USER MOD reduce.3.24.130724 H: found=0, std=0, add=148, rem=0, adj=4 USER MOD reduce.3.24.130724 removed 148 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 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 HIS : no HD1:sc= -0.693 X(o=-0.69,f=-1.2) USER MOD Single : A 16 ASN : amide:sc= -0.321 X(o=-0.32,f=-0.012) USER MOD Single : A 17 SER OG : rot 46:sc= 0.408 USER MOD Single : A 18 MET CE :methyl -109:sc= -0.556 (180deg=-2.68!) USER MOD Single : A 26 LYS NZ :NH3+ -157:sc= -0.251 (180deg=-0.807) USER MOD Single : A 27 LYS NZ :NH3+ -125:sc= 0 (180deg=-0.07) USER MOD ----------------------------------------------------------------- ATOM 178 N GLY A 12 -2.866 -2.636 -1.310 1.00 0.00 N ATOM 179 CA GLY A 12 -1.458 -2.705 -0.821 1.00 0.00 C ATOM 180 C GLY A 12 -1.124 -4.167 -0.476 1.00 0.00 C ATOM 181 O GLY A 12 -0.563 -4.434 0.571 1.00 0.00 O ATOM 0 HA2 GLY A 12 -0.775 -2.332 -1.584 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -1.332 -2.072 0.057 1.00 0.00 H new ATOM 185 N LYS A 13 -1.493 -5.114 -1.340 1.00 0.00 N ATOM 186 CA LYS A 13 -1.228 -6.575 -1.062 1.00 0.00 C ATOM 187 C LYS A 13 -0.888 -7.362 -2.348 1.00 0.00 C ATOM 188 O LYS A 13 0.097 -8.063 -2.390 1.00 0.00 O ATOM 189 CB LYS A 13 -2.536 -7.109 -0.480 1.00 0.00 C ATOM 190 CG LYS A 13 -2.613 -6.825 1.025 1.00 0.00 C ATOM 191 CD LYS A 13 -3.592 -7.805 1.690 1.00 0.00 C ATOM 192 CE LYS A 13 -4.977 -7.736 1.009 1.00 0.00 C ATOM 193 NZ LYS A 13 -5.714 -6.617 1.677 1.00 0.00 N ATOM 0 H LYS A 13 -1.966 -4.929 -2.224 1.00 0.00 H new ATOM 0 HA LYS A 13 -0.374 -6.689 -0.394 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -3.382 -6.645 -0.987 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -2.608 -8.182 -0.657 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -1.625 -6.923 1.474 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -2.940 -5.799 1.195 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -3.199 -8.820 1.626 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -3.689 -7.568 2.749 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -4.876 -7.552 -0.061 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -5.514 -8.678 1.122 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -6.660 -6.524 1.255 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -5.806 -6.820 2.693 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -5.188 -5.729 1.547 1.00 0.00 H new ATOM 207 N HIS A 14 -1.730 -7.276 -3.368 1.00 0.00 N ATOM 208 CA HIS A 14 -1.525 -8.047 -4.670 1.00 0.00 C ATOM 209 C HIS A 14 -0.057 -8.075 -5.185 1.00 0.00 C ATOM 210 O HIS A 14 0.461 -9.132 -5.490 1.00 0.00 O ATOM 211 CB HIS A 14 -2.486 -7.415 -5.727 1.00 0.00 C ATOM 212 CG HIS A 14 -2.377 -5.898 -5.768 1.00 0.00 C ATOM 213 ND1 HIS A 14 -1.536 -5.237 -6.650 1.00 0.00 N ATOM 214 CD2 HIS A 14 -2.974 -4.912 -5.016 1.00 0.00 C ATOM 215 CE1 HIS A 14 -1.643 -3.919 -6.402 1.00 0.00 C ATOM 216 NE2 HIS A 14 -2.508 -3.668 -5.419 1.00 0.00 N ATOM 0 H HIS A 14 -2.568 -6.695 -3.358 1.00 0.00 H new ATOM 0 HA HIS A 14 -1.754 -9.097 -4.487 1.00 0.00 H new ATOM 0 HB2 HIS A 14 -2.257 -7.821 -6.712 1.00 0.00 H new ATOM 0 HB3 HIS A 14 -3.513 -7.698 -5.497 1.00 0.00 H new ATOM 0 HD2 HIS A 14 -3.696 -5.081 -4.231 1.00 0.00 H new ATOM 0 HE1 HIS A 14 -1.094 -3.156 -6.935 1.00 0.00 H new ATOM 0 HE2 HIS A 14 -2.771 -2.757 -5.043 1.00 0.00 H new ATOM 224 N LEU A 15 0.557 -6.917 -5.280 1.00 0.00 N ATOM 225 CA LEU A 15 1.985 -6.689 -5.769 1.00 0.00 C ATOM 226 C LEU A 15 2.850 -7.967 -5.912 1.00 0.00 C ATOM 227 O LEU A 15 3.084 -8.415 -7.022 1.00 0.00 O ATOM 228 CB LEU A 15 2.645 -5.723 -4.747 1.00 0.00 C ATOM 229 CG LEU A 15 1.715 -4.554 -4.380 1.00 0.00 C ATOM 230 CD1 LEU A 15 0.879 -4.931 -3.161 1.00 0.00 C ATOM 231 CD2 LEU A 15 2.546 -3.321 -4.049 1.00 0.00 C ATOM 0 H LEU A 15 0.096 -6.046 -5.019 1.00 0.00 H new ATOM 0 HA LEU A 15 1.931 -6.287 -6.781 1.00 0.00 H new ATOM 0 HB2 LEU A 15 2.909 -6.274 -3.844 1.00 0.00 H new ATOM 0 HB3 LEU A 15 3.573 -5.332 -5.164 1.00 0.00 H new ATOM 0 HG LEU A 15 1.061 -4.339 -5.225 1.00 0.00 H new ATOM 0 HD11 LEU A 15 0.220 -4.102 -2.901 1.00 0.00 H new ATOM 0 HD12 LEU A 15 0.280 -5.813 -3.389 1.00 0.00 H new ATOM 0 HD13 LEU A 15 1.538 -5.147 -2.320 1.00 0.00 H new ATOM 0 HD21 LEU A 15 1.884 -2.495 -3.790 1.00 0.00 H new ATOM 0 HD22 LEU A 15 3.201 -3.539 -3.206 1.00 0.00 H new ATOM 0 HD23 LEU A 15 3.148 -3.045 -4.915 1.00 0.00 H new ATOM 243 N ASN A 16 3.344 -8.536 -4.810 1.00 0.00 N ATOM 244 CA ASN A 16 4.226 -9.761 -4.898 1.00 0.00 C ATOM 245 C ASN A 16 4.436 -10.419 -3.509 1.00 0.00 C ATOM 246 O ASN A 16 3.904 -11.482 -3.245 1.00 0.00 O ATOM 247 CB ASN A 16 5.555 -9.237 -5.493 1.00 0.00 C ATOM 248 CG ASN A 16 6.589 -10.364 -5.562 1.00 0.00 C ATOM 249 OD1 ASN A 16 6.522 -11.219 -6.423 1.00 0.00 O ATOM 250 ND2 ASN A 16 7.548 -10.398 -4.682 1.00 0.00 N ATOM 0 H ASN A 16 3.171 -8.201 -3.862 1.00 0.00 H new ATOM 0 HA ASN A 16 3.782 -10.544 -5.513 1.00 0.00 H new ATOM 0 HB2 ASN A 16 5.380 -8.833 -6.490 1.00 0.00 H new ATOM 0 HB3 ASN A 16 5.938 -8.420 -4.881 1.00 0.00 H new ATOM 0 HD21 ASN A 16 8.244 -11.143 -4.715 1.00 0.00 H new ATOM 0 HD22 ASN A 16 7.603 -9.680 -3.960 1.00 0.00 H new ATOM 257 N SER A 17 5.217 -9.794 -2.645 1.00 0.00 N ATOM 258 CA SER A 17 5.507 -10.340 -1.266 1.00 0.00 C ATOM 259 C SER A 17 6.132 -9.212 -0.432 1.00 0.00 C ATOM 260 O SER A 17 5.574 -8.785 0.564 1.00 0.00 O ATOM 261 CB SER A 17 6.498 -11.503 -1.460 1.00 0.00 C ATOM 262 OG SER A 17 5.791 -12.737 -1.421 1.00 0.00 O ATOM 0 H SER A 17 5.677 -8.906 -2.844 1.00 0.00 H new ATOM 0 HA SER A 17 4.614 -10.694 -0.751 1.00 0.00 H new ATOM 0 HB2 SER A 17 7.017 -11.398 -2.413 1.00 0.00 H new ATOM 0 HB3 SER A 17 7.258 -11.482 -0.679 1.00 0.00 H new ATOM 0 HG SER A 17 4.987 -12.671 -1.977 1.00 0.00 H new ATOM 268 N MET A 18 7.261 -8.693 -0.887 1.00 0.00 N ATOM 269 CA MET A 18 7.923 -7.540 -0.201 1.00 0.00 C ATOM 270 C MET A 18 7.411 -6.210 -0.807 1.00 0.00 C ATOM 271 O MET A 18 7.535 -5.169 -0.186 1.00 0.00 O ATOM 272 CB MET A 18 9.427 -7.711 -0.473 1.00 0.00 C ATOM 273 CG MET A 18 10.220 -7.454 0.811 1.00 0.00 C ATOM 274 SD MET A 18 11.125 -5.889 0.665 1.00 0.00 S ATOM 275 CE MET A 18 10.012 -4.867 1.664 1.00 0.00 C ATOM 0 H MET A 18 7.751 -9.030 -1.716 1.00 0.00 H new ATOM 0 HA MET A 18 7.710 -7.516 0.868 1.00 0.00 H new ATOM 0 HB2 MET A 18 9.627 -8.718 -0.839 1.00 0.00 H new ATOM 0 HB3 MET A 18 9.746 -7.019 -1.253 1.00 0.00 H new ATOM 0 HG2 MET A 18 9.545 -7.417 1.666 1.00 0.00 H new ATOM 0 HG3 MET A 18 10.917 -8.273 0.990 1.00 0.00 H new ATOM 0 HE1 MET A 18 9.474 -4.175 1.016 1.00 0.00 H new ATOM 0 HE2 MET A 18 9.299 -5.507 2.184 1.00 0.00 H new ATOM 0 HE3 MET A 18 10.593 -4.303 2.394 1.00 0.00 H new ATOM 285 N GLU A 19 6.831 -6.241 -2.016 1.00 0.00 N ATOM 286 CA GLU A 19 6.312 -4.981 -2.658 1.00 0.00 C ATOM 287 C GLU A 19 5.156 -4.390 -1.841 1.00 0.00 C ATOM 288 O GLU A 19 5.134 -3.206 -1.604 1.00 0.00 O ATOM 289 CB GLU A 19 5.855 -5.376 -4.073 1.00 0.00 C ATOM 290 CG GLU A 19 7.063 -5.815 -4.930 1.00 0.00 C ATOM 291 CD GLU A 19 8.185 -4.758 -4.886 1.00 0.00 C ATOM 292 OE1 GLU A 19 7.992 -3.681 -5.429 1.00 0.00 O ATOM 293 OE2 GLU A 19 9.217 -5.048 -4.302 1.00 0.00 O ATOM 0 H GLU A 19 6.702 -7.087 -2.571 1.00 0.00 H new ATOM 0 HA GLU A 19 7.081 -4.210 -2.701 1.00 0.00 H new ATOM 0 HB2 GLU A 19 5.130 -6.188 -4.014 1.00 0.00 H new ATOM 0 HB3 GLU A 19 5.352 -4.533 -4.548 1.00 0.00 H new ATOM 0 HG2 GLU A 19 7.443 -6.770 -4.567 1.00 0.00 H new ATOM 0 HG3 GLU A 19 6.745 -5.970 -5.961 1.00 0.00 H new ATOM 300 N ARG A 20 4.219 -5.206 -1.383 1.00 0.00 N ATOM 301 CA ARG A 20 3.077 -4.668 -0.532 1.00 0.00 C ATOM 302 C ARG A 20 3.615 -4.053 0.777 1.00 0.00 C ATOM 303 O ARG A 20 3.060 -3.084 1.270 1.00 0.00 O ATOM 304 CB ARG A 20 2.107 -5.834 -0.210 1.00 0.00 C ATOM 305 CG ARG A 20 2.844 -7.112 0.224 1.00 0.00 C ATOM 306 CD ARG A 20 2.796 -8.127 -0.925 1.00 0.00 C ATOM 307 NE ARG A 20 1.807 -9.174 -0.505 1.00 0.00 N ATOM 308 CZ ARG A 20 1.861 -10.380 -1.018 1.00 0.00 C ATOM 309 NH1 ARG A 20 1.367 -10.607 -2.217 1.00 0.00 N ATOM 310 NH2 ARG A 20 2.402 -11.360 -0.328 1.00 0.00 N ATOM 0 H ARG A 20 4.191 -6.211 -1.557 1.00 0.00 H new ATOM 0 HA ARG A 20 2.553 -3.886 -1.082 1.00 0.00 H new ATOM 0 HB2 ARG A 20 1.424 -5.526 0.582 1.00 0.00 H new ATOM 0 HB3 ARG A 20 1.499 -6.050 -1.089 1.00 0.00 H new ATOM 0 HG2 ARG A 20 3.878 -6.882 0.481 1.00 0.00 H new ATOM 0 HG3 ARG A 20 2.379 -7.531 1.117 1.00 0.00 H new ATOM 0 HD2 ARG A 20 2.489 -7.650 -1.856 1.00 0.00 H new ATOM 0 HD3 ARG A 20 3.778 -8.565 -1.101 1.00 0.00 H new ATOM 0 HE ARG A 20 1.089 -8.947 0.183 1.00 0.00 H new ATOM 0 HH11 ARG A 20 0.943 -9.845 -2.746 1.00 0.00 H new ATOM 0 HH12 ARG A 20 1.409 -11.545 -2.617 1.00 0.00 H new ATOM 0 HH21 ARG A 20 2.778 -11.181 0.603 1.00 0.00 H new ATOM 0 HH22 ARG A 20 2.446 -12.299 -0.724 1.00 0.00 H new ATOM 324 N VAL A 21 4.701 -4.599 1.326 1.00 0.00 N ATOM 325 CA VAL A 21 5.295 -4.037 2.593 1.00 0.00 C ATOM 326 C VAL A 21 5.813 -2.613 2.318 1.00 0.00 C ATOM 327 O VAL A 21 5.385 -1.679 2.965 1.00 0.00 O ATOM 328 CB VAL A 21 6.455 -4.984 2.996 1.00 0.00 C ATOM 329 CG1 VAL A 21 7.211 -4.411 4.206 1.00 0.00 C ATOM 330 CG2 VAL A 21 5.899 -6.369 3.365 1.00 0.00 C ATOM 0 H VAL A 21 5.193 -5.407 0.945 1.00 0.00 H new ATOM 0 HA VAL A 21 4.563 -3.975 3.398 1.00 0.00 H new ATOM 0 HB VAL A 21 7.136 -5.075 2.150 1.00 0.00 H new ATOM 0 HG11 VAL A 21 8.023 -5.084 4.480 1.00 0.00 H new ATOM 0 HG12 VAL A 21 7.621 -3.434 3.950 1.00 0.00 H new ATOM 0 HG13 VAL A 21 6.526 -4.308 5.047 1.00 0.00 H new ATOM 0 HG21 VAL A 21 6.721 -7.028 3.647 1.00 0.00 H new ATOM 0 HG22 VAL A 21 5.208 -6.272 4.202 1.00 0.00 H new ATOM 0 HG23 VAL A 21 5.374 -6.790 2.508 1.00 0.00 H new ATOM 340 N GLU A 22 6.714 -2.453 1.355 1.00 0.00 N ATOM 341 CA GLU A 22 7.261 -1.083 1.021 1.00 0.00 C ATOM 342 C GLU A 22 6.161 -0.160 0.453 1.00 0.00 C ATOM 343 O GLU A 22 6.127 1.009 0.776 1.00 0.00 O ATOM 344 CB GLU A 22 8.413 -1.292 0.000 1.00 0.00 C ATOM 345 CG GLU A 22 7.907 -1.947 -1.302 1.00 0.00 C ATOM 346 CD GLU A 22 9.068 -2.588 -2.071 1.00 0.00 C ATOM 347 OE1 GLU A 22 9.557 -3.616 -1.627 1.00 0.00 O ATOM 348 OE2 GLU A 22 9.437 -2.052 -3.102 1.00 0.00 O ATOM 0 H GLU A 22 7.091 -3.213 0.789 1.00 0.00 H new ATOM 0 HA GLU A 22 7.632 -0.589 1.919 1.00 0.00 H new ATOM 0 HB2 GLU A 22 8.874 -0.332 -0.231 1.00 0.00 H new ATOM 0 HB3 GLU A 22 9.186 -1.918 0.446 1.00 0.00 H new ATOM 0 HG2 GLU A 22 7.158 -2.703 -1.068 1.00 0.00 H new ATOM 0 HG3 GLU A 22 7.420 -1.198 -1.926 1.00 0.00 H new ATOM 355 N TRP A 23 5.262 -0.677 -0.372 1.00 0.00 N ATOM 356 CA TRP A 23 4.168 0.142 -0.964 1.00 0.00 C ATOM 357 C TRP A 23 3.266 0.771 0.113 1.00 0.00 C ATOM 358 O TRP A 23 2.771 1.862 -0.083 1.00 0.00 O ATOM 359 CB TRP A 23 3.424 -0.866 -1.842 1.00 0.00 C ATOM 360 CG TRP A 23 2.430 -0.189 -2.686 1.00 0.00 C ATOM 361 CD1 TRP A 23 2.609 0.155 -3.961 1.00 0.00 C ATOM 362 CD2 TRP A 23 1.110 0.206 -2.318 1.00 0.00 C ATOM 363 NE1 TRP A 23 1.442 0.753 -4.422 1.00 0.00 N ATOM 364 CE2 TRP A 23 0.480 0.804 -3.422 1.00 0.00 C ATOM 365 CE3 TRP A 23 0.424 0.091 -1.122 1.00 0.00 C ATOM 366 CZ2 TRP A 23 -0.828 1.282 -3.335 1.00 0.00 C ATOM 367 CZ3 TRP A 23 -0.888 0.565 -1.013 1.00 0.00 C ATOM 368 CH2 TRP A 23 -1.518 1.160 -2.121 1.00 0.00 C ATOM 0 H TRP A 23 5.253 -1.656 -0.658 1.00 0.00 H new ATOM 0 HA TRP A 23 4.531 1.002 -1.527 1.00 0.00 H new ATOM 0 HB2 TRP A 23 4.135 -1.403 -2.470 1.00 0.00 H new ATOM 0 HB3 TRP A 23 2.930 -1.607 -1.214 1.00 0.00 H new ATOM 0 HD1 TRP A 23 3.508 -0.004 -4.538 1.00 0.00 H new ATOM 0 HE1 TRP A 23 1.310 1.107 -5.369 1.00 0.00 H new ATOM 0 HE3 TRP A 23 0.903 -0.366 -0.269 1.00 0.00 H new ATOM 0 HZ2 TRP A 23 -1.302 1.739 -4.191 1.00 0.00 H new ATOM 0 HZ3 TRP A 23 -1.418 0.474 -0.076 1.00 0.00 H new ATOM 0 HH2 TRP A 23 -2.532 1.522 -2.036 1.00 0.00 H new ATOM 379 N LEU A 24 3.077 0.127 1.253 1.00 0.00 N ATOM 380 CA LEU A 24 2.228 0.749 2.332 1.00 0.00 C ATOM 381 C LEU A 24 3.059 1.740 3.205 1.00 0.00 C ATOM 382 O LEU A 24 2.628 2.115 4.285 1.00 0.00 O ATOM 383 CB LEU A 24 1.699 -0.432 3.173 1.00 0.00 C ATOM 384 CG LEU A 24 0.526 -1.121 2.448 1.00 0.00 C ATOM 385 CD1 LEU A 24 0.245 -2.477 3.102 1.00 0.00 C ATOM 386 CD2 LEU A 24 -0.735 -0.248 2.536 1.00 0.00 C ATOM 0 H LEU A 24 3.468 -0.788 1.479 1.00 0.00 H new ATOM 0 HA LEU A 24 1.412 1.337 1.911 1.00 0.00 H new ATOM 0 HB2 LEU A 24 2.500 -1.150 3.348 1.00 0.00 H new ATOM 0 HB3 LEU A 24 1.372 -0.075 4.150 1.00 0.00 H new ATOM 0 HG LEU A 24 0.793 -1.263 1.401 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -0.585 -2.964 2.589 1.00 0.00 H new ATOM 0 HD12 LEU A 24 1.133 -3.105 3.033 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -0.014 -2.329 4.150 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -1.558 -0.744 2.021 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -1.001 -0.097 3.582 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -0.543 0.717 2.068 1.00 0.00 H new ATOM 398 N ARG A 25 4.237 2.178 2.741 1.00 0.00 N ATOM 399 CA ARG A 25 5.087 3.149 3.530 1.00 0.00 C ATOM 400 C ARG A 25 5.720 4.199 2.592 1.00 0.00 C ATOM 401 O ARG A 25 5.643 5.385 2.874 1.00 0.00 O ATOM 402 CB ARG A 25 6.220 2.366 4.266 1.00 0.00 C ATOM 403 CG ARG A 25 6.071 0.838 4.156 1.00 0.00 C ATOM 404 CD ARG A 25 7.023 0.139 5.139 1.00 0.00 C ATOM 405 NE ARG A 25 8.261 -0.185 4.353 1.00 0.00 N ATOM 406 CZ ARG A 25 8.927 -1.304 4.566 1.00 0.00 C ATOM 407 NH1 ARG A 25 9.118 -1.753 5.793 1.00 0.00 N ATOM 408 NH2 ARG A 25 9.426 -1.965 3.544 1.00 0.00 N ATOM 0 H ARG A 25 4.637 1.897 1.846 1.00 0.00 H new ATOM 0 HA ARG A 25 4.454 3.660 4.256 1.00 0.00 H new ATOM 0 HB2 ARG A 25 7.184 2.661 3.853 1.00 0.00 H new ATOM 0 HB3 ARG A 25 6.224 2.649 5.319 1.00 0.00 H new ATOM 0 HG2 ARG A 25 5.042 0.550 4.368 1.00 0.00 H new ATOM 0 HG3 ARG A 25 6.288 0.517 3.137 1.00 0.00 H new ATOM 0 HD2 ARG A 25 7.255 0.786 5.985 1.00 0.00 H new ATOM 0 HD3 ARG A 25 6.570 -0.766 5.545 1.00 0.00 H new ATOM 0 HE ARG A 25 8.592 0.470 3.644 1.00 0.00 H new ATOM 0 HH11 ARG A 25 8.749 -1.233 6.589 1.00 0.00 H new ATOM 0 HH12 ARG A 25 9.635 -2.619 5.944 1.00 0.00 H new ATOM 0 HH21 ARG A 25 9.297 -1.612 2.596 1.00 0.00 H new ATOM 0 HH22 ARG A 25 9.942 -2.831 3.700 1.00 0.00 H new ATOM 422 N LYS A 26 6.347 3.783 1.484 1.00 0.00 N ATOM 423 CA LYS A 26 6.983 4.798 0.556 1.00 0.00 C ATOM 424 C LYS A 26 6.015 5.340 -0.524 1.00 0.00 C ATOM 425 O LYS A 26 6.400 6.211 -1.285 1.00 0.00 O ATOM 426 CB LYS A 26 8.282 4.175 -0.051 1.00 0.00 C ATOM 427 CG LYS A 26 8.072 2.795 -0.705 1.00 0.00 C ATOM 428 CD LYS A 26 6.866 2.832 -1.632 1.00 0.00 C ATOM 429 CE LYS A 26 6.877 1.619 -2.574 1.00 0.00 C ATOM 430 NZ LYS A 26 5.789 1.871 -3.572 1.00 0.00 N ATOM 0 H LYS A 26 6.440 2.809 1.196 1.00 0.00 H new ATOM 0 HA LYS A 26 7.246 5.681 1.138 1.00 0.00 H new ATOM 0 HB2 LYS A 26 8.687 4.860 -0.796 1.00 0.00 H new ATOM 0 HB3 LYS A 26 9.030 4.082 0.737 1.00 0.00 H new ATOM 0 HG2 LYS A 26 8.962 2.511 -1.266 1.00 0.00 H new ATOM 0 HG3 LYS A 26 7.925 2.038 0.065 1.00 0.00 H new ATOM 0 HD2 LYS A 26 5.948 2.836 -1.045 1.00 0.00 H new ATOM 0 HD3 LYS A 26 6.875 3.753 -2.215 1.00 0.00 H new ATOM 0 HE2 LYS A 26 7.844 1.515 -3.067 1.00 0.00 H new ATOM 0 HE3 LYS A 26 6.698 0.695 -2.024 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 5.477 0.967 -3.981 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 4.985 2.333 -3.100 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 6.148 2.488 -4.328 1.00 0.00 H new ATOM 444 N LYS A 27 4.772 4.858 -0.597 1.00 0.00 N ATOM 445 CA LYS A 27 3.801 5.381 -1.621 1.00 0.00 C ATOM 446 C LYS A 27 3.564 6.876 -1.422 1.00 0.00 C ATOM 447 O LYS A 27 3.765 7.663 -2.333 1.00 0.00 O ATOM 448 CB LYS A 27 2.490 4.619 -1.387 1.00 0.00 C ATOM 449 CG LYS A 27 2.254 3.702 -2.571 1.00 0.00 C ATOM 450 CD LYS A 27 1.010 4.147 -3.365 1.00 0.00 C ATOM 451 CE LYS A 27 1.160 5.605 -3.855 1.00 0.00 C ATOM 452 NZ LYS A 27 2.130 5.571 -4.996 1.00 0.00 N ATOM 0 H LYS A 27 4.401 4.128 0.011 1.00 0.00 H new ATOM 0 HA LYS A 27 4.183 5.239 -2.632 1.00 0.00 H new ATOM 0 HB2 LYS A 27 2.546 4.041 -0.465 1.00 0.00 H new ATOM 0 HB3 LYS A 27 1.660 5.317 -1.276 1.00 0.00 H new ATOM 0 HG2 LYS A 27 3.128 3.708 -3.222 1.00 0.00 H new ATOM 0 HG3 LYS A 27 2.122 2.677 -2.223 1.00 0.00 H new ATOM 0 HD2 LYS A 27 0.863 3.486 -4.219 1.00 0.00 H new ATOM 0 HD3 LYS A 27 0.123 4.060 -2.738 1.00 0.00 H new ATOM 0 HE2 LYS A 27 0.199 6.008 -4.174 1.00 0.00 H new ATOM 0 HE3 LYS A 27 1.525 6.248 -3.054 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 2.912 6.230 -4.807 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 2.507 4.608 -5.103 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 1.645 5.852 -5.872 1.00 0.00 H new