USER MOD reduce.3.24.130724 H: found=0, std=0, add=133, rem=0, adj=2 USER MOD reduce.3.24.130724 removed 134 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 X(o=0,f=0) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 SER OG : rot -73:sc= 0.103 USER MOD ----------------------------------------------------------------- ATOM 200 N PHE A 14 -26.428 5.089 -25.220 1.00 0.00 N ATOM 201 CA PHE A 14 -25.789 5.702 -24.021 1.00 0.00 C ATOM 202 C PHE A 14 -24.889 4.714 -23.206 1.00 0.00 C ATOM 203 O PHE A 14 -23.767 5.104 -22.873 1.00 0.00 O ATOM 204 CB PHE A 14 -26.866 6.425 -23.160 1.00 0.00 C ATOM 205 CG PHE A 14 -26.314 7.232 -21.967 1.00 0.00 C ATOM 206 CD1 PHE A 14 -25.843 8.538 -22.148 1.00 0.00 C ATOM 207 CD2 PHE A 14 -26.228 6.642 -20.699 1.00 0.00 C ATOM 208 CE1 PHE A 14 -25.292 9.240 -21.078 1.00 0.00 C ATOM 209 CE2 PHE A 14 -25.677 7.346 -19.632 1.00 0.00 C ATOM 210 CZ PHE A 14 -25.209 8.644 -19.822 1.00 0.00 C ATOM 0 HA PHE A 14 -25.080 6.453 -24.371 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -27.432 7.098 -23.804 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -27.567 5.681 -22.782 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -25.907 9.003 -23.121 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -26.591 5.636 -20.549 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -24.929 10.247 -21.223 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -25.612 6.886 -18.657 1.00 0.00 H new ATOM 0 HZ PHE A 14 -24.781 9.189 -18.994 1.00 0.00 H new ATOM 220 N GLY A 15 -25.340 3.474 -22.909 1.00 0.00 N ATOM 221 CA GLY A 15 -24.473 2.423 -22.294 1.00 0.00 C ATOM 222 C GLY A 15 -23.173 2.053 -23.054 1.00 0.00 C ATOM 223 O GLY A 15 -22.108 1.988 -22.437 1.00 0.00 O ATOM 0 H GLY A 15 -26.298 3.169 -23.082 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -24.198 2.753 -21.292 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -25.068 1.517 -22.179 1.00 0.00 H new ATOM 227 N ASN A 16 -23.261 1.874 -24.385 1.00 0.00 N ATOM 228 CA ASN A 16 -22.080 1.816 -25.296 1.00 0.00 C ATOM 229 C ASN A 16 -21.120 3.054 -25.282 1.00 0.00 C ATOM 230 O ASN A 16 -19.910 2.848 -25.398 1.00 0.00 O ATOM 231 CB ASN A 16 -22.575 1.512 -26.743 1.00 0.00 C ATOM 232 CG ASN A 16 -22.855 0.020 -27.028 1.00 0.00 C ATOM 233 OD1 ASN A 16 -23.968 -0.474 -26.856 1.00 0.00 O ATOM 234 ND2 ASN A 16 -21.852 -0.726 -27.468 1.00 0.00 N ATOM 0 H ASN A 16 -24.152 1.764 -24.870 1.00 0.00 H new ATOM 0 HA ASN A 16 -21.453 1.014 -24.906 1.00 0.00 H new ATOM 0 HB2 ASN A 16 -23.486 2.081 -26.928 1.00 0.00 H new ATOM 0 HB3 ASN A 16 -21.827 1.869 -27.451 1.00 0.00 H new ATOM 0 HD21 ASN A 16 -22.001 -1.715 -27.666 1.00 0.00 H new ATOM 0 HD22 ASN A 16 -20.931 -0.311 -27.609 1.00 0.00 H new ATOM 241 N THR A 17 -21.625 4.301 -25.130 1.00 0.00 N ATOM 242 CA THR A 17 -20.785 5.536 -25.059 1.00 0.00 C ATOM 243 C THR A 17 -19.829 5.553 -23.821 1.00 0.00 C ATOM 244 O THR A 17 -18.613 5.599 -24.028 1.00 0.00 O ATOM 245 CB THR A 17 -21.673 6.814 -25.189 1.00 0.00 C ATOM 246 OG1 THR A 17 -22.428 6.766 -26.397 1.00 0.00 O ATOM 247 CG2 THR A 17 -20.895 8.144 -25.219 1.00 0.00 C ATOM 0 H THR A 17 -22.625 4.487 -25.052 1.00 0.00 H new ATOM 0 HA THR A 17 -20.111 5.532 -25.916 1.00 0.00 H new ATOM 0 HB THR A 17 -22.294 6.801 -24.293 1.00 0.00 H new ATOM 0 HG1 THR A 17 -22.983 7.571 -26.468 1.00 0.00 H new ATOM 0 HG21 THR A 17 -21.596 8.974 -25.311 1.00 0.00 H new ATOM 0 HG22 THR A 17 -20.324 8.252 -24.297 1.00 0.00 H new ATOM 0 HG23 THR A 17 -20.214 8.148 -26.070 1.00 0.00 H new ATOM 255 N LEU A 18 -20.346 5.489 -22.570 1.00 0.00 N ATOM 256 CA LEU A 18 -19.480 5.368 -21.351 1.00 0.00 C ATOM 257 C LEU A 18 -18.828 3.982 -21.024 1.00 0.00 C ATOM 258 O LEU A 18 -18.087 3.873 -20.043 1.00 0.00 O ATOM 259 CB LEU A 18 -20.144 6.060 -20.122 1.00 0.00 C ATOM 260 CG LEU A 18 -21.188 5.274 -19.275 1.00 0.00 C ATOM 261 CD1 LEU A 18 -21.524 6.044 -17.981 1.00 0.00 C ATOM 262 CD2 LEU A 18 -22.488 4.954 -20.032 1.00 0.00 C ATOM 0 H LEU A 18 -21.346 5.518 -22.370 1.00 0.00 H new ATOM 0 HA LEU A 18 -18.583 5.919 -21.633 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -19.344 6.371 -19.450 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -20.630 6.968 -20.480 1.00 0.00 H new ATOM 0 HG LEU A 18 -20.717 4.320 -19.038 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -22.255 5.480 -17.401 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -20.617 6.177 -17.391 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -21.937 7.020 -18.235 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -23.165 4.406 -19.377 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -22.963 5.883 -20.349 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -22.259 4.346 -20.907 1.00 0.00 H new ATOM 274 N GLU A 19 -19.040 2.965 -21.876 1.00 0.00 N ATOM 275 CA GLU A 19 -18.216 1.729 -21.912 1.00 0.00 C ATOM 276 C GLU A 19 -16.837 1.974 -22.598 1.00 0.00 C ATOM 277 O GLU A 19 -15.810 1.734 -21.958 1.00 0.00 O ATOM 278 CB GLU A 19 -19.034 0.562 -22.527 1.00 0.00 C ATOM 279 CG GLU A 19 -18.362 -0.832 -22.552 1.00 0.00 C ATOM 280 CD GLU A 19 -18.089 -1.431 -21.168 1.00 0.00 C ATOM 281 OE1 GLU A 19 -18.975 -2.127 -20.624 1.00 0.00 O ATOM 282 OE2 GLU A 19 -16.988 -1.206 -20.617 1.00 0.00 O ATOM 0 H GLU A 19 -19.791 2.970 -22.566 1.00 0.00 H new ATOM 0 HA GLU A 19 -17.968 1.431 -20.893 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -19.970 0.477 -21.975 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -19.292 0.832 -23.551 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -18.998 -1.518 -23.112 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -17.419 -0.757 -23.094 1.00 0.00 H new ATOM 289 N ASP A 20 -16.810 2.472 -23.857 1.00 0.00 N ATOM 290 CA ASP A 20 -15.551 2.890 -24.542 1.00 0.00 C ATOM 291 C ASP A 20 -14.727 4.012 -23.838 1.00 0.00 C ATOM 292 O ASP A 20 -13.505 3.877 -23.728 1.00 0.00 O ATOM 293 CB ASP A 20 -15.798 3.174 -26.050 1.00 0.00 C ATOM 294 CG ASP A 20 -16.631 4.412 -26.439 1.00 0.00 C ATOM 295 OD1 ASP A 20 -16.082 5.537 -26.440 1.00 0.00 O ATOM 296 OD2 ASP A 20 -17.830 4.260 -26.758 1.00 0.00 O ATOM 0 H ASP A 20 -17.647 2.597 -24.426 1.00 0.00 H new ATOM 0 HA ASP A 20 -14.892 2.026 -24.458 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -14.825 3.263 -26.534 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -16.287 2.298 -26.476 1.00 0.00 H new ATOM 301 N LYS A 21 -15.390 5.074 -23.336 1.00 0.00 N ATOM 302 CA LYS A 21 -14.755 6.129 -22.509 1.00 0.00 C ATOM 303 C LYS A 21 -14.076 5.616 -21.202 1.00 0.00 C ATOM 304 O LYS A 21 -12.895 5.905 -21.010 1.00 0.00 O ATOM 305 CB LYS A 21 -15.801 7.250 -22.240 1.00 0.00 C ATOM 306 CG LYS A 21 -15.219 8.601 -21.765 1.00 0.00 C ATOM 307 CD LYS A 21 -14.386 9.364 -22.815 1.00 0.00 C ATOM 308 CE LYS A 21 -15.219 10.029 -23.926 1.00 0.00 C ATOM 309 NZ LYS A 21 -14.364 10.762 -24.876 1.00 0.00 N ATOM 0 H LYS A 21 -16.386 5.228 -23.492 1.00 0.00 H new ATOM 0 HA LYS A 21 -13.918 6.532 -23.080 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -16.369 7.420 -23.155 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -16.506 6.893 -21.489 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -16.042 9.240 -21.444 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -14.594 8.421 -20.890 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -13.800 10.131 -22.309 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -13.679 8.672 -23.273 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -15.789 9.268 -24.460 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -15.941 10.714 -23.481 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -14.956 11.198 -25.611 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -13.839 11.503 -24.370 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -13.692 10.103 -25.318 1.00 0.00 H new ATOM 323 N ALA A 22 -14.782 4.844 -20.347 1.00 0.00 N ATOM 324 CA ALA A 22 -14.186 4.200 -19.142 1.00 0.00 C ATOM 325 C ALA A 22 -12.967 3.263 -19.399 1.00 0.00 C ATOM 326 O ALA A 22 -11.938 3.433 -18.743 1.00 0.00 O ATOM 327 CB ALA A 22 -15.297 3.459 -18.379 1.00 0.00 C ATOM 0 H ALA A 22 -15.776 4.647 -20.466 1.00 0.00 H new ATOM 0 HA ALA A 22 -13.763 5.010 -18.548 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -14.875 2.982 -17.494 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -16.067 4.169 -18.077 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -15.738 2.699 -19.025 1.00 0.00 H new ATOM 333 N ARG A 23 -13.065 2.337 -20.374 1.00 0.00 N ATOM 334 CA ARG A 23 -11.923 1.518 -20.884 1.00 0.00 C ATOM 335 C ARG A 23 -10.676 2.326 -21.377 1.00 0.00 C ATOM 336 O ARG A 23 -9.552 1.957 -21.030 1.00 0.00 O ATOM 337 CB ARG A 23 -12.439 0.579 -22.011 1.00 0.00 C ATOM 338 CG ARG A 23 -13.389 -0.559 -21.556 1.00 0.00 C ATOM 339 CD ARG A 23 -14.145 -1.265 -22.699 1.00 0.00 C ATOM 340 NE ARG A 23 -13.256 -2.038 -23.602 1.00 0.00 N ATOM 341 CZ ARG A 23 -13.668 -2.650 -24.731 1.00 0.00 C ATOM 342 NH1 ARG A 23 -14.926 -2.638 -25.168 1.00 0.00 N ATOM 343 NH2 ARG A 23 -12.769 -3.300 -25.446 1.00 0.00 N ATOM 0 H ARG A 23 -13.947 2.127 -20.842 1.00 0.00 H new ATOM 0 HA ARG A 23 -11.556 0.953 -20.027 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -12.957 1.185 -22.754 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -11.578 0.132 -22.508 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -12.808 -1.302 -21.010 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -14.117 -0.148 -20.857 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -14.890 -1.936 -22.272 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -14.685 -0.520 -23.283 1.00 0.00 H new ATOM 0 HE ARG A 23 -12.270 -2.111 -23.353 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -15.645 -2.145 -24.639 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -15.170 -3.122 -26.032 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -11.797 -3.328 -25.139 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -13.047 -3.774 -26.305 1.00 0.00 H new ATOM 357 N GLU A 24 -10.872 3.426 -22.140 1.00 0.00 N ATOM 358 CA GLU A 24 -9.791 4.394 -22.484 1.00 0.00 C ATOM 359 C GLU A 24 -9.159 5.158 -21.274 1.00 0.00 C ATOM 360 O GLU A 24 -7.942 5.367 -21.288 1.00 0.00 O ATOM 361 CB GLU A 24 -10.329 5.361 -23.583 1.00 0.00 C ATOM 362 CG GLU A 24 -9.305 6.321 -24.234 1.00 0.00 C ATOM 363 CD GLU A 24 -8.159 5.626 -24.979 1.00 0.00 C ATOM 364 OE1 GLU A 24 -8.333 5.277 -26.167 1.00 0.00 O ATOM 365 OE2 GLU A 24 -7.082 5.424 -24.377 1.00 0.00 O ATOM 0 H GLU A 24 -11.779 3.672 -22.536 1.00 0.00 H new ATOM 0 HA GLU A 24 -8.950 3.814 -22.862 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -10.780 4.760 -24.373 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -11.126 5.962 -23.145 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -9.831 6.973 -24.931 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -8.882 6.959 -23.458 1.00 0.00 H new ATOM 372 N LEU A 25 -9.940 5.538 -20.237 1.00 0.00 N ATOM 373 CA LEU A 25 -9.392 6.070 -18.954 1.00 0.00 C ATOM 374 C LEU A 25 -8.466 5.075 -18.175 1.00 0.00 C ATOM 375 O LEU A 25 -7.448 5.518 -17.641 1.00 0.00 O ATOM 376 CB LEU A 25 -10.519 6.614 -18.029 1.00 0.00 C ATOM 377 CG LEU A 25 -11.390 7.793 -18.560 1.00 0.00 C ATOM 378 CD1 LEU A 25 -12.570 8.068 -17.608 1.00 0.00 C ATOM 379 CD2 LEU A 25 -10.599 9.093 -18.805 1.00 0.00 C ATOM 0 H LEU A 25 -10.959 5.488 -20.258 1.00 0.00 H new ATOM 0 HA LEU A 25 -8.748 6.897 -19.253 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -11.186 5.785 -17.791 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -10.060 6.932 -17.093 1.00 0.00 H new ATOM 0 HG LEU A 25 -11.762 7.470 -19.532 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -13.166 8.894 -17.996 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -13.192 7.176 -17.533 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -12.188 8.329 -16.621 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -11.274 9.866 -19.173 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -10.144 9.424 -17.871 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -9.819 8.910 -19.544 1.00 0.00 H new ATOM 391 N ILE A 26 -8.762 3.755 -18.150 1.00 0.00 N ATOM 392 CA ILE A 26 -7.821 2.710 -17.633 1.00 0.00 C ATOM 393 C ILE A 26 -6.519 2.623 -18.502 1.00 0.00 C ATOM 394 O ILE A 26 -5.431 2.725 -17.931 1.00 0.00 O ATOM 395 CB ILE A 26 -8.505 1.299 -17.448 1.00 0.00 C ATOM 396 CG1 ILE A 26 -9.972 1.253 -16.921 1.00 0.00 C ATOM 397 CG2 ILE A 26 -7.633 0.337 -16.604 1.00 0.00 C ATOM 398 CD1 ILE A 26 -10.279 1.985 -15.605 1.00 0.00 C ATOM 0 H ILE A 26 -9.649 3.377 -18.482 1.00 0.00 H new ATOM 0 HA ILE A 26 -7.526 3.031 -16.634 1.00 0.00 H new ATOM 0 HB ILE A 26 -8.580 0.970 -18.484 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -10.620 1.666 -17.694 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -10.252 0.207 -16.797 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -8.142 -0.621 -16.502 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -6.673 0.187 -17.099 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -7.469 0.767 -15.616 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -11.335 1.868 -15.362 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -9.673 1.562 -14.804 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -10.047 3.044 -15.715 1.00 0.00 H new ATOM 410 N SER A 27 -6.624 2.479 -19.847 1.00 0.00 N ATOM 411 CA SER A 27 -5.460 2.537 -20.778 1.00 0.00 C ATOM 412 C SER A 27 -5.001 3.989 -21.157 1.00 0.00 C ATOM 413 O SER A 27 -4.940 4.373 -22.328 1.00 0.00 O ATOM 414 CB SER A 27 -5.781 1.643 -22.000 1.00 0.00 C ATOM 415 OG SER A 27 -6.876 2.144 -22.764 1.00 0.00 O ATOM 0 H SER A 27 -7.514 2.320 -20.319 1.00 0.00 H new ATOM 0 HA SER A 27 -4.582 2.147 -20.264 1.00 0.00 H new ATOM 0 HB2 SER A 27 -4.899 1.571 -22.637 1.00 0.00 H new ATOM 0 HB3 SER A 27 -6.011 0.634 -21.659 1.00 0.00 H new ATOM 0 HG SER A 27 -7.711 1.998 -22.273 1.00 0.00 H new ATOM 421 N ARG A 28 -4.643 4.763 -20.119 1.00 0.00 N ATOM 422 CA ARG A 28 -4.040 6.126 -20.201 1.00 0.00 C ATOM 423 C ARG A 28 -3.479 6.536 -18.797 1.00 0.00 C ATOM 424 O ARG A 28 -2.362 7.051 -18.730 1.00 0.00 O ATOM 425 CB ARG A 28 -4.880 7.227 -20.923 1.00 0.00 C ATOM 426 CG ARG A 28 -6.069 7.895 -20.190 1.00 0.00 C ATOM 427 CD ARG A 28 -5.698 9.213 -19.485 1.00 0.00 C ATOM 428 NE ARG A 28 -6.869 9.812 -18.801 1.00 0.00 N ATOM 429 CZ ARG A 28 -6.813 10.919 -18.034 1.00 0.00 C ATOM 430 NH1 ARG A 28 -5.697 11.608 -17.798 1.00 0.00 N ATOM 431 NH2 ARG A 28 -7.931 11.349 -17.479 1.00 0.00 N ATOM 0 H ARG A 28 -4.766 4.454 -19.155 1.00 0.00 H new ATOM 0 HA ARG A 28 -3.206 6.049 -20.899 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -4.192 8.020 -21.216 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -5.270 6.788 -21.841 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -6.865 8.089 -20.909 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -6.468 7.198 -19.453 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -4.907 9.028 -18.759 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -5.302 9.918 -20.215 1.00 0.00 H new ATOM 0 HE ARG A 28 -7.775 9.358 -18.918 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -4.814 11.305 -18.209 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -5.726 12.439 -17.207 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -8.805 10.846 -17.636 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -7.921 12.184 -16.893 1.00 0.00 H new ATOM 445 N ILE A 29 -4.200 6.260 -17.678 1.00 0.00 N ATOM 446 CA ILE A 29 -3.637 6.148 -16.302 1.00 0.00 C ATOM 447 C ILE A 29 -2.401 5.192 -16.221 1.00 0.00 C ATOM 448 O ILE A 29 -1.321 5.661 -15.855 1.00 0.00 O ATOM 449 CB ILE A 29 -4.835 5.845 -15.313 1.00 0.00 C ATOM 450 CG1 ILE A 29 -5.518 7.134 -14.772 1.00 0.00 C ATOM 451 CG2 ILE A 29 -4.497 4.960 -14.082 1.00 0.00 C ATOM 452 CD1 ILE A 29 -6.136 8.086 -15.800 1.00 0.00 C ATOM 0 H ILE A 29 -5.208 6.106 -17.706 1.00 0.00 H new ATOM 0 HA ILE A 29 -3.191 7.090 -15.983 1.00 0.00 H new ATOM 0 HB ILE A 29 -5.507 5.280 -15.959 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -6.302 6.834 -14.076 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -4.778 7.692 -14.198 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -5.393 4.820 -13.477 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -4.133 3.990 -14.420 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -3.728 5.448 -13.483 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -6.576 8.940 -15.286 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -5.363 8.434 -16.485 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -6.910 7.562 -16.362 1.00 0.00 H new