USER MOD reduce.3.24.130724 H: found=0, std=0, add=440, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 442 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 25 LYS NZ :NH3+ 173:sc= 0.0605 (180deg=-0.31) USER MOD Single : A 26 THR OG1 : rot 180:sc= 0.14 USER MOD Single : A 27 GLN : amide:sc= -0.0616 X(o=-0.062,f=-0.5) USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 ASN : amide:sc= -0.225 X(o=-0.22,f=-0.48) USER MOD Single : A 44 SER OG : rot -129:sc= 1.2 USER MOD Single : A 58 MET CE :methyl -160:sc= -4.37! (180deg=-5.36!) USER MOD Single : A 59 THR OG1 : rot 128:sc= 0.651 USER MOD Single : A 64 THR OG1 : rot 82:sc= 0.122 USER MOD Single : A 73 ASN : amide:sc= 0 X(o=0,f=-0.29) USER MOD Single : A 74 ASN : amide:sc= -0.414 X(o=-0.41,f=-0.87) USER MOD Single : A 75 THR OG1 : rot -66:sc= 1.09 USER MOD Single : A 80 TYR OH : rot 180:sc= 0 USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 88 TYR OH : rot -39:sc= -0.198 USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 350 N LYS A 25 -5.088 2.175 1.937 1.00 0.00 N ATOM 351 CA LYS A 25 -3.928 2.918 1.461 1.00 0.00 C ATOM 352 C LYS A 25 -3.698 4.163 2.311 1.00 0.00 C ATOM 353 O LYS A 25 -2.574 4.648 2.429 1.00 0.00 O ATOM 354 CB LYS A 25 -4.115 3.313 -0.005 1.00 0.00 C ATOM 355 CG LYS A 25 -2.848 3.841 -0.659 1.00 0.00 C ATOM 356 CD LYS A 25 -3.141 5.015 -1.577 1.00 0.00 C ATOM 357 CE LYS A 25 -2.849 6.342 -0.895 1.00 0.00 C ATOM 358 NZ LYS A 25 -1.390 6.638 -0.856 1.00 0.00 N ATOM 0 HA LYS A 25 -3.053 2.274 1.546 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -4.469 2.447 -0.564 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -4.893 4.074 -0.071 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -2.141 4.148 0.111 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -2.372 3.043 -1.229 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -2.539 4.930 -2.482 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -4.186 4.985 -1.885 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -3.368 7.143 -1.422 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -3.243 6.322 0.121 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -1.241 7.601 -0.492 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -0.914 5.955 -0.233 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -0.995 6.566 -1.815 1.00 0.00 H new ATOM 372 N THR A 26 -4.775 4.677 2.903 1.00 0.00 N ATOM 373 CA THR A 26 -4.689 5.867 3.740 1.00 0.00 C ATOM 374 C THR A 26 -3.920 5.573 5.020 1.00 0.00 C ATOM 375 O THR A 26 -3.271 6.456 5.579 1.00 0.00 O ATOM 376 CB THR A 26 -6.083 6.412 4.060 1.00 0.00 C ATOM 377 OG1 THR A 26 -7.086 5.483 3.695 1.00 0.00 O ATOM 378 CG2 THR A 26 -6.382 7.716 3.348 1.00 0.00 C ATOM 0 H THR A 26 -5.714 4.287 2.817 1.00 0.00 H new ATOM 0 HA THR A 26 -4.146 6.631 3.184 1.00 0.00 H new ATOM 0 HB THR A 26 -6.088 6.587 5.136 1.00 0.00 H new ATOM 0 HG1 THR A 26 -7.968 5.852 3.910 1.00 0.00 H new ATOM 0 HG21 THR A 26 -7.384 8.054 3.613 1.00 0.00 H new ATOM 0 HG22 THR A 26 -5.654 8.469 3.648 1.00 0.00 H new ATOM 0 HG23 THR A 26 -6.324 7.564 2.270 1.00 0.00 H new ATOM 386 N GLN A 27 -3.969 4.326 5.471 1.00 0.00 N ATOM 387 CA GLN A 27 -3.241 3.934 6.670 1.00 0.00 C ATOM 388 C GLN A 27 -1.749 4.200 6.479 1.00 0.00 C ATOM 389 O GLN A 27 -1.005 4.374 7.443 1.00 0.00 O ATOM 390 CB GLN A 27 -3.478 2.454 6.981 1.00 0.00 C ATOM 391 CG GLN A 27 -4.928 2.121 7.289 1.00 0.00 C ATOM 392 CD GLN A 27 -5.219 2.104 8.777 1.00 0.00 C ATOM 393 OE1 GLN A 27 -4.460 1.534 9.564 1.00 0.00 O ATOM 394 NE2 GLN A 27 -6.321 2.728 9.173 1.00 0.00 N ATOM 0 H GLN A 27 -4.500 3.575 5.029 1.00 0.00 H new ATOM 0 HA GLN A 27 -3.604 4.525 7.511 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -3.149 1.856 6.131 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -2.860 2.167 7.831 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -5.576 2.852 6.804 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -5.172 1.147 6.864 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -6.921 3.187 8.488 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -6.568 2.749 10.162 1.00 0.00 H new ATOM 403 N LEU A 28 -1.330 4.234 5.215 1.00 0.00 N ATOM 404 CA LEU A 28 0.062 4.484 4.861 1.00 0.00 C ATOM 405 C LEU A 28 0.341 5.973 4.723 1.00 0.00 C ATOM 406 O LEU A 28 1.489 6.407 4.630 1.00 0.00 O ATOM 407 CB LEU A 28 0.393 3.777 3.554 1.00 0.00 C ATOM 408 CG LEU A 28 1.867 3.824 3.142 1.00 0.00 C ATOM 409 CD1 LEU A 28 2.346 2.447 2.708 1.00 0.00 C ATOM 410 CD2 LEU A 28 2.079 4.842 2.029 1.00 0.00 C ATOM 0 H LEU A 28 -1.944 4.090 4.413 1.00 0.00 H new ATOM 0 HA LEU A 28 0.690 4.095 5.662 1.00 0.00 H new ATOM 0 HB2 LEU A 28 0.089 2.734 3.637 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -0.204 4.221 2.758 1.00 0.00 H new ATOM 0 HG LEU A 28 2.455 4.133 4.006 1.00 0.00 H new ATOM 0 HD11 LEU A 28 3.396 2.501 2.419 1.00 0.00 H new ATOM 0 HD12 LEU A 28 2.233 1.745 3.534 1.00 0.00 H new ATOM 0 HD13 LEU A 28 1.753 2.106 1.859 1.00 0.00 H new ATOM 0 HD21 LEU A 28 3.132 4.861 1.749 1.00 0.00 H new ATOM 0 HD22 LEU A 28 1.479 4.564 1.163 1.00 0.00 H new ATOM 0 HD23 LEU A 28 1.778 5.830 2.377 1.00 0.00 H new ATOM 422 N ILE A 29 -0.728 6.733 4.708 1.00 0.00 N ATOM 423 CA ILE A 29 -0.661 8.188 4.579 1.00 0.00 C ATOM 424 C ILE A 29 -0.033 8.835 5.793 1.00 0.00 C ATOM 425 O ILE A 29 0.345 10.008 5.783 1.00 0.00 O ATOM 426 CB ILE A 29 -2.058 8.780 4.362 1.00 0.00 C ATOM 427 CG1 ILE A 29 -2.666 8.240 3.073 1.00 0.00 C ATOM 428 CG2 ILE A 29 -2.018 10.305 4.352 1.00 0.00 C ATOM 429 CD1 ILE A 29 -2.144 8.889 1.819 1.00 0.00 C ATOM 0 H ILE A 29 -1.677 6.368 4.785 1.00 0.00 H new ATOM 0 HA ILE A 29 -0.034 8.397 3.712 1.00 0.00 H new ATOM 0 HB ILE A 29 -2.690 8.476 5.196 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -2.477 7.168 3.018 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -3.747 8.372 3.113 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -3.024 10.694 4.196 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -1.633 10.665 5.306 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -1.368 10.647 3.547 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -2.630 8.445 0.950 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -2.357 9.958 1.847 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -1.067 8.735 1.751 1.00 0.00 H new ATOM 441 N GLU A 30 0.070 8.046 6.815 1.00 0.00 N ATOM 442 CA GLU A 30 0.653 8.471 8.082 1.00 0.00 C ATOM 443 C GLU A 30 2.170 8.537 8.008 1.00 0.00 C ATOM 444 O GLU A 30 2.845 8.840 8.993 1.00 0.00 O ATOM 445 CB GLU A 30 0.211 7.552 9.223 1.00 0.00 C ATOM 446 CG GLU A 30 -1.298 7.414 9.342 1.00 0.00 C ATOM 447 CD GLU A 30 -1.907 8.446 10.271 1.00 0.00 C ATOM 448 OE1 GLU A 30 -1.746 8.305 11.501 1.00 0.00 O ATOM 449 OE2 GLU A 30 -2.543 9.396 9.768 1.00 0.00 O ATOM 0 H GLU A 30 -0.246 7.076 6.810 1.00 0.00 H new ATOM 0 HA GLU A 30 0.286 9.477 8.286 1.00 0.00 H new ATOM 0 HB2 GLU A 30 0.647 6.564 9.073 1.00 0.00 H new ATOM 0 HB3 GLU A 30 0.608 7.936 10.163 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -1.747 7.511 8.353 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -1.540 6.415 9.706 1.00 0.00 H new ATOM 456 N ALA A 31 2.691 8.253 6.834 1.00 0.00 N ATOM 457 CA ALA A 31 4.130 8.273 6.599 1.00 0.00 C ATOM 458 C ALA A 31 4.584 9.637 6.089 1.00 0.00 C ATOM 459 O ALA A 31 5.718 10.052 6.326 1.00 0.00 O ATOM 460 CB ALA A 31 4.518 7.181 5.614 1.00 0.00 C ATOM 0 H ALA A 31 2.137 8.002 6.015 1.00 0.00 H new ATOM 0 HA ALA A 31 4.632 8.085 7.548 1.00 0.00 H new ATOM 0 HB1 ALA A 31 5.595 7.207 5.447 1.00 0.00 H new ATOM 0 HB2 ALA A 31 4.237 6.209 6.019 1.00 0.00 H new ATOM 0 HB3 ALA A 31 4.001 7.343 4.668 1.00 0.00 H new ATOM 466 N PHE A 32 3.691 10.328 5.386 1.00 0.00 N ATOM 467 CA PHE A 32 4.001 11.646 4.842 1.00 0.00 C ATOM 468 C PHE A 32 4.427 12.609 5.947 1.00 0.00 C ATOM 469 O PHE A 32 5.193 13.542 5.709 1.00 0.00 O ATOM 470 CB PHE A 32 2.789 12.211 4.099 1.00 0.00 C ATOM 471 CG PHE A 32 2.704 11.767 2.666 1.00 0.00 C ATOM 472 CD1 PHE A 32 2.374 10.459 2.350 1.00 0.00 C ATOM 473 CD2 PHE A 32 2.954 12.659 1.636 1.00 0.00 C ATOM 474 CE1 PHE A 32 2.295 10.049 1.033 1.00 0.00 C ATOM 475 CE2 PHE A 32 2.877 12.255 0.316 1.00 0.00 C ATOM 476 CZ PHE A 32 2.546 10.949 0.015 1.00 0.00 C ATOM 0 H PHE A 32 2.748 9.998 5.180 1.00 0.00 H new ATOM 0 HA PHE A 32 4.830 11.535 4.144 1.00 0.00 H new ATOM 0 HB2 PHE A 32 1.880 11.908 4.619 1.00 0.00 H new ATOM 0 HB3 PHE A 32 2.828 13.300 4.132 1.00 0.00 H new ATOM 0 HD1 PHE A 32 2.176 9.752 3.142 1.00 0.00 H new ATOM 0 HD2 PHE A 32 3.212 13.682 1.867 1.00 0.00 H new ATOM 0 HE1 PHE A 32 2.037 9.026 0.799 1.00 0.00 H new ATOM 0 HE2 PHE A 32 3.075 12.960 -0.478 1.00 0.00 H new ATOM 0 HZ PHE A 32 2.483 10.631 -1.015 1.00 0.00 H new ATOM 486 N TYR A 33 3.927 12.373 7.157 1.00 0.00 N ATOM 487 CA TYR A 33 4.258 13.220 8.298 1.00 0.00 C ATOM 488 C TYR A 33 5.380 12.603 9.127 1.00 0.00 C ATOM 489 O TYR A 33 5.374 12.682 10.355 1.00 0.00 O ATOM 490 CB TYR A 33 3.021 13.437 9.171 1.00 0.00 C ATOM 491 CG TYR A 33 1.807 13.907 8.400 1.00 0.00 C ATOM 492 CD1 TYR A 33 1.076 13.025 7.615 1.00 0.00 C ATOM 493 CD2 TYR A 33 1.394 15.232 8.458 1.00 0.00 C ATOM 494 CE1 TYR A 33 -0.033 13.450 6.909 1.00 0.00 C ATOM 495 CE2 TYR A 33 0.287 15.664 7.755 1.00 0.00 C ATOM 496 CZ TYR A 33 -0.424 14.771 6.983 1.00 0.00 C ATOM 497 OH TYR A 33 -1.528 15.197 6.282 1.00 0.00 O ATOM 0 H TYR A 33 3.293 11.604 7.372 1.00 0.00 H new ATOM 0 HA TYR A 33 4.601 14.183 7.919 1.00 0.00 H new ATOM 0 HB2 TYR A 33 2.778 12.504 9.680 1.00 0.00 H new ATOM 0 HB3 TYR A 33 3.256 14.170 9.943 1.00 0.00 H new ATOM 0 HD1 TYR A 33 1.379 11.990 7.555 1.00 0.00 H new ATOM 0 HD2 TYR A 33 1.948 15.935 9.062 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -0.591 12.752 6.302 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -0.021 16.698 7.810 1.00 0.00 H new ATOM 0 HH TYR A 33 -1.668 16.153 6.443 1.00 0.00 H new ATOM 507 N ASN A 34 6.342 11.987 8.445 1.00 0.00 N ATOM 508 CA ASN A 34 7.470 11.356 9.119 1.00 0.00 C ATOM 509 C ASN A 34 8.504 10.870 8.108 1.00 0.00 C ATOM 510 O ASN A 34 9.115 9.818 8.286 1.00 0.00 O ATOM 511 CB ASN A 34 6.989 10.186 9.977 1.00 0.00 C ATOM 512 CG ASN A 34 7.979 9.824 11.068 1.00 0.00 C ATOM 513 OD1 ASN A 34 7.875 10.301 12.199 1.00 0.00 O ATOM 514 ND2 ASN A 34 8.945 8.977 10.734 1.00 0.00 N ATOM 0 H ASN A 34 6.362 11.912 7.428 1.00 0.00 H new ATOM 0 HA ASN A 34 7.939 12.100 9.763 1.00 0.00 H new ATOM 0 HB2 ASN A 34 6.031 10.441 10.430 1.00 0.00 H new ATOM 0 HB3 ASN A 34 6.820 9.317 9.340 1.00 0.00 H new ATOM 0 HD21 ASN A 34 9.639 8.697 11.426 1.00 0.00 H new ATOM 0 HD22 ASN A 34 8.993 8.606 9.785 1.00 0.00 H new ATOM 612 N PHE A 42 15.868 6.357 -2.872 1.00 0.00 N ATOM 613 CA PHE A 42 15.896 4.915 -2.655 1.00 0.00 C ATOM 614 C PHE A 42 16.015 4.590 -1.169 1.00 0.00 C ATOM 615 O PHE A 42 16.946 5.036 -0.498 1.00 0.00 O ATOM 616 CB PHE A 42 17.059 4.286 -3.425 1.00 0.00 C ATOM 617 CG PHE A 42 16.619 3.365 -4.528 1.00 0.00 C ATOM 618 CD1 PHE A 42 15.993 3.866 -5.659 1.00 0.00 C ATOM 619 CD2 PHE A 42 16.833 1.999 -4.434 1.00 0.00 C ATOM 620 CE1 PHE A 42 15.588 3.022 -6.675 1.00 0.00 C ATOM 621 CE2 PHE A 42 16.430 1.150 -5.449 1.00 0.00 C ATOM 622 CZ PHE A 42 15.808 1.663 -6.569 1.00 0.00 C ATOM 0 HA PHE A 42 14.959 4.498 -3.023 1.00 0.00 H new ATOM 0 HB2 PHE A 42 17.675 5.079 -3.849 1.00 0.00 H new ATOM 0 HB3 PHE A 42 17.688 3.731 -2.729 1.00 0.00 H new ATOM 0 HD1 PHE A 42 15.820 4.928 -5.747 1.00 0.00 H new ATOM 0 HD2 PHE A 42 17.319 1.593 -3.559 1.00 0.00 H new ATOM 0 HE1 PHE A 42 15.100 3.424 -7.551 1.00 0.00 H new ATOM 0 HE2 PHE A 42 16.602 0.087 -5.365 1.00 0.00 H new ATOM 0 HZ PHE A 42 15.493 1.002 -7.363 1.00 0.00 H new ATOM 632 N VAL A 43 15.067 3.809 -0.661 1.00 0.00 N ATOM 633 CA VAL A 43 15.066 3.421 0.745 1.00 0.00 C ATOM 634 C VAL A 43 15.203 1.910 0.894 1.00 0.00 C ATOM 635 O VAL A 43 14.390 1.147 0.372 1.00 0.00 O ATOM 636 CB VAL A 43 13.779 3.885 1.457 1.00 0.00 C ATOM 637 CG1 VAL A 43 12.552 3.264 0.808 1.00 0.00 C ATOM 638 CG2 VAL A 43 13.836 3.551 2.942 1.00 0.00 C ATOM 0 H VAL A 43 14.289 3.432 -1.203 1.00 0.00 H new ATOM 0 HA VAL A 43 15.922 3.909 1.211 1.00 0.00 H new ATOM 0 HB VAL A 43 13.703 4.968 1.356 1.00 0.00 H new ATOM 0 HG11 VAL A 43 11.655 3.604 1.325 1.00 0.00 H new ATOM 0 HG12 VAL A 43 12.503 3.564 -0.239 1.00 0.00 H new ATOM 0 HG13 VAL A 43 12.617 2.178 0.871 1.00 0.00 H new ATOM 0 HG21 VAL A 43 12.919 3.887 3.426 1.00 0.00 H new ATOM 0 HG22 VAL A 43 13.940 2.473 3.069 1.00 0.00 H new ATOM 0 HG23 VAL A 43 14.690 4.054 3.395 1.00 0.00 H new ATOM 648 N SER A 44 16.238 1.483 1.610 1.00 0.00 N ATOM 649 CA SER A 44 16.481 0.063 1.827 1.00 0.00 C ATOM 650 C SER A 44 15.485 -0.511 2.830 1.00 0.00 C ATOM 651 O SER A 44 14.940 0.214 3.664 1.00 0.00 O ATOM 652 CB SER A 44 17.909 -0.163 2.325 1.00 0.00 C ATOM 653 OG SER A 44 18.731 0.957 2.042 1.00 0.00 O ATOM 0 H SER A 44 16.921 2.100 2.049 1.00 0.00 H new ATOM 0 HA SER A 44 16.351 -0.451 0.875 1.00 0.00 H new ATOM 0 HB2 SER A 44 17.898 -0.348 3.399 1.00 0.00 H new ATOM 0 HB3 SER A 44 18.326 -1.053 1.853 1.00 0.00 H new ATOM 0 HG SER A 44 19.549 0.657 1.593 1.00 0.00 H new ATOM 659 N VAL A 45 15.254 -1.816 2.746 1.00 0.00 N ATOM 660 CA VAL A 45 14.327 -2.489 3.649 1.00 0.00 C ATOM 661 C VAL A 45 14.770 -2.327 5.097 1.00 0.00 C ATOM 662 O VAL A 45 13.997 -1.890 5.950 1.00 0.00 O ATOM 663 CB VAL A 45 14.217 -3.991 3.326 1.00 0.00 C ATOM 664 CG1 VAL A 45 13.203 -4.665 4.236 1.00 0.00 C ATOM 665 CG2 VAL A 45 13.849 -4.203 1.865 1.00 0.00 C ATOM 0 H VAL A 45 15.696 -2.430 2.062 1.00 0.00 H new ATOM 0 HA VAL A 45 13.351 -2.024 3.510 1.00 0.00 H new ATOM 0 HB VAL A 45 15.191 -4.447 3.503 1.00 0.00 H new ATOM 0 HG11 VAL A 45 13.142 -5.725 3.990 1.00 0.00 H new ATOM 0 HG12 VAL A 45 13.514 -4.551 5.275 1.00 0.00 H new ATOM 0 HG13 VAL A 45 12.226 -4.203 4.097 1.00 0.00 H new ATOM 0 HG21 VAL A 45 13.777 -5.271 1.659 1.00 0.00 H new ATOM 0 HG22 VAL A 45 12.890 -3.728 1.659 1.00 0.00 H new ATOM 0 HG23 VAL A 45 14.616 -3.762 1.229 1.00 0.00 H new ATOM 675 N GLU A 46 16.021 -2.684 5.367 1.00 0.00 N ATOM 676 CA GLU A 46 16.579 -2.584 6.712 1.00 0.00 C ATOM 677 C GLU A 46 16.305 -1.207 7.310 1.00 0.00 C ATOM 678 O GLU A 46 16.034 -1.080 8.505 1.00 0.00 O ATOM 679 CB GLU A 46 18.083 -2.855 6.685 1.00 0.00 C ATOM 680 CG GLU A 46 18.470 -4.052 5.829 1.00 0.00 C ATOM 681 CD GLU A 46 19.872 -4.548 6.121 1.00 0.00 C ATOM 682 OE1 GLU A 46 20.838 -3.828 5.790 1.00 0.00 O ATOM 683 OE2 GLU A 46 20.006 -5.656 6.680 1.00 0.00 O ATOM 0 H GLU A 46 16.671 -3.047 4.669 1.00 0.00 H new ATOM 0 HA GLU A 46 16.096 -3.335 7.338 1.00 0.00 H new ATOM 0 HB2 GLU A 46 18.597 -1.970 6.311 1.00 0.00 H new ATOM 0 HB3 GLU A 46 18.433 -3.019 7.704 1.00 0.00 H new ATOM 0 HG2 GLU A 46 17.760 -4.861 5.999 1.00 0.00 H new ATOM 0 HG3 GLU A 46 18.397 -3.780 4.776 1.00 0.00 H new ATOM 690 N GLU A 47 16.365 -0.182 6.468 1.00 0.00 N ATOM 691 CA GLU A 47 16.110 1.185 6.907 1.00 0.00 C ATOM 692 C GLU A 47 14.611 1.448 6.985 1.00 0.00 C ATOM 693 O GLU A 47 14.152 2.263 7.786 1.00 0.00 O ATOM 694 CB GLU A 47 16.766 2.181 5.948 1.00 0.00 C ATOM 695 CG GLU A 47 17.174 3.486 6.613 1.00 0.00 C ATOM 696 CD GLU A 47 18.173 3.282 7.734 1.00 0.00 C ATOM 697 OE1 GLU A 47 18.975 2.328 7.648 1.00 0.00 O ATOM 698 OE2 GLU A 47 18.156 4.077 8.697 1.00 0.00 O ATOM 0 H GLU A 47 16.588 -0.272 5.477 1.00 0.00 H new ATOM 0 HA GLU A 47 16.541 1.314 7.900 1.00 0.00 H new ATOM 0 HB2 GLU A 47 17.647 1.718 5.503 1.00 0.00 H new ATOM 0 HB3 GLU A 47 16.075 2.398 5.134 1.00 0.00 H new ATOM 0 HG2 GLU A 47 17.604 4.152 5.865 1.00 0.00 H new ATOM 0 HG3 GLU A 47 16.287 3.981 7.008 1.00 0.00 H new ATOM 705 N PHE A 48 13.854 0.748 6.145 1.00 0.00 N ATOM 706 CA PHE A 48 12.405 0.895 6.110 1.00 0.00 C ATOM 707 C PHE A 48 11.770 0.298 7.362 1.00 0.00 C ATOM 708 O PHE A 48 10.828 0.861 7.921 1.00 0.00 O ATOM 709 CB PHE A 48 11.841 0.213 4.861 1.00 0.00 C ATOM 710 CG PHE A 48 10.923 1.088 4.056 1.00 0.00 C ATOM 711 CD1 PHE A 48 10.002 1.914 4.681 1.00 0.00 C ATOM 712 CD2 PHE A 48 10.981 1.082 2.672 1.00 0.00 C ATOM 713 CE1 PHE A 48 9.156 2.718 3.939 1.00 0.00 C ATOM 714 CE2 PHE A 48 10.139 1.884 1.925 1.00 0.00 C ATOM 715 CZ PHE A 48 9.225 2.703 2.560 1.00 0.00 C ATOM 0 H PHE A 48 14.223 0.071 5.477 1.00 0.00 H new ATOM 0 HA PHE A 48 12.167 1.958 6.077 1.00 0.00 H new ATOM 0 HB2 PHE A 48 12.669 -0.109 4.229 1.00 0.00 H new ATOM 0 HB3 PHE A 48 11.301 -0.685 5.161 1.00 0.00 H new ATOM 0 HD1 PHE A 48 9.944 1.930 5.759 1.00 0.00 H new ATOM 0 HD2 PHE A 48 11.693 0.443 2.171 1.00 0.00 H new ATOM 0 HE1 PHE A 48 8.442 3.357 4.438 1.00 0.00 H new ATOM 0 HE2 PHE A 48 10.195 1.871 0.847 1.00 0.00 H new ATOM 0 HZ PHE A 48 8.566 3.330 1.979 1.00 0.00 H new ATOM 725 N ARG A 49 12.291 -0.844 7.799 1.00 0.00 N ATOM 726 CA ARG A 49 11.777 -1.518 8.986 1.00 0.00 C ATOM 727 C ARG A 49 11.826 -0.596 10.201 1.00 0.00 C ATOM 728 O ARG A 49 10.826 -0.411 10.893 1.00 0.00 O ATOM 729 CB ARG A 49 12.578 -2.790 9.265 1.00 0.00 C ATOM 730 CG ARG A 49 12.272 -3.927 8.304 1.00 0.00 C ATOM 731 CD ARG A 49 12.855 -5.243 8.793 1.00 0.00 C ATOM 732 NE ARG A 49 14.240 -5.098 9.233 1.00 0.00 N ATOM 733 CZ ARG A 49 14.863 -5.971 10.021 1.00 0.00 C ATOM 734 NH1 ARG A 49 14.230 -7.054 10.456 1.00 0.00 N ATOM 735 NH2 ARG A 49 16.124 -5.763 10.375 1.00 0.00 N ATOM 0 H ARG A 49 13.070 -1.323 7.348 1.00 0.00 H new ATOM 0 HA ARG A 49 10.737 -1.786 8.797 1.00 0.00 H new ATOM 0 HB2 ARG A 49 13.642 -2.558 9.213 1.00 0.00 H new ATOM 0 HB3 ARG A 49 12.374 -3.122 10.283 1.00 0.00 H new ATOM 0 HG2 ARG A 49 11.193 -4.027 8.189 1.00 0.00 H new ATOM 0 HG3 ARG A 49 12.677 -3.692 7.320 1.00 0.00 H new ATOM 0 HD2 ARG A 49 12.251 -5.623 9.617 1.00 0.00 H new ATOM 0 HD3 ARG A 49 12.804 -5.982 7.993 1.00 0.00 H new ATOM 0 HE ARG A 49 14.761 -4.279 8.918 1.00 0.00 H new ATOM 0 HH11 ARG A 49 13.261 -7.221 10.186 1.00 0.00 H new ATOM 0 HH12 ARG A 49 14.713 -7.719 11.060 1.00 0.00 H new ATOM 0 HH21 ARG A 49 16.617 -4.934 10.043 1.00 0.00 H new ATOM 0 HH22 ARG A 49 16.601 -6.432 10.979 1.00 0.00 H new ATOM 749 N GLY A 50 12.996 -0.014 10.449 1.00 0.00 N ATOM 750 CA GLY A 50 13.152 0.885 11.578 1.00 0.00 C ATOM 751 C GLY A 50 12.129 2.006 11.568 1.00 0.00 C ATOM 752 O GLY A 50 11.794 2.560 12.615 1.00 0.00 O ATOM 0 H GLY A 50 13.838 -0.149 9.889 1.00 0.00 H new ATOM 0 HA2 GLY A 50 13.059 0.320 12.505 1.00 0.00 H new ATOM 0 HA3 GLY A 50 14.155 1.311 11.564 1.00 0.00 H new ATOM 756 N ILE A 51 11.630 2.335 10.381 1.00 0.00 N ATOM 757 CA ILE A 51 10.637 3.391 10.234 1.00 0.00 C ATOM 758 C ILE A 51 9.224 2.830 10.362 1.00 0.00 C ATOM 759 O ILE A 51 8.371 3.415 11.028 1.00 0.00 O ATOM 760 CB ILE A 51 10.776 4.107 8.876 1.00 0.00 C ATOM 761 CG1 ILE A 51 12.220 4.562 8.660 1.00 0.00 C ATOM 762 CG2 ILE A 51 9.824 5.292 8.799 1.00 0.00 C ATOM 763 CD1 ILE A 51 12.576 4.768 7.205 1.00 0.00 C ATOM 0 H ILE A 51 11.898 1.884 9.506 1.00 0.00 H new ATOM 0 HA ILE A 51 10.814 4.111 11.033 1.00 0.00 H new ATOM 0 HB ILE A 51 10.514 3.405 8.085 1.00 0.00 H new ATOM 0 HG12 ILE A 51 12.384 5.494 9.201 1.00 0.00 H new ATOM 0 HG13 ILE A 51 12.894 3.821 9.089 1.00 0.00 H new ATOM 0 HG21 ILE A 51 9.935 5.786 7.834 1.00 0.00 H new ATOM 0 HG22 ILE A 51 8.798 4.942 8.911 1.00 0.00 H new ATOM 0 HG23 ILE A 51 10.056 5.998 9.597 1.00 0.00 H new ATOM 0 HD11 ILE A 51 13.614 5.090 7.127 1.00 0.00 H new ATOM 0 HD12 ILE A 51 12.444 3.832 6.662 1.00 0.00 H new ATOM 0 HD13 ILE A 51 11.926 5.531 6.776 1.00 0.00 H new ATOM 775 N ILE A 52 8.986 1.692 9.719 1.00 0.00 N ATOM 776 CA ILE A 52 7.679 1.049 9.758 1.00 0.00 C ATOM 777 C ILE A 52 7.395 0.457 11.138 1.00 0.00 C ATOM 778 O ILE A 52 6.239 0.322 11.539 1.00 0.00 O ATOM 779 CB ILE A 52 7.571 -0.065 8.696 1.00 0.00 C ATOM 780 CG1 ILE A 52 7.764 0.519 7.296 1.00 0.00 C ATOM 781 CG2 ILE A 52 6.229 -0.778 8.797 1.00 0.00 C ATOM 782 CD1 ILE A 52 6.656 1.462 6.878 1.00 0.00 C ATOM 0 H ILE A 52 9.683 1.196 9.164 1.00 0.00 H new ATOM 0 HA ILE A 52 6.939 1.820 9.541 1.00 0.00 H new ATOM 0 HB ILE A 52 8.358 -0.796 8.881 1.00 0.00 H new ATOM 0 HG12 ILE A 52 8.715 1.050 7.260 1.00 0.00 H new ATOM 0 HG13 ILE A 52 7.827 -0.297 6.576 1.00 0.00 H new ATOM 0 HG21 ILE A 52 6.174 -1.559 8.039 1.00 0.00 H new ATOM 0 HG22 ILE A 52 6.128 -1.224 9.786 1.00 0.00 H new ATOM 0 HG23 ILE A 52 5.423 -0.061 8.638 1.00 0.00 H new ATOM 0 HD11 ILE A 52 6.858 1.839 5.875 1.00 0.00 H new ATOM 0 HD12 ILE A 52 5.705 0.930 6.881 1.00 0.00 H new ATOM 0 HD13 ILE A 52 6.607 2.298 7.576 1.00 0.00 H new ATOM 794 N ARG A 53 8.456 0.105 11.858 1.00 0.00 N ATOM 795 CA ARG A 53 8.318 -0.474 13.192 1.00 0.00 C ATOM 796 C ARG A 53 7.416 0.386 14.074 1.00 0.00 C ATOM 797 O ARG A 53 6.379 -0.073 14.552 1.00 0.00 O ATOM 798 CB ARG A 53 9.694 -0.634 13.843 1.00 0.00 C ATOM 799 CG ARG A 53 10.108 -2.083 14.042 1.00 0.00 C ATOM 800 CD ARG A 53 10.739 -2.659 12.786 1.00 0.00 C ATOM 801 NE ARG A 53 9.744 -2.939 11.752 1.00 0.00 N ATOM 802 CZ ARG A 53 8.949 -4.006 11.757 1.00 0.00 C ATOM 803 NH1 ARG A 53 9.029 -4.897 12.737 1.00 0.00 N ATOM 804 NH2 ARG A 53 8.072 -4.183 10.778 1.00 0.00 N ATOM 0 H ARG A 53 9.420 0.210 11.541 1.00 0.00 H new ATOM 0 HA ARG A 53 7.856 -1.456 13.089 1.00 0.00 H new ATOM 0 HB2 ARG A 53 10.439 -0.133 13.225 1.00 0.00 H new ATOM 0 HB3 ARG A 53 9.690 -0.130 14.809 1.00 0.00 H new ATOM 0 HG2 ARG A 53 10.815 -2.150 14.869 1.00 0.00 H new ATOM 0 HG3 ARG A 53 9.237 -2.677 14.318 1.00 0.00 H new ATOM 0 HD2 ARG A 53 11.478 -1.958 12.398 1.00 0.00 H new ATOM 0 HD3 ARG A 53 11.271 -3.577 13.036 1.00 0.00 H new ATOM 0 HE ARG A 53 9.654 -2.277 10.981 1.00 0.00 H new ATOM 0 HH11 ARG A 53 9.702 -4.766 13.492 1.00 0.00 H new ATOM 0 HH12 ARG A 53 8.417 -5.713 12.736 1.00 0.00 H new ATOM 0 HH21 ARG A 53 8.007 -3.501 10.022 1.00 0.00 H new ATOM 0 HH22 ARG A 53 7.462 -5.001 10.781 1.00 0.00 H new ATOM 818 N ASP A 54 7.819 1.635 14.284 1.00 0.00 N ATOM 819 CA ASP A 54 7.049 2.557 15.110 1.00 0.00 C ATOM 820 C ASP A 54 6.445 3.684 14.271 1.00 0.00 C ATOM 821 O ASP A 54 6.003 4.698 14.810 1.00 0.00 O ATOM 822 CB ASP A 54 7.933 3.147 16.210 1.00 0.00 C ATOM 823 CG ASP A 54 8.330 2.116 17.247 1.00 0.00 C ATOM 824 OD1 ASP A 54 8.657 0.976 16.858 1.00 0.00 O ATOM 825 OD2 ASP A 54 8.312 2.448 18.452 1.00 0.00 O ATOM 0 H ASP A 54 8.674 2.031 13.894 1.00 0.00 H new ATOM 0 HA ASP A 54 6.233 1.995 15.564 1.00 0.00 H new ATOM 0 HB2 ASP A 54 8.831 3.572 15.762 1.00 0.00 H new ATOM 0 HB3 ASP A 54 7.403 3.965 16.699 1.00 0.00 H new ATOM 830 N GLY A 55 6.432 3.506 12.952 1.00 0.00 N ATOM 831 CA GLY A 55 5.882 4.524 12.076 1.00 0.00 C ATOM 832 C GLY A 55 4.489 4.185 11.586 1.00 0.00 C ATOM 833 O GLY A 55 3.495 4.588 12.190 1.00 0.00 O ATOM 0 H GLY A 55 6.791 2.678 12.477 1.00 0.00 H new ATOM 0 HA2 GLY A 55 5.854 5.476 12.605 1.00 0.00 H new ATOM 0 HA3 GLY A 55 6.542 4.655 11.219 1.00 0.00 H new ATOM 837 N LEU A 56 4.415 3.447 10.483 1.00 0.00 N ATOM 838 CA LEU A 56 3.134 3.057 9.909 1.00 0.00 C ATOM 839 C LEU A 56 2.666 1.714 10.467 1.00 0.00 C ATOM 840 O LEU A 56 3.442 0.761 10.535 1.00 0.00 O ATOM 841 CB LEU A 56 3.238 2.976 8.385 1.00 0.00 C ATOM 842 CG LEU A 56 3.756 4.244 7.702 1.00 0.00 C ATOM 843 CD1 LEU A 56 5.255 4.146 7.459 1.00 0.00 C ATOM 844 CD2 LEU A 56 3.017 4.487 6.393 1.00 0.00 C ATOM 0 H LEU A 56 5.228 3.107 9.969 1.00 0.00 H new ATOM 0 HA LEU A 56 2.401 3.817 10.180 1.00 0.00 H new ATOM 0 HB2 LEU A 56 3.896 2.147 8.125 1.00 0.00 H new ATOM 0 HB3 LEU A 56 2.253 2.741 7.981 1.00 0.00 H new ATOM 0 HG LEU A 56 3.570 5.090 8.363 1.00 0.00 H new ATOM 0 HD11 LEU A 56 5.605 5.057 6.973 1.00 0.00 H new ATOM 0 HD12 LEU A 56 5.771 4.022 8.411 1.00 0.00 H new ATOM 0 HD13 LEU A 56 5.465 3.289 6.819 1.00 0.00 H new ATOM 0 HD21 LEU A 56 3.399 5.393 5.922 1.00 0.00 H new ATOM 0 HD22 LEU A 56 3.170 3.639 5.726 1.00 0.00 H new ATOM 0 HD23 LEU A 56 1.952 4.604 6.593 1.00 0.00 H new ATOM 856 N PRO A 57 1.388 1.618 10.875 1.00 0.00 N ATOM 857 CA PRO A 57 0.828 0.383 11.425 1.00 0.00 C ATOM 858 C PRO A 57 0.493 -0.632 10.341 1.00 0.00 C ATOM 859 O PRO A 57 -0.633 -0.675 9.842 1.00 0.00 O ATOM 860 CB PRO A 57 -0.441 0.861 12.125 1.00 0.00 C ATOM 861 CG PRO A 57 -0.873 2.051 11.339 1.00 0.00 C ATOM 862 CD PRO A 57 0.387 2.704 10.833 1.00 0.00 C ATOM 0 HA PRO A 57 1.528 -0.130 12.084 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -1.208 0.087 12.128 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -0.247 1.121 13.165 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -1.518 1.757 10.511 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -1.446 2.740 11.960 1.00 0.00 H new ATOM 0 HD2 PRO A 57 0.259 3.091 9.822 1.00 0.00 H new ATOM 0 HD3 PRO A 57 0.682 3.545 11.461 1.00 0.00 H new ATOM 870 N MET A 58 1.477 -1.446 9.980 1.00 0.00 N ATOM 871 CA MET A 58 1.291 -2.461 8.953 1.00 0.00 C ATOM 872 C MET A 58 1.667 -3.841 9.482 1.00 0.00 C ATOM 873 O MET A 58 2.640 -3.988 10.223 1.00 0.00 O ATOM 874 CB MET A 58 2.134 -2.126 7.718 1.00 0.00 C ATOM 875 CG MET A 58 1.310 -1.890 6.462 1.00 0.00 C ATOM 876 SD MET A 58 2.253 -1.074 5.157 1.00 0.00 S ATOM 877 CE MET A 58 2.856 -2.485 4.235 1.00 0.00 C ATOM 0 H MET A 58 2.413 -1.422 10.384 1.00 0.00 H new ATOM 0 HA MET A 58 0.238 -2.473 8.672 1.00 0.00 H new ATOM 0 HB2 MET A 58 2.728 -1.236 7.925 1.00 0.00 H new ATOM 0 HB3 MET A 58 2.834 -2.941 7.535 1.00 0.00 H new ATOM 0 HG2 MET A 58 0.936 -2.845 6.092 1.00 0.00 H new ATOM 0 HG3 MET A 58 0.440 -1.282 6.711 1.00 0.00 H new ATOM 0 HE1 MET A 58 3.716 -2.187 3.636 1.00 0.00 H new ATOM 0 HE2 MET A 58 3.151 -3.273 4.928 1.00 0.00 H new ATOM 0 HE3 MET A 58 2.068 -2.855 3.579 1.00 0.00 H new ATOM 887 N THR A 59 0.897 -4.849 9.092 1.00 0.00 N ATOM 888 CA THR A 59 1.154 -6.220 9.522 1.00 0.00 C ATOM 889 C THR A 59 2.304 -6.828 8.723 1.00 0.00 C ATOM 890 O THR A 59 2.504 -6.490 7.558 1.00 0.00 O ATOM 891 CB THR A 59 -0.105 -7.076 9.359 1.00 0.00 C ATOM 892 OG1 THR A 59 -1.043 -6.435 8.513 1.00 0.00 O ATOM 893 CG2 THR A 59 -0.800 -7.372 10.671 1.00 0.00 C ATOM 0 H THR A 59 0.089 -4.744 8.479 1.00 0.00 H new ATOM 0 HA THR A 59 1.433 -6.199 10.575 1.00 0.00 H new ATOM 0 HB THR A 59 0.239 -8.015 8.926 1.00 0.00 H new ATOM 0 HG1 THR A 59 -1.315 -7.051 7.801 1.00 0.00 H new ATOM 0 HG21 THR A 59 -1.684 -7.982 10.485 1.00 0.00 H new ATOM 0 HG22 THR A 59 -0.119 -7.911 11.330 1.00 0.00 H new ATOM 0 HG23 THR A 59 -1.098 -6.436 11.144 1.00 0.00 H new ATOM 901 N GLU A 60 3.053 -7.730 9.357 1.00 0.00 N ATOM 902 CA GLU A 60 4.187 -8.395 8.709 1.00 0.00 C ATOM 903 C GLU A 60 3.868 -8.718 7.259 1.00 0.00 C ATOM 904 O GLU A 60 4.616 -8.373 6.351 1.00 0.00 O ATOM 905 CB GLU A 60 4.537 -9.687 9.447 1.00 0.00 C ATOM 906 CG GLU A 60 3.323 -10.508 9.860 1.00 0.00 C ATOM 907 CD GLU A 60 3.653 -11.541 10.919 1.00 0.00 C ATOM 908 OE1 GLU A 60 4.464 -12.446 10.631 1.00 0.00 O ATOM 909 OE2 GLU A 60 3.099 -11.446 12.035 1.00 0.00 O ATOM 0 H GLU A 60 2.895 -8.019 10.322 1.00 0.00 H new ATOM 0 HA GLU A 60 5.038 -7.714 8.742 1.00 0.00 H new ATOM 0 HB2 GLU A 60 5.176 -10.297 8.809 1.00 0.00 H new ATOM 0 HB3 GLU A 60 5.117 -9.441 10.337 1.00 0.00 H new ATOM 0 HG2 GLU A 60 2.548 -9.840 10.237 1.00 0.00 H new ATOM 0 HG3 GLU A 60 2.912 -11.009 8.984 1.00 0.00 H new ATOM 916 N ALA A 61 2.742 -9.377 7.059 1.00 0.00 N ATOM 917 CA ALA A 61 2.290 -9.753 5.728 1.00 0.00 C ATOM 918 C ALA A 61 2.391 -8.578 4.764 1.00 0.00 C ATOM 919 O ALA A 61 3.000 -8.686 3.707 1.00 0.00 O ATOM 920 CB ALA A 61 0.865 -10.269 5.791 1.00 0.00 C ATOM 0 H ALA A 61 2.115 -9.667 7.810 1.00 0.00 H new ATOM 0 HA ALA A 61 2.938 -10.547 5.356 1.00 0.00 H new ATOM 0 HB1 ALA A 61 0.535 -10.548 4.791 1.00 0.00 H new ATOM 0 HB2 ALA A 61 0.822 -11.141 6.444 1.00 0.00 H new ATOM 0 HB3 ALA A 61 0.213 -9.489 6.184 1.00 0.00 H new ATOM 926 N GLU A 62 1.800 -7.448 5.137 1.00 0.00 N ATOM 927 CA GLU A 62 1.847 -6.257 4.290 1.00 0.00 C ATOM 928 C GLU A 62 3.294 -5.904 3.968 1.00 0.00 C ATOM 929 O GLU A 62 3.703 -5.912 2.810 1.00 0.00 O ATOM 930 CB GLU A 62 1.168 -5.053 4.959 1.00 0.00 C ATOM 931 CG GLU A 62 0.135 -5.416 6.010 1.00 0.00 C ATOM 932 CD GLU A 62 -0.881 -6.427 5.511 1.00 0.00 C ATOM 933 OE1 GLU A 62 -1.527 -6.157 4.478 1.00 0.00 O ATOM 934 OE2 GLU A 62 -1.026 -7.488 6.154 1.00 0.00 O ATOM 0 H GLU A 62 1.287 -7.330 6.011 1.00 0.00 H new ATOM 0 HA GLU A 62 1.305 -6.487 3.373 1.00 0.00 H new ATOM 0 HB2 GLU A 62 1.934 -4.430 5.421 1.00 0.00 H new ATOM 0 HB3 GLU A 62 0.688 -4.449 4.189 1.00 0.00 H new ATOM 0 HG2 GLU A 62 0.642 -5.819 6.887 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -0.385 -4.513 6.329 1.00 0.00 H new ATOM 941 N ILE A 63 4.060 -5.605 5.011 1.00 0.00 N ATOM 942 CA ILE A 63 5.471 -5.253 4.852 1.00 0.00 C ATOM 943 C ILE A 63 6.245 -6.376 4.174 1.00 0.00 C ATOM 944 O ILE A 63 6.801 -6.197 3.093 1.00 0.00 O ATOM 945 CB ILE A 63 6.146 -4.951 6.204 1.00 0.00 C ATOM 946 CG1 ILE A 63 5.222 -4.130 7.098 1.00 0.00 C ATOM 947 CG2 ILE A 63 7.463 -4.226 5.989 1.00 0.00 C ATOM 948 CD1 ILE A 63 4.571 -4.952 8.183 1.00 0.00 C ATOM 0 H ILE A 63 3.730 -5.599 5.976 1.00 0.00 H new ATOM 0 HA ILE A 63 5.492 -4.357 4.232 1.00 0.00 H new ATOM 0 HB ILE A 63 6.350 -5.898 6.704 1.00 0.00 H new ATOM 0 HG12 ILE A 63 5.792 -3.321 7.555 1.00 0.00 H new ATOM 0 HG13 ILE A 63 4.448 -3.668 6.485 1.00 0.00 H new ATOM 0 HG21 ILE A 63 7.927 -4.020 6.954 1.00 0.00 H new ATOM 0 HG22 ILE A 63 8.128 -4.850 5.392 1.00 0.00 H new ATOM 0 HG23 ILE A 63 7.280 -3.287 5.467 1.00 0.00 H new ATOM 0 HD11 ILE A 63 3.926 -4.313 8.786 1.00 0.00 H new ATOM 0 HD12 ILE A 63 3.976 -5.745 7.731 1.00 0.00 H new ATOM 0 HD13 ILE A 63 5.341 -5.392 8.817 1.00 0.00 H new ATOM 960 N THR A 64 6.276 -7.531 4.824 1.00 0.00 N ATOM 961 CA THR A 64 6.980 -8.699 4.306 1.00 0.00 C ATOM 962 C THR A 64 6.565 -9.006 2.873 1.00 0.00 C ATOM 963 O THR A 64 7.411 -9.155 1.990 1.00 0.00 O ATOM 964 CB THR A 64 6.692 -9.909 5.187 1.00 0.00 C ATOM 965 OG1 THR A 64 7.201 -9.714 6.493 1.00 0.00 O ATOM 966 CG2 THR A 64 7.273 -11.199 4.651 1.00 0.00 C ATOM 0 H THR A 64 5.817 -7.686 5.721 1.00 0.00 H new ATOM 0 HA THR A 64 8.047 -8.479 4.315 1.00 0.00 H new ATOM 0 HB THR A 64 5.606 -10.001 5.198 1.00 0.00 H new ATOM 0 HG1 THR A 64 6.565 -9.182 7.016 1.00 0.00 H new ATOM 0 HG21 THR A 64 7.029 -12.017 5.329 1.00 0.00 H new ATOM 0 HG22 THR A 64 6.853 -11.406 3.667 1.00 0.00 H new ATOM 0 HG23 THR A 64 8.356 -11.105 4.571 1.00 0.00 H new ATOM 974 N GLU A 65 5.258 -9.096 2.644 1.00 0.00 N ATOM 975 CA GLU A 65 4.751 -9.383 1.306 1.00 0.00 C ATOM 976 C GLU A 65 5.073 -8.246 0.364 1.00 0.00 C ATOM 977 O GLU A 65 5.010 -8.381 -0.857 1.00 0.00 O ATOM 978 CB GLU A 65 3.246 -9.635 1.327 1.00 0.00 C ATOM 979 CG GLU A 65 2.713 -10.256 0.047 1.00 0.00 C ATOM 980 CD GLU A 65 1.199 -10.330 0.022 1.00 0.00 C ATOM 981 OE1 GLU A 65 0.590 -10.407 1.112 1.00 0.00 O ATOM 982 OE2 GLU A 65 0.621 -10.313 -1.084 1.00 0.00 O ATOM 0 H GLU A 65 4.539 -8.976 3.357 1.00 0.00 H new ATOM 0 HA GLU A 65 5.243 -10.289 0.951 1.00 0.00 H new ATOM 0 HB2 GLU A 65 3.008 -10.290 2.165 1.00 0.00 H new ATOM 0 HB3 GLU A 65 2.731 -8.691 1.504 1.00 0.00 H new ATOM 0 HG2 GLU A 65 3.059 -9.673 -0.807 1.00 0.00 H new ATOM 0 HG3 GLU A 65 3.124 -11.259 -0.064 1.00 0.00 H new ATOM 989 N PHE A 66 5.431 -7.133 0.957 1.00 0.00 N ATOM 990 CA PHE A 66 5.793 -5.946 0.210 1.00 0.00 C ATOM 991 C PHE A 66 7.306 -5.862 0.048 1.00 0.00 C ATOM 992 O PHE A 66 7.807 -5.267 -0.906 1.00 0.00 O ATOM 993 CB PHE A 66 5.268 -4.685 0.903 1.00 0.00 C ATOM 994 CG PHE A 66 3.842 -4.349 0.555 1.00 0.00 C ATOM 995 CD1 PHE A 66 2.927 -5.349 0.262 1.00 0.00 C ATOM 996 CD2 PHE A 66 3.420 -3.030 0.521 1.00 0.00 C ATOM 997 CE1 PHE A 66 1.619 -5.039 -0.057 1.00 0.00 C ATOM 998 CE2 PHE A 66 2.113 -2.715 0.203 1.00 0.00 C ATOM 999 CZ PHE A 66 1.211 -3.720 -0.086 1.00 0.00 C ATOM 0 H PHE A 66 5.481 -7.021 1.970 1.00 0.00 H new ATOM 0 HA PHE A 66 5.335 -6.013 -0.777 1.00 0.00 H new ATOM 0 HB2 PHE A 66 5.348 -4.815 1.982 1.00 0.00 H new ATOM 0 HB3 PHE A 66 5.906 -3.842 0.635 1.00 0.00 H new ATOM 0 HD1 PHE A 66 3.241 -6.382 0.283 1.00 0.00 H new ATOM 0 HD2 PHE A 66 4.120 -2.239 0.746 1.00 0.00 H new ATOM 0 HE1 PHE A 66 0.916 -5.827 -0.283 1.00 0.00 H new ATOM 0 HE2 PHE A 66 1.797 -1.683 0.180 1.00 0.00 H new ATOM 0 HZ PHE A 66 0.189 -3.475 -0.334 1.00 0.00 H new ATOM 1009 N PHE A 67 8.031 -6.467 0.988 1.00 0.00 N ATOM 1010 CA PHE A 67 9.490 -6.464 0.950 1.00 0.00 C ATOM 1011 C PHE A 67 10.008 -7.479 -0.063 1.00 0.00 C ATOM 1012 O PHE A 67 11.099 -7.322 -0.612 1.00 0.00 O ATOM 1013 CB PHE A 67 10.054 -6.776 2.340 1.00 0.00 C ATOM 1014 CG PHE A 67 10.100 -5.598 3.281 1.00 0.00 C ATOM 1015 CD1 PHE A 67 9.965 -4.293 2.818 1.00 0.00 C ATOM 1016 CD2 PHE A 67 10.285 -5.801 4.640 1.00 0.00 C ATOM 1017 CE1 PHE A 67 10.011 -3.224 3.693 1.00 0.00 C ATOM 1018 CE2 PHE A 67 10.335 -4.735 5.517 1.00 0.00 C ATOM 1019 CZ PHE A 67 10.197 -3.445 5.043 1.00 0.00 C ATOM 0 H PHE A 67 7.631 -6.964 1.784 1.00 0.00 H new ATOM 0 HA PHE A 67 9.822 -5.472 0.644 1.00 0.00 H new ATOM 0 HB2 PHE A 67 9.451 -7.563 2.794 1.00 0.00 H new ATOM 0 HB3 PHE A 67 11.063 -7.173 2.227 1.00 0.00 H new ATOM 0 HD1 PHE A 67 9.823 -4.113 1.763 1.00 0.00 H new ATOM 0 HD2 PHE A 67 10.392 -6.807 5.018 1.00 0.00 H new ATOM 0 HE1 PHE A 67 9.901 -2.216 3.321 1.00 0.00 H new ATOM 0 HE2 PHE A 67 10.482 -4.910 6.573 1.00 0.00 H new ATOM 0 HZ PHE A 67 10.235 -2.610 5.727 1.00 0.00 H new ATOM 1029 N GLU A 68 9.217 -8.518 -0.312 1.00 0.00 N ATOM 1030 CA GLU A 68 9.596 -9.556 -1.263 1.00 0.00 C ATOM 1031 C GLU A 68 9.091 -9.221 -2.664 1.00 0.00 C ATOM 1032 O GLU A 68 9.686 -9.625 -3.663 1.00 0.00 O ATOM 1033 CB GLU A 68 9.043 -10.912 -0.820 1.00 0.00 C ATOM 1034 CG GLU A 68 9.324 -11.235 0.638 1.00 0.00 C ATOM 1035 CD GLU A 68 9.687 -12.691 0.854 1.00 0.00 C ATOM 1036 OE1 GLU A 68 10.417 -13.251 0.009 1.00 0.00 O ATOM 1037 OE2 GLU A 68 9.241 -13.271 1.865 1.00 0.00 O ATOM 0 H GLU A 68 8.310 -8.663 0.132 1.00 0.00 H new ATOM 0 HA GLU A 68 10.684 -9.608 -1.290 1.00 0.00 H new ATOM 0 HB2 GLU A 68 7.966 -10.928 -0.986 1.00 0.00 H new ATOM 0 HB3 GLU A 68 9.474 -11.693 -1.446 1.00 0.00 H new ATOM 0 HG2 GLU A 68 10.138 -10.605 0.995 1.00 0.00 H new ATOM 0 HG3 GLU A 68 8.446 -10.991 1.236 1.00 0.00 H new ATOM 1044 N ALA A 69 7.988 -8.481 -2.730 1.00 0.00 N ATOM 1045 CA ALA A 69 7.402 -8.093 -4.010 1.00 0.00 C ATOM 1046 C ALA A 69 7.981 -6.786 -4.520 1.00 0.00 C ATOM 1047 O ALA A 69 7.771 -6.395 -5.668 1.00 0.00 O ATOM 1048 CB ALA A 69 5.896 -7.982 -3.882 1.00 0.00 C ATOM 0 H ALA A 69 7.482 -8.138 -1.913 1.00 0.00 H new ATOM 0 HA ALA A 69 7.647 -8.869 -4.735 1.00 0.00 H new ATOM 0 HB1 ALA A 69 5.470 -7.692 -4.842 1.00 0.00 H new ATOM 0 HB2 ALA A 69 5.485 -8.945 -3.578 1.00 0.00 H new ATOM 0 HB3 ALA A 69 5.649 -7.229 -3.133 1.00 0.00 H new ATOM 1054 N ALA A 70 8.706 -6.129 -3.651 1.00 0.00 N ATOM 1055 CA ALA A 70 9.340 -4.856 -3.972 1.00 0.00 C ATOM 1056 C ALA A 70 10.758 -5.065 -4.489 1.00 0.00 C ATOM 1057 O ALA A 70 11.261 -4.277 -5.290 1.00 0.00 O ATOM 1058 CB ALA A 70 9.348 -3.947 -2.752 1.00 0.00 C ATOM 0 H ALA A 70 8.879 -6.453 -2.699 1.00 0.00 H new ATOM 0 HA ALA A 70 8.760 -4.378 -4.762 1.00 0.00 H new ATOM 0 HB1 ALA A 70 9.824 -3.000 -3.007 1.00 0.00 H new ATOM 0 HB2 ALA A 70 8.323 -3.762 -2.429 1.00 0.00 H new ATOM 0 HB3 ALA A 70 9.902 -4.426 -1.945 1.00 0.00 H new ATOM 1064 N ASP A 71 11.400 -6.134 -4.026 1.00 0.00 N ATOM 1065 CA ASP A 71 12.760 -6.449 -4.443 1.00 0.00 C ATOM 1066 C ASP A 71 12.843 -7.873 -4.992 1.00 0.00 C ATOM 1067 O ASP A 71 12.557 -8.836 -4.280 1.00 0.00 O ATOM 1068 CB ASP A 71 13.725 -6.287 -3.266 1.00 0.00 C ATOM 1069 CG ASP A 71 15.163 -6.123 -3.715 1.00 0.00 C ATOM 1070 OD1 ASP A 71 15.474 -5.089 -4.342 1.00 0.00 O ATOM 1071 OD2 ASP A 71 15.977 -7.028 -3.441 1.00 0.00 O ATOM 0 H ASP A 71 10.999 -6.796 -3.362 1.00 0.00 H new ATOM 0 HA ASP A 71 13.043 -5.755 -5.235 1.00 0.00 H new ATOM 0 HB2 ASP A 71 13.431 -5.419 -2.675 1.00 0.00 H new ATOM 0 HB3 ASP A 71 13.648 -7.157 -2.614 1.00 0.00 H new ATOM 1076 N PRO A 72 13.237 -8.032 -6.270 1.00 0.00 N ATOM 1077 CA PRO A 72 13.352 -9.352 -6.899 1.00 0.00 C ATOM 1078 C PRO A 72 14.436 -10.207 -6.250 1.00 0.00 C ATOM 1079 O PRO A 72 14.254 -11.407 -6.048 1.00 0.00 O ATOM 1080 CB PRO A 72 13.721 -9.032 -8.351 1.00 0.00 C ATOM 1081 CG PRO A 72 14.315 -7.667 -8.305 1.00 0.00 C ATOM 1082 CD PRO A 72 13.602 -6.945 -7.198 1.00 0.00 C ATOM 0 HA PRO A 72 12.433 -9.929 -6.801 1.00 0.00 H new ATOM 0 HB2 PRO A 72 14.431 -9.758 -8.747 1.00 0.00 H new ATOM 0 HB3 PRO A 72 12.843 -9.059 -8.997 1.00 0.00 H new ATOM 0 HG2 PRO A 72 15.387 -7.714 -8.114 1.00 0.00 H new ATOM 0 HG3 PRO A 72 14.183 -7.151 -9.256 1.00 0.00 H new ATOM 0 HD2 PRO A 72 14.244 -6.205 -6.720 1.00 0.00 H new ATOM 0 HD3 PRO A 72 12.723 -6.415 -7.563 1.00 0.00 H new ATOM 1090 N ASN A 73 15.561 -9.580 -5.925 1.00 0.00 N ATOM 1091 CA ASN A 73 16.674 -10.282 -5.298 1.00 0.00 C ATOM 1092 C ASN A 73 16.399 -10.517 -3.816 1.00 0.00 C ATOM 1093 O ASN A 73 16.857 -11.503 -3.238 1.00 0.00 O ATOM 1094 CB ASN A 73 17.967 -9.485 -5.468 1.00 0.00 C ATOM 1095 CG ASN A 73 18.266 -9.171 -6.921 1.00 0.00 C ATOM 1096 OD1 ASN A 73 18.015 -9.986 -7.808 1.00 0.00 O ATOM 1097 ND2 ASN A 73 18.806 -7.984 -7.171 1.00 0.00 N ATOM 0 H ASN A 73 15.726 -8.586 -6.086 1.00 0.00 H new ATOM 0 HA ASN A 73 16.785 -11.249 -5.788 1.00 0.00 H new ATOM 0 HB2 ASN A 73 17.893 -8.554 -4.906 1.00 0.00 H new ATOM 0 HB3 ASN A 73 18.797 -10.049 -5.043 1.00 0.00 H new ATOM 0 HD21 ASN A 73 19.029 -7.717 -8.130 1.00 0.00 H new ATOM 0 HD22 ASN A 73 18.997 -7.339 -6.404 1.00 0.00 H new ATOM 1104 N ASN A 74 15.658 -9.599 -3.205 1.00 0.00 N ATOM 1105 CA ASN A 74 15.326 -9.691 -1.789 1.00 0.00 C ATOM 1106 C ASN A 74 16.553 -9.397 -0.944 1.00 0.00 C ATOM 1107 O ASN A 74 16.781 -10.029 0.088 1.00 0.00 O ATOM 1108 CB ASN A 74 14.771 -11.074 -1.441 1.00 0.00 C ATOM 1109 CG ASN A 74 13.736 -11.552 -2.441 1.00 0.00 C ATOM 1110 OD1 ASN A 74 12.613 -11.053 -2.476 1.00 0.00 O ATOM 1111 ND2 ASN A 74 14.113 -12.527 -3.261 1.00 0.00 N ATOM 0 H ASN A 74 15.274 -8.778 -3.672 1.00 0.00 H new ATOM 0 HA ASN A 74 14.556 -8.950 -1.574 1.00 0.00 H new ATOM 0 HB2 ASN A 74 15.591 -11.791 -1.400 1.00 0.00 H new ATOM 0 HB3 ASN A 74 14.324 -11.043 -0.447 1.00 0.00 H new ATOM 0 HD21 ASN A 74 13.460 -12.891 -3.955 1.00 0.00 H new ATOM 0 HD22 ASN A 74 15.055 -12.912 -3.197 1.00 0.00 H new ATOM 1118 N THR A 75 17.341 -8.428 -1.391 1.00 0.00 N ATOM 1119 CA THR A 75 18.551 -8.041 -0.682 1.00 0.00 C ATOM 1120 C THR A 75 18.247 -6.948 0.338 1.00 0.00 C ATOM 1121 O THR A 75 19.012 -5.994 0.492 1.00 0.00 O ATOM 1122 CB THR A 75 19.616 -7.566 -1.672 1.00 0.00 C ATOM 1123 OG1 THR A 75 20.686 -6.929 -0.998 1.00 0.00 O ATOM 1124 CG2 THR A 75 19.083 -6.600 -2.710 1.00 0.00 C ATOM 0 H THR A 75 17.163 -7.896 -2.243 1.00 0.00 H new ATOM 0 HA THR A 75 18.934 -8.911 -0.149 1.00 0.00 H new ATOM 0 HB THR A 75 19.956 -8.468 -2.181 1.00 0.00 H new ATOM 0 HG1 THR A 75 20.364 -6.102 -0.581 1.00 0.00 H new ATOM 0 HG21 THR A 75 19.890 -6.303 -3.380 1.00 0.00 H new ATOM 0 HG22 THR A 75 18.293 -7.083 -3.285 1.00 0.00 H new ATOM 0 HG23 THR A 75 18.681 -5.717 -2.213 1.00 0.00 H new ATOM 1132 N GLY A 76 17.122 -7.092 1.033 1.00 0.00 N ATOM 1133 CA GLY A 76 16.728 -6.114 2.027 1.00 0.00 C ATOM 1134 C GLY A 76 16.755 -4.695 1.494 1.00 0.00 C ATOM 1135 O GLY A 76 16.908 -3.741 2.259 1.00 0.00 O ATOM 0 H GLY A 76 16.475 -7.873 0.923 1.00 0.00 H new ATOM 0 HA2 GLY A 76 15.723 -6.346 2.381 1.00 0.00 H new ATOM 0 HA3 GLY A 76 17.394 -6.188 2.887 1.00 0.00 H new ATOM 1139 N PHE A 77 16.604 -4.553 0.181 1.00 0.00 N ATOM 1140 CA PHE A 77 16.609 -3.240 -0.451 1.00 0.00 C ATOM 1141 C PHE A 77 15.355 -3.040 -1.297 1.00 0.00 C ATOM 1142 O PHE A 77 15.012 -3.885 -2.124 1.00 0.00 O ATOM 1143 CB PHE A 77 17.859 -3.072 -1.318 1.00 0.00 C ATOM 1144 CG PHE A 77 18.948 -2.278 -0.654 1.00 0.00 C ATOM 1145 CD1 PHE A 77 18.967 -0.895 -0.743 1.00 0.00 C ATOM 1146 CD2 PHE A 77 19.951 -2.915 0.058 1.00 0.00 C ATOM 1147 CE1 PHE A 77 19.968 -0.162 -0.136 1.00 0.00 C ATOM 1148 CE2 PHE A 77 20.955 -2.187 0.669 1.00 0.00 C ATOM 1149 CZ PHE A 77 20.963 -0.809 0.574 1.00 0.00 C ATOM 0 H PHE A 77 16.477 -5.332 -0.465 1.00 0.00 H new ATOM 0 HA PHE A 77 16.619 -2.485 0.335 1.00 0.00 H new ATOM 0 HB2 PHE A 77 18.246 -4.057 -1.578 1.00 0.00 H new ATOM 0 HB3 PHE A 77 17.581 -2.582 -2.251 1.00 0.00 H new ATOM 0 HD1 PHE A 77 18.190 -0.385 -1.293 1.00 0.00 H new ATOM 0 HD2 PHE A 77 19.949 -3.992 0.137 1.00 0.00 H new ATOM 0 HE1 PHE A 77 19.974 0.915 -0.216 1.00 0.00 H new ATOM 0 HE2 PHE A 77 21.732 -2.695 1.220 1.00 0.00 H new ATOM 0 HZ PHE A 77 21.745 -0.238 1.053 1.00 0.00 H new ATOM 1159 N ILE A 78 14.676 -1.916 -1.085 1.00 0.00 N ATOM 1160 CA ILE A 78 13.460 -1.607 -1.829 1.00 0.00 C ATOM 1161 C ILE A 78 13.722 -0.576 -2.916 1.00 0.00 C ATOM 1162 O ILE A 78 14.602 0.276 -2.788 1.00 0.00 O ATOM 1163 CB ILE A 78 12.351 -1.043 -0.911 1.00 0.00 C ATOM 1164 CG1 ILE A 78 11.876 -2.089 0.089 1.00 0.00 C ATOM 1165 CG2 ILE A 78 11.166 -0.544 -1.733 1.00 0.00 C ATOM 1166 CD1 ILE A 78 10.763 -1.584 0.980 1.00 0.00 C ATOM 0 H ILE A 78 14.947 -1.206 -0.405 1.00 0.00 H new ATOM 0 HA ILE A 78 13.133 -2.549 -2.270 1.00 0.00 H new ATOM 0 HB ILE A 78 12.780 -0.205 -0.361 1.00 0.00 H new ATOM 0 HG12 ILE A 78 11.531 -2.971 -0.451 1.00 0.00 H new ATOM 0 HG13 ILE A 78 12.717 -2.402 0.708 1.00 0.00 H new ATOM 0 HG21 ILE A 78 10.399 -0.152 -1.065 1.00 0.00 H new ATOM 0 HG22 ILE A 78 11.498 0.245 -2.407 1.00 0.00 H new ATOM 0 HG23 ILE A 78 10.754 -1.369 -2.315 1.00 0.00 H new ATOM 0 HD11 ILE A 78 10.465 -2.372 1.672 1.00 0.00 H new ATOM 0 HD12 ILE A 78 11.112 -0.719 1.544 1.00 0.00 H new ATOM 0 HD13 ILE A 78 9.908 -1.297 0.367 1.00 0.00 H new ATOM 1178 N ASP A 79 12.904 -0.626 -3.956 1.00 0.00 N ATOM 1179 CA ASP A 79 12.989 0.335 -5.038 1.00 0.00 C ATOM 1180 C ASP A 79 11.915 1.388 -4.812 1.00 0.00 C ATOM 1181 O ASP A 79 10.753 1.179 -5.158 1.00 0.00 O ATOM 1182 CB ASP A 79 12.792 -0.350 -6.391 1.00 0.00 C ATOM 1183 CG ASP A 79 12.916 0.616 -7.553 1.00 0.00 C ATOM 1184 OD1 ASP A 79 12.250 1.672 -7.519 1.00 0.00 O ATOM 1185 OD2 ASP A 79 13.678 0.318 -8.495 1.00 0.00 O ATOM 0 H ASP A 79 12.171 -1.326 -4.071 1.00 0.00 H new ATOM 0 HA ASP A 79 13.976 0.797 -5.049 1.00 0.00 H new ATOM 0 HB2 ASP A 79 13.529 -1.145 -6.503 1.00 0.00 H new ATOM 0 HB3 ASP A 79 11.809 -0.821 -6.417 1.00 0.00 H new ATOM 1190 N TYR A 80 12.306 2.499 -4.186 1.00 0.00 N ATOM 1191 CA TYR A 80 11.380 3.587 -3.857 1.00 0.00 C ATOM 1192 C TYR A 80 10.221 3.681 -4.848 1.00 0.00 C ATOM 1193 O TYR A 80 9.076 3.895 -4.453 1.00 0.00 O ATOM 1194 CB TYR A 80 12.126 4.919 -3.811 1.00 0.00 C ATOM 1195 CG TYR A 80 11.306 6.055 -3.243 1.00 0.00 C ATOM 1196 CD1 TYR A 80 11.307 6.323 -1.880 1.00 0.00 C ATOM 1197 CD2 TYR A 80 10.531 6.858 -4.070 1.00 0.00 C ATOM 1198 CE1 TYR A 80 10.557 7.359 -1.356 1.00 0.00 C ATOM 1199 CE2 TYR A 80 9.779 7.897 -3.554 1.00 0.00 C ATOM 1200 CZ TYR A 80 9.795 8.144 -2.198 1.00 0.00 C ATOM 1201 OH TYR A 80 9.048 9.176 -1.680 1.00 0.00 O ATOM 0 H TYR A 80 13.268 2.671 -3.894 1.00 0.00 H new ATOM 0 HA TYR A 80 10.960 3.364 -2.876 1.00 0.00 H new ATOM 0 HB2 TYR A 80 13.029 4.799 -3.212 1.00 0.00 H new ATOM 0 HB3 TYR A 80 12.445 5.182 -4.820 1.00 0.00 H new ATOM 0 HD1 TYR A 80 11.904 5.712 -1.219 1.00 0.00 H new ATOM 0 HD2 TYR A 80 10.516 6.668 -5.133 1.00 0.00 H new ATOM 0 HE1 TYR A 80 10.567 7.553 -0.294 1.00 0.00 H new ATOM 0 HE2 TYR A 80 9.182 8.512 -4.210 1.00 0.00 H new ATOM 0 HH TYR A 80 8.571 9.631 -2.405 1.00 0.00 H new ATOM 1211 N LYS A 81 10.522 3.516 -6.131 1.00 0.00 N ATOM 1212 CA LYS A 81 9.493 3.580 -7.162 1.00 0.00 C ATOM 1213 C LYS A 81 8.514 2.421 -7.014 1.00 0.00 C ATOM 1214 O LYS A 81 7.310 2.630 -6.884 1.00 0.00 O ATOM 1215 CB LYS A 81 10.126 3.561 -8.555 1.00 0.00 C ATOM 1216 CG LYS A 81 11.176 4.641 -8.760 1.00 0.00 C ATOM 1217 CD LYS A 81 11.178 5.151 -10.191 1.00 0.00 C ATOM 1218 CE LYS A 81 11.660 6.592 -10.270 1.00 0.00 C ATOM 1219 NZ LYS A 81 11.779 7.062 -11.677 1.00 0.00 N ATOM 0 H LYS A 81 11.464 3.338 -6.481 1.00 0.00 H new ATOM 0 HA LYS A 81 8.947 4.515 -7.040 1.00 0.00 H new ATOM 0 HB2 LYS A 81 10.582 2.586 -8.725 1.00 0.00 H new ATOM 0 HB3 LYS A 81 9.342 3.681 -9.303 1.00 0.00 H new ATOM 0 HG2 LYS A 81 10.985 5.469 -8.078 1.00 0.00 H new ATOM 0 HG3 LYS A 81 12.161 4.244 -8.513 1.00 0.00 H new ATOM 0 HD2 LYS A 81 11.820 4.518 -10.803 1.00 0.00 H new ATOM 0 HD3 LYS A 81 10.172 5.080 -10.605 1.00 0.00 H new ATOM 0 HE2 LYS A 81 10.967 7.237 -9.730 1.00 0.00 H new ATOM 0 HE3 LYS A 81 12.627 6.679 -9.775 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 12.110 8.048 -11.687 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 12.460 6.463 -12.187 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 10.851 7.004 -12.142 1.00 0.00 H new ATOM 1233 N ALA A 82 9.036 1.198 -7.021 1.00 0.00 N ATOM 1234 CA ALA A 82 8.198 0.013 -6.871 1.00 0.00 C ATOM 1235 C ALA A 82 7.327 0.127 -5.625 1.00 0.00 C ATOM 1236 O ALA A 82 6.254 -0.470 -5.544 1.00 0.00 O ATOM 1237 CB ALA A 82 9.061 -1.239 -6.797 1.00 0.00 C ATOM 0 H ALA A 82 10.031 1.002 -7.128 1.00 0.00 H new ATOM 0 HA ALA A 82 7.547 -0.061 -7.742 1.00 0.00 H new ATOM 0 HB1 ALA A 82 8.422 -2.115 -6.685 1.00 0.00 H new ATOM 0 HB2 ALA A 82 9.647 -1.332 -7.711 1.00 0.00 H new ATOM 0 HB3 ALA A 82 9.733 -1.168 -5.941 1.00 0.00 H new ATOM 1243 N PHE A 83 7.803 0.901 -4.654 1.00 0.00 N ATOM 1244 CA PHE A 83 7.080 1.105 -3.407 1.00 0.00 C ATOM 1245 C PHE A 83 6.172 2.329 -3.498 1.00 0.00 C ATOM 1246 O PHE A 83 5.122 2.384 -2.857 1.00 0.00 O ATOM 1247 CB PHE A 83 8.069 1.267 -2.251 1.00 0.00 C ATOM 1248 CG PHE A 83 7.890 0.242 -1.170 1.00 0.00 C ATOM 1249 CD1 PHE A 83 8.092 -1.101 -1.438 1.00 0.00 C ATOM 1250 CD2 PHE A 83 7.518 0.620 0.110 1.00 0.00 C ATOM 1251 CE1 PHE A 83 7.927 -2.050 -0.450 1.00 0.00 C ATOM 1252 CE2 PHE A 83 7.350 -0.326 1.103 1.00 0.00 C ATOM 1253 CZ PHE A 83 7.555 -1.662 0.824 1.00 0.00 C ATOM 0 H PHE A 83 8.691 1.399 -4.710 1.00 0.00 H new ATOM 0 HA PHE A 83 6.455 0.231 -3.224 1.00 0.00 H new ATOM 0 HB2 PHE A 83 9.085 1.202 -2.639 1.00 0.00 H new ATOM 0 HB3 PHE A 83 7.955 2.262 -1.821 1.00 0.00 H new ATOM 0 HD1 PHE A 83 8.382 -1.409 -2.432 1.00 0.00 H new ATOM 0 HD2 PHE A 83 7.358 1.664 0.334 1.00 0.00 H new ATOM 0 HE1 PHE A 83 8.088 -3.095 -0.672 1.00 0.00 H new ATOM 0 HE2 PHE A 83 7.058 -0.020 2.097 1.00 0.00 H new ATOM 0 HZ PHE A 83 7.425 -2.403 1.599 1.00 0.00 H new ATOM 1263 N ALA A 84 6.584 3.310 -4.294 1.00 0.00 N ATOM 1264 CA ALA A 84 5.812 4.536 -4.467 1.00 0.00 C ATOM 1265 C ALA A 84 4.679 4.342 -5.468 1.00 0.00 C ATOM 1266 O ALA A 84 3.546 4.761 -5.227 1.00 0.00 O ATOM 1267 CB ALA A 84 6.721 5.673 -4.907 1.00 0.00 C ATOM 0 H ALA A 84 7.451 3.280 -4.831 1.00 0.00 H new ATOM 0 HA ALA A 84 5.366 4.791 -3.506 1.00 0.00 H new ATOM 0 HB1 ALA A 84 6.132 6.582 -5.032 1.00 0.00 H new ATOM 0 HB2 ALA A 84 7.488 5.839 -4.151 1.00 0.00 H new ATOM 0 HB3 ALA A 84 7.195 5.414 -5.854 1.00 0.00 H new ATOM 1273 N ALA A 85 4.991 3.710 -6.595 1.00 0.00 N ATOM 1274 CA ALA A 85 3.998 3.465 -7.636 1.00 0.00 C ATOM 1275 C ALA A 85 2.993 2.407 -7.219 1.00 0.00 C ATOM 1276 O ALA A 85 1.962 2.213 -7.862 1.00 0.00 O ATOM 1277 CB ALA A 85 4.678 3.066 -8.931 1.00 0.00 C ATOM 0 H ALA A 85 5.924 3.358 -6.811 1.00 0.00 H new ATOM 0 HA ALA A 85 3.451 4.394 -7.793 1.00 0.00 H new ATOM 0 HB1 ALA A 85 3.924 2.887 -9.698 1.00 0.00 H new ATOM 0 HB2 ALA A 85 5.342 3.867 -9.255 1.00 0.00 H new ATOM 0 HB3 ALA A 85 5.258 2.157 -8.772 1.00 0.00 H new ATOM 1283 N MET A 86 3.309 1.736 -6.139 1.00 0.00 N ATOM 1284 CA MET A 86 2.456 0.686 -5.598 1.00 0.00 C ATOM 1285 C MET A 86 1.166 1.276 -5.038 1.00 0.00 C ATOM 1286 O MET A 86 0.101 0.666 -5.130 1.00 0.00 O ATOM 1287 CB MET A 86 3.194 -0.090 -4.504 1.00 0.00 C ATOM 1288 CG MET A 86 2.380 -1.228 -3.910 1.00 0.00 C ATOM 1289 SD MET A 86 2.406 -2.710 -4.937 1.00 0.00 S ATOM 1290 CE MET A 86 3.586 -3.718 -4.043 1.00 0.00 C ATOM 0 H MET A 86 4.163 1.896 -5.604 1.00 0.00 H new ATOM 0 HA MET A 86 2.203 0.001 -6.408 1.00 0.00 H new ATOM 0 HB2 MET A 86 4.119 -0.493 -4.917 1.00 0.00 H new ATOM 0 HB3 MET A 86 3.474 0.599 -3.708 1.00 0.00 H new ATOM 0 HG2 MET A 86 2.768 -1.469 -2.921 1.00 0.00 H new ATOM 0 HG3 MET A 86 1.349 -0.901 -3.777 1.00 0.00 H new ATOM 0 HE1 MET A 86 3.711 -4.672 -4.555 1.00 0.00 H new ATOM 0 HE2 MET A 86 4.545 -3.202 -3.998 1.00 0.00 H new ATOM 0 HE3 MET A 86 3.221 -3.895 -3.031 1.00 0.00 H new ATOM 1300 N LEU A 87 1.270 2.466 -4.456 1.00 0.00 N ATOM 1301 CA LEU A 87 0.110 3.142 -3.880 1.00 0.00 C ATOM 1302 C LEU A 87 -0.425 4.214 -4.805 1.00 0.00 C ATOM 1303 O LEU A 87 -1.470 4.819 -4.561 1.00 0.00 O ATOM 1304 CB LEU A 87 0.479 3.761 -2.543 1.00 0.00 C ATOM 1305 CG LEU A 87 0.994 2.779 -1.489 1.00 0.00 C ATOM 1306 CD1 LEU A 87 2.515 2.779 -1.457 1.00 0.00 C ATOM 1307 CD2 LEU A 87 0.430 3.124 -0.119 1.00 0.00 C ATOM 0 H LEU A 87 2.145 2.983 -4.370 1.00 0.00 H new ATOM 0 HA LEU A 87 -0.671 2.396 -3.737 1.00 0.00 H new ATOM 0 HB2 LEU A 87 1.242 4.521 -2.711 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -0.397 4.271 -2.143 1.00 0.00 H new ATOM 0 HG LEU A 87 0.657 1.778 -1.757 1.00 0.00 H new ATOM 0 HD11 LEU A 87 2.863 2.075 -0.701 1.00 0.00 H new ATOM 0 HD12 LEU A 87 2.899 2.483 -2.433 1.00 0.00 H new ATOM 0 HD13 LEU A 87 2.874 3.779 -1.213 1.00 0.00 H new ATOM 0 HD21 LEU A 87 0.807 2.415 0.619 1.00 0.00 H new ATOM 0 HD22 LEU A 87 0.737 4.133 0.157 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -0.658 3.071 -0.150 1.00 0.00 H new ATOM 1319 N TYR A 88 0.311 4.430 -5.855 1.00 0.00 N ATOM 1320 CA TYR A 88 -0.033 5.423 -6.866 1.00 0.00 C ATOM 1321 C TYR A 88 -0.073 4.801 -8.258 1.00 0.00 C ATOM 1322 O TYR A 88 0.066 5.498 -9.265 1.00 0.00 O ATOM 1323 CB TYR A 88 0.970 6.578 -6.839 1.00 0.00 C ATOM 1324 CG TYR A 88 1.273 7.084 -5.446 1.00 0.00 C ATOM 1325 CD1 TYR A 88 0.252 7.319 -4.535 1.00 0.00 C ATOM 1326 CD2 TYR A 88 2.580 7.326 -5.043 1.00 0.00 C ATOM 1327 CE1 TYR A 88 0.525 7.782 -3.261 1.00 0.00 C ATOM 1328 CE2 TYR A 88 2.862 7.788 -3.772 1.00 0.00 C ATOM 1329 CZ TYR A 88 1.830 8.014 -2.885 1.00 0.00 C ATOM 1330 OH TYR A 88 2.107 8.473 -1.618 1.00 0.00 O ATOM 0 H TYR A 88 1.176 3.925 -6.048 1.00 0.00 H new ATOM 0 HA TYR A 88 -1.027 5.806 -6.634 1.00 0.00 H new ATOM 0 HB2 TYR A 88 1.898 6.253 -7.308 1.00 0.00 H new ATOM 0 HB3 TYR A 88 0.580 7.401 -7.439 1.00 0.00 H new ATOM 0 HD1 TYR A 88 -0.772 7.137 -4.826 1.00 0.00 H new ATOM 0 HD2 TYR A 88 3.390 7.150 -5.735 1.00 0.00 H new ATOM 0 HE1 TYR A 88 -0.281 7.961 -2.564 1.00 0.00 H new ATOM 0 HE2 TYR A 88 3.884 7.971 -3.475 1.00 0.00 H new ATOM 0 HH TYR A 88 1.429 9.129 -1.352 1.00 0.00 H new ATOM 1340 N SER A 89 -0.262 3.487 -8.311 1.00 0.00 N ATOM 1341 CA SER A 89 -0.319 2.772 -9.580 1.00 0.00 C ATOM 1342 C SER A 89 -1.550 3.188 -10.383 1.00 0.00 C ATOM 1343 O SER A 89 -2.550 2.471 -10.417 1.00 0.00 O ATOM 1344 CB SER A 89 -0.337 1.262 -9.340 1.00 0.00 C ATOM 1345 OG SER A 89 0.387 0.576 -10.346 1.00 0.00 O ATOM 0 H SER A 89 -0.378 2.895 -7.489 1.00 0.00 H new ATOM 0 HA SER A 89 0.571 3.029 -10.154 1.00 0.00 H new ATOM 0 HB2 SER A 89 0.093 1.041 -8.363 1.00 0.00 H new ATOM 0 HB3 SER A 89 -1.367 0.906 -9.322 1.00 0.00 H new ATOM 0 HG SER A 89 0.361 -0.387 -10.168 1.00 0.00 H new