USER MOD reduce.3.24.130724 H: found=0, std=0, add=136, rem=0, adj=4 USER MOD reduce.3.24.130724 removed 137 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 17 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 19 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 ASN : amide:sc= 0 X(o=0,f=-0.076) USER MOD Single : A 30 MET CE :methyl -132:sc= 0 (180deg=-0.132) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 228 N MET A 17 2.192 4.137 2.525 1.00 1.00 N ATOM 229 CA MET A 17 1.163 3.648 1.602 1.00 1.00 C ATOM 230 C MET A 17 1.523 2.281 0.997 1.00 1.00 C ATOM 231 O MET A 17 0.628 1.529 0.613 1.00 1.00 O ATOM 232 CB MET A 17 0.928 4.682 0.494 1.00 1.00 C ATOM 233 CG MET A 17 -0.356 4.383 -0.297 1.00 1.00 C ATOM 234 SD MET A 17 -0.129 4.343 -2.094 1.00 1.00 S ATOM 235 CE MET A 17 -1.204 5.725 -2.548 1.00 1.00 C ATOM 0 HA MET A 17 0.245 3.509 2.173 1.00 1.00 H new ATOM 0 HB2 MET A 17 0.862 5.678 0.933 1.00 1.00 H new ATOM 0 HB3 MET A 17 1.781 4.689 -0.185 1.00 1.00 H new ATOM 0 HG2 MET A 17 -0.755 3.422 0.029 1.00 1.00 H new ATOM 0 HG3 MET A 17 -1.104 5.138 -0.053 1.00 1.00 H new ATOM 0 HE1 MET A 17 -1.192 5.855 -3.630 1.00 1.00 H new ATOM 0 HE2 MET A 17 -2.222 5.518 -2.218 1.00 1.00 H new ATOM 0 HE3 MET A 17 -0.846 6.637 -2.069 1.00 1.00 H new ATOM 245 N ALA A 18 2.813 1.917 0.994 1.00 1.00 N ATOM 246 CA ALA A 18 3.302 0.596 0.605 1.00 1.00 C ATOM 247 C ALA A 18 2.579 -0.542 1.349 1.00 1.00 C ATOM 248 O ALA A 18 2.374 -1.606 0.772 1.00 1.00 O ATOM 249 CB ALA A 18 4.826 0.531 0.820 1.00 1.00 C ATOM 0 H ALA A 18 3.561 2.553 1.270 1.00 1.00 H new ATOM 0 HA ALA A 18 3.082 0.450 -0.452 1.00 1.00 H new ATOM 0 HB1 ALA A 18 5.193 -0.454 0.530 1.00 1.00 H new ATOM 0 HB2 ALA A 18 5.312 1.293 0.211 1.00 1.00 H new ATOM 0 HB3 ALA A 18 5.053 0.708 1.871 1.00 1.00 H new ATOM 255 N GLN A 19 2.153 -0.312 2.599 1.00 1.00 N ATOM 256 CA GLN A 19 1.419 -1.280 3.414 1.00 1.00 C ATOM 257 C GLN A 19 -0.034 -1.440 2.942 1.00 1.00 C ATOM 258 O GLN A 19 -0.442 -2.533 2.562 1.00 1.00 O ATOM 259 CB GLN A 19 1.507 -0.855 4.893 1.00 1.00 C ATOM 260 CG GLN A 19 2.133 -1.936 5.788 1.00 1.00 C ATOM 261 CD GLN A 19 1.078 -2.777 6.498 1.00 1.00 C ATOM 262 OE1 GLN A 19 0.772 -3.898 6.119 1.00 1.00 O ATOM 263 NE2 GLN A 19 0.497 -2.249 7.559 1.00 1.00 N ATOM 0 H GLN A 19 2.315 0.573 3.079 1.00 1.00 H new ATOM 0 HA GLN A 19 1.876 -2.263 3.302 1.00 1.00 H new ATOM 0 HB2 GLN A 19 2.096 0.059 4.969 1.00 1.00 H new ATOM 0 HB3 GLN A 19 0.507 -0.621 5.259 1.00 1.00 H new ATOM 0 HG2 GLN A 19 2.766 -2.585 5.183 1.00 1.00 H new ATOM 0 HG3 GLN A 19 2.778 -1.463 6.529 1.00 1.00 H new ATOM 0 HE21 GLN A 19 0.757 -1.313 7.870 1.00 1.00 H new ATOM 0 HE22 GLN A 19 -0.212 -2.777 8.068 1.00 1.00 H new ATOM 272 N TYR A 20 -0.809 -0.349 2.929 1.00 1.00 N ATOM 273 CA TYR A 20 -2.185 -0.326 2.415 1.00 1.00 C ATOM 274 C TYR A 20 -2.270 -0.837 0.968 1.00 1.00 C ATOM 275 O TYR A 20 -3.135 -1.649 0.640 1.00 1.00 O ATOM 276 CB TYR A 20 -2.742 1.104 2.520 1.00 1.00 C ATOM 277 CG TYR A 20 -3.697 1.331 3.678 1.00 1.00 C ATOM 278 CD1 TYR A 20 -3.273 1.128 5.007 1.00 1.00 C ATOM 279 CD2 TYR A 20 -5.015 1.760 3.419 1.00 1.00 C ATOM 280 CE1 TYR A 20 -4.164 1.352 6.073 1.00 1.00 C ATOM 281 CE2 TYR A 20 -5.913 1.977 4.483 1.00 1.00 C ATOM 282 CZ TYR A 20 -5.486 1.767 5.813 1.00 1.00 C ATOM 283 OH TYR A 20 -6.344 1.929 6.855 1.00 1.00 O ATOM 0 H TYR A 20 -0.494 0.556 3.280 1.00 1.00 H new ATOM 0 HA TYR A 20 -2.788 -1.001 3.023 1.00 1.00 H new ATOM 0 HB2 TYR A 20 -1.907 1.798 2.614 1.00 1.00 H new ATOM 0 HB3 TYR A 20 -3.256 1.348 1.590 1.00 1.00 H new ATOM 0 HD1 TYR A 20 -2.264 0.800 5.207 1.00 1.00 H new ATOM 0 HD2 TYR A 20 -5.337 1.923 2.401 1.00 1.00 H new ATOM 0 HE1 TYR A 20 -3.835 1.206 7.091 1.00 1.00 H new ATOM 0 HE2 TYR A 20 -6.923 2.302 4.283 1.00 1.00 H new ATOM 0 HH TYR A 20 -7.217 2.219 6.518 1.00 1.00 H new ATOM 293 N ALA A 21 -1.347 -0.419 0.098 1.00 1.00 N ATOM 294 CA ALA A 21 -1.265 -0.918 -1.271 1.00 1.00 C ATOM 295 C ALA A 21 -1.032 -2.443 -1.321 1.00 1.00 C ATOM 296 O ALA A 21 -1.628 -3.134 -2.152 1.00 1.00 O ATOM 297 CB ALA A 21 -0.162 -0.137 -1.992 1.00 1.00 C ATOM 0 H ALA A 21 -0.636 0.276 0.326 1.00 1.00 H new ATOM 0 HA ALA A 21 -2.216 -0.759 -1.779 1.00 1.00 H new ATOM 0 HB1 ALA A 21 -0.079 -0.490 -3.020 1.00 1.00 H new ATOM 0 HB2 ALA A 21 -0.408 0.925 -1.992 1.00 1.00 H new ATOM 0 HB3 ALA A 21 0.787 -0.289 -1.478 1.00 1.00 H new ATOM 303 N ALA A 22 -0.237 -2.985 -0.385 1.00 1.00 N ATOM 304 CA ALA A 22 -0.039 -4.426 -0.222 1.00 1.00 C ATOM 305 C ALA A 22 -1.288 -5.168 0.283 1.00 1.00 C ATOM 306 O ALA A 22 -1.308 -6.398 0.210 1.00 1.00 O ATOM 307 CB ALA A 22 1.128 -4.696 0.736 1.00 1.00 C ATOM 0 H ALA A 22 0.290 -2.425 0.285 1.00 1.00 H new ATOM 0 HA ALA A 22 0.182 -4.812 -1.217 1.00 1.00 H new ATOM 0 HB1 ALA A 22 1.265 -5.771 0.849 1.00 1.00 H new ATOM 0 HB2 ALA A 22 2.039 -4.255 0.333 1.00 1.00 H new ATOM 0 HB3 ALA A 22 0.910 -4.254 1.708 1.00 1.00 H new ATOM 313 N GLU A 23 -2.310 -4.461 0.789 1.00 1.00 N ATOM 314 CA GLU A 23 -3.641 -4.996 1.090 1.00 1.00 C ATOM 315 C GLU A 23 -4.501 -5.039 -0.184 1.00 1.00 C ATOM 316 O GLU A 23 -5.092 -6.075 -0.492 1.00 1.00 O ATOM 317 CB GLU A 23 -4.331 -4.151 2.175 1.00 1.00 C ATOM 318 CG GLU A 23 -5.523 -4.883 2.809 1.00 1.00 C ATOM 319 CD GLU A 23 -6.617 -3.897 3.243 1.00 1.00 C ATOM 320 OE1 GLU A 23 -6.337 -3.107 4.176 1.00 1.00 O ATOM 321 OE2 GLU A 23 -7.713 -3.945 2.635 1.00 1.00 O ATOM 0 H GLU A 23 -2.227 -3.468 1.006 1.00 1.00 H new ATOM 0 HA GLU A 23 -3.527 -6.012 1.467 1.00 1.00 H new ATOM 0 HB2 GLU A 23 -3.608 -3.898 2.950 1.00 1.00 H new ATOM 0 HB3 GLU A 23 -4.673 -3.212 1.739 1.00 1.00 H new ATOM 0 HG2 GLU A 23 -5.936 -5.596 2.095 1.00 1.00 H new ATOM 0 HG3 GLU A 23 -5.183 -5.456 3.672 1.00 1.00 H new ATOM 328 N LEU A 24 -4.531 -3.945 -0.964 1.00 1.00 N ATOM 329 CA LEU A 24 -5.311 -3.861 -2.205 1.00 1.00 C ATOM 330 C LEU A 24 -4.936 -4.948 -3.214 1.00 1.00 C ATOM 331 O LEU A 24 -5.827 -5.536 -3.825 1.00 1.00 O ATOM 332 CB LEU A 24 -5.179 -2.472 -2.858 1.00 1.00 C ATOM 333 CG LEU A 24 -6.317 -1.495 -2.512 1.00 1.00 C ATOM 334 CD1 LEU A 24 -7.681 -1.984 -3.034 1.00 1.00 C ATOM 335 CD2 LEU A 24 -6.382 -1.203 -1.010 1.00 1.00 C ATOM 0 H LEU A 24 -4.013 -3.093 -0.749 1.00 1.00 H new ATOM 0 HA LEU A 24 -6.350 -4.022 -1.918 1.00 1.00 H new ATOM 0 HB2 LEU A 24 -4.231 -2.029 -2.552 1.00 1.00 H new ATOM 0 HB3 LEU A 24 -5.139 -2.595 -3.940 1.00 1.00 H new ATOM 0 HG LEU A 24 -6.085 -0.561 -3.024 1.00 1.00 H new ATOM 0 HD11 LEU A 24 -8.453 -1.263 -2.766 1.00 1.00 H new ATOM 0 HD12 LEU A 24 -7.640 -2.086 -4.118 1.00 1.00 H new ATOM 0 HD13 LEU A 24 -7.916 -2.950 -2.587 1.00 1.00 H new ATOM 0 HD21 LEU A 24 -7.199 -0.509 -0.809 1.00 1.00 H new ATOM 0 HD22 LEU A 24 -6.553 -2.132 -0.466 1.00 1.00 H new ATOM 0 HD23 LEU A 24 -5.441 -0.760 -0.685 1.00 1.00 H new ATOM 347 N ARG A 25 -3.639 -5.266 -3.351 1.00 1.00 N ATOM 348 CA ARG A 25 -3.168 -6.418 -4.138 1.00 1.00 C ATOM 349 C ARG A 25 -3.907 -7.709 -3.770 1.00 1.00 C ATOM 350 O ARG A 25 -4.283 -8.481 -4.653 1.00 1.00 O ATOM 351 CB ARG A 25 -1.642 -6.547 -3.970 1.00 1.00 C ATOM 352 CG ARG A 25 -1.040 -7.885 -4.450 1.00 1.00 C ATOM 353 CD ARG A 25 -0.874 -8.881 -3.289 1.00 1.00 C ATOM 354 NE ARG A 25 -0.052 -10.046 -3.667 1.00 1.00 N ATOM 355 CZ ARG A 25 0.706 -10.782 -2.856 1.00 1.00 C ATOM 356 NH1 ARG A 25 0.748 -10.553 -1.562 1.00 1.00 N ATOM 357 NH2 ARG A 25 1.437 -11.761 -3.342 1.00 1.00 N ATOM 0 H ARG A 25 -2.886 -4.731 -2.919 1.00 1.00 H new ATOM 0 HA ARG A 25 -3.392 -6.247 -5.191 1.00 1.00 H new ATOM 0 HB2 ARG A 25 -1.162 -5.734 -4.516 1.00 1.00 H new ATOM 0 HB3 ARG A 25 -1.396 -6.413 -2.917 1.00 1.00 H new ATOM 0 HG2 ARG A 25 -1.683 -8.321 -5.214 1.00 1.00 H new ATOM 0 HG3 ARG A 25 -0.071 -7.703 -4.915 1.00 1.00 H new ATOM 0 HD2 ARG A 25 -0.414 -8.374 -2.441 1.00 1.00 H new ATOM 0 HD3 ARG A 25 -1.856 -9.222 -2.962 1.00 1.00 H new ATOM 0 HE ARG A 25 -0.065 -10.316 -4.651 1.00 1.00 H new ATOM 0 HH11 ARG A 25 0.192 -9.798 -1.159 1.00 1.00 H new ATOM 0 HH12 ARG A 25 1.336 -11.130 -0.961 1.00 1.00 H new ATOM 0 HH21 ARG A 25 1.425 -11.959 -4.343 1.00 1.00 H new ATOM 0 HH22 ARG A 25 2.016 -12.323 -2.718 1.00 1.00 H new ATOM 371 N ARG A 26 -4.107 -7.945 -2.469 1.00 1.00 N ATOM 372 CA ARG A 26 -4.791 -9.135 -1.949 1.00 1.00 C ATOM 373 C ARG A 26 -6.282 -9.017 -2.214 1.00 1.00 C ATOM 374 O ARG A 26 -6.872 -9.948 -2.756 1.00 1.00 O ATOM 375 CB ARG A 26 -4.523 -9.366 -0.450 1.00 1.00 C ATOM 376 CG ARG A 26 -3.171 -8.820 0.013 1.00 1.00 C ATOM 377 CD ARG A 26 -2.705 -9.441 1.322 1.00 1.00 C ATOM 378 NE ARG A 26 -1.671 -8.602 1.948 1.00 1.00 N ATOM 379 CZ ARG A 26 -1.234 -8.717 3.196 1.00 1.00 C ATOM 380 NH1 ARG A 26 -1.683 -9.659 3.996 1.00 1.00 N ATOM 381 NH2 ARG A 26 -0.340 -7.881 3.665 1.00 1.00 N ATOM 0 H ARG A 26 -3.794 -7.307 -1.737 1.00 1.00 H new ATOM 0 HA ARG A 26 -4.389 -10.003 -2.472 1.00 1.00 H new ATOM 0 HB2 ARG A 26 -5.316 -8.895 0.131 1.00 1.00 H new ATOM 0 HB3 ARG A 26 -4.567 -10.435 -0.240 1.00 1.00 H new ATOM 0 HG2 ARG A 26 -2.425 -9.007 -0.759 1.00 1.00 H new ATOM 0 HG3 ARG A 26 -3.242 -7.739 0.133 1.00 1.00 H new ATOM 0 HD2 ARG A 26 -3.551 -9.553 2.000 1.00 1.00 H new ATOM 0 HD3 ARG A 26 -2.309 -10.440 1.138 1.00 1.00 H new ATOM 0 HE ARG A 26 -1.254 -7.869 1.374 1.00 1.00 H new ATOM 0 HH11 ARG A 26 -2.382 -10.322 3.661 1.00 1.00 H new ATOM 0 HH12 ARG A 26 -1.332 -9.727 4.951 1.00 1.00 H new ATOM 0 HH21 ARG A 26 0.024 -7.137 3.070 1.00 1.00 H new ATOM 0 HH22 ARG A 26 -0.008 -7.975 4.625 1.00 1.00 H new ATOM 395 N TYR A 27 -6.854 -7.846 -1.904 1.00 1.00 N ATOM 396 CA TYR A 27 -8.248 -7.498 -2.163 1.00 1.00 C ATOM 397 C TYR A 27 -8.626 -7.796 -3.618 1.00 1.00 C ATOM 398 O TYR A 27 -9.631 -8.447 -3.857 1.00 1.00 O ATOM 399 CB TYR A 27 -8.510 -6.024 -1.808 1.00 1.00 C ATOM 400 CG TYR A 27 -9.903 -5.745 -1.267 1.00 1.00 C ATOM 401 CD1 TYR A 27 -11.056 -6.121 -1.989 1.00 1.00 C ATOM 402 CD2 TYR A 27 -10.042 -5.113 -0.014 1.00 1.00 C ATOM 403 CE1 TYR A 27 -12.336 -5.899 -1.450 1.00 1.00 C ATOM 404 CE2 TYR A 27 -11.322 -4.881 0.526 1.00 1.00 C ATOM 405 CZ TYR A 27 -12.471 -5.286 -0.188 1.00 1.00 C ATOM 406 OH TYR A 27 -13.710 -5.107 0.345 1.00 1.00 O ATOM 0 H TYR A 27 -6.337 -7.093 -1.451 1.00 1.00 H new ATOM 0 HA TYR A 27 -8.881 -8.116 -1.526 1.00 1.00 H new ATOM 0 HB2 TYR A 27 -7.776 -5.705 -1.068 1.00 1.00 H new ATOM 0 HB3 TYR A 27 -8.351 -5.415 -2.698 1.00 1.00 H new ATOM 0 HD1 TYR A 27 -10.955 -6.582 -2.961 1.00 1.00 H new ATOM 0 HD2 TYR A 27 -9.163 -4.806 0.534 1.00 1.00 H new ATOM 0 HE1 TYR A 27 -13.215 -6.198 -2.003 1.00 1.00 H new ATOM 0 HE2 TYR A 27 -11.425 -4.394 1.485 1.00 1.00 H new ATOM 0 HH TYR A 27 -13.630 -4.672 1.219 1.00 1.00 H new ATOM 416 N ILE A 28 -7.800 -7.386 -4.588 1.00 1.00 N ATOM 417 CA ILE A 28 -7.986 -7.664 -6.017 1.00 1.00 C ATOM 418 C ILE A 28 -8.167 -9.162 -6.276 1.00 1.00 C ATOM 419 O ILE A 28 -9.203 -9.561 -6.816 1.00 1.00 O ATOM 420 CB ILE A 28 -6.818 -7.053 -6.829 1.00 1.00 C ATOM 421 CG1 ILE A 28 -7.028 -5.527 -6.944 1.00 1.00 C ATOM 422 CG2 ILE A 28 -6.621 -7.714 -8.216 1.00 1.00 C ATOM 423 CD1 ILE A 28 -5.770 -4.785 -7.416 1.00 1.00 C ATOM 0 H ILE A 28 -6.962 -6.837 -4.396 1.00 1.00 H new ATOM 0 HA ILE A 28 -8.907 -7.188 -6.355 1.00 1.00 H new ATOM 0 HB ILE A 28 -5.893 -7.255 -6.289 1.00 1.00 H new ATOM 0 HG12 ILE A 28 -7.843 -5.329 -7.640 1.00 1.00 H new ATOM 0 HG13 ILE A 28 -7.334 -5.133 -5.975 1.00 1.00 H new ATOM 0 HG21 ILE A 28 -5.787 -7.238 -8.731 1.00 1.00 H new ATOM 0 HG22 ILE A 28 -6.409 -8.775 -8.086 1.00 1.00 H new ATOM 0 HG23 ILE A 28 -7.528 -7.595 -8.808 1.00 1.00 H new ATOM 0 HD11 ILE A 28 -5.979 -3.717 -7.478 1.00 1.00 H new ATOM 0 HD12 ILE A 28 -4.959 -4.956 -6.708 1.00 1.00 H new ATOM 0 HD13 ILE A 28 -5.477 -5.154 -8.399 1.00 1.00 H new ATOM 435 N ASN A 29 -7.176 -9.984 -5.903 1.00 1.00 N ATOM 436 CA ASN A 29 -7.249 -11.437 -6.071 1.00 1.00 C ATOM 437 C ASN A 29 -8.424 -12.055 -5.282 1.00 1.00 C ATOM 438 O ASN A 29 -8.971 -13.075 -5.693 1.00 1.00 O ATOM 439 CB ASN A 29 -5.891 -12.043 -5.675 1.00 1.00 C ATOM 440 CG ASN A 29 -5.711 -13.461 -6.206 1.00 1.00 C ATOM 441 OD1 ASN A 29 -5.838 -13.722 -7.392 1.00 1.00 O ATOM 442 ND2 ASN A 29 -5.360 -14.407 -5.358 1.00 1.00 N ATOM 0 H ASN A 29 -6.307 -9.660 -5.479 1.00 1.00 H new ATOM 0 HA ASN A 29 -7.452 -11.672 -7.116 1.00 1.00 H new ATOM 0 HB2 ASN A 29 -5.089 -11.411 -6.056 1.00 1.00 H new ATOM 0 HB3 ASN A 29 -5.802 -12.051 -4.589 1.00 1.00 H new ATOM 0 HD21 ASN A 29 -5.195 -15.356 -5.693 1.00 1.00 H new ATOM 0 HD22 ASN A 29 -5.254 -14.190 -4.367 1.00 1.00 H new ATOM 449 N MET A 30 -8.851 -11.400 -4.194 1.00 1.00 N ATOM 450 CA MET A 30 -10.019 -11.735 -3.374 1.00 1.00 C ATOM 451 C MET A 30 -11.365 -11.224 -3.917 1.00 1.00 C ATOM 452 O MET A 30 -12.408 -11.628 -3.409 1.00 1.00 O ATOM 453 CB MET A 30 -9.806 -11.196 -1.951 1.00 1.00 C ATOM 454 CG MET A 30 -8.965 -12.155 -1.104 1.00 1.00 C ATOM 455 SD MET A 30 -9.257 -11.994 0.675 1.00 1.00 S ATOM 456 CE MET A 30 -10.865 -12.835 0.773 1.00 1.00 C ATOM 0 H MET A 30 -8.362 -10.576 -3.844 1.00 1.00 H new ATOM 0 HA MET A 30 -10.091 -12.822 -3.391 1.00 1.00 H new ATOM 0 HB2 MET A 30 -9.313 -10.225 -1.999 1.00 1.00 H new ATOM 0 HB3 MET A 30 -10.773 -11.039 -1.472 1.00 1.00 H new ATOM 0 HG2 MET A 30 -9.180 -13.179 -1.408 1.00 1.00 H new ATOM 0 HG3 MET A 30 -7.909 -11.977 -1.308 1.00 1.00 H new ATOM 0 HE1 MET A 30 -11.559 -12.226 1.352 1.00 1.00 H new ATOM 0 HE2 MET A 30 -11.261 -12.981 -0.232 1.00 1.00 H new ATOM 0 HE3 MET A 30 -10.740 -13.803 1.258 1.00 1.00 H new ATOM 466 N LEU A 31 -11.360 -10.380 -4.954 1.00 1.00 N ATOM 467 CA LEU A 31 -12.547 -9.867 -5.647 1.00 1.00 C ATOM 468 C LEU A 31 -12.588 -10.394 -7.096 1.00 1.00 C ATOM 469 O LEU A 31 -13.510 -10.085 -7.844 1.00 1.00 O ATOM 470 CB LEU A 31 -12.624 -8.322 -5.457 1.00 1.00 C ATOM 471 CG LEU A 31 -12.499 -7.427 -6.709 1.00 1.00 C ATOM 472 CD1 LEU A 31 -13.852 -7.215 -7.413 1.00 1.00 C ATOM 473 CD2 LEU A 31 -11.892 -6.057 -6.380 1.00 1.00 C ATOM 0 H LEU A 31 -10.492 -10.020 -5.350 1.00 1.00 H new ATOM 0 HA LEU A 31 -13.472 -10.245 -5.212 1.00 1.00 H new ATOM 0 HB2 LEU A 31 -13.575 -8.092 -4.977 1.00 1.00 H new ATOM 0 HB3 LEU A 31 -11.837 -8.032 -4.760 1.00 1.00 H new ATOM 0 HG LEU A 31 -11.830 -7.962 -7.383 1.00 1.00 H new ATOM 0 HD11 LEU A 31 -13.712 -6.579 -8.287 1.00 1.00 H new ATOM 0 HD12 LEU A 31 -14.254 -8.179 -7.726 1.00 1.00 H new ATOM 0 HD13 LEU A 31 -14.549 -6.737 -6.725 1.00 1.00 H new ATOM 0 HD21 LEU A 31 -11.823 -5.461 -7.290 1.00 1.00 H new ATOM 0 HD22 LEU A 31 -12.525 -5.543 -5.657 1.00 1.00 H new ATOM 0 HD23 LEU A 31 -10.896 -6.192 -5.959 1.00 1.00 H new ATOM 485 N THR A 32 -11.591 -11.199 -7.499 1.00 1.00 N ATOM 486 CA THR A 32 -11.433 -11.719 -8.865 1.00 1.00 C ATOM 487 C THR A 32 -11.224 -10.568 -9.862 1.00 1.00 C ATOM 488 O THR A 32 -11.529 -10.742 -11.034 1.00 1.00 O ATOM 489 CB THR A 32 -12.623 -12.655 -9.219 1.00 1.00 C ATOM 490 OG1 THR A 32 -12.793 -13.600 -8.185 1.00 1.00 O ATOM 491 CG2 THR A 32 -12.497 -13.508 -10.485 1.00 1.00 C ATOM 0 H THR A 32 -10.855 -11.513 -6.867 1.00 1.00 H new ATOM 0 HA THR A 32 -10.533 -12.330 -8.930 1.00 1.00 H new ATOM 0 HB THR A 32 -13.442 -11.952 -9.370 1.00 1.00 H new ATOM 0 HG1 THR A 32 -13.543 -14.192 -8.403 1.00 1.00 H new ATOM 0 HG21 THR A 32 -13.397 -14.111 -10.609 1.00 1.00 H new ATOM 0 HG22 THR A 32 -12.374 -12.858 -11.351 1.00 1.00 H new ATOM 0 HG23 THR A 32 -11.631 -14.163 -10.397 1.00 1.00 H new