USER MOD reduce.3.24.130724 H: found=0, std=0, add=143, rem=0, adj=2 USER MOD reduce.3.24.130724 removed 144 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 16 ASN : amide:sc= -0.279 K(o=-0.28,f=-5.4!) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 18 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ -154:sc= -0.0798 (180deg=-0.484) USER MOD Single : A 29 GLN : amide:sc= -0.369 K(o=-0.37,f=-3.6!) USER MOD ----------------------------------------------------------------- ATOM 224 N LEU A 15 8.240 2.165 3.724 1.00 0.00 N ATOM 225 CA LEU A 15 7.283 2.793 2.713 1.00 0.00 C ATOM 226 C LEU A 15 7.088 4.276 3.099 1.00 0.00 C ATOM 227 O LEU A 15 6.985 4.602 4.274 1.00 0.00 O ATOM 228 CB LEU A 15 5.920 2.067 2.623 1.00 0.00 C ATOM 229 CG LEU A 15 5.196 2.441 1.333 1.00 0.00 C ATOM 230 CD1 LEU A 15 4.434 1.225 0.798 1.00 0.00 C ATOM 231 CD2 LEU A 15 4.209 3.567 1.606 1.00 0.00 C ATOM 0 HA LEU A 15 7.725 2.701 1.721 1.00 0.00 H new ATOM 0 HB2 LEU A 15 6.073 0.988 2.661 1.00 0.00 H new ATOM 0 HB3 LEU A 15 5.304 2.332 3.482 1.00 0.00 H new ATOM 0 HG LEU A 15 5.929 2.768 0.596 1.00 0.00 H new ATOM 0 HD11 LEU A 15 3.918 1.495 -0.123 1.00 0.00 H new ATOM 0 HD12 LEU A 15 5.136 0.416 0.597 1.00 0.00 H new ATOM 0 HD13 LEU A 15 3.705 0.897 1.539 1.00 0.00 H new ATOM 0 HD21 LEU A 15 3.694 3.831 0.682 1.00 0.00 H new ATOM 0 HD22 LEU A 15 3.480 3.240 2.347 1.00 0.00 H new ATOM 0 HD23 LEU A 15 4.745 4.437 1.984 1.00 0.00 H new ATOM 243 N ASN A 16 7.078 5.179 2.124 1.00 0.00 N ATOM 244 CA ASN A 16 6.942 6.649 2.424 1.00 0.00 C ATOM 245 C ASN A 16 5.487 7.149 2.157 1.00 0.00 C ATOM 246 O ASN A 16 4.535 6.427 2.396 1.00 0.00 O ATOM 247 CB ASN A 16 8.015 7.421 1.599 1.00 0.00 C ATOM 248 CG ASN A 16 7.831 7.208 0.080 1.00 0.00 C ATOM 249 OD1 ASN A 16 6.984 7.817 -0.537 1.00 0.00 O ATOM 250 ND2 ASN A 16 8.605 6.370 -0.550 1.00 0.00 N ATOM 0 H ASN A 16 7.159 4.953 1.133 1.00 0.00 H new ATOM 0 HA ASN A 16 7.122 6.837 3.482 1.00 0.00 H new ATOM 0 HB2 ASN A 16 7.953 8.485 1.827 1.00 0.00 H new ATOM 0 HB3 ASN A 16 9.010 7.089 1.895 1.00 0.00 H new ATOM 0 HD21 ASN A 16 8.495 6.231 -1.554 1.00 0.00 H new ATOM 0 HD22 ASN A 16 9.320 5.853 -0.039 1.00 0.00 H new ATOM 257 N SER A 17 5.309 8.383 1.702 1.00 0.00 N ATOM 258 CA SER A 17 3.933 8.947 1.451 1.00 0.00 C ATOM 259 C SER A 17 3.486 8.674 0.005 1.00 0.00 C ATOM 260 O SER A 17 2.366 8.242 -0.213 1.00 0.00 O ATOM 261 CB SER A 17 3.941 10.458 1.707 1.00 0.00 C ATOM 262 OG SER A 17 4.083 10.697 3.102 1.00 0.00 O ATOM 0 H SER A 17 6.072 9.027 1.493 1.00 0.00 H new ATOM 0 HA SER A 17 3.232 8.461 2.130 1.00 0.00 H new ATOM 0 HB2 SER A 17 4.760 10.927 1.161 1.00 0.00 H new ATOM 0 HB3 SER A 17 3.017 10.905 1.342 1.00 0.00 H new ATOM 0 HG SER A 17 4.090 11.663 3.269 1.00 0.00 H new ATOM 268 N MET A 18 4.344 8.914 -0.984 1.00 0.00 N ATOM 269 CA MET A 18 3.956 8.650 -2.416 1.00 0.00 C ATOM 270 C MET A 18 3.739 7.139 -2.616 1.00 0.00 C ATOM 271 O MET A 18 2.787 6.744 -3.255 1.00 0.00 O ATOM 272 CB MET A 18 5.031 9.159 -3.382 1.00 0.00 C ATOM 273 CG MET A 18 4.352 9.564 -4.693 1.00 0.00 C ATOM 274 SD MET A 18 5.601 10.048 -5.908 1.00 0.00 S ATOM 275 CE MET A 18 4.491 10.179 -7.332 1.00 0.00 C ATOM 0 H MET A 18 5.288 9.279 -0.855 1.00 0.00 H new ATOM 0 HA MET A 18 3.031 9.186 -2.631 1.00 0.00 H new ATOM 0 HB2 MET A 18 5.557 10.010 -2.949 1.00 0.00 H new ATOM 0 HB3 MET A 18 5.775 8.383 -3.564 1.00 0.00 H new ATOM 0 HG2 MET A 18 3.760 8.734 -5.078 1.00 0.00 H new ATOM 0 HG3 MET A 18 3.664 10.391 -4.516 1.00 0.00 H new ATOM 0 HE1 MET A 18 5.062 10.473 -8.213 1.00 0.00 H new ATOM 0 HE2 MET A 18 4.016 9.215 -7.513 1.00 0.00 H new ATOM 0 HE3 MET A 18 3.726 10.928 -7.129 1.00 0.00 H new ATOM 285 N GLU A 19 4.580 6.298 -2.025 1.00 0.00 N ATOM 286 CA GLU A 19 4.378 4.806 -2.126 1.00 0.00 C ATOM 287 C GLU A 19 3.013 4.428 -1.492 1.00 0.00 C ATOM 288 O GLU A 19 2.397 3.452 -1.876 1.00 0.00 O ATOM 289 CB GLU A 19 5.488 4.080 -1.365 1.00 0.00 C ATOM 290 CG GLU A 19 6.743 3.964 -2.229 1.00 0.00 C ATOM 291 CD GLU A 19 7.733 2.995 -1.564 1.00 0.00 C ATOM 292 OE1 GLU A 19 8.315 3.363 -0.551 1.00 0.00 O ATOM 293 OE2 GLU A 19 7.894 1.900 -2.076 1.00 0.00 O ATOM 0 H GLU A 19 5.393 6.584 -1.480 1.00 0.00 H new ATOM 0 HA GLU A 19 4.399 4.514 -3.176 1.00 0.00 H new ATOM 0 HB2 GLU A 19 5.720 4.620 -0.447 1.00 0.00 H new ATOM 0 HB3 GLU A 19 5.147 3.087 -1.073 1.00 0.00 H new ATOM 0 HG2 GLU A 19 6.481 3.607 -3.225 1.00 0.00 H new ATOM 0 HG3 GLU A 19 7.204 4.944 -2.353 1.00 0.00 H new ATOM 300 N ARG A 20 2.543 5.215 -0.530 1.00 0.00 N ATOM 301 CA ARG A 20 1.220 4.952 0.130 1.00 0.00 C ATOM 302 C ARG A 20 0.070 5.436 -0.779 1.00 0.00 C ATOM 303 O ARG A 20 -0.984 4.828 -0.776 1.00 0.00 O ATOM 304 CB ARG A 20 1.136 5.711 1.473 1.00 0.00 C ATOM 305 CG ARG A 20 1.632 4.828 2.621 1.00 0.00 C ATOM 306 CD ARG A 20 0.993 5.266 3.945 1.00 0.00 C ATOM 307 NE ARG A 20 2.053 5.784 4.869 1.00 0.00 N ATOM 308 CZ ARG A 20 2.913 4.964 5.424 1.00 0.00 C ATOM 309 NH1 ARG A 20 2.563 4.264 6.475 1.00 0.00 N ATOM 310 NH2 ARG A 20 4.120 4.849 4.926 1.00 0.00 N ATOM 0 H ARG A 20 3.034 6.036 -0.177 1.00 0.00 H new ATOM 0 HA ARG A 20 1.131 3.880 0.304 1.00 0.00 H new ATOM 0 HB2 ARG A 20 1.735 6.620 1.421 1.00 0.00 H new ATOM 0 HB3 ARG A 20 0.107 6.017 1.661 1.00 0.00 H new ATOM 0 HG2 ARG A 20 1.387 3.785 2.419 1.00 0.00 H new ATOM 0 HG3 ARG A 20 2.718 4.892 2.695 1.00 0.00 H new ATOM 0 HD2 ARG A 20 0.247 6.039 3.762 1.00 0.00 H new ATOM 0 HD3 ARG A 20 0.474 4.425 4.406 1.00 0.00 H new ATOM 0 HE ARG A 20 2.106 6.783 5.068 1.00 0.00 H new ATOM 0 HH11 ARG A 20 1.623 4.357 6.860 1.00 0.00 H new ATOM 0 HH12 ARG A 20 3.230 3.626 6.908 1.00 0.00 H new ATOM 0 HH21 ARG A 20 4.389 5.397 4.109 1.00 0.00 H new ATOM 0 HH22 ARG A 20 4.791 4.212 5.356 1.00 0.00 H new ATOM 324 N VAL A 21 0.257 6.493 -1.584 1.00 0.00 N ATOM 325 CA VAL A 21 -0.850 6.943 -2.524 1.00 0.00 C ATOM 326 C VAL A 21 -1.332 5.705 -3.333 1.00 0.00 C ATOM 327 O VAL A 21 -2.496 5.568 -3.640 1.00 0.00 O ATOM 328 CB VAL A 21 -0.345 8.081 -3.466 1.00 0.00 C ATOM 329 CG1 VAL A 21 0.394 7.538 -4.704 1.00 0.00 C ATOM 330 CG2 VAL A 21 -1.548 8.902 -3.939 1.00 0.00 C ATOM 0 H VAL A 21 1.112 7.048 -1.625 1.00 0.00 H new ATOM 0 HA VAL A 21 -1.685 7.352 -1.955 1.00 0.00 H new ATOM 0 HB VAL A 21 0.358 8.690 -2.897 1.00 0.00 H new ATOM 0 HG11 VAL A 21 0.724 8.371 -5.325 1.00 0.00 H new ATOM 0 HG12 VAL A 21 1.260 6.958 -4.385 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -0.278 6.901 -5.279 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -1.207 9.700 -4.598 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -2.240 8.256 -4.479 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -2.055 9.335 -3.077 1.00 0.00 H new ATOM 340 N GLU A 22 -0.407 4.798 -3.608 1.00 0.00 N ATOM 341 CA GLU A 22 -0.680 3.516 -4.325 1.00 0.00 C ATOM 342 C GLU A 22 -1.560 2.593 -3.470 1.00 0.00 C ATOM 343 O GLU A 22 -2.612 2.152 -3.895 1.00 0.00 O ATOM 344 CB GLU A 22 0.670 2.816 -4.473 1.00 0.00 C ATOM 345 CG GLU A 22 1.213 2.977 -5.899 1.00 0.00 C ATOM 346 CD GLU A 22 1.660 4.431 -6.122 1.00 0.00 C ATOM 347 OE1 GLU A 22 2.692 4.806 -5.588 1.00 0.00 O ATOM 348 OE2 GLU A 22 0.956 5.146 -6.818 1.00 0.00 O ATOM 0 H GLU A 22 0.572 4.912 -3.346 1.00 0.00 H new ATOM 0 HA GLU A 22 -1.178 3.719 -5.273 1.00 0.00 H new ATOM 0 HB2 GLU A 22 1.381 3.232 -3.759 1.00 0.00 H new ATOM 0 HB3 GLU A 22 0.564 1.757 -4.237 1.00 0.00 H new ATOM 0 HG2 GLU A 22 2.052 2.300 -6.057 1.00 0.00 H new ATOM 0 HG3 GLU A 22 0.445 2.707 -6.624 1.00 0.00 H new ATOM 355 N TRP A 23 -1.085 2.286 -2.271 1.00 0.00 N ATOM 356 CA TRP A 23 -1.805 1.377 -1.321 1.00 0.00 C ATOM 357 C TRP A 23 -3.231 1.890 -1.076 1.00 0.00 C ATOM 358 O TRP A 23 -4.196 1.145 -1.146 1.00 0.00 O ATOM 359 CB TRP A 23 -0.958 1.307 -0.009 1.00 0.00 C ATOM 360 CG TRP A 23 -1.525 2.112 1.148 1.00 0.00 C ATOM 361 CD1 TRP A 23 -1.083 3.276 1.564 1.00 0.00 C ATOM 362 CD2 TRP A 23 -2.625 1.801 1.991 1.00 0.00 C ATOM 363 NE1 TRP A 23 -1.816 3.689 2.668 1.00 0.00 N ATOM 364 CE2 TRP A 23 -2.785 2.780 2.973 1.00 0.00 C ATOM 365 CE3 TRP A 23 -3.449 0.751 1.973 1.00 0.00 C ATOM 366 CZ2 TRP A 23 -3.774 2.680 3.945 1.00 0.00 C ATOM 367 CZ3 TRP A 23 -4.469 0.606 2.920 1.00 0.00 C ATOM 368 CH2 TRP A 23 -4.626 1.572 3.922 1.00 0.00 C ATOM 0 H TRP A 23 -0.201 2.644 -1.910 1.00 0.00 H new ATOM 0 HA TRP A 23 -1.910 0.372 -1.731 1.00 0.00 H new ATOM 0 HB2 TRP A 23 -0.871 0.265 0.298 1.00 0.00 H new ATOM 0 HB3 TRP A 23 0.050 1.662 -0.223 1.00 0.00 H new ATOM 0 HD1 TRP A 23 -0.271 3.829 1.115 1.00 0.00 H new ATOM 0 HE1 TRP A 23 -1.652 4.555 3.181 1.00 0.00 H new ATOM 0 HE3 TRP A 23 -3.326 -0.004 1.210 1.00 0.00 H new ATOM 0 HZ2 TRP A 23 -3.882 3.443 4.702 1.00 0.00 H new ATOM 0 HZ3 TRP A 23 -5.131 -0.246 2.878 1.00 0.00 H new ATOM 0 HH2 TRP A 23 -5.398 1.462 4.669 1.00 0.00 H new ATOM 379 N LEU A 24 -3.339 3.159 -0.783 1.00 0.00 N ATOM 380 CA LEU A 24 -4.646 3.779 -0.510 1.00 0.00 C ATOM 381 C LEU A 24 -5.433 4.026 -1.812 1.00 0.00 C ATOM 382 O LEU A 24 -6.639 4.208 -1.767 1.00 0.00 O ATOM 383 CB LEU A 24 -4.401 5.048 0.293 1.00 0.00 C ATOM 384 CG LEU A 24 -4.004 6.235 -0.615 1.00 0.00 C ATOM 385 CD1 LEU A 24 -5.257 6.950 -1.151 1.00 0.00 C ATOM 386 CD2 LEU A 24 -3.160 7.223 0.185 1.00 0.00 C ATOM 0 H LEU A 24 -2.547 3.799 -0.723 1.00 0.00 H new ATOM 0 HA LEU A 24 -5.275 3.110 0.077 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -5.301 5.304 0.852 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -3.612 4.869 1.023 1.00 0.00 H new ATOM 0 HG LEU A 24 -3.431 5.854 -1.460 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -4.957 7.782 -1.788 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -5.857 6.248 -1.730 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -5.846 7.327 -0.315 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -2.879 8.061 -0.453 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -3.737 7.591 1.034 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -2.261 6.724 0.546 1.00 0.00 H new ATOM 398 N ARG A 25 -4.778 3.977 -2.969 1.00 0.00 N ATOM 399 CA ARG A 25 -5.507 4.131 -4.266 1.00 0.00 C ATOM 400 C ARG A 25 -6.567 2.996 -4.332 1.00 0.00 C ATOM 401 O ARG A 25 -7.678 3.201 -4.791 1.00 0.00 O ATOM 402 CB ARG A 25 -4.519 3.989 -5.444 1.00 0.00 C ATOM 403 CG ARG A 25 -4.799 5.053 -6.517 1.00 0.00 C ATOM 404 CD ARG A 25 -3.787 6.209 -6.414 1.00 0.00 C ATOM 405 NE ARG A 25 -2.386 5.713 -6.635 1.00 0.00 N ATOM 406 CZ ARG A 25 -2.009 5.257 -7.801 1.00 0.00 C ATOM 407 NH1 ARG A 25 -1.689 6.093 -8.758 1.00 0.00 N ATOM 408 NH2 ARG A 25 -1.931 3.963 -7.997 1.00 0.00 N ATOM 0 H ARG A 25 -3.772 3.837 -3.057 1.00 0.00 H new ATOM 0 HA ARG A 25 -5.979 5.111 -4.331 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -3.496 4.091 -5.082 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -4.605 2.994 -5.880 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -4.743 4.601 -7.507 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -5.812 5.438 -6.399 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -4.027 6.975 -7.151 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -3.861 6.677 -5.432 1.00 0.00 H new ATOM 0 HE ARG A 25 -1.719 5.732 -5.864 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -1.734 7.099 -8.593 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -1.395 5.738 -9.668 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -2.164 3.318 -7.242 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -1.638 3.601 -8.904 1.00 0.00 H new ATOM 422 N LYS A 26 -6.216 1.811 -3.819 1.00 0.00 N ATOM 423 CA LYS A 26 -7.163 0.648 -3.774 1.00 0.00 C ATOM 424 C LYS A 26 -8.008 0.671 -2.467 1.00 0.00 C ATOM 425 O LYS A 26 -9.058 0.061 -2.430 1.00 0.00 O ATOM 426 CB LYS A 26 -6.354 -0.657 -3.831 1.00 0.00 C ATOM 427 CG LYS A 26 -7.216 -1.785 -4.406 1.00 0.00 C ATOM 428 CD LYS A 26 -6.487 -3.119 -4.224 1.00 0.00 C ATOM 429 CE LYS A 26 -7.315 -4.247 -4.842 1.00 0.00 C ATOM 430 NZ LYS A 26 -6.645 -5.558 -4.605 1.00 0.00 N ATOM 0 H LYS A 26 -5.295 1.615 -3.428 1.00 0.00 H new ATOM 0 HA LYS A 26 -7.840 0.714 -4.625 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -5.466 -0.517 -4.447 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -6.010 -0.925 -2.832 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -8.182 -1.813 -3.902 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -7.413 -1.606 -5.463 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -5.505 -3.075 -4.695 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -6.323 -3.313 -3.164 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -8.315 -4.256 -4.408 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -7.434 -4.078 -5.912 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -7.213 -6.320 -5.028 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -5.700 -5.549 -5.040 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -6.554 -5.721 -3.582 1.00 0.00 H new ATOM 444 N LYS A 27 -7.544 1.355 -1.400 1.00 0.00 N ATOM 445 CA LYS A 27 -8.294 1.431 -0.068 1.00 0.00 C ATOM 446 C LYS A 27 -9.822 1.535 -0.268 1.00 0.00 C ATOM 447 O LYS A 27 -10.569 0.784 0.328 1.00 0.00 O ATOM 448 CB LYS A 27 -7.856 2.686 0.720 1.00 0.00 C ATOM 449 CG LYS A 27 -6.766 2.356 1.751 1.00 0.00 C ATOM 450 CD LYS A 27 -6.262 3.618 2.522 1.00 0.00 C ATOM 451 CE LYS A 27 -7.190 4.842 2.409 1.00 0.00 C ATOM 452 NZ LYS A 27 -8.392 4.673 3.286 1.00 0.00 N ATOM 0 H LYS A 27 -6.663 1.869 -1.405 1.00 0.00 H new ATOM 0 HA LYS A 27 -8.056 0.515 0.473 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -7.485 3.440 0.026 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -8.719 3.117 1.228 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -7.155 1.631 2.465 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -5.924 1.884 1.245 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -6.143 3.363 3.575 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -5.275 3.889 2.146 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -6.648 5.744 2.695 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -7.504 4.973 1.373 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -9.182 5.230 2.903 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -8.660 3.669 3.318 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -8.170 5.003 4.247 1.00 0.00 H new ATOM 466 N LEU A 28 -10.278 2.473 -1.092 1.00 0.00 N ATOM 467 CA LEU A 28 -11.758 2.655 -1.335 1.00 0.00 C ATOM 468 C LEU A 28 -12.366 1.383 -1.952 1.00 0.00 C ATOM 469 O LEU A 28 -13.397 0.922 -1.506 1.00 0.00 O ATOM 470 CB LEU A 28 -11.990 3.850 -2.287 1.00 0.00 C ATOM 471 CG LEU A 28 -12.257 5.154 -1.502 1.00 0.00 C ATOM 472 CD1 LEU A 28 -13.550 5.030 -0.688 1.00 0.00 C ATOM 473 CD2 LEU A 28 -11.082 5.465 -0.559 1.00 0.00 C ATOM 0 H LEU A 28 -9.681 3.121 -1.607 1.00 0.00 H new ATOM 0 HA LEU A 28 -12.243 2.849 -0.379 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -11.118 3.981 -2.927 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -12.836 3.637 -2.940 1.00 0.00 H new ATOM 0 HG LEU A 28 -12.362 5.968 -2.219 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -13.725 5.956 -0.140 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -14.387 4.842 -1.361 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -13.459 4.203 0.017 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -11.287 6.387 -0.014 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -10.956 4.645 0.148 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -10.169 5.584 -1.142 1.00 0.00 H new ATOM 485 N GLN A 29 -11.722 0.815 -2.960 1.00 0.00 N ATOM 486 CA GLN A 29 -12.235 -0.442 -3.614 1.00 0.00 C ATOM 487 C GLN A 29 -12.295 -1.591 -2.580 1.00 0.00 C ATOM 488 O GLN A 29 -13.286 -2.299 -2.506 1.00 0.00 O ATOM 489 CB GLN A 29 -11.295 -0.824 -4.776 1.00 0.00 C ATOM 490 CG GLN A 29 -11.816 -2.076 -5.504 1.00 0.00 C ATOM 491 CD GLN A 29 -10.839 -3.239 -5.292 1.00 0.00 C ATOM 492 OE1 GLN A 29 -9.891 -3.386 -6.034 1.00 0.00 O ATOM 493 NE2 GLN A 29 -11.031 -4.081 -4.309 1.00 0.00 N ATOM 0 H GLN A 29 -10.855 1.175 -3.359 1.00 0.00 H new ATOM 0 HA GLN A 29 -13.240 -0.270 -3.999 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -11.219 0.006 -5.478 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -10.292 -1.010 -4.393 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -12.803 -2.344 -5.127 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -11.927 -1.870 -6.569 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -11.827 -3.961 -3.683 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -10.385 -4.857 -4.169 1.00 0.00 H new