USER MOD reduce.3.24.130724 H: found=0, std=0, add=416, rem=0, adj=11 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= 0.0722 USER MOD Single : A 21 THR OG1 : rot 180:sc= -0.373 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 SER OG : rot 170:sc= -0.308 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 140:sc= -0.451 USER MOD Single : A 35 GLN : amide:sc= -0.237 X(o=-0.24,f=-0.012) USER MOD Single : A 38 GLN : amide:sc= -0.462 X(o=-0.46,f=-0.018) 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 -11:sc= -0.493! USER MOD Single : A 54 SER OG : rot -16:sc= 0.704 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 SER OG : rot 180:sc= -0.345 USER MOD Single : A 69 THR OG1 : rot 180:sc= -1.21 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 76 SER OG : rot -110:sc= 0.744 USER MOD ----------------------------------------------------------------- ATOM 268 N VAL A 18 13.952 -1.099 4.254 1.00 0.00 N ATOM 269 CA VAL A 18 13.566 -2.352 4.894 1.00 0.00 C ATOM 270 C VAL A 18 14.534 -2.718 6.015 1.00 0.00 C ATOM 271 O VAL A 18 15.681 -3.087 5.763 1.00 0.00 O ATOM 272 CB VAL A 18 13.513 -3.511 3.880 1.00 0.00 C ATOM 273 CG1 VAL A 18 13.037 -4.790 4.551 1.00 0.00 C ATOM 274 CG2 VAL A 18 12.616 -3.154 2.704 1.00 0.00 C ATOM 0 HA VAL A 18 12.571 -2.199 5.311 1.00 0.00 H new ATOM 0 HB VAL A 18 14.521 -3.680 3.501 1.00 0.00 H new ATOM 0 HG11 VAL A 18 13.007 -5.596 3.818 1.00 0.00 H new ATOM 0 HG12 VAL A 18 13.723 -5.056 5.355 1.00 0.00 H new ATOM 0 HG13 VAL A 18 12.039 -4.636 4.962 1.00 0.00 H new ATOM 0 HG21 VAL A 18 12.592 -3.985 1.999 1.00 0.00 H new ATOM 0 HG22 VAL A 18 11.607 -2.954 3.064 1.00 0.00 H new ATOM 0 HG23 VAL A 18 13.006 -2.267 2.205 1.00 0.00 H new ATOM 284 N SER A 19 14.062 -2.615 7.255 1.00 0.00 N ATOM 285 CA SER A 19 14.883 -2.938 8.415 1.00 0.00 C ATOM 286 C SER A 19 14.813 -4.428 8.729 1.00 0.00 C ATOM 287 O SER A 19 14.094 -5.177 8.068 1.00 0.00 O ATOM 288 CB SER A 19 14.428 -2.127 9.630 1.00 0.00 C ATOM 289 OG SER A 19 13.071 -1.741 9.507 1.00 0.00 O ATOM 0 H SER A 19 13.115 -2.310 7.481 1.00 0.00 H new ATOM 0 HA SER A 19 15.916 -2.681 8.182 1.00 0.00 H new ATOM 0 HB2 SER A 19 14.560 -2.718 10.536 1.00 0.00 H new ATOM 0 HB3 SER A 19 15.053 -1.240 9.734 1.00 0.00 H new ATOM 0 HG SER A 19 12.759 -1.367 10.357 1.00 0.00 H new ATOM 295 N PHE A 20 15.564 -4.854 9.741 1.00 0.00 N ATOM 296 CA PHE A 20 15.580 -6.257 10.136 1.00 0.00 C ATOM 297 C PHE A 20 15.520 -6.403 11.651 1.00 0.00 C ATOM 298 O PHE A 20 16.020 -5.552 12.389 1.00 0.00 O ATOM 299 CB PHE A 20 16.830 -6.952 9.591 1.00 0.00 C ATOM 300 CG PHE A 20 16.620 -7.607 8.254 1.00 0.00 C ATOM 301 CD1 PHE A 20 15.387 -8.141 7.910 1.00 0.00 C ATOM 302 CD2 PHE A 20 17.657 -7.690 7.341 1.00 0.00 C ATOM 303 CE1 PHE A 20 15.195 -8.742 6.682 1.00 0.00 C ATOM 304 CE2 PHE A 20 17.472 -8.290 6.109 1.00 0.00 C ATOM 305 CZ PHE A 20 16.239 -8.816 5.780 1.00 0.00 C ATOM 0 H PHE A 20 16.167 -4.250 10.300 1.00 0.00 H new ATOM 0 HA PHE A 20 14.696 -6.733 9.712 1.00 0.00 H new ATOM 0 HB2 PHE A 20 17.634 -6.221 9.506 1.00 0.00 H new ATOM 0 HB3 PHE A 20 17.158 -7.705 10.307 1.00 0.00 H new ATOM 0 HD1 PHE A 20 14.567 -8.086 8.611 1.00 0.00 H new ATOM 0 HD2 PHE A 20 18.624 -7.281 7.594 1.00 0.00 H new ATOM 0 HE1 PHE A 20 14.230 -9.154 6.427 1.00 0.00 H new ATOM 0 HE2 PHE A 20 18.290 -8.347 5.406 1.00 0.00 H new ATOM 0 HZ PHE A 20 16.090 -9.285 4.819 1.00 0.00 H new ATOM 315 N THR A 21 14.904 -7.488 12.110 1.00 0.00 N ATOM 316 CA THR A 21 14.775 -7.750 13.539 1.00 0.00 C ATOM 317 C THR A 21 14.395 -9.202 13.797 1.00 0.00 C ATOM 318 O THR A 21 14.156 -9.969 12.865 1.00 0.00 O ATOM 319 CB THR A 21 13.723 -6.830 14.188 1.00 0.00 C ATOM 320 OG1 THR A 21 13.552 -7.169 15.568 1.00 0.00 O ATOM 321 CG2 THR A 21 12.389 -6.938 13.465 1.00 0.00 C ATOM 0 H THR A 21 14.486 -8.201 11.512 1.00 0.00 H new ATOM 0 HA THR A 21 15.747 -7.546 13.987 1.00 0.00 H new ATOM 0 HB THR A 21 14.079 -5.803 14.111 1.00 0.00 H new ATOM 0 HG1 THR A 21 12.883 -6.577 15.970 1.00 0.00 H new ATOM 0 HG21 THR A 21 11.663 -6.280 13.941 1.00 0.00 H new ATOM 0 HG22 THR A 21 12.515 -6.645 12.423 1.00 0.00 H new ATOM 0 HG23 THR A 21 12.032 -7.967 13.512 1.00 0.00 H new ATOM 329 N GLY A 22 14.342 -9.573 15.072 1.00 0.00 N ATOM 330 CA GLY A 22 13.991 -10.933 15.437 1.00 0.00 C ATOM 331 C GLY A 22 15.176 -11.875 15.366 1.00 0.00 C ATOM 332 O GLY A 22 15.351 -12.728 16.235 1.00 0.00 O ATOM 0 H GLY A 22 14.536 -8.955 15.860 1.00 0.00 H new ATOM 0 HA2 GLY A 22 13.584 -10.941 16.448 1.00 0.00 H new ATOM 0 HA3 GLY A 22 13.204 -11.293 14.774 1.00 0.00 H new ATOM 336 N GLY A 23 15.994 -11.716 14.329 1.00 0.00 N ATOM 337 CA GLY A 23 17.161 -12.563 14.168 1.00 0.00 C ATOM 338 C GLY A 23 18.215 -12.302 15.225 1.00 0.00 C ATOM 339 O GLY A 23 18.003 -11.505 16.138 1.00 0.00 O ATOM 0 H GLY A 23 15.869 -11.016 13.598 1.00 0.00 H new ATOM 0 HA2 GLY A 23 16.857 -13.609 14.213 1.00 0.00 H new ATOM 0 HA3 GLY A 23 17.592 -12.399 13.181 1.00 0.00 H new ATOM 343 N LYS A 24 19.353 -12.979 15.105 1.00 0.00 N ATOM 344 CA LYS A 24 20.441 -12.817 16.060 1.00 0.00 C ATOM 345 C LYS A 24 21.689 -12.261 15.381 1.00 0.00 C ATOM 346 O LYS A 24 22.549 -13.017 14.926 1.00 0.00 O ATOM 347 CB LYS A 24 20.762 -14.155 16.727 1.00 0.00 C ATOM 348 CG LYS A 24 20.080 -14.343 18.072 1.00 0.00 C ATOM 349 CD LYS A 24 20.791 -13.570 19.171 1.00 0.00 C ATOM 350 CE LYS A 24 20.615 -14.236 20.525 1.00 0.00 C ATOM 351 NZ LYS A 24 20.757 -13.266 21.646 1.00 0.00 N ATOM 0 H LYS A 24 19.544 -13.644 14.356 1.00 0.00 H new ATOM 0 HA LYS A 24 20.119 -12.105 16.820 1.00 0.00 H new ATOM 0 HB2 LYS A 24 20.463 -14.964 16.061 1.00 0.00 H new ATOM 0 HB3 LYS A 24 21.841 -14.235 16.862 1.00 0.00 H new ATOM 0 HG2 LYS A 24 19.044 -14.012 18.005 1.00 0.00 H new ATOM 0 HG3 LYS A 24 20.060 -15.403 18.326 1.00 0.00 H new ATOM 0 HD2 LYS A 24 21.853 -13.496 18.936 1.00 0.00 H new ATOM 0 HD3 LYS A 24 20.402 -12.553 19.212 1.00 0.00 H new ATOM 0 HE2 LYS A 24 19.632 -14.705 20.573 1.00 0.00 H new ATOM 0 HE3 LYS A 24 21.353 -15.030 20.637 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 20.630 -13.761 22.552 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 21.704 -12.837 21.616 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 20.037 -12.522 21.554 1.00 0.00 H new ATOM 365 N ALA A 25 21.786 -10.936 15.321 1.00 0.00 N ATOM 366 CA ALA A 25 22.933 -10.281 14.703 1.00 0.00 C ATOM 367 C ALA A 25 24.215 -10.610 15.461 1.00 0.00 C ATOM 368 O ALA A 25 24.295 -10.414 16.673 1.00 0.00 O ATOM 369 CB ALA A 25 22.720 -8.774 14.653 1.00 0.00 C ATOM 0 H ALA A 25 21.084 -10.296 15.693 1.00 0.00 H new ATOM 0 HA ALA A 25 23.032 -10.654 13.684 1.00 0.00 H new ATOM 0 HB1 ALA A 25 23.585 -8.300 14.189 1.00 0.00 H new ATOM 0 HB2 ALA A 25 21.827 -8.552 14.069 1.00 0.00 H new ATOM 0 HB3 ALA A 25 22.595 -8.390 15.666 1.00 0.00 H new ATOM 375 N ILE A 26 25.216 -11.107 14.742 1.00 0.00 N ATOM 376 CA ILE A 26 26.490 -11.455 15.359 1.00 0.00 C ATOM 377 C ILE A 26 27.263 -10.197 15.736 1.00 0.00 C ATOM 378 O ILE A 26 28.266 -10.257 16.446 1.00 0.00 O ATOM 379 CB ILE A 26 27.359 -12.334 14.433 1.00 0.00 C ATOM 380 CG1 ILE A 26 27.897 -11.517 13.250 1.00 0.00 C ATOM 381 CG2 ILE A 26 26.566 -13.540 13.948 1.00 0.00 C ATOM 382 CD1 ILE A 26 26.896 -11.309 12.133 1.00 0.00 C ATOM 0 H ILE A 26 25.170 -11.277 13.737 1.00 0.00 H new ATOM 0 HA ILE A 26 26.263 -12.029 16.258 1.00 0.00 H new ATOM 0 HB ILE A 26 28.214 -12.695 15.004 1.00 0.00 H new ATOM 0 HG12 ILE A 26 28.225 -10.544 13.615 1.00 0.00 H new ATOM 0 HG13 ILE A 26 28.776 -12.019 12.846 1.00 0.00 H new ATOM 0 HG21 ILE A 26 27.192 -14.149 13.297 1.00 0.00 H new ATOM 0 HG22 ILE A 26 26.247 -14.134 14.804 1.00 0.00 H new ATOM 0 HG23 ILE A 26 25.690 -13.201 13.395 1.00 0.00 H new ATOM 0 HD11 ILE A 26 27.356 -10.723 11.337 1.00 0.00 H new ATOM 0 HD12 ILE A 26 26.585 -12.276 11.738 1.00 0.00 H new ATOM 0 HD13 ILE A 26 26.026 -10.778 12.519 1.00 0.00 H new ATOM 394 N SER A 27 26.774 -9.060 15.254 1.00 0.00 N ATOM 395 CA SER A 27 27.395 -7.770 15.529 1.00 0.00 C ATOM 396 C SER A 27 26.563 -6.645 14.932 1.00 0.00 C ATOM 397 O SER A 27 26.045 -6.761 13.824 1.00 0.00 O ATOM 398 CB SER A 27 28.818 -7.725 14.970 1.00 0.00 C ATOM 399 OG SER A 27 29.193 -6.401 14.632 1.00 0.00 O ATOM 0 H SER A 27 25.942 -9.006 14.666 1.00 0.00 H new ATOM 0 HA SER A 27 27.444 -7.638 16.610 1.00 0.00 H new ATOM 0 HB2 SER A 27 29.514 -8.126 15.707 1.00 0.00 H new ATOM 0 HB3 SER A 27 28.886 -8.362 14.088 1.00 0.00 H new ATOM 0 HG SER A 27 30.152 -6.374 14.431 1.00 0.00 H new ATOM 405 N GLU A 28 26.432 -5.561 15.681 1.00 0.00 N ATOM 406 CA GLU A 28 25.658 -4.415 15.232 1.00 0.00 C ATOM 407 C GLU A 28 26.420 -3.121 15.479 1.00 0.00 C ATOM 408 O GLU A 28 27.017 -2.932 16.537 1.00 0.00 O ATOM 409 CB GLU A 28 24.313 -4.363 15.953 1.00 0.00 C ATOM 410 CG GLU A 28 23.916 -5.671 16.618 1.00 0.00 C ATOM 411 CD GLU A 28 23.087 -5.461 17.869 1.00 0.00 C ATOM 412 OE1 GLU A 28 23.619 -4.894 18.846 1.00 0.00 O ATOM 413 OE2 GLU A 28 21.904 -5.864 17.872 1.00 0.00 O ATOM 0 H GLU A 28 26.852 -5.451 16.604 1.00 0.00 H new ATOM 0 HA GLU A 28 25.485 -4.524 14.161 1.00 0.00 H new ATOM 0 HB2 GLU A 28 24.348 -3.579 16.709 1.00 0.00 H new ATOM 0 HB3 GLU A 28 23.540 -4.082 15.238 1.00 0.00 H new ATOM 0 HG2 GLU A 28 23.351 -6.277 15.910 1.00 0.00 H new ATOM 0 HG3 GLU A 28 24.815 -6.232 16.872 1.00 0.00 H new ATOM 420 N ALA A 29 26.391 -2.236 14.495 1.00 0.00 N ATOM 421 CA ALA A 29 27.076 -0.953 14.603 1.00 0.00 C ATOM 422 C ALA A 29 26.086 0.180 14.845 1.00 0.00 C ATOM 423 O ALA A 29 24.872 -0.023 14.804 1.00 0.00 O ATOM 424 CB ALA A 29 27.895 -0.684 13.349 1.00 0.00 C ATOM 0 H ALA A 29 25.901 -2.380 13.612 1.00 0.00 H new ATOM 0 HA ALA A 29 27.749 -1.000 15.459 1.00 0.00 H new ATOM 0 HB1 ALA A 29 28.401 0.277 13.444 1.00 0.00 H new ATOM 0 HB2 ALA A 29 28.636 -1.473 13.222 1.00 0.00 H new ATOM 0 HB3 ALA A 29 27.236 -0.663 12.481 1.00 0.00 H new ATOM 430 N LYS A 30 26.611 1.375 15.096 1.00 0.00 N ATOM 431 CA LYS A 30 25.775 2.543 15.343 1.00 0.00 C ATOM 432 C LYS A 30 26.068 3.639 14.323 1.00 0.00 C ATOM 433 O LYS A 30 25.993 4.828 14.632 1.00 0.00 O ATOM 434 CB LYS A 30 26.004 3.073 16.760 1.00 0.00 C ATOM 435 CG LYS A 30 24.725 3.227 17.566 1.00 0.00 C ATOM 436 CD LYS A 30 24.858 2.610 18.949 1.00 0.00 C ATOM 437 CE LYS A 30 25.033 3.674 20.019 1.00 0.00 C ATOM 438 NZ LYS A 30 23.745 4.007 20.688 1.00 0.00 N ATOM 0 H LYS A 30 27.613 1.559 15.134 1.00 0.00 H new ATOM 0 HA LYS A 30 24.732 2.243 15.243 1.00 0.00 H new ATOM 0 HB2 LYS A 30 26.677 2.397 17.288 1.00 0.00 H new ATOM 0 HB3 LYS A 30 26.505 4.039 16.701 1.00 0.00 H new ATOM 0 HG2 LYS A 30 24.479 4.285 17.661 1.00 0.00 H new ATOM 0 HG3 LYS A 30 23.900 2.754 17.034 1.00 0.00 H new ATOM 0 HD2 LYS A 30 23.973 2.013 19.169 1.00 0.00 H new ATOM 0 HD3 LYS A 30 25.711 1.932 18.966 1.00 0.00 H new ATOM 0 HE2 LYS A 30 25.749 3.326 20.763 1.00 0.00 H new ATOM 0 HE3 LYS A 30 25.452 4.574 19.570 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 23.908 4.737 21.411 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 23.069 4.364 19.982 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 23.357 3.154 21.139 1.00 0.00 H new ATOM 452 N ALA A 31 26.404 3.224 13.105 1.00 0.00 N ATOM 453 CA ALA A 31 26.714 4.162 12.033 1.00 0.00 C ATOM 454 C ALA A 31 25.445 4.756 11.433 1.00 0.00 C ATOM 455 O ALA A 31 24.350 4.222 11.612 1.00 0.00 O ATOM 456 CB ALA A 31 27.531 3.469 10.954 1.00 0.00 C ATOM 0 H ALA A 31 26.468 2.242 12.836 1.00 0.00 H new ATOM 0 HA ALA A 31 27.299 4.979 12.456 1.00 0.00 H new ATOM 0 HB1 ALA A 31 27.758 4.178 10.158 1.00 0.00 H new ATOM 0 HB2 ALA A 31 28.461 3.097 11.384 1.00 0.00 H new ATOM 0 HB3 ALA A 31 26.961 2.635 10.546 1.00 0.00 H new ATOM 462 N ALA A 32 25.603 5.864 10.714 1.00 0.00 N ATOM 463 CA ALA A 32 24.474 6.532 10.079 1.00 0.00 C ATOM 464 C ALA A 32 24.374 6.143 8.608 1.00 0.00 C ATOM 465 O ALA A 32 23.317 6.276 7.990 1.00 0.00 O ATOM 466 CB ALA A 32 24.603 8.040 10.222 1.00 0.00 C ATOM 0 H ALA A 32 26.503 6.317 10.557 1.00 0.00 H new ATOM 0 HA ALA A 32 23.560 6.211 10.580 1.00 0.00 H new ATOM 0 HB1 ALA A 32 23.753 8.525 9.743 1.00 0.00 H new ATOM 0 HB2 ALA A 32 24.623 8.305 11.279 1.00 0.00 H new ATOM 0 HB3 ALA A 32 25.526 8.373 9.747 1.00 0.00 H new ATOM 472 N SER A 33 25.482 5.658 8.056 1.00 0.00 N ATOM 473 CA SER A 33 25.527 5.244 6.659 1.00 0.00 C ATOM 474 C SER A 33 25.995 3.798 6.539 1.00 0.00 C ATOM 475 O SER A 33 26.885 3.361 7.271 1.00 0.00 O ATOM 476 CB SER A 33 26.455 6.162 5.862 1.00 0.00 C ATOM 477 OG SER A 33 25.762 6.789 4.797 1.00 0.00 O ATOM 0 H SER A 33 26.363 5.542 8.557 1.00 0.00 H new ATOM 0 HA SER A 33 24.519 5.317 6.250 1.00 0.00 H new ATOM 0 HB2 SER A 33 26.876 6.920 6.522 1.00 0.00 H new ATOM 0 HB3 SER A 33 27.290 5.585 5.466 1.00 0.00 H new ATOM 0 HG SER A 33 26.377 7.372 4.304 1.00 0.00 H new ATOM 483 N SER A 34 25.389 3.058 5.615 1.00 0.00 N ATOM 484 CA SER A 34 25.739 1.659 5.402 1.00 0.00 C ATOM 485 C SER A 34 27.216 1.508 5.061 1.00 0.00 C ATOM 486 O SER A 34 27.832 0.489 5.372 1.00 0.00 O ATOM 487 CB SER A 34 24.891 1.067 4.280 1.00 0.00 C ATOM 488 OG SER A 34 23.602 1.657 4.246 1.00 0.00 O ATOM 0 H SER A 34 24.652 3.405 5.001 1.00 0.00 H new ATOM 0 HA SER A 34 25.541 1.120 6.329 1.00 0.00 H new ATOM 0 HB2 SER A 34 25.390 1.221 3.323 1.00 0.00 H new ATOM 0 HB3 SER A 34 24.797 -0.010 4.421 1.00 0.00 H new ATOM 0 HG SER A 34 23.334 1.803 3.315 1.00 0.00 H new ATOM 494 N GLN A 35 27.778 2.528 4.419 1.00 0.00 N ATOM 495 CA GLN A 35 29.184 2.511 4.035 1.00 0.00 C ATOM 496 C GLN A 35 30.062 2.150 5.229 1.00 0.00 C ATOM 497 O GLN A 35 30.977 1.333 5.118 1.00 0.00 O ATOM 498 CB GLN A 35 29.586 3.873 3.463 1.00 0.00 C ATOM 499 CG GLN A 35 31.074 4.177 3.565 1.00 0.00 C ATOM 500 CD GLN A 35 31.350 5.544 4.161 1.00 0.00 C ATOM 501 OE1 GLN A 35 32.047 6.364 3.564 1.00 0.00 O ATOM 502 NE2 GLN A 35 30.805 5.793 5.346 1.00 0.00 N ATOM 0 H GLN A 35 27.280 3.377 4.154 1.00 0.00 H new ATOM 0 HA GLN A 35 29.328 1.752 3.267 1.00 0.00 H new ATOM 0 HB2 GLN A 35 29.288 3.917 2.415 1.00 0.00 H new ATOM 0 HB3 GLN A 35 29.031 4.652 3.985 1.00 0.00 H new ATOM 0 HG2 GLN A 35 31.556 3.414 4.176 1.00 0.00 H new ATOM 0 HG3 GLN A 35 31.522 4.120 2.573 1.00 0.00 H new ATOM 0 HE21 GLN A 35 30.234 5.083 5.804 1.00 0.00 H new ATOM 0 HE22 GLN A 35 30.957 6.695 5.798 1.00 0.00 H new ATOM 511 N ALA A 36 29.765 2.756 6.372 1.00 0.00 N ATOM 512 CA ALA A 36 30.516 2.491 7.592 1.00 0.00 C ATOM 513 C ALA A 36 30.218 1.089 8.109 1.00 0.00 C ATOM 514 O ALA A 36 31.074 0.441 8.710 1.00 0.00 O ATOM 515 CB ALA A 36 30.187 3.531 8.653 1.00 0.00 C ATOM 0 H ALA A 36 29.010 3.434 6.479 1.00 0.00 H new ATOM 0 HA ALA A 36 31.580 2.554 7.363 1.00 0.00 H new ATOM 0 HB1 ALA A 36 30.756 3.320 9.558 1.00 0.00 H new ATOM 0 HB2 ALA A 36 30.448 4.523 8.284 1.00 0.00 H new ATOM 0 HB3 ALA A 36 29.121 3.497 8.878 1.00 0.00 H new ATOM 521 N CYS A 37 28.995 0.628 7.863 1.00 0.00 N ATOM 522 CA CYS A 37 28.572 -0.697 8.291 1.00 0.00 C ATOM 523 C CYS A 37 29.247 -1.776 7.451 1.00 0.00 C ATOM 524 O CYS A 37 29.390 -2.919 7.886 1.00 0.00 O ATOM 525 CB CYS A 37 27.053 -0.819 8.178 1.00 0.00 C ATOM 526 SG CYS A 37 26.145 0.669 8.705 1.00 0.00 S ATOM 0 H CYS A 37 28.278 1.157 7.367 1.00 0.00 H new ATOM 0 HA CYS A 37 28.867 -0.836 9.331 1.00 0.00 H new ATOM 0 HB2 CYS A 37 26.793 -1.042 7.143 1.00 0.00 H new ATOM 0 HB3 CYS A 37 26.722 -1.666 8.779 1.00 0.00 H new ATOM 531 N GLN A 38 29.662 -1.402 6.245 1.00 0.00 N ATOM 532 CA GLN A 38 30.326 -2.333 5.342 1.00 0.00 C ATOM 533 C GLN A 38 31.783 -2.525 5.744 1.00 0.00 C ATOM 534 O GLN A 38 32.288 -3.648 5.768 1.00 0.00 O ATOM 535 CB GLN A 38 30.244 -1.825 3.900 1.00 0.00 C ATOM 536 CG GLN A 38 28.844 -1.884 3.314 1.00 0.00 C ATOM 537 CD GLN A 38 28.628 -3.107 2.442 1.00 0.00 C ATOM 538 OE1 GLN A 38 28.400 -2.993 1.239 1.00 0.00 O ATOM 539 NE2 GLN A 38 28.700 -4.286 3.049 1.00 0.00 N ATOM 0 H GLN A 38 29.550 -0.460 5.871 1.00 0.00 H new ATOM 0 HA GLN A 38 29.817 -3.295 5.408 1.00 0.00 H new ATOM 0 HB2 GLN A 38 30.600 -0.795 3.865 1.00 0.00 H new ATOM 0 HB3 GLN A 38 30.915 -2.416 3.277 1.00 0.00 H new ATOM 0 HG2 GLN A 38 28.115 -1.886 4.124 1.00 0.00 H new ATOM 0 HG3 GLN A 38 28.663 -0.985 2.725 1.00 0.00 H new ATOM 0 HE21 GLN A 38 28.892 -4.334 4.050 1.00 0.00 H new ATOM 0 HE22 GLN A 38 28.564 -5.144 2.514 1.00 0.00 H new ATOM 548 N GLU A 39 32.454 -1.421 6.059 1.00 0.00 N ATOM 549 CA GLU A 39 33.854 -1.467 6.461 1.00 0.00 C ATOM 550 C GLU A 39 34.004 -2.094 7.843 1.00 0.00 C ATOM 551 O GLU A 39 35.024 -2.713 8.146 1.00 0.00 O ATOM 552 CB GLU A 39 34.454 -0.060 6.458 1.00 0.00 C ATOM 553 CG GLU A 39 35.118 0.316 5.144 1.00 0.00 C ATOM 554 CD GLU A 39 36.429 -0.414 4.924 1.00 0.00 C ATOM 555 OE1 GLU A 39 36.391 -1.587 4.497 1.00 0.00 O ATOM 556 OE2 GLU A 39 37.494 0.187 5.179 1.00 0.00 O ATOM 0 H GLU A 39 32.050 -0.485 6.043 1.00 0.00 H new ATOM 0 HA GLU A 39 34.392 -2.085 5.742 1.00 0.00 H new ATOM 0 HB2 GLU A 39 33.667 0.662 6.677 1.00 0.00 H new ATOM 0 HB3 GLU A 39 35.188 0.015 7.261 1.00 0.00 H new ATOM 0 HG2 GLU A 39 34.439 0.092 4.321 1.00 0.00 H new ATOM 0 HG3 GLU A 39 35.297 1.391 5.126 1.00 0.00 H new ATOM 563 N LEU A 40 32.982 -1.934 8.678 1.00 0.00 N ATOM 564 CA LEU A 40 33.002 -2.487 10.026 1.00 0.00 C ATOM 565 C LEU A 40 32.802 -4.000 9.991 1.00 0.00 C ATOM 566 O LEU A 40 33.531 -4.748 10.643 1.00 0.00 O ATOM 567 CB LEU A 40 31.923 -1.818 10.890 1.00 0.00 C ATOM 568 CG LEU A 40 30.947 -2.769 11.592 1.00 0.00 C ATOM 569 CD1 LEU A 40 30.896 -2.476 13.083 1.00 0.00 C ATOM 570 CD2 LEU A 40 29.561 -2.661 10.977 1.00 0.00 C ATOM 0 H LEU A 40 32.129 -1.425 8.444 1.00 0.00 H new ATOM 0 HA LEU A 40 33.977 -2.285 10.469 1.00 0.00 H new ATOM 0 HB2 LEU A 40 32.417 -1.210 11.648 1.00 0.00 H new ATOM 0 HB3 LEU A 40 31.349 -1.139 10.260 1.00 0.00 H new ATOM 0 HG LEU A 40 31.303 -3.790 11.456 1.00 0.00 H new ATOM 0 HD11 LEU A 40 30.198 -3.161 13.565 1.00 0.00 H new ATOM 0 HD12 LEU A 40 31.889 -2.607 13.514 1.00 0.00 H new ATOM 0 HD13 LEU A 40 30.565 -1.450 13.241 1.00 0.00 H new ATOM 0 HD21 LEU A 40 28.882 -3.343 11.488 1.00 0.00 H new ATOM 0 HD22 LEU A 40 29.195 -1.639 11.081 1.00 0.00 H new ATOM 0 HD23 LEU A 40 29.611 -2.923 9.920 1.00 0.00 H new ATOM 582 N CYS A 41 31.808 -4.442 9.226 1.00 0.00 N ATOM 583 CA CYS A 41 31.512 -5.863 9.107 1.00 0.00 C ATOM 584 C CYS A 41 32.616 -6.584 8.342 1.00 0.00 C ATOM 585 O CYS A 41 32.853 -7.775 8.548 1.00 0.00 O ATOM 586 CB CYS A 41 30.164 -6.065 8.410 1.00 0.00 C ATOM 587 SG CYS A 41 30.262 -6.979 6.836 1.00 0.00 S ATOM 0 H CYS A 41 31.195 -3.836 8.680 1.00 0.00 H new ATOM 0 HA CYS A 41 31.458 -6.288 10.109 1.00 0.00 H new ATOM 0 HB2 CYS A 41 29.496 -6.599 9.085 1.00 0.00 H new ATOM 0 HB3 CYS A 41 29.715 -5.089 8.223 1.00 0.00 H new ATOM 592 N GLU A 42 33.293 -5.853 7.461 1.00 0.00 N ATOM 593 CA GLU A 42 34.377 -6.423 6.669 1.00 0.00 C ATOM 594 C GLU A 42 35.531 -6.848 7.570 1.00 0.00 C ATOM 595 O GLU A 42 36.252 -7.798 7.268 1.00 0.00 O ATOM 596 CB GLU A 42 34.869 -5.411 5.633 1.00 0.00 C ATOM 597 CG GLU A 42 34.274 -5.621 4.250 1.00 0.00 C ATOM 598 CD GLU A 42 34.985 -6.708 3.468 1.00 0.00 C ATOM 599 OE1 GLU A 42 35.974 -6.391 2.775 1.00 0.00 O ATOM 600 OE2 GLU A 42 34.552 -7.877 3.548 1.00 0.00 O ATOM 0 H GLU A 42 33.110 -4.866 7.278 1.00 0.00 H new ATOM 0 HA GLU A 42 33.996 -7.302 6.150 1.00 0.00 H new ATOM 0 HB2 GLU A 42 34.626 -4.405 5.975 1.00 0.00 H new ATOM 0 HB3 GLU A 42 35.955 -5.471 5.565 1.00 0.00 H new ATOM 0 HG2 GLU A 42 33.220 -5.879 4.348 1.00 0.00 H new ATOM 0 HG3 GLU A 42 34.323 -4.686 3.692 1.00 0.00 H new ATOM 607 N LYS A 43 35.694 -6.136 8.681 1.00 0.00 N ATOM 608 CA LYS A 43 36.755 -6.438 9.635 1.00 0.00 C ATOM 609 C LYS A 43 36.422 -7.697 10.428 1.00 0.00 C ATOM 610 O LYS A 43 37.290 -8.284 11.074 1.00 0.00 O ATOM 611 CB LYS A 43 36.961 -5.258 10.587 1.00 0.00 C ATOM 612 CG LYS A 43 37.516 -4.017 9.906 1.00 0.00 C ATOM 613 CD LYS A 43 39.032 -4.066 9.804 1.00 0.00 C ATOM 614 CE LYS A 43 39.670 -2.816 10.386 1.00 0.00 C ATOM 615 NZ LYS A 43 41.080 -2.651 9.937 1.00 0.00 N ATOM 0 H LYS A 43 35.105 -5.346 8.943 1.00 0.00 H new ATOM 0 HA LYS A 43 37.677 -6.611 9.080 1.00 0.00 H new ATOM 0 HB2 LYS A 43 36.009 -5.010 11.056 1.00 0.00 H new ATOM 0 HB3 LYS A 43 37.640 -5.559 11.384 1.00 0.00 H new ATOM 0 HG2 LYS A 43 37.086 -3.926 8.908 1.00 0.00 H new ATOM 0 HG3 LYS A 43 37.217 -3.130 10.464 1.00 0.00 H new ATOM 0 HD2 LYS A 43 39.405 -4.945 10.330 1.00 0.00 H new ATOM 0 HD3 LYS A 43 39.324 -4.172 8.759 1.00 0.00 H new ATOM 0 HE2 LYS A 43 39.090 -1.941 10.090 1.00 0.00 H new ATOM 0 HE3 LYS A 43 39.639 -2.866 11.474 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 41.479 -1.787 10.356 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 41.640 -3.473 10.241 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 41.108 -2.577 8.900 1.00 0.00 H new ATOM 629 N ASP A 44 35.158 -8.106 10.369 1.00 0.00 N ATOM 630 CA ASP A 44 34.705 -9.298 11.077 1.00 0.00 C ATOM 631 C ASP A 44 34.529 -10.467 10.113 1.00 0.00 C ATOM 632 O ASP A 44 34.076 -10.288 8.981 1.00 0.00 O ATOM 633 CB ASP A 44 33.387 -9.015 11.801 1.00 0.00 C ATOM 634 CG ASP A 44 33.272 -9.771 13.110 1.00 0.00 C ATOM 635 OD1 ASP A 44 34.223 -9.705 13.919 1.00 0.00 O ATOM 636 OD2 ASP A 44 32.233 -10.428 13.328 1.00 0.00 O ATOM 0 H ASP A 44 34.429 -7.629 9.838 1.00 0.00 H new ATOM 0 HA ASP A 44 35.464 -9.567 11.811 1.00 0.00 H new ATOM 0 HB2 ASP A 44 33.304 -7.945 11.994 1.00 0.00 H new ATOM 0 HB3 ASP A 44 32.554 -9.287 11.153 1.00 0.00 H new ATOM 641 N ALA A 45 34.891 -11.663 10.567 1.00 0.00 N ATOM 642 CA ALA A 45 34.777 -12.860 9.744 1.00 0.00 C ATOM 643 C ALA A 45 33.463 -13.588 10.008 1.00 0.00 C ATOM 644 O ALA A 45 33.313 -14.763 9.672 1.00 0.00 O ATOM 645 CB ALA A 45 35.954 -13.789 10.000 1.00 0.00 C ATOM 0 H ALA A 45 35.266 -11.828 11.501 1.00 0.00 H new ATOM 0 HA ALA A 45 34.788 -12.552 8.698 1.00 0.00 H new ATOM 0 HB1 ALA A 45 35.857 -14.679 9.379 1.00 0.00 H new ATOM 0 HB2 ALA A 45 36.883 -13.275 9.754 1.00 0.00 H new ATOM 0 HB3 ALA A 45 35.967 -14.079 11.051 1.00 0.00 H new ATOM 651 N LYS A 46 32.513 -12.882 10.613 1.00 0.00 N ATOM 652 CA LYS A 46 31.211 -13.462 10.922 1.00 0.00 C ATOM 653 C LYS A 46 30.094 -12.712 10.205 1.00 0.00 C ATOM 654 O LYS A 46 28.913 -12.968 10.437 1.00 0.00 O ATOM 655 CB LYS A 46 30.967 -13.441 12.432 1.00 0.00 C ATOM 656 CG LYS A 46 31.955 -14.286 13.220 1.00 0.00 C ATOM 657 CD LYS A 46 32.552 -13.507 14.381 1.00 0.00 C ATOM 658 CE LYS A 46 31.714 -13.655 15.640 1.00 0.00 C ATOM 659 NZ LYS A 46 32.446 -14.386 16.711 1.00 0.00 N ATOM 0 H LYS A 46 32.620 -11.909 10.899 1.00 0.00 H new ATOM 0 HA LYS A 46 31.210 -14.495 10.573 1.00 0.00 H new ATOM 0 HB2 LYS A 46 31.019 -12.411 12.786 1.00 0.00 H new ATOM 0 HB3 LYS A 46 29.956 -13.796 12.633 1.00 0.00 H new ATOM 0 HG2 LYS A 46 31.453 -15.177 13.598 1.00 0.00 H new ATOM 0 HG3 LYS A 46 32.753 -14.626 12.560 1.00 0.00 H new ATOM 0 HD2 LYS A 46 33.565 -13.859 14.574 1.00 0.00 H new ATOM 0 HD3 LYS A 46 32.626 -12.453 14.114 1.00 0.00 H new ATOM 0 HE2 LYS A 46 31.428 -12.668 16.004 1.00 0.00 H new ATOM 0 HE3 LYS A 46 30.792 -14.186 15.402 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 31.841 -14.466 17.553 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 32.697 -15.337 16.373 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 33.313 -13.866 16.956 1.00 0.00 H new ATOM 673 N CYS A 47 30.474 -11.783 9.333 1.00 0.00 N ATOM 674 CA CYS A 47 29.501 -10.997 8.583 1.00 0.00 C ATOM 675 C CYS A 47 29.239 -11.612 7.213 1.00 0.00 C ATOM 676 O CYS A 47 30.133 -12.202 6.604 1.00 0.00 O ATOM 677 CB CYS A 47 29.989 -9.556 8.421 1.00 0.00 C ATOM 678 SG CYS A 47 29.089 -8.606 7.151 1.00 0.00 S ATOM 0 H CYS A 47 31.447 -11.557 9.129 1.00 0.00 H new ATOM 0 HA CYS A 47 28.567 -10.996 9.145 1.00 0.00 H new ATOM 0 HB2 CYS A 47 29.896 -9.042 9.378 1.00 0.00 H new ATOM 0 HB3 CYS A 47 31.049 -9.569 8.167 1.00 0.00 H new ATOM 683 N ARG A 48 28.008 -11.467 6.733 1.00 0.00 N ATOM 684 CA ARG A 48 27.622 -12.002 5.434 1.00 0.00 C ATOM 685 C ARG A 48 26.522 -11.152 4.809 1.00 0.00 C ATOM 686 O ARG A 48 26.545 -10.868 3.612 1.00 0.00 O ATOM 687 CB ARG A 48 27.146 -13.450 5.575 1.00 0.00 C ATOM 688 CG ARG A 48 27.341 -14.279 4.316 1.00 0.00 C ATOM 689 CD ARG A 48 28.287 -15.444 4.558 1.00 0.00 C ATOM 690 NE ARG A 48 28.719 -16.066 3.310 1.00 0.00 N ATOM 691 CZ ARG A 48 29.993 -16.209 2.958 1.00 0.00 C ATOM 692 NH1 ARG A 48 30.958 -15.773 3.758 1.00 0.00 N ATOM 693 NH2 ARG A 48 30.305 -16.786 1.806 1.00 0.00 N ATOM 0 H ARG A 48 27.259 -10.982 7.227 1.00 0.00 H new ATOM 0 HA ARG A 48 28.495 -11.978 4.782 1.00 0.00 H new ATOM 0 HB2 ARG A 48 27.683 -13.922 6.398 1.00 0.00 H new ATOM 0 HB3 ARG A 48 26.089 -13.452 5.842 1.00 0.00 H new ATOM 0 HG2 ARG A 48 26.377 -14.656 3.974 1.00 0.00 H new ATOM 0 HG3 ARG A 48 27.736 -13.647 3.520 1.00 0.00 H new ATOM 0 HD2 ARG A 48 29.160 -15.094 5.110 1.00 0.00 H new ATOM 0 HD3 ARG A 48 27.793 -16.189 5.182 1.00 0.00 H new ATOM 0 HE ARG A 48 28.002 -16.411 2.671 1.00 0.00 H new ATOM 0 HH11 ARG A 48 30.723 -15.327 4.645 1.00 0.00 H new ATOM 0 HH12 ARG A 48 31.935 -15.884 3.486 1.00 0.00 H new ATOM 0 HH21 ARG A 48 29.567 -17.121 1.187 1.00 0.00 H new ATOM 0 HH22 ARG A 48 31.283 -16.894 1.538 1.00 0.00 H new ATOM 707 N PHE A 49 25.562 -10.745 5.633 1.00 0.00 N ATOM 708 CA PHE A 49 24.450 -9.921 5.170 1.00 0.00 C ATOM 709 C PHE A 49 24.160 -8.803 6.166 1.00 0.00 C ATOM 710 O PHE A 49 23.328 -8.955 7.061 1.00 0.00 O ATOM 711 CB PHE A 49 23.198 -10.779 4.969 1.00 0.00 C ATOM 712 CG PHE A 49 23.435 -12.007 4.136 1.00 0.00 C ATOM 713 CD1 PHE A 49 23.570 -11.912 2.760 1.00 0.00 C ATOM 714 CD2 PHE A 49 23.524 -13.256 4.730 1.00 0.00 C ATOM 715 CE1 PHE A 49 23.789 -13.040 1.992 1.00 0.00 C ATOM 716 CE2 PHE A 49 23.742 -14.387 3.967 1.00 0.00 C ATOM 717 CZ PHE A 49 23.875 -14.279 2.596 1.00 0.00 C ATOM 0 H PHE A 49 25.531 -10.973 6.627 1.00 0.00 H new ATOM 0 HA PHE A 49 24.730 -9.475 4.216 1.00 0.00 H new ATOM 0 HB2 PHE A 49 22.814 -11.080 5.944 1.00 0.00 H new ATOM 0 HB3 PHE A 49 22.425 -10.173 4.496 1.00 0.00 H new ATOM 0 HD1 PHE A 49 23.503 -10.946 2.282 1.00 0.00 H new ATOM 0 HD2 PHE A 49 23.422 -13.346 5.801 1.00 0.00 H new ATOM 0 HE1 PHE A 49 23.893 -12.953 0.921 1.00 0.00 H new ATOM 0 HE2 PHE A 49 23.808 -15.355 4.442 1.00 0.00 H new ATOM 0 HZ PHE A 49 24.046 -15.162 1.998 1.00 0.00 H new ATOM 727 N PHE A 50 24.853 -7.679 6.007 1.00 0.00 N ATOM 728 CA PHE A 50 24.670 -6.536 6.893 1.00 0.00 C ATOM 729 C PHE A 50 23.296 -5.903 6.689 1.00 0.00 C ATOM 730 O PHE A 50 22.642 -6.133 5.672 1.00 0.00 O ATOM 731 CB PHE A 50 25.771 -5.498 6.654 1.00 0.00 C ATOM 732 CG PHE A 50 25.508 -4.593 5.483 1.00 0.00 C ATOM 733 CD1 PHE A 50 25.717 -5.036 4.187 1.00 0.00 C ATOM 734 CD2 PHE A 50 25.049 -3.301 5.681 1.00 0.00 C ATOM 735 CE1 PHE A 50 25.473 -4.206 3.109 1.00 0.00 C ATOM 736 CE2 PHE A 50 24.804 -2.467 4.607 1.00 0.00 C ATOM 737 CZ PHE A 50 25.016 -2.919 3.320 1.00 0.00 C ATOM 0 H PHE A 50 25.546 -7.536 5.273 1.00 0.00 H new ATOM 0 HA PHE A 50 24.734 -6.889 7.922 1.00 0.00 H new ATOM 0 HB2 PHE A 50 25.886 -4.891 7.552 1.00 0.00 H new ATOM 0 HB3 PHE A 50 26.717 -6.016 6.496 1.00 0.00 H new ATOM 0 HD1 PHE A 50 26.074 -6.041 4.017 1.00 0.00 H new ATOM 0 HD2 PHE A 50 24.881 -2.942 6.686 1.00 0.00 H new ATOM 0 HE1 PHE A 50 25.639 -4.563 2.103 1.00 0.00 H new ATOM 0 HE2 PHE A 50 24.447 -1.462 4.774 1.00 0.00 H new ATOM 0 HZ PHE A 50 24.825 -2.268 2.480 1.00 0.00 H new ATOM 747 N THR A 51 22.866 -5.105 7.662 1.00 0.00 N ATOM 748 CA THR A 51 21.571 -4.442 7.590 1.00 0.00 C ATOM 749 C THR A 51 21.531 -3.212 8.491 1.00 0.00 C ATOM 750 O THR A 51 21.398 -3.325 9.709 1.00 0.00 O ATOM 751 CB THR A 51 20.428 -5.400 7.982 1.00 0.00 C ATOM 752 OG1 THR A 51 20.366 -6.488 7.053 1.00 0.00 O ATOM 753 CG2 THR A 51 19.091 -4.674 8.008 1.00 0.00 C ATOM 0 H THR A 51 23.397 -4.903 8.509 1.00 0.00 H new ATOM 0 HA THR A 51 21.430 -4.130 6.555 1.00 0.00 H new ATOM 0 HB THR A 51 20.632 -5.782 8.982 1.00 0.00 H new ATOM 0 HG1 THR A 51 20.943 -6.295 6.285 1.00 0.00 H new ATOM 0 HG21 THR A 51 18.303 -5.373 8.287 1.00 0.00 H new ATOM 0 HG22 THR A 51 19.131 -3.863 8.735 1.00 0.00 H new ATOM 0 HG23 THR A 51 18.880 -4.265 7.020 1.00 0.00 H new ATOM 761 N LEU A 52 21.648 -2.036 7.880 1.00 0.00 N ATOM 762 CA LEU A 52 21.625 -0.780 8.621 1.00 0.00 C ATOM 763 C LEU A 52 20.209 -0.213 8.683 1.00 0.00 C ATOM 764 O LEU A 52 19.388 -0.471 7.804 1.00 0.00 O ATOM 765 CB LEU A 52 22.571 0.234 7.969 1.00 0.00 C ATOM 766 CG LEU A 52 22.379 1.687 8.413 1.00 0.00 C ATOM 767 CD1 LEU A 52 23.118 1.949 9.717 1.00 0.00 C ATOM 768 CD2 LEU A 52 22.851 2.643 7.328 1.00 0.00 C ATOM 0 H LEU A 52 21.760 -1.928 6.872 1.00 0.00 H new ATOM 0 HA LEU A 52 21.961 -0.976 9.639 1.00 0.00 H new ATOM 0 HB2 LEU A 52 23.598 -0.062 8.184 1.00 0.00 H new ATOM 0 HB3 LEU A 52 22.444 0.182 6.888 1.00 0.00 H new ATOM 0 HG LEU A 52 21.316 1.858 8.582 1.00 0.00 H new ATOM 0 HD11 LEU A 52 22.970 2.986 10.017 1.00 0.00 H new ATOM 0 HD12 LEU A 52 22.732 1.288 10.493 1.00 0.00 H new ATOM 0 HD13 LEU A 52 24.182 1.760 9.576 1.00 0.00 H new ATOM 0 HD21 LEU A 52 22.707 3.671 7.661 1.00 0.00 H new ATOM 0 HD22 LEU A 52 23.908 2.472 7.127 1.00 0.00 H new ATOM 0 HD23 LEU A 52 22.276 2.473 6.418 1.00 0.00 H new ATOM 780 N ALA A 53 19.931 0.561 9.728 1.00 0.00 N ATOM 781 CA ALA A 53 18.617 1.166 9.904 1.00 0.00 C ATOM 782 C ALA A 53 18.712 2.687 9.912 1.00 0.00 C ATOM 783 O ALA A 53 18.013 3.359 10.672 1.00 0.00 O ATOM 784 CB ALA A 53 17.976 0.670 11.189 1.00 0.00 C ATOM 0 H ALA A 53 20.599 0.783 10.466 1.00 0.00 H new ATOM 0 HA ALA A 53 17.992 0.870 9.062 1.00 0.00 H new ATOM 0 HB1 ALA A 53 16.995 1.130 11.307 1.00 0.00 H new ATOM 0 HB2 ALA A 53 17.866 -0.414 11.146 1.00 0.00 H new ATOM 0 HB3 ALA A 53 18.607 0.937 12.037 1.00 0.00 H new ATOM 790 N SER A 54 19.581 3.220 9.058 1.00 0.00 N ATOM 791 CA SER A 54 19.781 4.662 8.951 1.00 0.00 C ATOM 792 C SER A 54 20.389 5.240 10.227 1.00 0.00 C ATOM 793 O SER A 54 20.683 6.434 10.298 1.00 0.00 O ATOM 794 CB SER A 54 18.455 5.361 8.643 1.00 0.00 C ATOM 795 OG SER A 54 18.591 6.769 8.700 1.00 0.00 O ATOM 0 H SER A 54 20.162 2.670 8.425 1.00 0.00 H new ATOM 0 HA SER A 54 20.480 4.838 8.134 1.00 0.00 H new ATOM 0 HB2 SER A 54 18.108 5.067 7.653 1.00 0.00 H new ATOM 0 HB3 SER A 54 17.697 5.037 9.356 1.00 0.00 H new ATOM 0 HG SER A 54 19.423 6.999 9.164 1.00 0.00 H new ATOM 801 N GLY A 55 20.577 4.391 11.232 1.00 0.00 N ATOM 802 CA GLY A 55 21.149 4.845 12.487 1.00 0.00 C ATOM 803 C GLY A 55 21.748 3.714 13.301 1.00 0.00 C ATOM 804 O GLY A 55 22.261 3.937 14.398 1.00 0.00 O ATOM 0 H GLY A 55 20.344 3.398 11.200 1.00 0.00 H new ATOM 0 HA2 GLY A 55 21.920 5.588 12.282 1.00 0.00 H new ATOM 0 HA3 GLY A 55 20.377 5.341 13.075 1.00 0.00 H new ATOM 808 N LYS A 56 21.683 2.499 12.766 1.00 0.00 N ATOM 809 CA LYS A 56 22.225 1.333 13.455 1.00 0.00 C ATOM 810 C LYS A 56 22.429 0.171 12.488 1.00 0.00 C ATOM 811 O LYS A 56 21.474 -0.331 11.895 1.00 0.00 O ATOM 812 CB LYS A 56 21.290 0.908 14.589 1.00 0.00 C ATOM 813 CG LYS A 56 21.801 -0.280 15.386 1.00 0.00 C ATOM 814 CD LYS A 56 20.774 -0.750 16.403 1.00 0.00 C ATOM 815 CE LYS A 56 20.988 -0.092 17.757 1.00 0.00 C ATOM 816 NZ LYS A 56 19.702 0.181 18.453 1.00 0.00 N ATOM 0 H LYS A 56 21.261 2.296 11.860 1.00 0.00 H new ATOM 0 HA LYS A 56 23.194 1.607 13.872 1.00 0.00 H new ATOM 0 HB2 LYS A 56 21.144 1.752 15.264 1.00 0.00 H new ATOM 0 HB3 LYS A 56 20.314 0.662 14.171 1.00 0.00 H new ATOM 0 HG2 LYS A 56 22.044 -1.098 14.707 1.00 0.00 H new ATOM 0 HG3 LYS A 56 22.723 -0.007 15.898 1.00 0.00 H new ATOM 0 HD2 LYS A 56 19.771 -0.522 16.041 1.00 0.00 H new ATOM 0 HD3 LYS A 56 20.836 -1.833 16.510 1.00 0.00 H new ATOM 0 HE2 LYS A 56 21.608 -0.737 18.380 1.00 0.00 H new ATOM 0 HE3 LYS A 56 21.534 0.842 17.624 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 19.893 0.630 19.372 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 19.121 0.817 17.871 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 19.192 -0.713 18.604 1.00 0.00 H new ATOM 830 N CYS A 57 23.680 -0.254 12.337 1.00 0.00 N ATOM 831 CA CYS A 57 24.008 -1.358 11.446 1.00 0.00 C ATOM 832 C CYS A 57 23.805 -2.698 12.147 1.00 0.00 C ATOM 833 O CYS A 57 23.841 -2.776 13.375 1.00 0.00 O ATOM 834 CB CYS A 57 25.455 -1.241 10.961 1.00 0.00 C ATOM 835 SG CYS A 57 26.023 0.472 10.723 1.00 0.00 S ATOM 0 H CYS A 57 24.482 0.150 12.821 1.00 0.00 H new ATOM 0 HA CYS A 57 23.339 -1.308 10.587 1.00 0.00 H new ATOM 0 HB2 CYS A 57 26.109 -1.733 11.681 1.00 0.00 H new ATOM 0 HB3 CYS A 57 25.556 -1.780 10.019 1.00 0.00 H new ATOM 840 N SER A 58 23.594 -3.748 11.360 1.00 0.00 N ATOM 841 CA SER A 58 23.389 -5.086 11.907 1.00 0.00 C ATOM 842 C SER A 58 23.765 -6.150 10.883 1.00 0.00 C ATOM 843 O SER A 58 23.037 -6.378 9.918 1.00 0.00 O ATOM 844 CB SER A 58 21.934 -5.274 12.336 1.00 0.00 C ATOM 845 OG SER A 58 21.381 -4.064 12.825 1.00 0.00 O ATOM 0 H SER A 58 23.560 -3.699 10.342 1.00 0.00 H new ATOM 0 HA SER A 58 24.033 -5.195 12.780 1.00 0.00 H new ATOM 0 HB2 SER A 58 21.346 -5.629 11.490 1.00 0.00 H new ATOM 0 HB3 SER A 58 21.877 -6.041 13.108 1.00 0.00 H new ATOM 0 HG SER A 58 20.450 -4.214 13.090 1.00 0.00 H new ATOM 851 N LEU A 59 24.900 -6.801 11.102 1.00 0.00 N ATOM 852 CA LEU A 59 25.364 -7.843 10.196 1.00 0.00 C ATOM 853 C LEU A 59 24.804 -9.198 10.610 1.00 0.00 C ATOM 854 O LEU A 59 24.598 -9.457 11.794 1.00 0.00 O ATOM 855 CB LEU A 59 26.896 -7.889 10.162 1.00 0.00 C ATOM 856 CG LEU A 59 27.602 -7.132 11.291 1.00 0.00 C ATOM 857 CD1 LEU A 59 28.938 -7.785 11.610 1.00 0.00 C ATOM 858 CD2 LEU A 59 27.797 -5.672 10.919 1.00 0.00 C ATOM 0 H LEU A 59 25.515 -6.626 11.897 1.00 0.00 H new ATOM 0 HA LEU A 59 25.004 -7.608 9.194 1.00 0.00 H new ATOM 0 HB2 LEU A 59 27.212 -8.932 10.194 1.00 0.00 H new ATOM 0 HB3 LEU A 59 27.234 -7.483 9.209 1.00 0.00 H new ATOM 0 HG LEU A 59 26.973 -7.175 12.180 1.00 0.00 H new ATOM 0 HD11 LEU A 59 29.428 -7.236 12.414 1.00 0.00 H new ATOM 0 HD12 LEU A 59 28.774 -8.816 11.922 1.00 0.00 H new ATOM 0 HD13 LEU A 59 29.571 -7.771 10.723 1.00 0.00 H new ATOM 0 HD21 LEU A 59 28.300 -5.153 11.735 1.00 0.00 H new ATOM 0 HD22 LEU A 59 28.404 -5.604 10.016 1.00 0.00 H new ATOM 0 HD23 LEU A 59 26.826 -5.210 10.739 1.00 0.00 H new ATOM 870 N PHE A 60 24.549 -10.056 9.627 1.00 0.00 N ATOM 871 CA PHE A 60 24.005 -11.383 9.895 1.00 0.00 C ATOM 872 C PHE A 60 24.748 -12.454 9.106 1.00 0.00 C ATOM 873 O PHE A 60 24.817 -12.401 7.878 1.00 0.00 O ATOM 874 CB PHE A 60 22.514 -11.423 9.549 1.00 0.00 C ATOM 875 CG PHE A 60 21.716 -10.329 10.198 1.00 0.00 C ATOM 876 CD1 PHE A 60 21.359 -10.412 11.533 1.00 0.00 C ATOM 877 CD2 PHE A 60 21.324 -9.216 9.471 1.00 0.00 C ATOM 878 CE1 PHE A 60 20.628 -9.405 12.133 1.00 0.00 C ATOM 879 CE2 PHE A 60 20.591 -8.206 10.066 1.00 0.00 C ATOM 880 CZ PHE A 60 20.243 -8.301 11.399 1.00 0.00 C ATOM 0 H PHE A 60 24.710 -9.857 8.640 1.00 0.00 H new ATOM 0 HA PHE A 60 24.135 -11.590 10.957 1.00 0.00 H new ATOM 0 HB2 PHE A 60 22.399 -11.353 8.467 1.00 0.00 H new ATOM 0 HB3 PHE A 60 22.105 -12.387 9.851 1.00 0.00 H new ATOM 0 HD1 PHE A 60 21.655 -11.274 12.112 1.00 0.00 H new ATOM 0 HD2 PHE A 60 21.594 -9.137 8.428 1.00 0.00 H new ATOM 0 HE1 PHE A 60 20.358 -9.481 13.176 1.00 0.00 H new ATOM 0 HE2 PHE A 60 20.291 -7.344 9.489 1.00 0.00 H new ATOM 0 HZ PHE A 60 19.671 -7.513 11.866 1.00 0.00 H new ATOM 890 N ALA A 61 25.301 -13.430 9.820 1.00 0.00 N ATOM 891 CA ALA A 61 26.037 -14.519 9.189 1.00 0.00 C ATOM 892 C ALA A 61 25.089 -15.465 8.458 1.00 0.00 C ATOM 893 O ALA A 61 23.962 -15.096 8.130 1.00 0.00 O ATOM 894 CB ALA A 61 26.848 -15.277 10.229 1.00 0.00 C ATOM 0 H ALA A 61 25.253 -13.488 10.837 1.00 0.00 H new ATOM 0 HA ALA A 61 26.720 -14.091 8.455 1.00 0.00 H new ATOM 0 HB1 ALA A 61 27.393 -16.088 9.745 1.00 0.00 H new ATOM 0 HB2 ALA A 61 27.555 -14.598 10.705 1.00 0.00 H new ATOM 0 HB3 ALA A 61 26.178 -15.690 10.983 1.00 0.00 H new ATOM 900 N ASP A 62 25.552 -16.686 8.207 1.00 0.00 N ATOM 901 CA ASP A 62 24.742 -17.683 7.515 1.00 0.00 C ATOM 902 C ASP A 62 23.543 -18.093 8.365 1.00 0.00 C ATOM 903 O ASP A 62 23.623 -19.031 9.159 1.00 0.00 O ATOM 904 CB ASP A 62 25.588 -18.912 7.177 1.00 0.00 C ATOM 905 CG ASP A 62 25.946 -18.981 5.706 1.00 0.00 C ATOM 906 OD1 ASP A 62 25.068 -18.691 4.866 1.00 0.00 O ATOM 907 OD2 ASP A 62 27.105 -19.326 5.392 1.00 0.00 O ATOM 0 H ASP A 62 26.483 -17.008 8.472 1.00 0.00 H new ATOM 0 HA ASP A 62 24.374 -17.239 6.590 1.00 0.00 H new ATOM 0 HB2 ASP A 62 26.502 -18.894 7.770 1.00 0.00 H new ATOM 0 HB3 ASP A 62 25.043 -19.813 7.458 1.00 0.00 H new ATOM 912 N ASP A 63 22.432 -17.383 8.192 1.00 0.00 N ATOM 913 CA ASP A 63 21.215 -17.671 8.942 1.00 0.00 C ATOM 914 C ASP A 63 19.980 -17.222 8.168 1.00 0.00 C ATOM 915 O ASP A 63 20.060 -16.909 6.980 1.00 0.00 O ATOM 916 CB ASP A 63 21.257 -16.980 10.307 1.00 0.00 C ATOM 917 CG ASP A 63 20.588 -17.800 11.392 1.00 0.00 C ATOM 918 OD1 ASP A 63 20.885 -19.009 11.490 1.00 0.00 O ATOM 919 OD2 ASP A 63 19.769 -17.233 12.145 1.00 0.00 O ATOM 0 H ASP A 63 22.350 -16.604 7.539 1.00 0.00 H new ATOM 0 HA ASP A 63 21.155 -18.749 9.091 1.00 0.00 H new ATOM 0 HB2 ASP A 63 22.294 -16.793 10.585 1.00 0.00 H new ATOM 0 HB3 ASP A 63 20.766 -16.009 10.235 1.00 0.00 H new ATOM 924 N ALA A 64 18.838 -17.193 8.849 1.00 0.00 N ATOM 925 CA ALA A 64 17.586 -16.781 8.224 1.00 0.00 C ATOM 926 C ALA A 64 16.540 -16.421 9.274 1.00 0.00 C ATOM 927 O ALA A 64 15.360 -16.261 8.960 1.00 0.00 O ATOM 928 CB ALA A 64 17.064 -17.882 7.313 1.00 0.00 C ATOM 0 H ALA A 64 18.754 -17.450 9.833 1.00 0.00 H new ATOM 0 HA ALA A 64 17.783 -15.892 7.626 1.00 0.00 H new ATOM 0 HB1 ALA A 64 16.129 -17.561 6.853 1.00 0.00 H new ATOM 0 HB2 ALA A 64 17.799 -18.089 6.535 1.00 0.00 H new ATOM 0 HB3 ALA A 64 16.890 -18.785 7.897 1.00 0.00 H new ATOM 934 N ALA A 65 16.981 -16.296 10.522 1.00 0.00 N ATOM 935 CA ALA A 65 16.083 -15.955 11.620 1.00 0.00 C ATOM 936 C ALA A 65 15.724 -14.473 11.594 1.00 0.00 C ATOM 937 O ALA A 65 14.867 -14.018 12.353 1.00 0.00 O ATOM 938 CB ALA A 65 16.715 -16.324 12.952 1.00 0.00 C ATOM 0 H ALA A 65 17.954 -16.426 10.798 1.00 0.00 H new ATOM 0 HA ALA A 65 15.163 -16.527 11.497 1.00 0.00 H new ATOM 0 HB1 ALA A 65 16.034 -16.064 13.762 1.00 0.00 H new ATOM 0 HB2 ALA A 65 16.915 -17.395 12.976 1.00 0.00 H new ATOM 0 HB3 ALA A 65 17.650 -15.778 13.075 1.00 0.00 H new ATOM 944 N LEU A 66 16.385 -13.723 10.717 1.00 0.00 N ATOM 945 CA LEU A 66 16.136 -12.292 10.592 1.00 0.00 C ATOM 946 C LEU A 66 14.952 -12.023 9.667 1.00 0.00 C ATOM 947 O LEU A 66 14.839 -12.622 8.598 1.00 0.00 O ATOM 948 CB LEU A 66 17.383 -11.580 10.064 1.00 0.00 C ATOM 949 CG LEU A 66 18.041 -12.242 8.851 1.00 0.00 C ATOM 950 CD1 LEU A 66 18.383 -11.200 7.797 1.00 0.00 C ATOM 951 CD2 LEU A 66 19.286 -13.008 9.271 1.00 0.00 C ATOM 0 H LEU A 66 17.097 -14.084 10.082 1.00 0.00 H new ATOM 0 HA LEU A 66 15.896 -11.903 11.582 1.00 0.00 H new ATOM 0 HB2 LEU A 66 17.114 -10.557 9.800 1.00 0.00 H new ATOM 0 HB3 LEU A 66 18.116 -11.519 10.868 1.00 0.00 H new ATOM 0 HG LEU A 66 17.334 -12.950 8.418 1.00 0.00 H new ATOM 0 HD11 LEU A 66 18.850 -11.688 6.941 1.00 0.00 H new ATOM 0 HD12 LEU A 66 17.472 -10.696 7.475 1.00 0.00 H new ATOM 0 HD13 LEU A 66 19.072 -10.469 8.219 1.00 0.00 H new ATOM 0 HD21 LEU A 66 19.740 -13.472 8.396 1.00 0.00 H new ATOM 0 HD22 LEU A 66 19.998 -12.322 9.729 1.00 0.00 H new ATOM 0 HD23 LEU A 66 19.013 -13.780 9.990 1.00 0.00 H new ATOM 963 N ARG A 67 14.075 -11.116 10.088 1.00 0.00 N ATOM 964 CA ARG A 67 12.900 -10.765 9.298 1.00 0.00 C ATOM 965 C ARG A 67 12.670 -9.256 9.306 1.00 0.00 C ATOM 966 O ARG A 67 13.196 -8.544 10.161 1.00 0.00 O ATOM 967 CB ARG A 67 11.663 -11.484 9.838 1.00 0.00 C ATOM 968 CG ARG A 67 11.487 -12.891 9.289 1.00 0.00 C ATOM 969 CD ARG A 67 11.235 -13.896 10.401 1.00 0.00 C ATOM 970 NE ARG A 67 10.065 -14.728 10.132 1.00 0.00 N ATOM 971 CZ ARG A 67 10.134 -15.972 9.668 1.00 0.00 C ATOM 972 NH1 ARG A 67 11.314 -16.528 9.423 1.00 0.00 N ATOM 973 NH2 ARG A 67 9.024 -16.663 9.449 1.00 0.00 N ATOM 0 H ARG A 67 14.156 -10.612 10.971 1.00 0.00 H new ATOM 0 HA ARG A 67 13.076 -11.082 8.270 1.00 0.00 H new ATOM 0 HB2 ARG A 67 11.727 -11.533 10.925 1.00 0.00 H new ATOM 0 HB3 ARG A 67 10.777 -10.896 9.597 1.00 0.00 H new ATOM 0 HG2 ARG A 67 10.653 -12.907 8.587 1.00 0.00 H new ATOM 0 HG3 ARG A 67 12.378 -13.179 8.732 1.00 0.00 H new ATOM 0 HD2 ARG A 67 12.112 -14.532 10.521 1.00 0.00 H new ATOM 0 HD3 ARG A 67 11.094 -13.366 11.343 1.00 0.00 H new ATOM 0 HE ARG A 67 9.142 -14.332 10.310 1.00 0.00 H new ATOM 0 HH11 ARG A 67 12.171 -16.001 9.591 1.00 0.00 H new ATOM 0 HH12 ARG A 67 11.364 -17.483 9.067 1.00 0.00 H new ATOM 0 HH21 ARG A 67 8.115 -16.240 9.636 1.00 0.00 H new ATOM 0 HH22 ARG A 67 9.079 -17.617 9.093 1.00 0.00 H new ATOM 987 N PRO A 68 11.874 -8.745 8.350 1.00 0.00 N ATOM 988 CA PRO A 68 11.575 -7.312 8.253 1.00 0.00 C ATOM 989 C PRO A 68 10.694 -6.825 9.399 1.00 0.00 C ATOM 990 O PRO A 68 10.334 -7.596 10.289 1.00 0.00 O ATOM 991 CB PRO A 68 10.832 -7.195 6.921 1.00 0.00 C ATOM 992 CG PRO A 68 10.228 -8.539 6.706 1.00 0.00 C ATOM 993 CD PRO A 68 11.200 -9.523 7.294 1.00 0.00 C ATOM 0 HA PRO A 68 12.477 -6.702 8.309 1.00 0.00 H new ATOM 0 HB2 PRO A 68 10.068 -6.419 6.961 1.00 0.00 H new ATOM 0 HB3 PRO A 68 11.511 -6.932 6.110 1.00 0.00 H new ATOM 0 HG2 PRO A 68 9.255 -8.613 7.192 1.00 0.00 H new ATOM 0 HG3 PRO A 68 10.070 -8.732 5.645 1.00 0.00 H new ATOM 0 HD2 PRO A 68 10.691 -10.397 7.701 1.00 0.00 H new ATOM 0 HD3 PRO A 68 11.907 -9.885 6.548 1.00 0.00 H new ATOM 1001 N THR A 69 10.349 -5.541 9.371 1.00 0.00 N ATOM 1002 CA THR A 69 9.509 -4.953 10.409 1.00 0.00 C ATOM 1003 C THR A 69 8.913 -3.626 9.952 1.00 0.00 C ATOM 1004 O THR A 69 7.720 -3.378 10.124 1.00 0.00 O ATOM 1005 CB THR A 69 10.299 -4.726 11.712 1.00 0.00 C ATOM 1006 OG1 THR A 69 9.564 -3.862 12.587 1.00 0.00 O ATOM 1007 CG2 THR A 69 11.664 -4.120 11.422 1.00 0.00 C ATOM 0 H THR A 69 10.638 -4.889 8.642 1.00 0.00 H new ATOM 0 HA THR A 69 8.704 -5.662 10.600 1.00 0.00 H new ATOM 0 HB THR A 69 10.445 -5.693 12.194 1.00 0.00 H new ATOM 0 HG1 THR A 69 10.072 -3.724 13.413 1.00 0.00 H new ATOM 0 HG21 THR A 69 12.202 -3.970 12.358 1.00 0.00 H new ATOM 0 HG22 THR A 69 12.233 -4.794 10.781 1.00 0.00 H new ATOM 0 HG23 THR A 69 11.537 -3.162 10.919 1.00 0.00 H new ATOM 1015 N LYS A 70 9.754 -2.777 9.373 1.00 0.00 N ATOM 1016 CA LYS A 70 9.315 -1.472 8.891 1.00 0.00 C ATOM 1017 C LYS A 70 10.351 -0.859 7.955 1.00 0.00 C ATOM 1018 O LYS A 70 11.213 -1.561 7.425 1.00 0.00 O ATOM 1019 CB LYS A 70 9.054 -0.532 10.071 1.00 0.00 C ATOM 1020 CG LYS A 70 10.181 -0.508 11.091 1.00 0.00 C ATOM 1021 CD LYS A 70 9.776 0.243 12.350 1.00 0.00 C ATOM 1022 CE LYS A 70 9.277 -0.705 13.427 1.00 0.00 C ATOM 1023 NZ LYS A 70 10.067 -0.584 14.684 1.00 0.00 N ATOM 0 H LYS A 70 10.745 -2.969 9.226 1.00 0.00 H new ATOM 0 HA LYS A 70 8.389 -1.611 8.334 1.00 0.00 H new ATOM 0 HB2 LYS A 70 8.896 0.478 9.692 1.00 0.00 H new ATOM 0 HB3 LYS A 70 8.132 -0.834 10.568 1.00 0.00 H new ATOM 0 HG2 LYS A 70 10.461 -1.529 11.349 1.00 0.00 H new ATOM 0 HG3 LYS A 70 11.061 -0.037 10.652 1.00 0.00 H new ATOM 0 HD2 LYS A 70 10.628 0.808 12.728 1.00 0.00 H new ATOM 0 HD3 LYS A 70 8.996 0.965 12.109 1.00 0.00 H new ATOM 0 HE2 LYS A 70 8.228 -0.496 13.636 1.00 0.00 H new ATOM 0 HE3 LYS A 70 9.331 -1.730 13.061 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 9.695 -1.247 15.393 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 11.064 -0.808 14.490 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 9.995 0.388 15.047 1.00 0.00 H new ATOM 1037 N SER A 71 10.262 0.452 7.755 1.00 0.00 N ATOM 1038 CA SER A 71 11.192 1.158 6.881 1.00 0.00 C ATOM 1039 C SER A 71 12.191 1.976 7.694 1.00 0.00 C ATOM 1040 O SER A 71 13.326 1.550 7.910 1.00 0.00 O ATOM 1041 CB SER A 71 10.429 2.072 5.919 1.00 0.00 C ATOM 1042 OG SER A 71 9.030 1.879 6.035 1.00 0.00 O ATOM 0 H SER A 71 9.555 1.047 8.187 1.00 0.00 H new ATOM 0 HA SER A 71 11.743 0.415 6.305 1.00 0.00 H new ATOM 0 HB2 SER A 71 10.674 3.113 6.129 1.00 0.00 H new ATOM 0 HB3 SER A 71 10.743 1.871 4.895 1.00 0.00 H new ATOM 0 HG SER A 71 8.565 2.475 5.412 1.00 0.00 H new ATOM 1048 N ASP A 72 11.757 3.150 8.142 1.00 0.00 N ATOM 1049 CA ASP A 72 12.605 4.034 8.933 1.00 0.00 C ATOM 1050 C ASP A 72 13.896 4.366 8.186 1.00 0.00 C ATOM 1051 O ASP A 72 14.928 4.645 8.797 1.00 0.00 O ATOM 1052 CB ASP A 72 12.919 3.385 10.282 1.00 0.00 C ATOM 1053 CG ASP A 72 13.667 4.314 11.219 1.00 0.00 C ATOM 1054 OD1 ASP A 72 13.171 5.434 11.464 1.00 0.00 O ATOM 1055 OD2 ASP A 72 14.748 3.921 11.706 1.00 0.00 O ATOM 0 H ASP A 72 10.819 3.512 7.970 1.00 0.00 H new ATOM 0 HA ASP A 72 12.068 4.967 9.104 1.00 0.00 H new ATOM 0 HB2 ASP A 72 11.988 3.071 10.755 1.00 0.00 H new ATOM 0 HB3 ASP A 72 13.513 2.486 10.118 1.00 0.00 H new ATOM 1060 N GLY A 73 13.827 4.337 6.859 1.00 0.00 N ATOM 1061 CA GLY A 73 14.993 4.640 6.046 1.00 0.00 C ATOM 1062 C GLY A 73 16.118 3.642 6.244 1.00 0.00 C ATOM 1063 O GLY A 73 17.289 3.975 6.063 1.00 0.00 O ATOM 0 H GLY A 73 12.985 4.109 6.331 1.00 0.00 H new ATOM 0 HA2 GLY A 73 14.705 4.653 4.995 1.00 0.00 H new ATOM 0 HA3 GLY A 73 15.352 5.640 6.291 1.00 0.00 H new ATOM 1067 N ALA A 74 15.763 2.417 6.616 1.00 0.00 N ATOM 1068 CA ALA A 74 16.750 1.367 6.836 1.00 0.00 C ATOM 1069 C ALA A 74 17.360 0.903 5.519 1.00 0.00 C ATOM 1070 O ALA A 74 16.644 0.633 4.554 1.00 0.00 O ATOM 1071 CB ALA A 74 16.120 0.194 7.570 1.00 0.00 C ATOM 0 H ALA A 74 14.798 2.127 6.772 1.00 0.00 H new ATOM 0 HA ALA A 74 17.550 1.779 7.452 1.00 0.00 H new ATOM 0 HB1 ALA A 74 16.869 -0.582 7.727 1.00 0.00 H new ATOM 0 HB2 ALA A 74 15.739 0.530 8.534 1.00 0.00 H new ATOM 0 HB3 ALA A 74 15.300 -0.209 6.976 1.00 0.00 H new ATOM 1077 N VAL A 75 18.685 0.813 5.483 1.00 0.00 N ATOM 1078 CA VAL A 75 19.391 0.381 4.280 1.00 0.00 C ATOM 1079 C VAL A 75 20.118 -0.940 4.513 1.00 0.00 C ATOM 1080 O VAL A 75 21.148 -0.983 5.185 1.00 0.00 O ATOM 1081 CB VAL A 75 20.411 1.436 3.806 1.00 0.00 C ATOM 1082 CG1 VAL A 75 20.126 1.845 2.369 1.00 0.00 C ATOM 1083 CG2 VAL A 75 20.401 2.651 4.724 1.00 0.00 C ATOM 0 H VAL A 75 19.293 1.033 6.272 1.00 0.00 H new ATOM 0 HA VAL A 75 18.634 0.249 3.506 1.00 0.00 H new ATOM 0 HB VAL A 75 21.405 0.991 3.846 1.00 0.00 H new ATOM 0 HG11 VAL A 75 20.855 2.590 2.051 1.00 0.00 H new ATOM 0 HG12 VAL A 75 20.194 0.971 1.721 1.00 0.00 H new ATOM 0 HG13 VAL A 75 19.123 2.268 2.303 1.00 0.00 H new ATOM 0 HG21 VAL A 75 21.129 3.381 4.369 1.00 0.00 H new ATOM 0 HG22 VAL A 75 19.407 3.099 4.724 1.00 0.00 H new ATOM 0 HG23 VAL A 75 20.660 2.344 5.737 1.00 0.00 H new ATOM 1093 N SER A 76 19.573 -2.016 3.952 1.00 0.00 N ATOM 1094 CA SER A 76 20.170 -3.339 4.096 1.00 0.00 C ATOM 1095 C SER A 76 20.875 -3.759 2.810 1.00 0.00 C ATOM 1096 O SER A 76 20.738 -3.107 1.774 1.00 0.00 O ATOM 1097 CB SER A 76 19.099 -4.367 4.465 1.00 0.00 C ATOM 1098 OG SER A 76 17.810 -3.924 4.079 1.00 0.00 O ATOM 0 H SER A 76 18.719 -1.997 3.394 1.00 0.00 H new ATOM 0 HA SER A 76 20.909 -3.293 4.896 1.00 0.00 H new ATOM 0 HB2 SER A 76 19.321 -5.317 3.979 1.00 0.00 H new ATOM 0 HB3 SER A 76 19.118 -4.546 5.540 1.00 0.00 H new ATOM 0 HG SER A 76 17.287 -3.703 4.878 1.00 0.00 H new ATOM 1104 N GLY A 77 21.628 -4.852 2.884 1.00 0.00 N ATOM 1105 CA GLY A 77 22.343 -5.340 1.719 1.00 0.00 C ATOM 1106 C GLY A 77 22.488 -6.848 1.715 1.00 0.00 C ATOM 1107 O GLY A 77 22.070 -7.522 2.658 1.00 0.00 O ATOM 0 H GLY A 77 21.756 -5.408 3.729 1.00 0.00 H new ATOM 0 HA2 GLY A 77 21.817 -5.027 0.817 1.00 0.00 H new ATOM 0 HA3 GLY A 77 23.332 -4.883 1.686 1.00 0.00 H new