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 -170:sc= -0.649 USER MOD Single : A 21 THR OG1 : rot 180:sc= -0.477 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 SER OG : rot 170:sc= -0.445 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 -101:sc= -0.938 USER MOD Single : A 35 GLN : amide:sc= -1.02 K(o=-1,f=0) USER MOD Single : A 38 GLN : amide:sc= -0.0158 K(o=-0.016,f=-0.65) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 THR OG1 : rot 1:sc= -0.222 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 56 LYS NZ :NH3+ -156:sc= -0.0373 (180deg=-0.275) USER MOD Single : A 58 SER OG : rot 180:sc=-0.00909 USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ 163:sc= -0.0125 (180deg=-0.184) USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 268 N VAL A 18 14.306 -1.807 4.521 1.00 0.00 N ATOM 269 CA VAL A 18 13.814 -1.960 5.884 1.00 0.00 C ATOM 270 C VAL A 18 14.818 -2.720 6.747 1.00 0.00 C ATOM 271 O VAL A 18 15.544 -3.584 6.255 1.00 0.00 O ATOM 272 CB VAL A 18 12.461 -2.699 5.911 1.00 0.00 C ATOM 273 CG1 VAL A 18 12.586 -4.069 5.269 1.00 0.00 C ATOM 274 CG2 VAL A 18 11.940 -2.822 7.333 1.00 0.00 C ATOM 0 HA VAL A 18 13.679 -0.957 6.289 1.00 0.00 H new ATOM 0 HB VAL A 18 11.744 -2.113 5.335 1.00 0.00 H new ATOM 0 HG11 VAL A 18 11.620 -4.574 5.298 1.00 0.00 H new ATOM 0 HG12 VAL A 18 12.906 -3.958 4.233 1.00 0.00 H new ATOM 0 HG13 VAL A 18 13.321 -4.661 5.814 1.00 0.00 H new ATOM 0 HG21 VAL A 18 10.985 -3.347 7.326 1.00 0.00 H new ATOM 0 HG22 VAL A 18 12.656 -3.380 7.936 1.00 0.00 H new ATOM 0 HG23 VAL A 18 11.805 -1.828 7.758 1.00 0.00 H new ATOM 284 N SER A 19 14.852 -2.394 8.036 1.00 0.00 N ATOM 285 CA SER A 19 15.765 -3.045 8.968 1.00 0.00 C ATOM 286 C SER A 19 15.366 -4.502 9.186 1.00 0.00 C ATOM 287 O SER A 19 14.593 -5.066 8.412 1.00 0.00 O ATOM 288 CB SER A 19 15.780 -2.300 10.304 1.00 0.00 C ATOM 289 OG SER A 19 17.056 -2.375 10.915 1.00 0.00 O ATOM 0 H SER A 19 14.257 -1.682 8.459 1.00 0.00 H new ATOM 0 HA SER A 19 16.766 -3.021 8.538 1.00 0.00 H new ATOM 0 HB2 SER A 19 15.510 -1.256 10.145 1.00 0.00 H new ATOM 0 HB3 SER A 19 15.029 -2.725 10.970 1.00 0.00 H new ATOM 0 HG SER A 19 17.001 -2.032 11.831 1.00 0.00 H new ATOM 295 N PHE A 20 15.900 -5.108 10.242 1.00 0.00 N ATOM 296 CA PHE A 20 15.595 -6.501 10.552 1.00 0.00 C ATOM 297 C PHE A 20 15.431 -6.710 12.053 1.00 0.00 C ATOM 298 O PHE A 20 15.910 -5.911 12.858 1.00 0.00 O ATOM 299 CB PHE A 20 16.697 -7.417 10.015 1.00 0.00 C ATOM 300 CG PHE A 20 16.442 -7.911 8.619 1.00 0.00 C ATOM 301 CD1 PHE A 20 15.161 -8.241 8.206 1.00 0.00 C ATOM 302 CD2 PHE A 20 17.487 -8.048 7.720 1.00 0.00 C ATOM 303 CE1 PHE A 20 14.926 -8.697 6.924 1.00 0.00 C ATOM 304 CE2 PHE A 20 17.258 -8.503 6.435 1.00 0.00 C ATOM 305 CZ PHE A 20 15.976 -8.827 6.036 1.00 0.00 C ATOM 0 H PHE A 20 16.543 -4.659 10.895 1.00 0.00 H new ATOM 0 HA PHE A 20 14.651 -6.752 10.068 1.00 0.00 H new ATOM 0 HB2 PHE A 20 17.645 -6.880 10.034 1.00 0.00 H new ATOM 0 HB3 PHE A 20 16.802 -8.273 10.681 1.00 0.00 H new ATOM 0 HD1 PHE A 20 14.336 -8.140 8.896 1.00 0.00 H new ATOM 0 HD2 PHE A 20 18.492 -7.797 8.026 1.00 0.00 H new ATOM 0 HE1 PHE A 20 13.923 -8.952 6.616 1.00 0.00 H new ATOM 0 HE2 PHE A 20 18.081 -8.605 5.743 1.00 0.00 H new ATOM 0 HZ PHE A 20 15.795 -9.181 5.032 1.00 0.00 H new ATOM 315 N THR A 21 14.752 -7.792 12.419 1.00 0.00 N ATOM 316 CA THR A 21 14.522 -8.113 13.822 1.00 0.00 C ATOM 317 C THR A 21 14.267 -9.604 14.009 1.00 0.00 C ATOM 318 O THR A 21 14.166 -10.352 13.038 1.00 0.00 O ATOM 319 CB THR A 21 13.329 -7.323 14.395 1.00 0.00 C ATOM 320 OG1 THR A 21 13.047 -7.752 15.733 1.00 0.00 O ATOM 321 CG2 THR A 21 12.093 -7.506 13.528 1.00 0.00 C ATOM 0 H THR A 21 14.351 -8.462 11.762 1.00 0.00 H new ATOM 0 HA THR A 21 15.426 -7.830 14.362 1.00 0.00 H new ATOM 0 HB THR A 21 13.596 -6.266 14.404 1.00 0.00 H new ATOM 0 HG1 THR A 21 12.289 -7.242 16.087 1.00 0.00 H new ATOM 0 HG21 THR A 21 11.264 -6.939 13.952 1.00 0.00 H new ATOM 0 HG22 THR A 21 12.300 -7.147 12.520 1.00 0.00 H new ATOM 0 HG23 THR A 21 11.828 -8.563 13.490 1.00 0.00 H new ATOM 329 N GLY A 22 14.163 -10.027 15.262 1.00 0.00 N ATOM 330 CA GLY A 22 13.921 -11.427 15.556 1.00 0.00 C ATOM 331 C GLY A 22 15.194 -12.250 15.531 1.00 0.00 C ATOM 332 O GLY A 22 15.419 -13.086 16.405 1.00 0.00 O ATOM 0 H GLY A 22 14.242 -9.425 16.082 1.00 0.00 H new ATOM 0 HA2 GLY A 22 13.454 -11.514 16.537 1.00 0.00 H new ATOM 0 HA3 GLY A 22 13.216 -11.831 14.830 1.00 0.00 H new ATOM 336 N GLY A 23 16.031 -12.010 14.525 1.00 0.00 N ATOM 337 CA GLY A 23 17.279 -12.739 14.407 1.00 0.00 C ATOM 338 C GLY A 23 18.288 -12.330 15.460 1.00 0.00 C ATOM 339 O GLY A 23 18.004 -11.478 16.303 1.00 0.00 O ATOM 0 H GLY A 23 15.866 -11.323 13.790 1.00 0.00 H new ATOM 0 HA2 GLY A 23 17.082 -13.808 14.492 1.00 0.00 H new ATOM 0 HA3 GLY A 23 17.703 -12.571 13.417 1.00 0.00 H new ATOM 343 N LYS A 24 19.468 -12.939 15.415 1.00 0.00 N ATOM 344 CA LYS A 24 20.521 -12.632 16.375 1.00 0.00 C ATOM 345 C LYS A 24 21.751 -12.064 15.676 1.00 0.00 C ATOM 346 O LYS A 24 22.639 -12.808 15.259 1.00 0.00 O ATOM 347 CB LYS A 24 20.900 -13.890 17.158 1.00 0.00 C ATOM 348 CG LYS A 24 20.170 -14.024 18.484 1.00 0.00 C ATOM 349 CD LYS A 24 21.118 -13.868 19.661 1.00 0.00 C ATOM 350 CE LYS A 24 21.036 -15.055 20.607 1.00 0.00 C ATOM 351 NZ LYS A 24 21.952 -14.905 21.769 1.00 0.00 N ATOM 0 H LYS A 24 19.719 -13.647 14.725 1.00 0.00 H new ATOM 0 HA LYS A 24 20.142 -11.878 17.065 1.00 0.00 H new ATOM 0 HB2 LYS A 24 20.688 -14.767 16.546 1.00 0.00 H new ATOM 0 HB3 LYS A 24 21.974 -13.883 17.343 1.00 0.00 H new ATOM 0 HG2 LYS A 24 19.385 -13.270 18.546 1.00 0.00 H new ATOM 0 HG3 LYS A 24 19.682 -14.997 18.535 1.00 0.00 H new ATOM 0 HD2 LYS A 24 22.139 -13.764 19.295 1.00 0.00 H new ATOM 0 HD3 LYS A 24 20.879 -12.953 20.203 1.00 0.00 H new ATOM 0 HE2 LYS A 24 20.012 -15.164 20.964 1.00 0.00 H new ATOM 0 HE3 LYS A 24 21.284 -15.968 20.066 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 21.865 -15.735 22.389 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 22.932 -14.827 21.430 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 21.700 -14.048 22.301 1.00 0.00 H new ATOM 365 N ALA A 25 21.801 -10.739 15.558 1.00 0.00 N ATOM 366 CA ALA A 25 22.927 -10.073 14.915 1.00 0.00 C ATOM 367 C ALA A 25 24.230 -10.400 15.635 1.00 0.00 C ATOM 368 O ALA A 25 24.409 -10.047 16.801 1.00 0.00 O ATOM 369 CB ALA A 25 22.703 -8.568 14.880 1.00 0.00 C ATOM 0 H ALA A 25 21.076 -10.108 15.899 1.00 0.00 H new ATOM 0 HA ALA A 25 23.001 -10.438 13.891 1.00 0.00 H new ATOM 0 HB1 ALA A 25 23.552 -8.085 14.397 1.00 0.00 H new ATOM 0 HB2 ALA A 25 21.794 -8.348 14.320 1.00 0.00 H new ATOM 0 HB3 ALA A 25 22.602 -8.191 15.898 1.00 0.00 H new ATOM 375 N ILE A 26 25.137 -11.077 14.938 1.00 0.00 N ATOM 376 CA ILE A 26 26.421 -11.450 15.521 1.00 0.00 C ATOM 377 C ILE A 26 27.275 -10.217 15.795 1.00 0.00 C ATOM 378 O ILE A 26 28.308 -10.300 16.459 1.00 0.00 O ATOM 379 CB ILE A 26 27.202 -12.424 14.613 1.00 0.00 C ATOM 380 CG1 ILE A 26 27.771 -11.693 13.389 1.00 0.00 C ATOM 381 CG2 ILE A 26 26.310 -13.584 14.188 1.00 0.00 C ATOM 382 CD1 ILE A 26 26.753 -11.412 12.305 1.00 0.00 C ATOM 0 H ILE A 26 25.007 -11.378 13.972 1.00 0.00 H new ATOM 0 HA ILE A 26 26.205 -11.955 16.462 1.00 0.00 H new ATOM 0 HB ILE A 26 28.041 -12.827 15.181 1.00 0.00 H new ATOM 0 HG12 ILE A 26 28.208 -10.749 13.714 1.00 0.00 H new ATOM 0 HG13 ILE A 26 28.579 -12.290 12.967 1.00 0.00 H new ATOM 0 HG21 ILE A 26 26.875 -14.262 13.548 1.00 0.00 H new ATOM 0 HG22 ILE A 26 25.966 -14.121 15.072 1.00 0.00 H new ATOM 0 HG23 ILE A 26 25.450 -13.200 13.639 1.00 0.00 H new ATOM 0 HD11 ILE A 26 27.237 -10.894 11.477 1.00 0.00 H new ATOM 0 HD12 ILE A 26 26.332 -12.352 11.948 1.00 0.00 H new ATOM 0 HD13 ILE A 26 25.956 -10.787 12.708 1.00 0.00 H new ATOM 394 N SER A 27 26.829 -9.075 15.281 1.00 0.00 N ATOM 395 CA SER A 27 27.540 -7.817 15.467 1.00 0.00 C ATOM 396 C SER A 27 26.730 -6.653 14.915 1.00 0.00 C ATOM 397 O SER A 27 26.069 -6.775 13.885 1.00 0.00 O ATOM 398 CB SER A 27 28.911 -7.869 14.790 1.00 0.00 C ATOM 399 OG SER A 27 29.349 -6.574 14.417 1.00 0.00 O ATOM 0 H SER A 27 25.974 -8.996 14.730 1.00 0.00 H new ATOM 0 HA SER A 27 27.682 -7.665 16.537 1.00 0.00 H new ATOM 0 HB2 SER A 27 29.637 -8.320 15.467 1.00 0.00 H new ATOM 0 HB3 SER A 27 28.859 -8.506 13.907 1.00 0.00 H new ATOM 0 HG SER A 27 30.287 -6.614 14.136 1.00 0.00 H new ATOM 405 N GLU A 28 26.783 -5.526 15.612 1.00 0.00 N ATOM 406 CA GLU A 28 26.055 -4.336 15.197 1.00 0.00 C ATOM 407 C GLU A 28 26.988 -3.134 15.131 1.00 0.00 C ATOM 408 O GLU A 28 27.881 -2.983 15.965 1.00 0.00 O ATOM 409 CB GLU A 28 24.908 -4.045 16.165 1.00 0.00 C ATOM 410 CG GLU A 28 24.465 -5.255 16.975 1.00 0.00 C ATOM 411 CD GLU A 28 23.961 -4.880 18.355 1.00 0.00 C ATOM 412 OE1 GLU A 28 23.217 -3.883 18.465 1.00 0.00 O ATOM 413 OE2 GLU A 28 24.312 -5.583 19.326 1.00 0.00 O ATOM 0 H GLU A 28 27.324 -5.411 16.469 1.00 0.00 H new ATOM 0 HA GLU A 28 25.644 -4.520 14.204 1.00 0.00 H new ATOM 0 HB2 GLU A 28 25.215 -3.254 16.849 1.00 0.00 H new ATOM 0 HB3 GLU A 28 24.056 -3.666 15.601 1.00 0.00 H new ATOM 0 HG2 GLU A 28 23.677 -5.781 16.435 1.00 0.00 H new ATOM 0 HG3 GLU A 28 25.301 -5.948 17.073 1.00 0.00 H new ATOM 420 N ALA A 29 26.779 -2.284 14.135 1.00 0.00 N ATOM 421 CA ALA A 29 27.608 -1.096 13.962 1.00 0.00 C ATOM 422 C ALA A 29 26.776 0.178 14.052 1.00 0.00 C ATOM 423 O ALA A 29 26.145 0.585 13.078 1.00 0.00 O ATOM 424 CB ALA A 29 28.340 -1.154 12.632 1.00 0.00 C ATOM 0 H ALA A 29 26.045 -2.393 13.435 1.00 0.00 H new ATOM 0 HA ALA A 29 28.340 -1.077 14.770 1.00 0.00 H new ATOM 0 HB1 ALA A 29 28.955 -0.261 12.516 1.00 0.00 H new ATOM 0 HB2 ALA A 29 28.976 -2.039 12.605 1.00 0.00 H new ATOM 0 HB3 ALA A 29 27.615 -1.203 11.820 1.00 0.00 H new ATOM 430 N LYS A 30 26.784 0.805 15.223 1.00 0.00 N ATOM 431 CA LYS A 30 26.034 2.040 15.433 1.00 0.00 C ATOM 432 C LYS A 30 26.510 3.122 14.471 1.00 0.00 C ATOM 433 O LYS A 30 27.404 3.905 14.792 1.00 0.00 O ATOM 434 CB LYS A 30 26.190 2.517 16.879 1.00 0.00 C ATOM 435 CG LYS A 30 24.888 2.988 17.507 1.00 0.00 C ATOM 436 CD LYS A 30 25.106 4.195 18.404 1.00 0.00 C ATOM 437 CE LYS A 30 23.838 4.566 19.157 1.00 0.00 C ATOM 438 NZ LYS A 30 22.933 5.416 18.334 1.00 0.00 N ATOM 0 H LYS A 30 27.300 0.480 16.041 1.00 0.00 H new ATOM 0 HA LYS A 30 24.980 1.840 15.240 1.00 0.00 H new ATOM 0 HB2 LYS A 30 26.600 1.705 17.479 1.00 0.00 H new ATOM 0 HB3 LYS A 30 26.914 3.332 16.908 1.00 0.00 H new ATOM 0 HG2 LYS A 30 24.175 3.241 16.722 1.00 0.00 H new ATOM 0 HG3 LYS A 30 24.449 2.177 18.087 1.00 0.00 H new ATOM 0 HD2 LYS A 30 25.904 3.982 19.116 1.00 0.00 H new ATOM 0 HD3 LYS A 30 25.434 5.042 17.802 1.00 0.00 H new ATOM 0 HE2 LYS A 30 23.313 3.658 19.454 1.00 0.00 H new ATOM 0 HE3 LYS A 30 24.101 5.096 20.072 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 22.080 5.647 18.882 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 23.425 6.294 18.072 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 22.661 4.901 17.472 1.00 0.00 H new ATOM 452 N ALA A 31 25.913 3.151 13.283 1.00 0.00 N ATOM 453 CA ALA A 31 26.281 4.127 12.266 1.00 0.00 C ATOM 454 C ALA A 31 25.050 4.782 11.652 1.00 0.00 C ATOM 455 O ALA A 31 23.953 4.225 11.690 1.00 0.00 O ATOM 456 CB ALA A 31 27.114 3.458 11.183 1.00 0.00 C ATOM 0 H ALA A 31 25.172 2.509 13.002 1.00 0.00 H new ATOM 0 HA ALA A 31 26.871 4.909 12.745 1.00 0.00 H new ATOM 0 HB1 ALA A 31 27.385 4.194 10.426 1.00 0.00 H new ATOM 0 HB2 ALA A 31 28.019 3.042 11.625 1.00 0.00 H new ATOM 0 HB3 ALA A 31 26.535 2.658 10.721 1.00 0.00 H new ATOM 462 N ALA A 32 25.243 5.966 11.080 1.00 0.00 N ATOM 463 CA ALA A 32 24.154 6.699 10.448 1.00 0.00 C ATOM 464 C ALA A 32 24.142 6.458 8.944 1.00 0.00 C ATOM 465 O ALA A 32 23.210 6.859 8.246 1.00 0.00 O ATOM 466 CB ALA A 32 24.273 8.186 10.748 1.00 0.00 C ATOM 0 H ALA A 32 26.146 6.439 11.042 1.00 0.00 H new ATOM 0 HA ALA A 32 23.212 6.335 10.859 1.00 0.00 H new ATOM 0 HB1 ALA A 32 23.453 8.721 10.269 1.00 0.00 H new ATOM 0 HB2 ALA A 32 24.230 8.344 11.826 1.00 0.00 H new ATOM 0 HB3 ALA A 32 25.222 8.560 10.364 1.00 0.00 H new ATOM 472 N SER A 33 25.185 5.796 8.451 1.00 0.00 N ATOM 473 CA SER A 33 25.302 5.494 7.029 1.00 0.00 C ATOM 474 C SER A 33 25.694 4.037 6.816 1.00 0.00 C ATOM 475 O SER A 33 26.545 3.502 7.528 1.00 0.00 O ATOM 476 CB SER A 33 26.334 6.414 6.374 1.00 0.00 C ATOM 477 OG SER A 33 27.654 5.982 6.655 1.00 0.00 O ATOM 0 H SER A 33 25.963 5.458 9.018 1.00 0.00 H new ATOM 0 HA SER A 33 24.330 5.663 6.565 1.00 0.00 H new ATOM 0 HB2 SER A 33 26.176 6.433 5.296 1.00 0.00 H new ATOM 0 HB3 SER A 33 26.197 7.434 6.734 1.00 0.00 H new ATOM 0 HG SER A 33 28.294 6.585 6.224 1.00 0.00 H new ATOM 483 N SER A 34 25.066 3.397 5.836 1.00 0.00 N ATOM 484 CA SER A 34 25.345 1.999 5.529 1.00 0.00 C ATOM 485 C SER A 34 26.812 1.797 5.174 1.00 0.00 C ATOM 486 O SER A 34 27.395 0.754 5.476 1.00 0.00 O ATOM 487 CB SER A 34 24.466 1.528 4.372 1.00 0.00 C ATOM 488 OG SER A 34 23.217 2.196 4.373 1.00 0.00 O ATOM 0 H SER A 34 24.358 3.825 5.239 1.00 0.00 H new ATOM 0 HA SER A 34 25.121 1.409 6.418 1.00 0.00 H new ATOM 0 HB2 SER A 34 24.977 1.709 3.426 1.00 0.00 H new ATOM 0 HB3 SER A 34 24.306 0.452 4.448 1.00 0.00 H new ATOM 0 HG SER A 34 22.532 1.609 4.757 1.00 0.00 H new ATOM 494 N GLN A 35 27.403 2.797 4.528 1.00 0.00 N ATOM 495 CA GLN A 35 28.804 2.733 4.128 1.00 0.00 C ATOM 496 C GLN A 35 29.687 2.333 5.306 1.00 0.00 C ATOM 497 O GLN A 35 30.619 1.542 5.156 1.00 0.00 O ATOM 498 CB GLN A 35 29.250 4.084 3.561 1.00 0.00 C ATOM 499 CG GLN A 35 30.759 4.265 3.511 1.00 0.00 C ATOM 500 CD GLN A 35 31.226 5.491 4.270 1.00 0.00 C ATOM 501 OE1 GLN A 35 31.910 6.353 3.720 1.00 0.00 O ATOM 502 NE2 GLN A 35 30.858 5.575 5.543 1.00 0.00 N ATOM 0 H GLN A 35 26.932 3.664 4.270 1.00 0.00 H new ATOM 0 HA GLN A 35 28.908 1.973 3.354 1.00 0.00 H new ATOM 0 HB2 GLN A 35 28.847 4.195 2.554 1.00 0.00 H new ATOM 0 HB3 GLN A 35 28.818 4.881 4.166 1.00 0.00 H new ATOM 0 HG2 GLN A 35 31.241 3.380 3.926 1.00 0.00 H new ATOM 0 HG3 GLN A 35 31.077 4.343 2.471 1.00 0.00 H new ATOM 0 HE21 GLN A 35 30.290 4.837 5.959 1.00 0.00 H new ATOM 0 HE22 GLN A 35 31.143 6.377 6.104 1.00 0.00 H new ATOM 511 N ALA A 36 29.382 2.879 6.477 1.00 0.00 N ATOM 512 CA ALA A 36 30.141 2.572 7.682 1.00 0.00 C ATOM 513 C ALA A 36 29.935 1.120 8.093 1.00 0.00 C ATOM 514 O ALA A 36 30.866 0.451 8.541 1.00 0.00 O ATOM 515 CB ALA A 36 29.741 3.508 8.814 1.00 0.00 C ATOM 0 H ALA A 36 28.615 3.536 6.617 1.00 0.00 H new ATOM 0 HA ALA A 36 31.199 2.719 7.467 1.00 0.00 H new ATOM 0 HB1 ALA A 36 30.317 3.266 9.707 1.00 0.00 H new ATOM 0 HB2 ALA A 36 29.941 4.539 8.522 1.00 0.00 H new ATOM 0 HB3 ALA A 36 28.678 3.391 9.025 1.00 0.00 H new ATOM 521 N CYS A 37 28.709 0.638 7.926 1.00 0.00 N ATOM 522 CA CYS A 37 28.375 -0.739 8.267 1.00 0.00 C ATOM 523 C CYS A 37 29.067 -1.706 7.314 1.00 0.00 C ATOM 524 O CYS A 37 29.327 -2.859 7.660 1.00 0.00 O ATOM 525 CB CYS A 37 26.861 -0.948 8.213 1.00 0.00 C ATOM 526 SG CYS A 37 26.335 -2.668 8.509 1.00 0.00 S ATOM 0 H CYS A 37 27.929 1.181 7.556 1.00 0.00 H new ATOM 0 HA CYS A 37 28.723 -0.936 9.281 1.00 0.00 H new ATOM 0 HB2 CYS A 37 26.389 -0.303 8.954 1.00 0.00 H new ATOM 0 HB3 CYS A 37 26.496 -0.631 7.236 1.00 0.00 H new ATOM 531 N GLN A 38 29.365 -1.224 6.111 1.00 0.00 N ATOM 532 CA GLN A 38 30.032 -2.039 5.103 1.00 0.00 C ATOM 533 C GLN A 38 31.482 -2.295 5.491 1.00 0.00 C ATOM 534 O GLN A 38 31.952 -3.433 5.461 1.00 0.00 O ATOM 535 CB GLN A 38 29.968 -1.352 3.738 1.00 0.00 C ATOM 536 CG GLN A 38 28.552 -1.153 3.223 1.00 0.00 C ATOM 537 CD GLN A 38 28.510 -0.417 1.898 1.00 0.00 C ATOM 538 OE1 GLN A 38 29.448 -0.487 1.104 1.00 0.00 O ATOM 539 NE2 GLN A 38 27.417 0.298 1.654 1.00 0.00 N ATOM 0 H GLN A 38 29.155 -0.272 5.811 1.00 0.00 H new ATOM 0 HA GLN A 38 29.516 -2.997 5.042 1.00 0.00 H new ATOM 0 HB2 GLN A 38 30.461 -0.382 3.805 1.00 0.00 H new ATOM 0 HB3 GLN A 38 30.529 -1.945 3.015 1.00 0.00 H new ATOM 0 HG2 GLN A 38 28.071 -2.125 3.110 1.00 0.00 H new ATOM 0 HG3 GLN A 38 27.976 -0.596 3.962 1.00 0.00 H new ATOM 0 HE21 GLN A 38 26.663 0.328 2.341 1.00 0.00 H new ATOM 0 HE22 GLN A 38 27.332 0.817 0.780 1.00 0.00 H new ATOM 548 N GLU A 39 32.189 -1.229 5.860 1.00 0.00 N ATOM 549 CA GLU A 39 33.584 -1.340 6.258 1.00 0.00 C ATOM 550 C GLU A 39 33.710 -2.095 7.576 1.00 0.00 C ATOM 551 O GLU A 39 34.671 -2.835 7.790 1.00 0.00 O ATOM 552 CB GLU A 39 34.201 0.052 6.388 1.00 0.00 C ATOM 553 CG GLU A 39 34.073 0.895 5.130 1.00 0.00 C ATOM 554 CD GLU A 39 35.290 1.764 4.882 1.00 0.00 C ATOM 555 OE1 GLU A 39 36.374 1.205 4.616 1.00 0.00 O ATOM 556 OE2 GLU A 39 35.159 3.004 4.956 1.00 0.00 O ATOM 0 H GLU A 39 31.816 -0.280 5.891 1.00 0.00 H new ATOM 0 HA GLU A 39 34.120 -1.898 5.490 1.00 0.00 H new ATOM 0 HB2 GLU A 39 33.724 0.576 7.216 1.00 0.00 H new ATOM 0 HB3 GLU A 39 35.256 -0.050 6.641 1.00 0.00 H new ATOM 0 HG2 GLU A 39 33.919 0.240 4.273 1.00 0.00 H new ATOM 0 HG3 GLU A 39 33.190 1.528 5.210 1.00 0.00 H new ATOM 563 N LEU A 40 32.731 -1.906 8.454 1.00 0.00 N ATOM 564 CA LEU A 40 32.725 -2.573 9.751 1.00 0.00 C ATOM 565 C LEU A 40 32.592 -4.082 9.575 1.00 0.00 C ATOM 566 O LEU A 40 33.452 -4.846 10.012 1.00 0.00 O ATOM 567 CB LEU A 40 31.576 -2.030 10.614 1.00 0.00 C ATOM 568 CG LEU A 40 31.342 -2.741 11.957 1.00 0.00 C ATOM 569 CD1 LEU A 40 30.343 -3.876 11.795 1.00 0.00 C ATOM 570 CD2 LEU A 40 32.647 -3.257 12.545 1.00 0.00 C ATOM 0 H LEU A 40 31.930 -1.296 8.291 1.00 0.00 H new ATOM 0 HA LEU A 40 33.670 -2.370 10.255 1.00 0.00 H new ATOM 0 HB2 LEU A 40 31.766 -0.975 10.813 1.00 0.00 H new ATOM 0 HB3 LEU A 40 30.656 -2.084 10.033 1.00 0.00 H new ATOM 0 HG LEU A 40 30.928 -2.011 12.653 1.00 0.00 H new ATOM 0 HD11 LEU A 40 30.191 -4.367 12.756 1.00 0.00 H new ATOM 0 HD12 LEU A 40 29.394 -3.477 11.437 1.00 0.00 H new ATOM 0 HD13 LEU A 40 30.727 -4.599 11.075 1.00 0.00 H new ATOM 0 HD21 LEU A 40 32.447 -3.754 13.494 1.00 0.00 H new ATOM 0 HD22 LEU A 40 33.103 -3.965 11.853 1.00 0.00 H new ATOM 0 HD23 LEU A 40 33.327 -2.422 12.710 1.00 0.00 H new ATOM 582 N CYS A 41 31.507 -4.501 8.934 1.00 0.00 N ATOM 583 CA CYS A 41 31.257 -5.917 8.698 1.00 0.00 C ATOM 584 C CYS A 41 32.376 -6.536 7.866 1.00 0.00 C ATOM 585 O CYS A 41 32.634 -7.738 7.952 1.00 0.00 O ATOM 586 CB CYS A 41 29.911 -6.102 7.998 1.00 0.00 C ATOM 587 SG CYS A 41 29.897 -7.409 6.727 1.00 0.00 S ATOM 0 H CYS A 41 30.786 -3.879 8.568 1.00 0.00 H new ATOM 0 HA CYS A 41 31.229 -6.426 9.661 1.00 0.00 H new ATOM 0 HB2 CYS A 41 29.154 -6.333 8.748 1.00 0.00 H new ATOM 0 HB3 CYS A 41 29.623 -5.158 7.535 1.00 0.00 H new ATOM 592 N GLU A 42 33.039 -5.709 7.063 1.00 0.00 N ATOM 593 CA GLU A 42 34.132 -6.177 6.218 1.00 0.00 C ATOM 594 C GLU A 42 35.311 -6.647 7.064 1.00 0.00 C ATOM 595 O GLU A 42 36.065 -7.532 6.660 1.00 0.00 O ATOM 596 CB GLU A 42 34.583 -5.065 5.268 1.00 0.00 C ATOM 597 CG GLU A 42 34.218 -5.320 3.815 1.00 0.00 C ATOM 598 CD GLU A 42 35.256 -6.155 3.092 1.00 0.00 C ATOM 599 OE1 GLU A 42 36.331 -5.611 2.762 1.00 0.00 O ATOM 600 OE2 GLU A 42 34.994 -7.354 2.855 1.00 0.00 O ATOM 0 H GLU A 42 32.838 -4.712 6.980 1.00 0.00 H new ATOM 0 HA GLU A 42 33.769 -7.021 5.632 1.00 0.00 H new ATOM 0 HB2 GLU A 42 34.136 -4.123 5.586 1.00 0.00 H new ATOM 0 HB3 GLU A 42 35.664 -4.947 5.347 1.00 0.00 H new ATOM 0 HG2 GLU A 42 33.254 -5.826 3.770 1.00 0.00 H new ATOM 0 HG3 GLU A 42 34.102 -4.366 3.301 1.00 0.00 H new ATOM 607 N LYS A 43 35.464 -6.046 8.240 1.00 0.00 N ATOM 608 CA LYS A 43 36.551 -6.400 9.145 1.00 0.00 C ATOM 609 C LYS A 43 36.202 -7.644 9.958 1.00 0.00 C ATOM 610 O LYS A 43 37.060 -8.222 10.622 1.00 0.00 O ATOM 611 CB LYS A 43 36.860 -5.233 10.085 1.00 0.00 C ATOM 612 CG LYS A 43 37.689 -4.135 9.439 1.00 0.00 C ATOM 613 CD LYS A 43 39.045 -3.993 10.110 1.00 0.00 C ATOM 614 CE LYS A 43 39.945 -3.033 9.349 1.00 0.00 C ATOM 615 NZ LYS A 43 40.949 -3.753 8.519 1.00 0.00 N ATOM 0 H LYS A 43 34.848 -5.311 8.588 1.00 0.00 H new ATOM 0 HA LYS A 43 37.434 -6.618 8.544 1.00 0.00 H new ATOM 0 HB2 LYS A 43 35.922 -4.807 10.442 1.00 0.00 H new ATOM 0 HB3 LYS A 43 37.391 -5.612 10.958 1.00 0.00 H new ATOM 0 HG2 LYS A 43 37.827 -4.357 8.381 1.00 0.00 H new ATOM 0 HG3 LYS A 43 37.151 -3.189 9.499 1.00 0.00 H new ATOM 0 HD2 LYS A 43 38.911 -3.636 11.131 1.00 0.00 H new ATOM 0 HD3 LYS A 43 39.525 -4.970 10.174 1.00 0.00 H new ATOM 0 HE2 LYS A 43 39.336 -2.394 8.709 1.00 0.00 H new ATOM 0 HE3 LYS A 43 40.459 -2.380 10.055 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 41.543 -3.063 8.016 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 41.547 -4.343 9.132 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 40.459 -4.357 7.828 1.00 0.00 H new ATOM 629 N ASP A 44 34.937 -8.048 9.899 1.00 0.00 N ATOM 630 CA ASP A 44 34.475 -9.223 10.629 1.00 0.00 C ATOM 631 C ASP A 44 34.573 -10.475 9.764 1.00 0.00 C ATOM 632 O ASP A 44 34.652 -10.390 8.538 1.00 0.00 O ATOM 633 CB ASP A 44 33.033 -9.023 11.098 1.00 0.00 C ATOM 634 CG ASP A 44 32.724 -9.796 12.365 1.00 0.00 C ATOM 635 OD1 ASP A 44 33.512 -9.693 13.330 1.00 0.00 O ATOM 636 OD2 ASP A 44 31.697 -10.505 12.393 1.00 0.00 O ATOM 0 H ASP A 44 34.214 -7.579 9.353 1.00 0.00 H new ATOM 0 HA ASP A 44 35.117 -9.355 11.500 1.00 0.00 H new ATOM 0 HB2 ASP A 44 32.854 -7.962 11.271 1.00 0.00 H new ATOM 0 HB3 ASP A 44 32.350 -9.337 10.308 1.00 0.00 H new ATOM 641 N ALA A 45 34.566 -11.637 10.411 1.00 0.00 N ATOM 642 CA ALA A 45 34.653 -12.908 9.702 1.00 0.00 C ATOM 643 C ALA A 45 33.406 -13.753 9.932 1.00 0.00 C ATOM 644 O ALA A 45 33.396 -14.952 9.652 1.00 0.00 O ATOM 645 CB ALA A 45 35.898 -13.669 10.136 1.00 0.00 C ATOM 0 H ALA A 45 34.501 -11.724 11.425 1.00 0.00 H new ATOM 0 HA ALA A 45 34.723 -12.697 8.635 1.00 0.00 H new ATOM 0 HB1 ALA A 45 35.951 -14.616 9.599 1.00 0.00 H new ATOM 0 HB2 ALA A 45 36.784 -13.075 9.912 1.00 0.00 H new ATOM 0 HB3 ALA A 45 35.852 -13.862 11.208 1.00 0.00 H new ATOM 651 N LYS A 46 32.355 -13.120 10.444 1.00 0.00 N ATOM 652 CA LYS A 46 31.101 -13.813 10.712 1.00 0.00 C ATOM 653 C LYS A 46 29.928 -13.079 10.071 1.00 0.00 C ATOM 654 O LYS A 46 28.768 -13.419 10.301 1.00 0.00 O ATOM 655 CB LYS A 46 30.875 -13.939 12.220 1.00 0.00 C ATOM 656 CG LYS A 46 31.543 -15.158 12.836 1.00 0.00 C ATOM 657 CD LYS A 46 30.568 -15.959 13.682 1.00 0.00 C ATOM 658 CE LYS A 46 30.788 -15.716 15.167 1.00 0.00 C ATOM 659 NZ LYS A 46 30.695 -16.976 15.955 1.00 0.00 N ATOM 0 H LYS A 46 32.348 -12.128 10.681 1.00 0.00 H new ATOM 0 HA LYS A 46 31.166 -14.810 10.277 1.00 0.00 H new ATOM 0 HB2 LYS A 46 31.251 -13.042 12.711 1.00 0.00 H new ATOM 0 HB3 LYS A 46 29.804 -13.984 12.416 1.00 0.00 H new ATOM 0 HG2 LYS A 46 31.946 -15.791 12.046 1.00 0.00 H new ATOM 0 HG3 LYS A 46 32.385 -14.841 13.451 1.00 0.00 H new ATOM 0 HD2 LYS A 46 29.546 -15.689 13.416 1.00 0.00 H new ATOM 0 HD3 LYS A 46 30.684 -17.021 13.465 1.00 0.00 H new ATOM 0 HE2 LYS A 46 31.768 -15.264 15.320 1.00 0.00 H new ATOM 0 HE3 LYS A 46 30.048 -15.004 15.532 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 30.851 -16.768 16.962 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 29.751 -17.395 15.830 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 31.418 -17.646 15.624 1.00 0.00 H new ATOM 673 N CYS A 47 30.242 -12.067 9.267 1.00 0.00 N ATOM 674 CA CYS A 47 29.216 -11.282 8.592 1.00 0.00 C ATOM 675 C CYS A 47 28.989 -11.785 7.170 1.00 0.00 C ATOM 676 O CYS A 47 29.917 -12.256 6.512 1.00 0.00 O ATOM 677 CB CYS A 47 29.611 -9.804 8.565 1.00 0.00 C ATOM 678 SG CYS A 47 28.592 -8.781 7.456 1.00 0.00 S ATOM 0 H CYS A 47 31.198 -11.772 9.068 1.00 0.00 H new ATOM 0 HA CYS A 47 28.286 -11.394 9.149 1.00 0.00 H new ATOM 0 HB2 CYS A 47 29.543 -9.403 9.576 1.00 0.00 H new ATOM 0 HB3 CYS A 47 30.654 -9.724 8.259 1.00 0.00 H new ATOM 683 N ARG A 48 27.750 -11.677 6.704 1.00 0.00 N ATOM 684 CA ARG A 48 27.396 -12.117 5.359 1.00 0.00 C ATOM 685 C ARG A 48 26.272 -11.259 4.790 1.00 0.00 C ATOM 686 O ARG A 48 26.282 -10.907 3.610 1.00 0.00 O ATOM 687 CB ARG A 48 26.972 -13.587 5.376 1.00 0.00 C ATOM 688 CG ARG A 48 27.871 -14.489 4.545 1.00 0.00 C ATOM 689 CD ARG A 48 28.052 -15.848 5.201 1.00 0.00 C ATOM 690 NE ARG A 48 29.444 -16.291 5.169 1.00 0.00 N ATOM 691 CZ ARG A 48 30.080 -16.799 6.220 1.00 0.00 C ATOM 692 NH1 ARG A 48 29.452 -16.931 7.381 1.00 0.00 N ATOM 693 NH2 ARG A 48 31.346 -17.178 6.110 1.00 0.00 N ATOM 0 H ARG A 48 26.973 -11.288 7.238 1.00 0.00 H new ATOM 0 HA ARG A 48 28.274 -12.008 4.722 1.00 0.00 H new ATOM 0 HB2 ARG A 48 26.966 -13.943 6.406 1.00 0.00 H new ATOM 0 HB3 ARG A 48 25.950 -13.666 5.006 1.00 0.00 H new ATOM 0 HG2 ARG A 48 27.442 -14.617 3.551 1.00 0.00 H new ATOM 0 HG3 ARG A 48 28.843 -14.014 4.413 1.00 0.00 H new ATOM 0 HD2 ARG A 48 27.711 -15.800 6.235 1.00 0.00 H new ATOM 0 HD3 ARG A 48 27.426 -16.582 4.693 1.00 0.00 H new ATOM 0 HE ARG A 48 29.956 -16.206 4.291 1.00 0.00 H new ATOM 0 HH11 ARG A 48 28.478 -16.642 7.470 1.00 0.00 H new ATOM 0 HH12 ARG A 48 29.943 -17.321 8.185 1.00 0.00 H new ATOM 0 HH21 ARG A 48 31.832 -17.080 5.219 1.00 0.00 H new ATOM 0 HH22 ARG A 48 31.834 -17.568 6.917 1.00 0.00 H new ATOM 707 N PHE A 49 25.304 -10.926 5.639 1.00 0.00 N ATOM 708 CA PHE A 49 24.169 -10.108 5.227 1.00 0.00 C ATOM 709 C PHE A 49 23.922 -8.982 6.226 1.00 0.00 C ATOM 710 O PHE A 49 23.138 -9.134 7.164 1.00 0.00 O ATOM 711 CB PHE A 49 22.913 -10.972 5.091 1.00 0.00 C ATOM 712 CG PHE A 49 23.139 -12.251 4.338 1.00 0.00 C ATOM 713 CD1 PHE A 49 23.279 -12.243 2.959 1.00 0.00 C ATOM 714 CD2 PHE A 49 23.212 -13.462 5.008 1.00 0.00 C ATOM 715 CE1 PHE A 49 23.486 -13.418 2.263 1.00 0.00 C ATOM 716 CE2 PHE A 49 23.419 -14.641 4.317 1.00 0.00 C ATOM 717 CZ PHE A 49 23.557 -14.619 2.943 1.00 0.00 C ATOM 0 H PHE A 49 25.284 -11.211 6.618 1.00 0.00 H new ATOM 0 HA PHE A 49 24.402 -9.666 4.258 1.00 0.00 H new ATOM 0 HB2 PHE A 49 22.536 -11.208 6.086 1.00 0.00 H new ATOM 0 HB3 PHE A 49 22.139 -10.395 4.585 1.00 0.00 H new ATOM 0 HD1 PHE A 49 23.226 -11.307 2.423 1.00 0.00 H new ATOM 0 HD2 PHE A 49 23.106 -13.485 6.083 1.00 0.00 H new ATOM 0 HE1 PHE A 49 23.592 -13.398 1.188 1.00 0.00 H new ATOM 0 HE2 PHE A 49 23.473 -15.578 4.851 1.00 0.00 H new ATOM 0 HZ PHE A 49 23.720 -15.539 2.401 1.00 0.00 H new ATOM 727 N PHE A 50 24.594 -7.854 6.020 1.00 0.00 N ATOM 728 CA PHE A 50 24.444 -6.706 6.907 1.00 0.00 C ATOM 729 C PHE A 50 23.065 -6.072 6.751 1.00 0.00 C ATOM 730 O PHE A 50 22.354 -6.340 5.782 1.00 0.00 O ATOM 731 CB PHE A 50 25.537 -5.670 6.625 1.00 0.00 C ATOM 732 CG PHE A 50 25.273 -4.821 5.415 1.00 0.00 C ATOM 733 CD1 PHE A 50 25.552 -5.297 4.144 1.00 0.00 C ATOM 734 CD2 PHE A 50 24.747 -3.547 5.548 1.00 0.00 C ATOM 735 CE1 PHE A 50 25.310 -4.518 3.028 1.00 0.00 C ATOM 736 CE2 PHE A 50 24.503 -2.762 4.437 1.00 0.00 C ATOM 737 CZ PHE A 50 24.784 -3.250 3.176 1.00 0.00 C ATOM 0 H PHE A 50 25.246 -7.710 5.249 1.00 0.00 H new ATOM 0 HA PHE A 50 24.545 -7.056 7.934 1.00 0.00 H new ATOM 0 HB2 PHE A 50 25.643 -5.022 7.495 1.00 0.00 H new ATOM 0 HB3 PHE A 50 26.488 -6.186 6.494 1.00 0.00 H new ATOM 0 HD1 PHE A 50 25.963 -6.288 4.024 1.00 0.00 H new ATOM 0 HD2 PHE A 50 24.525 -3.162 6.532 1.00 0.00 H new ATOM 0 HE1 PHE A 50 25.532 -4.900 2.043 1.00 0.00 H new ATOM 0 HE2 PHE A 50 24.094 -1.770 4.555 1.00 0.00 H new ATOM 0 HZ PHE A 50 24.592 -2.640 2.306 1.00 0.00 H new ATOM 747 N THR A 51 22.694 -5.234 7.714 1.00 0.00 N ATOM 748 CA THR A 51 21.401 -4.563 7.689 1.00 0.00 C ATOM 749 C THR A 51 21.427 -3.289 8.528 1.00 0.00 C ATOM 750 O THR A 51 21.283 -3.334 9.749 1.00 0.00 O ATOM 751 CB THR A 51 20.281 -5.489 8.206 1.00 0.00 C ATOM 752 OG1 THR A 51 20.146 -6.623 7.340 1.00 0.00 O ATOM 753 CG2 THR A 51 18.954 -4.751 8.290 1.00 0.00 C ATOM 0 H THR A 51 23.272 -5.004 8.522 1.00 0.00 H new ATOM 0 HA THR A 51 21.196 -4.303 6.651 1.00 0.00 H new ATOM 0 HB THR A 51 20.554 -5.822 9.207 1.00 0.00 H new ATOM 0 HG1 THR A 51 20.810 -6.566 6.621 1.00 0.00 H new ATOM 0 HG21 THR A 51 18.183 -5.429 8.657 1.00 0.00 H new ATOM 0 HG22 THR A 51 19.050 -3.906 8.972 1.00 0.00 H new ATOM 0 HG23 THR A 51 18.676 -4.388 7.300 1.00 0.00 H new ATOM 761 N LEU A 52 21.614 -2.153 7.863 1.00 0.00 N ATOM 762 CA LEU A 52 21.661 -0.865 8.544 1.00 0.00 C ATOM 763 C LEU A 52 20.267 -0.257 8.658 1.00 0.00 C ATOM 764 O LEU A 52 19.366 -0.597 7.890 1.00 0.00 O ATOM 765 CB LEU A 52 22.592 0.097 7.801 1.00 0.00 C ATOM 766 CG LEU A 52 22.741 1.479 8.441 1.00 0.00 C ATOM 767 CD1 LEU A 52 24.150 1.667 8.983 1.00 0.00 C ATOM 768 CD2 LEU A 52 22.403 2.570 7.436 1.00 0.00 C ATOM 0 H LEU A 52 21.736 -2.099 6.852 1.00 0.00 H new ATOM 0 HA LEU A 52 22.048 -1.029 9.549 1.00 0.00 H new ATOM 0 HB2 LEU A 52 23.579 -0.361 7.727 1.00 0.00 H new ATOM 0 HB3 LEU A 52 22.222 0.223 6.783 1.00 0.00 H new ATOM 0 HG LEU A 52 22.042 1.551 9.274 1.00 0.00 H new ATOM 0 HD11 LEU A 52 24.237 2.655 9.434 1.00 0.00 H new ATOM 0 HD12 LEU A 52 24.355 0.905 9.735 1.00 0.00 H new ATOM 0 HD13 LEU A 52 24.868 1.575 8.168 1.00 0.00 H new ATOM 0 HD21 LEU A 52 22.514 3.546 7.908 1.00 0.00 H new ATOM 0 HD22 LEU A 52 23.078 2.500 6.583 1.00 0.00 H new ATOM 0 HD23 LEU A 52 21.375 2.446 7.097 1.00 0.00 H new ATOM 780 N ALA A 53 20.096 0.644 9.620 1.00 0.00 N ATOM 781 CA ALA A 53 18.814 1.301 9.835 1.00 0.00 C ATOM 782 C ALA A 53 18.978 2.816 9.890 1.00 0.00 C ATOM 783 O ALA A 53 19.975 3.360 9.416 1.00 0.00 O ATOM 784 CB ALA A 53 18.166 0.790 11.113 1.00 0.00 C ATOM 0 H ALA A 53 20.832 0.936 10.264 1.00 0.00 H new ATOM 0 HA ALA A 53 18.165 1.062 8.993 1.00 0.00 H new ATOM 0 HB1 ALA A 53 17.209 1.290 11.261 1.00 0.00 H new ATOM 0 HB2 ALA A 53 18.006 -0.285 11.035 1.00 0.00 H new ATOM 0 HB3 ALA A 53 18.819 0.999 11.961 1.00 0.00 H new ATOM 790 N SER A 54 17.989 3.490 10.470 1.00 0.00 N ATOM 791 CA SER A 54 18.017 4.945 10.588 1.00 0.00 C ATOM 792 C SER A 54 19.301 5.418 11.262 1.00 0.00 C ATOM 793 O SER A 54 19.761 6.535 11.026 1.00 0.00 O ATOM 794 CB SER A 54 16.802 5.434 11.379 1.00 0.00 C ATOM 795 OG SER A 54 15.862 6.070 10.530 1.00 0.00 O ATOM 0 H SER A 54 17.157 3.052 10.866 1.00 0.00 H new ATOM 0 HA SER A 54 17.984 5.365 9.583 1.00 0.00 H new ATOM 0 HB2 SER A 54 16.329 4.591 11.883 1.00 0.00 H new ATOM 0 HB3 SER A 54 17.125 6.129 12.154 1.00 0.00 H new ATOM 0 HG SER A 54 15.095 6.372 11.060 1.00 0.00 H new ATOM 801 N GLY A 55 19.875 4.562 12.104 1.00 0.00 N ATOM 802 CA GLY A 55 21.101 4.916 12.797 1.00 0.00 C ATOM 803 C GLY A 55 21.693 3.752 13.566 1.00 0.00 C ATOM 804 O GLY A 55 22.201 3.926 14.674 1.00 0.00 O ATOM 0 H GLY A 55 19.514 3.632 12.318 1.00 0.00 H new ATOM 0 HA2 GLY A 55 21.832 5.278 12.073 1.00 0.00 H new ATOM 0 HA3 GLY A 55 20.901 5.737 13.485 1.00 0.00 H new ATOM 808 N LYS A 56 21.628 2.563 12.978 1.00 0.00 N ATOM 809 CA LYS A 56 22.163 1.364 13.612 1.00 0.00 C ATOM 810 C LYS A 56 22.297 0.228 12.605 1.00 0.00 C ATOM 811 O LYS A 56 21.323 -0.162 11.960 1.00 0.00 O ATOM 812 CB LYS A 56 21.266 0.930 14.772 1.00 0.00 C ATOM 813 CG LYS A 56 22.038 0.485 16.004 1.00 0.00 C ATOM 814 CD LYS A 56 21.207 0.637 17.268 1.00 0.00 C ATOM 815 CE LYS A 56 21.263 -0.617 18.126 1.00 0.00 C ATOM 816 NZ LYS A 56 20.633 -1.783 17.448 1.00 0.00 N ATOM 0 H LYS A 56 21.209 2.404 12.062 1.00 0.00 H new ATOM 0 HA LYS A 56 23.154 1.601 13.998 1.00 0.00 H new ATOM 0 HB2 LYS A 56 20.611 1.758 15.043 1.00 0.00 H new ATOM 0 HB3 LYS A 56 20.626 0.113 14.440 1.00 0.00 H new ATOM 0 HG2 LYS A 56 22.340 -0.556 15.889 1.00 0.00 H new ATOM 0 HG3 LYS A 56 22.951 1.074 16.095 1.00 0.00 H new ATOM 0 HD2 LYS A 56 21.570 1.489 17.843 1.00 0.00 H new ATOM 0 HD3 LYS A 56 20.172 0.850 17.001 1.00 0.00 H new ATOM 0 HE2 LYS A 56 22.302 -0.851 18.360 1.00 0.00 H new ATOM 0 HE3 LYS A 56 20.757 -0.431 19.074 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 20.323 -2.473 18.161 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 19.812 -1.462 16.897 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 21.324 -2.230 16.812 1.00 0.00 H new ATOM 830 N CYS A 57 23.509 -0.299 12.477 1.00 0.00 N ATOM 831 CA CYS A 57 23.776 -1.392 11.551 1.00 0.00 C ATOM 832 C CYS A 57 23.743 -2.735 12.275 1.00 0.00 C ATOM 833 O CYS A 57 24.005 -2.810 13.475 1.00 0.00 O ATOM 834 CB CYS A 57 25.135 -1.193 10.874 1.00 0.00 C ATOM 835 SG CYS A 57 26.028 -2.740 10.513 1.00 0.00 S ATOM 0 H CYS A 57 24.324 0.014 13.004 1.00 0.00 H new ATOM 0 HA CYS A 57 22.997 -1.392 10.789 1.00 0.00 H new ATOM 0 HB2 CYS A 57 24.987 -0.647 9.942 1.00 0.00 H new ATOM 0 HB3 CYS A 57 25.758 -0.568 11.514 1.00 0.00 H new ATOM 840 N SER A 58 23.420 -3.792 11.538 1.00 0.00 N ATOM 841 CA SER A 58 23.355 -5.132 12.108 1.00 0.00 C ATOM 842 C SER A 58 23.663 -6.186 11.053 1.00 0.00 C ATOM 843 O SER A 58 22.917 -6.347 10.089 1.00 0.00 O ATOM 844 CB SER A 58 21.973 -5.389 12.710 1.00 0.00 C ATOM 845 OG SER A 58 21.694 -4.479 13.760 1.00 0.00 O ATOM 0 H SER A 58 23.199 -3.746 10.543 1.00 0.00 H new ATOM 0 HA SER A 58 24.105 -5.199 12.896 1.00 0.00 H new ATOM 0 HB2 SER A 58 21.213 -5.297 11.934 1.00 0.00 H new ATOM 0 HB3 SER A 58 21.922 -6.410 13.087 1.00 0.00 H new ATOM 0 HG SER A 58 20.804 -4.665 14.126 1.00 0.00 H new ATOM 851 N LEU A 59 24.765 -6.904 11.243 1.00 0.00 N ATOM 852 CA LEU A 59 25.164 -7.944 10.305 1.00 0.00 C ATOM 853 C LEU A 59 24.623 -9.298 10.750 1.00 0.00 C ATOM 854 O LEU A 59 24.455 -9.547 11.943 1.00 0.00 O ATOM 855 CB LEU A 59 26.690 -8.002 10.170 1.00 0.00 C ATOM 856 CG LEU A 59 27.476 -7.212 11.222 1.00 0.00 C ATOM 857 CD1 LEU A 59 28.854 -7.826 11.424 1.00 0.00 C ATOM 858 CD2 LEU A 59 27.598 -5.753 10.817 1.00 0.00 C ATOM 0 H LEU A 59 25.395 -6.784 12.036 1.00 0.00 H new ATOM 0 HA LEU A 59 24.742 -7.700 9.330 1.00 0.00 H new ATOM 0 HB2 LEU A 59 27.002 -9.045 10.216 1.00 0.00 H new ATOM 0 HB3 LEU A 59 26.964 -7.631 9.182 1.00 0.00 H new ATOM 0 HG LEU A 59 26.932 -7.260 12.165 1.00 0.00 H new ATOM 0 HD11 LEU A 59 29.401 -7.254 12.174 1.00 0.00 H new ATOM 0 HD12 LEU A 59 28.747 -8.857 11.761 1.00 0.00 H new ATOM 0 HD13 LEU A 59 29.402 -7.807 10.482 1.00 0.00 H new ATOM 0 HD21 LEU A 59 28.159 -5.210 11.577 1.00 0.00 H new ATOM 0 HD22 LEU A 59 28.119 -5.683 9.862 1.00 0.00 H new ATOM 0 HD23 LEU A 59 26.603 -5.318 10.720 1.00 0.00 H new ATOM 870 N PHE A 60 24.342 -10.167 9.784 1.00 0.00 N ATOM 871 CA PHE A 60 23.812 -11.494 10.082 1.00 0.00 C ATOM 872 C PHE A 60 24.503 -12.562 9.240 1.00 0.00 C ATOM 873 O PHE A 60 24.477 -12.510 8.011 1.00 0.00 O ATOM 874 CB PHE A 60 22.301 -11.528 9.833 1.00 0.00 C ATOM 875 CG PHE A 60 21.561 -10.397 10.487 1.00 0.00 C ATOM 876 CD1 PHE A 60 21.181 -10.476 11.818 1.00 0.00 C ATOM 877 CD2 PHE A 60 21.248 -9.251 9.774 1.00 0.00 C ATOM 878 CE1 PHE A 60 20.506 -9.434 12.424 1.00 0.00 C ATOM 879 CE2 PHE A 60 20.571 -8.207 10.374 1.00 0.00 C ATOM 880 CZ PHE A 60 20.200 -8.298 11.701 1.00 0.00 C ATOM 0 H PHE A 60 24.472 -9.977 8.790 1.00 0.00 H new ATOM 0 HA PHE A 60 24.007 -11.708 11.133 1.00 0.00 H new ATOM 0 HB2 PHE A 60 22.117 -11.499 8.759 1.00 0.00 H new ATOM 0 HB3 PHE A 60 21.901 -12.473 10.200 1.00 0.00 H new ATOM 0 HD1 PHE A 60 21.416 -11.363 12.388 1.00 0.00 H new ATOM 0 HD2 PHE A 60 21.537 -9.173 8.736 1.00 0.00 H new ATOM 0 HE1 PHE A 60 20.218 -9.508 13.462 1.00 0.00 H new ATOM 0 HE2 PHE A 60 20.332 -7.320 9.806 1.00 0.00 H new ATOM 0 HZ PHE A 60 19.672 -7.482 12.172 1.00 0.00 H new ATOM 890 N ALA A 61 25.117 -13.530 9.913 1.00 0.00 N ATOM 891 CA ALA A 61 25.815 -14.613 9.230 1.00 0.00 C ATOM 892 C ALA A 61 24.858 -15.422 8.362 1.00 0.00 C ATOM 893 O ALA A 61 24.798 -15.238 7.147 1.00 0.00 O ATOM 894 CB ALA A 61 26.507 -15.516 10.241 1.00 0.00 C ATOM 0 H ALA A 61 25.145 -13.586 10.931 1.00 0.00 H new ATOM 0 HA ALA A 61 26.569 -14.172 8.578 1.00 0.00 H new ATOM 0 HB1 ALA A 61 27.024 -16.320 9.717 1.00 0.00 H new ATOM 0 HB2 ALA A 61 27.228 -14.934 10.815 1.00 0.00 H new ATOM 0 HB3 ALA A 61 25.765 -15.942 10.917 1.00 0.00 H new ATOM 900 N ASP A 62 24.110 -16.319 8.996 1.00 0.00 N ATOM 901 CA ASP A 62 23.153 -17.159 8.287 1.00 0.00 C ATOM 902 C ASP A 62 21.729 -16.656 8.494 1.00 0.00 C ATOM 903 O ASP A 62 21.386 -16.156 9.565 1.00 0.00 O ATOM 904 CB ASP A 62 23.268 -18.610 8.757 1.00 0.00 C ATOM 905 CG ASP A 62 23.310 -19.591 7.602 1.00 0.00 C ATOM 906 OD1 ASP A 62 22.311 -19.674 6.858 1.00 0.00 O ATOM 907 OD2 ASP A 62 24.342 -20.276 7.443 1.00 0.00 O ATOM 0 H ASP A 62 24.149 -16.483 10.002 1.00 0.00 H new ATOM 0 HA ASP A 62 23.385 -17.111 7.223 1.00 0.00 H new ATOM 0 HB2 ASP A 62 24.169 -18.723 9.359 1.00 0.00 H new ATOM 0 HB3 ASP A 62 22.422 -18.848 9.402 1.00 0.00 H new ATOM 912 N ASP A 63 20.902 -16.794 7.462 1.00 0.00 N ATOM 913 CA ASP A 63 19.513 -16.355 7.530 1.00 0.00 C ATOM 914 C ASP A 63 18.695 -17.279 8.425 1.00 0.00 C ATOM 915 O ASP A 63 18.374 -18.405 8.044 1.00 0.00 O ATOM 916 CB ASP A 63 18.901 -16.310 6.129 1.00 0.00 C ATOM 917 CG ASP A 63 19.438 -15.162 5.298 1.00 0.00 C ATOM 918 OD1 ASP A 63 19.474 -14.024 5.811 1.00 0.00 O ATOM 919 OD2 ASP A 63 19.820 -15.399 4.133 1.00 0.00 O ATOM 0 H ASP A 63 21.170 -17.207 6.569 1.00 0.00 H new ATOM 0 HA ASP A 63 19.495 -15.353 7.959 1.00 0.00 H new ATOM 0 HB2 ASP A 63 19.104 -17.251 5.617 1.00 0.00 H new ATOM 0 HB3 ASP A 63 17.818 -16.219 6.212 1.00 0.00 H new ATOM 924 N ALA A 64 18.360 -16.796 9.618 1.00 0.00 N ATOM 925 CA ALA A 64 17.580 -17.579 10.569 1.00 0.00 C ATOM 926 C ALA A 64 16.099 -17.225 10.487 1.00 0.00 C ATOM 927 O ALA A 64 15.315 -17.934 9.855 1.00 0.00 O ATOM 928 CB ALA A 64 18.101 -17.364 11.982 1.00 0.00 C ATOM 0 H ALA A 64 18.617 -15.866 9.948 1.00 0.00 H new ATOM 0 HA ALA A 64 17.688 -18.633 10.311 1.00 0.00 H new ATOM 0 HB1 ALA A 64 17.510 -17.955 12.682 1.00 0.00 H new ATOM 0 HB2 ALA A 64 19.144 -17.675 12.036 1.00 0.00 H new ATOM 0 HB3 ALA A 64 18.023 -16.308 12.242 1.00 0.00 H new ATOM 934 N ALA A 65 15.724 -16.125 11.130 1.00 0.00 N ATOM 935 CA ALA A 65 14.339 -15.674 11.132 1.00 0.00 C ATOM 936 C ALA A 65 14.257 -14.152 11.179 1.00 0.00 C ATOM 937 O ALA A 65 13.233 -13.586 11.563 1.00 0.00 O ATOM 938 CB ALA A 65 13.588 -16.281 12.309 1.00 0.00 C ATOM 0 H ALA A 65 16.362 -15.529 11.657 1.00 0.00 H new ATOM 0 HA ALA A 65 13.873 -16.009 10.205 1.00 0.00 H new ATOM 0 HB1 ALA A 65 12.554 -15.935 12.298 1.00 0.00 H new ATOM 0 HB2 ALA A 65 13.608 -17.368 12.232 1.00 0.00 H new ATOM 0 HB3 ALA A 65 14.063 -15.975 13.241 1.00 0.00 H new ATOM 944 N LEU A 66 15.344 -13.494 10.786 1.00 0.00 N ATOM 945 CA LEU A 66 15.397 -12.036 10.783 1.00 0.00 C ATOM 946 C LEU A 66 14.370 -11.456 9.817 1.00 0.00 C ATOM 947 O LEU A 66 14.556 -11.494 8.600 1.00 0.00 O ATOM 948 CB LEU A 66 16.800 -11.554 10.407 1.00 0.00 C ATOM 949 CG LEU A 66 17.526 -12.413 9.369 1.00 0.00 C ATOM 950 CD1 LEU A 66 17.805 -11.606 8.110 1.00 0.00 C ATOM 951 CD2 LEU A 66 18.818 -12.968 9.948 1.00 0.00 C ATOM 0 H LEU A 66 16.200 -13.948 10.466 1.00 0.00 H new ATOM 0 HA LEU A 66 15.160 -11.688 11.788 1.00 0.00 H new ATOM 0 HB2 LEU A 66 16.727 -10.535 10.026 1.00 0.00 H new ATOM 0 HB3 LEU A 66 17.408 -11.513 11.311 1.00 0.00 H new ATOM 0 HG LEU A 66 16.882 -13.251 9.102 1.00 0.00 H new ATOM 0 HD11 LEU A 66 18.322 -12.233 7.383 1.00 0.00 H new ATOM 0 HD12 LEU A 66 16.864 -11.258 7.685 1.00 0.00 H new ATOM 0 HD13 LEU A 66 18.430 -10.748 8.359 1.00 0.00 H new ATOM 0 HD21 LEU A 66 19.322 -13.576 9.197 1.00 0.00 H new ATOM 0 HD22 LEU A 66 19.468 -12.144 10.243 1.00 0.00 H new ATOM 0 HD23 LEU A 66 18.592 -13.582 10.820 1.00 0.00 H new ATOM 963 N ARG A 67 13.285 -10.919 10.366 1.00 0.00 N ATOM 964 CA ARG A 67 12.226 -10.330 9.555 1.00 0.00 C ATOM 965 C ARG A 67 12.262 -8.805 9.631 1.00 0.00 C ATOM 966 O ARG A 67 12.866 -8.235 10.538 1.00 0.00 O ATOM 967 CB ARG A 67 10.859 -10.841 10.012 1.00 0.00 C ATOM 968 CG ARG A 67 10.473 -12.178 9.400 1.00 0.00 C ATOM 969 CD ARG A 67 9.215 -12.742 10.042 1.00 0.00 C ATOM 970 NE ARG A 67 8.076 -11.838 9.904 1.00 0.00 N ATOM 971 CZ ARG A 67 7.468 -11.256 10.932 1.00 0.00 C ATOM 972 NH1 ARG A 67 7.886 -11.482 12.171 1.00 0.00 N ATOM 973 NH2 ARG A 67 6.438 -10.446 10.723 1.00 0.00 N ATOM 0 H ARG A 67 13.116 -10.880 11.371 1.00 0.00 H new ATOM 0 HA ARG A 67 12.391 -10.628 8.520 1.00 0.00 H new ATOM 0 HB2 ARG A 67 10.860 -10.935 11.098 1.00 0.00 H new ATOM 0 HB3 ARG A 67 10.100 -10.101 9.757 1.00 0.00 H new ATOM 0 HG2 ARG A 67 10.313 -12.056 8.329 1.00 0.00 H new ATOM 0 HG3 ARG A 67 11.293 -12.885 9.521 1.00 0.00 H new ATOM 0 HD2 ARG A 67 8.974 -13.701 9.584 1.00 0.00 H new ATOM 0 HD3 ARG A 67 9.401 -12.931 11.099 1.00 0.00 H new ATOM 0 HE ARG A 67 7.728 -11.643 8.965 1.00 0.00 H new ATOM 0 HH11 ARG A 67 8.677 -12.104 12.337 1.00 0.00 H new ATOM 0 HH12 ARG A 67 7.416 -11.033 12.957 1.00 0.00 H new ATOM 0 HH21 ARG A 67 6.112 -10.270 9.773 1.00 0.00 H new ATOM 0 HH22 ARG A 67 5.972 -10.000 11.513 1.00 0.00 H new ATOM 987 N PRO A 68 11.608 -8.121 8.676 1.00 0.00 N ATOM 988 CA PRO A 68 11.566 -6.655 8.639 1.00 0.00 C ATOM 989 C PRO A 68 10.711 -6.071 9.759 1.00 0.00 C ATOM 990 O PRO A 68 9.983 -6.796 10.439 1.00 0.00 O ATOM 991 CB PRO A 68 10.939 -6.354 7.277 1.00 0.00 C ATOM 992 CG PRO A 68 10.115 -7.555 6.969 1.00 0.00 C ATOM 993 CD PRO A 68 10.856 -8.723 7.559 1.00 0.00 C ATOM 0 HA PRO A 68 12.554 -6.215 8.776 1.00 0.00 H new ATOM 0 HB2 PRO A 68 10.328 -5.452 7.313 1.00 0.00 H new ATOM 0 HB3 PRO A 68 11.703 -6.191 6.516 1.00 0.00 H new ATOM 0 HG2 PRO A 68 9.118 -7.466 7.400 1.00 0.00 H new ATOM 0 HG3 PRO A 68 9.987 -7.676 5.893 1.00 0.00 H new ATOM 0 HD2 PRO A 68 10.173 -9.498 7.906 1.00 0.00 H new ATOM 0 HD3 PRO A 68 11.521 -9.187 6.830 1.00 0.00 H new ATOM 1001 N THR A 69 10.805 -4.757 9.947 1.00 0.00 N ATOM 1002 CA THR A 69 10.038 -4.077 10.986 1.00 0.00 C ATOM 1003 C THR A 69 10.128 -2.562 10.839 1.00 0.00 C ATOM 1004 O THR A 69 9.260 -1.830 11.314 1.00 0.00 O ATOM 1005 CB THR A 69 10.528 -4.471 12.392 1.00 0.00 C ATOM 1006 OG1 THR A 69 9.786 -3.755 13.387 1.00 0.00 O ATOM 1007 CG2 THR A 69 12.012 -4.177 12.551 1.00 0.00 C ATOM 0 H THR A 69 11.404 -4.143 9.394 1.00 0.00 H new ATOM 0 HA THR A 69 9.001 -4.389 10.866 1.00 0.00 H new ATOM 0 HB THR A 69 10.370 -5.542 12.521 1.00 0.00 H new ATOM 0 HG1 THR A 69 10.102 -4.012 14.278 1.00 0.00 H new ATOM 0 HG21 THR A 69 12.335 -4.464 13.552 1.00 0.00 H new ATOM 0 HG22 THR A 69 12.577 -4.745 11.811 1.00 0.00 H new ATOM 0 HG23 THR A 69 12.190 -3.112 12.404 1.00 0.00 H new ATOM 1015 N LYS A 70 11.187 -2.096 10.182 1.00 0.00 N ATOM 1016 CA LYS A 70 11.393 -0.667 9.980 1.00 0.00 C ATOM 1017 C LYS A 70 10.731 -0.189 8.691 1.00 0.00 C ATOM 1018 O LYS A 70 9.807 -0.824 8.182 1.00 0.00 O ATOM 1019 CB LYS A 70 12.889 -0.346 9.950 1.00 0.00 C ATOM 1020 CG LYS A 70 13.371 0.423 11.170 1.00 0.00 C ATOM 1021 CD LYS A 70 13.671 1.874 10.830 1.00 0.00 C ATOM 1022 CE LYS A 70 12.409 2.722 10.841 1.00 0.00 C ATOM 1023 NZ LYS A 70 11.902 2.946 12.223 1.00 0.00 N ATOM 0 H LYS A 70 11.915 -2.688 9.781 1.00 0.00 H new ATOM 0 HA LYS A 70 10.930 -0.141 10.815 1.00 0.00 H new ATOM 0 HB2 LYS A 70 13.450 -1.277 9.873 1.00 0.00 H new ATOM 0 HB3 LYS A 70 13.110 0.235 9.054 1.00 0.00 H new ATOM 0 HG2 LYS A 70 12.612 0.381 11.952 1.00 0.00 H new ATOM 0 HG3 LYS A 70 14.267 -0.051 11.570 1.00 0.00 H new ATOM 0 HD2 LYS A 70 14.387 2.276 11.547 1.00 0.00 H new ATOM 0 HD3 LYS A 70 14.139 1.929 9.847 1.00 0.00 H new ATOM 0 HE2 LYS A 70 12.613 3.683 10.369 1.00 0.00 H new ATOM 0 HE3 LYS A 70 11.638 2.233 10.246 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 11.233 3.742 12.223 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 11.419 2.088 12.559 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 12.699 3.164 12.854 1.00 0.00 H new ATOM 1037 N SER A 71 11.210 0.938 8.169 1.00 0.00 N ATOM 1038 CA SER A 71 10.668 1.506 6.939 1.00 0.00 C ATOM 1039 C SER A 71 11.787 1.827 5.952 1.00 0.00 C ATOM 1040 O SER A 71 12.865 1.236 6.012 1.00 0.00 O ATOM 1041 CB SER A 71 9.862 2.769 7.250 1.00 0.00 C ATOM 1042 OG SER A 71 8.482 2.477 7.380 1.00 0.00 O ATOM 0 H SER A 71 11.973 1.476 8.580 1.00 0.00 H new ATOM 0 HA SER A 71 10.008 0.768 6.483 1.00 0.00 H new ATOM 0 HB2 SER A 71 10.229 3.220 8.172 1.00 0.00 H new ATOM 0 HB3 SER A 71 10.008 3.502 6.456 1.00 0.00 H new ATOM 0 HG SER A 71 7.991 3.301 7.580 1.00 0.00 H new ATOM 1048 N ASP A 72 11.525 2.764 5.045 1.00 0.00 N ATOM 1049 CA ASP A 72 12.512 3.161 4.046 1.00 0.00 C ATOM 1050 C ASP A 72 13.747 3.767 4.706 1.00 0.00 C ATOM 1051 O ASP A 72 14.802 3.881 4.081 1.00 0.00 O ATOM 1052 CB ASP A 72 11.900 4.164 3.066 1.00 0.00 C ATOM 1053 CG ASP A 72 11.698 3.572 1.685 1.00 0.00 C ATOM 1054 OD1 ASP A 72 10.978 2.558 1.573 1.00 0.00 O ATOM 1055 OD2 ASP A 72 12.259 4.124 0.715 1.00 0.00 O ATOM 0 H ASP A 72 10.637 3.262 4.981 1.00 0.00 H new ATOM 0 HA ASP A 72 12.817 2.268 3.501 1.00 0.00 H new ATOM 0 HB2 ASP A 72 10.942 4.509 3.454 1.00 0.00 H new ATOM 0 HB3 ASP A 72 12.547 5.038 2.993 1.00 0.00 H new ATOM 1060 N GLY A 73 13.609 4.156 5.969 1.00 0.00 N ATOM 1061 CA GLY A 73 14.722 4.746 6.692 1.00 0.00 C ATOM 1062 C GLY A 73 15.840 3.755 6.947 1.00 0.00 C ATOM 1063 O GLY A 73 16.950 4.141 7.314 1.00 0.00 O ATOM 0 H GLY A 73 12.746 4.073 6.506 1.00 0.00 H new ATOM 0 HA2 GLY A 73 15.112 5.591 6.125 1.00 0.00 H new ATOM 0 HA3 GLY A 73 14.365 5.139 7.644 1.00 0.00 H new ATOM 1067 N ALA A 74 15.548 2.472 6.754 1.00 0.00 N ATOM 1068 CA ALA A 74 16.534 1.420 6.964 1.00 0.00 C ATOM 1069 C ALA A 74 16.878 0.721 5.653 1.00 0.00 C ATOM 1070 O ALA A 74 16.000 0.459 4.830 1.00 0.00 O ATOM 1071 CB ALA A 74 16.020 0.415 7.983 1.00 0.00 C ATOM 0 H ALA A 74 14.633 2.137 6.452 1.00 0.00 H new ATOM 0 HA ALA A 74 17.445 1.878 7.349 1.00 0.00 H new ATOM 0 HB1 ALA A 74 16.765 -0.366 8.131 1.00 0.00 H new ATOM 0 HB2 ALA A 74 15.831 0.921 8.930 1.00 0.00 H new ATOM 0 HB3 ALA A 74 15.094 -0.031 7.619 1.00 0.00 H new ATOM 1077 N VAL A 75 18.159 0.419 5.465 1.00 0.00 N ATOM 1078 CA VAL A 75 18.618 -0.251 4.253 1.00 0.00 C ATOM 1079 C VAL A 75 19.508 -1.444 4.588 1.00 0.00 C ATOM 1080 O VAL A 75 20.355 -1.367 5.478 1.00 0.00 O ATOM 1081 CB VAL A 75 19.395 0.709 3.329 1.00 0.00 C ATOM 1082 CG1 VAL A 75 18.864 0.628 1.906 1.00 0.00 C ATOM 1083 CG2 VAL A 75 19.328 2.137 3.849 1.00 0.00 C ATOM 0 H VAL A 75 18.898 0.628 6.137 1.00 0.00 H new ATOM 0 HA VAL A 75 17.726 -0.597 3.732 1.00 0.00 H new ATOM 0 HB VAL A 75 20.441 0.402 3.323 1.00 0.00 H new ATOM 0 HG11 VAL A 75 19.424 1.312 1.269 1.00 0.00 H new ATOM 0 HG12 VAL A 75 18.977 -0.390 1.533 1.00 0.00 H new ATOM 0 HG13 VAL A 75 17.809 0.904 1.895 1.00 0.00 H new ATOM 0 HG21 VAL A 75 19.883 2.794 3.180 1.00 0.00 H new ATOM 0 HG22 VAL A 75 18.288 2.460 3.893 1.00 0.00 H new ATOM 0 HG23 VAL A 75 19.765 2.182 4.847 1.00 0.00 H new ATOM 1093 N SER A 76 19.310 -2.544 3.869 1.00 0.00 N ATOM 1094 CA SER A 76 20.096 -3.753 4.092 1.00 0.00 C ATOM 1095 C SER A 76 20.852 -4.152 2.828 1.00 0.00 C ATOM 1096 O SER A 76 20.830 -3.433 1.828 1.00 0.00 O ATOM 1097 CB SER A 76 19.189 -4.901 4.541 1.00 0.00 C ATOM 1098 OG SER A 76 18.224 -5.207 3.549 1.00 0.00 O ATOM 0 H SER A 76 18.613 -2.624 3.128 1.00 0.00 H new ATOM 0 HA SER A 76 20.822 -3.544 4.878 1.00 0.00 H new ATOM 0 HB2 SER A 76 19.792 -5.784 4.751 1.00 0.00 H new ATOM 0 HB3 SER A 76 18.687 -4.630 5.470 1.00 0.00 H new ATOM 0 HG SER A 76 17.658 -5.945 3.859 1.00 0.00 H new ATOM 1104 N GLY A 77 21.518 -5.302 2.879 1.00 0.00 N ATOM 1105 CA GLY A 77 22.271 -5.775 1.733 1.00 0.00 C ATOM 1106 C GLY A 77 22.588 -7.255 1.817 1.00 0.00 C ATOM 1107 O GLY A 77 22.330 -7.895 2.837 1.00 0.00 O ATOM 0 H GLY A 77 21.549 -5.914 3.694 1.00 0.00 H new ATOM 0 HA2 GLY A 77 21.703 -5.579 0.823 1.00 0.00 H new ATOM 0 HA3 GLY A 77 23.201 -5.211 1.656 1.00 0.00 H new