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= 0.0815 USER MOD Single : A 21 THR OG1 : rot 180:sc= -0.451 USER MOD Single : A 24 LYS NZ :NH3+ 154:sc= -0.0769 (180deg=-0.526) USER MOD Single : A 27 SER OG : rot 171:sc=0.000999 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= 0.0268 USER MOD Single : A 35 GLN : amide:sc= -0.178 X(o=-0.18,f=0) USER MOD Single : A 38 GLN : amide:sc= -0.0314 X(o=-0.031,f=-0.026) 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 -141:sc= 0.361 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 69 THR OG1 : rot 180:sc= -0.295 USER MOD Single : A 70 LYS NZ :NH3+ -178:sc= 0.317 (180deg=0.315) USER MOD Single : A 71 SER OG : rot 130:sc= 0 USER MOD Single : A 76 SER OG : rot -107:sc= 0.265 USER MOD ----------------------------------------------------------------- ATOM 268 N VAL A 18 13.423 -1.772 4.826 1.00 0.00 N ATOM 269 CA VAL A 18 13.315 -1.538 6.262 1.00 0.00 C ATOM 270 C VAL A 18 14.404 -2.285 7.029 1.00 0.00 C ATOM 271 O VAL A 18 15.194 -3.024 6.442 1.00 0.00 O ATOM 272 CB VAL A 18 11.926 -1.959 6.798 1.00 0.00 C ATOM 273 CG1 VAL A 18 10.857 -1.737 5.740 1.00 0.00 C ATOM 274 CG2 VAL A 18 11.930 -3.410 7.256 1.00 0.00 C ATOM 0 HA VAL A 18 13.444 -0.467 6.420 1.00 0.00 H new ATOM 0 HB VAL A 18 11.696 -1.335 7.662 1.00 0.00 H new ATOM 0 HG11 VAL A 18 9.887 -2.039 6.134 1.00 0.00 H new ATOM 0 HG12 VAL A 18 10.827 -0.682 5.469 1.00 0.00 H new ATOM 0 HG13 VAL A 18 11.090 -2.332 4.857 1.00 0.00 H new ATOM 0 HG21 VAL A 18 10.941 -3.677 7.627 1.00 0.00 H new ATOM 0 HG22 VAL A 18 12.189 -4.056 6.417 1.00 0.00 H new ATOM 0 HG23 VAL A 18 12.663 -3.538 8.052 1.00 0.00 H new ATOM 284 N SER A 19 14.435 -2.090 8.346 1.00 0.00 N ATOM 285 CA SER A 19 15.421 -2.749 9.196 1.00 0.00 C ATOM 286 C SER A 19 15.157 -4.249 9.264 1.00 0.00 C ATOM 287 O SER A 19 14.429 -4.796 8.435 1.00 0.00 O ATOM 288 CB SER A 19 15.396 -2.147 10.603 1.00 0.00 C ATOM 289 OG SER A 19 16.657 -2.279 11.237 1.00 0.00 O ATOM 0 H SER A 19 13.788 -1.481 8.846 1.00 0.00 H new ATOM 0 HA SER A 19 16.408 -2.591 8.761 1.00 0.00 H new ATOM 0 HB2 SER A 19 15.123 -1.093 10.546 1.00 0.00 H new ATOM 0 HB3 SER A 19 14.631 -2.643 11.201 1.00 0.00 H new ATOM 0 HG SER A 19 16.615 -1.885 12.133 1.00 0.00 H new ATOM 295 N PHE A 20 15.747 -4.913 10.254 1.00 0.00 N ATOM 296 CA PHE A 20 15.563 -6.350 10.416 1.00 0.00 C ATOM 297 C PHE A 20 15.245 -6.710 11.860 1.00 0.00 C ATOM 298 O PHE A 20 15.690 -6.040 12.793 1.00 0.00 O ATOM 299 CB PHE A 20 16.809 -7.105 9.947 1.00 0.00 C ATOM 300 CG PHE A 20 16.716 -7.613 8.534 1.00 0.00 C ATOM 301 CD1 PHE A 20 15.500 -7.640 7.867 1.00 0.00 C ATOM 302 CD2 PHE A 20 17.846 -8.061 7.871 1.00 0.00 C ATOM 303 CE1 PHE A 20 15.414 -8.102 6.570 1.00 0.00 C ATOM 304 CE2 PHE A 20 17.767 -8.524 6.572 1.00 0.00 C ATOM 305 CZ PHE A 20 16.549 -8.547 5.921 1.00 0.00 C ATOM 0 H PHE A 20 16.353 -4.481 10.952 1.00 0.00 H new ATOM 0 HA PHE A 20 14.714 -6.647 9.800 1.00 0.00 H new ATOM 0 HB2 PHE A 20 17.674 -6.447 10.030 1.00 0.00 H new ATOM 0 HB3 PHE A 20 16.984 -7.948 10.615 1.00 0.00 H new ATOM 0 HD1 PHE A 20 14.609 -7.295 8.370 1.00 0.00 H new ATOM 0 HD2 PHE A 20 18.801 -8.048 8.376 1.00 0.00 H new ATOM 0 HE1 PHE A 20 14.461 -8.116 6.063 1.00 0.00 H new ATOM 0 HE2 PHE A 20 18.657 -8.868 6.066 1.00 0.00 H new ATOM 0 HZ PHE A 20 16.484 -8.912 4.907 1.00 0.00 H new ATOM 315 N THR A 21 14.470 -7.777 12.036 1.00 0.00 N ATOM 316 CA THR A 21 14.087 -8.233 13.368 1.00 0.00 C ATOM 317 C THR A 21 13.745 -9.718 13.363 1.00 0.00 C ATOM 318 O THR A 21 13.722 -10.358 12.311 1.00 0.00 O ATOM 319 CB THR A 21 12.883 -7.438 13.908 1.00 0.00 C ATOM 320 OG1 THR A 21 12.439 -7.993 15.152 1.00 0.00 O ATOM 321 CG2 THR A 21 11.736 -7.445 12.907 1.00 0.00 C ATOM 0 H THR A 21 14.095 -8.341 11.273 1.00 0.00 H new ATOM 0 HA THR A 21 14.944 -8.065 14.020 1.00 0.00 H new ATOM 0 HB THR A 21 13.203 -6.408 14.067 1.00 0.00 H new ATOM 0 HG1 THR A 21 11.675 -7.478 15.486 1.00 0.00 H new ATOM 0 HG21 THR A 21 10.897 -6.877 13.311 1.00 0.00 H new ATOM 0 HG22 THR A 21 12.066 -6.991 11.973 1.00 0.00 H new ATOM 0 HG23 THR A 21 11.423 -8.472 12.720 1.00 0.00 H new ATOM 329 N GLY A 22 13.482 -10.261 14.546 1.00 0.00 N ATOM 330 CA GLY A 22 13.145 -11.668 14.661 1.00 0.00 C ATOM 331 C GLY A 22 14.350 -12.522 15.004 1.00 0.00 C ATOM 332 O GLY A 22 14.362 -13.209 16.025 1.00 0.00 O ATOM 0 H GLY A 22 13.496 -9.751 15.429 1.00 0.00 H new ATOM 0 HA2 GLY A 22 12.382 -11.795 15.429 1.00 0.00 H new ATOM 0 HA3 GLY A 22 12.713 -12.014 13.722 1.00 0.00 H new ATOM 336 N GLY A 23 15.366 -12.476 14.148 1.00 0.00 N ATOM 337 CA GLY A 23 16.570 -13.253 14.382 1.00 0.00 C ATOM 338 C GLY A 23 17.549 -12.537 15.291 1.00 0.00 C ATOM 339 O GLY A 23 17.269 -11.438 15.772 1.00 0.00 O ATOM 0 H GLY A 23 15.377 -11.915 13.296 1.00 0.00 H new ATOM 0 HA2 GLY A 23 16.301 -14.212 14.825 1.00 0.00 H new ATOM 0 HA3 GLY A 23 17.053 -13.467 13.428 1.00 0.00 H new ATOM 343 N LYS A 24 18.700 -13.157 15.527 1.00 0.00 N ATOM 344 CA LYS A 24 19.722 -12.572 16.383 1.00 0.00 C ATOM 345 C LYS A 24 20.967 -12.222 15.572 1.00 0.00 C ATOM 346 O LYS A 24 21.587 -13.092 14.958 1.00 0.00 O ATOM 347 CB LYS A 24 20.064 -13.540 17.524 1.00 0.00 C ATOM 348 CG LYS A 24 21.545 -13.612 17.862 1.00 0.00 C ATOM 349 CD LYS A 24 21.944 -12.529 18.851 1.00 0.00 C ATOM 350 CE LYS A 24 21.985 -13.062 20.274 1.00 0.00 C ATOM 351 NZ LYS A 24 23.042 -14.095 20.450 1.00 0.00 N ATOM 0 H LYS A 24 18.948 -14.066 15.136 1.00 0.00 H new ATOM 0 HA LYS A 24 19.335 -11.649 16.815 1.00 0.00 H new ATOM 0 HB2 LYS A 24 19.514 -13.240 18.416 1.00 0.00 H new ATOM 0 HB3 LYS A 24 19.716 -14.537 17.255 1.00 0.00 H new ATOM 0 HG2 LYS A 24 21.777 -14.591 18.280 1.00 0.00 H new ATOM 0 HG3 LYS A 24 22.133 -13.508 16.950 1.00 0.00 H new ATOM 0 HD2 LYS A 24 22.923 -12.132 18.582 1.00 0.00 H new ATOM 0 HD3 LYS A 24 21.237 -11.702 18.791 1.00 0.00 H new ATOM 0 HE2 LYS A 24 22.164 -12.238 20.965 1.00 0.00 H new ATOM 0 HE3 LYS A 24 21.015 -13.488 20.530 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 23.344 -14.116 21.445 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 22.665 -15.027 20.182 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 23.857 -13.865 19.846 1.00 0.00 H new ATOM 365 N ALA A 25 21.325 -10.942 15.571 1.00 0.00 N ATOM 366 CA ALA A 25 22.493 -10.474 14.834 1.00 0.00 C ATOM 367 C ALA A 25 23.784 -10.957 15.483 1.00 0.00 C ATOM 368 O ALA A 25 23.814 -11.276 16.670 1.00 0.00 O ATOM 369 CB ALA A 25 22.485 -8.956 14.747 1.00 0.00 C ATOM 0 H ALA A 25 20.822 -10.210 16.073 1.00 0.00 H new ATOM 0 HA ALA A 25 22.446 -10.889 13.827 1.00 0.00 H new ATOM 0 HB1 ALA A 25 23.362 -8.619 14.195 1.00 0.00 H new ATOM 0 HB2 ALA A 25 21.583 -8.626 14.232 1.00 0.00 H new ATOM 0 HB3 ALA A 25 22.505 -8.534 15.752 1.00 0.00 H new ATOM 375 N ILE A 26 24.853 -10.996 14.694 1.00 0.00 N ATOM 376 CA ILE A 26 26.155 -11.426 15.189 1.00 0.00 C ATOM 377 C ILE A 26 27.006 -10.221 15.560 1.00 0.00 C ATOM 378 O ILE A 26 27.955 -10.327 16.338 1.00 0.00 O ATOM 379 CB ILE A 26 26.910 -12.269 14.143 1.00 0.00 C ATOM 380 CG1 ILE A 26 27.180 -11.439 12.886 1.00 0.00 C ATOM 381 CG2 ILE A 26 26.117 -13.520 13.798 1.00 0.00 C ATOM 382 CD1 ILE A 26 28.605 -10.941 12.776 1.00 0.00 C ATOM 0 H ILE A 26 24.843 -10.735 13.708 1.00 0.00 H new ATOM 0 HA ILE A 26 25.977 -12.041 16.071 1.00 0.00 H new ATOM 0 HB ILE A 26 27.867 -12.575 14.566 1.00 0.00 H new ATOM 0 HG12 ILE A 26 26.947 -12.041 12.008 1.00 0.00 H new ATOM 0 HG13 ILE A 26 26.504 -10.584 12.875 1.00 0.00 H new ATOM 0 HG21 ILE A 26 26.664 -14.105 13.058 1.00 0.00 H new ATOM 0 HG22 ILE A 26 25.971 -14.118 14.698 1.00 0.00 H new ATOM 0 HG23 ILE A 26 25.147 -13.235 13.391 1.00 0.00 H new ATOM 0 HD11 ILE A 26 28.718 -10.361 11.860 1.00 0.00 H new ATOM 0 HD12 ILE A 26 28.838 -10.311 13.635 1.00 0.00 H new ATOM 0 HD13 ILE A 26 29.287 -11.791 12.754 1.00 0.00 H new ATOM 394 N SER A 27 26.656 -9.075 14.989 1.00 0.00 N ATOM 395 CA SER A 27 27.376 -7.836 15.241 1.00 0.00 C ATOM 396 C SER A 27 26.568 -6.642 14.756 1.00 0.00 C ATOM 397 O SER A 27 25.921 -6.700 13.711 1.00 0.00 O ATOM 398 CB SER A 27 28.735 -7.868 14.548 1.00 0.00 C ATOM 399 OG SER A 27 29.663 -7.013 15.196 1.00 0.00 O ATOM 0 H SER A 27 25.872 -8.980 14.344 1.00 0.00 H new ATOM 0 HA SER A 27 27.530 -7.737 16.316 1.00 0.00 H new ATOM 0 HB2 SER A 27 29.119 -8.888 14.543 1.00 0.00 H new ATOM 0 HB3 SER A 27 28.622 -7.564 13.507 1.00 0.00 H new ATOM 0 HG SER A 27 30.558 -7.159 14.823 1.00 0.00 H new ATOM 405 N GLU A 28 26.602 -5.563 15.526 1.00 0.00 N ATOM 406 CA GLU A 28 25.865 -4.356 15.181 1.00 0.00 C ATOM 407 C GLU A 28 26.694 -3.112 15.476 1.00 0.00 C ATOM 408 O GLU A 28 27.415 -3.055 16.473 1.00 0.00 O ATOM 409 CB GLU A 28 24.551 -4.300 15.962 1.00 0.00 C ATOM 410 CG GLU A 28 24.103 -5.647 16.507 1.00 0.00 C ATOM 411 CD GLU A 28 23.742 -5.591 17.979 1.00 0.00 C ATOM 412 OE1 GLU A 28 22.883 -4.762 18.347 1.00 0.00 O ATOM 413 OE2 GLU A 28 24.317 -6.376 18.762 1.00 0.00 O ATOM 0 H GLU A 28 27.133 -5.499 16.395 1.00 0.00 H new ATOM 0 HA GLU A 28 25.648 -4.383 14.113 1.00 0.00 H new ATOM 0 HB2 GLU A 28 24.662 -3.602 16.791 1.00 0.00 H new ATOM 0 HB3 GLU A 28 23.770 -3.903 15.313 1.00 0.00 H new ATOM 0 HG2 GLU A 28 23.241 -5.996 15.939 1.00 0.00 H new ATOM 0 HG3 GLU A 28 24.899 -6.377 16.360 1.00 0.00 H new ATOM 420 N ALA A 29 26.588 -2.116 14.603 1.00 0.00 N ATOM 421 CA ALA A 29 27.328 -0.871 14.772 1.00 0.00 C ATOM 422 C ALA A 29 26.384 0.296 15.037 1.00 0.00 C ATOM 423 O ALA A 29 25.164 0.143 14.994 1.00 0.00 O ATOM 424 CB ALA A 29 28.181 -0.593 13.544 1.00 0.00 C ATOM 0 H ALA A 29 25.997 -2.147 13.772 1.00 0.00 H new ATOM 0 HA ALA A 29 27.982 -0.980 15.637 1.00 0.00 H new ATOM 0 HB1 ALA A 29 28.728 0.339 13.684 1.00 0.00 H new ATOM 0 HB2 ALA A 29 28.888 -1.410 13.400 1.00 0.00 H new ATOM 0 HB3 ALA A 29 27.539 -0.509 12.667 1.00 0.00 H new ATOM 430 N LYS A 30 26.958 1.463 15.311 1.00 0.00 N ATOM 431 CA LYS A 30 26.169 2.660 15.582 1.00 0.00 C ATOM 432 C LYS A 30 26.537 3.779 14.613 1.00 0.00 C ATOM 433 O LYS A 30 26.928 4.871 15.026 1.00 0.00 O ATOM 434 CB LYS A 30 26.382 3.122 17.024 1.00 0.00 C ATOM 435 CG LYS A 30 25.863 2.138 18.060 1.00 0.00 C ATOM 436 CD LYS A 30 26.119 2.631 19.476 1.00 0.00 C ATOM 437 CE LYS A 30 27.197 1.811 20.164 1.00 0.00 C ATOM 438 NZ LYS A 30 28.555 2.128 19.642 1.00 0.00 N ATOM 0 H LYS A 30 27.967 1.606 15.351 1.00 0.00 H new ATOM 0 HA LYS A 30 25.116 2.414 15.443 1.00 0.00 H new ATOM 0 HB2 LYS A 30 27.447 3.285 17.191 1.00 0.00 H new ATOM 0 HB3 LYS A 30 25.886 4.082 17.166 1.00 0.00 H new ATOM 0 HG2 LYS A 30 24.794 1.986 17.915 1.00 0.00 H new ATOM 0 HG3 LYS A 30 26.345 1.171 17.918 1.00 0.00 H new ATOM 0 HD2 LYS A 30 26.419 3.679 19.449 1.00 0.00 H new ATOM 0 HD3 LYS A 30 25.196 2.578 20.053 1.00 0.00 H new ATOM 0 HE2 LYS A 30 27.167 2.000 21.237 1.00 0.00 H new ATOM 0 HE3 LYS A 30 26.992 0.750 20.022 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 29.262 1.547 20.137 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 28.592 1.924 18.623 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 28.762 3.135 19.801 1.00 0.00 H new ATOM 452 N ALA A 31 26.414 3.497 13.320 1.00 0.00 N ATOM 453 CA ALA A 31 26.736 4.474 12.287 1.00 0.00 C ATOM 454 C ALA A 31 25.473 5.079 11.685 1.00 0.00 C ATOM 455 O ALA A 31 24.368 4.587 11.910 1.00 0.00 O ATOM 456 CB ALA A 31 27.581 3.827 11.201 1.00 0.00 C ATOM 0 H ALA A 31 26.093 2.597 12.962 1.00 0.00 H new ATOM 0 HA ALA A 31 27.306 5.280 12.749 1.00 0.00 H new ATOM 0 HB1 ALA A 31 27.816 4.565 10.434 1.00 0.00 H new ATOM 0 HB2 ALA A 31 28.506 3.449 11.636 1.00 0.00 H new ATOM 0 HB3 ALA A 31 27.028 3.002 10.753 1.00 0.00 H new ATOM 462 N ALA A 32 25.648 6.149 10.915 1.00 0.00 N ATOM 463 CA ALA A 32 24.526 6.822 10.273 1.00 0.00 C ATOM 464 C ALA A 32 24.437 6.444 8.798 1.00 0.00 C ATOM 465 O ALA A 32 23.390 6.600 8.169 1.00 0.00 O ATOM 466 CB ALA A 32 24.656 8.330 10.428 1.00 0.00 C ATOM 0 H ALA A 32 26.557 6.568 10.721 1.00 0.00 H new ATOM 0 HA ALA A 32 23.608 6.498 10.762 1.00 0.00 H new ATOM 0 HB1 ALA A 32 23.811 8.820 9.944 1.00 0.00 H new ATOM 0 HB2 ALA A 32 24.666 8.587 11.487 1.00 0.00 H new ATOM 0 HB3 ALA A 32 25.584 8.665 9.964 1.00 0.00 H new ATOM 472 N SER A 33 25.542 5.944 8.256 1.00 0.00 N ATOM 473 CA SER A 33 25.594 5.539 6.855 1.00 0.00 C ATOM 474 C SER A 33 26.083 4.100 6.728 1.00 0.00 C ATOM 475 O SER A 33 26.979 3.673 7.456 1.00 0.00 O ATOM 476 CB SER A 33 26.512 6.474 6.065 1.00 0.00 C ATOM 477 OG SER A 33 27.246 7.322 6.931 1.00 0.00 O ATOM 0 H SER A 33 26.415 5.809 8.766 1.00 0.00 H new ATOM 0 HA SER A 33 24.586 5.602 6.445 1.00 0.00 H new ATOM 0 HB2 SER A 33 27.200 5.885 5.458 1.00 0.00 H new ATOM 0 HB3 SER A 33 25.918 7.077 5.378 1.00 0.00 H new ATOM 0 HG SER A 33 27.826 7.908 6.401 1.00 0.00 H new ATOM 483 N SER A 34 25.485 3.356 5.802 1.00 0.00 N ATOM 484 CA SER A 34 25.857 1.964 5.583 1.00 0.00 C ATOM 485 C SER A 34 27.334 1.839 5.233 1.00 0.00 C ATOM 486 O SER A 34 27.958 0.814 5.505 1.00 0.00 O ATOM 487 CB SER A 34 25.012 1.356 4.467 1.00 0.00 C ATOM 488 OG SER A 34 23.731 1.957 4.407 1.00 0.00 O ATOM 0 H SER A 34 24.741 3.695 5.192 1.00 0.00 H new ATOM 0 HA SER A 34 25.673 1.421 6.510 1.00 0.00 H new ATOM 0 HB2 SER A 34 25.521 1.483 3.512 1.00 0.00 H new ATOM 0 HB3 SER A 34 24.906 0.284 4.631 1.00 0.00 H new ATOM 0 HG SER A 34 23.212 1.550 3.682 1.00 0.00 H new ATOM 494 N GLN A 35 27.885 2.885 4.627 1.00 0.00 N ATOM 495 CA GLN A 35 29.290 2.893 4.239 1.00 0.00 C ATOM 496 C GLN A 35 30.171 2.482 5.415 1.00 0.00 C ATOM 497 O GLN A 35 31.084 1.666 5.268 1.00 0.00 O ATOM 498 CB GLN A 35 29.685 4.283 3.730 1.00 0.00 C ATOM 499 CG GLN A 35 31.143 4.645 3.976 1.00 0.00 C ATOM 500 CD GLN A 35 31.319 5.603 5.137 1.00 0.00 C ATOM 501 OE1 GLN A 35 30.852 6.740 5.095 1.00 0.00 O ATOM 502 NE2 GLN A 35 31.997 5.145 6.184 1.00 0.00 N ATOM 0 H GLN A 35 27.379 3.739 4.394 1.00 0.00 H new ATOM 0 HA GLN A 35 29.437 2.172 3.435 1.00 0.00 H new ATOM 0 HB2 GLN A 35 29.484 4.337 2.660 1.00 0.00 H new ATOM 0 HB3 GLN A 35 29.051 5.028 4.211 1.00 0.00 H new ATOM 0 HG2 GLN A 35 31.711 3.735 4.171 1.00 0.00 H new ATOM 0 HG3 GLN A 35 31.559 5.093 3.074 1.00 0.00 H new ATOM 0 HE21 GLN A 35 32.367 4.194 6.176 1.00 0.00 H new ATOM 0 HE22 GLN A 35 32.148 5.744 6.996 1.00 0.00 H new ATOM 511 N ALA A 36 29.880 3.039 6.584 1.00 0.00 N ATOM 512 CA ALA A 36 30.632 2.721 7.789 1.00 0.00 C ATOM 513 C ALA A 36 30.362 1.286 8.219 1.00 0.00 C ATOM 514 O ALA A 36 31.255 0.589 8.701 1.00 0.00 O ATOM 515 CB ALA A 36 30.279 3.689 8.908 1.00 0.00 C ATOM 0 H ALA A 36 29.128 3.714 6.722 1.00 0.00 H new ATOM 0 HA ALA A 36 31.695 2.822 7.571 1.00 0.00 H new ATOM 0 HB1 ALA A 36 30.850 3.437 9.801 1.00 0.00 H new ATOM 0 HB2 ALA A 36 30.520 4.706 8.599 1.00 0.00 H new ATOM 0 HB3 ALA A 36 29.214 3.619 9.127 1.00 0.00 H new ATOM 521 N CYS A 37 29.120 0.849 8.031 1.00 0.00 N ATOM 522 CA CYS A 37 28.719 -0.504 8.385 1.00 0.00 C ATOM 523 C CYS A 37 29.378 -1.521 7.460 1.00 0.00 C ATOM 524 O CYS A 37 29.540 -2.687 7.817 1.00 0.00 O ATOM 525 CB CYS A 37 27.198 -0.634 8.311 1.00 0.00 C ATOM 526 SG CYS A 37 26.297 0.864 8.824 1.00 0.00 S ATOM 0 H CYS A 37 28.372 1.418 7.633 1.00 0.00 H new ATOM 0 HA CYS A 37 29.045 -0.706 9.405 1.00 0.00 H new ATOM 0 HB2 CYS A 37 26.915 -0.883 7.288 1.00 0.00 H new ATOM 0 HB3 CYS A 37 26.884 -1.467 8.940 1.00 0.00 H new ATOM 531 N GLN A 38 29.760 -1.065 6.272 1.00 0.00 N ATOM 532 CA GLN A 38 30.408 -1.929 5.293 1.00 0.00 C ATOM 533 C GLN A 38 31.865 -2.159 5.668 1.00 0.00 C ATOM 534 O GLN A 38 32.380 -3.271 5.553 1.00 0.00 O ATOM 535 CB GLN A 38 30.318 -1.311 3.897 1.00 0.00 C ATOM 536 CG GLN A 38 28.931 -1.396 3.282 1.00 0.00 C ATOM 537 CD GLN A 38 28.781 -2.575 2.340 1.00 0.00 C ATOM 538 OE1 GLN A 38 29.451 -2.650 1.310 1.00 0.00 O ATOM 539 NE2 GLN A 38 27.898 -3.504 2.690 1.00 0.00 N ATOM 0 H GLN A 38 29.632 -0.101 5.964 1.00 0.00 H new ATOM 0 HA GLN A 38 29.893 -2.889 5.287 1.00 0.00 H new ATOM 0 HB2 GLN A 38 30.618 -0.265 3.952 1.00 0.00 H new ATOM 0 HB3 GLN A 38 31.029 -1.813 3.240 1.00 0.00 H new ATOM 0 HG2 GLN A 38 28.189 -1.475 4.077 1.00 0.00 H new ATOM 0 HG3 GLN A 38 28.721 -0.474 2.740 1.00 0.00 H new ATOM 0 HE21 GLN A 38 27.364 -3.401 3.553 1.00 0.00 H new ATOM 0 HE22 GLN A 38 27.754 -4.320 2.096 1.00 0.00 H new ATOM 548 N GLU A 39 32.526 -1.096 6.120 1.00 0.00 N ATOM 549 CA GLU A 39 33.925 -1.180 6.517 1.00 0.00 C ATOM 550 C GLU A 39 34.094 -2.098 7.722 1.00 0.00 C ATOM 551 O GLU A 39 35.056 -2.861 7.801 1.00 0.00 O ATOM 552 CB GLU A 39 34.473 0.213 6.837 1.00 0.00 C ATOM 553 CG GLU A 39 35.252 0.839 5.692 1.00 0.00 C ATOM 554 CD GLU A 39 36.746 0.623 5.816 1.00 0.00 C ATOM 555 OE1 GLU A 39 37.158 -0.513 6.132 1.00 0.00 O ATOM 556 OE2 GLU A 39 37.506 1.590 5.595 1.00 0.00 O ATOM 0 H GLU A 39 32.114 -0.168 6.220 1.00 0.00 H new ATOM 0 HA GLU A 39 34.489 -1.599 5.683 1.00 0.00 H new ATOM 0 HB2 GLU A 39 33.643 0.868 7.102 1.00 0.00 H new ATOM 0 HB3 GLU A 39 35.120 0.148 7.712 1.00 0.00 H new ATOM 0 HG2 GLU A 39 34.905 0.418 4.748 1.00 0.00 H new ATOM 0 HG3 GLU A 39 35.045 1.909 5.659 1.00 0.00 H new ATOM 563 N LEU A 40 33.151 -2.024 8.655 1.00 0.00 N ATOM 564 CA LEU A 40 33.198 -2.859 9.848 1.00 0.00 C ATOM 565 C LEU A 40 32.826 -4.295 9.499 1.00 0.00 C ATOM 566 O LEU A 40 33.334 -5.246 10.095 1.00 0.00 O ATOM 567 CB LEU A 40 32.264 -2.303 10.929 1.00 0.00 C ATOM 568 CG LEU A 40 31.038 -3.163 11.254 1.00 0.00 C ATOM 569 CD1 LEU A 40 31.129 -3.707 12.671 1.00 0.00 C ATOM 570 CD2 LEU A 40 29.762 -2.360 11.069 1.00 0.00 C ATOM 0 H LEU A 40 32.348 -1.397 8.608 1.00 0.00 H new ATOM 0 HA LEU A 40 34.215 -2.852 10.241 1.00 0.00 H new ATOM 0 HB2 LEU A 40 32.840 -2.163 11.844 1.00 0.00 H new ATOM 0 HB3 LEU A 40 31.921 -1.317 10.615 1.00 0.00 H new ATOM 0 HG LEU A 40 31.015 -4.007 10.565 1.00 0.00 H new ATOM 0 HD11 LEU A 40 30.250 -4.315 12.884 1.00 0.00 H new ATOM 0 HD12 LEU A 40 32.026 -4.318 12.769 1.00 0.00 H new ATOM 0 HD13 LEU A 40 31.176 -2.878 13.377 1.00 0.00 H new ATOM 0 HD21 LEU A 40 28.901 -2.986 11.304 1.00 0.00 H new ATOM 0 HD22 LEU A 40 29.776 -1.497 11.734 1.00 0.00 H new ATOM 0 HD23 LEU A 40 29.692 -2.020 10.036 1.00 0.00 H new ATOM 582 N CYS A 41 31.940 -4.442 8.518 1.00 0.00 N ATOM 583 CA CYS A 41 31.500 -5.757 8.073 1.00 0.00 C ATOM 584 C CYS A 41 32.657 -6.513 7.429 1.00 0.00 C ATOM 585 O CYS A 41 32.740 -7.738 7.520 1.00 0.00 O ATOM 586 CB CYS A 41 30.347 -5.621 7.077 1.00 0.00 C ATOM 587 SG CYS A 41 29.007 -6.831 7.314 1.00 0.00 S ATOM 0 H CYS A 41 31.513 -3.663 8.016 1.00 0.00 H new ATOM 0 HA CYS A 41 31.153 -6.318 8.941 1.00 0.00 H new ATOM 0 HB2 CYS A 41 29.932 -4.616 7.155 1.00 0.00 H new ATOM 0 HB3 CYS A 41 30.741 -5.726 6.066 1.00 0.00 H new ATOM 592 N GLU A 42 33.552 -5.770 6.784 1.00 0.00 N ATOM 593 CA GLU A 42 34.709 -6.363 6.127 1.00 0.00 C ATOM 594 C GLU A 42 35.640 -6.997 7.155 1.00 0.00 C ATOM 595 O GLU A 42 36.207 -8.065 6.922 1.00 0.00 O ATOM 596 CB GLU A 42 35.450 -5.298 5.309 1.00 0.00 C ATOM 597 CG GLU A 42 36.955 -5.271 5.537 1.00 0.00 C ATOM 598 CD GLU A 42 37.687 -4.447 4.496 1.00 0.00 C ATOM 599 OE1 GLU A 42 37.492 -3.215 4.470 1.00 0.00 O ATOM 600 OE2 GLU A 42 38.457 -5.036 3.708 1.00 0.00 O ATOM 0 H GLU A 42 33.497 -4.755 6.703 1.00 0.00 H new ATOM 0 HA GLU A 42 34.367 -7.146 5.451 1.00 0.00 H new ATOM 0 HB2 GLU A 42 35.257 -5.470 4.250 1.00 0.00 H new ATOM 0 HB3 GLU A 42 35.039 -4.318 5.552 1.00 0.00 H new ATOM 0 HG2 GLU A 42 37.162 -4.865 6.527 1.00 0.00 H new ATOM 0 HG3 GLU A 42 37.339 -6.291 5.524 1.00 0.00 H new ATOM 607 N LYS A 43 35.789 -6.330 8.295 1.00 0.00 N ATOM 608 CA LYS A 43 36.647 -6.825 9.365 1.00 0.00 C ATOM 609 C LYS A 43 35.974 -7.975 10.106 1.00 0.00 C ATOM 610 O LYS A 43 36.638 -8.776 10.765 1.00 0.00 O ATOM 611 CB LYS A 43 36.982 -5.698 10.343 1.00 0.00 C ATOM 612 CG LYS A 43 37.599 -4.478 9.677 1.00 0.00 C ATOM 613 CD LYS A 43 39.113 -4.470 9.822 1.00 0.00 C ATOM 614 CE LYS A 43 39.615 -3.139 10.357 1.00 0.00 C ATOM 615 NZ LYS A 43 40.948 -2.782 9.797 1.00 0.00 N ATOM 0 H LYS A 43 35.326 -5.445 8.501 1.00 0.00 H new ATOM 0 HA LYS A 43 37.571 -7.192 8.919 1.00 0.00 H new ATOM 0 HB2 LYS A 43 36.072 -5.397 10.863 1.00 0.00 H new ATOM 0 HB3 LYS A 43 37.671 -6.076 11.099 1.00 0.00 H new ATOM 0 HG2 LYS A 43 37.334 -4.466 8.620 1.00 0.00 H new ATOM 0 HG3 LYS A 43 37.185 -3.572 10.120 1.00 0.00 H new ATOM 0 HD2 LYS A 43 39.419 -5.272 10.494 1.00 0.00 H new ATOM 0 HD3 LYS A 43 39.573 -4.671 8.855 1.00 0.00 H new ATOM 0 HE2 LYS A 43 38.897 -2.356 10.113 1.00 0.00 H new ATOM 0 HE3 LYS A 43 39.679 -3.186 11.444 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 41.255 -1.868 10.187 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 41.639 -3.516 10.051 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 40.882 -2.712 8.761 1.00 0.00 H new ATOM 629 N ASP A 44 34.652 -8.049 9.993 1.00 0.00 N ATOM 630 CA ASP A 44 33.886 -9.101 10.653 1.00 0.00 C ATOM 631 C ASP A 44 33.701 -10.299 9.726 1.00 0.00 C ATOM 632 O ASP A 44 32.924 -10.244 8.773 1.00 0.00 O ATOM 633 CB ASP A 44 32.522 -8.567 11.095 1.00 0.00 C ATOM 634 CG ASP A 44 32.113 -9.088 12.459 1.00 0.00 C ATOM 635 OD1 ASP A 44 31.786 -10.289 12.562 1.00 0.00 O ATOM 636 OD2 ASP A 44 32.119 -8.294 13.424 1.00 0.00 O ATOM 0 H ASP A 44 34.089 -7.394 9.451 1.00 0.00 H new ATOM 0 HA ASP A 44 34.442 -9.426 11.532 1.00 0.00 H new ATOM 0 HB2 ASP A 44 32.551 -7.478 11.119 1.00 0.00 H new ATOM 0 HB3 ASP A 44 31.768 -8.850 10.360 1.00 0.00 H new ATOM 641 N ALA A 45 34.418 -11.381 10.014 1.00 0.00 N ATOM 642 CA ALA A 45 34.332 -12.592 9.208 1.00 0.00 C ATOM 643 C ALA A 45 32.974 -13.265 9.371 1.00 0.00 C ATOM 644 O ALA A 45 32.538 -14.026 8.506 1.00 0.00 O ATOM 645 CB ALA A 45 35.449 -13.555 9.582 1.00 0.00 C ATOM 0 H ALA A 45 35.065 -11.443 10.800 1.00 0.00 H new ATOM 0 HA ALA A 45 34.445 -12.311 8.161 1.00 0.00 H new ATOM 0 HB1 ALA A 45 35.373 -14.455 8.972 1.00 0.00 H new ATOM 0 HB2 ALA A 45 36.414 -13.079 9.407 1.00 0.00 H new ATOM 0 HB3 ALA A 45 35.362 -13.822 10.635 1.00 0.00 H new ATOM 651 N LYS A 46 32.308 -12.978 10.485 1.00 0.00 N ATOM 652 CA LYS A 46 30.998 -13.554 10.764 1.00 0.00 C ATOM 653 C LYS A 46 29.891 -12.714 10.135 1.00 0.00 C ATOM 654 O LYS A 46 28.707 -12.951 10.374 1.00 0.00 O ATOM 655 CB LYS A 46 30.777 -13.665 12.273 1.00 0.00 C ATOM 656 CG LYS A 46 31.571 -14.786 12.923 1.00 0.00 C ATOM 657 CD LYS A 46 30.658 -15.789 13.610 1.00 0.00 C ATOM 658 CE LYS A 46 30.755 -15.688 15.124 1.00 0.00 C ATOM 659 NZ LYS A 46 31.575 -16.787 15.703 1.00 0.00 N ATOM 0 H LYS A 46 32.655 -12.349 11.210 1.00 0.00 H new ATOM 0 HA LYS A 46 30.966 -14.552 10.326 1.00 0.00 H new ATOM 0 HB2 LYS A 46 31.049 -12.719 12.742 1.00 0.00 H new ATOM 0 HB3 LYS A 46 29.716 -13.823 12.466 1.00 0.00 H new ATOM 0 HG2 LYS A 46 32.169 -15.295 12.167 1.00 0.00 H new ATOM 0 HG3 LYS A 46 32.266 -14.367 13.651 1.00 0.00 H new ATOM 0 HD2 LYS A 46 29.628 -15.617 13.298 1.00 0.00 H new ATOM 0 HD3 LYS A 46 30.922 -16.798 13.294 1.00 0.00 H new ATOM 0 HE2 LYS A 46 31.192 -14.727 15.396 1.00 0.00 H new ATOM 0 HE3 LYS A 46 29.754 -15.717 15.554 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 31.616 -16.682 16.737 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 31.145 -17.703 15.465 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 32.538 -16.745 15.312 1.00 0.00 H new ATOM 673 N CYS A 47 30.285 -11.733 9.331 1.00 0.00 N ATOM 674 CA CYS A 47 29.327 -10.856 8.666 1.00 0.00 C ATOM 675 C CYS A 47 29.081 -11.308 7.230 1.00 0.00 C ATOM 676 O CYS A 47 29.945 -11.926 6.606 1.00 0.00 O ATOM 677 CB CYS A 47 29.831 -9.410 8.685 1.00 0.00 C ATOM 678 SG CYS A 47 29.919 -8.624 7.042 1.00 0.00 S ATOM 0 H CYS A 47 31.262 -11.524 9.123 1.00 0.00 H new ATOM 0 HA CYS A 47 28.383 -10.910 9.208 1.00 0.00 H new ATOM 0 HB2 CYS A 47 29.176 -8.818 9.324 1.00 0.00 H new ATOM 0 HB3 CYS A 47 30.822 -9.389 9.138 1.00 0.00 H new ATOM 683 N ARG A 48 27.899 -10.992 6.711 1.00 0.00 N ATOM 684 CA ARG A 48 27.536 -11.361 5.347 1.00 0.00 C ATOM 685 C ARG A 48 26.384 -10.500 4.842 1.00 0.00 C ATOM 686 O ARG A 48 26.477 -9.878 3.783 1.00 0.00 O ATOM 687 CB ARG A 48 27.150 -12.840 5.282 1.00 0.00 C ATOM 688 CG ARG A 48 28.009 -13.652 4.326 1.00 0.00 C ATOM 689 CD ARG A 48 27.549 -15.100 4.256 1.00 0.00 C ATOM 690 NE ARG A 48 28.674 -16.029 4.185 1.00 0.00 N ATOM 691 CZ ARG A 48 29.180 -16.489 3.044 1.00 0.00 C ATOM 692 NH1 ARG A 48 28.665 -16.106 1.884 1.00 0.00 N ATOM 693 NH2 ARG A 48 30.203 -17.332 3.064 1.00 0.00 N ATOM 0 H ARG A 48 27.175 -10.480 7.215 1.00 0.00 H new ATOM 0 HA ARG A 48 28.402 -11.191 4.707 1.00 0.00 H new ATOM 0 HB2 ARG A 48 27.226 -13.271 6.280 1.00 0.00 H new ATOM 0 HB3 ARG A 48 26.106 -12.921 4.978 1.00 0.00 H new ATOM 0 HG2 ARG A 48 27.968 -13.208 3.332 1.00 0.00 H new ATOM 0 HG3 ARG A 48 29.049 -13.615 4.649 1.00 0.00 H new ATOM 0 HD2 ARG A 48 26.943 -15.331 5.132 1.00 0.00 H new ATOM 0 HD3 ARG A 48 26.911 -15.236 3.383 1.00 0.00 H new ATOM 0 HE ARG A 48 29.095 -16.343 5.059 1.00 0.00 H new ATOM 0 HH11 ARG A 48 27.879 -15.457 1.865 1.00 0.00 H new ATOM 0 HH12 ARG A 48 29.055 -16.461 1.011 1.00 0.00 H new ATOM 0 HH21 ARG A 48 30.602 -17.628 3.955 1.00 0.00 H new ATOM 0 HH22 ARG A 48 30.591 -17.684 2.189 1.00 0.00 H new ATOM 707 N PHE A 49 25.298 -10.468 5.608 1.00 0.00 N ATOM 708 CA PHE A 49 24.124 -9.683 5.245 1.00 0.00 C ATOM 709 C PHE A 49 23.909 -8.545 6.236 1.00 0.00 C ATOM 710 O PHE A 49 23.191 -8.697 7.225 1.00 0.00 O ATOM 711 CB PHE A 49 22.882 -10.577 5.196 1.00 0.00 C ATOM 712 CG PHE A 49 23.152 -11.958 4.669 1.00 0.00 C ATOM 713 CD1 PHE A 49 23.636 -12.141 3.383 1.00 0.00 C ATOM 714 CD2 PHE A 49 22.923 -13.072 5.460 1.00 0.00 C ATOM 715 CE1 PHE A 49 23.885 -13.410 2.896 1.00 0.00 C ATOM 716 CE2 PHE A 49 23.170 -14.343 4.978 1.00 0.00 C ATOM 717 CZ PHE A 49 23.652 -14.513 3.694 1.00 0.00 C ATOM 0 H PHE A 49 25.207 -10.978 6.486 1.00 0.00 H new ATOM 0 HA PHE A 49 24.292 -9.255 4.257 1.00 0.00 H new ATOM 0 HB2 PHE A 49 22.462 -10.656 6.199 1.00 0.00 H new ATOM 0 HB3 PHE A 49 22.127 -10.101 4.571 1.00 0.00 H new ATOM 0 HD1 PHE A 49 23.821 -11.282 2.755 1.00 0.00 H new ATOM 0 HD2 PHE A 49 22.547 -12.946 6.465 1.00 0.00 H new ATOM 0 HE1 PHE A 49 24.262 -13.539 1.892 1.00 0.00 H new ATOM 0 HE2 PHE A 49 22.986 -15.203 5.604 1.00 0.00 H new ATOM 0 HZ PHE A 49 23.846 -15.506 3.316 1.00 0.00 H new ATOM 727 N PHE A 50 24.539 -7.405 5.968 1.00 0.00 N ATOM 728 CA PHE A 50 24.418 -6.242 6.841 1.00 0.00 C ATOM 729 C PHE A 50 23.010 -5.655 6.783 1.00 0.00 C ATOM 730 O PHE A 50 22.243 -5.943 5.863 1.00 0.00 O ATOM 731 CB PHE A 50 25.454 -5.180 6.459 1.00 0.00 C ATOM 732 CG PHE A 50 25.036 -4.311 5.307 1.00 0.00 C ATOM 733 CD1 PHE A 50 25.085 -4.790 4.008 1.00 0.00 C ATOM 734 CD2 PHE A 50 24.596 -3.016 5.525 1.00 0.00 C ATOM 735 CE1 PHE A 50 24.702 -3.992 2.946 1.00 0.00 C ATOM 736 CE2 PHE A 50 24.211 -2.214 4.468 1.00 0.00 C ATOM 737 CZ PHE A 50 24.264 -2.702 3.177 1.00 0.00 C ATOM 0 H PHE A 50 25.138 -7.262 5.155 1.00 0.00 H new ATOM 0 HA PHE A 50 24.607 -6.566 7.864 1.00 0.00 H new ATOM 0 HB2 PHE A 50 25.650 -4.549 7.326 1.00 0.00 H new ATOM 0 HB3 PHE A 50 26.392 -5.675 6.207 1.00 0.00 H new ATOM 0 HD1 PHE A 50 25.426 -5.798 3.823 1.00 0.00 H new ATOM 0 HD2 PHE A 50 24.553 -2.629 6.532 1.00 0.00 H new ATOM 0 HE1 PHE A 50 24.745 -4.376 1.938 1.00 0.00 H new ATOM 0 HE2 PHE A 50 23.869 -1.206 4.651 1.00 0.00 H new ATOM 0 HZ PHE A 50 23.964 -2.076 2.349 1.00 0.00 H new ATOM 747 N THR A 51 22.681 -4.833 7.774 1.00 0.00 N ATOM 748 CA THR A 51 21.368 -4.203 7.848 1.00 0.00 C ATOM 749 C THR A 51 21.417 -2.943 8.708 1.00 0.00 C ATOM 750 O THR A 51 21.270 -3.005 9.928 1.00 0.00 O ATOM 751 CB THR A 51 20.312 -5.176 8.416 1.00 0.00 C ATOM 752 OG1 THR A 51 20.141 -6.281 7.523 1.00 0.00 O ATOM 753 CG2 THR A 51 18.977 -4.476 8.622 1.00 0.00 C ATOM 0 H THR A 51 23.308 -4.587 8.540 1.00 0.00 H new ATOM 0 HA THR A 51 21.081 -3.930 6.832 1.00 0.00 H new ATOM 0 HB THR A 51 20.665 -5.535 9.383 1.00 0.00 H new ATOM 0 HG1 THR A 51 19.194 -6.529 7.487 1.00 0.00 H new ATOM 0 HG21 THR A 51 18.252 -5.185 9.023 1.00 0.00 H new ATOM 0 HG22 THR A 51 19.103 -3.651 9.323 1.00 0.00 H new ATOM 0 HG23 THR A 51 18.618 -4.090 7.668 1.00 0.00 H new ATOM 761 N LEU A 52 21.629 -1.800 8.062 1.00 0.00 N ATOM 762 CA LEU A 52 21.701 -0.524 8.765 1.00 0.00 C ATOM 763 C LEU A 52 20.309 0.077 8.939 1.00 0.00 C ATOM 764 O LEU A 52 19.408 -0.174 8.138 1.00 0.00 O ATOM 765 CB LEU A 52 22.605 0.452 8.004 1.00 0.00 C ATOM 766 CG LEU A 52 22.425 1.928 8.370 1.00 0.00 C ATOM 767 CD1 LEU A 52 23.314 2.299 9.546 1.00 0.00 C ATOM 768 CD2 LEU A 52 22.723 2.815 7.171 1.00 0.00 C ATOM 0 H LEU A 52 21.754 -1.732 7.052 1.00 0.00 H new ATOM 0 HA LEU A 52 22.126 -0.702 9.753 1.00 0.00 H new ATOM 0 HB2 LEU A 52 23.644 0.174 8.182 1.00 0.00 H new ATOM 0 HB3 LEU A 52 22.422 0.334 6.936 1.00 0.00 H new ATOM 0 HG LEU A 52 21.387 2.086 8.663 1.00 0.00 H new ATOM 0 HD11 LEU A 52 23.172 3.352 9.791 1.00 0.00 H new ATOM 0 HD12 LEU A 52 23.051 1.687 10.408 1.00 0.00 H new ATOM 0 HD13 LEU A 52 24.357 2.125 9.282 1.00 0.00 H new ATOM 0 HD21 LEU A 52 22.590 3.860 7.450 1.00 0.00 H new ATOM 0 HD22 LEU A 52 23.751 2.654 6.846 1.00 0.00 H new ATOM 0 HD23 LEU A 52 22.042 2.567 6.357 1.00 0.00 H new ATOM 780 N ALA A 53 20.142 0.873 9.989 1.00 0.00 N ATOM 781 CA ALA A 53 18.864 1.514 10.270 1.00 0.00 C ATOM 782 C ALA A 53 19.020 3.029 10.336 1.00 0.00 C ATOM 783 O ALA A 53 19.984 3.587 9.811 1.00 0.00 O ATOM 784 CB ALA A 53 18.280 0.980 11.568 1.00 0.00 C ATOM 0 H ALA A 53 20.878 1.090 10.661 1.00 0.00 H new ATOM 0 HA ALA A 53 18.177 1.280 9.457 1.00 0.00 H new ATOM 0 HB1 ALA A 53 17.325 1.468 11.765 1.00 0.00 H new ATOM 0 HB2 ALA A 53 18.127 -0.096 11.483 1.00 0.00 H new ATOM 0 HB3 ALA A 53 18.968 1.185 12.388 1.00 0.00 H new ATOM 790 N SER A 54 18.063 3.687 10.982 1.00 0.00 N ATOM 791 CA SER A 54 18.089 5.140 11.120 1.00 0.00 C ATOM 792 C SER A 54 19.413 5.611 11.714 1.00 0.00 C ATOM 793 O SER A 54 19.805 6.767 11.542 1.00 0.00 O ATOM 794 CB SER A 54 16.928 5.611 11.998 1.00 0.00 C ATOM 795 OG SER A 54 17.077 6.972 12.357 1.00 0.00 O ATOM 0 H SER A 54 17.259 3.237 11.419 1.00 0.00 H new ATOM 0 HA SER A 54 17.985 5.574 10.125 1.00 0.00 H new ATOM 0 HB2 SER A 54 15.987 5.474 11.465 1.00 0.00 H new ATOM 0 HB3 SER A 54 16.877 4.998 12.898 1.00 0.00 H new ATOM 0 HG SER A 54 16.321 7.247 12.916 1.00 0.00 H new ATOM 801 N GLY A 55 20.098 4.711 12.411 1.00 0.00 N ATOM 802 CA GLY A 55 21.371 5.052 13.019 1.00 0.00 C ATOM 803 C GLY A 55 21.993 3.885 13.760 1.00 0.00 C ATOM 804 O GLY A 55 22.548 4.056 14.846 1.00 0.00 O ATOM 0 H GLY A 55 19.794 3.750 12.566 1.00 0.00 H new ATOM 0 HA2 GLY A 55 22.059 5.395 12.246 1.00 0.00 H new ATOM 0 HA3 GLY A 55 21.229 5.883 13.710 1.00 0.00 H new ATOM 808 N LYS A 56 21.900 2.698 13.171 1.00 0.00 N ATOM 809 CA LYS A 56 22.458 1.497 13.784 1.00 0.00 C ATOM 810 C LYS A 56 22.620 0.381 12.754 1.00 0.00 C ATOM 811 O LYS A 56 21.642 -0.082 12.168 1.00 0.00 O ATOM 812 CB LYS A 56 21.562 1.022 14.929 1.00 0.00 C ATOM 813 CG LYS A 56 22.314 0.285 16.024 1.00 0.00 C ATOM 814 CD LYS A 56 21.490 0.187 17.297 1.00 0.00 C ATOM 815 CE LYS A 56 22.227 -0.582 18.381 1.00 0.00 C ATOM 816 NZ LYS A 56 21.289 -1.280 19.303 1.00 0.00 N ATOM 0 H LYS A 56 21.445 2.541 12.272 1.00 0.00 H new ATOM 0 HA LYS A 56 23.443 1.746 14.179 1.00 0.00 H new ATOM 0 HB2 LYS A 56 21.055 1.883 15.364 1.00 0.00 H new ATOM 0 HB3 LYS A 56 20.789 0.367 14.527 1.00 0.00 H new ATOM 0 HG2 LYS A 56 22.573 -0.716 15.679 1.00 0.00 H new ATOM 0 HG3 LYS A 56 23.251 0.801 16.234 1.00 0.00 H new ATOM 0 HD2 LYS A 56 21.254 1.189 17.657 1.00 0.00 H new ATOM 0 HD3 LYS A 56 20.542 -0.306 17.081 1.00 0.00 H new ATOM 0 HE2 LYS A 56 22.893 -1.312 17.920 1.00 0.00 H new ATOM 0 HE3 LYS A 56 22.853 0.104 18.951 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 21.831 -1.793 20.027 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 20.670 -0.582 19.763 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 20.709 -1.954 18.763 1.00 0.00 H new ATOM 830 N CYS A 57 23.861 -0.048 12.545 1.00 0.00 N ATOM 831 CA CYS A 57 24.152 -1.113 11.592 1.00 0.00 C ATOM 832 C CYS A 57 23.912 -2.482 12.219 1.00 0.00 C ATOM 833 O CYS A 57 24.017 -2.644 13.434 1.00 0.00 O ATOM 834 CB CYS A 57 25.600 -1.012 11.105 1.00 0.00 C ATOM 835 SG CYS A 57 26.181 0.695 10.843 1.00 0.00 S ATOM 0 H CYS A 57 24.681 0.326 13.023 1.00 0.00 H new ATOM 0 HA CYS A 57 23.481 -0.997 10.741 1.00 0.00 H new ATOM 0 HB2 CYS A 57 26.251 -1.498 11.832 1.00 0.00 H new ATOM 0 HB3 CYS A 57 25.697 -1.565 10.170 1.00 0.00 H new ATOM 840 N SER A 58 23.586 -3.465 11.385 1.00 0.00 N ATOM 841 CA SER A 58 23.328 -4.818 11.860 1.00 0.00 C ATOM 842 C SER A 58 23.815 -5.854 10.852 1.00 0.00 C ATOM 843 O SER A 58 23.122 -6.161 9.886 1.00 0.00 O ATOM 844 CB SER A 58 21.835 -5.009 12.112 1.00 0.00 C ATOM 845 OG SER A 58 21.546 -5.028 13.500 1.00 0.00 O ATOM 0 H SER A 58 23.494 -3.348 10.376 1.00 0.00 H new ATOM 0 HA SER A 58 23.875 -4.959 12.792 1.00 0.00 H new ATOM 0 HB2 SER A 58 21.277 -4.204 11.633 1.00 0.00 H new ATOM 0 HB3 SER A 58 21.503 -5.942 11.656 1.00 0.00 H new ATOM 0 HG SER A 58 20.583 -5.150 13.632 1.00 0.00 H new ATOM 851 N LEU A 59 25.006 -6.396 11.085 1.00 0.00 N ATOM 852 CA LEU A 59 25.566 -7.402 10.191 1.00 0.00 C ATOM 853 C LEU A 59 25.220 -8.802 10.683 1.00 0.00 C ATOM 854 O LEU A 59 25.554 -9.175 11.807 1.00 0.00 O ATOM 855 CB LEU A 59 27.087 -7.243 10.065 1.00 0.00 C ATOM 856 CG LEU A 59 27.771 -6.485 11.206 1.00 0.00 C ATOM 857 CD1 LEU A 59 29.245 -6.856 11.279 1.00 0.00 C ATOM 858 CD2 LEU A 59 27.608 -4.984 11.026 1.00 0.00 C ATOM 0 H LEU A 59 25.598 -6.157 11.880 1.00 0.00 H new ATOM 0 HA LEU A 59 25.127 -7.257 9.204 1.00 0.00 H new ATOM 0 HB2 LEU A 59 27.533 -8.235 9.993 1.00 0.00 H new ATOM 0 HB3 LEU A 59 27.304 -6.728 9.129 1.00 0.00 H new ATOM 0 HG LEU A 59 27.294 -6.770 12.144 1.00 0.00 H new ATOM 0 HD11 LEU A 59 29.718 -6.309 12.095 1.00 0.00 H new ATOM 0 HD12 LEU A 59 29.342 -7.927 11.456 1.00 0.00 H new ATOM 0 HD13 LEU A 59 29.732 -6.598 10.339 1.00 0.00 H new ATOM 0 HD21 LEU A 59 28.101 -4.463 11.847 1.00 0.00 H new ATOM 0 HD22 LEU A 59 28.058 -4.680 10.081 1.00 0.00 H new ATOM 0 HD23 LEU A 59 26.548 -4.731 11.021 1.00 0.00 H new ATOM 870 N PHE A 60 24.536 -9.565 9.837 1.00 0.00 N ATOM 871 CA PHE A 60 24.127 -10.921 10.187 1.00 0.00 C ATOM 872 C PHE A 60 24.958 -11.955 9.436 1.00 0.00 C ATOM 873 O PHE A 60 25.403 -11.714 8.314 1.00 0.00 O ATOM 874 CB PHE A 60 22.640 -11.116 9.877 1.00 0.00 C ATOM 875 CG PHE A 60 21.755 -10.083 10.516 1.00 0.00 C ATOM 876 CD1 PHE A 60 21.620 -8.823 9.954 1.00 0.00 C ATOM 877 CD2 PHE A 60 21.062 -10.368 11.682 1.00 0.00 C ATOM 878 CE1 PHE A 60 20.813 -7.871 10.540 1.00 0.00 C ATOM 879 CE2 PHE A 60 20.254 -9.417 12.273 1.00 0.00 C ATOM 880 CZ PHE A 60 20.129 -8.166 11.701 1.00 0.00 C ATOM 0 H PHE A 60 24.253 -9.267 8.903 1.00 0.00 H new ATOM 0 HA PHE A 60 24.293 -11.062 11.255 1.00 0.00 H new ATOM 0 HB2 PHE A 60 22.495 -11.089 8.797 1.00 0.00 H new ATOM 0 HB3 PHE A 60 22.333 -12.106 10.215 1.00 0.00 H new ATOM 0 HD1 PHE A 60 22.154 -8.584 9.046 1.00 0.00 H new ATOM 0 HD2 PHE A 60 21.155 -11.345 12.133 1.00 0.00 H new ATOM 0 HE1 PHE A 60 20.716 -6.894 10.090 1.00 0.00 H new ATOM 0 HE2 PHE A 60 19.720 -9.651 13.182 1.00 0.00 H new ATOM 0 HZ PHE A 60 19.497 -7.421 12.162 1.00 0.00 H new ATOM 890 N ALA A 61 25.161 -13.110 10.064 1.00 0.00 N ATOM 891 CA ALA A 61 25.937 -14.185 9.458 1.00 0.00 C ATOM 892 C ALA A 61 25.091 -14.989 8.481 1.00 0.00 C ATOM 893 O ALA A 61 25.218 -14.844 7.265 1.00 0.00 O ATOM 894 CB ALA A 61 26.510 -15.093 10.535 1.00 0.00 C ATOM 0 H ALA A 61 24.798 -13.324 10.993 1.00 0.00 H new ATOM 0 HA ALA A 61 26.759 -13.737 8.901 1.00 0.00 H new ATOM 0 HB1 ALA A 61 27.087 -15.891 10.069 1.00 0.00 H new ATOM 0 HB2 ALA A 61 27.158 -14.513 11.193 1.00 0.00 H new ATOM 0 HB3 ALA A 61 25.696 -15.526 11.117 1.00 0.00 H new ATOM 900 N ASP A 62 24.226 -15.838 9.022 1.00 0.00 N ATOM 901 CA ASP A 62 23.352 -16.669 8.204 1.00 0.00 C ATOM 902 C ASP A 62 21.886 -16.323 8.447 1.00 0.00 C ATOM 903 O ASP A 62 21.567 -15.517 9.321 1.00 0.00 O ATOM 904 CB ASP A 62 23.593 -18.150 8.505 1.00 0.00 C ATOM 905 CG ASP A 62 23.552 -19.009 7.255 1.00 0.00 C ATOM 906 OD1 ASP A 62 24.547 -19.008 6.501 1.00 0.00 O ATOM 907 OD2 ASP A 62 22.523 -19.681 7.030 1.00 0.00 O ATOM 0 H ASP A 62 24.111 -15.969 10.027 1.00 0.00 H new ATOM 0 HA ASP A 62 23.584 -16.474 7.157 1.00 0.00 H new ATOM 0 HB2 ASP A 62 24.562 -18.266 8.991 1.00 0.00 H new ATOM 0 HB3 ASP A 62 22.839 -18.502 9.209 1.00 0.00 H new ATOM 912 N ASP A 63 21.001 -16.936 7.668 1.00 0.00 N ATOM 913 CA ASP A 63 19.569 -16.691 7.800 1.00 0.00 C ATOM 914 C ASP A 63 18.976 -17.527 8.930 1.00 0.00 C ATOM 915 O ASP A 63 18.473 -18.628 8.705 1.00 0.00 O ATOM 916 CB ASP A 63 18.854 -17.008 6.485 1.00 0.00 C ATOM 917 CG ASP A 63 17.506 -16.322 6.381 1.00 0.00 C ATOM 918 OD1 ASP A 63 17.479 -15.079 6.269 1.00 0.00 O ATOM 919 OD2 ASP A 63 16.476 -17.030 6.410 1.00 0.00 O ATOM 0 H ASP A 63 21.249 -17.605 6.939 1.00 0.00 H new ATOM 0 HA ASP A 63 19.426 -15.637 8.039 1.00 0.00 H new ATOM 0 HB2 ASP A 63 19.482 -16.699 5.649 1.00 0.00 H new ATOM 0 HB3 ASP A 63 18.718 -18.086 6.399 1.00 0.00 H new ATOM 924 N ALA A 64 19.038 -16.994 10.147 1.00 0.00 N ATOM 925 CA ALA A 64 18.507 -17.688 11.314 1.00 0.00 C ATOM 926 C ALA A 64 17.000 -17.496 11.426 1.00 0.00 C ATOM 927 O ALA A 64 16.224 -18.419 11.176 1.00 0.00 O ATOM 928 CB ALA A 64 19.199 -17.201 12.578 1.00 0.00 C ATOM 0 H ALA A 64 19.451 -16.084 10.350 1.00 0.00 H new ATOM 0 HA ALA A 64 18.704 -18.753 11.194 1.00 0.00 H new ATOM 0 HB1 ALA A 64 18.792 -17.728 13.441 1.00 0.00 H new ATOM 0 HB2 ALA A 64 20.269 -17.396 12.505 1.00 0.00 H new ATOM 0 HB3 ALA A 64 19.032 -16.130 12.695 1.00 0.00 H new ATOM 934 N ALA A 65 16.594 -16.290 11.804 1.00 0.00 N ATOM 935 CA ALA A 65 15.179 -15.968 11.951 1.00 0.00 C ATOM 936 C ALA A 65 14.920 -14.494 11.659 1.00 0.00 C ATOM 937 O ALA A 65 13.859 -13.963 11.990 1.00 0.00 O ATOM 938 CB ALA A 65 14.701 -16.323 13.351 1.00 0.00 C ATOM 0 H ALA A 65 17.226 -15.517 12.015 1.00 0.00 H new ATOM 0 HA ALA A 65 14.618 -16.559 11.227 1.00 0.00 H new ATOM 0 HB1 ALA A 65 13.643 -16.078 13.447 1.00 0.00 H new ATOM 0 HB2 ALA A 65 14.843 -17.390 13.525 1.00 0.00 H new ATOM 0 HB3 ALA A 65 15.273 -15.756 14.085 1.00 0.00 H new ATOM 944 N LEU A 66 15.894 -13.840 11.037 1.00 0.00 N ATOM 945 CA LEU A 66 15.773 -12.426 10.698 1.00 0.00 C ATOM 946 C LEU A 66 14.790 -12.224 9.550 1.00 0.00 C ATOM 947 O LEU A 66 14.717 -13.041 8.632 1.00 0.00 O ATOM 948 CB LEU A 66 17.141 -11.851 10.324 1.00 0.00 C ATOM 949 CG LEU A 66 17.869 -12.595 9.203 1.00 0.00 C ATOM 950 CD1 LEU A 66 17.959 -11.726 7.958 1.00 0.00 C ATOM 951 CD2 LEU A 66 19.256 -13.020 9.661 1.00 0.00 C ATOM 0 H LEU A 66 16.777 -14.266 10.757 1.00 0.00 H new ATOM 0 HA LEU A 66 15.393 -11.899 11.573 1.00 0.00 H new ATOM 0 HB2 LEU A 66 17.012 -10.811 10.025 1.00 0.00 H new ATOM 0 HB3 LEU A 66 17.774 -11.852 11.211 1.00 0.00 H new ATOM 0 HG LEU A 66 17.299 -13.491 8.955 1.00 0.00 H new ATOM 0 HD11 LEU A 66 18.480 -12.271 7.171 1.00 0.00 H new ATOM 0 HD12 LEU A 66 16.955 -11.470 7.619 1.00 0.00 H new ATOM 0 HD13 LEU A 66 18.507 -10.813 8.191 1.00 0.00 H new ATOM 0 HD21 LEU A 66 19.760 -13.548 8.852 1.00 0.00 H new ATOM 0 HD22 LEU A 66 19.835 -12.138 9.935 1.00 0.00 H new ATOM 0 HD23 LEU A 66 19.168 -13.679 10.525 1.00 0.00 H new ATOM 963 N ARG A 67 14.036 -11.130 9.608 1.00 0.00 N ATOM 964 CA ARG A 67 13.057 -10.819 8.574 1.00 0.00 C ATOM 965 C ARG A 67 12.693 -9.335 8.595 1.00 0.00 C ATOM 966 O ARG A 67 12.974 -8.632 9.564 1.00 0.00 O ATOM 967 CB ARG A 67 11.797 -11.666 8.765 1.00 0.00 C ATOM 968 CG ARG A 67 11.728 -12.873 7.845 1.00 0.00 C ATOM 969 CD ARG A 67 10.292 -13.312 7.606 1.00 0.00 C ATOM 970 NE ARG A 67 9.685 -13.877 8.807 1.00 0.00 N ATOM 971 CZ ARG A 67 8.445 -13.605 9.205 1.00 0.00 C ATOM 972 NH1 ARG A 67 7.684 -12.780 8.499 1.00 0.00 N ATOM 973 NH2 ARG A 67 7.966 -14.161 10.309 1.00 0.00 N ATOM 0 H ARG A 67 14.085 -10.444 10.361 1.00 0.00 H new ATOM 0 HA ARG A 67 13.502 -11.052 7.607 1.00 0.00 H new ATOM 0 HB2 ARG A 67 11.752 -12.006 9.800 1.00 0.00 H new ATOM 0 HB3 ARG A 67 10.920 -11.041 8.596 1.00 0.00 H new ATOM 0 HG2 ARG A 67 12.199 -12.632 6.892 1.00 0.00 H new ATOM 0 HG3 ARG A 67 12.293 -13.697 8.281 1.00 0.00 H new ATOM 0 HD2 ARG A 67 9.703 -12.458 7.270 1.00 0.00 H new ATOM 0 HD3 ARG A 67 10.268 -14.051 6.805 1.00 0.00 H new ATOM 0 HE ARG A 67 10.243 -14.516 9.373 1.00 0.00 H new ATOM 0 HH11 ARG A 67 8.049 -12.352 7.648 1.00 0.00 H new ATOM 0 HH12 ARG A 67 6.734 -12.574 8.807 1.00 0.00 H new ATOM 0 HH21 ARG A 67 8.548 -14.797 10.853 1.00 0.00 H new ATOM 0 HH22 ARG A 67 7.015 -13.952 10.614 1.00 0.00 H new ATOM 987 N PRO A 68 12.054 -8.839 7.519 1.00 0.00 N ATOM 988 CA PRO A 68 11.649 -7.432 7.417 1.00 0.00 C ATOM 989 C PRO A 68 10.520 -7.085 8.382 1.00 0.00 C ATOM 990 O PRO A 68 10.074 -7.928 9.161 1.00 0.00 O ATOM 991 CB PRO A 68 11.169 -7.305 5.970 1.00 0.00 C ATOM 992 CG PRO A 68 10.749 -8.682 5.588 1.00 0.00 C ATOM 993 CD PRO A 68 11.677 -9.610 6.319 1.00 0.00 C ATOM 0 HA PRO A 68 12.463 -6.754 7.672 1.00 0.00 H new ATOM 0 HB2 PRO A 68 10.341 -6.601 5.888 1.00 0.00 H new ATOM 0 HB3 PRO A 68 11.964 -6.939 5.320 1.00 0.00 H new ATOM 0 HG2 PRO A 68 9.712 -8.866 5.867 1.00 0.00 H new ATOM 0 HG3 PRO A 68 10.819 -8.828 4.510 1.00 0.00 H new ATOM 0 HD2 PRO A 68 11.185 -10.547 6.581 1.00 0.00 H new ATOM 0 HD3 PRO A 68 12.548 -9.866 5.715 1.00 0.00 H new ATOM 1001 N THR A 69 10.062 -5.838 8.323 1.00 0.00 N ATOM 1002 CA THR A 69 8.984 -5.374 9.189 1.00 0.00 C ATOM 1003 C THR A 69 8.431 -4.035 8.709 1.00 0.00 C ATOM 1004 O THR A 69 7.424 -3.988 8.000 1.00 0.00 O ATOM 1005 CB THR A 69 9.449 -5.242 10.654 1.00 0.00 C ATOM 1006 OG1 THR A 69 8.641 -4.280 11.344 1.00 0.00 O ATOM 1007 CG2 THR A 69 10.912 -4.828 10.730 1.00 0.00 C ATOM 0 H THR A 69 10.422 -5.130 7.683 1.00 0.00 H new ATOM 0 HA THR A 69 8.195 -6.124 9.141 1.00 0.00 H new ATOM 0 HB THR A 69 9.340 -6.217 11.129 1.00 0.00 H new ATOM 0 HG1 THR A 69 8.943 -4.205 12.273 1.00 0.00 H new ATOM 0 HG21 THR A 69 11.212 -4.743 11.774 1.00 0.00 H new ATOM 0 HG22 THR A 69 11.529 -5.578 10.235 1.00 0.00 H new ATOM 0 HG23 THR A 69 11.044 -3.866 10.235 1.00 0.00 H new ATOM 1015 N LYS A 70 9.094 -2.949 9.096 1.00 0.00 N ATOM 1016 CA LYS A 70 8.672 -1.608 8.706 1.00 0.00 C ATOM 1017 C LYS A 70 9.671 -0.562 9.191 1.00 0.00 C ATOM 1018 O LYS A 70 10.161 -0.634 10.318 1.00 0.00 O ATOM 1019 CB LYS A 70 7.284 -1.299 9.272 1.00 0.00 C ATOM 1020 CG LYS A 70 6.285 -0.845 8.219 1.00 0.00 C ATOM 1021 CD LYS A 70 6.464 0.627 7.879 1.00 0.00 C ATOM 1022 CE LYS A 70 6.468 0.855 6.376 1.00 0.00 C ATOM 1023 NZ LYS A 70 6.799 2.265 6.030 1.00 0.00 N ATOM 0 H LYS A 70 9.929 -2.972 9.682 1.00 0.00 H new ATOM 0 HA LYS A 70 8.630 -1.572 7.617 1.00 0.00 H new ATOM 0 HB2 LYS A 70 6.897 -2.189 9.769 1.00 0.00 H new ATOM 0 HB3 LYS A 70 7.375 -0.524 10.033 1.00 0.00 H new ATOM 0 HG2 LYS A 70 6.407 -1.445 7.317 1.00 0.00 H new ATOM 0 HG3 LYS A 70 5.271 -1.015 8.581 1.00 0.00 H new ATOM 0 HD2 LYS A 70 5.661 1.207 8.334 1.00 0.00 H new ATOM 0 HD3 LYS A 70 7.400 0.989 8.305 1.00 0.00 H new ATOM 0 HE2 LYS A 70 7.192 0.187 5.909 1.00 0.00 H new ATOM 0 HE3 LYS A 70 5.490 0.601 5.967 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 6.758 2.388 4.998 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 6.114 2.903 6.482 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 7.757 2.490 6.368 1.00 0.00 H new ATOM 1037 N SER A 71 9.968 0.409 8.333 1.00 0.00 N ATOM 1038 CA SER A 71 10.908 1.470 8.675 1.00 0.00 C ATOM 1039 C SER A 71 10.696 2.693 7.788 1.00 0.00 C ATOM 1040 O SER A 71 9.714 2.774 7.050 1.00 0.00 O ATOM 1041 CB SER A 71 12.348 0.971 8.539 1.00 0.00 C ATOM 1042 OG SER A 71 13.146 1.412 9.625 1.00 0.00 O ATOM 0 H SER A 71 9.571 0.483 7.396 1.00 0.00 H new ATOM 0 HA SER A 71 10.728 1.759 9.711 1.00 0.00 H new ATOM 0 HB2 SER A 71 12.356 -0.118 8.496 1.00 0.00 H new ATOM 0 HB3 SER A 71 12.773 1.330 7.602 1.00 0.00 H new ATOM 0 HG SER A 71 13.630 0.650 10.006 1.00 0.00 H new ATOM 1048 N ASP A 72 11.623 3.643 7.866 1.00 0.00 N ATOM 1049 CA ASP A 72 11.540 4.862 7.070 1.00 0.00 C ATOM 1050 C ASP A 72 12.931 5.391 6.738 1.00 0.00 C ATOM 1051 O ASP A 72 13.111 6.585 6.497 1.00 0.00 O ATOM 1052 CB ASP A 72 10.740 5.930 7.819 1.00 0.00 C ATOM 1053 CG ASP A 72 9.526 6.398 7.039 1.00 0.00 C ATOM 1054 OD1 ASP A 72 8.697 5.543 6.665 1.00 0.00 O ATOM 1055 OD2 ASP A 72 9.407 7.619 6.803 1.00 0.00 O ATOM 0 H ASP A 72 12.441 3.592 8.473 1.00 0.00 H new ATOM 0 HA ASP A 72 11.030 4.623 6.136 1.00 0.00 H new ATOM 0 HB2 ASP A 72 10.418 5.531 8.781 1.00 0.00 H new ATOM 0 HB3 ASP A 72 11.385 6.783 8.028 1.00 0.00 H new ATOM 1060 N GLY A 73 13.911 4.493 6.724 1.00 0.00 N ATOM 1061 CA GLY A 73 15.276 4.886 6.420 1.00 0.00 C ATOM 1062 C GLY A 73 16.261 3.752 6.620 1.00 0.00 C ATOM 1063 O GLY A 73 17.438 3.875 6.280 1.00 0.00 O ATOM 0 H GLY A 73 13.785 3.500 6.918 1.00 0.00 H new ATOM 0 HA2 GLY A 73 15.330 5.233 5.388 1.00 0.00 H new ATOM 0 HA3 GLY A 73 15.559 5.726 7.054 1.00 0.00 H new ATOM 1067 N ALA A 74 15.779 2.644 7.174 1.00 0.00 N ATOM 1068 CA ALA A 74 16.623 1.480 7.421 1.00 0.00 C ATOM 1069 C ALA A 74 16.835 0.676 6.142 1.00 0.00 C ATOM 1070 O ALA A 74 15.875 0.282 5.479 1.00 0.00 O ATOM 1071 CB ALA A 74 16.007 0.605 8.500 1.00 0.00 C ATOM 0 H ALA A 74 14.807 2.528 7.461 1.00 0.00 H new ATOM 0 HA ALA A 74 17.596 1.831 7.764 1.00 0.00 H new ATOM 0 HB1 ALA A 74 16.646 -0.260 8.675 1.00 0.00 H new ATOM 0 HB2 ALA A 74 15.911 1.178 9.422 1.00 0.00 H new ATOM 0 HB3 ALA A 74 15.022 0.269 8.177 1.00 0.00 H new ATOM 1077 N VAL A 75 18.097 0.434 5.803 1.00 0.00 N ATOM 1078 CA VAL A 75 18.435 -0.324 4.604 1.00 0.00 C ATOM 1079 C VAL A 75 19.122 -1.638 4.957 1.00 0.00 C ATOM 1080 O VAL A 75 19.823 -1.733 5.965 1.00 0.00 O ATOM 1081 CB VAL A 75 19.352 0.482 3.661 1.00 0.00 C ATOM 1082 CG1 VAL A 75 18.548 1.083 2.519 1.00 0.00 C ATOM 1083 CG2 VAL A 75 20.097 1.565 4.428 1.00 0.00 C ATOM 0 H VAL A 75 18.903 0.752 6.342 1.00 0.00 H new ATOM 0 HA VAL A 75 17.495 -0.532 4.093 1.00 0.00 H new ATOM 0 HB VAL A 75 20.090 -0.199 3.237 1.00 0.00 H new ATOM 0 HG11 VAL A 75 19.212 1.648 1.864 1.00 0.00 H new ATOM 0 HG12 VAL A 75 18.071 0.285 1.950 1.00 0.00 H new ATOM 0 HG13 VAL A 75 17.784 1.748 2.922 1.00 0.00 H new ATOM 0 HG21 VAL A 75 20.738 2.121 3.743 1.00 0.00 H new ATOM 0 HG22 VAL A 75 19.379 2.245 4.886 1.00 0.00 H new ATOM 0 HG23 VAL A 75 20.708 1.106 5.205 1.00 0.00 H new ATOM 1093 N SER A 76 18.917 -2.651 4.120 1.00 0.00 N ATOM 1094 CA SER A 76 19.516 -3.962 4.340 1.00 0.00 C ATOM 1095 C SER A 76 19.816 -4.648 3.012 1.00 0.00 C ATOM 1096 O SER A 76 19.034 -4.553 2.067 1.00 0.00 O ATOM 1097 CB SER A 76 18.586 -4.838 5.180 1.00 0.00 C ATOM 1098 OG SER A 76 17.267 -4.317 5.191 1.00 0.00 O ATOM 0 H SER A 76 18.339 -2.588 3.282 1.00 0.00 H new ATOM 0 HA SER A 76 20.453 -3.821 4.879 1.00 0.00 H new ATOM 0 HB2 SER A 76 18.577 -5.852 4.780 1.00 0.00 H new ATOM 0 HB3 SER A 76 18.964 -4.901 6.200 1.00 0.00 H new ATOM 0 HG SER A 76 17.077 -3.925 6.069 1.00 0.00 H new ATOM 1104 N GLY A 77 20.949 -5.340 2.947 1.00 0.00 N ATOM 1105 CA GLY A 77 21.324 -6.029 1.725 1.00 0.00 C ATOM 1106 C GLY A 77 22.059 -7.329 1.991 1.00 0.00 C ATOM 1107 O GLY A 77 22.782 -7.449 2.980 1.00 0.00 O ATOM 0 H GLY A 77 21.612 -5.436 3.716 1.00 0.00 H new ATOM 0 HA2 GLY A 77 20.428 -6.236 1.139 1.00 0.00 H new ATOM 0 HA3 GLY A 77 21.955 -5.376 1.123 1.00 0.00 H new