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 17 SER OG : rot 180:sc=-0.00417 USER MOD Set 1.2: A 18 MET CE :methyl 165:sc=-0.00853 (180deg=-0.307) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 HIS : no HD1:sc= -1.11 X(o=-1.1,f=-1.3) USER MOD Single : A 16 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 26 LYS NZ :NH3+ -154:sc= -0.217 (180deg=-0.667) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 178 N GLY A 12 -2.647 -2.152 -0.478 1.00 0.00 N ATOM 179 CA GLY A 12 -1.285 -2.333 0.123 1.00 0.00 C ATOM 180 C GLY A 12 -1.006 -3.813 0.442 1.00 0.00 C ATOM 181 O GLY A 12 -0.396 -4.111 1.455 1.00 0.00 O ATOM 0 HA2 GLY A 12 -0.528 -1.959 -0.566 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -1.206 -1.741 1.035 1.00 0.00 H new ATOM 185 N LYS A 13 -1.432 -4.737 -0.414 1.00 0.00 N ATOM 186 CA LYS A 13 -1.171 -6.209 -0.161 1.00 0.00 C ATOM 187 C LYS A 13 -1.244 -7.064 -1.461 1.00 0.00 C ATOM 188 O LYS A 13 -0.501 -8.017 -1.606 1.00 0.00 O ATOM 189 CB LYS A 13 -2.212 -6.643 0.909 1.00 0.00 C ATOM 190 CG LYS A 13 -3.485 -7.266 0.299 1.00 0.00 C ATOM 191 CD LYS A 13 -4.400 -6.170 -0.266 1.00 0.00 C ATOM 192 CE LYS A 13 -5.660 -6.054 0.597 1.00 0.00 C ATOM 193 NZ LYS A 13 -6.818 -6.085 -0.351 1.00 0.00 N ATOM 0 H LYS A 13 -1.946 -4.535 -1.271 1.00 0.00 H new ATOM 0 HA LYS A 13 -0.155 -6.372 0.197 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -1.751 -7.363 1.585 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -2.491 -5.776 1.509 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -3.212 -7.964 -0.492 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -4.018 -7.837 1.059 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -3.872 -5.217 -0.286 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -4.673 -6.405 -1.295 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -5.720 -6.875 1.312 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -5.653 -5.129 1.174 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -7.707 -6.009 0.184 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -6.744 -5.288 -1.015 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -6.809 -6.980 -0.881 1.00 0.00 H new ATOM 207 N HIS A 14 -2.146 -6.738 -2.379 1.00 0.00 N ATOM 208 CA HIS A 14 -2.312 -7.524 -3.669 1.00 0.00 C ATOM 209 C HIS A 14 -0.976 -7.755 -4.415 1.00 0.00 C ATOM 210 O HIS A 14 -0.726 -8.838 -4.911 1.00 0.00 O ATOM 211 CB HIS A 14 -3.316 -6.727 -4.561 1.00 0.00 C ATOM 212 CG HIS A 14 -2.920 -5.263 -4.676 1.00 0.00 C ATOM 213 ND1 HIS A 14 -2.066 -4.792 -5.664 1.00 0.00 N ATOM 214 CD2 HIS A 14 -3.207 -4.177 -3.889 1.00 0.00 C ATOM 215 CE1 HIS A 14 -1.867 -3.481 -5.433 1.00 0.00 C ATOM 216 NE2 HIS A 14 -2.543 -3.058 -4.369 1.00 0.00 N ATOM 0 H HIS A 14 -2.785 -5.948 -2.288 1.00 0.00 H new ATOM 0 HA HIS A 14 -2.686 -8.521 -3.437 1.00 0.00 H new ATOM 0 HB2 HIS A 14 -3.355 -7.173 -5.555 1.00 0.00 H new ATOM 0 HB3 HIS A 14 -4.318 -6.802 -4.139 1.00 0.00 H new ATOM 0 HD2 HIS A 14 -3.854 -4.191 -3.024 1.00 0.00 H new ATOM 0 HE1 HIS A 14 -1.235 -2.849 -6.039 1.00 0.00 H new ATOM 0 HE2 HIS A 14 -2.568 -2.112 -3.987 1.00 0.00 H new ATOM 224 N LEU A 15 -0.171 -6.719 -4.485 1.00 0.00 N ATOM 225 CA LEU A 15 1.186 -6.696 -5.178 1.00 0.00 C ATOM 226 C LEU A 15 1.832 -8.096 -5.342 1.00 0.00 C ATOM 227 O LEU A 15 1.871 -8.618 -6.444 1.00 0.00 O ATOM 228 CB LEU A 15 2.110 -5.792 -4.309 1.00 0.00 C ATOM 229 CG LEU A 15 1.401 -4.508 -3.834 1.00 0.00 C ATOM 230 CD1 LEU A 15 0.756 -4.751 -2.467 1.00 0.00 C ATOM 231 CD2 LEU A 15 2.415 -3.371 -3.708 1.00 0.00 C ATOM 0 H LEU A 15 -0.409 -5.822 -4.063 1.00 0.00 H new ATOM 0 HA LEU A 15 1.053 -6.319 -6.192 1.00 0.00 H new ATOM 0 HB2 LEU A 15 2.453 -6.356 -3.442 1.00 0.00 H new ATOM 0 HB3 LEU A 15 2.995 -5.523 -4.885 1.00 0.00 H new ATOM 0 HG LEU A 15 0.636 -4.238 -4.562 1.00 0.00 H new ATOM 0 HD11 LEU A 15 0.256 -3.842 -2.134 1.00 0.00 H new ATOM 0 HD12 LEU A 15 0.027 -5.558 -2.547 1.00 0.00 H new ATOM 0 HD13 LEU A 15 1.525 -5.027 -1.746 1.00 0.00 H new ATOM 0 HD21 LEU A 15 1.908 -2.467 -3.372 1.00 0.00 H new ATOM 0 HD22 LEU A 15 3.183 -3.646 -2.985 1.00 0.00 H new ATOM 0 HD23 LEU A 15 2.879 -3.188 -4.677 1.00 0.00 H new ATOM 243 N ASN A 16 2.341 -8.698 -4.264 1.00 0.00 N ATOM 244 CA ASN A 16 2.996 -10.054 -4.361 1.00 0.00 C ATOM 245 C ASN A 16 3.265 -10.639 -2.952 1.00 0.00 C ATOM 246 O ASN A 16 2.601 -11.572 -2.535 1.00 0.00 O ATOM 247 CB ASN A 16 4.304 -9.810 -5.147 1.00 0.00 C ATOM 248 CG ASN A 16 5.140 -11.091 -5.205 1.00 0.00 C ATOM 249 OD1 ASN A 16 4.843 -11.996 -5.960 1.00 0.00 O ATOM 250 ND2 ASN A 16 6.180 -11.202 -4.430 1.00 0.00 N ATOM 0 H ASN A 16 2.326 -8.300 -3.325 1.00 0.00 H new ATOM 0 HA ASN A 16 2.364 -10.786 -4.863 1.00 0.00 H new ATOM 0 HB2 ASN A 16 4.071 -9.474 -6.158 1.00 0.00 H new ATOM 0 HB3 ASN A 16 4.878 -9.015 -4.672 1.00 0.00 H new ATOM 0 HD21 ASN A 16 6.747 -12.049 -4.456 1.00 0.00 H new ATOM 0 HD22 ASN A 16 6.428 -10.442 -3.797 1.00 0.00 H new ATOM 257 N SER A 17 4.236 -10.095 -2.240 1.00 0.00 N ATOM 258 CA SER A 17 4.599 -10.582 -0.859 1.00 0.00 C ATOM 259 C SER A 17 5.541 -9.550 -0.216 1.00 0.00 C ATOM 260 O SER A 17 5.235 -8.986 0.821 1.00 0.00 O ATOM 261 CB SER A 17 5.309 -11.933 -1.055 1.00 0.00 C ATOM 262 OG SER A 17 5.401 -12.601 0.196 1.00 0.00 O ATOM 0 H SER A 17 4.805 -9.315 -2.568 1.00 0.00 H new ATOM 0 HA SER A 17 3.732 -10.702 -0.209 1.00 0.00 H new ATOM 0 HB2 SER A 17 4.758 -12.546 -1.768 1.00 0.00 H new ATOM 0 HB3 SER A 17 6.304 -11.777 -1.471 1.00 0.00 H new ATOM 0 HG SER A 17 5.851 -13.463 0.074 1.00 0.00 H new ATOM 268 N MET A 18 6.656 -9.270 -0.872 1.00 0.00 N ATOM 269 CA MET A 18 7.619 -8.231 -0.376 1.00 0.00 C ATOM 270 C MET A 18 7.299 -6.863 -1.032 1.00 0.00 C ATOM 271 O MET A 18 7.772 -5.838 -0.565 1.00 0.00 O ATOM 272 CB MET A 18 9.016 -8.721 -0.797 1.00 0.00 C ATOM 273 CG MET A 18 9.648 -9.537 0.338 1.00 0.00 C ATOM 274 SD MET A 18 9.095 -11.261 0.235 1.00 0.00 S ATOM 275 CE MET A 18 8.057 -11.264 1.719 1.00 0.00 C ATOM 0 H MET A 18 6.937 -9.726 -1.740 1.00 0.00 H new ATOM 0 HA MET A 18 7.556 -8.096 0.704 1.00 0.00 H new ATOM 0 HB2 MET A 18 8.941 -9.331 -1.697 1.00 0.00 H new ATOM 0 HB3 MET A 18 9.651 -7.870 -1.042 1.00 0.00 H new ATOM 0 HG2 MET A 18 10.735 -9.489 0.271 1.00 0.00 H new ATOM 0 HG3 MET A 18 9.369 -9.113 1.303 1.00 0.00 H new ATOM 0 HE1 MET A 18 7.409 -12.140 1.708 1.00 0.00 H new ATOM 0 HE2 MET A 18 8.690 -11.292 2.606 1.00 0.00 H new ATOM 0 HE3 MET A 18 7.446 -10.361 1.738 1.00 0.00 H new ATOM 285 N GLU A 19 6.490 -6.836 -2.101 1.00 0.00 N ATOM 286 CA GLU A 19 6.129 -5.536 -2.773 1.00 0.00 C ATOM 287 C GLU A 19 5.305 -4.663 -1.817 1.00 0.00 C ATOM 288 O GLU A 19 5.594 -3.500 -1.660 1.00 0.00 O ATOM 289 CB GLU A 19 5.303 -5.911 -4.009 1.00 0.00 C ATOM 290 CG GLU A 19 6.189 -6.595 -5.061 1.00 0.00 C ATOM 291 CD GLU A 19 5.574 -6.399 -6.453 1.00 0.00 C ATOM 292 OE1 GLU A 19 4.606 -7.079 -6.759 1.00 0.00 O ATOM 293 OE2 GLU A 19 6.080 -5.568 -7.189 1.00 0.00 O ATOM 0 H GLU A 19 6.072 -7.664 -2.525 1.00 0.00 H new ATOM 0 HA GLU A 19 7.015 -4.966 -3.051 1.00 0.00 H new ATOM 0 HB2 GLU A 19 4.489 -6.577 -3.722 1.00 0.00 H new ATOM 0 HB3 GLU A 19 4.848 -5.017 -4.434 1.00 0.00 H new ATOM 0 HG2 GLU A 19 7.195 -6.175 -5.034 1.00 0.00 H new ATOM 0 HG3 GLU A 19 6.281 -7.658 -4.839 1.00 0.00 H new ATOM 300 N ARG A 20 4.302 -5.228 -1.156 1.00 0.00 N ATOM 301 CA ARG A 20 3.478 -4.425 -0.164 1.00 0.00 C ATOM 302 C ARG A 20 4.365 -3.916 0.991 1.00 0.00 C ATOM 303 O ARG A 20 4.118 -2.849 1.521 1.00 0.00 O ATOM 304 CB ARG A 20 2.357 -5.339 0.395 1.00 0.00 C ATOM 305 CG ARG A 20 2.884 -6.721 0.820 1.00 0.00 C ATOM 306 CD ARG A 20 2.406 -7.771 -0.191 1.00 0.00 C ATOM 307 NE ARG A 20 1.363 -8.565 0.526 1.00 0.00 N ATOM 308 CZ ARG A 20 1.399 -9.874 0.504 1.00 0.00 C ATOM 309 NH1 ARG A 20 0.792 -10.528 -0.461 1.00 0.00 N ATOM 310 NH2 ARG A 20 2.040 -10.527 1.449 1.00 0.00 N ATOM 0 H ARG A 20 4.020 -6.203 -1.259 1.00 0.00 H new ATOM 0 HA ARG A 20 3.045 -3.559 -0.665 1.00 0.00 H new ATOM 0 HB2 ARG A 20 1.889 -4.853 1.251 1.00 0.00 H new ATOM 0 HB3 ARG A 20 1.583 -5.465 -0.363 1.00 0.00 H new ATOM 0 HG2 ARG A 20 3.973 -6.711 0.866 1.00 0.00 H new ATOM 0 HG3 ARG A 20 2.525 -6.970 1.819 1.00 0.00 H new ATOM 0 HD2 ARG A 20 1.996 -7.299 -1.084 1.00 0.00 H new ATOM 0 HD3 ARG A 20 3.229 -8.407 -0.516 1.00 0.00 H new ATOM 0 HE ARG A 20 0.620 -8.086 1.035 1.00 0.00 H new ATOM 0 HH11 ARG A 20 0.295 -10.016 -1.190 1.00 0.00 H new ATOM 0 HH12 ARG A 20 0.818 -11.547 -0.481 1.00 0.00 H new ATOM 0 HH21 ARG A 20 2.507 -10.014 2.196 1.00 0.00 H new ATOM 0 HH22 ARG A 20 2.070 -11.546 1.434 1.00 0.00 H new ATOM 324 N VAL A 21 5.401 -4.666 1.367 1.00 0.00 N ATOM 325 CA VAL A 21 6.320 -4.224 2.479 1.00 0.00 C ATOM 326 C VAL A 21 7.017 -2.907 2.077 1.00 0.00 C ATOM 327 O VAL A 21 6.912 -1.923 2.788 1.00 0.00 O ATOM 328 CB VAL A 21 7.345 -5.371 2.680 1.00 0.00 C ATOM 329 CG1 VAL A 21 8.389 -4.971 3.732 1.00 0.00 C ATOM 330 CG2 VAL A 21 6.624 -6.644 3.155 1.00 0.00 C ATOM 0 H VAL A 21 5.642 -5.563 0.947 1.00 0.00 H new ATOM 0 HA VAL A 21 5.782 -4.033 3.407 1.00 0.00 H new ATOM 0 HB VAL A 21 7.840 -5.561 1.728 1.00 0.00 H new ATOM 0 HG11 VAL A 21 9.103 -5.784 3.864 1.00 0.00 H new ATOM 0 HG12 VAL A 21 8.916 -4.076 3.400 1.00 0.00 H new ATOM 0 HG13 VAL A 21 7.891 -4.768 4.680 1.00 0.00 H new ATOM 0 HG21 VAL A 21 7.351 -7.444 3.293 1.00 0.00 H new ATOM 0 HG22 VAL A 21 6.119 -6.445 4.100 1.00 0.00 H new ATOM 0 HG23 VAL A 21 5.890 -6.946 2.408 1.00 0.00 H new ATOM 340 N GLU A 22 7.696 -2.878 0.933 1.00 0.00 N ATOM 341 CA GLU A 22 8.378 -1.608 0.473 1.00 0.00 C ATOM 342 C GLU A 22 7.339 -0.549 0.033 1.00 0.00 C ATOM 343 O GLU A 22 7.563 0.633 0.205 1.00 0.00 O ATOM 344 CB GLU A 22 9.327 -2.003 -0.686 1.00 0.00 C ATOM 345 CG GLU A 22 8.541 -2.489 -1.919 1.00 0.00 C ATOM 346 CD GLU A 22 9.449 -3.319 -2.830 1.00 0.00 C ATOM 347 OE1 GLU A 22 10.090 -2.735 -3.689 1.00 0.00 O ATOM 348 OE2 GLU A 22 9.483 -4.528 -2.659 1.00 0.00 O ATOM 0 H GLU A 22 7.804 -3.675 0.306 1.00 0.00 H new ATOM 0 HA GLU A 22 8.945 -1.152 1.284 1.00 0.00 H new ATOM 0 HB2 GLU A 22 9.944 -1.147 -0.960 1.00 0.00 H new ATOM 0 HB3 GLU A 22 10.004 -2.789 -0.352 1.00 0.00 H new ATOM 0 HG2 GLU A 22 7.686 -3.087 -1.602 1.00 0.00 H new ATOM 0 HG3 GLU A 22 8.146 -1.634 -2.468 1.00 0.00 H new ATOM 355 N TRP A 23 6.208 -0.968 -0.518 1.00 0.00 N ATOM 356 CA TRP A 23 5.143 -0.026 -0.957 1.00 0.00 C ATOM 357 C TRP A 23 4.511 0.707 0.238 1.00 0.00 C ATOM 358 O TRP A 23 4.176 1.869 0.122 1.00 0.00 O ATOM 359 CB TRP A 23 4.150 -0.951 -1.667 1.00 0.00 C ATOM 360 CG TRP A 23 3.053 -0.182 -2.271 1.00 0.00 C ATOM 361 CD1 TRP A 23 2.998 0.194 -3.544 1.00 0.00 C ATOM 362 CD2 TRP A 23 1.858 0.283 -1.635 1.00 0.00 C ATOM 363 NE1 TRP A 23 1.810 0.883 -3.750 1.00 0.00 N ATOM 364 CE2 TRP A 23 1.067 0.958 -2.580 1.00 0.00 C ATOM 365 CE3 TRP A 23 1.410 0.171 -0.329 1.00 0.00 C ATOM 366 CZ2 TRP A 23 -0.164 1.514 -2.226 1.00 0.00 C ATOM 367 CZ3 TRP A 23 0.179 0.722 0.046 1.00 0.00 C ATOM 368 CH2 TRP A 23 -0.613 1.393 -0.903 1.00 0.00 C ATOM 0 H TRP A 23 5.988 -1.951 -0.679 1.00 0.00 H new ATOM 0 HA TRP A 23 5.506 0.776 -1.599 1.00 0.00 H new ATOM 0 HB2 TRP A 23 4.667 -1.521 -2.439 1.00 0.00 H new ATOM 0 HB3 TRP A 23 3.746 -1.671 -0.955 1.00 0.00 H new ATOM 0 HD1 TRP A 23 3.751 -0.003 -4.293 1.00 0.00 H new ATOM 0 HE1 TRP A 23 1.521 1.281 -4.643 1.00 0.00 H new ATOM 0 HE3 TRP A 23 2.014 -0.344 0.404 1.00 0.00 H new ATOM 0 HZ2 TRP A 23 -0.763 2.031 -2.962 1.00 0.00 H new ATOM 0 HZ3 TRP A 23 -0.163 0.632 1.066 1.00 0.00 H new ATOM 0 HH2 TRP A 23 -1.565 1.814 -0.614 1.00 0.00 H new ATOM 379 N LEU A 24 4.361 0.054 1.377 1.00 0.00 N ATOM 380 CA LEU A 24 3.760 0.740 2.578 1.00 0.00 C ATOM 381 C LEU A 24 4.723 1.802 3.176 1.00 0.00 C ATOM 382 O LEU A 24 4.303 2.604 3.995 1.00 0.00 O ATOM 383 CB LEU A 24 3.475 -0.375 3.599 1.00 0.00 C ATOM 384 CG LEU A 24 2.175 -1.112 3.228 1.00 0.00 C ATOM 385 CD1 LEU A 24 2.124 -2.460 3.954 1.00 0.00 C ATOM 386 CD2 LEU A 24 0.960 -0.268 3.638 1.00 0.00 C ATOM 0 H LEU A 24 4.628 -0.919 1.525 1.00 0.00 H new ATOM 0 HA LEU A 24 2.854 1.280 2.304 1.00 0.00 H new ATOM 0 HB2 LEU A 24 4.307 -1.079 3.623 1.00 0.00 H new ATOM 0 HB3 LEU A 24 3.389 0.050 4.599 1.00 0.00 H new ATOM 0 HG LEU A 24 2.154 -1.275 2.150 1.00 0.00 H new ATOM 0 HD11 LEU A 24 1.203 -2.981 3.691 1.00 0.00 H new ATOM 0 HD12 LEU A 24 2.981 -3.065 3.658 1.00 0.00 H new ATOM 0 HD13 LEU A 24 2.152 -2.294 5.031 1.00 0.00 H new ATOM 0 HD21 LEU A 24 0.044 -0.796 3.372 1.00 0.00 H new ATOM 0 HD22 LEU A 24 0.982 -0.098 4.714 1.00 0.00 H new ATOM 0 HD23 LEU A 24 0.990 0.690 3.119 1.00 0.00 H new ATOM 398 N ARG A 25 5.996 1.829 2.769 1.00 0.00 N ATOM 399 CA ARG A 25 6.961 2.854 3.315 1.00 0.00 C ATOM 400 C ARG A 25 7.458 3.820 2.223 1.00 0.00 C ATOM 401 O ARG A 25 7.467 5.022 2.431 1.00 0.00 O ATOM 402 CB ARG A 25 8.166 2.103 3.937 1.00 0.00 C ATOM 403 CG ARG A 25 8.665 0.926 3.080 1.00 0.00 C ATOM 404 CD ARG A 25 9.849 0.246 3.787 1.00 0.00 C ATOM 405 NE ARG A 25 9.482 -1.200 3.887 1.00 0.00 N ATOM 406 CZ ARG A 25 10.410 -2.126 3.803 1.00 0.00 C ATOM 407 NH1 ARG A 25 11.012 -2.357 2.654 1.00 0.00 N ATOM 408 NH2 ARG A 25 10.735 -2.821 4.871 1.00 0.00 N ATOM 0 H ARG A 25 6.396 1.185 2.086 1.00 0.00 H new ATOM 0 HA ARG A 25 6.445 3.454 4.064 1.00 0.00 H new ATOM 0 HB2 ARG A 25 8.985 2.807 4.086 1.00 0.00 H new ATOM 0 HB3 ARG A 25 7.883 1.731 4.922 1.00 0.00 H new ATOM 0 HG2 ARG A 25 7.860 0.208 2.924 1.00 0.00 H new ATOM 0 HG3 ARG A 25 8.970 1.282 2.096 1.00 0.00 H new ATOM 0 HD2 ARG A 25 10.771 0.378 3.221 1.00 0.00 H new ATOM 0 HD3 ARG A 25 10.016 0.677 4.774 1.00 0.00 H new ATOM 0 HE ARG A 25 8.507 -1.469 4.021 1.00 0.00 H new ATOM 0 HH11 ARG A 25 10.758 -1.816 1.827 1.00 0.00 H new ATOM 0 HH12 ARG A 25 11.732 -3.076 2.591 1.00 0.00 H new ATOM 0 HH21 ARG A 25 10.267 -2.640 5.759 1.00 0.00 H new ATOM 0 HH22 ARG A 25 11.455 -3.541 4.811 1.00 0.00 H new ATOM 422 N LYS A 26 7.890 3.308 1.079 1.00 0.00 N ATOM 423 CA LYS A 26 8.421 4.203 -0.015 1.00 0.00 C ATOM 424 C LYS A 26 7.304 5.025 -0.714 1.00 0.00 C ATOM 425 O LYS A 26 7.609 6.008 -1.362 1.00 0.00 O ATOM 426 CB LYS A 26 9.265 3.286 -0.960 1.00 0.00 C ATOM 427 CG LYS A 26 8.770 3.300 -2.413 1.00 0.00 C ATOM 428 CD LYS A 26 7.398 2.647 -2.455 1.00 0.00 C ATOM 429 CE LYS A 26 7.490 1.254 -3.106 1.00 0.00 C ATOM 430 NZ LYS A 26 6.288 1.132 -3.990 1.00 0.00 N ATOM 0 H LYS A 26 7.897 2.312 0.859 1.00 0.00 H new ATOM 0 HA LYS A 26 9.063 4.988 0.384 1.00 0.00 H new ATOM 0 HB2 LYS A 26 10.306 3.608 -0.934 1.00 0.00 H new ATOM 0 HB3 LYS A 26 9.238 2.264 -0.583 1.00 0.00 H new ATOM 0 HG2 LYS A 26 8.716 4.323 -2.786 1.00 0.00 H new ATOM 0 HG3 LYS A 26 9.466 2.763 -3.057 1.00 0.00 H new ATOM 0 HD2 LYS A 26 6.999 2.558 -1.445 1.00 0.00 H new ATOM 0 HD3 LYS A 26 6.706 3.274 -3.017 1.00 0.00 H new ATOM 0 HE2 LYS A 26 8.410 1.152 -3.682 1.00 0.00 H new ATOM 0 HE3 LYS A 26 7.499 0.469 -2.349 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 6.043 0.128 -4.107 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 5.487 1.636 -3.558 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 6.498 1.547 -4.920 1.00 0.00 H new ATOM 444 N LYS A 27 6.030 4.654 -0.581 1.00 0.00 N ATOM 445 CA LYS A 27 4.928 5.449 -1.230 1.00 0.00 C ATOM 446 C LYS A 27 4.936 6.893 -0.715 1.00 0.00 C ATOM 447 O LYS A 27 5.161 7.820 -1.469 1.00 0.00 O ATOM 448 CB LYS A 27 3.620 4.759 -0.827 1.00 0.00 C ATOM 449 CG LYS A 27 3.027 4.079 -2.046 1.00 0.00 C ATOM 450 CD LYS A 27 1.507 4.286 -2.076 1.00 0.00 C ATOM 451 CE LYS A 27 1.178 5.784 -2.245 1.00 0.00 C ATOM 452 NZ LYS A 27 0.968 5.994 -3.711 1.00 0.00 N ATOM 0 H LYS A 27 5.718 3.839 -0.053 1.00 0.00 H new ATOM 0 HA LYS A 27 5.050 5.487 -2.312 1.00 0.00 H new ATOM 0 HB2 LYS A 27 3.807 4.027 -0.041 1.00 0.00 H new ATOM 0 HB3 LYS A 27 2.918 5.489 -0.423 1.00 0.00 H new ATOM 0 HG2 LYS A 27 3.475 4.485 -2.953 1.00 0.00 H new ATOM 0 HG3 LYS A 27 3.257 3.014 -2.026 1.00 0.00 H new ATOM 0 HD2 LYS A 27 1.071 3.715 -2.896 1.00 0.00 H new ATOM 0 HD3 LYS A 27 1.063 3.910 -1.154 1.00 0.00 H new ATOM 0 HE2 LYS A 27 0.286 6.054 -1.680 1.00 0.00 H new ATOM 0 HE3 LYS A 27 1.992 6.407 -1.874 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 0.741 6.993 -3.890 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 1.835 5.738 -4.226 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 0.182 5.397 -4.038 1.00 0.00 H new