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 Set 1.1: A 16 ASN : amide:sc= -0.061 X(o=-0.061,f=0) USER MOD Set 1.2: A 18 MET CE :methyl -160:sc= 0 (180deg=0) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 HIS : no HD1:sc= -0.852 X(o=-0.85,f=-1.2) USER MOD Single : A 17 SER OG : rot 57:sc= 0.21 USER MOD Single : A 26 LYS NZ :NH3+ -155:sc= -0.18 (180deg=-0.482) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 178 N GLY A 12 -2.669 -1.599 -1.164 1.00 0.00 N ATOM 179 CA GLY A 12 -1.359 -1.748 -0.452 1.00 0.00 C ATOM 180 C GLY A 12 -1.190 -3.182 0.081 1.00 0.00 C ATOM 181 O GLY A 12 -0.681 -3.371 1.173 1.00 0.00 O ATOM 0 HA2 GLY A 12 -0.541 -1.508 -1.131 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -1.306 -1.039 0.374 1.00 0.00 H new ATOM 185 N LYS A 13 -1.601 -4.190 -0.683 1.00 0.00 N ATOM 186 CA LYS A 13 -1.452 -5.627 -0.225 1.00 0.00 C ATOM 187 C LYS A 13 -1.469 -6.637 -1.411 1.00 0.00 C ATOM 188 O LYS A 13 -0.781 -7.641 -1.364 1.00 0.00 O ATOM 189 CB LYS A 13 -2.601 -5.862 0.798 1.00 0.00 C ATOM 190 CG LYS A 13 -3.826 -6.566 0.180 1.00 0.00 C ATOM 191 CD LYS A 13 -4.661 -5.565 -0.629 1.00 0.00 C ATOM 192 CE LYS A 13 -5.999 -5.319 0.077 1.00 0.00 C ATOM 193 NZ LYS A 13 -7.052 -5.430 -0.979 1.00 0.00 N ATOM 0 H LYS A 13 -2.032 -4.077 -1.601 1.00 0.00 H new ATOM 0 HA LYS A 13 -0.481 -5.798 0.240 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -2.225 -6.462 1.627 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -2.911 -4.903 1.213 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -3.499 -7.382 -0.464 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -4.437 -7.007 0.968 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -4.117 -4.626 -0.736 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -4.834 -5.950 -1.634 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -6.162 -6.050 0.868 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -6.018 -4.334 0.544 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -7.988 -5.271 -0.554 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -6.881 -4.717 -1.716 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -7.021 -6.380 -1.402 1.00 0.00 H new ATOM 207 N HIS A 14 -2.260 -6.383 -2.447 1.00 0.00 N ATOM 208 CA HIS A 14 -2.360 -7.318 -3.644 1.00 0.00 C ATOM 209 C HIS A 14 -0.981 -7.746 -4.197 1.00 0.00 C ATOM 210 O HIS A 14 -0.781 -8.902 -4.519 1.00 0.00 O ATOM 211 CB HIS A 14 -3.191 -6.572 -4.735 1.00 0.00 C ATOM 212 CG HIS A 14 -2.668 -5.164 -4.974 1.00 0.00 C ATOM 213 ND1 HIS A 14 -1.678 -4.881 -5.904 1.00 0.00 N ATOM 214 CD2 HIS A 14 -2.953 -3.967 -4.363 1.00 0.00 C ATOM 215 CE1 HIS A 14 -1.404 -3.567 -5.815 1.00 0.00 C ATOM 216 NE2 HIS A 14 -2.156 -2.964 -4.896 1.00 0.00 N ATOM 0 H HIS A 14 -2.851 -5.554 -2.516 1.00 0.00 H new ATOM 0 HA HIS A 14 -2.844 -8.245 -3.337 1.00 0.00 H new ATOM 0 HB2 HIS A 14 -3.158 -7.136 -5.667 1.00 0.00 H new ATOM 0 HB3 HIS A 14 -4.236 -6.525 -4.428 1.00 0.00 H new ATOM 0 HD2 HIS A 14 -3.688 -3.827 -3.584 1.00 0.00 H new ATOM 0 HE1 HIS A 14 -0.663 -3.062 -6.417 1.00 0.00 H new ATOM 0 HE2 HIS A 14 -2.148 -1.977 -4.639 1.00 0.00 H new ATOM 224 N LEU A 15 -0.080 -6.794 -4.303 1.00 0.00 N ATOM 225 CA LEU A 15 1.340 -6.973 -4.828 1.00 0.00 C ATOM 226 C LEU A 15 1.857 -8.433 -4.747 1.00 0.00 C ATOM 227 O LEU A 15 1.985 -9.088 -5.769 1.00 0.00 O ATOM 228 CB LEU A 15 2.251 -6.053 -3.963 1.00 0.00 C ATOM 229 CG LEU A 15 1.626 -4.663 -3.724 1.00 0.00 C ATOM 230 CD1 LEU A 15 0.818 -4.675 -2.422 1.00 0.00 C ATOM 231 CD2 LEU A 15 2.731 -3.613 -3.612 1.00 0.00 C ATOM 0 H LEU A 15 -0.278 -5.831 -4.030 1.00 0.00 H new ATOM 0 HA LEU A 15 1.355 -6.714 -5.887 1.00 0.00 H new ATOM 0 HB2 LEU A 15 2.440 -6.533 -3.003 1.00 0.00 H new ATOM 0 HB3 LEU A 15 3.216 -5.935 -4.456 1.00 0.00 H new ATOM 0 HG LEU A 15 0.971 -4.421 -4.561 1.00 0.00 H new ATOM 0 HD11 LEU A 15 0.379 -3.691 -2.257 1.00 0.00 H new ATOM 0 HD12 LEU A 15 0.025 -5.419 -2.493 1.00 0.00 H new ATOM 0 HD13 LEU A 15 1.475 -4.923 -1.588 1.00 0.00 H new ATOM 0 HD21 LEU A 15 2.286 -2.633 -3.443 1.00 0.00 H new ATOM 0 HD22 LEU A 15 3.387 -3.862 -2.778 1.00 0.00 H new ATOM 0 HD23 LEU A 15 3.310 -3.594 -4.535 1.00 0.00 H new ATOM 243 N ASN A 16 2.161 -8.937 -3.549 1.00 0.00 N ATOM 244 CA ASN A 16 2.683 -10.344 -3.400 1.00 0.00 C ATOM 245 C ASN A 16 2.685 -10.773 -1.912 1.00 0.00 C ATOM 246 O ASN A 16 1.891 -11.604 -1.507 1.00 0.00 O ATOM 247 CB ASN A 16 4.109 -10.303 -3.996 1.00 0.00 C ATOM 248 CG ASN A 16 4.827 -11.634 -3.761 1.00 0.00 C ATOM 249 OD1 ASN A 16 4.556 -12.614 -4.427 1.00 0.00 O ATOM 250 ND2 ASN A 16 5.737 -11.706 -2.835 1.00 0.00 N ATOM 0 H ASN A 16 2.066 -8.425 -2.672 1.00 0.00 H new ATOM 0 HA ASN A 16 2.062 -11.078 -3.913 1.00 0.00 H new ATOM 0 HB2 ASN A 16 4.057 -10.095 -5.065 1.00 0.00 H new ATOM 0 HB3 ASN A 16 4.677 -9.492 -3.541 1.00 0.00 H new ATOM 0 HD21 ASN A 16 6.225 -12.586 -2.667 1.00 0.00 H new ATOM 0 HD22 ASN A 16 5.963 -10.883 -2.277 1.00 0.00 H new ATOM 257 N SER A 17 3.578 -10.208 -1.118 1.00 0.00 N ATOM 258 CA SER A 17 3.693 -10.540 0.351 1.00 0.00 C ATOM 259 C SER A 17 4.697 -9.565 0.982 1.00 0.00 C ATOM 260 O SER A 17 4.369 -8.829 1.898 1.00 0.00 O ATOM 261 CB SER A 17 4.210 -11.990 0.434 1.00 0.00 C ATOM 262 OG SER A 17 3.151 -12.843 0.852 1.00 0.00 O ATOM 0 H SER A 17 4.251 -9.511 -1.437 1.00 0.00 H new ATOM 0 HA SER A 17 2.744 -10.451 0.879 1.00 0.00 H new ATOM 0 HB2 SER A 17 4.588 -12.310 -0.537 1.00 0.00 H new ATOM 0 HB3 SER A 17 5.041 -12.052 1.136 1.00 0.00 H new ATOM 0 HG SER A 17 2.394 -12.751 0.236 1.00 0.00 H new ATOM 268 N MET A 18 5.904 -9.529 0.441 1.00 0.00 N ATOM 269 CA MET A 18 6.954 -8.573 0.921 1.00 0.00 C ATOM 270 C MET A 18 6.870 -7.243 0.124 1.00 0.00 C ATOM 271 O MET A 18 7.390 -6.233 0.565 1.00 0.00 O ATOM 272 CB MET A 18 8.305 -9.292 0.693 1.00 0.00 C ATOM 273 CG MET A 18 8.702 -9.291 -0.796 1.00 0.00 C ATOM 274 SD MET A 18 9.937 -10.582 -1.094 1.00 0.00 S ATOM 275 CE MET A 18 8.784 -11.940 -1.416 1.00 0.00 C ATOM 0 H MET A 18 6.203 -10.134 -0.324 1.00 0.00 H new ATOM 0 HA MET A 18 6.827 -8.310 1.971 1.00 0.00 H new ATOM 0 HB2 MET A 18 9.083 -8.801 1.278 1.00 0.00 H new ATOM 0 HB3 MET A 18 8.237 -10.319 1.052 1.00 0.00 H new ATOM 0 HG2 MET A 18 7.823 -9.463 -1.418 1.00 0.00 H new ATOM 0 HG3 MET A 18 9.104 -8.317 -1.075 1.00 0.00 H new ATOM 0 HE1 MET A 18 9.295 -12.892 -1.276 1.00 0.00 H new ATOM 0 HE2 MET A 18 7.943 -11.875 -0.725 1.00 0.00 H new ATOM 0 HE3 MET A 18 8.418 -11.872 -2.441 1.00 0.00 H new ATOM 285 N GLU A 19 6.216 -7.242 -1.046 1.00 0.00 N ATOM 286 CA GLU A 19 6.092 -5.987 -1.874 1.00 0.00 C ATOM 287 C GLU A 19 5.315 -4.912 -1.104 1.00 0.00 C ATOM 288 O GLU A 19 5.784 -3.803 -0.977 1.00 0.00 O ATOM 289 CB GLU A 19 5.337 -6.393 -3.146 1.00 0.00 C ATOM 290 CG GLU A 19 6.233 -7.255 -4.047 1.00 0.00 C ATOM 291 CD GLU A 19 5.771 -7.125 -5.504 1.00 0.00 C ATOM 292 OE1 GLU A 19 4.831 -7.810 -5.875 1.00 0.00 O ATOM 293 OE2 GLU A 19 6.364 -6.337 -6.224 1.00 0.00 O ATOM 0 H GLU A 19 5.767 -8.063 -1.451 1.00 0.00 H new ATOM 0 HA GLU A 19 7.069 -5.565 -2.110 1.00 0.00 H new ATOM 0 HB2 GLU A 19 4.436 -6.947 -2.881 1.00 0.00 H new ATOM 0 HB3 GLU A 19 5.016 -5.502 -3.686 1.00 0.00 H new ATOM 0 HG2 GLU A 19 7.272 -6.938 -3.954 1.00 0.00 H new ATOM 0 HG3 GLU A 19 6.188 -8.297 -3.732 1.00 0.00 H new ATOM 300 N ARG A 20 4.147 -5.245 -0.570 1.00 0.00 N ATOM 301 CA ARG A 20 3.343 -4.237 0.232 1.00 0.00 C ATOM 302 C ARG A 20 4.152 -3.710 1.439 1.00 0.00 C ATOM 303 O ARG A 20 3.973 -2.573 1.836 1.00 0.00 O ATOM 304 CB ARG A 20 2.050 -4.934 0.724 1.00 0.00 C ATOM 305 CG ARG A 20 2.336 -6.300 1.374 1.00 0.00 C ATOM 306 CD ARG A 20 1.853 -7.415 0.438 1.00 0.00 C ATOM 307 NE ARG A 20 0.665 -8.018 1.117 1.00 0.00 N ATOM 308 CZ ARG A 20 0.574 -9.317 1.257 1.00 0.00 C ATOM 309 NH1 ARG A 20 0.085 -10.048 0.279 1.00 0.00 N ATOM 310 NH2 ARG A 20 0.973 -9.884 2.375 1.00 0.00 N ATOM 0 H ARG A 20 3.717 -6.166 -0.654 1.00 0.00 H new ATOM 0 HA ARG A 20 3.102 -3.382 -0.399 1.00 0.00 H new ATOM 0 HB2 ARG A 20 1.544 -4.290 1.443 1.00 0.00 H new ATOM 0 HB3 ARG A 20 1.370 -5.069 -0.117 1.00 0.00 H new ATOM 0 HG2 ARG A 20 3.403 -6.408 1.567 1.00 0.00 H new ATOM 0 HG3 ARG A 20 1.829 -6.372 2.336 1.00 0.00 H new ATOM 0 HD2 ARG A 20 1.586 -7.018 -0.541 1.00 0.00 H new ATOM 0 HD3 ARG A 20 2.633 -8.159 0.278 1.00 0.00 H new ATOM 0 HE ARG A 20 -0.077 -7.415 1.472 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -0.222 -9.603 -0.586 1.00 0.00 H new ATOM 0 HH12 ARG A 20 0.013 -11.060 0.385 1.00 0.00 H new ATOM 0 HH21 ARG A 20 1.352 -9.312 3.130 1.00 0.00 H new ATOM 0 HH22 ARG A 20 0.903 -10.895 2.487 1.00 0.00 H new ATOM 324 N VAL A 21 5.045 -4.524 2.008 1.00 0.00 N ATOM 325 CA VAL A 21 5.880 -4.068 3.182 1.00 0.00 C ATOM 326 C VAL A 21 6.736 -2.852 2.772 1.00 0.00 C ATOM 327 O VAL A 21 6.706 -1.840 3.442 1.00 0.00 O ATOM 328 CB VAL A 21 6.774 -5.268 3.587 1.00 0.00 C ATOM 329 CG1 VAL A 21 7.732 -4.856 4.716 1.00 0.00 C ATOM 330 CG2 VAL A 21 5.900 -6.433 4.079 1.00 0.00 C ATOM 0 H VAL A 21 5.225 -5.481 1.704 1.00 0.00 H new ATOM 0 HA VAL A 21 5.258 -3.759 4.022 1.00 0.00 H new ATOM 0 HB VAL A 21 7.348 -5.581 2.715 1.00 0.00 H new ATOM 0 HG11 VAL A 21 8.355 -5.706 4.993 1.00 0.00 H new ATOM 0 HG12 VAL A 21 8.366 -4.037 4.375 1.00 0.00 H new ATOM 0 HG13 VAL A 21 7.155 -4.532 5.582 1.00 0.00 H new ATOM 0 HG21 VAL A 21 6.537 -7.272 4.361 1.00 0.00 H new ATOM 0 HG22 VAL A 21 5.318 -6.112 4.943 1.00 0.00 H new ATOM 0 HG23 VAL A 21 5.224 -6.743 3.282 1.00 0.00 H new ATOM 340 N GLU A 22 7.468 -2.936 1.668 1.00 0.00 N ATOM 341 CA GLU A 22 8.298 -1.758 1.215 1.00 0.00 C ATOM 342 C GLU A 22 7.422 -0.708 0.489 1.00 0.00 C ATOM 343 O GLU A 22 7.750 0.461 0.483 1.00 0.00 O ATOM 344 CB GLU A 22 9.408 -2.328 0.297 1.00 0.00 C ATOM 345 CG GLU A 22 8.855 -2.724 -1.086 1.00 0.00 C ATOM 346 CD GLU A 22 9.632 -3.924 -1.640 1.00 0.00 C ATOM 347 OE1 GLU A 22 9.287 -5.042 -1.294 1.00 0.00 O ATOM 348 OE2 GLU A 22 10.556 -3.704 -2.406 1.00 0.00 O ATOM 0 H GLU A 22 7.524 -3.760 1.070 1.00 0.00 H new ATOM 0 HA GLU A 22 8.742 -1.235 2.062 1.00 0.00 H new ATOM 0 HB2 GLU A 22 10.196 -1.585 0.175 1.00 0.00 H new ATOM 0 HB3 GLU A 22 9.861 -3.199 0.771 1.00 0.00 H new ATOM 0 HG2 GLU A 22 7.797 -2.972 -1.006 1.00 0.00 H new ATOM 0 HG3 GLU A 22 8.934 -1.881 -1.773 1.00 0.00 H new ATOM 355 N TRP A 23 6.317 -1.123 -0.116 1.00 0.00 N ATOM 356 CA TRP A 23 5.411 -0.191 -0.837 1.00 0.00 C ATOM 357 C TRP A 23 4.705 0.778 0.126 1.00 0.00 C ATOM 358 O TRP A 23 4.511 1.926 -0.219 1.00 0.00 O ATOM 359 CB TRP A 23 4.438 -1.149 -1.531 1.00 0.00 C ATOM 360 CG TRP A 23 3.569 -0.426 -2.471 1.00 0.00 C ATOM 361 CD1 TRP A 23 3.775 -0.323 -3.783 1.00 0.00 C ATOM 362 CD2 TRP A 23 2.359 0.271 -2.173 1.00 0.00 C ATOM 363 NE1 TRP A 23 2.736 0.415 -4.334 1.00 0.00 N ATOM 364 CE2 TRP A 23 1.829 0.804 -3.360 1.00 0.00 C ATOM 365 CE3 TRP A 23 1.693 0.477 -0.976 1.00 0.00 C ATOM 366 CZ2 TRP A 23 0.640 1.535 -3.353 1.00 0.00 C ATOM 367 CZ3 TRP A 23 0.499 1.208 -0.949 1.00 0.00 C ATOM 368 CH2 TRP A 23 -0.031 1.737 -2.139 1.00 0.00 C ATOM 0 H TRP A 23 6.012 -2.096 -0.131 1.00 0.00 H new ATOM 0 HA TRP A 23 5.925 0.469 -1.535 1.00 0.00 H new ATOM 0 HB2 TRP A 23 4.997 -1.918 -2.064 1.00 0.00 H new ATOM 0 HB3 TRP A 23 3.828 -1.658 -0.784 1.00 0.00 H new ATOM 0 HD1 TRP A 23 4.609 -0.742 -4.326 1.00 0.00 H new ATOM 0 HE1 TRP A 23 2.651 0.641 -5.325 1.00 0.00 H new ATOM 0 HE3 TRP A 23 2.096 0.072 -0.060 1.00 0.00 H new ATOM 0 HZ2 TRP A 23 0.242 1.940 -4.272 1.00 0.00 H new ATOM 0 HZ3 TRP A 23 -0.016 1.366 -0.013 1.00 0.00 H new ATOM 0 HH2 TRP A 23 -0.954 2.298 -2.118 1.00 0.00 H new ATOM 379 N LEU A 24 4.337 0.347 1.324 1.00 0.00 N ATOM 380 CA LEU A 24 3.660 1.289 2.293 1.00 0.00 C ATOM 381 C LEU A 24 4.642 2.366 2.834 1.00 0.00 C ATOM 382 O LEU A 24 4.203 3.340 3.423 1.00 0.00 O ATOM 383 CB LEU A 24 3.094 0.411 3.440 1.00 0.00 C ATOM 384 CG LEU A 24 4.221 -0.162 4.331 1.00 0.00 C ATOM 385 CD1 LEU A 24 4.467 0.759 5.535 1.00 0.00 C ATOM 386 CD2 LEU A 24 3.814 -1.552 4.840 1.00 0.00 C ATOM 0 H LEU A 24 4.474 -0.603 1.668 1.00 0.00 H new ATOM 0 HA LEU A 24 2.863 1.842 1.796 1.00 0.00 H new ATOM 0 HB2 LEU A 24 2.413 1.004 4.051 1.00 0.00 H new ATOM 0 HB3 LEU A 24 2.512 -0.408 3.018 1.00 0.00 H new ATOM 0 HG LEU A 24 5.134 -0.233 3.740 1.00 0.00 H new ATOM 0 HD11 LEU A 24 5.263 0.344 6.154 1.00 0.00 H new ATOM 0 HD12 LEU A 24 4.760 1.748 5.183 1.00 0.00 H new ATOM 0 HD13 LEU A 24 3.553 0.839 6.124 1.00 0.00 H new ATOM 0 HD21 LEU A 24 4.608 -1.956 5.468 1.00 0.00 H new ATOM 0 HD22 LEU A 24 2.896 -1.472 5.422 1.00 0.00 H new ATOM 0 HD23 LEU A 24 3.649 -2.216 3.992 1.00 0.00 H new ATOM 398 N ARG A 25 5.952 2.202 2.641 1.00 0.00 N ATOM 399 CA ARG A 25 6.942 3.222 3.150 1.00 0.00 C ATOM 400 C ARG A 25 7.683 3.932 2.003 1.00 0.00 C ATOM 401 O ARG A 25 7.782 5.148 2.003 1.00 0.00 O ATOM 402 CB ARG A 25 7.962 2.490 4.062 1.00 0.00 C ATOM 403 CG ARG A 25 8.399 1.116 3.520 1.00 0.00 C ATOM 404 CD ARG A 25 9.445 0.505 4.466 1.00 0.00 C ATOM 405 NE ARG A 25 8.909 -0.840 4.838 1.00 0.00 N ATOM 406 CZ ARG A 25 9.714 -1.873 4.959 1.00 0.00 C ATOM 407 NH1 ARG A 25 10.424 -2.287 3.928 1.00 0.00 N ATOM 408 NH2 ARG A 25 9.805 -2.494 6.114 1.00 0.00 N ATOM 0 H ARG A 25 6.368 1.408 2.155 1.00 0.00 H new ATOM 0 HA ARG A 25 6.401 3.990 3.704 1.00 0.00 H new ATOM 0 HB2 ARG A 25 8.843 3.119 4.186 1.00 0.00 H new ATOM 0 HB3 ARG A 25 7.523 2.358 5.051 1.00 0.00 H new ATOM 0 HG2 ARG A 25 7.537 0.454 3.437 1.00 0.00 H new ATOM 0 HG3 ARG A 25 8.816 1.223 2.519 1.00 0.00 H new ATOM 0 HD2 ARG A 25 10.415 0.419 3.976 1.00 0.00 H new ATOM 0 HD3 ARG A 25 9.588 1.128 5.349 1.00 0.00 H new ATOM 0 HE ARG A 25 7.909 -0.958 5.000 1.00 0.00 H new ATOM 0 HH11 ARG A 25 10.350 -1.806 3.032 1.00 0.00 H new ATOM 0 HH12 ARG A 25 11.047 -3.089 4.027 1.00 0.00 H new ATOM 0 HH21 ARG A 25 9.253 -2.174 6.910 1.00 0.00 H new ATOM 0 HH22 ARG A 25 10.427 -3.296 6.214 1.00 0.00 H new ATOM 422 N LYS A 26 8.217 3.193 1.041 1.00 0.00 N ATOM 423 CA LYS A 26 8.982 3.840 -0.087 1.00 0.00 C ATOM 424 C LYS A 26 8.066 4.653 -1.039 1.00 0.00 C ATOM 425 O LYS A 26 8.564 5.481 -1.773 1.00 0.00 O ATOM 426 CB LYS A 26 9.816 2.704 -0.766 1.00 0.00 C ATOM 427 CG LYS A 26 9.528 2.561 -2.265 1.00 0.00 C ATOM 428 CD LYS A 26 8.107 2.050 -2.427 1.00 0.00 C ATOM 429 CE LYS A 26 8.120 0.562 -2.824 1.00 0.00 C ATOM 430 NZ LYS A 26 7.033 0.398 -3.839 1.00 0.00 N ATOM 0 H LYS A 26 8.155 2.176 0.991 1.00 0.00 H new ATOM 0 HA LYS A 26 9.667 4.606 0.277 1.00 0.00 H new ATOM 0 HB2 LYS A 26 10.878 2.906 -0.624 1.00 0.00 H new ATOM 0 HB3 LYS A 26 9.602 1.758 -0.269 1.00 0.00 H new ATOM 0 HG2 LYS A 26 9.647 3.520 -2.768 1.00 0.00 H new ATOM 0 HG3 LYS A 26 10.235 1.870 -2.724 1.00 0.00 H new ATOM 0 HD2 LYS A 26 7.557 2.181 -1.495 1.00 0.00 H new ATOM 0 HD3 LYS A 26 7.588 2.633 -3.188 1.00 0.00 H new ATOM 0 HE2 LYS A 26 9.087 0.277 -3.238 1.00 0.00 H new ATOM 0 HE3 LYS A 26 7.944 -0.075 -1.957 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 6.703 -0.588 -3.838 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 6.240 1.029 -3.604 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 7.399 0.639 -4.782 1.00 0.00 H new ATOM 444 N LYS A 27 6.749 4.447 -1.025 1.00 0.00 N ATOM 445 CA LYS A 27 5.845 5.247 -1.921 1.00 0.00 C ATOM 446 C LYS A 27 5.802 6.710 -1.467 1.00 0.00 C ATOM 447 O LYS A 27 6.298 7.581 -2.156 1.00 0.00 O ATOM 448 CB LYS A 27 4.454 4.617 -1.794 1.00 0.00 C ATOM 449 CG LYS A 27 4.157 3.837 -3.061 1.00 0.00 C ATOM 450 CD LYS A 27 2.713 4.095 -3.518 1.00 0.00 C ATOM 451 CE LYS A 27 2.530 5.580 -3.903 1.00 0.00 C ATOM 452 NZ LYS A 27 2.928 5.688 -5.342 1.00 0.00 N ATOM 0 H LYS A 27 6.276 3.764 -0.434 1.00 0.00 H new ATOM 0 HA LYS A 27 6.199 5.235 -2.952 1.00 0.00 H new ATOM 0 HB2 LYS A 27 4.415 3.958 -0.927 1.00 0.00 H new ATOM 0 HB3 LYS A 27 3.701 5.390 -1.641 1.00 0.00 H new ATOM 0 HG2 LYS A 27 4.853 4.129 -3.848 1.00 0.00 H new ATOM 0 HG3 LYS A 27 4.305 2.772 -2.884 1.00 0.00 H new ATOM 0 HD2 LYS A 27 2.475 3.459 -4.371 1.00 0.00 H new ATOM 0 HD3 LYS A 27 2.019 3.831 -2.720 1.00 0.00 H new ATOM 0 HE2 LYS A 27 1.496 5.895 -3.760 1.00 0.00 H new ATOM 0 HE3 LYS A 27 3.149 6.224 -3.278 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 2.824 6.673 -5.658 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 3.919 5.392 -5.451 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 2.318 5.074 -5.918 1.00 0.00 H new