 0.551 8.447 -3.244 1.00 15.00 H new ATOM 0 HE3 LYS A 4 -0.972 9.011 -3.901 1.00 15.00 H new ATOM 0 HZ1 LYS A 4 -0.816 10.494 -2.191 1.00 15.00 H new ATOM 0 HZ2 LYS A 4 -1.476 9.226 -1.274 1.00 15.00 H new ATOM 0 HZ3 LYS A 4 0.200 9.499 -1.262 1.00 15.00 H new ATOM 85 N ILE A 5 -3.078 3.162 -0.509 1.00 15.00 N ATOM 86 CA ILE A 5 -3.524 1.926 0.187 1.00 15.00 C ATOM 87 C ILE A 5 -3.309 0.757 -0.757 1.00 15.00 C ATOM 88 O ILE A 5 -3.047 -0.357 -0.352 1.00 15.00 O ATOM 89 CB ILE A 5 -5.010 2.160 0.452 1.00 15.00 C ATOM 90 CG1 ILE A 5 -5.194 3.479 1.223 1.00 15.00 C ATOM 91 CG2 ILE A 5 -5.572 1.004 1.281 1.00 15.00 C ATOM 92 CD1 ILE A 5 -3.964 3.766 2.092 1.00 15.00 C ATOM 0 H ILE A 5 -3.759 3.922 -0.518 1.00 15.00 H new ATOM 0 HA ILE A 5 -2.988 1.710 1.111 1.00 15.00 H new ATOM 0 HB ILE A 5 -5.541 2.217 -0.498 1.00 15.00 H new ATOM 0 HG12 ILE A 5 -5.351 4.299 0.522 1.00 15.00 H new ATOM 0 HG13 ILE A 5 -6.084 3.420 1.849 1.00 15.00 H new ATOM 0 HG21 ILE A 5 -6.632 1.173 1.469 1.00 15.00 H new ATOM 0 HG22 ILE A 5 -5.445 0.069 0.735 1.00 15.00 H new ATOM 0 HG23 ILE A 5 -5.040 0.945 2.231 1.00 15.00 H new ATOM 0 HD11 ILE A 5 -4.110 4.702 2.631 1.00 15.00 H new ATOM 0 HD12 ILE A 5 -3.825 2.954 2.806 1.00 15.00 H new ATOM 0 HD13 ILE A 5 -3.081 3.846 1.458 1.00 15.00 H new ATOM 104 N PHE A 6 -3.372 1.038 -2.024 1.00 15.00 N ATOM 105 CA PHE A 6 -3.120 -0.024 -3.033 1.00 15.00 C ATOM 106 C PHE A 6 -1.609 -0.244 -3.116 1.00 15.00 C ATOM 107 O PHE A 6 -1.134 -1.355 -3.217 1.00 15.00 O ATOM 108 CB PHE A 6 -3.668 0.529 -4.350 1.00 15.00 C ATOM 109 CG PHE A 6 -4.443 -0.549 -5.069 1.00 15.00 C ATOM 110 CD1 PHE A 6 -3.805 -1.739 -5.444 1.00 15.00 C ATOM 111 CD2 PHE A 6 -5.799 -0.360 -5.361 1.00 15.00 C ATOM 112 CE1 PHE A 6 -4.525 -2.738 -6.111 1.00 15.00 C ATOM 113 CE2 PHE A 6 -6.517 -1.359 -6.028 1.00 15.00 C ATOM 114 CZ PHE A 6 -5.881 -2.548 -6.403 1.00 15.00 C ATOM 0 H PHE A 6 -3.587 1.959 -2.407 1.00 15.00 H new ATOM 0 HA PHE A 6 -3.591 -0.977 -2.791 1.00 15.00 H new ATOM 0 HB2 PHE A 6 -4.313 1.386 -4.156 1.00 15.00 H new ATOM 0 HB3 PHE A 6 -2.849 0.882 -4.977 1.00 15.00 H new ATOM 0 HD1 PHE A 6 -2.759 -1.886 -5.219 1.00 15.00 H new ATOM 0 HD2 PHE A 6 -6.291 0.557 -5.072 1.00 15.00 H new ATOM 0 HE1 PHE A 6 -4.034 -3.655 -6.400 1.00 15.00 H new ATOM 0 HE2 PHE A 6 -7.563 -1.212 -6.254 1.00 15.00 H new ATOM 0 HZ PHE A 6 -6.436 -3.319 -6.917 1.00 15.00 H new ATOM 124 N PHE A 7 -0.855 0.824 -3.040 1.00 15.00 N ATOM 125 CA PHE A 7 0.634 0.714 -3.077 1.00 15.00 C ATOM 126 C PHE A 7 1.145 0.430 -1.670 1.00 15.00 C ATOM 127 O PHE A 7 1.990 -0.415 -1.468 1.00 15.00 O ATOM 128 CB PHE A 7 1.122 2.081 -3.552 1.00 15.00 C ATOM 129 CG PHE A 7 2.228 1.899 -4.564 1.00 15.00 C ATOM 130 CD1 PHE A 7 1.917 1.570 -5.889 1.00 15.00 C ATOM 131 CD2 PHE A 7 3.564 2.059 -4.178 1.00 15.00 C ATOM 132 CE1 PHE A 7 2.943 1.401 -6.827 1.00 15.00 C ATOM 133 CE2 PHE A 7 4.590 1.889 -5.116 1.00 15.00 C ATOM 134 CZ PHE A 7 4.279 1.560 -6.440 1.00 15.00 C ATOM 0 H PHE A 7 -1.212 1.776 -2.953 1.00 15.00 H new ATOM 0 HA PHE A 7 0.984 -0.086 -3.729 1.00 15.00 H new ATOM 0 HB2 PHE A 7 0.297 2.639 -3.996 1.00 15.00 H new ATOM 0 HB3 PHE A 7 1.483 2.664 -2.705 1.00 15.00 H new ATOM 0 HD1 PHE A 7 0.886 1.447 -6.187 1.00 15.00 H new ATOM 0 HD2 PHE A 7 3.804 2.314 -3.156 1.00 15.00 H new ATOM 0 HE1 PHE A 7 2.704 1.148 -7.849 1.00 15.00 H new ATOM 0 HE2 PHE A 7 5.621 2.012 -4.818 1.00 15.00 H new ATOM 0 HZ PHE A 7 5.070 1.429 -7.164 1.00 15.00 H new ATOM 144 N GLN A 8 0.616 1.116 -0.692 1.00 15.00 N ATOM 145 CA GLN A 8 1.035 0.872 0.713 1.00 15.00 C ATOM 146 C GLN A 8 0.908 -0.613 1.003 1.00 15.00 C ATOM 147 O GLN A 8 1.704 -1.194 1.697 1.00 15.00 O ATOM 148 CB GLN A 8 0.061 1.681 1.563 1.00 15.00 C ATOM 149 CG GLN A 8 0.341 3.173 1.362 1.00 15.00 C ATOM 150 CD GLN A 8 -0.101 3.950 2.605 1.00 15.00 C ATOM 151 OE1 GLN A 8 -1.171 3.575 3.250 1.00 15.00 O flip ATOM 152 NE2 GLN A 8 0.536 4.910 2.992 1.00 15.00 N flip ATOM 0 H GLN A 8 -0.093 1.839 -0.810 1.00 15.00 H new ATOM 0 HA GLN A 8 2.066 1.163 0.915 1.00 15.00 H new ATOM 0 HB2 GLN A 8 -0.966 1.450 1.281 1.00 15.00 H new ATOM 0 HB3 GLN A 8 0.170 1.416 2.615 1.00 15.00 H new ATOM 0 HG2 GLN A 8 1.404 3.333 1.180 1.00 15.00 H new ATOM 0 HG3 GLN A 8 -0.191 3.538 0.484 1.00 15.00 H new ATOM 0 HE21 GLN A 8 1.373 5.204 2.488 1.00 15.00 H new ATOM 0 HE22 GLN A 8 0.234 5.422 3.821 1.00 15.00 H new ATOM 161 N ASN A 9 -0.075 -1.240 0.433 1.00 15.00 N ATOM 162 CA ASN A 9 -0.240 -2.698 0.643 1.00 15.00 C ATOM 163 C ASN A 9 0.924 -3.444 -0.015 1.00 15.00 C ATOM 164 O ASN A 9 1.090 -4.637 0.154 1.00 15.00 O ATOM 165 CB ASN A 9 -1.549 -3.043 -0.057 1.00 15.00 C ATOM 166 CG ASN A 9 -1.972 -4.465 0.316 1.00 15.00 C ATOM 167 OD1 ASN A 9 -1.965 -5.352 -0.514 1.00 15.00 O ATOM 168 ND2 ASN A 9 -2.342 -4.720 1.541 1.00 15.00 N ATOM 0 H ASN A 9 -0.773 -0.805 -0.171 1.00 15.00 H new ATOM 0 HA ASN A 9 -0.253 -2.974 1.697 1.00 15.00 H new ATOM 0 HB2 ASN A 9 -2.325 -2.334 0.232 1.00 15.00 H new ATOM 0 HB3 ASN A 9 -1.428 -2.960 -1.137 1.00 15.00 H new ATOM 0 HD21 ASN A 9 -2.625 -5.664 1.802 1.00 15.00 H new ATOM 0 HD22 ASN A 9 -2.348 -3.975 2.238 1.00 15.00 H new ATOM 175 N ARG A 10 1.718 -2.745 -0.782 1.00 15.00 N ATOM 176 CA ARG A 10 2.863 -3.388 -1.480 1.00 15.00 C ATOM 177 C ARG A 10 4.125 -2.529 -1.354 1.00 15.00 C ATOM 178 O ARG A 10 5.132 -2.809 -1.977 1.00 15.00 O ATOM 179 CB ARG A 10 2.452 -3.482 -2.957 1.00 15.00 C ATOM 180 CG ARG A 10 1.075 -2.862 -3.165 1.00 15.00 C ATOM 181 CD ARG A 10 0.668 -3.007 -4.638 1.00 15.00 C ATOM 182 NE ARG A 10 0.422 -4.455 -4.856 1.00 15.00 N ATOM 183 CZ ARG A 10 -0.303 -5.144 -4.012 1.00 15.00 C ATOM 184 NH1 ARG A 10 -1.441 -4.666 -3.590 1.00 15.00 N ATOM 185 NH2 ARG A 10 0.114 -6.306 -3.592 1.00 15.00 N ATOM 0 H ARG A 10 1.618 -1.745 -0.955 1.00 15.00 H new ATOM 0 HA ARG A 10 3.087 -4.364 -1.050 1.00 15.00 H new ATOM 0 HB2 ARG A 10 3.186 -2.970 -3.579 1.00 15.00 H new ATOM 0 HB3 ARG A 10 2.440 -4.525 -3.272 1.00 15.00 H new ATOM 0 HG2 ARG A 10 0.343 -3.352 -2.524 1.00 15.00 H new ATOM 0 HG3 ARG A 10 1.092 -1.809 -2.883 1.00 15.00 H new ATOM 0 HD2 ARG A 10 -0.226 -2.423 -4.855 1.00 15.00 H new ATOM 0 HD3 ARG A 10 1.455 -2.642 -5.298 1.00 15.00 H new ATOM 0 HE ARG A 10 0.822 -4.918 -5.672 1.00 15.00 H new ATOM 0 HH11 ARG A 10 -1.765 -3.756 -3.918 1.00 15.00 H new ATOM 0 HH12 ARG A 10 -2.007 -5.202 -2.932 1.00 15.00 H new ATOM 0 HH21 ARG A 10 1.005 -6.678 -3.921 1.00 15.00 H new ATOM 0 HH22 ARG A 10 -0.451 -6.843 -2.934 1.00 15.00 H new ATOM 199 N ARG A 11 4.087 -1.482 -0.571 1.00 15.00 N ATOM 200 CA ARG A 11 5.288 -0.622 -0.438 1.00 15.00 C ATOM 201 C ARG A 11 5.748 -0.616 1.008 1.00 15.00 C ATOM 202 O ARG A 11 6.920 -0.592 1.294 1.00 15.00 O ATOM 203 CB ARG A 11 4.828 0.762 -0.918 1.00 15.00 C ATOM 204 CG ARG A 11 4.153 1.569 0.185 1.00 15.00 C ATOM 205 CD ARG A 11 5.003 2.791 0.516 1.00 15.00 C ATOM 206 NE ARG A 11 6.310 2.248 0.953 1.00 15.00 N ATOM 207 CZ ARG A 11 6.901 2.731 2.012 1.00 15.00 C ATOM 208 NH1 ARG A 11 6.205 3.010 3.081 1.00 15.00 N ATOM 209 NH2 ARG A 11 8.188 2.940 2.000 1.00 15.00 N ATOM 0 H ARG A 11 3.278 -1.191 -0.023 1.00 15.00 H new ATOM 0 HA ARG A 11 6.142 -0.967 -1.021 1.00 15.00 H new ATOM 0 HB2 ARG A 11 5.688 1.316 -1.295 1.00 15.00 H new ATOM 0 HB3 ARG A 11 4.136 0.642 -1.751 1.00 15.00 H new ATOM 0 HG2 ARG A 11 3.159 1.881 -0.135 1.00 15.00 H new ATOM 0 HG3 ARG A 11 4.023 0.952 1.074 1.00 15.00 H new ATOM 0 HD2 ARG A 11 5.116 3.439 -0.353 1.00 15.00 H new ATOM 0 HD3 ARG A 11 4.543 3.390 1.302 1.00 15.00 H new ATOM 0 HE ARG A 11 6.750 1.494 0.425 1.00 15.00 H new ATOM 0 HH11 ARG A 11 5.198 2.851 3.090 1.00 15.00 H new ATOM 0 HH12 ARG A 11 6.669 3.387 3.907 1.00 15.00 H new ATOM 0 HH21 ARG A 11 8.732 2.726 1.164 1.00 15.00 H new ATOM 0 HH22 ARG A 11 8.651 3.317 2.827 1.00 15.00 H new ATOM 223 N MET A 12 4.822 -0.679 1.909 1.00 15.00 N ATOM 224 CA MET A 12 5.183 -0.723 3.354 1.00 15.00 C ATOM 225 C MET A 12 4.985 -2.152 3.836 1.00 15.00 C ATOM 226 O MET A 12 5.746 -2.662 4.633 1.00 15.00 O ATOM 227 CB MET A 12 4.257 0.249 4.085 1.00 15.00 C ATOM 228 CG MET A 12 2.900 0.274 3.419 1.00 15.00 C ATOM 229 SD MET A 12 1.630 0.690 4.640 1.00 15.00 S ATOM 230 CE MET A 12 2.134 2.406 4.909 1.00 15.00 C ATOM 0 H MET A 12 3.821 -0.702 1.712 1.00 15.00 H new ATOM 0 HA MET A 12 6.217 -0.433 3.539 1.00 15.00 H new ATOM 0 HB2 MET A 12 4.153 -0.050 5.128 1.00 15.00 H new ATOM 0 HB3 MET A 12 4.691 1.249 4.082 1.00 15.00 H new ATOM 0 HG2 MET A 12 2.894 1.005 2.610 1.00 15.00 H new ATOM 0 HG3 MET A 12 2.685 -0.697 2.973 1.00 15.00 H new ATOM 0 HE1 MET A 12 1.344 2.938 5.440 1.00 15.00 H new ATOM 0 HE2 MET A 12 3.048 2.428 5.502 1.00 15.00 H new ATOM 0 HE3 MET A 12 2.313 2.887 3.948 1.00 15.00 H new ATOM 240 N LYS A 13 4.001 -2.826 3.298 1.00 15.00 N ATOM 241 CA LYS A 13 3.797 -4.249 3.659 1.00 15.00 C ATOM 242 C LYS A 13 4.919 -5.037 2.986 1.00 15.00 C ATOM 243 O LYS A 13 5.195 -6.177 3.300 1.00 15.00 O ATOM 244 CB LYS A 13 2.450 -4.647 3.063 1.00 15.00 C ATOM 245 CG LYS A 13 1.378 -3.569 3.287 1.00 15.00 C ATOM 246 CD LYS A 13 1.502 -2.892 4.659 1.00 15.00 C ATOM 247 CE LYS A 13 0.778 -3.732 5.713 1.00 15.00 C ATOM 248 NZ LYS A 13 1.862 -4.397 6.489 1.00 15.00 N ATOM 0 H LYS A 13 3.334 -2.448 2.626 1.00 15.00 H new ATOM 0 HA LYS A 13 3.808 -4.432 4.733 1.00 15.00 H new ATOM 0 HB2 LYS A 13 2.566 -4.826 1.994 1.00 15.00 H new ATOM 0 HB3 LYS A 13 2.119 -5.585 3.509 1.00 15.00 H new ATOM 0 HG2 LYS A 13 1.457 -2.814 2.505 1.00 15.00 H new ATOM 0 HG3 LYS A 13 0.390 -4.020 3.196 1.00 15.00 H new ATOM 0 HD2 LYS A 13 2.553 -2.780 4.927 1.00 15.00 H new ATOM 0 HD3 LYS A 13 1.074 -1.890 4.621 1.00 15.00 H new ATOM 0 HE2 LYS A 13 0.158 -3.108 6.357 1.00 15.00 H new ATOM 0 HE3 LYS A 13 0.119 -4.465 5.248 1.00 15.00 H new ATOM 0 HZ1 LYS A 13 1.486 -4.721 7.403 1.00 15.00 H new ATOM 0 HZ2 LYS A 13 2.221 -5.213 5.954 1.00 15.00 H new ATOM 0 HZ3 LYS A 13 2.636 -3.722 6.652 1.00 15.00 H new ATOM 262 N PHE A 14 5.570 -4.391 2.053 1.00 15.00 N ATOM 263 CA PHE A 14 6.694 -5.007 1.315 1.00 15.00 C ATOM 264 C PHE A 14 7.923 -5.041 2.221 1.00 15.00 C ATOM 265 O PHE A 14 8.886 -5.733 1.957 1.00 15.00 O ATOM 266 CB PHE A 14 6.909 -4.061 0.126 1.00 15.00 C ATOM 267 CG PHE A 14 6.850 -4.843 -1.166 1.00 15.00 C ATOM 268 CD1 PHE A 14 5.694 -5.558 -1.501 1.00 15.00 C ATOM 269 CD2 PHE A 14 7.951 -4.848 -2.032 1.00 15.00 C ATOM 270 CE1 PHE A 14 5.638 -6.279 -2.700 1.00 15.00 C ATOM 271 CE2 PHE A 14 7.895 -5.570 -3.231 1.00 15.00 C ATOM 272 CZ PHE A 14 6.739 -6.286 -3.565 1.00 15.00 C ATOM 0 H PHE A 14 5.356 -3.435 1.770 1.00 15.00 H new ATOM 0 HA PHE A 14 6.507 -6.031 0.993 1.00 15.00 H new ATOM 0 HB2 PHE A 14 6.146 -3.283 0.126 1.00 15.00 H new ATOM 0 HB3 PHE A 14 7.874 -3.562 0.216 1.00 15.00 H new ATOM 0 HD1 PHE A 14 4.845 -5.553 -0.834 1.00 15.00 H new ATOM 0 HD2 PHE A 14 8.843 -4.295 -1.775 1.00 15.00 H new ATOM 0 HE1 PHE A 14 4.745 -6.830 -2.958 1.00 15.00 H new ATOM 0 HE2 PHE A 14 8.744 -5.574 -3.898 1.00 15.00 H new ATOM 0 HZ PHE A 14 6.697 -6.843 -4.489 1.00 15.00 H new ATOM 282 N LYS A 15 7.885 -4.299 3.296 1.00 15.00 N ATOM 283 CA LYS A 15 9.036 -4.283 4.236 1.00 15.00 C ATOM 284 C LYS A 15 8.531 -4.247 5.678 1.00 15.00 C ATOM 285 O LYS A 15 9.293 -4.122 6.616 1.00 15.00 O ATOM 286 CB LYS A 15 9.806 -3.002 3.913 1.00 15.00 C ATOM 287 CG LYS A 15 8.850 -1.805 3.902 1.00 15.00 C ATOM 288 CD LYS A 15 9.065 -0.989 2.627 1.00 15.00 C ATOM 289 CE LYS A 15 10.527 -0.544 2.524 1.00 15.00 C ATOM 290 NZ LYS A 15 11.011 -1.110 1.234 1.00 15.00 N ATOM 0 H LYS A 15 7.102 -3.702 3.562 1.00 15.00 H new ATOM 0 HA LYS A 15 9.662 -5.169 4.132 1.00 15.00 H new ATOM 0 HB2 LYS A 15 10.591 -2.844 4.652 1.00 15.00 H new ATOM 0 HB3 LYS A 15 10.295 -3.096 2.943 1.00 15.00 H new ATOM 0 HG2 LYS A 15 7.818 -2.151 3.955 1.00 15.00 H new ATOM 0 HG3 LYS A 15 9.022 -1.181 4.779 1.00 15.00 H new ATOM 0 HD2 LYS A 15 8.797 -1.586 1.755 1.00 15.00 H new ATOM 0 HD3 LYS A 15 8.411 -0.117 2.630 1.00 15.00 H new ATOM 0 HE2 LYS A 15 10.611 0.543 2.535 1.00 15.00 H new ATOM 0 HE3 LYS A 15 11.113 -0.917 3.364 1.00 15.00 H new ATOM 0 HZ1 LYS A 15 12.050 -1.073 1.207 1.00 15.00 H new ATOM 0 HZ2 LYS A 15 10.698 -2.098 1.149 1.00 15.00 H new ATOM 0 HZ3 LYS A 15 10.624 -0.555 0.444 1.00 15.00 H new ATOM 304 N LYS A 16 7.242 -4.342 5.852 1.00 15.00 N ATOM 305 CA LYS A 16 6.652 -4.300 7.206 1.00 15.00 C ATOM 306 C LYS A 16 7.324 -5.316 8.135 1.00 15.00 C ATOM 307 O LYS A 16 8.121 -6.101 7.648 1.00 15.00 O ATOM 308 CB LYS A 16 5.171 -4.614 6.973 1.00 15.00 C ATOM 309 CG LYS A 16 5.016 -5.977 6.294 1.00 15.00 C ATOM 310 CD LYS A 16 5.400 -7.079 7.275 1.00 15.00 C ATOM 311 CE LYS A 16 4.384 -8.223 7.200 1.00 15.00 C ATOM 312 NZ LYS A 16 5.133 -9.363 6.602 1.00 15.00 N ATOM 313 OXT LYS A 16 7.030 -5.290 9.319 1.00 15.00 O ATOM 0 H LYS A 16 6.566 -4.449 5.095 1.00 15.00 H new ATOM 0 HA LYS A 16 6.790 -3.339 7.701 1.00 15.00 H new ATOM 0 HB2 LYS A 16 4.638 -4.611 7.924 1.00 15.00 H new ATOM 0 HB3 LYS A 16 4.721 -3.838 6.353 1.00 15.00 H new ATOM 0 HG2 LYS A 16 3.987 -6.114 5.960 1.00 15.00 H new ATOM 0 HG3 LYS A 16 5.648 -6.028 5.407 1.00 15.00 H new ATOM 0 HD2 LYS A 16 6.398 -7.452 7.044 1.00 15.00 H new ATOM 0 HD3 LYS A 16 5.436 -6.679 8.288 1.00 15.00 H new ATOM 0 HE2 LYS A 16 4.001 -8.477 8.189 1.00 15.00 H new ATOM 0 HE3 LYS A 16 3.526 -7.949 6.587 1.00 15.00 H new ATOM 0 HZ1 LYS A 16 4.503 -10.186 6.518 1.00 15.00 H new ATOM 0 HZ2 LYS A 16 5.479 -9.094 5.659 1.00 15.00 H new ATOM 0 HZ3 LYS A 16 5.940 -9.606 7.211 1.00 15.00 H new