USER MOD reduce.3.24.130724 H: found=0, std=0, add=160, rem=0, adj=0 USER MOD reduce.3.24.130724 removed 161 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 Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 112 N ARG A 8 21.584 8.485 16.052 1.00 0.00 N ATOM 113 CA ARG A 8 22.105 9.573 16.862 1.00 0.00 C ATOM 114 C ARG A 8 23.427 9.164 17.514 1.00 0.00 C ATOM 115 O ARG A 8 24.329 9.986 17.666 1.00 0.00 O ATOM 116 CB ARG A 8 21.109 9.973 17.952 1.00 0.00 C ATOM 117 CG ARG A 8 19.881 10.658 17.348 1.00 0.00 C ATOM 118 CD ARG A 8 18.910 11.106 18.442 1.00 0.00 C ATOM 119 NE ARG A 8 17.783 11.854 17.842 1.00 0.00 N ATOM 120 CZ ARG A 8 16.778 12.393 18.547 1.00 0.00 C ATOM 121 NH1 ARG A 8 16.741 12.246 19.879 1.00 0.00 N ATOM 122 NH2 ARG A 8 15.812 13.078 17.921 1.00 0.00 N ATOM 0 HA ARG A 8 22.270 10.427 16.204 1.00 0.00 H new ATOM 0 HB2 ARG A 8 20.799 9.089 18.509 1.00 0.00 H new ATOM 0 HB3 ARG A 8 21.592 10.644 18.662 1.00 0.00 H new ATOM 0 HG2 ARG A 8 20.194 11.520 16.759 1.00 0.00 H new ATOM 0 HG3 ARG A 8 19.376 9.973 16.667 1.00 0.00 H new ATOM 0 HD2 ARG A 8 18.534 10.238 18.984 1.00 0.00 H new ATOM 0 HD3 ARG A 8 19.429 11.734 19.166 1.00 0.00 H new ATOM 0 HE ARG A 8 17.770 11.967 16.828 1.00 0.00 H new ATOM 0 HH11 ARG A 8 17.477 11.725 20.355 1.00 0.00 H new ATOM 0 HH12 ARG A 8 15.977 12.656 20.416 1.00 0.00 H new ATOM 0 HH21 ARG A 8 15.841 13.190 16.908 1.00 0.00 H new ATOM 0 HH22 ARG A 8 15.048 13.488 18.458 1.00 0.00 H new ATOM 136 N ARG A 9 23.500 7.893 17.883 1.00 0.00 N ATOM 137 CA ARG A 9 24.715 7.352 18.466 1.00 0.00 C ATOM 138 C ARG A 9 25.819 7.267 17.410 1.00 0.00 C ATOM 139 O ARG A 9 26.997 7.438 17.722 1.00 0.00 O ATOM 140 CB ARG A 9 24.472 5.960 19.053 1.00 0.00 C ATOM 141 CG ARG A 9 23.703 6.049 20.373 1.00 0.00 C ATOM 142 CD ARG A 9 23.464 4.657 20.962 1.00 0.00 C ATOM 143 NE ARG A 9 22.764 4.771 22.261 1.00 0.00 N ATOM 144 CZ ARG A 9 22.461 3.727 23.045 1.00 0.00 C ATOM 145 NH1 ARG A 9 22.779 2.485 22.660 1.00 0.00 N ATOM 146 NH2 ARG A 9 21.838 3.927 24.216 1.00 0.00 N ATOM 0 H ARG A 9 22.737 7.223 17.789 1.00 0.00 H new ATOM 0 HA ARG A 9 25.025 8.023 19.267 1.00 0.00 H new ATOM 0 HB2 ARG A 9 23.911 5.354 18.341 1.00 0.00 H new ATOM 0 HB3 ARG A 9 25.426 5.459 19.217 1.00 0.00 H new ATOM 0 HG2 ARG A 9 24.262 6.658 21.084 1.00 0.00 H new ATOM 0 HG3 ARG A 9 22.748 6.548 20.209 1.00 0.00 H new ATOM 0 HD2 ARG A 9 22.871 4.058 20.271 1.00 0.00 H new ATOM 0 HD3 ARG A 9 24.415 4.141 21.096 1.00 0.00 H new ATOM 0 HE ARG A 9 22.495 5.702 22.579 1.00 0.00 H new ATOM 0 HH11 ARG A 9 23.252 2.333 21.769 1.00 0.00 H new ATOM 0 HH12 ARG A 9 22.548 1.691 23.257 1.00 0.00 H new ATOM 0 HH21 ARG A 9 21.595 4.873 24.509 1.00 0.00 H new ATOM 0 HH22 ARG A 9 21.607 3.133 24.813 1.00 0.00 H new ATOM 160 N LYS A 10 25.399 7.001 16.181 1.00 0.00 N ATOM 161 CA LYS A 10 26.334 6.923 15.072 1.00 0.00 C ATOM 162 C LYS A 10 26.879 8.320 14.770 1.00 0.00 C ATOM 163 O LYS A 10 28.061 8.477 14.468 1.00 0.00 O ATOM 164 CB LYS A 10 25.679 6.246 13.866 1.00 0.00 C ATOM 165 CG LYS A 10 25.785 4.723 13.969 1.00 0.00 C ATOM 166 CD LYS A 10 25.006 4.042 12.842 1.00 0.00 C ATOM 167 CE LYS A 10 25.125 2.518 12.935 1.00 0.00 C ATOM 168 NZ LYS A 10 24.430 1.874 11.798 1.00 0.00 N ATOM 0 H LYS A 10 24.424 6.837 15.930 1.00 0.00 H new ATOM 0 HA LYS A 10 27.187 6.298 15.337 1.00 0.00 H new ATOM 0 HB2 LYS A 10 24.631 6.538 13.805 1.00 0.00 H new ATOM 0 HB3 LYS A 10 26.158 6.586 12.948 1.00 0.00 H new ATOM 0 HG2 LYS A 10 26.832 4.424 13.924 1.00 0.00 H new ATOM 0 HG3 LYS A 10 25.400 4.392 14.934 1.00 0.00 H new ATOM 0 HD2 LYS A 10 23.957 4.332 12.894 1.00 0.00 H new ATOM 0 HD3 LYS A 10 25.383 4.382 11.877 1.00 0.00 H new ATOM 0 HE2 LYS A 10 26.176 2.229 12.938 1.00 0.00 H new ATOM 0 HE3 LYS A 10 24.696 2.170 13.875 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 24.520 0.841 11.876 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 23.424 2.136 11.813 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 24.857 2.192 10.905 1.00 0.00 H new ATOM 182 N LEU A 11 25.991 9.299 14.863 1.00 0.00 N ATOM 183 CA LEU A 11 26.373 10.681 14.625 1.00 0.00 C ATOM 184 C LEU A 11 27.289 11.155 15.755 1.00 0.00 C ATOM 185 O LEU A 11 28.217 11.928 15.524 1.00 0.00 O ATOM 186 CB LEU A 11 25.132 11.555 14.432 1.00 0.00 C ATOM 187 CG LEU A 11 24.367 11.353 13.122 1.00 0.00 C ATOM 188 CD1 LEU A 11 22.950 11.920 13.223 1.00 0.00 C ATOM 189 CD2 LEU A 11 25.137 11.945 11.940 1.00 0.00 C ATOM 0 H LEU A 11 25.008 9.163 15.100 1.00 0.00 H new ATOM 0 HA LEU A 11 26.940 10.764 13.698 1.00 0.00 H new ATOM 0 HB2 LEU A 11 24.449 11.370 15.261 1.00 0.00 H new ATOM 0 HB3 LEU A 11 25.434 12.600 14.496 1.00 0.00 H new ATOM 0 HG LEU A 11 24.275 10.282 12.942 1.00 0.00 H new ATOM 0 HD11 LEU A 11 22.427 11.764 12.279 1.00 0.00 H new ATOM 0 HD12 LEU A 11 22.412 11.413 14.024 1.00 0.00 H new ATOM 0 HD13 LEU A 11 23.000 12.987 13.438 1.00 0.00 H new ATOM 0 HD21 LEU A 11 24.571 11.788 11.022 1.00 0.00 H new ATOM 0 HD22 LEU A 11 25.282 13.014 12.099 1.00 0.00 H new ATOM 0 HD23 LEU A 11 26.108 11.456 11.856 1.00 0.00 H new ATOM 201 N LYS A 12 26.996 10.671 16.952 1.00 0.00 N ATOM 202 CA LYS A 12 27.813 10.993 18.111 1.00 0.00 C ATOM 203 C LYS A 12 29.208 10.392 17.928 1.00 0.00 C ATOM 204 O LYS A 12 30.210 11.031 18.249 1.00 0.00 O ATOM 205 CB LYS A 12 27.117 10.550 19.398 1.00 0.00 C ATOM 206 CG LYS A 12 27.898 11.010 20.631 1.00 0.00 C ATOM 207 CD LYS A 12 27.166 10.626 21.919 1.00 0.00 C ATOM 208 CE LYS A 12 27.950 11.081 23.151 1.00 0.00 C ATOM 209 NZ LYS A 12 27.231 10.707 24.390 1.00 0.00 N ATOM 0 H LYS A 12 26.204 10.058 17.146 1.00 0.00 H new ATOM 0 HA LYS A 12 27.939 12.072 18.200 1.00 0.00 H new ATOM 0 HB2 LYS A 12 26.107 10.960 19.429 1.00 0.00 H new ATOM 0 HB3 LYS A 12 27.021 9.464 19.408 1.00 0.00 H new ATOM 0 HG2 LYS A 12 28.891 10.561 20.625 1.00 0.00 H new ATOM 0 HG3 LYS A 12 28.037 12.091 20.596 1.00 0.00 H new ATOM 0 HD2 LYS A 12 26.174 11.079 21.927 1.00 0.00 H new ATOM 0 HD3 LYS A 12 27.024 9.546 21.953 1.00 0.00 H new ATOM 0 HE2 LYS A 12 28.941 10.627 23.147 1.00 0.00 H new ATOM 0 HE3 LYS A 12 28.094 12.161 23.119 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 27.777 11.023 25.217 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 26.295 11.161 24.399 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 27.115 9.674 24.426 1.00 0.00 H new ATOM 223 N LYS A 13 29.230 9.172 17.413 1.00 0.00 N ATOM 224 CA LYS A 13 30.485 8.478 17.183 1.00 0.00 C ATOM 225 C LYS A 13 31.278 9.214 16.101 1.00 0.00 C ATOM 226 O LYS A 13 32.500 9.329 16.192 1.00 0.00 O ATOM 227 CB LYS A 13 30.232 7.003 16.864 1.00 0.00 C ATOM 228 CG LYS A 13 31.550 6.236 16.739 1.00 0.00 C ATOM 229 CD LYS A 13 31.296 4.744 16.513 1.00 0.00 C ATOM 230 CE LYS A 13 32.613 3.977 16.382 1.00 0.00 C ATOM 231 NZ LYS A 13 32.355 2.534 16.172 1.00 0.00 N ATOM 0 H LYS A 13 28.397 8.646 17.148 1.00 0.00 H new ATOM 0 HA LYS A 13 31.095 8.484 18.086 1.00 0.00 H new ATOM 0 HB2 LYS A 13 29.620 6.557 17.648 1.00 0.00 H new ATOM 0 HB3 LYS A 13 29.669 6.920 15.935 1.00 0.00 H new ATOM 0 HG2 LYS A 13 32.132 6.639 15.911 1.00 0.00 H new ATOM 0 HG3 LYS A 13 32.143 6.375 17.643 1.00 0.00 H new ATOM 0 HD2 LYS A 13 30.717 4.340 17.344 1.00 0.00 H new ATOM 0 HD3 LYS A 13 30.699 4.606 15.611 1.00 0.00 H new ATOM 0 HE2 LYS A 13 33.190 4.374 15.547 1.00 0.00 H new ATOM 0 HE3 LYS A 13 33.214 4.118 17.281 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 33.260 2.029 16.085 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 31.823 2.155 16.981 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 31.801 2.403 15.302 1.00 0.00 H new ATOM 245 N LEU A 14 30.552 9.692 15.102 1.00 0.00 N ATOM 246 CA LEU A 14 31.168 10.442 14.020 1.00 0.00 C ATOM 247 C LEU A 14 31.834 11.696 14.590 1.00 0.00 C ATOM 248 O LEU A 14 32.999 11.968 14.306 1.00 0.00 O ATOM 249 CB LEU A 14 30.145 10.736 12.921 1.00 0.00 C ATOM 250 CG LEU A 14 30.702 11.334 11.629 1.00 0.00 C ATOM 251 CD1 LEU A 14 31.566 10.316 10.881 1.00 0.00 C ATOM 252 CD2 LEU A 14 29.578 11.887 10.750 1.00 0.00 C ATOM 0 H LEU A 14 29.542 9.575 15.018 1.00 0.00 H new ATOM 0 HA LEU A 14 31.951 9.851 13.545 1.00 0.00 H new ATOM 0 HB2 LEU A 14 29.629 9.808 12.675 1.00 0.00 H new ATOM 0 HB3 LEU A 14 29.397 11.420 13.322 1.00 0.00 H new ATOM 0 HG LEU A 14 31.347 12.173 11.892 1.00 0.00 H new ATOM 0 HD11 LEU A 14 31.950 10.767 9.966 1.00 0.00 H new ATOM 0 HD12 LEU A 14 32.400 10.012 11.513 1.00 0.00 H new ATOM 0 HD13 LEU A 14 30.964 9.442 10.630 1.00 0.00 H new ATOM 0 HD21 LEU A 14 30.002 12.306 9.838 1.00 0.00 H new ATOM 0 HD22 LEU A 14 28.888 11.083 10.493 1.00 0.00 H new ATOM 0 HD23 LEU A 14 29.042 12.666 11.292 1.00 0.00 H new ATOM 264 N ARG A 15 31.065 12.427 15.385 1.00 0.00 N ATOM 265 CA ARG A 15 31.584 13.613 16.045 1.00 0.00 C ATOM 266 C ARG A 15 32.858 13.273 16.823 1.00 0.00 C ATOM 267 O ARG A 15 33.897 13.898 16.622 1.00 0.00 O ATOM 268 CB ARG A 15 30.552 14.205 17.005 1.00 0.00 C ATOM 269 CG ARG A 15 30.468 15.725 16.852 1.00 0.00 C ATOM 270 CD ARG A 15 29.475 16.323 17.851 1.00 0.00 C ATOM 271 NE ARG A 15 29.318 17.774 17.601 1.00 0.00 N ATOM 272 CZ ARG A 15 28.465 18.296 16.711 1.00 0.00 C ATOM 273 NH1 ARG A 15 27.789 17.490 15.880 1.00 0.00 N ATOM 274 NH2 ARG A 15 28.286 19.622 16.650 1.00 0.00 N ATOM 0 H ARG A 15 30.087 12.220 15.587 1.00 0.00 H new ATOM 0 HA ARG A 15 31.810 14.349 15.274 1.00 0.00 H new ATOM 0 HB2 ARG A 15 29.575 13.762 16.812 1.00 0.00 H new ATOM 0 HB3 ARG A 15 30.819 13.954 18.031 1.00 0.00 H new ATOM 0 HG2 ARG A 15 31.453 16.165 17.006 1.00 0.00 H new ATOM 0 HG3 ARG A 15 30.163 15.975 15.836 1.00 0.00 H new ATOM 0 HD2 ARG A 15 28.510 15.824 17.761 1.00 0.00 H new ATOM 0 HD3 ARG A 15 29.826 16.157 18.869 1.00 0.00 H new ATOM 0 HE ARG A 15 29.897 18.417 18.141 1.00 0.00 H new ATOM 0 HH11 ARG A 15 27.925 16.480 15.926 1.00 0.00 H new ATOM 0 HH12 ARG A 15 27.139 17.887 15.202 1.00 0.00 H new ATOM 0 HH21 ARG A 15 28.800 20.236 17.282 1.00 0.00 H new ATOM 0 HH22 ARG A 15 27.636 20.018 15.971 1.00 0.00 H new ATOM 288 N ASN A 16 32.734 12.282 17.694 1.00 0.00 N ATOM 289 CA ASN A 16 33.833 11.917 18.572 1.00 0.00 C ATOM 290 C ASN A 16 35.068 11.596 17.729 1.00 0.00 C ATOM 291 O ASN A 16 36.172 12.033 18.049 1.00 0.00 O ATOM 292 CB ASN A 16 33.488 10.675 19.398 1.00 0.00 C ATOM 293 CG ASN A 16 34.584 10.378 20.423 1.00 0.00 C ATOM 294 OD1 ASN A 16 35.476 9.577 20.200 1.00 0.00 O ATOM 295 ND2 ASN A 16 34.466 11.065 21.555 1.00 0.00 N ATOM 0 H ASN A 16 31.890 11.721 17.810 1.00 0.00 H new ATOM 0 HA ASN A 16 34.022 12.755 19.242 1.00 0.00 H new ATOM 0 HB2 ASN A 16 32.538 10.826 19.910 1.00 0.00 H new ATOM 0 HB3 ASN A 16 33.361 9.818 18.737 1.00 0.00 H new ATOM 0 HD21 ASN A 16 35.148 10.937 22.303 1.00 0.00 H new ATOM 0 HD22 ASN A 16 33.694 11.720 21.676 1.00 0.00 H new ATOM 302 N ALA A 17 34.840 10.836 16.669 1.00 0.00 N ATOM 303 CA ALA A 17 35.935 10.369 15.833 1.00 0.00 C ATOM 304 C ALA A 17 36.568 11.564 15.118 1.00 0.00 C ATOM 305 O ALA A 17 37.786 11.619 14.952 1.00 0.00 O ATOM 306 CB ALA A 17 35.416 9.311 14.857 1.00 0.00 C ATOM 0 H ALA A 17 33.914 10.531 16.369 1.00 0.00 H new ATOM 0 HA ALA A 17 36.710 9.900 16.439 1.00 0.00 H new ATOM 0 HB1 ALA A 17 36.236 8.961 14.230 1.00 0.00 H new ATOM 0 HB2 ALA A 17 35.003 8.472 15.416 1.00 0.00 H new ATOM 0 HB3 ALA A 17 34.639 9.746 14.228 1.00 0.00 H new ATOM 312 N LEU A 18 35.714 12.491 14.711 1.00 0.00 N ATOM 313 CA LEU A 18 36.173 13.671 13.998 1.00 0.00 C ATOM 314 C LEU A 18 37.049 14.514 14.926 1.00 0.00 C ATOM 315 O LEU A 18 38.084 15.031 14.507 1.00 0.00 O ATOM 316 CB LEU A 18 34.986 14.437 13.410 1.00 0.00 C ATOM 317 CG LEU A 18 35.326 15.722 12.652 1.00 0.00 C ATOM 318 CD1 LEU A 18 36.218 15.428 11.445 1.00 0.00 C ATOM 319 CD2 LEU A 18 34.055 16.478 12.256 1.00 0.00 C ATOM 0 H LEU A 18 34.706 12.449 14.861 1.00 0.00 H new ATOM 0 HA LEU A 18 36.792 13.385 13.147 1.00 0.00 H new ATOM 0 HB2 LEU A 18 34.448 13.772 12.734 1.00 0.00 H new ATOM 0 HB3 LEU A 18 34.303 14.687 14.221 1.00 0.00 H new ATOM 0 HG LEU A 18 35.892 16.372 13.319 1.00 0.00 H new ATOM 0 HD11 LEU A 18 36.444 16.359 10.924 1.00 0.00 H new ATOM 0 HD12 LEU A 18 37.146 14.966 11.782 1.00 0.00 H new ATOM 0 HD13 LEU A 18 35.700 14.750 10.767 1.00 0.00 H new ATOM 0 HD21 LEU A 18 34.325 17.387 11.719 1.00 0.00 H new ATOM 0 HD22 LEU A 18 33.441 15.846 11.614 1.00 0.00 H new ATOM 0 HD23 LEU A 18 33.493 16.740 13.153 1.00 0.00 H new ATOM 331 N LYS A 19 36.604 14.624 16.169 1.00 0.00 N ATOM 332 CA LYS A 19 37.323 15.416 17.154 1.00 0.00 C ATOM 333 C LYS A 19 38.647 14.726 17.487 1.00 0.00 C ATOM 334 O LYS A 19 39.647 15.390 17.758 1.00 0.00 O ATOM 335 CB LYS A 19 36.442 15.679 18.376 1.00 0.00 C ATOM 336 CG LYS A 19 35.313 16.654 18.038 1.00 0.00 C ATOM 337 CD LYS A 19 34.348 16.805 19.216 1.00 0.00 C ATOM 338 CE LYS A 19 34.938 17.711 20.298 1.00 0.00 C ATOM 339 NZ LYS A 19 33.974 17.894 21.405 1.00 0.00 N ATOM 0 H LYS A 19 35.755 14.178 16.517 1.00 0.00 H new ATOM 0 HA LYS A 19 37.567 16.398 16.749 1.00 0.00 H new ATOM 0 HB2 LYS A 19 36.021 14.740 18.734 1.00 0.00 H new ATOM 0 HB3 LYS A 19 37.048 16.086 19.185 1.00 0.00 H new ATOM 0 HG2 LYS A 19 35.732 17.626 17.780 1.00 0.00 H new ATOM 0 HG3 LYS A 19 34.770 16.298 17.162 1.00 0.00 H new ATOM 0 HD2 LYS A 19 33.403 17.220 18.865 1.00 0.00 H new ATOM 0 HD3 LYS A 19 34.128 15.824 19.638 1.00 0.00 H new ATOM 0 HE2 LYS A 19 35.861 17.276 20.681 1.00 0.00 H new ATOM 0 HE3 LYS A 19 35.196 18.679 19.869 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 34.391 18.512 22.130 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 33.103 18.329 21.039 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 33.749 16.970 21.825 1.00 0.00 H new ATOM 353 N LYS A 20 38.613 13.402 17.455 1.00 0.00 N ATOM 354 CA LYS A 20 39.813 12.616 17.685 1.00 0.00 C ATOM 355 C LYS A 20 40.841 12.934 16.598 1.00 0.00 C ATOM 356 O LYS A 20 42.033 13.054 16.881 1.00 0.00 O ATOM 357 CB LYS A 20 39.469 11.129 17.790 1.00 0.00 C ATOM 358 CG LYS A 20 40.634 10.337 18.386 1.00 0.00 C ATOM 359 CD LYS A 20 40.305 8.844 18.453 1.00 0.00 C ATOM 360 CE LYS A 20 41.490 8.045 18.999 1.00 0.00 C ATOM 361 NZ LYS A 20 41.145 6.610 19.100 1.00 0.00 N ATOM 0 H LYS A 20 37.773 12.853 17.273 1.00 0.00 H new ATOM 0 HA LYS A 20 40.265 12.882 18.640 1.00 0.00 H new ATOM 0 HB2 LYS A 20 38.582 11.000 18.410 1.00 0.00 H new ATOM 0 HB3 LYS A 20 39.226 10.738 16.802 1.00 0.00 H new ATOM 0 HG2 LYS A 20 41.529 10.489 17.782 1.00 0.00 H new ATOM 0 HG3 LYS A 20 40.857 10.709 19.386 1.00 0.00 H new ATOM 0 HD2 LYS A 20 39.433 8.688 19.089 1.00 0.00 H new ATOM 0 HD3 LYS A 20 40.044 8.481 17.459 1.00 0.00 H new ATOM 0 HE2 LYS A 20 42.354 8.172 18.346 1.00 0.00 H new ATOM 0 HE3 LYS A 20 41.773 8.427 19.980 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 41.960 6.082 19.472 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 40.334 6.492 19.741 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 40.897 6.245 18.158 1.00 0.00 H new ATOM 375 N LYS A 21 40.343 13.062 15.376 1.00 0.00 N ATOM 376 CA LYS A 21 41.212 13.294 14.235 1.00 0.00 C ATOM 377 C LYS A 21 41.783 14.711 14.314 1.00 0.00 C ATOM 378 O LYS A 21 42.975 14.917 14.089 1.00 0.00 O ATOM 379 CB LYS A 21 40.470 13.003 12.929 1.00 0.00 C ATOM 380 CG LYS A 21 40.277 11.498 12.731 1.00 0.00 C ATOM 381 CD LYS A 21 39.373 11.215 11.530 1.00 0.00 C ATOM 382 CE LYS A 21 39.205 9.709 11.313 1.00 0.00 C ATOM 383 NZ LYS A 21 38.366 9.447 10.123 1.00 0.00 N ATOM 0 H LYS A 21 39.349 13.009 15.152 1.00 0.00 H new ATOM 0 HA LYS A 21 42.058 12.607 14.255 1.00 0.00 H new ATOM 0 HB2 LYS A 21 39.500 13.499 12.940 1.00 0.00 H new ATOM 0 HB3 LYS A 21 41.030 13.415 12.089 1.00 0.00 H new ATOM 0 HG2 LYS A 21 41.245 11.020 12.583 1.00 0.00 H new ATOM 0 HG3 LYS A 21 39.841 11.062 13.630 1.00 0.00 H new ATOM 0 HD2 LYS A 21 38.397 11.674 11.688 1.00 0.00 H new ATOM 0 HD3 LYS A 21 39.798 11.670 10.635 1.00 0.00 H new ATOM 0 HE2 LYS A 21 40.182 9.243 11.186 1.00 0.00 H new ATOM 0 HE3 LYS A 21 38.748 9.257 12.194 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 38.262 8.421 9.990 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 37.428 9.875 10.259 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 38.817 9.861 9.282 1.00 0.00 H new