USER MOD reduce.3.24.130724 H: found=0, std=0, add=148, rem=0, adj=3 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= -0.993 X(o=-0.99,f=-1.2) USER MOD Single : A 16 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 18 MET CE :methyl -106:sc= 0 (180deg=-0.1) USER MOD Single : A 26 LYS NZ :NH3+ -150:sc= -0.179 (180deg=-0.759) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 178 N GLY A 12 -2.710 -2.198 -0.947 1.00 0.00 N ATOM 179 CA GLY A 12 -1.356 -2.323 -0.322 1.00 0.00 C ATOM 180 C GLY A 12 -1.014 -3.796 -0.032 1.00 0.00 C ATOM 181 O GLY A 12 -0.431 -4.090 0.998 1.00 0.00 O ATOM 0 HA2 GLY A 12 -0.605 -1.896 -0.986 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -1.325 -1.750 0.605 1.00 0.00 H new ATOM 185 N LYS A 13 -1.358 -4.717 -0.928 1.00 0.00 N ATOM 186 CA LYS A 13 -1.032 -6.180 -0.701 1.00 0.00 C ATOM 187 C LYS A 13 -0.983 -6.999 -2.024 1.00 0.00 C ATOM 188 O LYS A 13 -0.175 -7.900 -2.153 1.00 0.00 O ATOM 189 CB LYS A 13 -2.104 -6.700 0.298 1.00 0.00 C ATOM 190 CG LYS A 13 -3.292 -7.395 -0.397 1.00 0.00 C ATOM 191 CD LYS A 13 -4.255 -6.351 -0.977 1.00 0.00 C ATOM 192 CE LYS A 13 -5.562 -6.356 -0.178 1.00 0.00 C ATOM 193 NZ LYS A 13 -6.667 -6.389 -1.187 1.00 0.00 N ATOM 0 H LYS A 13 -1.847 -4.518 -1.800 1.00 0.00 H new ATOM 0 HA LYS A 13 -0.029 -6.300 -0.291 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -1.637 -7.399 0.991 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -2.476 -5.864 0.890 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -2.927 -8.045 -1.193 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -3.819 -8.029 0.316 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -3.799 -5.362 -0.941 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -4.457 -6.571 -2.025 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -5.612 -7.222 0.482 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -5.637 -5.470 0.452 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -7.584 -6.394 -0.697 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -6.605 -5.549 -1.798 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -6.581 -7.247 -1.768 1.00 0.00 H new ATOM 207 N HIS A 14 -1.851 -6.704 -2.983 1.00 0.00 N ATOM 208 CA HIS A 14 -1.893 -7.464 -4.300 1.00 0.00 C ATOM 209 C HIS A 14 -0.503 -7.588 -4.973 1.00 0.00 C ATOM 210 O HIS A 14 -0.150 -8.641 -5.471 1.00 0.00 O ATOM 211 CB HIS A 14 -2.896 -6.710 -5.229 1.00 0.00 C ATOM 212 CG HIS A 14 -2.609 -5.216 -5.274 1.00 0.00 C ATOM 213 ND1 HIS A 14 -1.745 -4.646 -6.199 1.00 0.00 N ATOM 214 CD2 HIS A 14 -3.028 -4.181 -4.474 1.00 0.00 C ATOM 215 CE1 HIS A 14 -1.670 -3.331 -5.924 1.00 0.00 C ATOM 216 NE2 HIS A 14 -2.435 -2.997 -4.888 1.00 0.00 N ATOM 0 H HIS A 14 -2.543 -5.958 -2.909 1.00 0.00 H new ATOM 0 HA HIS A 14 -2.214 -8.489 -4.114 1.00 0.00 H new ATOM 0 HB2 HIS A 14 -2.839 -7.122 -6.237 1.00 0.00 H new ATOM 0 HB3 HIS A 14 -3.914 -6.874 -4.875 1.00 0.00 H new ATOM 0 HD2 HIS A 14 -3.716 -4.275 -3.647 1.00 0.00 H new ATOM 0 HE1 HIS A 14 -1.062 -2.631 -6.478 1.00 0.00 H new ATOM 0 HE2 HIS A 14 -2.559 -2.069 -4.484 1.00 0.00 H new ATOM 224 N LEU A 15 0.231 -6.499 -4.979 1.00 0.00 N ATOM 225 CA LEU A 15 1.622 -6.364 -5.590 1.00 0.00 C ATOM 226 C LEU A 15 2.370 -7.710 -5.773 1.00 0.00 C ATOM 227 O LEU A 15 2.504 -8.178 -6.891 1.00 0.00 O ATOM 228 CB LEU A 15 2.432 -5.442 -4.632 1.00 0.00 C ATOM 229 CG LEU A 15 1.618 -4.214 -4.183 1.00 0.00 C ATOM 230 CD1 LEU A 15 0.897 -4.526 -2.870 1.00 0.00 C ATOM 231 CD2 LEU A 15 2.550 -3.025 -3.966 1.00 0.00 C ATOM 0 H LEU A 15 -0.094 -5.630 -4.556 1.00 0.00 H new ATOM 0 HA LEU A 15 1.520 -5.956 -6.596 1.00 0.00 H new ATOM 0 HB2 LEU A 15 2.740 -6.012 -3.756 1.00 0.00 H new ATOM 0 HB3 LEU A 15 3.342 -5.110 -5.132 1.00 0.00 H new ATOM 0 HG LEU A 15 0.889 -3.972 -4.956 1.00 0.00 H new ATOM 0 HD11 LEU A 15 0.322 -3.655 -2.555 1.00 0.00 H new ATOM 0 HD12 LEU A 15 0.225 -5.371 -3.016 1.00 0.00 H new ATOM 0 HD13 LEU A 15 1.630 -4.774 -2.102 1.00 0.00 H new ATOM 0 HD21 LEU A 15 1.968 -2.160 -3.649 1.00 0.00 H new ATOM 0 HD22 LEU A 15 3.282 -3.272 -3.197 1.00 0.00 H new ATOM 0 HD23 LEU A 15 3.067 -2.793 -4.897 1.00 0.00 H new ATOM 243 N ASN A 16 2.868 -8.320 -4.694 1.00 0.00 N ATOM 244 CA ASN A 16 3.626 -9.619 -4.815 1.00 0.00 C ATOM 245 C ASN A 16 3.842 -10.269 -3.425 1.00 0.00 C ATOM 246 O ASN A 16 3.228 -11.274 -3.111 1.00 0.00 O ATOM 247 CB ASN A 16 4.965 -9.230 -5.485 1.00 0.00 C ATOM 248 CG ASN A 16 5.887 -10.449 -5.581 1.00 0.00 C ATOM 249 OD1 ASN A 16 5.710 -11.297 -6.433 1.00 0.00 O ATOM 250 ND2 ASN A 16 6.869 -10.570 -4.734 1.00 0.00 N ATOM 0 H ASN A 16 2.777 -7.967 -3.741 1.00 0.00 H new ATOM 0 HA ASN A 16 3.086 -10.364 -5.400 1.00 0.00 H new ATOM 0 HB2 ASN A 16 4.778 -8.828 -6.481 1.00 0.00 H new ATOM 0 HB3 ASN A 16 5.452 -8.442 -4.910 1.00 0.00 H new ATOM 0 HD21 ASN A 16 7.490 -11.377 -4.786 1.00 0.00 H new ATOM 0 HD22 ASN A 16 7.017 -9.858 -4.019 1.00 0.00 H new ATOM 257 N SER A 17 4.715 -9.698 -2.613 1.00 0.00 N ATOM 258 CA SER A 17 5.021 -10.240 -1.237 1.00 0.00 C ATOM 259 C SER A 17 5.815 -9.171 -0.468 1.00 0.00 C ATOM 260 O SER A 17 5.389 -8.702 0.574 1.00 0.00 O ATOM 261 CB SER A 17 5.863 -11.509 -1.456 1.00 0.00 C ATOM 262 OG SER A 17 6.063 -12.165 -0.209 1.00 0.00 O ATOM 0 H SER A 17 5.241 -8.858 -2.854 1.00 0.00 H new ATOM 0 HA SER A 17 4.126 -10.478 -0.662 1.00 0.00 H new ATOM 0 HB2 SER A 17 5.359 -12.177 -2.154 1.00 0.00 H new ATOM 0 HB3 SER A 17 6.824 -11.249 -1.901 1.00 0.00 H new ATOM 0 HG SER A 17 6.598 -12.975 -0.347 1.00 0.00 H new ATOM 268 N MET A 18 6.939 -8.749 -1.026 1.00 0.00 N ATOM 269 CA MET A 18 7.759 -7.658 -0.408 1.00 0.00 C ATOM 270 C MET A 18 7.399 -6.300 -1.060 1.00 0.00 C ATOM 271 O MET A 18 7.724 -5.257 -0.514 1.00 0.00 O ATOM 272 CB MET A 18 9.226 -8.022 -0.693 1.00 0.00 C ATOM 273 CG MET A 18 9.807 -8.811 0.488 1.00 0.00 C ATOM 274 SD MET A 18 10.097 -7.696 1.889 1.00 0.00 S ATOM 275 CE MET A 18 11.693 -7.037 1.344 1.00 0.00 C ATOM 0 H MET A 18 7.321 -9.124 -1.894 1.00 0.00 H new ATOM 0 HA MET A 18 7.576 -7.565 0.663 1.00 0.00 H new ATOM 0 HB2 MET A 18 9.292 -8.615 -1.605 1.00 0.00 H new ATOM 0 HB3 MET A 18 9.809 -7.116 -0.858 1.00 0.00 H new ATOM 0 HG2 MET A 18 9.120 -9.605 0.780 1.00 0.00 H new ATOM 0 HG3 MET A 18 10.741 -9.290 0.193 1.00 0.00 H new ATOM 0 HE1 MET A 18 12.491 -7.469 1.948 1.00 0.00 H new ATOM 0 HE2 MET A 18 11.853 -7.292 0.296 1.00 0.00 H new ATOM 0 HE3 MET A 18 11.697 -5.953 1.459 1.00 0.00 H new ATOM 285 N GLU A 19 6.717 -6.303 -2.216 1.00 0.00 N ATOM 286 CA GLU A 19 6.324 -5.015 -2.891 1.00 0.00 C ATOM 287 C GLU A 19 5.321 -4.239 -2.025 1.00 0.00 C ATOM 288 O GLU A 19 5.415 -3.037 -1.924 1.00 0.00 O ATOM 289 CB GLU A 19 5.708 -5.408 -4.245 1.00 0.00 C ATOM 290 CG GLU A 19 6.782 -6.016 -5.172 1.00 0.00 C ATOM 291 CD GLU A 19 7.988 -5.065 -5.313 1.00 0.00 C ATOM 292 OE1 GLU A 19 7.828 -4.007 -5.903 1.00 0.00 O ATOM 293 OE2 GLU A 19 9.049 -5.415 -4.823 1.00 0.00 O ATOM 0 H GLU A 19 6.424 -7.148 -2.707 1.00 0.00 H new ATOM 0 HA GLU A 19 7.183 -4.359 -3.034 1.00 0.00 H new ATOM 0 HB2 GLU A 19 4.904 -6.127 -4.090 1.00 0.00 H new ATOM 0 HB3 GLU A 19 5.265 -4.531 -4.718 1.00 0.00 H new ATOM 0 HG2 GLU A 19 7.114 -6.974 -4.772 1.00 0.00 H new ATOM 0 HG3 GLU A 19 6.352 -6.213 -6.154 1.00 0.00 H new ATOM 300 N ARG A 20 4.390 -4.921 -1.372 1.00 0.00 N ATOM 301 CA ARG A 20 3.410 -4.204 -0.461 1.00 0.00 C ATOM 302 C ARG A 20 4.153 -3.598 0.745 1.00 0.00 C ATOM 303 O ARG A 20 3.784 -2.538 1.217 1.00 0.00 O ATOM 304 CB ARG A 20 2.344 -5.217 0.030 1.00 0.00 C ATOM 305 CG ARG A 20 2.954 -6.561 0.456 1.00 0.00 C ATOM 306 CD ARG A 20 2.640 -7.607 -0.619 1.00 0.00 C ATOM 307 NE ARG A 20 1.599 -8.494 -0.016 1.00 0.00 N ATOM 308 CZ ARG A 20 1.708 -9.796 -0.105 1.00 0.00 C ATOM 309 NH1 ARG A 20 1.219 -10.422 -1.152 1.00 0.00 N ATOM 310 NH2 ARG A 20 2.302 -10.469 0.856 1.00 0.00 N ATOM 0 H ARG A 20 4.266 -5.932 -1.428 1.00 0.00 H new ATOM 0 HA ARG A 20 2.925 -3.397 -1.011 1.00 0.00 H new ATOM 0 HB2 ARG A 20 1.800 -4.787 0.871 1.00 0.00 H new ATOM 0 HB3 ARG A 20 1.618 -5.388 -0.765 1.00 0.00 H new ATOM 0 HG2 ARG A 20 4.032 -6.463 0.584 1.00 0.00 H new ATOM 0 HG3 ARG A 20 2.546 -6.873 1.417 1.00 0.00 H new ATOM 0 HD2 ARG A 20 2.274 -7.136 -1.531 1.00 0.00 H new ATOM 0 HD3 ARG A 20 3.531 -8.174 -0.888 1.00 0.00 H new ATOM 0 HE ARG A 20 0.800 -8.083 0.467 1.00 0.00 H new ATOM 0 HH11 ARG A 20 0.756 -9.894 -1.892 1.00 0.00 H new ATOM 0 HH12 ARG A 20 1.302 -11.436 -1.225 1.00 0.00 H new ATOM 0 HH21 ARG A 20 2.676 -9.977 1.667 1.00 0.00 H new ATOM 0 HH22 ARG A 20 2.389 -11.483 0.790 1.00 0.00 H new ATOM 324 N VAL A 21 5.207 -4.257 1.229 1.00 0.00 N ATOM 325 CA VAL A 21 5.996 -3.713 2.395 1.00 0.00 C ATOM 326 C VAL A 21 6.605 -2.354 2.001 1.00 0.00 C ATOM 327 O VAL A 21 6.347 -1.364 2.654 1.00 0.00 O ATOM 328 CB VAL A 21 7.104 -4.750 2.710 1.00 0.00 C ATOM 329 CG1 VAL A 21 8.019 -4.222 3.828 1.00 0.00 C ATOM 330 CG2 VAL A 21 6.472 -6.075 3.167 1.00 0.00 C ATOM 0 H VAL A 21 5.547 -5.146 0.861 1.00 0.00 H new ATOM 0 HA VAL A 21 5.370 -3.556 3.274 1.00 0.00 H new ATOM 0 HB VAL A 21 7.689 -4.916 1.805 1.00 0.00 H new ATOM 0 HG11 VAL A 21 8.794 -4.958 4.042 1.00 0.00 H new ATOM 0 HG12 VAL A 21 8.483 -3.289 3.508 1.00 0.00 H new ATOM 0 HG13 VAL A 21 7.429 -4.044 4.727 1.00 0.00 H new ATOM 0 HG21 VAL A 21 7.259 -6.797 3.386 1.00 0.00 H new ATOM 0 HG22 VAL A 21 5.877 -5.904 4.064 1.00 0.00 H new ATOM 0 HG23 VAL A 21 5.832 -6.465 2.376 1.00 0.00 H new ATOM 340 N GLU A 22 7.387 -2.309 0.927 1.00 0.00 N ATOM 341 CA GLU A 22 8.004 -1.004 0.471 1.00 0.00 C ATOM 342 C GLU A 22 6.920 -0.007 0.007 1.00 0.00 C ATOM 343 O GLU A 22 7.047 1.175 0.242 1.00 0.00 O ATOM 344 CB GLU A 22 8.994 -1.347 -0.674 1.00 0.00 C ATOM 345 CG GLU A 22 8.272 -1.994 -1.873 1.00 0.00 C ATOM 346 CD GLU A 22 9.255 -2.813 -2.718 1.00 0.00 C ATOM 347 OE1 GLU A 22 9.657 -3.876 -2.267 1.00 0.00 O ATOM 348 OE2 GLU A 22 9.575 -2.375 -3.810 1.00 0.00 O ATOM 0 H GLU A 22 7.622 -3.118 0.351 1.00 0.00 H new ATOM 0 HA GLU A 22 8.530 -0.517 1.292 1.00 0.00 H new ATOM 0 HB2 GLU A 22 9.502 -0.440 -1.001 1.00 0.00 H new ATOM 0 HB3 GLU A 22 9.761 -2.025 -0.301 1.00 0.00 H new ATOM 0 HG2 GLU A 22 7.468 -2.637 -1.516 1.00 0.00 H new ATOM 0 HG3 GLU A 22 7.812 -1.220 -2.488 1.00 0.00 H new ATOM 355 N TRP A 23 5.862 -0.478 -0.638 1.00 0.00 N ATOM 356 CA TRP A 23 4.766 0.411 -1.118 1.00 0.00 C ATOM 357 C TRP A 23 4.014 1.085 0.043 1.00 0.00 C ATOM 358 O TRP A 23 3.586 2.214 -0.095 1.00 0.00 O ATOM 359 CB TRP A 23 3.877 -0.552 -1.909 1.00 0.00 C ATOM 360 CG TRP A 23 2.799 0.174 -2.594 1.00 0.00 C ATOM 361 CD1 TRP A 23 2.826 0.557 -3.868 1.00 0.00 C ATOM 362 CD2 TRP A 23 1.544 0.586 -2.050 1.00 0.00 C ATOM 363 NE1 TRP A 23 1.628 1.197 -4.161 1.00 0.00 N ATOM 364 CE2 TRP A 23 0.799 1.235 -3.049 1.00 0.00 C ATOM 365 CE3 TRP A 23 1.006 0.447 -0.782 1.00 0.00 C ATOM 366 CZ2 TRP A 23 -0.477 1.738 -2.785 1.00 0.00 C ATOM 367 CZ3 TRP A 23 -0.271 0.946 -0.497 1.00 0.00 C ATOM 368 CH2 TRP A 23 -1.016 1.592 -1.499 1.00 0.00 C ATOM 0 H TRP A 23 5.722 -1.466 -0.850 1.00 0.00 H new ATOM 0 HA TRP A 23 5.122 1.251 -1.715 1.00 0.00 H new ATOM 0 HB2 TRP A 23 4.479 -1.092 -2.640 1.00 0.00 H new ATOM 0 HB3 TRP A 23 3.450 -1.295 -1.236 1.00 0.00 H new ATOM 0 HD1 TRP A 23 3.641 0.397 -4.558 1.00 0.00 H new ATOM 0 HE1 TRP A 23 1.390 1.587 -5.073 1.00 0.00 H new ATOM 0 HE3 TRP A 23 1.574 -0.049 -0.009 1.00 0.00 H new ATOM 0 HZ2 TRP A 23 -1.041 2.233 -3.562 1.00 0.00 H new ATOM 0 HZ3 TRP A 23 -0.684 0.834 0.495 1.00 0.00 H new ATOM 0 HH2 TRP A 23 -2.001 1.975 -1.279 1.00 0.00 H new ATOM 379 N LEU A 24 3.856 0.424 1.175 1.00 0.00 N ATOM 380 CA LEU A 24 3.130 1.064 2.333 1.00 0.00 C ATOM 381 C LEU A 24 4.011 2.119 3.063 1.00 0.00 C ATOM 382 O LEU A 24 3.525 2.797 3.954 1.00 0.00 O ATOM 383 CB LEU A 24 2.763 -0.091 3.284 1.00 0.00 C ATOM 384 CG LEU A 24 1.560 -0.878 2.729 1.00 0.00 C ATOM 385 CD1 LEU A 24 1.476 -2.242 3.420 1.00 0.00 C ATOM 386 CD2 LEU A 24 0.261 -0.100 2.984 1.00 0.00 C ATOM 0 H LEU A 24 4.195 -0.523 1.347 1.00 0.00 H new ATOM 0 HA LEU A 24 2.249 1.604 1.986 1.00 0.00 H new ATOM 0 HB2 LEU A 24 3.617 -0.757 3.405 1.00 0.00 H new ATOM 0 HB3 LEU A 24 2.524 0.304 4.271 1.00 0.00 H new ATOM 0 HG LEU A 24 1.692 -1.017 1.656 1.00 0.00 H new ATOM 0 HD11 LEU A 24 0.625 -2.797 3.026 1.00 0.00 H new ATOM 0 HD12 LEU A 24 2.392 -2.802 3.233 1.00 0.00 H new ATOM 0 HD13 LEU A 24 1.351 -2.099 4.493 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -0.584 -0.663 2.589 1.00 0.00 H new ATOM 0 HD22 LEU A 24 0.129 0.047 4.056 1.00 0.00 H new ATOM 0 HD23 LEU A 24 0.314 0.870 2.489 1.00 0.00 H new ATOM 398 N ARG A 25 5.285 2.269 2.696 1.00 0.00 N ATOM 399 CA ARG A 25 6.180 3.287 3.374 1.00 0.00 C ATOM 400 C ARG A 25 6.807 4.252 2.347 1.00 0.00 C ATOM 401 O ARG A 25 6.876 5.444 2.601 1.00 0.00 O ATOM 402 CB ARG A 25 7.319 2.538 4.139 1.00 0.00 C ATOM 403 CG ARG A 25 7.204 1.005 4.054 1.00 0.00 C ATOM 404 CD ARG A 25 8.396 0.344 4.764 1.00 0.00 C ATOM 405 NE ARG A 25 9.386 0.017 3.684 1.00 0.00 N ATOM 406 CZ ARG A 25 10.269 -0.943 3.857 1.00 0.00 C ATOM 407 NH1 ARG A 25 11.078 -0.922 4.898 1.00 0.00 N ATOM 408 NH2 ARG A 25 10.355 -1.916 2.976 1.00 0.00 N ATOM 0 H ARG A 25 5.737 1.729 1.958 1.00 0.00 H new ATOM 0 HA ARG A 25 5.575 3.871 4.067 1.00 0.00 H new ATOM 0 HB2 ARG A 25 8.283 2.846 3.734 1.00 0.00 H new ATOM 0 HB3 ARG A 25 7.303 2.839 5.186 1.00 0.00 H new ATOM 0 HG2 ARG A 25 6.271 0.677 4.512 1.00 0.00 H new ATOM 0 HG3 ARG A 25 7.174 0.692 3.010 1.00 0.00 H new ATOM 0 HD2 ARG A 25 8.832 1.016 5.504 1.00 0.00 H new ATOM 0 HD3 ARG A 25 8.085 -0.556 5.295 1.00 0.00 H new ATOM 0 HE ARG A 25 9.374 0.543 2.810 1.00 0.00 H new ATOM 0 HH11 ARG A 25 11.021 -0.160 5.573 1.00 0.00 H new ATOM 0 HH12 ARG A 25 11.761 -1.668 5.028 1.00 0.00 H new ATOM 0 HH21 ARG A 25 9.739 -1.924 2.163 1.00 0.00 H new ATOM 0 HH22 ARG A 25 11.038 -2.662 3.106 1.00 0.00 H new ATOM 422 N LYS A 26 7.277 3.756 1.202 1.00 0.00 N ATOM 423 CA LYS A 26 7.916 4.667 0.183 1.00 0.00 C ATOM 424 C LYS A 26 6.866 5.487 -0.615 1.00 0.00 C ATOM 425 O LYS A 26 7.217 6.494 -1.202 1.00 0.00 O ATOM 426 CB LYS A 26 8.859 3.765 -0.681 1.00 0.00 C ATOM 427 CG LYS A 26 8.506 3.780 -2.175 1.00 0.00 C ATOM 428 CD LYS A 26 7.159 3.101 -2.357 1.00 0.00 C ATOM 429 CE LYS A 26 7.345 1.711 -2.998 1.00 0.00 C ATOM 430 NZ LYS A 26 6.238 1.564 -3.997 1.00 0.00 N ATOM 0 H LYS A 26 7.243 2.771 0.939 1.00 0.00 H new ATOM 0 HA LYS A 26 8.513 5.450 0.652 1.00 0.00 H new ATOM 0 HB2 LYS A 26 9.888 4.100 -0.554 1.00 0.00 H new ATOM 0 HB3 LYS A 26 8.809 2.740 -0.313 1.00 0.00 H new ATOM 0 HG2 LYS A 26 8.467 4.805 -2.545 1.00 0.00 H new ATOM 0 HG3 LYS A 26 9.273 3.262 -2.751 1.00 0.00 H new ATOM 0 HD2 LYS A 26 6.661 3.001 -1.393 1.00 0.00 H new ATOM 0 HD3 LYS A 26 6.516 3.716 -2.986 1.00 0.00 H new ATOM 0 HE2 LYS A 26 8.319 1.631 -3.481 1.00 0.00 H new ATOM 0 HE3 LYS A 26 7.297 0.925 -2.245 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 5.983 0.560 -4.087 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 5.409 2.105 -3.678 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 6.553 1.925 -4.920 1.00 0.00 H new ATOM 444 N LYS A 27 5.595 5.080 -0.630 1.00 0.00 N ATOM 445 CA LYS A 27 4.540 5.859 -1.374 1.00 0.00 C ATOM 446 C LYS A 27 4.437 7.289 -0.827 1.00 0.00 C ATOM 447 O LYS A 27 4.694 8.245 -1.541 1.00 0.00 O ATOM 448 CB LYS A 27 3.222 5.112 -1.125 1.00 0.00 C ATOM 449 CG LYS A 27 2.773 4.456 -2.417 1.00 0.00 C ATOM 450 CD LYS A 27 1.240 4.463 -2.507 1.00 0.00 C ATOM 451 CE LYS A 27 0.713 5.911 -2.582 1.00 0.00 C ATOM 452 NZ LYS A 27 0.690 6.267 -4.035 1.00 0.00 N ATOM 0 H LYS A 27 5.254 4.243 -0.157 1.00 0.00 H new ATOM 0 HA LYS A 27 4.777 5.934 -2.435 1.00 0.00 H new ATOM 0 HB2 LYS A 27 3.357 4.359 -0.348 1.00 0.00 H new ATOM 0 HB3 LYS A 27 2.459 5.804 -0.769 1.00 0.00 H new ATOM 0 HG2 LYS A 27 3.198 4.986 -3.270 1.00 0.00 H new ATOM 0 HG3 LYS A 27 3.143 3.432 -2.462 1.00 0.00 H new ATOM 0 HD2 LYS A 27 0.918 3.906 -3.387 1.00 0.00 H new ATOM 0 HD3 LYS A 27 0.816 3.959 -1.638 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -0.283 5.987 -2.146 1.00 0.00 H new ATOM 0 HE3 LYS A 27 1.358 6.590 -2.024 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 0.341 7.240 -4.149 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 1.652 6.197 -4.425 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 0.062 5.612 -4.543 1.00 0.00 H new