USER MOD reduce.3.24.130724 H: found=0, std=0, add=440, rem=0, adj=12 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+ 138:sc= 0.00202 (180deg=-1.01) USER MOD Single : A 26 THR OG1 : rot -76:sc= 0.131 USER MOD Single : A 27 GLN : amide:sc= -0.0356 X(o=-0.036,f=-0.039) USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 ASN : amide:sc= 0.495 X(o=0.5,f=0) USER MOD Single : A 44 SER OG : rot -77:sc= 1.35 USER MOD Single : A 58 MET CE :methyl -172:sc= -4.95! (180deg=-5.5) USER MOD Single : A 59 THR OG1 : rot 129:sc= -0.354 USER MOD Single : A 64 THR OG1 : rot 82:sc= 0.219 USER MOD Single : A 73 ASN : amide:sc= -0.0604 X(o=-0.06,f=-0.06) USER MOD Single : A 74 ASN : amide:sc= -0.655 K(o=-0.65,f=-1.6) USER MOD Single : A 75 THR OG1 : rot 180:sc=-0.00116 USER MOD Single : A 80 TYR OH : rot 180:sc= 0 USER MOD Single : A 81 LYS NZ :NH3+ 154:sc= -0.0049 (180deg=-0.603) USER MOD Single : A 86 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 88 TYR OH : rot 180:sc= 0 USER MOD Single : A 89 SER OG : rot 180:sc= 0.082 USER MOD ----------------------------------------------------------------- ATOM 350 N LYS A 25 -5.651 4.165 1.342 1.00 0.00 N ATOM 351 CA LYS A 25 -4.411 4.893 1.099 1.00 0.00 C ATOM 352 C LYS A 25 -4.189 5.954 2.172 1.00 0.00 C ATOM 353 O LYS A 25 -3.053 6.338 2.453 1.00 0.00 O ATOM 354 CB LYS A 25 -4.441 5.546 -0.284 1.00 0.00 C ATOM 355 CG LYS A 25 -3.161 6.287 -0.636 1.00 0.00 C ATOM 356 CD LYS A 25 -3.451 7.646 -1.250 1.00 0.00 C ATOM 357 CE LYS A 25 -2.263 8.585 -1.115 1.00 0.00 C ATOM 358 NZ LYS A 25 -1.134 8.183 -2.000 1.00 0.00 N ATOM 0 HA LYS A 25 -3.585 4.183 1.138 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -4.624 4.778 -1.035 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -5.278 6.243 -0.329 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -2.555 6.415 0.261 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -2.575 5.690 -1.334 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -3.701 7.524 -2.304 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -4.321 8.087 -0.765 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -2.573 9.601 -1.361 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -1.926 8.597 -0.079 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -0.722 9.029 -2.443 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -0.407 7.698 -1.436 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -1.484 7.541 -2.740 1.00 0.00 H new ATOM 372 N THR A 26 -5.281 6.428 2.767 1.00 0.00 N ATOM 373 CA THR A 26 -5.204 7.448 3.806 1.00 0.00 C ATOM 374 C THR A 26 -4.545 6.894 5.061 1.00 0.00 C ATOM 375 O THR A 26 -3.898 7.627 5.806 1.00 0.00 O ATOM 376 CB THR A 26 -6.587 8.014 4.124 1.00 0.00 C ATOM 377 OG1 THR A 26 -7.604 7.234 3.521 1.00 0.00 O ATOM 378 CG2 THR A 26 -6.758 9.443 3.649 1.00 0.00 C ATOM 0 H THR A 26 -6.229 6.121 2.547 1.00 0.00 H new ATOM 0 HA THR A 26 -4.586 8.263 3.429 1.00 0.00 H new ATOM 0 HB THR A 26 -6.672 7.989 5.210 1.00 0.00 H new ATOM 0 HG1 THR A 26 -7.643 7.433 2.562 1.00 0.00 H new ATOM 0 HG21 THR A 26 -7.759 9.793 3.902 1.00 0.00 H new ATOM 0 HG22 THR A 26 -6.018 10.079 4.135 1.00 0.00 H new ATOM 0 HG23 THR A 26 -6.620 9.486 2.569 1.00 0.00 H new ATOM 386 N GLN A 27 -4.686 5.594 5.282 1.00 0.00 N ATOM 387 CA GLN A 27 -4.068 4.961 6.438 1.00 0.00 C ATOM 388 C GLN A 27 -2.553 5.123 6.361 1.00 0.00 C ATOM 389 O GLN A 27 -1.856 5.100 7.377 1.00 0.00 O ATOM 390 CB GLN A 27 -4.438 3.477 6.501 1.00 0.00 C ATOM 391 CG GLN A 27 -5.933 3.219 6.401 1.00 0.00 C ATOM 392 CD GLN A 27 -6.720 3.915 7.494 1.00 0.00 C ATOM 393 OE1 GLN A 27 -6.400 3.798 8.677 1.00 0.00 O ATOM 394 NE2 GLN A 27 -7.756 4.647 7.101 1.00 0.00 N ATOM 0 H GLN A 27 -5.217 4.963 4.682 1.00 0.00 H new ATOM 0 HA GLN A 27 -4.436 5.444 7.343 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -3.932 2.950 5.692 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -4.067 3.058 7.436 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -6.292 3.557 5.429 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -6.117 2.146 6.453 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -7.985 4.716 6.109 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -8.323 5.140 7.791 1.00 0.00 H new ATOM 403 N LEU A 28 -2.055 5.293 5.138 1.00 0.00 N ATOM 404 CA LEU A 28 -0.628 5.469 4.890 1.00 0.00 C ATOM 405 C LEU A 28 -0.224 6.932 4.970 1.00 0.00 C ATOM 406 O LEU A 28 0.961 7.270 4.991 1.00 0.00 O ATOM 407 CB LEU A 28 -0.273 4.913 3.518 1.00 0.00 C ATOM 408 CG LEU A 28 1.227 4.799 3.230 1.00 0.00 C ATOM 409 CD1 LEU A 28 1.555 3.438 2.635 1.00 0.00 C ATOM 410 CD2 LEU A 28 1.677 5.913 2.298 1.00 0.00 C ATOM 0 H LEU A 28 -2.628 5.312 4.294 1.00 0.00 H new ATOM 0 HA LEU A 28 -0.083 4.926 5.662 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -0.723 3.925 3.416 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -0.726 5.549 2.757 1.00 0.00 H new ATOM 0 HG LEU A 28 1.767 4.900 4.172 1.00 0.00 H new ATOM 0 HD11 LEU A 28 2.625 3.376 2.437 1.00 0.00 H new ATOM 0 HD12 LEU A 28 1.270 2.655 3.338 1.00 0.00 H new ATOM 0 HD13 LEU A 28 1.005 3.306 1.703 1.00 0.00 H new ATOM 0 HD21 LEU A 28 2.745 5.816 2.104 1.00 0.00 H new ATOM 0 HD22 LEU A 28 1.130 5.844 1.358 1.00 0.00 H new ATOM 0 HD23 LEU A 28 1.479 6.879 2.763 1.00 0.00 H new ATOM 422 N ILE A 29 -1.223 7.781 5.009 1.00 0.00 N ATOM 423 CA ILE A 29 -1.023 9.229 5.083 1.00 0.00 C ATOM 424 C ILE A 29 -0.287 9.636 6.338 1.00 0.00 C ATOM 425 O ILE A 29 0.232 10.746 6.457 1.00 0.00 O ATOM 426 CB ILE A 29 -2.365 9.975 5.015 1.00 0.00 C ATOM 427 CG1 ILE A 29 -3.008 9.783 3.646 1.00 0.00 C ATOM 428 CG2 ILE A 29 -2.192 11.457 5.336 1.00 0.00 C ATOM 429 CD1 ILE A 29 -2.417 10.637 2.553 1.00 0.00 C ATOM 0 H ILE A 29 -2.203 7.498 4.991 1.00 0.00 H new ATOM 0 HA ILE A 29 -0.412 9.503 4.223 1.00 0.00 H new ATOM 0 HB ILE A 29 -3.028 9.553 5.770 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -2.918 8.735 3.360 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -4.073 10.001 3.725 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -3.159 11.957 5.280 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -1.785 11.566 6.341 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -1.508 11.908 4.617 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -2.934 10.436 1.615 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -2.531 11.690 2.812 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -1.358 10.404 2.441 1.00 0.00 H new ATOM 441 N GLU A 30 -0.251 8.716 7.249 1.00 0.00 N ATOM 442 CA GLU A 30 0.419 8.907 8.530 1.00 0.00 C ATOM 443 C GLU A 30 1.929 8.766 8.398 1.00 0.00 C ATOM 444 O GLU A 30 2.669 8.867 9.377 1.00 0.00 O ATOM 445 CB GLU A 30 -0.120 7.933 9.579 1.00 0.00 C ATOM 446 CG GLU A 30 -1.516 8.280 10.070 1.00 0.00 C ATOM 447 CD GLU A 30 -1.500 9.282 11.209 1.00 0.00 C ATOM 448 OE1 GLU A 30 -0.617 9.170 12.086 1.00 0.00 O ATOM 449 OE2 GLU A 30 -2.371 10.177 11.223 1.00 0.00 O ATOM 0 H GLU A 30 -0.684 7.799 7.140 1.00 0.00 H new ATOM 0 HA GLU A 30 0.206 9.924 8.860 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -0.131 6.928 9.158 1.00 0.00 H new ATOM 0 HB3 GLU A 30 0.561 7.914 10.430 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -2.098 8.685 9.242 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -2.019 7.370 10.398 1.00 0.00 H new ATOM 456 N ALA A 31 2.367 8.540 7.179 1.00 0.00 N ATOM 457 CA ALA A 31 3.786 8.386 6.879 1.00 0.00 C ATOM 458 C ALA A 31 4.403 9.715 6.458 1.00 0.00 C ATOM 459 O ALA A 31 5.597 9.946 6.651 1.00 0.00 O ATOM 460 CB ALA A 31 3.985 7.341 5.792 1.00 0.00 C ATOM 0 H ALA A 31 1.757 8.457 6.366 1.00 0.00 H new ATOM 0 HA ALA A 31 4.291 8.051 7.785 1.00 0.00 H new ATOM 0 HB1 ALA A 31 5.049 7.236 5.578 1.00 0.00 H new ATOM 0 HB2 ALA A 31 3.587 6.384 6.130 1.00 0.00 H new ATOM 0 HB3 ALA A 31 3.462 7.652 4.888 1.00 0.00 H new ATOM 466 N PHE A 32 3.582 10.586 5.879 1.00 0.00 N ATOM 467 CA PHE A 32 4.044 11.894 5.426 1.00 0.00 C ATOM 468 C PHE A 32 4.647 12.698 6.575 1.00 0.00 C ATOM 469 O PHE A 32 5.413 13.635 6.352 1.00 0.00 O ATOM 470 CB PHE A 32 2.888 12.674 4.796 1.00 0.00 C ATOM 471 CG PHE A 32 2.724 12.420 3.325 1.00 0.00 C ATOM 472 CD1 PHE A 32 2.467 11.143 2.853 1.00 0.00 C ATOM 473 CD2 PHE A 32 2.826 13.459 2.414 1.00 0.00 C ATOM 474 CE1 PHE A 32 2.317 10.906 1.501 1.00 0.00 C ATOM 475 CE2 PHE A 32 2.676 13.229 1.059 1.00 0.00 C ATOM 476 CZ PHE A 32 2.420 11.950 0.602 1.00 0.00 C ATOM 0 H PHE A 32 2.591 10.409 5.712 1.00 0.00 H new ATOM 0 HA PHE A 32 4.821 11.733 4.679 1.00 0.00 H new ATOM 0 HB2 PHE A 32 1.962 12.411 5.307 1.00 0.00 H new ATOM 0 HB3 PHE A 32 3.049 13.740 4.957 1.00 0.00 H new ATOM 0 HD1 PHE A 32 2.383 10.323 3.551 1.00 0.00 H new ATOM 0 HD2 PHE A 32 3.025 14.460 2.767 1.00 0.00 H new ATOM 0 HE1 PHE A 32 2.119 9.905 1.147 1.00 0.00 H new ATOM 0 HE2 PHE A 32 2.759 14.047 0.359 1.00 0.00 H new ATOM 0 HZ PHE A 32 2.301 11.767 -0.456 1.00 0.00 H new ATOM 486 N TYR A 33 4.299 12.329 7.806 1.00 0.00 N ATOM 487 CA TYR A 33 4.811 13.022 8.982 1.00 0.00 C ATOM 488 C TYR A 33 6.071 12.347 9.520 1.00 0.00 C ATOM 489 O TYR A 33 6.400 12.478 10.699 1.00 0.00 O ATOM 490 CB TYR A 33 3.740 13.072 10.075 1.00 0.00 C ATOM 491 CG TYR A 33 2.468 13.768 9.646 1.00 0.00 C ATOM 492 CD1 TYR A 33 1.593 13.168 8.750 1.00 0.00 C ATOM 493 CD2 TYR A 33 2.143 15.026 10.138 1.00 0.00 C ATOM 494 CE1 TYR A 33 0.430 13.801 8.356 1.00 0.00 C ATOM 495 CE2 TYR A 33 0.982 15.666 9.749 1.00 0.00 C ATOM 496 CZ TYR A 33 0.129 15.050 8.858 1.00 0.00 C ATOM 497 OH TYR A 33 -1.029 15.684 8.467 1.00 0.00 O ATOM 0 H TYR A 33 3.666 11.556 8.013 1.00 0.00 H new ATOM 0 HA TYR A 33 5.070 14.038 8.684 1.00 0.00 H new ATOM 0 HB2 TYR A 33 3.501 12.055 10.384 1.00 0.00 H new ATOM 0 HB3 TYR A 33 4.147 13.583 10.948 1.00 0.00 H new ATOM 0 HD1 TYR A 33 1.826 12.190 8.355 1.00 0.00 H new ATOM 0 HD2 TYR A 33 2.809 15.512 10.836 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -0.240 13.320 7.659 1.00 0.00 H new ATOM 0 HE2 TYR A 33 0.744 16.644 10.141 1.00 0.00 H new ATOM 0 HH TYR A 33 -1.092 16.554 8.913 1.00 0.00 H new ATOM 507 N ASN A 34 6.773 11.624 8.651 1.00 0.00 N ATOM 508 CA ASN A 34 7.995 10.934 9.043 1.00 0.00 C ATOM 509 C ASN A 34 8.675 10.298 7.832 1.00 0.00 C ATOM 510 O ASN A 34 9.293 9.240 7.942 1.00 0.00 O ATOM 511 CB ASN A 34 7.687 9.861 10.089 1.00 0.00 C ATOM 512 CG ASN A 34 8.788 9.730 11.123 1.00 0.00 C ATOM 513 OD1 ASN A 34 8.537 9.797 12.326 1.00 0.00 O ATOM 514 ND2 ASN A 34 10.018 9.540 10.658 1.00 0.00 N ATOM 0 H ASN A 34 6.515 11.502 7.672 1.00 0.00 H new ATOM 0 HA ASN A 34 8.674 11.669 9.475 1.00 0.00 H new ATOM 0 HB2 ASN A 34 6.749 10.103 10.589 1.00 0.00 H new ATOM 0 HB3 ASN A 34 7.544 8.902 9.591 1.00 0.00 H new ATOM 0 HD21 ASN A 34 10.799 9.443 11.307 1.00 0.00 H new ATOM 0 HD22 ASN A 34 10.181 9.491 9.652 1.00 0.00 H new ATOM 612 N PHE A 42 15.355 6.577 -2.746 1.00 0.00 N ATOM 613 CA PHE A 42 15.518 5.135 -2.604 1.00 0.00 C ATOM 614 C PHE A 42 15.639 4.742 -1.136 1.00 0.00 C ATOM 615 O PHE A 42 16.508 5.239 -0.420 1.00 0.00 O ATOM 616 CB PHE A 42 16.753 4.662 -3.373 1.00 0.00 C ATOM 617 CG PHE A 42 16.467 4.295 -4.802 1.00 0.00 C ATOM 618 CD1 PHE A 42 16.020 3.025 -5.127 1.00 0.00 C ATOM 619 CD2 PHE A 42 16.647 5.219 -5.818 1.00 0.00 C ATOM 620 CE1 PHE A 42 15.756 2.683 -6.439 1.00 0.00 C ATOM 621 CE2 PHE A 42 16.384 4.883 -7.133 1.00 0.00 C ATOM 622 CZ PHE A 42 15.938 3.613 -7.444 1.00 0.00 C ATOM 0 HA PHE A 42 14.633 4.653 -3.019 1.00 0.00 H new ATOM 0 HB2 PHE A 42 17.507 5.449 -3.353 1.00 0.00 H new ATOM 0 HB3 PHE A 42 17.180 3.798 -2.863 1.00 0.00 H new ATOM 0 HD1 PHE A 42 15.876 2.294 -4.346 1.00 0.00 H new ATOM 0 HD2 PHE A 42 16.997 6.213 -5.580 1.00 0.00 H new ATOM 0 HE1 PHE A 42 15.408 1.689 -6.679 1.00 0.00 H new ATOM 0 HE2 PHE A 42 16.527 5.613 -7.916 1.00 0.00 H new ATOM 0 HZ PHE A 42 15.732 3.348 -8.471 1.00 0.00 H new ATOM 632 N VAL A 43 14.763 3.846 -0.694 1.00 0.00 N ATOM 633 CA VAL A 43 14.770 3.384 0.689 1.00 0.00 C ATOM 634 C VAL A 43 15.043 1.885 0.763 1.00 0.00 C ATOM 635 O VAL A 43 14.331 1.084 0.158 1.00 0.00 O ATOM 636 CB VAL A 43 13.435 3.693 1.393 1.00 0.00 C ATOM 637 CG1 VAL A 43 12.283 2.986 0.692 1.00 0.00 C ATOM 638 CG2 VAL A 43 13.498 3.300 2.861 1.00 0.00 C ATOM 0 H VAL A 43 14.038 3.425 -1.275 1.00 0.00 H new ATOM 0 HA VAL A 43 15.569 3.921 1.200 1.00 0.00 H new ATOM 0 HB VAL A 43 13.259 4.767 1.337 1.00 0.00 H new ATOM 0 HG11 VAL A 43 11.349 3.217 1.204 1.00 0.00 H new ATOM 0 HG12 VAL A 43 12.223 3.325 -0.342 1.00 0.00 H new ATOM 0 HG13 VAL A 43 12.451 1.909 0.712 1.00 0.00 H new ATOM 0 HG21 VAL A 43 12.545 3.527 3.340 1.00 0.00 H new ATOM 0 HG22 VAL A 43 13.701 2.232 2.943 1.00 0.00 H new ATOM 0 HG23 VAL A 43 14.293 3.859 3.354 1.00 0.00 H new ATOM 648 N SER A 44 16.080 1.515 1.506 1.00 0.00 N ATOM 649 CA SER A 44 16.448 0.112 1.658 1.00 0.00 C ATOM 650 C SER A 44 15.440 -0.625 2.536 1.00 0.00 C ATOM 651 O SER A 44 14.759 -0.017 3.360 1.00 0.00 O ATOM 652 CB SER A 44 17.848 -0.008 2.259 1.00 0.00 C ATOM 653 OG SER A 44 18.682 1.053 1.826 1.00 0.00 O ATOM 0 H SER A 44 16.680 2.166 2.012 1.00 0.00 H new ATOM 0 HA SER A 44 16.444 -0.346 0.669 1.00 0.00 H new ATOM 0 HB2 SER A 44 17.782 -0.002 3.347 1.00 0.00 H new ATOM 0 HB3 SER A 44 18.290 -0.962 1.972 1.00 0.00 H new ATOM 0 HG SER A 44 18.976 0.884 0.907 1.00 0.00 H new ATOM 659 N VAL A 45 15.357 -1.939 2.354 1.00 0.00 N ATOM 660 CA VAL A 45 14.439 -2.763 3.128 1.00 0.00 C ATOM 661 C VAL A 45 14.750 -2.667 4.619 1.00 0.00 C ATOM 662 O VAL A 45 13.853 -2.752 5.458 1.00 0.00 O ATOM 663 CB VAL A 45 14.514 -4.242 2.695 1.00 0.00 C ATOM 664 CG1 VAL A 45 13.537 -5.091 3.488 1.00 0.00 C ATOM 665 CG2 VAL A 45 14.256 -4.379 1.203 1.00 0.00 C ATOM 0 H VAL A 45 15.916 -2.456 1.675 1.00 0.00 H new ATOM 0 HA VAL A 45 13.433 -2.387 2.940 1.00 0.00 H new ATOM 0 HB VAL A 45 15.521 -4.603 2.903 1.00 0.00 H new ATOM 0 HG11 VAL A 45 13.610 -6.129 3.163 1.00 0.00 H new ATOM 0 HG12 VAL A 45 13.776 -5.025 4.549 1.00 0.00 H new ATOM 0 HG13 VAL A 45 12.522 -4.729 3.322 1.00 0.00 H new ATOM 0 HG21 VAL A 45 14.314 -5.430 0.919 1.00 0.00 H new ATOM 0 HG22 VAL A 45 13.264 -3.993 0.968 1.00 0.00 H new ATOM 0 HG23 VAL A 45 15.005 -3.812 0.651 1.00 0.00 H new ATOM 675 N GLU A 46 16.027 -2.494 4.939 1.00 0.00 N ATOM 676 CA GLU A 46 16.464 -2.390 6.326 1.00 0.00 C ATOM 677 C GLU A 46 15.901 -1.135 6.984 1.00 0.00 C ATOM 678 O GLU A 46 15.154 -1.215 7.959 1.00 0.00 O ATOM 679 CB GLU A 46 17.993 -2.378 6.401 1.00 0.00 C ATOM 680 CG GLU A 46 18.658 -3.364 5.452 1.00 0.00 C ATOM 681 CD GLU A 46 19.509 -4.390 6.176 1.00 0.00 C ATOM 682 OE1 GLU A 46 19.161 -4.746 7.322 1.00 0.00 O ATOM 683 OE2 GLU A 46 20.523 -4.835 5.598 1.00 0.00 O ATOM 0 H GLU A 46 16.780 -2.423 4.255 1.00 0.00 H new ATOM 0 HA GLU A 46 16.087 -3.259 6.865 1.00 0.00 H new ATOM 0 HB2 GLU A 46 18.351 -1.373 6.177 1.00 0.00 H new ATOM 0 HB3 GLU A 46 18.300 -2.606 7.422 1.00 0.00 H new ATOM 0 HG2 GLU A 46 17.891 -3.878 4.873 1.00 0.00 H new ATOM 0 HG3 GLU A 46 19.280 -2.817 4.743 1.00 0.00 H new ATOM 690 N GLU A 47 16.263 0.025 6.444 1.00 0.00 N ATOM 691 CA GLU A 47 15.794 1.299 6.979 1.00 0.00 C ATOM 692 C GLU A 47 14.270 1.360 6.983 1.00 0.00 C ATOM 693 O GLU A 47 13.668 2.011 7.835 1.00 0.00 O ATOM 694 CB GLU A 47 16.360 2.459 6.160 1.00 0.00 C ATOM 695 CG GLU A 47 16.363 3.784 6.905 1.00 0.00 C ATOM 696 CD GLU A 47 16.939 4.916 6.078 1.00 0.00 C ATOM 697 OE1 GLU A 47 18.168 5.125 6.132 1.00 0.00 O ATOM 698 OE2 GLU A 47 16.160 5.594 5.375 1.00 0.00 O ATOM 0 H GLU A 47 16.880 0.109 5.636 1.00 0.00 H new ATOM 0 HA GLU A 47 16.145 1.384 8.007 1.00 0.00 H new ATOM 0 HB2 GLU A 47 17.380 2.218 5.860 1.00 0.00 H new ATOM 0 HB3 GLU A 47 15.776 2.567 5.246 1.00 0.00 H new ATOM 0 HG2 GLU A 47 15.343 4.035 7.197 1.00 0.00 H new ATOM 0 HG3 GLU A 47 16.941 3.679 7.823 1.00 0.00 H new ATOM 705 N PHE A 48 13.655 0.678 6.023 1.00 0.00 N ATOM 706 CA PHE A 48 12.201 0.655 5.913 1.00 0.00 C ATOM 707 C PHE A 48 11.568 0.028 7.153 1.00 0.00 C ATOM 708 O PHE A 48 10.547 0.504 7.648 1.00 0.00 O ATOM 709 CB PHE A 48 11.779 -0.119 4.662 1.00 0.00 C ATOM 710 CG PHE A 48 10.774 0.609 3.813 1.00 0.00 C ATOM 711 CD1 PHE A 48 9.694 1.253 4.394 1.00 0.00 C ATOM 712 CD2 PHE A 48 10.912 0.647 2.436 1.00 0.00 C ATOM 713 CE1 PHE A 48 8.769 1.923 3.614 1.00 0.00 C ATOM 714 CE2 PHE A 48 9.991 1.314 1.651 1.00 0.00 C ATOM 715 CZ PHE A 48 8.918 1.953 2.243 1.00 0.00 C ATOM 0 H PHE A 48 14.141 0.134 5.310 1.00 0.00 H new ATOM 0 HA PHE A 48 11.851 1.684 5.833 1.00 0.00 H new ATOM 0 HB2 PHE A 48 12.663 -0.332 4.061 1.00 0.00 H new ATOM 0 HB3 PHE A 48 11.360 -1.079 4.963 1.00 0.00 H new ATOM 0 HD1 PHE A 48 9.573 1.232 5.467 1.00 0.00 H new ATOM 0 HD2 PHE A 48 11.750 0.149 1.970 1.00 0.00 H new ATOM 0 HE1 PHE A 48 7.931 2.422 4.078 1.00 0.00 H new ATOM 0 HE2 PHE A 48 10.109 1.336 0.578 1.00 0.00 H new ATOM 0 HZ PHE A 48 8.197 2.476 1.632 1.00 0.00 H new ATOM 725 N ARG A 49 12.182 -1.041 7.649 1.00 0.00 N ATOM 726 CA ARG A 49 11.680 -1.732 8.831 1.00 0.00 C ATOM 727 C ARG A 49 11.614 -0.790 10.027 1.00 0.00 C ATOM 728 O ARG A 49 10.578 -0.678 10.686 1.00 0.00 O ATOM 729 CB ARG A 49 12.568 -2.933 9.162 1.00 0.00 C ATOM 730 CG ARG A 49 12.501 -4.044 8.127 1.00 0.00 C ATOM 731 CD ARG A 49 13.810 -4.812 8.052 1.00 0.00 C ATOM 732 NE ARG A 49 13.807 -5.796 6.972 1.00 0.00 N ATOM 733 CZ ARG A 49 14.849 -6.566 6.666 1.00 0.00 C ATOM 734 NH1 ARG A 49 15.980 -6.468 7.354 1.00 0.00 N ATOM 735 NH2 ARG A 49 14.760 -7.436 5.669 1.00 0.00 N ATOM 0 H ARG A 49 13.028 -1.448 7.251 1.00 0.00 H new ATOM 0 HA ARG A 49 10.671 -2.083 8.613 1.00 0.00 H new ATOM 0 HB2 ARG A 49 13.600 -2.596 9.255 1.00 0.00 H new ATOM 0 HB3 ARG A 49 12.275 -3.334 10.132 1.00 0.00 H new ATOM 0 HG2 ARG A 49 11.690 -4.728 8.377 1.00 0.00 H new ATOM 0 HG3 ARG A 49 12.270 -3.620 7.150 1.00 0.00 H new ATOM 0 HD2 ARG A 49 14.632 -4.113 7.903 1.00 0.00 H new ATOM 0 HD3 ARG A 49 13.989 -5.317 9.001 1.00 0.00 H new ATOM 0 HE ARG A 49 12.956 -5.899 6.420 1.00 0.00 H new ATOM 0 HH11 ARG A 49 16.054 -5.800 8.121 1.00 0.00 H new ATOM 0 HH12 ARG A 49 16.775 -7.060 7.115 1.00 0.00 H new ATOM 0 HH21 ARG A 49 13.893 -7.515 5.137 1.00 0.00 H new ATOM 0 HH22 ARG A 49 15.558 -8.026 5.434 1.00 0.00 H new ATOM 749 N GLY A 50 12.724 -0.112 10.304 1.00 0.00 N ATOM 750 CA GLY A 50 12.770 0.813 11.423 1.00 0.00 C ATOM 751 C GLY A 50 11.689 1.874 11.344 1.00 0.00 C ATOM 752 O GLY A 50 11.271 2.421 12.365 1.00 0.00 O ATOM 0 H GLY A 50 13.592 -0.186 9.774 1.00 0.00 H new ATOM 0 HA2 GLY A 50 12.662 0.257 12.354 1.00 0.00 H new ATOM 0 HA3 GLY A 50 13.747 1.296 11.451 1.00 0.00 H new ATOM 756 N ILE A 51 11.237 2.166 10.129 1.00 0.00 N ATOM 757 CA ILE A 51 10.199 3.167 9.920 1.00 0.00 C ATOM 758 C ILE A 51 8.813 2.575 10.151 1.00 0.00 C ATOM 759 O ILE A 51 7.972 3.177 10.819 1.00 0.00 O ATOM 760 CB ILE A 51 10.265 3.755 8.495 1.00 0.00 C ATOM 761 CG1 ILE A 51 11.681 4.243 8.187 1.00 0.00 C ATOM 762 CG2 ILE A 51 9.263 4.891 8.340 1.00 0.00 C ATOM 763 CD1 ILE A 51 12.030 4.194 6.716 1.00 0.00 C ATOM 0 H ILE A 51 11.574 1.723 9.274 1.00 0.00 H new ATOM 0 HA ILE A 51 10.376 3.964 10.642 1.00 0.00 H new ATOM 0 HB ILE A 51 10.007 2.971 7.784 1.00 0.00 H new ATOM 0 HG12 ILE A 51 11.789 5.267 8.544 1.00 0.00 H new ATOM 0 HG13 ILE A 51 12.395 3.635 8.742 1.00 0.00 H new ATOM 0 HG21 ILE A 51 9.323 5.294 7.329 1.00 0.00 H new ATOM 0 HG22 ILE A 51 8.256 4.515 8.521 1.00 0.00 H new ATOM 0 HG23 ILE A 51 9.491 5.678 9.058 1.00 0.00 H new ATOM 0 HD11 ILE A 51 13.048 4.554 6.571 1.00 0.00 H new ATOM 0 HD12 ILE A 51 11.954 3.167 6.358 1.00 0.00 H new ATOM 0 HD13 ILE A 51 11.339 4.825 6.157 1.00 0.00 H new ATOM 775 N ILE A 52 8.581 1.391 9.593 1.00 0.00 N ATOM 776 CA ILE A 52 7.296 0.717 9.738 1.00 0.00 C ATOM 777 C ILE A 52 7.073 0.255 11.176 1.00 0.00 C ATOM 778 O ILE A 52 5.935 0.152 11.636 1.00 0.00 O ATOM 779 CB ILE A 52 7.191 -0.500 8.796 1.00 0.00 C ATOM 780 CG1 ILE A 52 7.393 -0.064 7.344 1.00 0.00 C ATOM 781 CG2 ILE A 52 5.844 -1.189 8.962 1.00 0.00 C ATOM 782 CD1 ILE A 52 6.287 0.826 6.822 1.00 0.00 C ATOM 0 H ILE A 52 9.266 0.879 9.037 1.00 0.00 H new ATOM 0 HA ILE A 52 6.527 1.442 9.471 1.00 0.00 H new ATOM 0 HB ILE A 52 7.974 -1.211 9.059 1.00 0.00 H new ATOM 0 HG12 ILE A 52 8.343 0.464 7.260 1.00 0.00 H new ATOM 0 HG13 ILE A 52 7.464 -0.950 6.713 1.00 0.00 H new ATOM 0 HG21 ILE A 52 5.788 -2.045 8.290 1.00 0.00 H new ATOM 0 HG22 ILE A 52 5.733 -1.529 9.992 1.00 0.00 H new ATOM 0 HG23 ILE A 52 5.045 -0.487 8.724 1.00 0.00 H new ATOM 0 HD11 ILE A 52 6.496 1.097 5.787 1.00 0.00 H new ATOM 0 HD12 ILE A 52 5.337 0.294 6.874 1.00 0.00 H new ATOM 0 HD13 ILE A 52 6.230 1.730 7.429 1.00 0.00 H new ATOM 794 N ARG A 53 8.165 -0.023 11.883 1.00 0.00 N ATOM 795 CA ARG A 53 8.084 -0.475 13.270 1.00 0.00 C ATOM 796 C ARG A 53 7.159 0.424 14.087 1.00 0.00 C ATOM 797 O ARG A 53 6.151 -0.032 14.627 1.00 0.00 O ATOM 798 CB ARG A 53 9.478 -0.497 13.902 1.00 0.00 C ATOM 799 CG ARG A 53 9.651 -1.581 14.954 1.00 0.00 C ATOM 800 CD ARG A 53 11.087 -1.657 15.444 1.00 0.00 C ATOM 801 NE ARG A 53 11.362 -0.673 16.488 1.00 0.00 N ATOM 802 CZ ARG A 53 12.565 -0.477 17.025 1.00 0.00 C ATOM 803 NH1 ARG A 53 13.605 -1.193 16.619 1.00 0.00 N ATOM 804 NH2 ARG A 53 12.728 0.440 17.968 1.00 0.00 N ATOM 0 H ARG A 53 9.115 0.056 11.520 1.00 0.00 H new ATOM 0 HA ARG A 53 7.673 -1.484 13.272 1.00 0.00 H new ATOM 0 HB2 ARG A 53 10.221 -0.641 13.118 1.00 0.00 H new ATOM 0 HB3 ARG A 53 9.678 0.474 14.356 1.00 0.00 H new ATOM 0 HG2 ARG A 53 8.988 -1.381 15.796 1.00 0.00 H new ATOM 0 HG3 ARG A 53 9.356 -2.544 14.537 1.00 0.00 H new ATOM 0 HD2 ARG A 53 11.287 -2.658 15.827 1.00 0.00 H new ATOM 0 HD3 ARG A 53 11.765 -1.495 14.606 1.00 0.00 H new ATOM 0 HE ARG A 53 10.587 -0.102 16.826 1.00 0.00 H new ATOM 0 HH11 ARG A 53 13.486 -1.898 15.892 1.00 0.00 H new ATOM 0 HH12 ARG A 53 14.524 -1.038 17.034 1.00 0.00 H new ATOM 0 HH21 ARG A 53 11.932 0.995 18.282 1.00 0.00 H new ATOM 0 HH22 ARG A 53 13.649 0.590 18.379 1.00 0.00 H new ATOM 818 N ASP A 54 7.507 1.703 14.166 1.00 0.00 N ATOM 819 CA ASP A 54 6.707 2.670 14.913 1.00 0.00 C ATOM 820 C ASP A 54 6.044 3.677 13.975 1.00 0.00 C ATOM 821 O ASP A 54 5.564 4.721 14.416 1.00 0.00 O ATOM 822 CB ASP A 54 7.581 3.403 15.933 1.00 0.00 C ATOM 823 CG ASP A 54 7.964 2.523 17.104 1.00 0.00 C ATOM 824 OD1 ASP A 54 8.798 1.613 16.916 1.00 0.00 O ATOM 825 OD2 ASP A 54 7.430 2.743 18.212 1.00 0.00 O ATOM 0 H ASP A 54 8.337 2.096 13.723 1.00 0.00 H new ATOM 0 HA ASP A 54 5.923 2.125 15.438 1.00 0.00 H new ATOM 0 HB2 ASP A 54 8.485 3.762 15.441 1.00 0.00 H new ATOM 0 HB3 ASP A 54 7.048 4.280 16.300 1.00 0.00 H new ATOM 830 N GLY A 55 6.023 3.365 12.680 1.00 0.00 N ATOM 831 CA GLY A 55 5.418 4.262 11.714 1.00 0.00 C ATOM 832 C GLY A 55 3.990 3.885 11.378 1.00 0.00 C ATOM 833 O GLY A 55 3.046 4.406 11.972 1.00 0.00 O ATOM 0 H GLY A 55 6.414 2.509 12.286 1.00 0.00 H new ATOM 0 HA2 GLY A 55 5.438 5.279 12.107 1.00 0.00 H new ATOM 0 HA3 GLY A 55 6.014 4.261 10.801 1.00 0.00 H new ATOM 837 N LEU A 56 3.828 2.979 10.419 1.00 0.00 N ATOM 838 CA LEU A 56 2.504 2.536 10.000 1.00 0.00 C ATOM 839 C LEU A 56 2.209 1.125 10.509 1.00 0.00 C ATOM 840 O LEU A 56 3.106 0.286 10.584 1.00 0.00 O ATOM 841 CB LEU A 56 2.390 2.571 8.476 1.00 0.00 C ATOM 842 CG LEU A 56 2.922 3.845 7.815 1.00 0.00 C ATOM 843 CD1 LEU A 56 4.383 3.677 7.431 1.00 0.00 C ATOM 844 CD2 LEU A 56 2.085 4.200 6.593 1.00 0.00 C ATOM 0 H LEU A 56 4.598 2.537 9.917 1.00 0.00 H new ATOM 0 HA LEU A 56 1.771 3.218 10.431 1.00 0.00 H new ATOM 0 HB2 LEU A 56 2.928 1.716 8.067 1.00 0.00 H new ATOM 0 HB3 LEU A 56 1.342 2.449 8.202 1.00 0.00 H new ATOM 0 HG LEU A 56 2.848 4.662 8.532 1.00 0.00 H new ATOM 0 HD11 LEU A 56 4.744 4.593 6.963 1.00 0.00 H new ATOM 0 HD12 LEU A 56 4.972 3.470 8.324 1.00 0.00 H new ATOM 0 HD13 LEU A 56 4.482 2.848 6.731 1.00 0.00 H new ATOM 0 HD21 LEU A 56 2.477 5.108 6.135 1.00 0.00 H new ATOM 0 HD22 LEU A 56 2.128 3.383 5.873 1.00 0.00 H new ATOM 0 HD23 LEU A 56 1.051 4.363 6.895 1.00 0.00 H new ATOM 856 N PRO A 57 0.942 0.846 10.861 1.00 0.00 N ATOM 857 CA PRO A 57 0.535 -0.469 11.360 1.00 0.00 C ATOM 858 C PRO A 57 0.415 -1.496 10.244 1.00 0.00 C ATOM 859 O PRO A 57 -0.455 -1.394 9.378 1.00 0.00 O ATOM 860 CB PRO A 57 -0.830 -0.194 11.988 1.00 0.00 C ATOM 861 CG PRO A 57 -1.377 0.949 11.205 1.00 0.00 C ATOM 862 CD PRO A 57 -0.192 1.789 10.801 1.00 0.00 C ATOM 0 HA PRO A 57 1.262 -0.891 12.054 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -1.480 -1.067 11.923 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -0.738 0.057 13.045 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -1.920 0.596 10.329 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -2.080 1.529 11.803 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -0.317 2.202 9.800 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -0.049 2.631 11.478 1.00 0.00 H new ATOM 870 N MET A 58 1.296 -2.488 10.272 1.00 0.00 N ATOM 871 CA MET A 58 1.296 -3.539 9.265 1.00 0.00 C ATOM 872 C MET A 58 1.875 -4.831 9.832 1.00 0.00 C ATOM 873 O MET A 58 2.869 -4.810 10.558 1.00 0.00 O ATOM 874 CB MET A 58 2.099 -3.096 8.039 1.00 0.00 C ATOM 875 CG MET A 58 1.284 -3.052 6.756 1.00 0.00 C ATOM 876 SD MET A 58 2.140 -2.196 5.418 1.00 0.00 S ATOM 877 CE MET A 58 2.769 -3.582 4.471 1.00 0.00 C ATOM 0 H MET A 58 2.021 -2.586 10.983 1.00 0.00 H new ATOM 0 HA MET A 58 0.265 -3.726 8.965 1.00 0.00 H new ATOM 0 HB2 MET A 58 2.517 -2.107 8.228 1.00 0.00 H new ATOM 0 HB3 MET A 58 2.940 -3.776 7.902 1.00 0.00 H new ATOM 0 HG2 MET A 58 1.053 -4.070 6.442 1.00 0.00 H new ATOM 0 HG3 MET A 58 0.334 -2.555 6.951 1.00 0.00 H new ATOM 0 HE1 MET A 58 3.439 -3.217 3.693 1.00 0.00 H new ATOM 0 HE2 MET A 58 3.314 -4.257 5.131 1.00 0.00 H new ATOM 0 HE3 MET A 58 1.937 -4.117 4.012 1.00 0.00 H new ATOM 887 N THR A 59 1.253 -5.951 9.487 1.00 0.00 N ATOM 888 CA THR A 59 1.713 -7.255 9.955 1.00 0.00 C ATOM 889 C THR A 59 2.939 -7.704 9.167 1.00 0.00 C ATOM 890 O THR A 59 3.072 -7.395 7.983 1.00 0.00 O ATOM 891 CB THR A 59 0.599 -8.297 9.824 1.00 0.00 C ATOM 892 OG1 THR A 59 -0.403 -7.853 8.924 1.00 0.00 O ATOM 893 CG2 THR A 59 -0.075 -8.620 11.140 1.00 0.00 C ATOM 0 H THR A 59 0.430 -5.984 8.886 1.00 0.00 H new ATOM 0 HA THR A 59 1.985 -7.162 11.006 1.00 0.00 H new ATOM 0 HB THR A 59 1.089 -9.198 9.454 1.00 0.00 H new ATOM 0 HG1 THR A 59 -0.572 -8.548 8.254 1.00 0.00 H new ATOM 0 HG21 THR A 59 -0.854 -9.365 10.977 1.00 0.00 H new ATOM 0 HG22 THR A 59 0.662 -9.014 11.839 1.00 0.00 H new ATOM 0 HG23 THR A 59 -0.519 -7.714 11.553 1.00 0.00 H new ATOM 901 N GLU A 60 3.830 -8.443 9.829 1.00 0.00 N ATOM 902 CA GLU A 60 5.050 -8.948 9.196 1.00 0.00 C ATOM 903 C GLU A 60 4.779 -9.385 7.768 1.00 0.00 C ATOM 904 O GLU A 60 5.453 -8.965 6.836 1.00 0.00 O ATOM 905 CB GLU A 60 5.603 -10.132 9.989 1.00 0.00 C ATOM 906 CG GLU A 60 4.536 -11.122 10.436 1.00 0.00 C ATOM 907 CD GLU A 60 4.731 -11.580 11.867 1.00 0.00 C ATOM 908 OE1 GLU A 60 5.883 -11.551 12.350 1.00 0.00 O ATOM 909 OE2 GLU A 60 3.731 -11.969 12.507 1.00 0.00 O ATOM 0 H GLU A 60 3.729 -8.707 10.809 1.00 0.00 H new ATOM 0 HA GLU A 60 5.782 -8.140 9.184 1.00 0.00 H new ATOM 0 HB2 GLU A 60 6.338 -10.655 9.378 1.00 0.00 H new ATOM 0 HB3 GLU A 60 6.128 -9.756 10.867 1.00 0.00 H new ATOM 0 HG2 GLU A 60 3.553 -10.661 10.336 1.00 0.00 H new ATOM 0 HG3 GLU A 60 4.550 -11.989 9.776 1.00 0.00 H new ATOM 916 N ALA A 61 3.775 -10.227 7.614 1.00 0.00 N ATOM 917 CA ALA A 61 3.379 -10.733 6.311 1.00 0.00 C ATOM 918 C ALA A 61 3.289 -9.600 5.295 1.00 0.00 C ATOM 919 O ALA A 61 3.943 -9.634 4.261 1.00 0.00 O ATOM 920 CB ALA A 61 2.052 -11.460 6.424 1.00 0.00 C ATOM 0 H ALA A 61 3.211 -10.580 8.387 1.00 0.00 H new ATOM 0 HA ALA A 61 4.136 -11.435 5.962 1.00 0.00 H new ATOM 0 HB1 ALA A 61 1.759 -11.838 5.444 1.00 0.00 H new ATOM 0 HB2 ALA A 61 2.152 -12.294 7.119 1.00 0.00 H new ATOM 0 HB3 ALA A 61 1.290 -10.772 6.790 1.00 0.00 H new ATOM 926 N GLU A 62 2.486 -8.588 5.606 1.00 0.00 N ATOM 927 CA GLU A 62 2.336 -7.442 4.707 1.00 0.00 C ATOM 928 C GLU A 62 3.706 -6.884 4.344 1.00 0.00 C ATOM 929 O GLU A 62 4.103 -6.889 3.179 1.00 0.00 O ATOM 930 CB GLU A 62 1.488 -6.329 5.340 1.00 0.00 C ATOM 931 CG GLU A 62 0.533 -6.800 6.422 1.00 0.00 C ATOM 932 CD GLU A 62 -0.333 -7.961 5.974 1.00 0.00 C ATOM 933 OE1 GLU A 62 -1.112 -7.784 5.014 1.00 0.00 O ATOM 934 OE2 GLU A 62 -0.231 -9.047 6.584 1.00 0.00 O ATOM 0 H GLU A 62 1.934 -8.534 6.462 1.00 0.00 H new ATOM 0 HA GLU A 62 1.824 -7.793 3.811 1.00 0.00 H new ATOM 0 HB2 GLU A 62 2.155 -5.579 5.764 1.00 0.00 H new ATOM 0 HB3 GLU A 62 0.913 -5.837 4.555 1.00 0.00 H new ATOM 0 HG2 GLU A 62 1.105 -7.097 7.301 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -0.106 -5.970 6.723 1.00 0.00 H new ATOM 941 N ILE A 63 4.424 -6.413 5.356 1.00 0.00 N ATOM 942 CA ILE A 63 5.762 -5.854 5.156 1.00 0.00 C ATOM 943 C ILE A 63 6.700 -6.879 4.533 1.00 0.00 C ATOM 944 O ILE A 63 7.195 -6.690 3.425 1.00 0.00 O ATOM 945 CB ILE A 63 6.388 -5.370 6.479 1.00 0.00 C ATOM 946 CG1 ILE A 63 5.345 -4.680 7.353 1.00 0.00 C ATOM 947 CG2 ILE A 63 7.553 -4.433 6.201 1.00 0.00 C ATOM 948 CD1 ILE A 63 4.885 -5.542 8.500 1.00 0.00 C ATOM 0 H ILE A 63 4.105 -6.405 6.325 1.00 0.00 H new ATOM 0 HA ILE A 63 5.638 -5.004 4.485 1.00 0.00 H new ATOM 0 HB ILE A 63 6.761 -6.240 7.019 1.00 0.00 H new ATOM 0 HG12 ILE A 63 5.762 -3.753 7.745 1.00 0.00 H new ATOM 0 HG13 ILE A 63 4.485 -4.409 6.740 1.00 0.00 H new ATOM 0 HG21 ILE A 63 7.985 -4.099 7.145 1.00 0.00 H new ATOM 0 HG22 ILE A 63 8.311 -4.958 5.620 1.00 0.00 H new ATOM 0 HG23 ILE A 63 7.199 -3.569 5.639 1.00 0.00 H new ATOM 0 HD11 ILE A 63 4.144 -5.000 9.088 1.00 0.00 H new ATOM 0 HD12 ILE A 63 4.441 -6.458 8.111 1.00 0.00 H new ATOM 0 HD13 ILE A 63 5.737 -5.792 9.132 1.00 0.00 H new ATOM 960 N THR A 64 6.940 -7.961 5.262 1.00 0.00 N ATOM 961 CA THR A 64 7.822 -9.032 4.808 1.00 0.00 C ATOM 962 C THR A 64 7.479 -9.474 3.391 1.00 0.00 C ATOM 963 O THR A 64 8.348 -9.522 2.520 1.00 0.00 O ATOM 964 CB THR A 64 7.714 -10.225 5.749 1.00 0.00 C ATOM 965 OG1 THR A 64 8.151 -9.880 7.051 1.00 0.00 O ATOM 966 CG2 THR A 64 8.513 -11.427 5.295 1.00 0.00 C ATOM 0 H THR A 64 6.531 -8.122 6.182 1.00 0.00 H new ATOM 0 HA THR A 64 8.842 -8.647 4.810 1.00 0.00 H new ATOM 0 HB THR A 64 6.658 -10.495 5.747 1.00 0.00 H new ATOM 0 HG1 THR A 64 7.427 -9.424 7.529 1.00 0.00 H new ATOM 0 HG21 THR A 64 8.389 -12.238 6.012 1.00 0.00 H new ATOM 0 HG22 THR A 64 8.159 -11.751 4.316 1.00 0.00 H new ATOM 0 HG23 THR A 64 9.567 -11.159 5.229 1.00 0.00 H new ATOM 974 N GLU A 65 6.209 -9.795 3.161 1.00 0.00 N ATOM 975 CA GLU A 65 5.776 -10.232 1.838 1.00 0.00 C ATOM 976 C GLU A 65 5.915 -9.106 0.839 1.00 0.00 C ATOM 977 O GLU A 65 5.896 -9.312 -0.375 1.00 0.00 O ATOM 978 CB GLU A 65 4.335 -10.736 1.860 1.00 0.00 C ATOM 979 CG GLU A 65 4.111 -11.904 2.808 1.00 0.00 C ATOM 980 CD GLU A 65 4.140 -13.244 2.099 1.00 0.00 C ATOM 981 OE1 GLU A 65 3.084 -13.662 1.580 1.00 0.00 O ATOM 982 OE2 GLU A 65 5.218 -13.873 2.063 1.00 0.00 O ATOM 0 H GLU A 65 5.470 -9.762 3.864 1.00 0.00 H new ATOM 0 HA GLU A 65 6.419 -11.059 1.537 1.00 0.00 H new ATOM 0 HB2 GLU A 65 3.677 -9.916 2.146 1.00 0.00 H new ATOM 0 HB3 GLU A 65 4.049 -11.037 0.852 1.00 0.00 H new ATOM 0 HG2 GLU A 65 4.877 -11.890 3.583 1.00 0.00 H new ATOM 0 HG3 GLU A 65 3.150 -11.782 3.308 1.00 0.00 H new ATOM 989 N PHE A 66 6.069 -7.921 1.375 1.00 0.00 N ATOM 990 CA PHE A 66 6.234 -6.729 0.568 1.00 0.00 C ATOM 991 C PHE A 66 7.714 -6.393 0.409 1.00 0.00 C ATOM 992 O PHE A 66 8.113 -5.742 -0.557 1.00 0.00 O ATOM 993 CB PHE A 66 5.491 -5.543 1.191 1.00 0.00 C ATOM 994 CG PHE A 66 4.035 -5.474 0.816 1.00 0.00 C ATOM 995 CD1 PHE A 66 3.305 -6.631 0.588 1.00 0.00 C ATOM 996 CD2 PHE A 66 3.397 -4.251 0.693 1.00 0.00 C ATOM 997 CE1 PHE A 66 1.967 -6.568 0.246 1.00 0.00 C ATOM 998 CE2 PHE A 66 2.060 -4.181 0.351 1.00 0.00 C ATOM 999 CZ PHE A 66 1.344 -5.340 0.127 1.00 0.00 C ATOM 0 H PHE A 66 6.084 -7.751 2.381 1.00 0.00 H new ATOM 0 HA PHE A 66 5.809 -6.926 -0.416 1.00 0.00 H new ATOM 0 HB2 PHE A 66 5.575 -5.603 2.276 1.00 0.00 H new ATOM 0 HB3 PHE A 66 5.980 -4.618 0.884 1.00 0.00 H new ATOM 0 HD1 PHE A 66 3.788 -7.593 0.679 1.00 0.00 H new ATOM 0 HD2 PHE A 66 3.951 -3.341 0.867 1.00 0.00 H new ATOM 0 HE1 PHE A 66 1.410 -7.477 0.072 1.00 0.00 H new ATOM 0 HE2 PHE A 66 1.575 -3.220 0.259 1.00 0.00 H new ATOM 0 HZ PHE A 66 0.299 -5.287 -0.141 1.00 0.00 H new ATOM 1009 N PHE A 67 8.526 -6.845 1.363 1.00 0.00 N ATOM 1010 CA PHE A 67 9.962 -6.594 1.329 1.00 0.00 C ATOM 1011 C PHE A 67 10.647 -7.503 0.316 1.00 0.00 C ATOM 1012 O PHE A 67 11.658 -7.134 -0.279 1.00 0.00 O ATOM 1013 CB PHE A 67 10.572 -6.814 2.717 1.00 0.00 C ATOM 1014 CG PHE A 67 10.549 -5.602 3.614 1.00 0.00 C ATOM 1015 CD1 PHE A 67 10.604 -4.315 3.092 1.00 0.00 C ATOM 1016 CD2 PHE A 67 10.477 -5.758 4.989 1.00 0.00 C ATOM 1017 CE1 PHE A 67 10.585 -3.214 3.928 1.00 0.00 C ATOM 1018 CE2 PHE A 67 10.460 -4.660 5.827 1.00 0.00 C ATOM 1019 CZ PHE A 67 10.512 -3.388 5.297 1.00 0.00 C ATOM 0 H PHE A 67 8.212 -7.387 2.168 1.00 0.00 H new ATOM 0 HA PHE A 67 10.118 -5.558 1.029 1.00 0.00 H new ATOM 0 HB2 PHE A 67 10.036 -7.625 3.210 1.00 0.00 H new ATOM 0 HB3 PHE A 67 11.605 -7.141 2.597 1.00 0.00 H new ATOM 0 HD1 PHE A 67 10.662 -4.174 2.023 1.00 0.00 H new ATOM 0 HD2 PHE A 67 10.434 -6.751 5.411 1.00 0.00 H new ATOM 0 HE1 PHE A 67 10.627 -2.218 3.511 1.00 0.00 H new ATOM 0 HE2 PHE A 67 10.406 -4.798 6.897 1.00 0.00 H new ATOM 0 HZ PHE A 67 10.496 -2.529 5.951 1.00 0.00 H new ATOM 1029 N GLU A 68 10.090 -8.696 0.128 1.00 0.00 N ATOM 1030 CA GLU A 68 10.649 -9.662 -0.812 1.00 0.00 C ATOM 1031 C GLU A 68 9.984 -9.544 -2.182 1.00 0.00 C ATOM 1032 O GLU A 68 10.584 -9.880 -3.202 1.00 0.00 O ATOM 1033 CB GLU A 68 10.483 -11.085 -0.273 1.00 0.00 C ATOM 1034 CG GLU A 68 9.079 -11.387 0.227 1.00 0.00 C ATOM 1035 CD GLU A 68 8.602 -12.769 -0.172 1.00 0.00 C ATOM 1036 OE1 GLU A 68 8.325 -12.979 -1.372 1.00 0.00 O ATOM 1037 OE2 GLU A 68 8.509 -13.643 0.715 1.00 0.00 O ATOM 0 H GLU A 68 9.252 -9.017 0.614 1.00 0.00 H new ATOM 0 HA GLU A 68 11.711 -9.444 -0.926 1.00 0.00 H new ATOM 0 HB2 GLU A 68 10.740 -11.795 -1.059 1.00 0.00 H new ATOM 0 HB3 GLU A 68 11.191 -11.241 0.541 1.00 0.00 H new ATOM 0 HG2 GLU A 68 9.058 -11.299 1.313 1.00 0.00 H new ATOM 0 HG3 GLU A 68 8.389 -10.641 -0.167 1.00 0.00 H new ATOM 1044 N ALA A 69 8.741 -9.073 -2.195 1.00 0.00 N ATOM 1045 CA ALA A 69 7.996 -8.918 -3.441 1.00 0.00 C ATOM 1046 C ALA A 69 8.341 -7.622 -4.151 1.00 0.00 C ATOM 1047 O ALA A 69 7.969 -7.401 -5.303 1.00 0.00 O ATOM 1048 CB ALA A 69 6.508 -8.979 -3.167 1.00 0.00 C ATOM 0 H ALA A 69 8.229 -8.792 -1.359 1.00 0.00 H new ATOM 0 HA ALA A 69 8.280 -9.739 -4.099 1.00 0.00 H new ATOM 0 HB1 ALA A 69 5.961 -8.862 -4.102 1.00 0.00 H new ATOM 0 HB2 ALA A 69 6.260 -9.941 -2.719 1.00 0.00 H new ATOM 0 HB3 ALA A 69 6.231 -8.177 -2.482 1.00 0.00 H new ATOM 1054 N ALA A 70 9.050 -6.778 -3.445 1.00 0.00 N ATOM 1055 CA ALA A 70 9.469 -5.483 -3.972 1.00 0.00 C ATOM 1056 C ALA A 70 10.866 -5.558 -4.577 1.00 0.00 C ATOM 1057 O ALA A 70 11.166 -4.874 -5.555 1.00 0.00 O ATOM 1058 CB ALA A 70 9.422 -4.428 -2.878 1.00 0.00 C ATOM 0 H ALA A 70 9.358 -6.959 -2.490 1.00 0.00 H new ATOM 0 HA ALA A 70 8.775 -5.202 -4.764 1.00 0.00 H new ATOM 0 HB1 ALA A 70 9.737 -3.467 -3.285 1.00 0.00 H new ATOM 0 HB2 ALA A 70 8.404 -4.344 -2.497 1.00 0.00 H new ATOM 0 HB3 ALA A 70 10.091 -4.715 -2.067 1.00 0.00 H new ATOM 1064 N ASP A 71 11.719 -6.392 -3.990 1.00 0.00 N ATOM 1065 CA ASP A 71 13.085 -6.552 -4.475 1.00 0.00 C ATOM 1066 C ASP A 71 13.281 -7.931 -5.106 1.00 0.00 C ATOM 1067 O ASP A 71 13.058 -8.955 -4.459 1.00 0.00 O ATOM 1068 CB ASP A 71 14.079 -6.348 -3.328 1.00 0.00 C ATOM 1069 CG ASP A 71 13.842 -7.302 -2.172 1.00 0.00 C ATOM 1070 OD1 ASP A 71 12.847 -8.054 -2.216 1.00 0.00 O ATOM 1071 OD2 ASP A 71 14.653 -7.294 -1.222 1.00 0.00 O ATOM 0 H ASP A 71 11.489 -6.966 -3.179 1.00 0.00 H new ATOM 0 HA ASP A 71 13.267 -5.798 -5.241 1.00 0.00 H new ATOM 0 HB2 ASP A 71 15.093 -6.483 -3.703 1.00 0.00 H new ATOM 0 HB3 ASP A 71 14.006 -5.322 -2.968 1.00 0.00 H new ATOM 1076 N PRO A 72 13.698 -7.981 -6.385 1.00 0.00 N ATOM 1077 CA PRO A 72 13.915 -9.247 -7.093 1.00 0.00 C ATOM 1078 C PRO A 72 15.108 -10.024 -6.546 1.00 0.00 C ATOM 1079 O PRO A 72 15.017 -11.226 -6.296 1.00 0.00 O ATOM 1080 CB PRO A 72 14.178 -8.811 -8.536 1.00 0.00 C ATOM 1081 CG PRO A 72 14.687 -7.416 -8.425 1.00 0.00 C ATOM 1082 CD PRO A 72 13.985 -6.814 -7.240 1.00 0.00 C ATOM 0 HA PRO A 72 13.065 -9.921 -6.986 1.00 0.00 H new ATOM 0 HB2 PRO A 72 14.908 -9.461 -9.019 1.00 0.00 H new ATOM 0 HB3 PRO A 72 13.268 -8.854 -9.134 1.00 0.00 H new ATOM 0 HG2 PRO A 72 15.768 -7.405 -8.286 1.00 0.00 H new ATOM 0 HG3 PRO A 72 14.477 -6.850 -9.333 1.00 0.00 H new ATOM 0 HD2 PRO A 72 14.613 -6.085 -6.728 1.00 0.00 H new ATOM 0 HD3 PRO A 72 13.072 -6.297 -7.534 1.00 0.00 H new ATOM 1090 N ASN A 73 16.227 -9.332 -6.363 1.00 0.00 N ATOM 1091 CA ASN A 73 17.439 -9.958 -5.848 1.00 0.00 C ATOM 1092 C ASN A 73 17.268 -10.365 -4.389 1.00 0.00 C ATOM 1093 O ASN A 73 17.873 -11.333 -3.928 1.00 0.00 O ATOM 1094 CB ASN A 73 18.628 -9.005 -5.987 1.00 0.00 C ATOM 1095 CG ASN A 73 18.725 -8.398 -7.373 1.00 0.00 C ATOM 1096 OD1 ASN A 73 19.056 -9.082 -8.341 1.00 0.00 O ATOM 1097 ND2 ASN A 73 18.435 -7.106 -7.474 1.00 0.00 N ATOM 0 H ASN A 73 16.320 -8.336 -6.564 1.00 0.00 H new ATOM 0 HA ASN A 73 17.629 -10.856 -6.435 1.00 0.00 H new ATOM 0 HB2 ASN A 73 18.538 -8.207 -5.250 1.00 0.00 H new ATOM 0 HB3 ASN A 73 19.549 -9.543 -5.764 1.00 0.00 H new ATOM 0 HD21 ASN A 73 18.482 -6.642 -8.381 1.00 0.00 H new ATOM 0 HD22 ASN A 73 18.165 -6.578 -6.644 1.00 0.00 H new ATOM 1104 N ASN A 74 16.446 -9.612 -3.663 1.00 0.00 N ATOM 1105 CA ASN A 74 16.196 -9.880 -2.249 1.00 0.00 C ATOM 1106 C ASN A 74 17.400 -9.472 -1.410 1.00 0.00 C ATOM 1107 O ASN A 74 17.587 -9.954 -0.294 1.00 0.00 O ATOM 1108 CB ASN A 74 15.879 -11.361 -2.021 1.00 0.00 C ATOM 1109 CG ASN A 74 14.908 -11.913 -3.047 1.00 0.00 C ATOM 1110 OD1 ASN A 74 15.310 -12.566 -4.008 1.00 0.00 O ATOM 1111 ND2 ASN A 74 13.623 -11.651 -2.845 1.00 0.00 N ATOM 0 H ASN A 74 15.939 -8.808 -4.033 1.00 0.00 H new ATOM 0 HA ASN A 74 15.332 -9.290 -1.942 1.00 0.00 H new ATOM 0 HB2 ASN A 74 16.804 -11.936 -2.055 1.00 0.00 H new ATOM 0 HB3 ASN A 74 15.460 -11.490 -1.023 1.00 0.00 H new ATOM 0 HD21 ASN A 74 12.923 -11.996 -3.502 1.00 0.00 H new ATOM 0 HD22 ASN A 74 13.335 -11.105 -2.033 1.00 0.00 H new ATOM 1118 N THR A 75 18.215 -8.577 -1.960 1.00 0.00 N ATOM 1119 CA THR A 75 19.401 -8.098 -1.268 1.00 0.00 C ATOM 1120 C THR A 75 19.028 -7.292 -0.029 1.00 0.00 C ATOM 1121 O THR A 75 19.867 -7.040 0.837 1.00 0.00 O ATOM 1122 CB THR A 75 20.255 -7.243 -2.208 1.00 0.00 C ATOM 1123 OG1 THR A 75 21.226 -6.512 -1.480 1.00 0.00 O ATOM 1124 CG2 THR A 75 19.447 -6.251 -3.019 1.00 0.00 C ATOM 0 H THR A 75 18.073 -8.170 -2.884 1.00 0.00 H new ATOM 0 HA THR A 75 19.977 -8.967 -0.950 1.00 0.00 H new ATOM 0 HB THR A 75 20.724 -7.950 -2.892 1.00 0.00 H new ATOM 0 HG1 THR A 75 21.762 -5.973 -2.099 1.00 0.00 H new ATOM 0 HG21 THR A 75 20.114 -5.679 -3.663 1.00 0.00 H new ATOM 0 HG22 THR A 75 18.722 -6.787 -3.632 1.00 0.00 H new ATOM 0 HG23 THR A 75 18.922 -5.573 -2.346 1.00 0.00 H new ATOM 1132 N GLY A 76 17.766 -6.882 0.048 1.00 0.00 N ATOM 1133 CA GLY A 76 17.305 -6.103 1.179 1.00 0.00 C ATOM 1134 C GLY A 76 17.178 -4.631 0.846 1.00 0.00 C ATOM 1135 O GLY A 76 17.195 -3.780 1.735 1.00 0.00 O ATOM 0 H GLY A 76 17.054 -7.077 -0.656 1.00 0.00 H new ATOM 0 HA2 GLY A 76 16.339 -6.483 1.510 1.00 0.00 H new ATOM 0 HA3 GLY A 76 17.999 -6.227 2.011 1.00 0.00 H new ATOM 1139 N PHE A 77 17.043 -4.331 -0.442 1.00 0.00 N ATOM 1140 CA PHE A 77 16.901 -2.955 -0.892 1.00 0.00 C ATOM 1141 C PHE A 77 15.642 -2.799 -1.738 1.00 0.00 C ATOM 1142 O PHE A 77 15.411 -3.567 -2.672 1.00 0.00 O ATOM 1143 CB PHE A 77 18.131 -2.525 -1.695 1.00 0.00 C ATOM 1144 CG PHE A 77 19.303 -2.145 -0.839 1.00 0.00 C ATOM 1145 CD1 PHE A 77 20.233 -3.096 -0.451 1.00 0.00 C ATOM 1146 CD2 PHE A 77 19.478 -0.835 -0.420 1.00 0.00 C ATOM 1147 CE1 PHE A 77 21.314 -2.749 0.339 1.00 0.00 C ATOM 1148 CE2 PHE A 77 20.555 -0.482 0.368 1.00 0.00 C ATOM 1149 CZ PHE A 77 21.474 -1.440 0.748 1.00 0.00 C ATOM 0 H PHE A 77 17.029 -5.024 -1.191 1.00 0.00 H new ATOM 0 HA PHE A 77 16.815 -2.314 -0.015 1.00 0.00 H new ATOM 0 HB2 PHE A 77 18.425 -3.339 -2.358 1.00 0.00 H new ATOM 0 HB3 PHE A 77 17.864 -1.679 -2.328 1.00 0.00 H new ATOM 0 HD1 PHE A 77 20.112 -4.121 -0.769 1.00 0.00 H new ATOM 0 HD2 PHE A 77 18.763 -0.081 -0.714 1.00 0.00 H new ATOM 0 HE1 PHE A 77 22.031 -3.500 0.635 1.00 0.00 H new ATOM 0 HE2 PHE A 77 20.679 0.542 0.687 1.00 0.00 H new ATOM 0 HZ PHE A 77 22.317 -1.166 1.365 1.00 0.00 H new ATOM 1159 N ILE A 78 14.828 -1.807 -1.400 1.00 0.00 N ATOM 1160 CA ILE A 78 13.588 -1.559 -2.124 1.00 0.00 C ATOM 1161 C ILE A 78 13.739 -0.432 -3.132 1.00 0.00 C ATOM 1162 O ILE A 78 14.440 0.549 -2.891 1.00 0.00 O ATOM 1163 CB ILE A 78 12.436 -1.171 -1.168 1.00 0.00 C ATOM 1164 CG1 ILE A 78 12.149 -2.283 -0.172 1.00 0.00 C ATOM 1165 CG2 ILE A 78 11.167 -0.839 -1.945 1.00 0.00 C ATOM 1166 CD1 ILE A 78 11.039 -1.928 0.789 1.00 0.00 C ATOM 0 H ILE A 78 15.004 -1.162 -0.630 1.00 0.00 H new ATOM 0 HA ILE A 78 13.355 -2.492 -2.637 1.00 0.00 H new ATOM 0 HB ILE A 78 12.756 -0.285 -0.620 1.00 0.00 H new ATOM 0 HG12 ILE A 78 11.880 -3.190 -0.713 1.00 0.00 H new ATOM 0 HG13 ILE A 78 13.056 -2.505 0.391 1.00 0.00 H new ATOM 0 HG21 ILE A 78 10.373 -0.570 -1.248 1.00 0.00 H new ATOM 0 HG22 ILE A 78 11.360 -0.002 -2.616 1.00 0.00 H new ATOM 0 HG23 ILE A 78 10.859 -1.708 -2.527 1.00 0.00 H new ATOM 0 HD11 ILE A 78 10.875 -2.757 1.478 1.00 0.00 H new ATOM 0 HD12 ILE A 78 11.317 -1.037 1.352 1.00 0.00 H new ATOM 0 HD13 ILE A 78 10.123 -1.734 0.231 1.00 0.00 H new ATOM 1178 N ASP A 79 13.017 -0.556 -4.236 1.00 0.00 N ATOM 1179 CA ASP A 79 13.004 0.475 -5.251 1.00 0.00 C ATOM 1180 C ASP A 79 11.847 1.413 -4.938 1.00 0.00 C ATOM 1181 O ASP A 79 10.701 1.119 -5.273 1.00 0.00 O ATOM 1182 CB ASP A 79 12.839 -0.133 -6.645 1.00 0.00 C ATOM 1183 CG ASP A 79 14.114 -0.784 -7.145 1.00 0.00 C ATOM 1184 OD1 ASP A 79 14.702 -1.591 -6.396 1.00 0.00 O ATOM 1185 OD2 ASP A 79 14.524 -0.486 -8.286 1.00 0.00 O ATOM 0 H ASP A 79 12.432 -1.365 -4.448 1.00 0.00 H new ATOM 0 HA ASP A 79 13.949 1.018 -5.247 1.00 0.00 H new ATOM 0 HB2 ASP A 79 12.040 -0.874 -6.623 1.00 0.00 H new ATOM 0 HB3 ASP A 79 12.533 0.645 -7.344 1.00 0.00 H new ATOM 1190 N TYR A 80 12.153 2.512 -4.248 1.00 0.00 N ATOM 1191 CA TYR A 80 11.142 3.486 -3.828 1.00 0.00 C ATOM 1192 C TYR A 80 9.943 3.524 -4.774 1.00 0.00 C ATOM 1193 O TYR A 80 8.798 3.610 -4.332 1.00 0.00 O ATOM 1194 CB TYR A 80 11.763 4.880 -3.729 1.00 0.00 C ATOM 1195 CG TYR A 80 10.851 5.905 -3.091 1.00 0.00 C ATOM 1196 CD1 TYR A 80 10.765 6.022 -1.710 1.00 0.00 C ATOM 1197 CD2 TYR A 80 10.078 6.756 -3.872 1.00 0.00 C ATOM 1198 CE1 TYR A 80 9.934 6.957 -1.125 1.00 0.00 C ATOM 1199 CE2 TYR A 80 9.246 7.693 -3.293 1.00 0.00 C ATOM 1200 CZ TYR A 80 9.176 7.791 -1.920 1.00 0.00 C ATOM 1201 OH TYR A 80 8.346 8.722 -1.340 1.00 0.00 O ATOM 0 H TYR A 80 13.103 2.752 -3.965 1.00 0.00 H new ATOM 0 HA TYR A 80 10.780 3.170 -2.850 1.00 0.00 H new ATOM 0 HB2 TYR A 80 12.686 4.818 -3.152 1.00 0.00 H new ATOM 0 HB3 TYR A 80 12.035 5.220 -4.729 1.00 0.00 H new ATOM 0 HD1 TYR A 80 11.357 5.372 -1.084 1.00 0.00 H new ATOM 0 HD2 TYR A 80 10.129 6.683 -4.948 1.00 0.00 H new ATOM 0 HE1 TYR A 80 9.878 7.035 -0.049 1.00 0.00 H new ATOM 0 HE2 TYR A 80 8.652 8.347 -3.914 1.00 0.00 H new ATOM 0 HH TYR A 80 7.884 9.229 -2.040 1.00 0.00 H new ATOM 1211 N LYS A 81 10.209 3.452 -6.075 1.00 0.00 N ATOM 1212 CA LYS A 81 9.139 3.472 -7.065 1.00 0.00 C ATOM 1213 C LYS A 81 8.263 2.232 -6.937 1.00 0.00 C ATOM 1214 O LYS A 81 7.050 2.334 -6.761 1.00 0.00 O ATOM 1215 CB LYS A 81 9.719 3.566 -8.478 1.00 0.00 C ATOM 1216 CG LYS A 81 10.150 4.971 -8.868 1.00 0.00 C ATOM 1217 CD LYS A 81 9.079 5.674 -9.688 1.00 0.00 C ATOM 1218 CE LYS A 81 8.131 6.466 -8.803 1.00 0.00 C ATOM 1219 NZ LYS A 81 6.875 5.716 -8.523 1.00 0.00 N ATOM 0 H LYS A 81 11.149 3.380 -6.465 1.00 0.00 H new ATOM 0 HA LYS A 81 8.522 4.351 -6.881 1.00 0.00 H new ATOM 0 HB2 LYS A 81 10.577 2.898 -8.555 1.00 0.00 H new ATOM 0 HB3 LYS A 81 8.975 3.212 -9.191 1.00 0.00 H new ATOM 0 HG2 LYS A 81 10.361 5.551 -7.969 1.00 0.00 H new ATOM 0 HG3 LYS A 81 11.076 4.923 -9.441 1.00 0.00 H new ATOM 0 HD2 LYS A 81 9.551 6.343 -10.408 1.00 0.00 H new ATOM 0 HD3 LYS A 81 8.515 4.937 -10.260 1.00 0.00 H new ATOM 0 HE2 LYS A 81 8.628 6.706 -7.863 1.00 0.00 H new ATOM 0 HE3 LYS A 81 7.889 7.412 -9.286 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 6.470 6.041 -7.622 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 6.193 5.883 -9.290 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 7.084 4.699 -8.461 1.00 0.00 H new ATOM 1233 N ALA A 82 8.886 1.057 -7.012 1.00 0.00 N ATOM 1234 CA ALA A 82 8.159 -0.202 -6.889 1.00 0.00 C ATOM 1235 C ALA A 82 7.301 -0.205 -5.629 1.00 0.00 C ATOM 1236 O ALA A 82 6.265 -0.866 -5.567 1.00 0.00 O ATOM 1237 CB ALA A 82 9.130 -1.374 -6.867 1.00 0.00 C ATOM 0 H ALA A 82 9.890 0.952 -7.157 1.00 0.00 H new ATOM 0 HA ALA A 82 7.504 -0.306 -7.754 1.00 0.00 H new ATOM 0 HB1 ALA A 82 8.573 -2.306 -6.775 1.00 0.00 H new ATOM 0 HB2 ALA A 82 9.707 -1.386 -7.792 1.00 0.00 H new ATOM 0 HB3 ALA A 82 9.806 -1.270 -6.019 1.00 0.00 H new ATOM 1243 N PHE A 83 7.747 0.544 -4.626 1.00 0.00 N ATOM 1244 CA PHE A 83 7.033 0.640 -3.361 1.00 0.00 C ATOM 1245 C PHE A 83 6.023 1.783 -3.394 1.00 0.00 C ATOM 1246 O PHE A 83 4.971 1.713 -2.762 1.00 0.00 O ATOM 1247 CB PHE A 83 8.028 0.846 -2.217 1.00 0.00 C ATOM 1248 CG PHE A 83 7.957 -0.225 -1.168 1.00 0.00 C ATOM 1249 CD1 PHE A 83 8.220 -1.545 -1.495 1.00 0.00 C ATOM 1250 CD2 PHE A 83 7.626 0.086 0.141 1.00 0.00 C ATOM 1251 CE1 PHE A 83 8.156 -2.536 -0.536 1.00 0.00 C ATOM 1252 CE2 PHE A 83 7.560 -0.902 1.105 1.00 0.00 C ATOM 1253 CZ PHE A 83 7.825 -2.215 0.767 1.00 0.00 C ATOM 0 H PHE A 83 8.604 1.095 -4.667 1.00 0.00 H new ATOM 0 HA PHE A 83 6.489 -0.290 -3.198 1.00 0.00 H new ATOM 0 HB2 PHE A 83 9.038 0.879 -2.625 1.00 0.00 H new ATOM 0 HB3 PHE A 83 7.841 1.814 -1.752 1.00 0.00 H new ATOM 0 HD1 PHE A 83 8.478 -1.802 -2.512 1.00 0.00 H new ATOM 0 HD2 PHE A 83 7.417 1.111 0.411 1.00 0.00 H new ATOM 0 HE1 PHE A 83 8.364 -3.561 -0.804 1.00 0.00 H new ATOM 0 HE2 PHE A 83 7.301 -0.648 2.122 1.00 0.00 H new ATOM 0 HZ PHE A 83 7.774 -2.989 1.519 1.00 0.00 H new ATOM 1263 N ALA A 84 6.354 2.833 -4.139 1.00 0.00 N ATOM 1264 CA ALA A 84 5.479 3.993 -4.259 1.00 0.00 C ATOM 1265 C ALA A 84 4.363 3.744 -5.269 1.00 0.00 C ATOM 1266 O ALA A 84 3.330 4.413 -5.244 1.00 0.00 O ATOM 1267 CB ALA A 84 6.285 5.220 -4.655 1.00 0.00 C ATOM 0 H ALA A 84 7.223 2.904 -4.669 1.00 0.00 H new ATOM 0 HA ALA A 84 5.018 4.169 -3.287 1.00 0.00 H new ATOM 0 HB1 ALA A 84 5.620 6.080 -4.741 1.00 0.00 H new ATOM 0 HB2 ALA A 84 7.040 5.420 -3.895 1.00 0.00 H new ATOM 0 HB3 ALA A 84 6.773 5.041 -5.613 1.00 0.00 H new ATOM 1273 N ALA A 85 4.574 2.777 -6.161 1.00 0.00 N ATOM 1274 CA ALA A 85 3.581 2.445 -7.177 1.00 0.00 C ATOM 1275 C ALA A 85 2.380 1.734 -6.581 1.00 0.00 C ATOM 1276 O ALA A 85 1.348 1.561 -7.231 1.00 0.00 O ATOM 1277 CB ALA A 85 4.208 1.600 -8.269 1.00 0.00 C ATOM 0 H ALA A 85 5.422 2.212 -6.199 1.00 0.00 H new ATOM 0 HA ALA A 85 3.226 3.380 -7.610 1.00 0.00 H new ATOM 0 HB1 ALA A 85 3.456 1.360 -9.020 1.00 0.00 H new ATOM 0 HB2 ALA A 85 5.023 2.154 -8.735 1.00 0.00 H new ATOM 0 HB3 ALA A 85 4.597 0.678 -7.837 1.00 0.00 H new ATOM 1283 N MET A 86 2.532 1.331 -5.343 1.00 0.00 N ATOM 1284 CA MET A 86 1.478 0.634 -4.617 1.00 0.00 C ATOM 1285 C MET A 86 0.370 1.600 -4.212 1.00 0.00 C ATOM 1286 O MET A 86 -0.804 1.233 -4.170 1.00 0.00 O ATOM 1287 CB MET A 86 2.052 -0.052 -3.377 1.00 0.00 C ATOM 1288 CG MET A 86 3.106 -1.099 -3.693 1.00 0.00 C ATOM 1289 SD MET A 86 2.409 -2.584 -4.440 1.00 0.00 S ATOM 1290 CE MET A 86 3.761 -3.099 -5.496 1.00 0.00 C ATOM 0 H MET A 86 3.386 1.473 -4.804 1.00 0.00 H new ATOM 0 HA MET A 86 1.054 -0.123 -5.277 1.00 0.00 H new ATOM 0 HB2 MET A 86 2.487 0.704 -2.723 1.00 0.00 H new ATOM 0 HB3 MET A 86 1.239 -0.522 -2.824 1.00 0.00 H new ATOM 0 HG2 MET A 86 3.847 -0.671 -4.368 1.00 0.00 H new ATOM 0 HG3 MET A 86 3.630 -1.370 -2.776 1.00 0.00 H new ATOM 0 HE1 MET A 86 3.481 -4.009 -6.027 1.00 0.00 H new ATOM 0 HE2 MET A 86 3.981 -2.311 -6.216 1.00 0.00 H new ATOM 0 HE3 MET A 86 4.645 -3.291 -4.888 1.00 0.00 H new ATOM 1300 N LEU A 87 0.754 2.839 -3.916 1.00 0.00 N ATOM 1301 CA LEU A 87 -0.209 3.862 -3.515 1.00 0.00 C ATOM 1302 C LEU A 87 -0.637 4.713 -4.693 1.00 0.00 C ATOM 1303 O LEU A 87 -1.531 5.553 -4.596 1.00 0.00 O ATOM 1304 CB LEU A 87 0.392 4.748 -2.438 1.00 0.00 C ATOM 1305 CG LEU A 87 0.736 4.041 -1.126 1.00 0.00 C ATOM 1306 CD1 LEU A 87 1.991 4.636 -0.512 1.00 0.00 C ATOM 1307 CD2 LEU A 87 -0.432 4.130 -0.155 1.00 0.00 C ATOM 0 H LEU A 87 1.722 3.159 -3.946 1.00 0.00 H new ATOM 0 HA LEU A 87 -1.091 3.354 -3.124 1.00 0.00 H new ATOM 0 HB2 LEU A 87 1.298 5.207 -2.833 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -0.307 5.556 -2.224 1.00 0.00 H new ATOM 0 HG LEU A 87 0.927 2.989 -1.339 1.00 0.00 H new ATOM 0 HD11 LEU A 87 2.220 4.120 0.421 1.00 0.00 H new ATOM 0 HD12 LEU A 87 2.825 4.520 -1.204 1.00 0.00 H new ATOM 0 HD13 LEU A 87 1.831 5.695 -0.311 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -0.172 3.622 0.774 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -0.653 5.177 0.053 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -1.308 3.655 -0.595 1.00 0.00 H new ATOM 1319 N TYR A 88 0.019 4.472 -5.791 1.00 0.00 N ATOM 1320 CA TYR A 88 -0.243 5.184 -7.037 1.00 0.00 C ATOM 1321 C TYR A 88 -0.526 4.209 -8.176 1.00 0.00 C ATOM 1322 O TYR A 88 -0.371 4.548 -9.349 1.00 0.00 O ATOM 1323 CB TYR A 88 0.943 6.080 -7.397 1.00 0.00 C ATOM 1324 CG TYR A 88 1.352 7.020 -6.287 1.00 0.00 C ATOM 1325 CD1 TYR A 88 0.426 7.867 -5.691 1.00 0.00 C ATOM 1326 CD2 TYR A 88 2.665 7.061 -5.834 1.00 0.00 C ATOM 1327 CE1 TYR A 88 0.798 8.729 -4.676 1.00 0.00 C ATOM 1328 CE2 TYR A 88 3.043 7.918 -4.819 1.00 0.00 C ATOM 1329 CZ TYR A 88 2.107 8.751 -4.243 1.00 0.00 C ATOM 1330 OH TYR A 88 2.480 9.606 -3.233 1.00 0.00 O ATOM 0 H TYR A 88 0.759 3.773 -5.862 1.00 0.00 H new ATOM 0 HA TYR A 88 -1.126 5.805 -6.890 1.00 0.00 H new ATOM 0 HB2 TYR A 88 1.794 5.453 -7.662 1.00 0.00 H new ATOM 0 HB3 TYR A 88 0.690 6.664 -8.282 1.00 0.00 H new ATOM 0 HD1 TYR A 88 -0.601 7.852 -6.026 1.00 0.00 H new ATOM 0 HD2 TYR A 88 3.402 6.412 -6.283 1.00 0.00 H new ATOM 0 HE1 TYR A 88 0.066 9.382 -4.224 1.00 0.00 H new ATOM 0 HE2 TYR A 88 4.068 7.936 -4.478 1.00 0.00 H new ATOM 0 HH TYR A 88 3.436 9.496 -3.047 1.00 0.00 H new ATOM 1340 N SER A 89 -0.940 2.997 -7.823 1.00 0.00 N ATOM 1341 CA SER A 89 -1.244 1.973 -8.816 1.00 0.00 C ATOM 1342 C SER A 89 -2.666 2.133 -9.344 1.00 0.00 C ATOM 1343 O SER A 89 -3.569 1.388 -8.964 1.00 0.00 O ATOM 1344 CB SER A 89 -1.065 0.579 -8.215 1.00 0.00 C ATOM 1345 OG SER A 89 -1.313 0.589 -6.819 1.00 0.00 O ATOM 0 H SER A 89 -1.073 2.700 -6.856 1.00 0.00 H new ATOM 0 HA SER A 89 -0.550 2.093 -9.648 1.00 0.00 H new ATOM 0 HB2 SER A 89 -1.744 -0.121 -8.703 1.00 0.00 H new ATOM 0 HB3 SER A 89 -0.052 0.225 -8.405 1.00 0.00 H new ATOM 0 HG SER A 89 -1.193 -0.315 -6.459 1.00 0.00 H new