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= -0.712 X(o=-0.71,f=-1.2) USER MOD Single : A 16 ASN : amide:sc= -0.292 X(o=-0.29,f=-0.0065) USER MOD Single : A 17 SER OG : rot 53:sc= 0.304 USER MOD Single : A 18 MET CE :methyl 171:sc= -0.465 (180deg=-0.523) USER MOD Single : A 26 LYS NZ :NH3+ -150:sc= -0.206 (180deg=-0.868) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 178 N GLY A 12 -2.549 -2.257 -1.802 1.00 0.00 N ATOM 179 CA GLY A 12 -1.152 -2.365 -1.283 1.00 0.00 C ATOM 180 C GLY A 12 -0.880 -3.826 -0.879 1.00 0.00 C ATOM 181 O GLY A 12 -0.272 -4.074 0.147 1.00 0.00 O ATOM 0 HA2 GLY A 12 -0.441 -2.046 -2.046 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -1.017 -1.706 -0.426 1.00 0.00 H new ATOM 185 N LYS A 13 -1.353 -4.791 -1.668 1.00 0.00 N ATOM 186 CA LYS A 13 -1.160 -6.250 -1.328 1.00 0.00 C ATOM 187 C LYS A 13 -0.833 -7.096 -2.573 1.00 0.00 C ATOM 188 O LYS A 13 0.093 -7.871 -2.557 1.00 0.00 O ATOM 189 CB LYS A 13 -2.500 -6.705 -0.761 1.00 0.00 C ATOM 190 CG LYS A 13 -2.706 -6.127 0.640 1.00 0.00 C ATOM 191 CD LYS A 13 -3.946 -6.757 1.271 1.00 0.00 C ATOM 192 CE LYS A 13 -5.187 -6.493 0.390 1.00 0.00 C ATOM 193 NZ LYS A 13 -6.234 -5.937 1.303 1.00 0.00 N ATOM 0 H LYS A 13 -1.865 -4.622 -2.534 1.00 0.00 H new ATOM 0 HA LYS A 13 -0.328 -6.374 -0.635 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -3.309 -6.383 -1.417 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -2.535 -7.794 -0.722 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -1.830 -6.323 1.259 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -2.822 -5.045 0.585 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -3.797 -7.830 1.389 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -4.105 -6.345 2.268 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -4.955 -5.790 -0.410 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -5.531 -7.412 -0.084 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -7.099 -5.739 0.760 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -6.446 -6.628 2.050 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -5.887 -5.057 1.734 1.00 0.00 H new ATOM 207 N HIS A 14 -1.630 -6.975 -3.624 1.00 0.00 N ATOM 208 CA HIS A 14 -1.447 -7.795 -4.894 1.00 0.00 C ATOM 209 C HIS A 14 0.027 -7.963 -5.360 1.00 0.00 C ATOM 210 O HIS A 14 0.452 -9.065 -5.648 1.00 0.00 O ATOM 211 CB HIS A 14 -2.316 -7.116 -5.998 1.00 0.00 C ATOM 212 CG HIS A 14 -2.067 -5.617 -6.078 1.00 0.00 C ATOM 213 ND1 HIS A 14 -1.125 -5.064 -6.932 1.00 0.00 N ATOM 214 CD2 HIS A 14 -2.606 -4.559 -5.384 1.00 0.00 C ATOM 215 CE1 HIS A 14 -1.121 -3.736 -6.724 1.00 0.00 C ATOM 216 NE2 HIS A 14 -2.007 -3.375 -5.795 1.00 0.00 N ATOM 0 H HIS A 14 -2.418 -6.329 -3.659 1.00 0.00 H new ATOM 0 HA HIS A 14 -1.767 -8.817 -4.690 1.00 0.00 H new ATOM 0 HB2 HIS A 14 -2.097 -7.572 -6.963 1.00 0.00 H new ATOM 0 HB3 HIS A 14 -3.371 -7.298 -5.792 1.00 0.00 H new ATOM 0 HD2 HIS A 14 -3.378 -4.637 -4.633 1.00 0.00 H new ATOM 0 HE1 HIS A 14 -0.477 -3.044 -7.247 1.00 0.00 H new ATOM 0 HE2 HIS A 14 -2.203 -2.432 -5.459 1.00 0.00 H new ATOM 224 N LEU A 15 0.751 -6.867 -5.437 1.00 0.00 N ATOM 225 CA LEU A 15 2.207 -6.779 -5.884 1.00 0.00 C ATOM 226 C LEU A 15 2.946 -8.133 -6.030 1.00 0.00 C ATOM 227 O LEU A 15 3.167 -8.583 -7.142 1.00 0.00 O ATOM 228 CB LEU A 15 2.926 -5.902 -4.826 1.00 0.00 C ATOM 229 CG LEU A 15 2.133 -4.621 -4.523 1.00 0.00 C ATOM 230 CD1 LEU A 15 1.211 -4.862 -3.334 1.00 0.00 C ATOM 231 CD2 LEU A 15 3.095 -3.489 -4.183 1.00 0.00 C ATOM 0 H LEU A 15 0.367 -5.955 -5.190 1.00 0.00 H new ATOM 0 HA LEU A 15 2.223 -6.361 -6.890 1.00 0.00 H new ATOM 0 HB2 LEU A 15 3.060 -6.474 -3.908 1.00 0.00 H new ATOM 0 HB3 LEU A 15 3.921 -5.639 -5.185 1.00 0.00 H new ATOM 0 HG LEU A 15 1.544 -4.350 -5.399 1.00 0.00 H new ATOM 0 HD11 LEU A 15 0.649 -3.953 -3.119 1.00 0.00 H new ATOM 0 HD12 LEU A 15 0.518 -5.670 -3.569 1.00 0.00 H new ATOM 0 HD13 LEU A 15 1.805 -5.135 -2.462 1.00 0.00 H new ATOM 0 HD21 LEU A 15 2.529 -2.582 -3.969 1.00 0.00 H new ATOM 0 HD22 LEU A 15 3.685 -3.763 -3.309 1.00 0.00 H new ATOM 0 HD23 LEU A 15 3.760 -3.310 -5.028 1.00 0.00 H new ATOM 243 N ASN A 16 3.352 -8.765 -4.928 1.00 0.00 N ATOM 244 CA ASN A 16 4.114 -10.069 -5.018 1.00 0.00 C ATOM 245 C ASN A 16 4.201 -10.779 -3.643 1.00 0.00 C ATOM 246 O ASN A 16 3.596 -11.818 -3.447 1.00 0.00 O ATOM 247 CB ASN A 16 5.511 -9.660 -5.542 1.00 0.00 C ATOM 248 CG ASN A 16 6.446 -10.873 -5.576 1.00 0.00 C ATOM 249 OD1 ASN A 16 6.357 -11.703 -6.459 1.00 0.00 O ATOM 250 ND2 ASN A 16 7.345 -11.007 -4.643 1.00 0.00 N ATOM 0 H ASN A 16 3.186 -8.431 -3.979 1.00 0.00 H new ATOM 0 HA ASN A 16 3.623 -10.789 -5.673 1.00 0.00 H new ATOM 0 HB2 ASN A 16 5.421 -9.234 -6.541 1.00 0.00 H new ATOM 0 HB3 ASN A 16 5.934 -8.885 -4.902 1.00 0.00 H new ATOM 0 HD21 ASN A 16 7.975 -11.809 -4.653 1.00 0.00 H new ATOM 0 HD22 ASN A 16 7.419 -10.310 -3.902 1.00 0.00 H new ATOM 257 N SER A 17 4.962 -10.225 -2.716 1.00 0.00 N ATOM 258 CA SER A 17 5.141 -10.826 -1.339 1.00 0.00 C ATOM 259 C SER A 17 5.866 -9.797 -0.459 1.00 0.00 C ATOM 260 O SER A 17 5.348 -9.365 0.558 1.00 0.00 O ATOM 261 CB SER A 17 5.995 -12.094 -1.524 1.00 0.00 C ATOM 262 OG SER A 17 5.162 -13.242 -1.427 1.00 0.00 O ATOM 0 H SER A 17 5.481 -9.358 -2.859 1.00 0.00 H new ATOM 0 HA SER A 17 4.194 -11.080 -0.862 1.00 0.00 H new ATOM 0 HB2 SER A 17 6.492 -12.073 -2.494 1.00 0.00 H new ATOM 0 HB3 SER A 17 6.777 -12.133 -0.766 1.00 0.00 H new ATOM 0 HG SER A 17 4.411 -13.154 -2.050 1.00 0.00 H new ATOM 268 N MET A 18 7.038 -9.367 -0.893 1.00 0.00 N ATOM 269 CA MET A 18 7.810 -8.313 -0.158 1.00 0.00 C ATOM 270 C MET A 18 7.483 -6.920 -0.750 1.00 0.00 C ATOM 271 O MET A 18 7.725 -5.911 -0.106 1.00 0.00 O ATOM 272 CB MET A 18 9.294 -8.649 -0.381 1.00 0.00 C ATOM 273 CG MET A 18 9.686 -9.887 0.439 1.00 0.00 C ATOM 274 SD MET A 18 10.812 -10.926 -0.530 1.00 0.00 S ATOM 275 CE MET A 18 9.557 -11.785 -1.513 1.00 0.00 C ATOM 0 H MET A 18 7.494 -9.711 -1.738 1.00 0.00 H new ATOM 0 HA MET A 18 7.561 -8.290 0.903 1.00 0.00 H new ATOM 0 HB2 MET A 18 9.478 -8.832 -1.440 1.00 0.00 H new ATOM 0 HB3 MET A 18 9.914 -7.801 -0.091 1.00 0.00 H new ATOM 0 HG2 MET A 18 10.166 -9.583 1.369 1.00 0.00 H new ATOM 0 HG3 MET A 18 8.795 -10.453 0.710 1.00 0.00 H new ATOM 0 HE1 MET A 18 10.043 -12.366 -2.297 1.00 0.00 H new ATOM 0 HE2 MET A 18 8.985 -12.453 -0.869 1.00 0.00 H new ATOM 0 HE3 MET A 18 8.887 -11.054 -1.966 1.00 0.00 H new ATOM 285 N GLU A 19 6.931 -6.859 -1.971 1.00 0.00 N ATOM 286 CA GLU A 19 6.587 -5.537 -2.605 1.00 0.00 C ATOM 287 C GLU A 19 5.471 -4.830 -1.823 1.00 0.00 C ATOM 288 O GLU A 19 5.568 -3.653 -1.570 1.00 0.00 O ATOM 289 CB GLU A 19 6.141 -5.853 -4.044 1.00 0.00 C ATOM 290 CG GLU A 19 7.320 -6.415 -4.868 1.00 0.00 C ATOM 291 CD GLU A 19 8.545 -5.483 -4.788 1.00 0.00 C ATOM 292 OE1 GLU A 19 8.468 -4.375 -5.298 1.00 0.00 O ATOM 293 OE2 GLU A 19 9.538 -5.897 -4.212 1.00 0.00 O ATOM 0 H GLU A 19 6.710 -7.675 -2.542 1.00 0.00 H new ATOM 0 HA GLU A 19 7.442 -4.861 -2.600 1.00 0.00 H new ATOM 0 HB2 GLU A 19 5.325 -6.576 -4.027 1.00 0.00 H new ATOM 0 HB3 GLU A 19 5.757 -4.950 -4.518 1.00 0.00 H new ATOM 0 HG2 GLU A 19 7.587 -7.405 -4.498 1.00 0.00 H new ATOM 0 HG3 GLU A 19 7.017 -6.534 -5.908 1.00 0.00 H new ATOM 300 N ARG A 20 4.431 -5.543 -1.418 1.00 0.00 N ATOM 301 CA ARG A 20 3.316 -4.896 -0.609 1.00 0.00 C ATOM 302 C ARG A 20 3.852 -4.350 0.733 1.00 0.00 C ATOM 303 O ARG A 20 3.367 -3.341 1.219 1.00 0.00 O ATOM 304 CB ARG A 20 2.214 -5.957 -0.350 1.00 0.00 C ATOM 305 CG ARG A 20 2.793 -7.311 0.101 1.00 0.00 C ATOM 306 CD ARG A 20 2.731 -8.298 -1.073 1.00 0.00 C ATOM 307 NE ARG A 20 1.646 -9.279 -0.733 1.00 0.00 N ATOM 308 CZ ARG A 20 1.573 -10.431 -1.359 1.00 0.00 C ATOM 309 NH1 ARG A 20 1.172 -10.476 -2.612 1.00 0.00 N ATOM 310 NH2 ARG A 20 1.894 -11.539 -0.727 1.00 0.00 N ATOM 0 H ARG A 20 4.303 -6.537 -1.609 1.00 0.00 H new ATOM 0 HA ARG A 20 2.905 -4.056 -1.169 1.00 0.00 H new ATOM 0 HB2 ARG A 20 1.529 -5.586 0.413 1.00 0.00 H new ATOM 0 HB3 ARG A 20 1.631 -6.100 -1.260 1.00 0.00 H new ATOM 0 HG2 ARG A 20 3.823 -7.187 0.435 1.00 0.00 H new ATOM 0 HG3 ARG A 20 2.228 -7.698 0.949 1.00 0.00 H new ATOM 0 HD2 ARG A 20 2.510 -7.780 -2.007 1.00 0.00 H new ATOM 0 HD3 ARG A 20 3.687 -8.805 -1.208 1.00 0.00 H new ATOM 0 HE ARG A 20 0.962 -9.049 -0.012 1.00 0.00 H new ATOM 0 HH11 ARG A 20 0.918 -9.616 -3.097 1.00 0.00 H new ATOM 0 HH12 ARG A 20 1.116 -11.371 -3.098 1.00 0.00 H new ATOM 0 HH21 ARG A 20 2.198 -11.501 0.246 1.00 0.00 H new ATOM 0 HH22 ARG A 20 1.839 -12.436 -1.210 1.00 0.00 H new ATOM 324 N VAL A 21 4.858 -4.997 1.318 1.00 0.00 N ATOM 325 CA VAL A 21 5.445 -4.508 2.620 1.00 0.00 C ATOM 326 C VAL A 21 6.153 -3.158 2.383 1.00 0.00 C ATOM 327 O VAL A 21 5.837 -2.180 3.035 1.00 0.00 O ATOM 328 CB VAL A 21 6.450 -5.593 3.086 1.00 0.00 C ATOM 329 CG1 VAL A 21 7.143 -5.146 4.382 1.00 0.00 C ATOM 330 CG2 VAL A 21 5.714 -6.917 3.348 1.00 0.00 C ATOM 0 H VAL A 21 5.292 -5.841 0.945 1.00 0.00 H new ATOM 0 HA VAL A 21 4.681 -4.350 3.381 1.00 0.00 H new ATOM 0 HB VAL A 21 7.193 -5.735 2.301 1.00 0.00 H new ATOM 0 HG11 VAL A 21 7.847 -5.914 4.702 1.00 0.00 H new ATOM 0 HG12 VAL A 21 7.679 -4.214 4.205 1.00 0.00 H new ATOM 0 HG13 VAL A 21 6.395 -4.993 5.160 1.00 0.00 H new ATOM 0 HG21 VAL A 21 6.429 -7.672 3.675 1.00 0.00 H new ATOM 0 HG22 VAL A 21 4.963 -6.768 4.124 1.00 0.00 H new ATOM 0 HG23 VAL A 21 5.228 -7.250 2.431 1.00 0.00 H new ATOM 340 N GLU A 22 7.088 -3.107 1.440 1.00 0.00 N ATOM 341 CA GLU A 22 7.817 -1.815 1.133 1.00 0.00 C ATOM 342 C GLU A 22 6.867 -0.763 0.513 1.00 0.00 C ATOM 343 O GLU A 22 7.064 0.420 0.702 1.00 0.00 O ATOM 344 CB GLU A 22 8.973 -2.173 0.164 1.00 0.00 C ATOM 345 CG GLU A 22 8.434 -2.722 -1.172 1.00 0.00 C ATOM 346 CD GLU A 22 9.545 -3.440 -1.947 1.00 0.00 C ATOM 347 OE1 GLU A 22 9.920 -4.529 -1.541 1.00 0.00 O ATOM 348 OE2 GLU A 22 9.988 -2.898 -2.945 1.00 0.00 O ATOM 0 H GLU A 22 7.375 -3.904 0.872 1.00 0.00 H new ATOM 0 HA GLU A 22 8.205 -1.366 2.047 1.00 0.00 H new ATOM 0 HB2 GLU A 22 9.581 -1.288 -0.023 1.00 0.00 H new ATOM 0 HB3 GLU A 22 9.623 -2.914 0.628 1.00 0.00 H new ATOM 0 HG2 GLU A 22 7.611 -3.411 -0.983 1.00 0.00 H new ATOM 0 HG3 GLU A 22 8.034 -1.905 -1.772 1.00 0.00 H new ATOM 355 N TRP A 23 5.850 -1.186 -0.222 1.00 0.00 N ATOM 356 CA TRP A 23 4.891 -0.244 -0.857 1.00 0.00 C ATOM 357 C TRP A 23 3.962 0.417 0.176 1.00 0.00 C ATOM 358 O TRP A 23 3.586 1.558 -0.004 1.00 0.00 O ATOM 359 CB TRP A 23 4.132 -1.150 -1.826 1.00 0.00 C ATOM 360 CG TRP A 23 3.263 -0.367 -2.714 1.00 0.00 C ATOM 361 CD1 TRP A 23 3.563 -0.027 -3.964 1.00 0.00 C ATOM 362 CD2 TRP A 23 1.958 0.146 -2.433 1.00 0.00 C ATOM 363 NE1 TRP A 23 2.496 0.684 -4.496 1.00 0.00 N ATOM 364 CE2 TRP A 23 1.471 0.811 -3.571 1.00 0.00 C ATOM 365 CE3 TRP A 23 1.173 0.086 -1.294 1.00 0.00 C ATOM 366 CZ2 TRP A 23 0.209 1.408 -3.574 1.00 0.00 C ATOM 367 CZ3 TRP A 23 -0.093 0.681 -1.277 1.00 0.00 C ATOM 368 CH2 TRP A 23 -0.580 1.341 -2.418 1.00 0.00 C ATOM 0 H TRP A 23 5.653 -2.170 -0.404 1.00 0.00 H new ATOM 0 HA TRP A 23 5.374 0.600 -1.349 1.00 0.00 H new ATOM 0 HB2 TRP A 23 4.841 -1.725 -2.421 1.00 0.00 H new ATOM 0 HB3 TRP A 23 3.532 -1.866 -1.264 1.00 0.00 H new ATOM 0 HD1 TRP A 23 4.482 -0.264 -4.479 1.00 0.00 H new ATOM 0 HE1 TRP A 23 2.470 1.063 -5.443 1.00 0.00 H new ATOM 0 HE3 TRP A 23 1.540 -0.423 -0.415 1.00 0.00 H new ATOM 0 HZ2 TRP A 23 -0.154 1.915 -4.456 1.00 0.00 H new ATOM 0 HZ3 TRP A 23 -0.698 0.633 -0.384 1.00 0.00 H new ATOM 0 HH2 TRP A 23 -1.560 1.795 -2.404 1.00 0.00 H new ATOM 379 N LEU A 24 3.606 -0.261 1.257 1.00 0.00 N ATOM 380 CA LEU A 24 2.714 0.383 2.293 1.00 0.00 C ATOM 381 C LEU A 24 3.525 1.300 3.260 1.00 0.00 C ATOM 382 O LEU A 24 3.002 1.738 4.273 1.00 0.00 O ATOM 383 CB LEU A 24 2.057 -0.782 3.057 1.00 0.00 C ATOM 384 CG LEU A 24 0.868 -1.345 2.256 1.00 0.00 C ATOM 385 CD1 LEU A 24 0.448 -2.694 2.848 1.00 0.00 C ATOM 386 CD2 LEU A 24 -0.320 -0.372 2.320 1.00 0.00 C ATOM 0 H LEU A 24 3.890 -1.219 1.464 1.00 0.00 H new ATOM 0 HA LEU A 24 1.971 1.029 1.825 1.00 0.00 H new ATOM 0 HB2 LEU A 24 2.790 -1.569 3.234 1.00 0.00 H new ATOM 0 HB3 LEU A 24 1.716 -0.439 4.034 1.00 0.00 H new ATOM 0 HG LEU A 24 1.170 -1.474 1.217 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -0.393 -3.094 2.282 1.00 0.00 H new ATOM 0 HD12 LEU A 24 1.285 -3.391 2.795 1.00 0.00 H new ATOM 0 HD13 LEU A 24 0.154 -2.559 3.889 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -1.155 -0.780 1.750 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -0.622 -0.234 3.358 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -0.027 0.589 1.897 1.00 0.00 H new ATOM 398 N ARG A 25 4.784 1.605 2.945 1.00 0.00 N ATOM 399 CA ARG A 25 5.628 2.499 3.816 1.00 0.00 C ATOM 400 C ARG A 25 6.459 3.473 2.958 1.00 0.00 C ATOM 401 O ARG A 25 6.448 4.666 3.206 1.00 0.00 O ATOM 402 CB ARG A 25 6.566 1.601 4.658 1.00 0.00 C ATOM 403 CG ARG A 25 7.096 0.383 3.881 1.00 0.00 C ATOM 404 CD ARG A 25 8.618 0.484 3.732 1.00 0.00 C ATOM 405 NE ARG A 25 9.153 -0.555 4.653 1.00 0.00 N ATOM 406 CZ ARG A 25 10.152 -1.318 4.277 1.00 0.00 C ATOM 407 NH1 ARG A 25 9.913 -2.444 3.639 1.00 0.00 N ATOM 408 NH2 ARG A 25 11.388 -0.954 4.540 1.00 0.00 N ATOM 0 H ARG A 25 5.259 1.263 2.109 1.00 0.00 H new ATOM 0 HA ARG A 25 4.985 3.094 4.465 1.00 0.00 H new ATOM 0 HB2 ARG A 25 7.410 2.196 5.009 1.00 0.00 H new ATOM 0 HB3 ARG A 25 6.030 1.255 5.542 1.00 0.00 H new ATOM 0 HG2 ARG A 25 6.833 -0.536 4.404 1.00 0.00 H new ATOM 0 HG3 ARG A 25 6.628 0.335 2.898 1.00 0.00 H new ATOM 0 HD2 ARG A 25 8.929 0.301 2.704 1.00 0.00 H new ATOM 0 HD3 ARG A 25 8.978 1.477 4.002 1.00 0.00 H new ATOM 0 HE ARG A 25 8.742 -0.674 5.579 1.00 0.00 H new ATOM 0 HH11 ARG A 25 8.953 -2.722 3.438 1.00 0.00 H new ATOM 0 HH12 ARG A 25 10.688 -3.039 3.346 1.00 0.00 H new ATOM 0 HH21 ARG A 25 11.568 -0.081 5.035 1.00 0.00 H new ATOM 0 HH22 ARG A 25 12.167 -1.545 4.249 1.00 0.00 H new ATOM 422 N LYS A 26 7.173 2.975 1.951 1.00 0.00 N ATOM 423 CA LYS A 26 8.007 3.881 1.079 1.00 0.00 C ATOM 424 C LYS A 26 7.124 4.765 0.155 1.00 0.00 C ATOM 425 O LYS A 26 7.597 5.764 -0.347 1.00 0.00 O ATOM 426 CB LYS A 26 9.036 2.960 0.342 1.00 0.00 C ATOM 427 CG LYS A 26 8.948 3.059 -1.188 1.00 0.00 C ATOM 428 CD LYS A 26 7.610 2.491 -1.632 1.00 0.00 C ATOM 429 CE LYS A 26 7.807 1.125 -2.318 1.00 0.00 C ATOM 430 NZ LYS A 26 6.805 1.074 -3.430 1.00 0.00 N ATOM 0 H LYS A 26 7.210 1.986 1.702 1.00 0.00 H new ATOM 0 HA LYS A 26 8.559 4.620 1.660 1.00 0.00 H new ATOM 0 HB2 LYS A 26 10.044 3.226 0.660 1.00 0.00 H new ATOM 0 HB3 LYS A 26 8.869 1.926 0.643 1.00 0.00 H new ATOM 0 HG2 LYS A 26 9.043 4.097 -1.506 1.00 0.00 H new ATOM 0 HG3 LYS A 26 9.766 2.507 -1.651 1.00 0.00 H new ATOM 0 HD2 LYS A 26 6.951 2.381 -0.771 1.00 0.00 H new ATOM 0 HD3 LYS A 26 7.124 3.183 -2.319 1.00 0.00 H new ATOM 0 HE2 LYS A 26 8.822 1.024 -2.702 1.00 0.00 H new ATOM 0 HE3 LYS A 26 7.650 0.308 -1.613 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 6.520 0.088 -3.596 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 5.970 1.637 -3.171 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 7.228 1.462 -4.297 1.00 0.00 H new ATOM 444 N LYS A 27 5.853 4.423 -0.054 1.00 0.00 N ATOM 445 CA LYS A 27 4.959 5.272 -0.916 1.00 0.00 C ATOM 446 C LYS A 27 4.706 6.621 -0.234 1.00 0.00 C ATOM 447 O LYS A 27 5.111 7.655 -0.736 1.00 0.00 O ATOM 448 CB LYS A 27 3.643 4.496 -1.035 1.00 0.00 C ATOM 449 CG LYS A 27 3.522 3.934 -2.436 1.00 0.00 C ATOM 450 CD LYS A 27 2.049 3.883 -2.856 1.00 0.00 C ATOM 451 CE LYS A 27 1.462 5.304 -2.939 1.00 0.00 C ATOM 452 NZ LYS A 27 0.004 5.117 -3.213 1.00 0.00 N ATOM 0 H LYS A 27 5.408 3.594 0.338 1.00 0.00 H new ATOM 0 HA LYS A 27 5.404 5.470 -1.891 1.00 0.00 H new ATOM 0 HB2 LYS A 27 3.615 3.689 -0.303 1.00 0.00 H new ATOM 0 HB3 LYS A 27 2.799 5.152 -0.819 1.00 0.00 H new ATOM 0 HG2 LYS A 27 4.086 4.552 -3.134 1.00 0.00 H new ATOM 0 HG3 LYS A 27 3.954 2.934 -2.474 1.00 0.00 H new ATOM 0 HD2 LYS A 27 1.957 3.388 -3.823 1.00 0.00 H new ATOM 0 HD3 LYS A 27 1.481 3.290 -2.139 1.00 0.00 H new ATOM 0 HE2 LYS A 27 1.620 5.849 -2.008 1.00 0.00 H new ATOM 0 HE3 LYS A 27 1.940 5.881 -3.731 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -0.458 6.046 -3.282 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -0.118 4.603 -4.109 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -0.428 4.572 -2.439 1.00 0.00 H new