USER MOD reduce.3.24.130724 H: found=0, std=0, add=416, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 417 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 19 SER OG : rot 180:sc= 0 USER MOD Single : A 21 THR OG1 : rot 170:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 34 SER OG : rot 180:sc= 0.0231 USER MOD Single : A 35 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 38 GLN : amide:sc= -1.33 K(o=-1.3,f=-0.47) USER MOD Single : A 43 LYS NZ :NH3+ -159:sc= -0.057 (180deg=-0.366) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 THR OG1 : rot 8:sc= -0.222 USER MOD Single : A 54 SER OG : rot -17:sc= 0.913 USER MOD Single : A 56 LYS NZ :NH3+ -164:sc= 0 (180deg=-0.299) USER MOD Single : A 58 SER OG : rot 180:sc= -0.336 USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 SER OG : rot 180:sc= 0.0112 USER MOD Single : A 76 SER OG : rot 180:sc= 0.00466 USER MOD ----------------------------------------------------------------- ATOM 268 N VAL A 18 13.562 -1.766 5.065 1.00 0.00 N ATOM 269 CA VAL A 18 12.988 -1.890 6.399 1.00 0.00 C ATOM 270 C VAL A 18 13.997 -2.482 7.378 1.00 0.00 C ATOM 271 O VAL A 18 14.727 -3.416 7.043 1.00 0.00 O ATOM 272 CB VAL A 18 11.724 -2.774 6.388 1.00 0.00 C ATOM 273 CG1 VAL A 18 10.950 -2.616 7.688 1.00 0.00 C ATOM 274 CG2 VAL A 18 10.846 -2.438 5.192 1.00 0.00 C ATOM 0 HA VAL A 18 12.717 -0.884 6.721 1.00 0.00 H new ATOM 0 HB VAL A 18 12.033 -3.816 6.300 1.00 0.00 H new ATOM 0 HG11 VAL A 18 10.062 -3.247 7.662 1.00 0.00 H new ATOM 0 HG12 VAL A 18 11.581 -2.913 8.526 1.00 0.00 H new ATOM 0 HG13 VAL A 18 10.652 -1.575 7.810 1.00 0.00 H new ATOM 0 HG21 VAL A 18 9.959 -3.072 5.202 1.00 0.00 H new ATOM 0 HG22 VAL A 18 10.544 -1.392 5.244 1.00 0.00 H new ATOM 0 HG23 VAL A 18 11.404 -2.609 4.271 1.00 0.00 H new ATOM 284 N SER A 19 14.032 -1.935 8.590 1.00 0.00 N ATOM 285 CA SER A 19 14.949 -2.411 9.618 1.00 0.00 C ATOM 286 C SER A 19 14.683 -3.876 9.940 1.00 0.00 C ATOM 287 O SER A 19 13.547 -4.343 9.849 1.00 0.00 O ATOM 288 CB SER A 19 14.815 -1.563 10.884 1.00 0.00 C ATOM 289 OG SER A 19 15.386 -2.220 12.002 1.00 0.00 O ATOM 0 H SER A 19 13.435 -1.162 8.883 1.00 0.00 H new ATOM 0 HA SER A 19 15.966 -2.319 9.237 1.00 0.00 H new ATOM 0 HB2 SER A 19 15.305 -0.601 10.734 1.00 0.00 H new ATOM 0 HB3 SER A 19 13.762 -1.358 11.078 1.00 0.00 H new ATOM 0 HG SER A 19 15.289 -1.656 12.798 1.00 0.00 H new ATOM 295 N PHE A 20 15.733 -4.600 10.314 1.00 0.00 N ATOM 296 CA PHE A 20 15.605 -6.014 10.643 1.00 0.00 C ATOM 297 C PHE A 20 15.752 -6.249 12.140 1.00 0.00 C ATOM 298 O PHE A 20 16.501 -5.546 12.820 1.00 0.00 O ATOM 299 CB PHE A 20 16.645 -6.837 9.881 1.00 0.00 C ATOM 300 CG PHE A 20 16.148 -7.367 8.565 1.00 0.00 C ATOM 301 CD1 PHE A 20 14.812 -7.691 8.390 1.00 0.00 C ATOM 302 CD2 PHE A 20 17.021 -7.542 7.504 1.00 0.00 C ATOM 303 CE1 PHE A 20 14.355 -8.179 7.183 1.00 0.00 C ATOM 304 CE2 PHE A 20 16.570 -8.029 6.292 1.00 0.00 C ATOM 305 CZ PHE A 20 15.236 -8.348 6.131 1.00 0.00 C ATOM 0 H PHE A 20 16.680 -4.231 10.397 1.00 0.00 H new ATOM 0 HA PHE A 20 14.607 -6.335 10.344 1.00 0.00 H new ATOM 0 HB2 PHE A 20 17.526 -6.220 9.705 1.00 0.00 H new ATOM 0 HB3 PHE A 20 16.961 -7.674 10.504 1.00 0.00 H new ATOM 0 HD1 PHE A 20 14.120 -7.560 9.209 1.00 0.00 H new ATOM 0 HD2 PHE A 20 18.065 -7.295 7.625 1.00 0.00 H new ATOM 0 HE1 PHE A 20 13.311 -8.428 7.060 1.00 0.00 H new ATOM 0 HE2 PHE A 20 17.260 -8.160 5.472 1.00 0.00 H new ATOM 0 HZ PHE A 20 14.881 -8.729 5.185 1.00 0.00 H new ATOM 315 N THR A 21 15.032 -7.247 12.645 1.00 0.00 N ATOM 316 CA THR A 21 15.079 -7.583 14.064 1.00 0.00 C ATOM 317 C THR A 21 14.825 -9.070 14.284 1.00 0.00 C ATOM 318 O THR A 21 14.290 -9.754 13.411 1.00 0.00 O ATOM 319 CB THR A 21 14.039 -6.778 14.868 1.00 0.00 C ATOM 320 OG1 THR A 21 12.762 -6.844 14.223 1.00 0.00 O ATOM 321 CG2 THR A 21 14.467 -5.325 15.007 1.00 0.00 C ATOM 0 H THR A 21 14.409 -7.837 12.093 1.00 0.00 H new ATOM 0 HA THR A 21 16.079 -7.328 14.415 1.00 0.00 H new ATOM 0 HB THR A 21 13.966 -7.215 15.864 1.00 0.00 H new ATOM 0 HG1 THR A 21 12.077 -6.471 14.816 1.00 0.00 H new ATOM 0 HG21 THR A 21 13.717 -4.778 15.578 1.00 0.00 H new ATOM 0 HG22 THR A 21 15.425 -5.276 15.525 1.00 0.00 H new ATOM 0 HG23 THR A 21 14.566 -4.879 14.018 1.00 0.00 H new ATOM 329 N GLY A 22 15.214 -9.565 15.455 1.00 0.00 N ATOM 330 CA GLY A 22 15.020 -10.969 15.769 1.00 0.00 C ATOM 331 C GLY A 22 16.081 -11.855 15.147 1.00 0.00 C ATOM 332 O GLY A 22 16.278 -12.992 15.576 1.00 0.00 O ATOM 0 H GLY A 22 15.660 -9.019 16.192 1.00 0.00 H new ATOM 0 HA2 GLY A 22 15.030 -11.101 16.851 1.00 0.00 H new ATOM 0 HA3 GLY A 22 14.037 -11.284 15.419 1.00 0.00 H new ATOM 336 N GLY A 23 16.767 -11.334 14.134 1.00 0.00 N ATOM 337 CA GLY A 23 17.805 -12.098 13.469 1.00 0.00 C ATOM 338 C GLY A 23 18.998 -12.357 14.368 1.00 0.00 C ATOM 339 O GLY A 23 19.140 -11.728 15.417 1.00 0.00 O ATOM 0 H GLY A 23 16.622 -10.395 13.762 1.00 0.00 H new ATOM 0 HA2 GLY A 23 17.393 -13.050 13.133 1.00 0.00 H new ATOM 0 HA3 GLY A 23 18.134 -11.561 12.579 1.00 0.00 H new ATOM 343 N LYS A 24 19.855 -13.284 13.955 1.00 0.00 N ATOM 344 CA LYS A 24 21.041 -13.625 14.732 1.00 0.00 C ATOM 345 C LYS A 24 22.210 -12.713 14.370 1.00 0.00 C ATOM 346 O LYS A 24 23.247 -13.175 13.893 1.00 0.00 O ATOM 347 CB LYS A 24 21.426 -15.087 14.498 1.00 0.00 C ATOM 348 CG LYS A 24 20.874 -16.036 15.549 1.00 0.00 C ATOM 349 CD LYS A 24 21.694 -15.990 16.829 1.00 0.00 C ATOM 350 CE LYS A 24 20.846 -16.320 18.045 1.00 0.00 C ATOM 351 NZ LYS A 24 21.666 -16.413 19.285 1.00 0.00 N ATOM 0 H LYS A 24 19.751 -13.812 13.088 1.00 0.00 H new ATOM 0 HA LYS A 24 20.807 -13.483 15.787 1.00 0.00 H new ATOM 0 HB2 LYS A 24 21.067 -15.396 13.516 1.00 0.00 H new ATOM 0 HB3 LYS A 24 22.513 -15.170 14.480 1.00 0.00 H new ATOM 0 HG2 LYS A 24 19.839 -15.774 15.769 1.00 0.00 H new ATOM 0 HG3 LYS A 24 20.869 -17.053 15.156 1.00 0.00 H new ATOM 0 HD2 LYS A 24 22.521 -16.696 16.758 1.00 0.00 H new ATOM 0 HD3 LYS A 24 22.131 -14.998 16.947 1.00 0.00 H new ATOM 0 HE2 LYS A 24 20.081 -15.554 18.172 1.00 0.00 H new ATOM 0 HE3 LYS A 24 20.328 -17.265 17.881 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 21.050 -16.640 20.092 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 22.380 -17.161 19.174 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 22.141 -15.504 19.456 1.00 0.00 H new ATOM 365 N ALA A 25 22.037 -11.414 14.602 1.00 0.00 N ATOM 366 CA ALA A 25 23.081 -10.440 14.305 1.00 0.00 C ATOM 367 C ALA A 25 24.354 -10.756 15.080 1.00 0.00 C ATOM 368 O ALA A 25 24.421 -10.548 16.291 1.00 0.00 O ATOM 369 CB ALA A 25 22.601 -9.031 14.625 1.00 0.00 C ATOM 0 H ALA A 25 21.185 -11.013 14.994 1.00 0.00 H new ATOM 0 HA ALA A 25 23.307 -10.498 13.240 1.00 0.00 H new ATOM 0 HB1 ALA A 25 23.392 -8.317 14.398 1.00 0.00 H new ATOM 0 HB2 ALA A 25 21.721 -8.801 14.024 1.00 0.00 H new ATOM 0 HB3 ALA A 25 22.346 -8.965 15.683 1.00 0.00 H new ATOM 375 N ILE A 26 25.362 -11.262 14.375 1.00 0.00 N ATOM 376 CA ILE A 26 26.631 -11.606 15.007 1.00 0.00 C ATOM 377 C ILE A 26 27.406 -10.348 15.382 1.00 0.00 C ATOM 378 O ILE A 26 28.425 -10.413 16.069 1.00 0.00 O ATOM 379 CB ILE A 26 27.506 -12.498 14.099 1.00 0.00 C ATOM 380 CG1 ILE A 26 27.947 -11.734 12.841 1.00 0.00 C ATOM 381 CG2 ILE A 26 26.758 -13.773 13.730 1.00 0.00 C ATOM 382 CD1 ILE A 26 26.914 -11.705 11.734 1.00 0.00 C ATOM 0 H ILE A 26 25.325 -11.442 13.372 1.00 0.00 H new ATOM 0 HA ILE A 26 26.392 -12.169 15.909 1.00 0.00 H new ATOM 0 HB ILE A 26 28.404 -12.775 14.651 1.00 0.00 H new ATOM 0 HG12 ILE A 26 28.192 -10.709 13.120 1.00 0.00 H new ATOM 0 HG13 ILE A 26 28.861 -12.187 12.457 1.00 0.00 H new ATOM 0 HG21 ILE A 26 27.387 -14.392 13.090 1.00 0.00 H new ATOM 0 HG22 ILE A 26 26.510 -14.324 14.637 1.00 0.00 H new ATOM 0 HG23 ILE A 26 25.841 -13.516 13.199 1.00 0.00 H new ATOM 0 HD11 ILE A 26 27.307 -11.146 10.885 1.00 0.00 H new ATOM 0 HD12 ILE A 26 26.685 -12.724 11.423 1.00 0.00 H new ATOM 0 HD13 ILE A 26 26.006 -11.224 12.096 1.00 0.00 H new ATOM 394 N SER A 27 26.902 -9.204 14.928 1.00 0.00 N ATOM 395 CA SER A 27 27.524 -7.916 15.211 1.00 0.00 C ATOM 396 C SER A 27 26.691 -6.785 14.627 1.00 0.00 C ATOM 397 O SER A 27 26.147 -6.902 13.530 1.00 0.00 O ATOM 398 CB SER A 27 28.944 -7.865 14.650 1.00 0.00 C ATOM 399 OG SER A 27 29.815 -7.171 15.527 1.00 0.00 O ATOM 0 H SER A 27 26.058 -9.144 14.358 1.00 0.00 H new ATOM 0 HA SER A 27 27.575 -7.794 16.293 1.00 0.00 H new ATOM 0 HB2 SER A 27 29.313 -8.879 14.493 1.00 0.00 H new ATOM 0 HB3 SER A 27 28.936 -7.374 13.677 1.00 0.00 H new ATOM 0 HG SER A 27 30.718 -7.154 15.146 1.00 0.00 H new ATOM 405 N GLU A 28 26.585 -5.697 15.374 1.00 0.00 N ATOM 406 CA GLU A 28 25.808 -4.544 14.943 1.00 0.00 C ATOM 407 C GLU A 28 26.542 -3.249 15.265 1.00 0.00 C ATOM 408 O GLU A 28 27.162 -3.123 16.320 1.00 0.00 O ATOM 409 CB GLU A 28 24.440 -4.550 15.625 1.00 0.00 C ATOM 410 CG GLU A 28 24.045 -5.904 16.193 1.00 0.00 C ATOM 411 CD GLU A 28 23.524 -5.811 17.614 1.00 0.00 C ATOM 412 OE1 GLU A 28 24.247 -5.269 18.477 1.00 0.00 O ATOM 413 OE2 GLU A 28 22.393 -6.280 17.864 1.00 0.00 O ATOM 0 H GLU A 28 27.029 -5.588 16.286 1.00 0.00 H new ATOM 0 HA GLU A 28 25.671 -4.605 13.863 1.00 0.00 H new ATOM 0 HB2 GLU A 28 24.442 -3.815 16.430 1.00 0.00 H new ATOM 0 HB3 GLU A 28 23.684 -4.233 14.906 1.00 0.00 H new ATOM 0 HG2 GLU A 28 23.280 -6.351 15.558 1.00 0.00 H new ATOM 0 HG3 GLU A 28 24.908 -6.570 16.169 1.00 0.00 H new ATOM 420 N ALA A 29 26.469 -2.289 14.351 1.00 0.00 N ATOM 421 CA ALA A 29 27.130 -1.004 14.544 1.00 0.00 C ATOM 422 C ALA A 29 26.190 0.156 14.233 1.00 0.00 C ATOM 423 O ALA A 29 25.876 0.416 13.072 1.00 0.00 O ATOM 424 CB ALA A 29 28.379 -0.917 13.681 1.00 0.00 C ATOM 0 H ALA A 29 25.960 -2.375 13.471 1.00 0.00 H new ATOM 0 HA ALA A 29 27.418 -0.930 15.593 1.00 0.00 H new ATOM 0 HB1 ALA A 29 28.862 0.048 13.836 1.00 0.00 H new ATOM 0 HB2 ALA A 29 29.068 -1.716 13.956 1.00 0.00 H new ATOM 0 HB3 ALA A 29 28.104 -1.021 12.631 1.00 0.00 H new ATOM 430 N LYS A 30 25.751 0.853 15.277 1.00 0.00 N ATOM 431 CA LYS A 30 24.851 1.989 15.114 1.00 0.00 C ATOM 432 C LYS A 30 25.486 3.059 14.233 1.00 0.00 C ATOM 433 O LYS A 30 26.231 3.913 14.715 1.00 0.00 O ATOM 434 CB LYS A 30 24.490 2.581 16.478 1.00 0.00 C ATOM 435 CG LYS A 30 23.761 1.609 17.391 1.00 0.00 C ATOM 436 CD LYS A 30 23.849 2.038 18.847 1.00 0.00 C ATOM 437 CE LYS A 30 22.769 1.378 19.688 1.00 0.00 C ATOM 438 NZ LYS A 30 23.097 1.413 21.141 1.00 0.00 N ATOM 0 H LYS A 30 26.004 0.651 16.244 1.00 0.00 H new ATOM 0 HA LYS A 30 23.941 1.636 14.629 1.00 0.00 H new ATOM 0 HB2 LYS A 30 25.402 2.916 16.972 1.00 0.00 H new ATOM 0 HB3 LYS A 30 23.867 3.463 16.328 1.00 0.00 H new ATOM 0 HG2 LYS A 30 22.715 1.543 17.093 1.00 0.00 H new ATOM 0 HG3 LYS A 30 24.188 0.612 17.278 1.00 0.00 H new ATOM 0 HD2 LYS A 30 24.830 1.780 19.245 1.00 0.00 H new ATOM 0 HD3 LYS A 30 23.753 3.122 18.915 1.00 0.00 H new ATOM 0 HE2 LYS A 30 21.818 1.883 19.518 1.00 0.00 H new ATOM 0 HE3 LYS A 30 22.642 0.343 19.369 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 22.336 0.953 21.680 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 23.992 0.910 21.307 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 23.193 2.401 21.452 1.00 0.00 H new ATOM 452 N ALA A 31 25.192 3.001 12.938 1.00 0.00 N ATOM 453 CA ALA A 31 25.740 3.961 11.987 1.00 0.00 C ATOM 454 C ALA A 31 24.636 4.614 11.165 1.00 0.00 C ATOM 455 O ALA A 31 23.630 3.982 10.842 1.00 0.00 O ATOM 456 CB ALA A 31 26.744 3.275 11.073 1.00 0.00 C ATOM 0 H ALA A 31 24.578 2.300 12.524 1.00 0.00 H new ATOM 0 HA ALA A 31 26.247 4.745 12.549 1.00 0.00 H new ATOM 0 HB1 ALA A 31 27.148 4.000 10.366 1.00 0.00 H new ATOM 0 HB2 ALA A 31 27.556 2.860 11.671 1.00 0.00 H new ATOM 0 HB3 ALA A 31 26.249 2.472 10.526 1.00 0.00 H new ATOM 462 N ALA A 32 24.834 5.884 10.824 1.00 0.00 N ATOM 463 CA ALA A 32 23.858 6.625 10.035 1.00 0.00 C ATOM 464 C ALA A 32 24.068 6.385 8.544 1.00 0.00 C ATOM 465 O ALA A 32 23.354 6.940 7.709 1.00 0.00 O ATOM 466 CB ALA A 32 23.942 8.111 10.352 1.00 0.00 C ATOM 0 H ALA A 32 25.662 6.421 11.082 1.00 0.00 H new ATOM 0 HA ALA A 32 22.863 6.267 10.298 1.00 0.00 H new ATOM 0 HB1 ALA A 32 23.208 8.652 9.756 1.00 0.00 H new ATOM 0 HB2 ALA A 32 23.737 8.269 11.411 1.00 0.00 H new ATOM 0 HB3 ALA A 32 24.941 8.477 10.117 1.00 0.00 H new ATOM 472 N SER A 33 25.054 5.555 8.220 1.00 0.00 N ATOM 473 CA SER A 33 25.363 5.237 6.830 1.00 0.00 C ATOM 474 C SER A 33 25.754 3.770 6.685 1.00 0.00 C ATOM 475 O SER A 33 26.566 3.256 7.454 1.00 0.00 O ATOM 476 CB SER A 33 26.493 6.133 6.319 1.00 0.00 C ATOM 477 OG SER A 33 25.988 7.184 5.515 1.00 0.00 O ATOM 0 H SER A 33 25.653 5.090 8.902 1.00 0.00 H new ATOM 0 HA SER A 33 24.469 5.418 6.233 1.00 0.00 H new ATOM 0 HB2 SER A 33 27.041 6.549 7.164 1.00 0.00 H new ATOM 0 HB3 SER A 33 27.200 5.538 5.742 1.00 0.00 H new ATOM 0 HG SER A 33 26.730 7.743 5.203 1.00 0.00 H new ATOM 483 N SER A 34 25.171 3.102 5.695 1.00 0.00 N ATOM 484 CA SER A 34 25.455 1.694 5.448 1.00 0.00 C ATOM 485 C SER A 34 26.937 1.476 5.168 1.00 0.00 C ATOM 486 O SER A 34 27.506 0.452 5.546 1.00 0.00 O ATOM 487 CB SER A 34 24.625 1.186 4.269 1.00 0.00 C ATOM 488 OG SER A 34 23.385 1.867 4.186 1.00 0.00 O ATOM 0 H SER A 34 24.498 3.515 5.050 1.00 0.00 H new ATOM 0 HA SER A 34 25.187 1.134 6.344 1.00 0.00 H new ATOM 0 HB2 SER A 34 25.182 1.324 3.342 1.00 0.00 H new ATOM 0 HB3 SER A 34 24.449 0.116 4.379 1.00 0.00 H new ATOM 0 HG SER A 34 22.874 1.525 3.423 1.00 0.00 H new ATOM 494 N GLN A 35 27.555 2.447 4.502 1.00 0.00 N ATOM 495 CA GLN A 35 28.972 2.367 4.169 1.00 0.00 C ATOM 496 C GLN A 35 29.803 2.085 5.416 1.00 0.00 C ATOM 497 O GLN A 35 30.759 1.307 5.378 1.00 0.00 O ATOM 498 CB GLN A 35 29.432 3.668 3.507 1.00 0.00 C ATOM 499 CG GLN A 35 30.944 3.827 3.449 1.00 0.00 C ATOM 500 CD GLN A 35 31.423 5.101 4.116 1.00 0.00 C ATOM 501 OE1 GLN A 35 31.583 6.134 3.465 1.00 0.00 O ATOM 502 NE2 GLN A 35 31.655 5.035 5.421 1.00 0.00 N ATOM 0 H GLN A 35 27.095 3.299 4.182 1.00 0.00 H new ATOM 0 HA GLN A 35 29.116 1.545 3.468 1.00 0.00 H new ATOM 0 HB2 GLN A 35 29.033 3.710 2.494 1.00 0.00 H new ATOM 0 HB3 GLN A 35 29.008 4.512 4.052 1.00 0.00 H new ATOM 0 HG2 GLN A 35 31.414 2.970 3.931 1.00 0.00 H new ATOM 0 HG3 GLN A 35 31.266 3.823 2.408 1.00 0.00 H new ATOM 0 HE21 GLN A 35 31.509 4.158 5.921 1.00 0.00 H new ATOM 0 HE22 GLN A 35 31.979 5.861 5.924 1.00 0.00 H new ATOM 511 N ALA A 36 29.426 2.715 6.522 1.00 0.00 N ATOM 512 CA ALA A 36 30.129 2.527 7.784 1.00 0.00 C ATOM 513 C ALA A 36 30.005 1.086 8.260 1.00 0.00 C ATOM 514 O ALA A 36 30.957 0.510 8.787 1.00 0.00 O ATOM 515 CB ALA A 36 29.590 3.484 8.838 1.00 0.00 C ATOM 0 H ALA A 36 28.638 3.360 6.570 1.00 0.00 H new ATOM 0 HA ALA A 36 31.185 2.744 7.624 1.00 0.00 H new ATOM 0 HB1 ALA A 36 30.125 3.332 9.775 1.00 0.00 H new ATOM 0 HB2 ALA A 36 29.731 4.512 8.503 1.00 0.00 H new ATOM 0 HB3 ALA A 36 28.528 3.295 8.992 1.00 0.00 H new ATOM 521 N CYS A 37 28.826 0.507 8.061 1.00 0.00 N ATOM 522 CA CYS A 37 28.575 -0.872 8.461 1.00 0.00 C ATOM 523 C CYS A 37 29.400 -1.834 7.615 1.00 0.00 C ATOM 524 O CYS A 37 29.749 -2.928 8.060 1.00 0.00 O ATOM 525 CB CYS A 37 27.088 -1.204 8.326 1.00 0.00 C ATOM 526 SG CYS A 37 26.651 -2.885 8.872 1.00 0.00 S ATOM 0 H CYS A 37 28.029 0.971 7.625 1.00 0.00 H new ATOM 0 HA CYS A 37 28.869 -0.983 9.505 1.00 0.00 H new ATOM 0 HB2 CYS A 37 26.511 -0.483 8.906 1.00 0.00 H new ATOM 0 HB3 CYS A 37 26.793 -1.083 7.284 1.00 0.00 H new ATOM 531 N GLN A 38 29.710 -1.416 6.393 1.00 0.00 N ATOM 532 CA GLN A 38 30.498 -2.236 5.481 1.00 0.00 C ATOM 533 C GLN A 38 31.935 -2.362 5.972 1.00 0.00 C ATOM 534 O GLN A 38 32.502 -3.453 5.989 1.00 0.00 O ATOM 535 CB GLN A 38 30.477 -1.631 4.076 1.00 0.00 C ATOM 536 CG GLN A 38 29.098 -1.621 3.439 1.00 0.00 C ATOM 537 CD GLN A 38 29.101 -1.016 2.049 1.00 0.00 C ATOM 538 OE1 GLN A 38 29.799 -1.491 1.153 1.00 0.00 O ATOM 539 NE2 GLN A 38 28.318 0.041 1.863 1.00 0.00 N ATOM 0 H GLN A 38 29.427 -0.513 6.011 1.00 0.00 H new ATOM 0 HA GLN A 38 30.056 -3.232 5.447 1.00 0.00 H new ATOM 0 HB2 GLN A 38 30.853 -0.609 4.124 1.00 0.00 H new ATOM 0 HB3 GLN A 38 31.159 -2.192 3.437 1.00 0.00 H new ATOM 0 HG2 GLN A 38 28.719 -2.642 3.386 1.00 0.00 H new ATOM 0 HG3 GLN A 38 28.413 -1.059 4.074 1.00 0.00 H new ATOM 0 HE21 GLN A 38 27.756 0.401 2.634 1.00 0.00 H new ATOM 0 HE22 GLN A 38 28.279 0.492 0.949 1.00 0.00 H new ATOM 548 N GLU A 39 32.518 -1.235 6.370 1.00 0.00 N ATOM 549 CA GLU A 39 33.891 -1.216 6.862 1.00 0.00 C ATOM 550 C GLU A 39 34.026 -2.047 8.133 1.00 0.00 C ATOM 551 O GLU A 39 35.002 -2.778 8.308 1.00 0.00 O ATOM 552 CB GLU A 39 34.341 0.222 7.126 1.00 0.00 C ATOM 553 CG GLU A 39 35.020 0.877 5.935 1.00 0.00 C ATOM 554 CD GLU A 39 36.532 0.788 6.003 1.00 0.00 C ATOM 555 OE1 GLU A 39 37.073 -0.317 5.787 1.00 0.00 O ATOM 556 OE2 GLU A 39 37.176 1.824 6.272 1.00 0.00 O ATOM 0 H GLU A 39 32.061 -0.323 6.361 1.00 0.00 H new ATOM 0 HA GLU A 39 34.531 -1.654 6.096 1.00 0.00 H new ATOM 0 HB2 GLU A 39 33.474 0.818 7.412 1.00 0.00 H new ATOM 0 HB3 GLU A 39 35.027 0.229 7.973 1.00 0.00 H new ATOM 0 HG2 GLU A 39 34.673 0.402 5.017 1.00 0.00 H new ATOM 0 HG3 GLU A 39 34.724 1.925 5.884 1.00 0.00 H new ATOM 563 N LEU A 40 33.040 -1.933 9.016 1.00 0.00 N ATOM 564 CA LEU A 40 33.049 -2.677 10.270 1.00 0.00 C ATOM 565 C LEU A 40 32.895 -4.173 10.008 1.00 0.00 C ATOM 566 O LEU A 40 33.570 -4.996 10.627 1.00 0.00 O ATOM 567 CB LEU A 40 31.932 -2.174 11.195 1.00 0.00 C ATOM 568 CG LEU A 40 30.934 -3.235 11.673 1.00 0.00 C ATOM 569 CD1 LEU A 40 30.932 -3.319 13.191 1.00 0.00 C ATOM 570 CD2 LEU A 40 29.540 -2.927 11.152 1.00 0.00 C ATOM 0 H LEU A 40 32.225 -1.333 8.887 1.00 0.00 H new ATOM 0 HA LEU A 40 34.008 -2.514 10.763 1.00 0.00 H new ATOM 0 HB2 LEU A 40 32.390 -1.713 12.070 1.00 0.00 H new ATOM 0 HB3 LEU A 40 31.380 -1.391 10.675 1.00 0.00 H new ATOM 0 HG LEU A 40 31.242 -4.202 11.277 1.00 0.00 H new ATOM 0 HD11 LEU A 40 30.218 -4.077 13.513 1.00 0.00 H new ATOM 0 HD12 LEU A 40 31.929 -3.587 13.542 1.00 0.00 H new ATOM 0 HD13 LEU A 40 30.648 -2.353 13.608 1.00 0.00 H new ATOM 0 HD21 LEU A 40 28.844 -3.690 11.501 1.00 0.00 H new ATOM 0 HD22 LEU A 40 29.222 -1.951 11.519 1.00 0.00 H new ATOM 0 HD23 LEU A 40 29.553 -2.918 10.062 1.00 0.00 H new ATOM 582 N CYS A 41 32.002 -4.513 9.084 1.00 0.00 N ATOM 583 CA CYS A 41 31.754 -5.906 8.735 1.00 0.00 C ATOM 584 C CYS A 41 33.006 -6.548 8.143 1.00 0.00 C ATOM 585 O CYS A 41 33.250 -7.740 8.329 1.00 0.00 O ATOM 586 CB CYS A 41 30.595 -6.004 7.742 1.00 0.00 C ATOM 587 SG CYS A 41 30.656 -7.470 6.663 1.00 0.00 S ATOM 0 H CYS A 41 31.438 -3.841 8.563 1.00 0.00 H new ATOM 0 HA CYS A 41 31.489 -6.444 9.645 1.00 0.00 H new ATOM 0 HB2 CYS A 41 29.657 -6.014 8.296 1.00 0.00 H new ATOM 0 HB3 CYS A 41 30.588 -5.109 7.120 1.00 0.00 H new ATOM 592 N GLU A 42 33.795 -5.749 7.432 1.00 0.00 N ATOM 593 CA GLU A 42 35.023 -6.238 6.814 1.00 0.00 C ATOM 594 C GLU A 42 36.034 -6.659 7.874 1.00 0.00 C ATOM 595 O GLU A 42 36.824 -7.580 7.662 1.00 0.00 O ATOM 596 CB GLU A 42 35.629 -5.163 5.911 1.00 0.00 C ATOM 597 CG GLU A 42 35.751 -5.587 4.457 1.00 0.00 C ATOM 598 CD GLU A 42 36.922 -6.520 4.217 1.00 0.00 C ATOM 599 OE1 GLU A 42 36.810 -7.713 4.567 1.00 0.00 O ATOM 600 OE2 GLU A 42 37.950 -6.057 3.681 1.00 0.00 O ATOM 0 H GLU A 42 33.606 -4.760 7.269 1.00 0.00 H new ATOM 0 HA GLU A 42 34.774 -7.110 6.209 1.00 0.00 H new ATOM 0 HB2 GLU A 42 35.015 -4.264 5.968 1.00 0.00 H new ATOM 0 HB3 GLU A 42 36.617 -4.899 6.288 1.00 0.00 H new ATOM 0 HG2 GLU A 42 34.829 -6.080 4.148 1.00 0.00 H new ATOM 0 HG3 GLU A 42 35.864 -4.701 3.832 1.00 0.00 H new ATOM 607 N LYS A 43 36.004 -5.979 9.016 1.00 0.00 N ATOM 608 CA LYS A 43 36.919 -6.281 10.111 1.00 0.00 C ATOM 609 C LYS A 43 36.590 -7.635 10.734 1.00 0.00 C ATOM 610 O LYS A 43 37.449 -8.273 11.343 1.00 0.00 O ATOM 611 CB LYS A 43 36.851 -5.185 11.177 1.00 0.00 C ATOM 612 CG LYS A 43 36.982 -3.780 10.614 1.00 0.00 C ATOM 613 CD LYS A 43 38.437 -3.348 10.527 1.00 0.00 C ATOM 614 CE LYS A 43 38.609 -2.149 9.607 1.00 0.00 C ATOM 615 NZ LYS A 43 38.310 -2.490 8.188 1.00 0.00 N ATOM 0 H LYS A 43 35.356 -5.215 9.207 1.00 0.00 H new ATOM 0 HA LYS A 43 37.931 -6.322 9.707 1.00 0.00 H new ATOM 0 HB2 LYS A 43 35.904 -5.267 11.710 1.00 0.00 H new ATOM 0 HB3 LYS A 43 37.643 -5.350 11.907 1.00 0.00 H new ATOM 0 HG2 LYS A 43 36.530 -3.740 9.623 1.00 0.00 H new ATOM 0 HG3 LYS A 43 36.431 -3.082 11.244 1.00 0.00 H new ATOM 0 HD2 LYS A 43 38.804 -3.099 11.523 1.00 0.00 H new ATOM 0 HD3 LYS A 43 39.043 -4.178 10.162 1.00 0.00 H new ATOM 0 HE2 LYS A 43 37.951 -1.344 9.933 1.00 0.00 H new ATOM 0 HE3 LYS A 43 39.631 -1.776 9.683 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 38.763 -1.794 7.561 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 38.677 -3.439 7.974 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 37.281 -2.475 8.037 1.00 0.00 H new ATOM 629 N ASP A 44 35.342 -8.064 10.578 1.00 0.00 N ATOM 630 CA ASP A 44 34.899 -9.342 11.124 1.00 0.00 C ATOM 631 C ASP A 44 35.271 -10.492 10.194 1.00 0.00 C ATOM 632 O ASP A 44 35.962 -10.294 9.194 1.00 0.00 O ATOM 633 CB ASP A 44 33.386 -9.325 11.352 1.00 0.00 C ATOM 634 CG ASP A 44 33.024 -9.176 12.817 1.00 0.00 C ATOM 635 OD1 ASP A 44 33.569 -8.265 13.474 1.00 0.00 O ATOM 636 OD2 ASP A 44 32.196 -9.972 13.307 1.00 0.00 O ATOM 0 H ASP A 44 34.620 -7.546 10.078 1.00 0.00 H new ATOM 0 HA ASP A 44 35.403 -9.494 12.078 1.00 0.00 H new ATOM 0 HB2 ASP A 44 32.945 -8.504 10.786 1.00 0.00 H new ATOM 0 HB3 ASP A 44 32.953 -10.247 10.965 1.00 0.00 H new ATOM 641 N ALA A 45 34.809 -11.692 10.530 1.00 0.00 N ATOM 642 CA ALA A 45 35.093 -12.874 9.724 1.00 0.00 C ATOM 643 C ALA A 45 33.889 -13.808 9.677 1.00 0.00 C ATOM 644 O ALA A 45 34.005 -14.968 9.281 1.00 0.00 O ATOM 645 CB ALA A 45 36.310 -13.605 10.273 1.00 0.00 C ATOM 0 H ALA A 45 34.236 -11.872 11.355 1.00 0.00 H new ATOM 0 HA ALA A 45 35.306 -12.548 8.706 1.00 0.00 H new ATOM 0 HB1 ALA A 45 36.512 -14.485 9.663 1.00 0.00 H new ATOM 0 HB2 ALA A 45 37.174 -12.941 10.249 1.00 0.00 H new ATOM 0 HB3 ALA A 45 36.117 -13.912 11.301 1.00 0.00 H new ATOM 651 N LYS A 46 32.732 -13.294 10.083 1.00 0.00 N ATOM 652 CA LYS A 46 31.503 -14.079 10.088 1.00 0.00 C ATOM 653 C LYS A 46 30.347 -13.279 9.501 1.00 0.00 C ATOM 654 O LYS A 46 29.191 -13.697 9.570 1.00 0.00 O ATOM 655 CB LYS A 46 31.161 -14.520 11.511 1.00 0.00 C ATOM 656 CG LYS A 46 31.986 -15.700 11.998 1.00 0.00 C ATOM 657 CD LYS A 46 31.102 -16.880 12.372 1.00 0.00 C ATOM 658 CE LYS A 46 30.765 -16.876 13.853 1.00 0.00 C ATOM 659 NZ LYS A 46 31.283 -18.089 14.545 1.00 0.00 N ATOM 0 H LYS A 46 32.620 -12.335 10.413 1.00 0.00 H new ATOM 0 HA LYS A 46 31.662 -14.962 9.470 1.00 0.00 H new ATOM 0 HB2 LYS A 46 31.310 -13.679 12.189 1.00 0.00 H new ATOM 0 HB3 LYS A 46 30.104 -14.783 11.557 1.00 0.00 H new ATOM 0 HG2 LYS A 46 32.687 -16.001 11.220 1.00 0.00 H new ATOM 0 HG3 LYS A 46 32.579 -15.399 12.862 1.00 0.00 H new ATOM 0 HD2 LYS A 46 30.182 -16.846 11.788 1.00 0.00 H new ATOM 0 HD3 LYS A 46 31.608 -17.811 12.115 1.00 0.00 H new ATOM 0 HE2 LYS A 46 31.186 -15.985 14.319 1.00 0.00 H new ATOM 0 HE3 LYS A 46 29.684 -16.820 13.979 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 31.032 -18.047 15.553 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 30.862 -18.939 14.118 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 32.318 -18.129 14.447 1.00 0.00 H new ATOM 673 N CYS A 47 30.665 -12.124 8.929 1.00 0.00 N ATOM 674 CA CYS A 47 29.651 -11.261 8.333 1.00 0.00 C ATOM 675 C CYS A 47 29.469 -11.568 6.850 1.00 0.00 C ATOM 676 O CYS A 47 30.327 -11.243 6.029 1.00 0.00 O ATOM 677 CB CYS A 47 30.031 -9.791 8.515 1.00 0.00 C ATOM 678 SG CYS A 47 29.172 -8.656 7.377 1.00 0.00 S ATOM 0 H CYS A 47 31.617 -11.763 8.865 1.00 0.00 H new ATOM 0 HA CYS A 47 28.707 -11.454 8.842 1.00 0.00 H new ATOM 0 HB2 CYS A 47 29.813 -9.494 9.541 1.00 0.00 H new ATOM 0 HB3 CYS A 47 31.107 -9.684 8.375 1.00 0.00 H new ATOM 683 N ARG A 48 28.342 -12.185 6.513 1.00 0.00 N ATOM 684 CA ARG A 48 28.039 -12.526 5.128 1.00 0.00 C ATOM 685 C ARG A 48 27.071 -11.510 4.531 1.00 0.00 C ATOM 686 O ARG A 48 27.096 -11.241 3.331 1.00 0.00 O ATOM 687 CB ARG A 48 27.444 -13.932 5.042 1.00 0.00 C ATOM 688 CG ARG A 48 28.278 -14.896 4.215 1.00 0.00 C ATOM 689 CD ARG A 48 27.825 -16.334 4.407 1.00 0.00 C ATOM 690 NE ARG A 48 27.167 -16.865 3.217 1.00 0.00 N ATOM 691 CZ ARG A 48 27.279 -18.127 2.813 1.00 0.00 C ATOM 692 NH1 ARG A 48 28.021 -18.984 3.501 1.00 0.00 N ATOM 693 NH2 ARG A 48 26.648 -18.532 1.720 1.00 0.00 N ATOM 0 H ARG A 48 27.622 -12.460 7.181 1.00 0.00 H new ATOM 0 HA ARG A 48 28.967 -12.504 4.557 1.00 0.00 H new ATOM 0 HB2 ARG A 48 27.333 -14.333 6.050 1.00 0.00 H new ATOM 0 HB3 ARG A 48 26.444 -13.869 4.612 1.00 0.00 H new ATOM 0 HG2 ARG A 48 28.206 -14.629 3.161 1.00 0.00 H new ATOM 0 HG3 ARG A 48 29.327 -14.804 4.496 1.00 0.00 H new ATOM 0 HD2 ARG A 48 28.686 -16.955 4.652 1.00 0.00 H new ATOM 0 HD3 ARG A 48 27.141 -16.388 5.254 1.00 0.00 H new ATOM 0 HE ARG A 48 26.589 -16.232 2.664 1.00 0.00 H new ATOM 0 HH11 ARG A 48 28.508 -18.676 4.343 1.00 0.00 H new ATOM 0 HH12 ARG A 48 28.105 -19.951 3.189 1.00 0.00 H new ATOM 0 HH21 ARG A 48 26.076 -17.876 1.188 1.00 0.00 H new ATOM 0 HH22 ARG A 48 26.734 -19.500 1.410 1.00 0.00 H new ATOM 707 N PHE A 49 26.224 -10.946 5.387 1.00 0.00 N ATOM 708 CA PHE A 49 25.246 -9.951 4.962 1.00 0.00 C ATOM 709 C PHE A 49 25.245 -8.764 5.918 1.00 0.00 C ATOM 710 O PHE A 49 26.018 -8.729 6.875 1.00 0.00 O ATOM 711 CB PHE A 49 23.846 -10.568 4.896 1.00 0.00 C ATOM 712 CG PHE A 49 23.777 -11.828 4.081 1.00 0.00 C ATOM 713 CD1 PHE A 49 24.040 -11.806 2.720 1.00 0.00 C ATOM 714 CD2 PHE A 49 23.446 -13.034 4.675 1.00 0.00 C ATOM 715 CE1 PHE A 49 23.976 -12.963 1.969 1.00 0.00 C ATOM 716 CE2 PHE A 49 23.380 -14.196 3.929 1.00 0.00 C ATOM 717 CZ PHE A 49 23.645 -14.160 2.574 1.00 0.00 C ATOM 0 H PHE A 49 26.196 -11.163 6.383 1.00 0.00 H new ATOM 0 HA PHE A 49 25.524 -9.603 3.967 1.00 0.00 H new ATOM 0 HB2 PHE A 49 23.505 -10.782 5.909 1.00 0.00 H new ATOM 0 HB3 PHE A 49 23.156 -9.836 4.476 1.00 0.00 H new ATOM 0 HD1 PHE A 49 24.298 -10.873 2.241 1.00 0.00 H new ATOM 0 HD2 PHE A 49 23.237 -13.067 5.734 1.00 0.00 H new ATOM 0 HE1 PHE A 49 24.184 -12.932 0.910 1.00 0.00 H new ATOM 0 HE2 PHE A 49 23.122 -15.130 4.405 1.00 0.00 H new ATOM 0 HZ PHE A 49 23.594 -15.066 1.988 1.00 0.00 H new ATOM 727 N PHE A 50 24.373 -7.795 5.659 1.00 0.00 N ATOM 728 CA PHE A 50 24.277 -6.611 6.506 1.00 0.00 C ATOM 729 C PHE A 50 22.908 -5.952 6.372 1.00 0.00 C ATOM 730 O PHE A 50 22.227 -6.115 5.359 1.00 0.00 O ATOM 731 CB PHE A 50 25.386 -5.613 6.153 1.00 0.00 C ATOM 732 CG PHE A 50 25.004 -4.627 5.084 1.00 0.00 C ATOM 733 CD1 PHE A 50 24.976 -5.006 3.751 1.00 0.00 C ATOM 734 CD2 PHE A 50 24.673 -3.323 5.413 1.00 0.00 C ATOM 735 CE1 PHE A 50 24.625 -4.100 2.767 1.00 0.00 C ATOM 736 CE2 PHE A 50 24.320 -2.414 4.434 1.00 0.00 C ATOM 737 CZ PHE A 50 24.297 -2.803 3.110 1.00 0.00 C ATOM 0 H PHE A 50 23.724 -7.806 4.872 1.00 0.00 H new ATOM 0 HA PHE A 50 24.402 -6.924 7.543 1.00 0.00 H new ATOM 0 HB2 PHE A 50 25.669 -5.066 7.053 1.00 0.00 H new ATOM 0 HB3 PHE A 50 26.267 -6.165 5.826 1.00 0.00 H new ATOM 0 HD1 PHE A 50 25.231 -6.019 3.478 1.00 0.00 H new ATOM 0 HD2 PHE A 50 24.691 -3.013 6.447 1.00 0.00 H new ATOM 0 HE1 PHE A 50 24.607 -4.406 1.731 1.00 0.00 H new ATOM 0 HE2 PHE A 50 24.062 -1.401 4.704 1.00 0.00 H new ATOM 0 HZ PHE A 50 24.023 -2.094 2.343 1.00 0.00 H new ATOM 747 N THR A 51 22.511 -5.210 7.400 1.00 0.00 N ATOM 748 CA THR A 51 21.224 -4.528 7.397 1.00 0.00 C ATOM 749 C THR A 51 21.258 -3.284 8.282 1.00 0.00 C ATOM 750 O THR A 51 21.175 -3.377 9.508 1.00 0.00 O ATOM 751 CB THR A 51 20.095 -5.467 7.870 1.00 0.00 C ATOM 752 OG1 THR A 51 19.842 -6.464 6.872 1.00 0.00 O ATOM 753 CG2 THR A 51 18.816 -4.693 8.150 1.00 0.00 C ATOM 0 H THR A 51 23.063 -5.066 8.246 1.00 0.00 H new ATOM 0 HA THR A 51 21.023 -4.225 6.370 1.00 0.00 H new ATOM 0 HB THR A 51 20.418 -5.944 8.795 1.00 0.00 H new ATOM 0 HG1 THR A 51 20.521 -6.402 6.168 1.00 0.00 H new ATOM 0 HG21 THR A 51 18.039 -5.382 8.481 1.00 0.00 H new ATOM 0 HG22 THR A 51 19.001 -3.953 8.929 1.00 0.00 H new ATOM 0 HG23 THR A 51 18.490 -4.188 7.241 1.00 0.00 H new ATOM 761 N LEU A 52 21.381 -2.121 7.649 1.00 0.00 N ATOM 762 CA LEU A 52 21.426 -0.852 8.369 1.00 0.00 C ATOM 763 C LEU A 52 20.021 -0.275 8.526 1.00 0.00 C ATOM 764 O LEU A 52 19.101 -0.656 7.803 1.00 0.00 O ATOM 765 CB LEU A 52 22.325 0.142 7.628 1.00 0.00 C ATOM 766 CG LEU A 52 22.552 1.475 8.344 1.00 0.00 C ATOM 767 CD1 LEU A 52 23.967 1.549 8.896 1.00 0.00 C ATOM 768 CD2 LEU A 52 22.283 2.638 7.402 1.00 0.00 C ATOM 0 H LEU A 52 21.452 -2.031 6.635 1.00 0.00 H new ATOM 0 HA LEU A 52 21.839 -1.031 9.362 1.00 0.00 H new ATOM 0 HB2 LEU A 52 23.293 -0.328 7.454 1.00 0.00 H new ATOM 0 HB3 LEU A 52 21.888 0.343 6.650 1.00 0.00 H new ATOM 0 HG LEU A 52 21.854 1.542 9.179 1.00 0.00 H new ATOM 0 HD11 LEU A 52 24.111 2.504 9.402 1.00 0.00 H new ATOM 0 HD12 LEU A 52 24.124 0.736 9.604 1.00 0.00 H new ATOM 0 HD13 LEU A 52 24.682 1.461 8.078 1.00 0.00 H new ATOM 0 HD21 LEU A 52 22.449 3.578 7.928 1.00 0.00 H new ATOM 0 HD22 LEU A 52 22.956 2.577 6.547 1.00 0.00 H new ATOM 0 HD23 LEU A 52 21.251 2.594 7.055 1.00 0.00 H new ATOM 780 N ALA A 53 19.861 0.642 9.477 1.00 0.00 N ATOM 781 CA ALA A 53 18.565 1.265 9.724 1.00 0.00 C ATOM 782 C ALA A 53 18.687 2.780 9.819 1.00 0.00 C ATOM 783 O ALA A 53 18.013 3.418 10.629 1.00 0.00 O ATOM 784 CB ALA A 53 17.945 0.705 10.993 1.00 0.00 C ATOM 0 H ALA A 53 20.610 0.969 10.087 1.00 0.00 H new ATOM 0 HA ALA A 53 17.915 1.034 8.880 1.00 0.00 H new ATOM 0 HB1 ALA A 53 16.978 1.179 11.165 1.00 0.00 H new ATOM 0 HB2 ALA A 53 17.808 -0.371 10.887 1.00 0.00 H new ATOM 0 HB3 ALA A 53 18.603 0.905 11.839 1.00 0.00 H new ATOM 790 N SER A 54 19.549 3.351 8.982 1.00 0.00 N ATOM 791 CA SER A 54 19.765 4.796 8.958 1.00 0.00 C ATOM 792 C SER A 54 20.362 5.296 10.273 1.00 0.00 C ATOM 793 O SER A 54 20.654 6.483 10.417 1.00 0.00 O ATOM 794 CB SER A 54 18.452 5.523 8.673 1.00 0.00 C ATOM 795 OG SER A 54 18.610 6.927 8.772 1.00 0.00 O ATOM 0 H SER A 54 20.112 2.833 8.308 1.00 0.00 H new ATOM 0 HA SER A 54 20.477 5.011 8.161 1.00 0.00 H new ATOM 0 HB2 SER A 54 18.100 5.264 7.675 1.00 0.00 H new ATOM 0 HB3 SER A 54 17.689 5.190 9.377 1.00 0.00 H new ATOM 0 HG SER A 54 19.433 7.130 9.264 1.00 0.00 H new ATOM 801 N GLY A 55 20.542 4.388 11.225 1.00 0.00 N ATOM 802 CA GLY A 55 21.102 4.759 12.509 1.00 0.00 C ATOM 803 C GLY A 55 21.590 3.560 13.296 1.00 0.00 C ATOM 804 O GLY A 55 22.190 3.710 14.361 1.00 0.00 O ATOM 0 H GLY A 55 20.309 3.400 11.129 1.00 0.00 H new ATOM 0 HA2 GLY A 55 21.931 5.450 12.355 1.00 0.00 H new ATOM 0 HA3 GLY A 55 20.348 5.290 13.091 1.00 0.00 H new ATOM 808 N LYS A 56 21.335 2.367 12.771 1.00 0.00 N ATOM 809 CA LYS A 56 21.753 1.134 13.428 1.00 0.00 C ATOM 810 C LYS A 56 21.971 0.023 12.407 1.00 0.00 C ATOM 811 O LYS A 56 21.033 -0.413 11.741 1.00 0.00 O ATOM 812 CB LYS A 56 20.709 0.698 14.457 1.00 0.00 C ATOM 813 CG LYS A 56 21.246 -0.280 15.488 1.00 0.00 C ATOM 814 CD LYS A 56 20.261 -0.483 16.629 1.00 0.00 C ATOM 815 CE LYS A 56 20.408 -1.860 17.255 1.00 0.00 C ATOM 816 NZ LYS A 56 21.658 -1.977 18.055 1.00 0.00 N ATOM 0 H LYS A 56 20.840 2.227 11.890 1.00 0.00 H new ATOM 0 HA LYS A 56 22.697 1.326 13.939 1.00 0.00 H new ATOM 0 HB2 LYS A 56 20.325 1.580 14.970 1.00 0.00 H new ATOM 0 HB3 LYS A 56 19.867 0.240 13.937 1.00 0.00 H new ATOM 0 HG2 LYS A 56 21.453 -1.237 15.010 1.00 0.00 H new ATOM 0 HG3 LYS A 56 22.192 0.090 15.884 1.00 0.00 H new ATOM 0 HD2 LYS A 56 20.421 0.282 17.389 1.00 0.00 H new ATOM 0 HD3 LYS A 56 19.243 -0.357 16.259 1.00 0.00 H new ATOM 0 HE2 LYS A 56 19.548 -2.062 17.894 1.00 0.00 H new ATOM 0 HE3 LYS A 56 20.407 -2.617 16.471 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 21.861 -2.981 18.236 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 22.448 -1.553 17.528 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 21.539 -1.479 18.960 1.00 0.00 H new ATOM 830 N CYS A 57 23.215 -0.428 12.292 1.00 0.00 N ATOM 831 CA CYS A 57 23.557 -1.488 11.354 1.00 0.00 C ATOM 832 C CYS A 57 23.567 -2.845 12.047 1.00 0.00 C ATOM 833 O CYS A 57 23.735 -2.929 13.263 1.00 0.00 O ATOM 834 CB CYS A 57 24.925 -1.216 10.722 1.00 0.00 C ATOM 835 SG CYS A 57 26.082 -2.623 10.801 1.00 0.00 S ATOM 0 H CYS A 57 24.002 -0.076 12.837 1.00 0.00 H new ATOM 0 HA CYS A 57 22.799 -1.505 10.571 1.00 0.00 H new ATOM 0 HB2 CYS A 57 24.781 -0.938 9.678 1.00 0.00 H new ATOM 0 HB3 CYS A 57 25.379 -0.359 11.221 1.00 0.00 H new ATOM 840 N SER A 58 23.388 -3.902 11.265 1.00 0.00 N ATOM 841 CA SER A 58 23.380 -5.259 11.796 1.00 0.00 C ATOM 842 C SER A 58 23.725 -6.262 10.704 1.00 0.00 C ATOM 843 O SER A 58 22.955 -6.456 9.764 1.00 0.00 O ATOM 844 CB SER A 58 22.015 -5.594 12.396 1.00 0.00 C ATOM 845 OG SER A 58 21.616 -4.617 13.342 1.00 0.00 O ATOM 0 H SER A 58 23.246 -3.845 10.257 1.00 0.00 H new ATOM 0 HA SER A 58 24.133 -5.320 12.581 1.00 0.00 H new ATOM 0 HB2 SER A 58 21.272 -5.659 11.601 1.00 0.00 H new ATOM 0 HB3 SER A 58 22.056 -6.572 12.875 1.00 0.00 H new ATOM 0 HG SER A 58 20.739 -4.856 13.709 1.00 0.00 H new ATOM 851 N LEU A 59 24.881 -6.902 10.832 1.00 0.00 N ATOM 852 CA LEU A 59 25.312 -7.887 9.851 1.00 0.00 C ATOM 853 C LEU A 59 24.846 -9.280 10.258 1.00 0.00 C ATOM 854 O LEU A 59 24.768 -9.594 11.445 1.00 0.00 O ATOM 855 CB LEU A 59 26.834 -7.861 9.685 1.00 0.00 C ATOM 856 CG LEU A 59 27.621 -7.384 10.908 1.00 0.00 C ATOM 857 CD1 LEU A 59 28.457 -8.520 11.472 1.00 0.00 C ATOM 858 CD2 LEU A 59 28.503 -6.201 10.546 1.00 0.00 C ATOM 0 H LEU A 59 25.533 -6.757 11.602 1.00 0.00 H new ATOM 0 HA LEU A 59 24.860 -7.633 8.892 1.00 0.00 H new ATOM 0 HB2 LEU A 59 27.171 -8.865 9.426 1.00 0.00 H new ATOM 0 HB3 LEU A 59 27.079 -7.215 8.842 1.00 0.00 H new ATOM 0 HG LEU A 59 26.914 -7.062 11.672 1.00 0.00 H new ATOM 0 HD11 LEU A 59 29.012 -8.167 12.341 1.00 0.00 H new ATOM 0 HD12 LEU A 59 27.803 -9.341 11.767 1.00 0.00 H new ATOM 0 HD13 LEU A 59 29.157 -8.869 10.712 1.00 0.00 H new ATOM 0 HD21 LEU A 59 29.055 -5.875 11.428 1.00 0.00 H new ATOM 0 HD22 LEU A 59 29.206 -6.496 9.767 1.00 0.00 H new ATOM 0 HD23 LEU A 59 27.882 -5.382 10.184 1.00 0.00 H new ATOM 870 N PHE A 60 24.523 -10.104 9.269 1.00 0.00 N ATOM 871 CA PHE A 60 24.048 -11.458 9.532 1.00 0.00 C ATOM 872 C PHE A 60 24.803 -12.481 8.692 1.00 0.00 C ATOM 873 O PHE A 60 24.903 -12.349 7.472 1.00 0.00 O ATOM 874 CB PHE A 60 22.546 -11.546 9.254 1.00 0.00 C ATOM 875 CG PHE A 60 21.755 -10.467 9.938 1.00 0.00 C ATOM 876 CD1 PHE A 60 21.424 -10.578 11.278 1.00 0.00 C ATOM 877 CD2 PHE A 60 21.352 -9.336 9.243 1.00 0.00 C ATOM 878 CE1 PHE A 60 20.708 -9.583 11.915 1.00 0.00 C ATOM 879 CE2 PHE A 60 20.632 -8.339 9.875 1.00 0.00 C ATOM 880 CZ PHE A 60 20.312 -8.462 11.212 1.00 0.00 C ATOM 0 H PHE A 60 24.581 -9.860 8.280 1.00 0.00 H new ATOM 0 HA PHE A 60 24.233 -11.687 10.582 1.00 0.00 H new ATOM 0 HB2 PHE A 60 22.378 -11.485 8.179 1.00 0.00 H new ATOM 0 HB3 PHE A 60 22.179 -12.519 9.580 1.00 0.00 H new ATOM 0 HD1 PHE A 60 21.729 -11.453 11.832 1.00 0.00 H new ATOM 0 HD2 PHE A 60 21.603 -9.233 8.198 1.00 0.00 H new ATOM 0 HE1 PHE A 60 20.458 -9.682 12.961 1.00 0.00 H new ATOM 0 HE2 PHE A 60 20.320 -7.465 9.323 1.00 0.00 H new ATOM 0 HZ PHE A 60 19.753 -7.683 11.708 1.00 0.00 H new ATOM 890 N ALA A 61 25.332 -13.504 9.358 1.00 0.00 N ATOM 891 CA ALA A 61 26.081 -14.555 8.683 1.00 0.00 C ATOM 892 C ALA A 61 25.172 -15.393 7.788 1.00 0.00 C ATOM 893 O ALA A 61 25.019 -15.105 6.601 1.00 0.00 O ATOM 894 CB ALA A 61 26.783 -15.438 9.705 1.00 0.00 C ATOM 0 H ALA A 61 25.254 -13.626 10.368 1.00 0.00 H new ATOM 0 HA ALA A 61 26.831 -14.084 8.048 1.00 0.00 H new ATOM 0 HB1 ALA A 61 27.340 -16.220 9.189 1.00 0.00 H new ATOM 0 HB2 ALA A 61 27.470 -14.834 10.297 1.00 0.00 H new ATOM 0 HB3 ALA A 61 26.042 -15.893 10.362 1.00 0.00 H new ATOM 900 N ASP A 62 24.571 -16.428 8.365 1.00 0.00 N ATOM 901 CA ASP A 62 23.678 -17.307 7.618 1.00 0.00 C ATOM 902 C ASP A 62 22.621 -17.915 8.534 1.00 0.00 C ATOM 903 O ASP A 62 22.749 -19.056 8.976 1.00 0.00 O ATOM 904 CB ASP A 62 24.477 -18.417 6.933 1.00 0.00 C ATOM 905 CG ASP A 62 23.720 -19.047 5.779 1.00 0.00 C ATOM 906 OD1 ASP A 62 23.216 -18.295 4.919 1.00 0.00 O ATOM 907 OD2 ASP A 62 23.631 -20.292 5.737 1.00 0.00 O ATOM 0 H ASP A 62 24.686 -16.679 9.347 1.00 0.00 H new ATOM 0 HA ASP A 62 23.173 -16.711 6.858 1.00 0.00 H new ATOM 0 HB2 ASP A 62 25.419 -18.009 6.567 1.00 0.00 H new ATOM 0 HB3 ASP A 62 24.725 -19.186 7.664 1.00 0.00 H new ATOM 912 N ASP A 63 21.575 -17.142 8.813 1.00 0.00 N ATOM 913 CA ASP A 63 20.493 -17.602 9.676 1.00 0.00 C ATOM 914 C ASP A 63 19.148 -17.077 9.185 1.00 0.00 C ATOM 915 O ASP A 63 19.075 -16.019 8.559 1.00 0.00 O ATOM 916 CB ASP A 63 20.735 -17.151 11.117 1.00 0.00 C ATOM 917 CG ASP A 63 20.274 -18.180 12.130 1.00 0.00 C ATOM 918 OD1 ASP A 63 19.057 -18.238 12.406 1.00 0.00 O ATOM 919 OD2 ASP A 63 21.130 -18.927 12.650 1.00 0.00 O ATOM 0 H ASP A 63 21.454 -16.195 8.454 1.00 0.00 H new ATOM 0 HA ASP A 63 20.472 -18.691 9.643 1.00 0.00 H new ATOM 0 HB2 ASP A 63 21.798 -16.955 11.260 1.00 0.00 H new ATOM 0 HB3 ASP A 63 20.211 -16.211 11.294 1.00 0.00 H new ATOM 924 N ALA A 64 18.086 -17.823 9.472 1.00 0.00 N ATOM 925 CA ALA A 64 16.744 -17.432 9.060 1.00 0.00 C ATOM 926 C ALA A 64 15.860 -17.143 10.268 1.00 0.00 C ATOM 927 O ALA A 64 15.254 -18.051 10.839 1.00 0.00 O ATOM 928 CB ALA A 64 16.120 -18.515 8.195 1.00 0.00 C ATOM 0 H ALA A 64 18.129 -18.702 9.988 1.00 0.00 H new ATOM 0 HA ALA A 64 16.824 -16.516 8.474 1.00 0.00 H new ATOM 0 HB1 ALA A 64 15.118 -18.209 7.895 1.00 0.00 H new ATOM 0 HB2 ALA A 64 16.733 -18.670 7.307 1.00 0.00 H new ATOM 0 HB3 ALA A 64 16.061 -19.444 8.762 1.00 0.00 H new ATOM 934 N ALA A 65 15.793 -15.873 10.649 1.00 0.00 N ATOM 935 CA ALA A 65 14.986 -15.454 11.789 1.00 0.00 C ATOM 936 C ALA A 65 14.890 -13.935 11.862 1.00 0.00 C ATOM 937 O ALA A 65 14.287 -13.384 12.783 1.00 0.00 O ATOM 938 CB ALA A 65 15.569 -16.008 13.080 1.00 0.00 C ATOM 0 H ALA A 65 16.289 -15.113 10.184 1.00 0.00 H new ATOM 0 HA ALA A 65 13.980 -15.852 11.657 1.00 0.00 H new ATOM 0 HB1 ALA A 65 14.957 -15.687 13.923 1.00 0.00 H new ATOM 0 HB2 ALA A 65 15.583 -17.097 13.035 1.00 0.00 H new ATOM 0 HB3 ALA A 65 16.586 -15.637 13.209 1.00 0.00 H new ATOM 944 N LEU A 66 15.490 -13.261 10.885 1.00 0.00 N ATOM 945 CA LEU A 66 15.474 -11.804 10.838 1.00 0.00 C ATOM 946 C LEU A 66 14.285 -11.295 10.030 1.00 0.00 C ATOM 947 O LEU A 66 14.186 -11.543 8.828 1.00 0.00 O ATOM 948 CB LEU A 66 16.778 -11.277 10.233 1.00 0.00 C ATOM 949 CG LEU A 66 17.283 -12.045 9.010 1.00 0.00 C ATOM 950 CD1 LEU A 66 17.549 -11.092 7.855 1.00 0.00 C ATOM 951 CD2 LEU A 66 18.538 -12.832 9.356 1.00 0.00 C ATOM 0 H LEU A 66 15.993 -13.702 10.115 1.00 0.00 H new ATOM 0 HA LEU A 66 15.379 -11.436 11.860 1.00 0.00 H new ATOM 0 HB2 LEU A 66 16.635 -10.233 9.954 1.00 0.00 H new ATOM 0 HB3 LEU A 66 17.551 -11.298 11.001 1.00 0.00 H new ATOM 0 HG LEU A 66 16.511 -12.750 8.702 1.00 0.00 H new ATOM 0 HD11 LEU A 66 17.908 -11.655 6.994 1.00 0.00 H new ATOM 0 HD12 LEU A 66 16.627 -10.574 7.591 1.00 0.00 H new ATOM 0 HD13 LEU A 66 18.303 -10.363 8.151 1.00 0.00 H new ATOM 0 HD21 LEU A 66 18.883 -13.372 8.474 1.00 0.00 H new ATOM 0 HD22 LEU A 66 19.317 -12.146 9.690 1.00 0.00 H new ATOM 0 HD23 LEU A 66 18.314 -13.542 10.152 1.00 0.00 H new ATOM 963 N ARG A 67 13.385 -10.583 10.700 1.00 0.00 N ATOM 964 CA ARG A 67 12.202 -10.035 10.049 1.00 0.00 C ATOM 965 C ARG A 67 12.163 -8.515 10.182 1.00 0.00 C ATOM 966 O ARG A 67 12.856 -7.940 11.021 1.00 0.00 O ATOM 967 CB ARG A 67 10.934 -10.642 10.651 1.00 0.00 C ATOM 968 CG ARG A 67 10.463 -11.900 9.940 1.00 0.00 C ATOM 969 CD ARG A 67 9.163 -12.422 10.530 1.00 0.00 C ATOM 970 NE ARG A 67 9.345 -12.945 11.881 1.00 0.00 N ATOM 971 CZ ARG A 67 8.351 -13.405 12.635 1.00 0.00 C ATOM 972 NH1 ARG A 67 7.108 -13.406 12.171 1.00 0.00 N ATOM 973 NH2 ARG A 67 8.599 -13.864 13.854 1.00 0.00 N ATOM 0 H ARG A 67 13.453 -10.372 11.696 1.00 0.00 H new ATOM 0 HA ARG A 67 12.251 -10.289 8.990 1.00 0.00 H new ATOM 0 HB2 ARG A 67 11.116 -10.875 11.700 1.00 0.00 H new ATOM 0 HB3 ARG A 67 10.137 -9.899 10.623 1.00 0.00 H new ATOM 0 HG2 ARG A 67 10.323 -11.689 8.880 1.00 0.00 H new ATOM 0 HG3 ARG A 67 11.231 -12.670 10.013 1.00 0.00 H new ATOM 0 HD2 ARG A 67 8.426 -11.620 10.548 1.00 0.00 H new ATOM 0 HD3 ARG A 67 8.763 -13.207 9.888 1.00 0.00 H new ATOM 0 HE ARG A 67 10.288 -12.958 12.269 1.00 0.00 H new ATOM 0 HH11 ARG A 67 6.913 -13.053 11.234 1.00 0.00 H new ATOM 0 HH12 ARG A 67 6.347 -13.759 12.751 1.00 0.00 H new ATOM 0 HH21 ARG A 67 9.553 -13.865 14.214 1.00 0.00 H new ATOM 0 HH22 ARG A 67 7.836 -14.217 14.431 1.00 0.00 H new ATOM 987 N PRO A 68 11.345 -7.839 9.357 1.00 0.00 N ATOM 988 CA PRO A 68 11.221 -6.379 9.391 1.00 0.00 C ATOM 989 C PRO A 68 10.548 -5.887 10.669 1.00 0.00 C ATOM 990 O PRO A 68 10.068 -6.685 11.475 1.00 0.00 O ATOM 991 CB PRO A 68 10.347 -6.068 8.174 1.00 0.00 C ATOM 992 CG PRO A 68 9.568 -7.315 7.939 1.00 0.00 C ATOM 993 CD PRO A 68 10.478 -8.445 8.331 1.00 0.00 C ATOM 0 HA PRO A 68 12.193 -5.886 9.371 1.00 0.00 H new ATOM 0 HB2 PRO A 68 9.689 -5.220 8.365 1.00 0.00 H new ATOM 0 HB3 PRO A 68 10.954 -5.811 7.306 1.00 0.00 H new ATOM 0 HG2 PRO A 68 8.655 -7.324 8.534 1.00 0.00 H new ATOM 0 HG3 PRO A 68 9.269 -7.398 6.894 1.00 0.00 H new ATOM 0 HD2 PRO A 68 9.919 -9.293 8.726 1.00 0.00 H new ATOM 0 HD3 PRO A 68 11.055 -8.811 7.481 1.00 0.00 H new ATOM 1001 N THR A 69 10.518 -4.570 10.850 1.00 0.00 N ATOM 1002 CA THR A 69 9.905 -3.975 12.033 1.00 0.00 C ATOM 1003 C THR A 69 9.357 -2.585 11.732 1.00 0.00 C ATOM 1004 O THR A 69 8.241 -2.248 12.126 1.00 0.00 O ATOM 1005 CB THR A 69 10.907 -3.878 13.199 1.00 0.00 C ATOM 1006 OG1 THR A 69 10.410 -2.982 14.200 1.00 0.00 O ATOM 1007 CG2 THR A 69 12.265 -3.396 12.710 1.00 0.00 C ATOM 0 H THR A 69 10.910 -3.895 10.193 1.00 0.00 H new ATOM 0 HA THR A 69 9.084 -4.630 12.323 1.00 0.00 H new ATOM 0 HB THR A 69 11.026 -4.873 13.628 1.00 0.00 H new ATOM 0 HG1 THR A 69 11.052 -2.927 14.938 1.00 0.00 H new ATOM 0 HG21 THR A 69 12.955 -3.336 13.552 1.00 0.00 H new ATOM 0 HG22 THR A 69 12.655 -4.096 11.971 1.00 0.00 H new ATOM 0 HG23 THR A 69 12.160 -2.411 12.256 1.00 0.00 H new ATOM 1015 N LYS A 70 10.150 -1.783 11.032 1.00 0.00 N ATOM 1016 CA LYS A 70 9.749 -0.427 10.676 1.00 0.00 C ATOM 1017 C LYS A 70 10.617 0.121 9.549 1.00 0.00 C ATOM 1018 O LYS A 70 11.841 -0.010 9.575 1.00 0.00 O ATOM 1019 CB LYS A 70 9.839 0.492 11.897 1.00 0.00 C ATOM 1020 CG LYS A 70 8.563 1.273 12.165 1.00 0.00 C ATOM 1021 CD LYS A 70 8.568 2.611 11.445 1.00 0.00 C ATOM 1022 CE LYS A 70 8.238 3.755 12.390 1.00 0.00 C ATOM 1023 NZ LYS A 70 9.448 4.258 13.097 1.00 0.00 N ATOM 0 H LYS A 70 11.077 -2.049 10.699 1.00 0.00 H new ATOM 0 HA LYS A 70 8.716 -0.461 10.330 1.00 0.00 H new ATOM 0 HB2 LYS A 70 10.080 -0.107 12.775 1.00 0.00 H new ATOM 0 HB3 LYS A 70 10.661 1.193 11.754 1.00 0.00 H new ATOM 0 HG2 LYS A 70 7.702 0.688 11.842 1.00 0.00 H new ATOM 0 HG3 LYS A 70 8.453 1.436 13.237 1.00 0.00 H new ATOM 0 HD2 LYS A 70 9.547 2.780 10.996 1.00 0.00 H new ATOM 0 HD3 LYS A 70 7.843 2.590 10.631 1.00 0.00 H new ATOM 0 HE2 LYS A 70 7.781 4.570 11.828 1.00 0.00 H new ATOM 0 HE3 LYS A 70 7.503 3.421 13.122 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 9.180 5.037 13.732 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 9.870 3.488 13.654 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 10.140 4.601 12.400 1.00 0.00 H new ATOM 1037 N SER A 71 9.976 0.733 8.558 1.00 0.00 N ATOM 1038 CA SER A 71 10.689 1.300 7.420 1.00 0.00 C ATOM 1039 C SER A 71 10.755 2.822 7.519 1.00 0.00 C ATOM 1040 O SER A 71 10.061 3.532 6.791 1.00 0.00 O ATOM 1041 CB SER A 71 10.012 0.890 6.111 1.00 0.00 C ATOM 1042 OG SER A 71 8.727 0.340 6.351 1.00 0.00 O ATOM 0 H SER A 71 8.963 0.849 8.521 1.00 0.00 H new ATOM 0 HA SER A 71 11.707 0.910 7.432 1.00 0.00 H new ATOM 0 HB2 SER A 71 9.923 1.757 5.457 1.00 0.00 H new ATOM 0 HB3 SER A 71 10.632 0.160 5.590 1.00 0.00 H new ATOM 0 HG SER A 71 8.315 0.088 5.498 1.00 0.00 H new ATOM 1048 N ASP A 72 11.595 3.314 8.424 1.00 0.00 N ATOM 1049 CA ASP A 72 11.754 4.751 8.618 1.00 0.00 C ATOM 1050 C ASP A 72 12.946 5.276 7.824 1.00 0.00 C ATOM 1051 O ASP A 72 13.364 6.421 7.998 1.00 0.00 O ATOM 1052 CB ASP A 72 11.933 5.069 10.104 1.00 0.00 C ATOM 1053 CG ASP A 72 11.340 6.412 10.483 1.00 0.00 C ATOM 1054 OD1 ASP A 72 10.123 6.603 10.279 1.00 0.00 O ATOM 1055 OD2 ASP A 72 12.094 7.274 10.981 1.00 0.00 O ATOM 0 H ASP A 72 12.176 2.739 9.034 1.00 0.00 H new ATOM 0 HA ASP A 72 10.853 5.245 8.255 1.00 0.00 H new ATOM 0 HB2 ASP A 72 11.463 4.286 10.699 1.00 0.00 H new ATOM 0 HB3 ASP A 72 12.995 5.062 10.349 1.00 0.00 H new ATOM 1060 N GLY A 73 13.489 4.429 6.955 1.00 0.00 N ATOM 1061 CA GLY A 73 14.628 4.822 6.146 1.00 0.00 C ATOM 1062 C GLY A 73 15.769 3.828 6.229 1.00 0.00 C ATOM 1063 O GLY A 73 16.915 4.160 5.923 1.00 0.00 O ATOM 0 H GLY A 73 13.160 3.477 6.797 1.00 0.00 H new ATOM 0 HA2 GLY A 73 14.314 4.924 5.107 1.00 0.00 H new ATOM 0 HA3 GLY A 73 14.979 5.802 6.470 1.00 0.00 H new ATOM 1067 N ALA A 74 15.455 2.605 6.645 1.00 0.00 N ATOM 1068 CA ALA A 74 16.463 1.557 6.769 1.00 0.00 C ATOM 1069 C ALA A 74 16.948 1.095 5.401 1.00 0.00 C ATOM 1070 O ALA A 74 16.236 1.220 4.404 1.00 0.00 O ATOM 1071 CB ALA A 74 15.907 0.379 7.549 1.00 0.00 C ATOM 0 H ALA A 74 14.511 2.315 6.902 1.00 0.00 H new ATOM 0 HA ALA A 74 17.313 1.973 7.309 1.00 0.00 H new ATOM 0 HB1 ALA A 74 16.670 -0.395 7.633 1.00 0.00 H new ATOM 0 HB2 ALA A 74 15.613 0.709 8.545 1.00 0.00 H new ATOM 0 HB3 ALA A 74 15.038 -0.024 7.029 1.00 0.00 H new ATOM 1077 N VAL A 75 18.163 0.557 5.363 1.00 0.00 N ATOM 1078 CA VAL A 75 18.745 0.070 4.118 1.00 0.00 C ATOM 1079 C VAL A 75 19.495 -1.239 4.340 1.00 0.00 C ATOM 1080 O VAL A 75 20.489 -1.280 5.065 1.00 0.00 O ATOM 1081 CB VAL A 75 19.711 1.098 3.500 1.00 0.00 C ATOM 1082 CG1 VAL A 75 19.959 0.774 2.035 1.00 0.00 C ATOM 1083 CG2 VAL A 75 19.174 2.512 3.657 1.00 0.00 C ATOM 0 H VAL A 75 18.763 0.447 6.180 1.00 0.00 H new ATOM 0 HA VAL A 75 17.916 -0.095 3.429 1.00 0.00 H new ATOM 0 HB VAL A 75 20.660 1.041 4.033 1.00 0.00 H new ATOM 0 HG11 VAL A 75 20.643 1.509 1.611 1.00 0.00 H new ATOM 0 HG12 VAL A 75 20.397 -0.221 1.951 1.00 0.00 H new ATOM 0 HG13 VAL A 75 19.015 0.802 1.491 1.00 0.00 H new ATOM 0 HG21 VAL A 75 19.875 3.219 3.212 1.00 0.00 H new ATOM 0 HG22 VAL A 75 18.210 2.593 3.155 1.00 0.00 H new ATOM 0 HG23 VAL A 75 19.052 2.739 4.716 1.00 0.00 H new ATOM 1093 N SER A 76 19.014 -2.307 3.711 1.00 0.00 N ATOM 1094 CA SER A 76 19.642 -3.618 3.840 1.00 0.00 C ATOM 1095 C SER A 76 20.366 -4.002 2.554 1.00 0.00 C ATOM 1096 O SER A 76 20.300 -3.285 1.556 1.00 0.00 O ATOM 1097 CB SER A 76 18.596 -4.679 4.186 1.00 0.00 C ATOM 1098 OG SER A 76 17.283 -4.191 3.969 1.00 0.00 O ATOM 0 H SER A 76 18.192 -2.291 3.107 1.00 0.00 H new ATOM 0 HA SER A 76 20.373 -3.564 4.647 1.00 0.00 H new ATOM 0 HB2 SER A 76 18.762 -5.569 3.579 1.00 0.00 H new ATOM 0 HB3 SER A 76 18.708 -4.979 5.228 1.00 0.00 H new ATOM 0 HG SER A 76 16.633 -4.889 4.196 1.00 0.00 H new ATOM 1104 N GLY A 77 21.057 -5.138 2.586 1.00 0.00 N ATOM 1105 CA GLY A 77 21.783 -5.597 1.416 1.00 0.00 C ATOM 1106 C GLY A 77 22.284 -7.020 1.563 1.00 0.00 C ATOM 1107 O GLY A 77 22.229 -7.595 2.651 1.00 0.00 O ATOM 0 H GLY A 77 21.127 -5.748 3.401 1.00 0.00 H new ATOM 0 HA2 GLY A 77 21.135 -5.532 0.542 1.00 0.00 H new ATOM 0 HA3 GLY A 77 22.629 -4.934 1.235 1.00 0.00 H new