USER MOD reduce.3.24.130724 H: found=0, std=0, add=136, rem=0, adj=3 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 K(o=0,f=-0.66) USER MOD Single : A 30 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 228 N MET A 17 1.772 4.080 2.808 1.00 1.00 N ATOM 229 CA MET A 17 0.889 3.591 1.744 1.00 1.00 C ATOM 230 C MET A 17 1.363 2.251 1.161 1.00 1.00 C ATOM 231 O MET A 17 0.536 1.469 0.712 1.00 1.00 O ATOM 232 CB MET A 17 0.736 4.647 0.633 1.00 1.00 C ATOM 233 CG MET A 17 -0.736 4.976 0.360 1.00 1.00 C ATOM 234 SD MET A 17 -1.728 3.579 -0.236 1.00 1.00 S ATOM 235 CE MET A 17 -3.225 4.448 -0.762 1.00 1.00 C ATOM 0 HA MET A 17 -0.087 3.414 2.196 1.00 1.00 H new ATOM 0 HB2 MET A 17 1.265 5.556 0.920 1.00 1.00 H new ATOM 0 HB3 MET A 17 1.203 4.282 -0.282 1.00 1.00 H new ATOM 0 HG2 MET A 17 -1.185 5.357 1.277 1.00 1.00 H new ATOM 0 HG3 MET A 17 -0.784 5.778 -0.376 1.00 1.00 H new ATOM 0 HE1 MET A 17 -3.943 3.729 -1.157 1.00 1.00 H new ATOM 0 HE2 MET A 17 -3.663 4.967 0.090 1.00 1.00 H new ATOM 0 HE3 MET A 17 -2.972 5.172 -1.537 1.00 1.00 H new ATOM 245 N ALA A 18 2.663 1.937 1.247 1.00 1.00 N ATOM 246 CA ALA A 18 3.219 0.638 0.872 1.00 1.00 C ATOM 247 C ALA A 18 2.521 -0.550 1.569 1.00 1.00 C ATOM 248 O ALA A 18 2.402 -1.617 0.971 1.00 1.00 O ATOM 249 CB ALA A 18 4.723 0.660 1.165 1.00 1.00 C ATOM 0 H ALA A 18 3.367 2.593 1.586 1.00 1.00 H new ATOM 0 HA ALA A 18 3.043 0.480 -0.192 1.00 1.00 H new ATOM 0 HB1 ALA A 18 5.161 -0.300 0.893 1.00 1.00 H new ATOM 0 HB2 ALA A 18 5.195 1.452 0.584 1.00 1.00 H new ATOM 0 HB3 ALA A 18 4.884 0.844 2.227 1.00 1.00 H new ATOM 255 N GLN A 19 2.010 -0.360 2.796 1.00 1.00 N ATOM 256 CA GLN A 19 1.222 -1.360 3.524 1.00 1.00 C ATOM 257 C GLN A 19 -0.187 -1.508 2.925 1.00 1.00 C ATOM 258 O GLN A 19 -0.565 -2.596 2.498 1.00 1.00 O ATOM 259 CB GLN A 19 1.184 -0.991 5.025 1.00 1.00 C ATOM 260 CG GLN A 19 1.941 -1.986 5.922 1.00 1.00 C ATOM 261 CD GLN A 19 1.003 -2.948 6.652 1.00 1.00 C ATOM 262 OE1 GLN A 19 0.802 -4.091 6.262 1.00 1.00 O ATOM 263 NE2 GLN A 19 0.407 -2.505 7.745 1.00 1.00 N ATOM 0 H GLN A 19 2.137 0.508 3.316 1.00 1.00 H new ATOM 0 HA GLN A 19 1.699 -2.335 3.423 1.00 1.00 H new ATOM 0 HB2 GLN A 19 1.611 0.003 5.157 1.00 1.00 H new ATOM 0 HB3 GLN A 19 0.145 -0.937 5.351 1.00 1.00 H new ATOM 0 HG2 GLN A 19 2.641 -2.558 5.314 1.00 1.00 H new ATOM 0 HG3 GLN A 19 2.531 -1.434 6.654 1.00 1.00 H new ATOM 0 HE21 GLN A 19 0.576 -1.552 8.068 1.00 1.00 H new ATOM 0 HE22 GLN A 19 -0.222 -3.116 8.266 1.00 1.00 H new ATOM 272 N TYR A 20 -0.956 -0.413 2.853 1.00 1.00 N ATOM 273 CA TYR A 20 -2.302 -0.392 2.261 1.00 1.00 C ATOM 274 C TYR A 20 -2.316 -0.858 0.792 1.00 1.00 C ATOM 275 O TYR A 20 -3.183 -1.634 0.389 1.00 1.00 O ATOM 276 CB TYR A 20 -2.885 1.027 2.387 1.00 1.00 C ATOM 277 CG TYR A 20 -3.804 1.236 3.578 1.00 1.00 C ATOM 278 CD1 TYR A 20 -3.302 1.177 4.896 1.00 1.00 C ATOM 279 CD2 TYR A 20 -5.173 1.497 3.364 1.00 1.00 C ATOM 280 CE1 TYR A 20 -4.167 1.374 5.989 1.00 1.00 C ATOM 281 CE2 TYR A 20 -6.042 1.692 4.454 1.00 1.00 C ATOM 282 CZ TYR A 20 -5.540 1.625 5.772 1.00 1.00 C ATOM 283 OH TYR A 20 -6.374 1.776 6.835 1.00 1.00 O ATOM 0 H TYR A 20 -0.657 0.495 3.209 1.00 1.00 H new ATOM 0 HA TYR A 20 -2.920 -1.102 2.811 1.00 1.00 H new ATOM 0 HB2 TYR A 20 -2.062 1.738 2.452 1.00 1.00 H new ATOM 0 HB3 TYR A 20 -3.436 1.260 1.476 1.00 1.00 H new ATOM 0 HD1 TYR A 20 -2.254 0.981 5.066 1.00 1.00 H new ATOM 0 HD2 TYR A 20 -5.558 1.548 2.356 1.00 1.00 H new ATOM 0 HE1 TYR A 20 -3.780 1.333 6.996 1.00 1.00 H new ATOM 0 HE2 TYR A 20 -7.089 1.892 4.283 1.00 1.00 H new ATOM 0 HH TYR A 20 -7.285 1.944 6.515 1.00 1.00 H new ATOM 293 N ALA A 21 -1.335 -0.432 -0.008 1.00 1.00 N ATOM 294 CA ALA A 21 -1.141 -0.872 -1.388 1.00 1.00 C ATOM 295 C ALA A 21 -0.898 -2.387 -1.475 1.00 1.00 C ATOM 296 O ALA A 21 -1.542 -3.073 -2.276 1.00 1.00 O ATOM 297 CB ALA A 21 0.027 -0.085 -1.990 1.00 1.00 C ATOM 0 H ALA A 21 -0.637 0.246 0.296 1.00 1.00 H new ATOM 0 HA ALA A 21 -2.049 -0.675 -1.958 1.00 1.00 H new ATOM 0 HB1 ALA A 21 0.186 -0.401 -3.021 1.00 1.00 H new ATOM 0 HB2 ALA A 21 -0.203 0.980 -1.968 1.00 1.00 H new ATOM 0 HB3 ALA A 21 0.930 -0.273 -1.410 1.00 1.00 H new ATOM 303 N ALA A 22 -0.021 -2.921 -0.612 1.00 1.00 N ATOM 304 CA ALA A 22 0.182 -4.361 -0.487 1.00 1.00 C ATOM 305 C ALA A 22 -1.093 -5.105 -0.054 1.00 1.00 C ATOM 306 O ALA A 22 -1.203 -6.290 -0.356 1.00 1.00 O ATOM 307 CB ALA A 22 1.344 -4.636 0.474 1.00 1.00 C ATOM 0 H ALA A 22 0.562 -2.365 0.013 1.00 1.00 H new ATOM 0 HA ALA A 22 0.434 -4.749 -1.474 1.00 1.00 H new ATOM 0 HB1 ALA A 22 1.494 -5.712 0.566 1.00 1.00 H new ATOM 0 HB2 ALA A 22 2.253 -4.175 0.087 1.00 1.00 H new ATOM 0 HB3 ALA A 22 1.113 -4.217 1.453 1.00 1.00 H new ATOM 313 N GLU A 23 -2.058 -4.429 0.589 1.00 1.00 N ATOM 314 CA GLU A 23 -3.390 -4.957 0.896 1.00 1.00 C ATOM 315 C GLU A 23 -4.285 -5.010 -0.354 1.00 1.00 C ATOM 316 O GLU A 23 -4.866 -6.059 -0.640 1.00 1.00 O ATOM 317 CB GLU A 23 -4.080 -4.147 2.017 1.00 1.00 C ATOM 318 CG GLU A 23 -4.807 -5.102 2.980 1.00 1.00 C ATOM 319 CD GLU A 23 -5.945 -4.442 3.771 1.00 1.00 C ATOM 320 OE1 GLU A 23 -6.931 -4.029 3.121 1.00 1.00 O ATOM 321 OE2 GLU A 23 -5.850 -4.419 5.020 1.00 1.00 O ATOM 0 H GLU A 23 -1.926 -3.473 0.918 1.00 1.00 H new ATOM 0 HA GLU A 23 -3.247 -5.977 1.252 1.00 1.00 H new ATOM 0 HB2 GLU A 23 -3.340 -3.560 2.562 1.00 1.00 H new ATOM 0 HB3 GLU A 23 -4.790 -3.442 1.584 1.00 1.00 H new ATOM 0 HG2 GLU A 23 -5.212 -5.938 2.410 1.00 1.00 H new ATOM 0 HG3 GLU A 23 -4.082 -5.515 3.682 1.00 1.00 H new ATOM 328 N LEU A 24 -4.365 -3.919 -1.134 1.00 1.00 N ATOM 329 CA LEU A 24 -5.172 -3.861 -2.362 1.00 1.00 C ATOM 330 C LEU A 24 -4.829 -4.987 -3.342 1.00 1.00 C ATOM 331 O LEU A 24 -5.734 -5.594 -3.912 1.00 1.00 O ATOM 332 CB LEU A 24 -5.032 -2.499 -3.074 1.00 1.00 C ATOM 333 CG LEU A 24 -6.351 -1.703 -3.097 1.00 1.00 C ATOM 334 CD1 LEU A 24 -6.571 -0.995 -1.759 1.00 1.00 C ATOM 335 CD2 LEU A 24 -6.362 -0.687 -4.252 1.00 1.00 C ATOM 0 H LEU A 24 -3.870 -3.051 -0.929 1.00 1.00 H new ATOM 0 HA LEU A 24 -6.206 -3.990 -2.043 1.00 1.00 H new ATOM 0 HB2 LEU A 24 -4.265 -1.909 -2.573 1.00 1.00 H new ATOM 0 HB3 LEU A 24 -4.692 -2.661 -4.097 1.00 1.00 H new ATOM 0 HG LEU A 24 -7.168 -2.406 -3.258 1.00 1.00 H new ATOM 0 HD11 LEU A 24 -7.507 -0.437 -1.792 1.00 1.00 H new ATOM 0 HD12 LEU A 24 -6.617 -1.734 -0.959 1.00 1.00 H new ATOM 0 HD13 LEU A 24 -5.746 -0.308 -1.571 1.00 1.00 H new ATOM 0 HD21 LEU A 24 -7.304 -0.139 -4.245 1.00 1.00 H new ATOM 0 HD22 LEU A 24 -5.535 0.012 -4.130 1.00 1.00 H new ATOM 0 HD23 LEU A 24 -6.255 -1.213 -5.201 1.00 1.00 H new ATOM 347 N ARG A 25 -3.536 -5.309 -3.499 1.00 1.00 N ATOM 348 CA ARG A 25 -3.073 -6.474 -4.271 1.00 1.00 C ATOM 349 C ARG A 25 -3.807 -7.763 -3.874 1.00 1.00 C ATOM 350 O ARG A 25 -4.162 -8.566 -4.738 1.00 1.00 O ATOM 351 CB ARG A 25 -1.547 -6.611 -4.104 1.00 1.00 C ATOM 352 CG ARG A 25 -1.025 -7.962 -4.625 1.00 1.00 C ATOM 353 CD ARG A 25 0.501 -8.101 -4.518 1.00 1.00 C ATOM 354 NE ARG A 25 0.886 -9.268 -3.698 1.00 1.00 N ATOM 355 CZ ARG A 25 0.737 -10.552 -4.009 1.00 1.00 C ATOM 356 NH1 ARG A 25 0.260 -10.937 -5.172 1.00 1.00 N ATOM 357 NH2 ARG A 25 1.063 -11.484 -3.145 1.00 1.00 N ATOM 0 H ARG A 25 -2.776 -4.765 -3.091 1.00 1.00 H new ATOM 0 HA ARG A 25 -3.306 -6.312 -5.323 1.00 1.00 H new ATOM 0 HB2 ARG A 25 -1.050 -5.801 -4.638 1.00 1.00 H new ATOM 0 HB3 ARG A 25 -1.287 -6.505 -3.051 1.00 1.00 H new ATOM 0 HG2 ARG A 25 -1.497 -8.768 -4.064 1.00 1.00 H new ATOM 0 HG3 ARG A 25 -1.323 -8.082 -5.667 1.00 1.00 H new ATOM 0 HD2 ARG A 25 0.928 -8.200 -5.516 1.00 1.00 H new ATOM 0 HD3 ARG A 25 0.919 -7.195 -4.081 1.00 1.00 H new ATOM 0 HE ARG A 25 1.313 -9.067 -2.794 1.00 1.00 H new ATOM 0 HH11 ARG A 25 -0.009 -10.242 -5.868 1.00 1.00 H new ATOM 0 HH12 ARG A 25 0.159 -11.931 -5.378 1.00 1.00 H new ATOM 0 HH21 ARG A 25 1.432 -11.225 -2.230 1.00 1.00 H new ATOM 0 HH22 ARG A 25 0.947 -12.468 -3.388 1.00 1.00 H new ATOM 371 N ARG A 26 -4.005 -7.975 -2.569 1.00 1.00 N ATOM 372 CA ARG A 26 -4.673 -9.159 -2.008 1.00 1.00 C ATOM 373 C ARG A 26 -6.176 -9.039 -2.213 1.00 1.00 C ATOM 374 O ARG A 26 -6.807 -9.980 -2.696 1.00 1.00 O ATOM 375 CB ARG A 26 -4.347 -9.351 -0.512 1.00 1.00 C ATOM 376 CG ARG A 26 -2.949 -8.844 -0.129 1.00 1.00 C ATOM 377 CD ARG A 26 -2.376 -9.446 1.159 1.00 1.00 C ATOM 378 NE ARG A 26 -1.071 -10.098 0.914 1.00 1.00 N ATOM 379 CZ ARG A 26 -0.858 -11.274 0.331 1.00 1.00 C ATOM 380 NH1 ARG A 26 -1.861 -12.001 -0.104 1.00 1.00 N ATOM 381 NH2 ARG A 26 0.365 -11.746 0.190 1.00 1.00 N ATOM 0 H ARG A 26 -3.699 -7.314 -1.855 1.00 1.00 H new ATOM 0 HA ARG A 26 -4.300 -10.038 -2.533 1.00 1.00 H new ATOM 0 HB2 ARG A 26 -5.093 -8.828 0.086 1.00 1.00 H new ATOM 0 HB3 ARG A 26 -4.424 -10.409 -0.263 1.00 1.00 H new ATOM 0 HG2 ARG A 26 -2.263 -9.057 -0.949 1.00 1.00 H new ATOM 0 HG3 ARG A 26 -2.988 -7.760 -0.020 1.00 1.00 H new ATOM 0 HD2 ARG A 26 -2.259 -8.663 1.908 1.00 1.00 H new ATOM 0 HD3 ARG A 26 -3.078 -10.174 1.566 1.00 1.00 H new ATOM 0 HE ARG A 26 -0.244 -9.590 1.227 1.00 1.00 H new ATOM 0 HH11 ARG A 26 -2.818 -11.666 0.003 1.00 1.00 H new ATOM 0 HH12 ARG A 26 -1.683 -12.901 -0.549 1.00 1.00 H new ATOM 0 HH21 ARG A 26 1.162 -11.208 0.530 1.00 1.00 H new ATOM 0 HH22 ARG A 26 0.514 -12.650 -0.259 1.00 1.00 H new ATOM 395 N TYR A 27 -6.715 -7.853 -1.908 1.00 1.00 N ATOM 396 CA TYR A 27 -8.113 -7.494 -2.106 1.00 1.00 C ATOM 397 C TYR A 27 -8.562 -7.777 -3.541 1.00 1.00 C ATOM 398 O TYR A 27 -9.609 -8.372 -3.729 1.00 1.00 O ATOM 399 CB TYR A 27 -8.338 -6.026 -1.716 1.00 1.00 C ATOM 400 CG TYR A 27 -9.744 -5.727 -1.231 1.00 1.00 C ATOM 401 CD1 TYR A 27 -10.200 -6.300 -0.026 1.00 1.00 C ATOM 402 CD2 TYR A 27 -10.581 -4.855 -1.956 1.00 1.00 C ATOM 403 CE1 TYR A 27 -11.484 -5.996 0.465 1.00 1.00 C ATOM 404 CE2 TYR A 27 -11.862 -4.541 -1.465 1.00 1.00 C ATOM 405 CZ TYR A 27 -12.312 -5.099 -0.250 1.00 1.00 C ATOM 406 OH TYR A 27 -13.525 -4.732 0.244 1.00 1.00 O ATOM 0 H TYR A 27 -6.166 -7.095 -1.503 1.00 1.00 H new ATOM 0 HA TYR A 27 -8.729 -8.116 -1.456 1.00 1.00 H new ATOM 0 HB2 TYR A 27 -7.629 -5.756 -0.933 1.00 1.00 H new ATOM 0 HB3 TYR A 27 -8.119 -5.394 -2.577 1.00 1.00 H new ATOM 0 HD1 TYR A 27 -9.561 -6.976 0.523 1.00 1.00 H new ATOM 0 HD2 TYR A 27 -10.240 -4.428 -2.887 1.00 1.00 H new ATOM 0 HE1 TYR A 27 -11.835 -6.445 1.382 1.00 1.00 H new ATOM 0 HE2 TYR A 27 -12.502 -3.871 -2.020 1.00 1.00 H new ATOM 0 HH TYR A 27 -13.957 -4.110 -0.378 1.00 1.00 H new ATOM 416 N ILE A 28 -7.741 -7.446 -4.545 1.00 1.00 N ATOM 417 CA ILE A 28 -7.963 -7.746 -5.966 1.00 1.00 C ATOM 418 C ILE A 28 -8.209 -9.240 -6.213 1.00 1.00 C ATOM 419 O ILE A 28 -9.236 -9.592 -6.796 1.00 1.00 O ATOM 420 CB ILE A 28 -6.779 -7.196 -6.795 1.00 1.00 C ATOM 421 CG1 ILE A 28 -6.955 -5.676 -7.000 1.00 1.00 C ATOM 422 CG2 ILE A 28 -6.647 -7.919 -8.145 1.00 1.00 C ATOM 423 CD1 ILE A 28 -5.650 -4.970 -7.398 1.00 1.00 C ATOM 0 H ILE A 28 -6.869 -6.942 -4.384 1.00 1.00 H new ATOM 0 HA ILE A 28 -8.875 -7.247 -6.292 1.00 1.00 H new ATOM 0 HB ILE A 28 -5.857 -7.380 -6.243 1.00 1.00 H new ATOM 0 HG12 ILE A 28 -7.705 -5.503 -7.772 1.00 1.00 H new ATOM 0 HG13 ILE A 28 -7.336 -5.232 -6.080 1.00 1.00 H new ATOM 0 HG21 ILE A 28 -5.804 -7.505 -8.699 1.00 1.00 H new ATOM 0 HG22 ILE A 28 -6.481 -8.983 -7.973 1.00 1.00 H new ATOM 0 HG23 ILE A 28 -7.562 -7.783 -8.722 1.00 1.00 H new ATOM 0 HD11 ILE A 28 -5.838 -3.904 -7.528 1.00 1.00 H new ATOM 0 HD12 ILE A 28 -4.905 -5.115 -6.616 1.00 1.00 H new ATOM 0 HD13 ILE A 28 -5.280 -5.390 -8.333 1.00 1.00 H new ATOM 435 N ASN A 29 -7.288 -10.115 -5.786 1.00 1.00 N ATOM 436 CA ASN A 29 -7.442 -11.568 -5.918 1.00 1.00 C ATOM 437 C ASN A 29 -8.710 -12.044 -5.182 1.00 1.00 C ATOM 438 O ASN A 29 -9.479 -12.842 -5.711 1.00 1.00 O ATOM 439 CB ASN A 29 -6.149 -12.237 -5.406 1.00 1.00 C ATOM 440 CG ASN A 29 -5.983 -13.689 -5.848 1.00 1.00 C ATOM 441 OD1 ASN A 29 -6.861 -14.525 -5.732 1.00 1.00 O ATOM 442 ND2 ASN A 29 -4.819 -14.054 -6.346 1.00 1.00 N ATOM 0 H ASN A 29 -6.415 -9.834 -5.339 1.00 1.00 H new ATOM 0 HA ASN A 29 -7.581 -11.856 -6.960 1.00 1.00 H new ATOM 0 HB2 ASN A 29 -5.292 -11.662 -5.755 1.00 1.00 H new ATOM 0 HB3 ASN A 29 -6.138 -12.196 -4.317 1.00 1.00 H new ATOM 0 HD21 ASN A 29 -4.666 -15.023 -6.627 1.00 1.00 H new ATOM 0 HD22 ASN A 29 -4.071 -13.368 -6.451 1.00 1.00 H new ATOM 449 N MET A 30 -8.979 -11.461 -4.007 1.00 1.00 N ATOM 450 CA MET A 30 -10.184 -11.671 -3.196 1.00 1.00 C ATOM 451 C MET A 30 -11.476 -11.061 -3.771 1.00 1.00 C ATOM 452 O MET A 30 -12.557 -11.373 -3.272 1.00 1.00 O ATOM 453 CB MET A 30 -9.905 -11.124 -1.789 1.00 1.00 C ATOM 454 CG MET A 30 -9.126 -12.149 -0.956 1.00 1.00 C ATOM 455 SD MET A 30 -10.172 -13.051 0.219 1.00 1.00 S ATOM 456 CE MET A 30 -10.186 -11.819 1.552 1.00 1.00 C ATOM 0 H MET A 30 -8.333 -10.800 -3.576 1.00 1.00 H new ATOM 0 HA MET A 30 -10.380 -12.743 -3.185 1.00 1.00 H new ATOM 0 HB2 MET A 30 -9.336 -10.197 -1.860 1.00 1.00 H new ATOM 0 HB3 MET A 30 -10.846 -10.884 -1.293 1.00 1.00 H new ATOM 0 HG2 MET A 30 -8.644 -12.861 -1.625 1.00 1.00 H new ATOM 0 HG3 MET A 30 -8.333 -11.638 -0.410 1.00 1.00 H new ATOM 0 HE1 MET A 30 -10.786 -12.189 2.383 1.00 1.00 H new ATOM 0 HE2 MET A 30 -9.166 -11.640 1.893 1.00 1.00 H new ATOM 0 HE3 MET A 30 -10.614 -10.887 1.182 1.00 1.00 H new ATOM 466 N LEU A 31 -11.388 -10.249 -4.831 1.00 1.00 N ATOM 467 CA LEU A 31 -12.518 -9.631 -5.528 1.00 1.00 C ATOM 468 C LEU A 31 -12.680 -10.180 -6.952 1.00 1.00 C ATOM 469 O LEU A 31 -13.577 -9.744 -7.672 1.00 1.00 O ATOM 470 CB LEU A 31 -12.354 -8.091 -5.511 1.00 1.00 C ATOM 471 CG LEU A 31 -13.694 -7.344 -5.326 1.00 1.00 C ATOM 472 CD1 LEU A 31 -13.616 -6.390 -4.126 1.00 1.00 C ATOM 473 CD2 LEU A 31 -14.124 -6.564 -6.575 1.00 1.00 C ATOM 0 H LEU A 31 -10.490 -9.995 -5.242 1.00 1.00 H new ATOM 0 HA LEU A 31 -13.438 -9.887 -5.002 1.00 1.00 H new ATOM 0 HB2 LEU A 31 -11.675 -7.812 -4.706 1.00 1.00 H new ATOM 0 HB3 LEU A 31 -11.891 -7.770 -6.444 1.00 1.00 H new ATOM 0 HG LEU A 31 -14.449 -8.109 -5.146 1.00 1.00 H new ATOM 0 HD11 LEU A 31 -14.568 -5.872 -4.010 1.00 1.00 H new ATOM 0 HD12 LEU A 31 -13.400 -6.959 -3.222 1.00 1.00 H new ATOM 0 HD13 LEU A 31 -12.824 -5.660 -4.292 1.00 1.00 H new ATOM 0 HD21 LEU A 31 -15.072 -6.061 -6.382 1.00 1.00 H new ATOM 0 HD22 LEU A 31 -13.364 -5.823 -6.821 1.00 1.00 H new ATOM 0 HD23 LEU A 31 -14.243 -7.253 -7.411 1.00 1.00 H new ATOM 485 N THR A 32 -11.806 -11.112 -7.364 1.00 1.00 N ATOM 486 CA THR A 32 -11.771 -11.735 -8.697 1.00 1.00 C ATOM 487 C THR A 32 -11.680 -10.685 -9.824 1.00 1.00 C ATOM 488 O THR A 32 -12.031 -10.953 -10.971 1.00 1.00 O ATOM 489 CB THR A 32 -12.942 -12.738 -8.834 1.00 1.00 C ATOM 490 OG1 THR A 32 -12.996 -13.554 -7.682 1.00 1.00 O ATOM 491 CG2 THR A 32 -12.810 -13.731 -9.993 1.00 1.00 C ATOM 0 H THR A 32 -11.073 -11.467 -6.751 1.00 1.00 H new ATOM 0 HA THR A 32 -10.854 -12.314 -8.807 1.00 1.00 H new ATOM 0 HB THR A 32 -13.818 -12.109 -8.994 1.00 1.00 H new ATOM 0 HG1 THR A 32 -13.738 -14.189 -7.765 1.00 1.00 H new ATOM 0 HG21 THR A 32 -13.677 -14.391 -10.007 1.00 1.00 H new ATOM 0 HG22 THR A 32 -12.754 -13.185 -10.935 1.00 1.00 H new ATOM 0 HG23 THR A 32 -11.905 -14.324 -9.863 1.00 1.00 H new