USER MOD reduce.3.24.130724 H: found=0, std=0, add=268, rem=0, adj=5 USER MOD reduce.3.24.130724 removed 270 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 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 TYR OH : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ -107:sc= -0.153 (180deg=-1.1) USER MOD Single : A 68 GLN : amide:sc= -3.21! C(o=-3.2!,f=-1.8!) USER MOD Single : A 75 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 76 THR OG1 : rot 95:sc= 1.26 USER MOD Single : A 79 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 81 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 422 N PHE A 29 8.500 -8.759 -1.305 1.00 0.00 N ATOM 423 CA PHE A 29 8.169 -7.366 -1.054 1.00 0.00 C ATOM 424 C PHE A 29 8.953 -6.440 -1.987 1.00 0.00 C ATOM 425 O PHE A 29 8.681 -5.242 -2.049 1.00 0.00 O ATOM 426 CB PHE A 29 8.565 -7.066 0.393 1.00 0.00 C ATOM 427 CG PHE A 29 10.076 -7.031 0.631 1.00 0.00 C ATOM 428 CD1 PHE A 29 10.742 -8.174 0.946 1.00 0.00 C ATOM 429 CD2 PHE A 29 10.753 -5.856 0.526 1.00 0.00 C ATOM 430 CE1 PHE A 29 12.144 -8.141 1.166 1.00 0.00 C ATOM 431 CE2 PHE A 29 12.156 -5.823 0.746 1.00 0.00 C ATOM 432 CZ PHE A 29 12.822 -6.966 1.062 1.00 0.00 C ATOM 0 HA PHE A 29 7.106 -7.199 -1.228 1.00 0.00 H new ATOM 0 HB2 PHE A 29 8.140 -6.105 0.683 1.00 0.00 H new ATOM 0 HB3 PHE A 29 8.123 -7.820 1.044 1.00 0.00 H new ATOM 0 HD1 PHE A 29 10.204 -9.107 1.029 1.00 0.00 H new ATOM 0 HD2 PHE A 29 10.224 -4.948 0.275 1.00 0.00 H new ATOM 0 HE1 PHE A 29 12.673 -9.049 1.416 1.00 0.00 H new ATOM 0 HE2 PHE A 29 12.694 -4.890 0.662 1.00 0.00 H new ATOM 0 HZ PHE A 29 13.889 -6.941 1.230 1.00 0.00 H new ATOM 442 N VAL A 30 9.909 -7.031 -2.688 1.00 0.00 N ATOM 443 CA VAL A 30 10.733 -6.274 -3.615 1.00 0.00 C ATOM 444 C VAL A 30 9.836 -5.391 -4.485 1.00 0.00 C ATOM 445 O VAL A 30 10.060 -4.187 -4.592 1.00 0.00 O ATOM 446 CB VAL A 30 11.610 -7.225 -4.432 1.00 0.00 C ATOM 447 CG1 VAL A 30 11.622 -6.827 -5.909 1.00 0.00 C ATOM 448 CG2 VAL A 30 13.031 -7.282 -3.868 1.00 0.00 C ATOM 0 H VAL A 30 10.131 -8.025 -2.633 1.00 0.00 H new ATOM 0 HA VAL A 30 11.410 -5.614 -3.073 1.00 0.00 H new ATOM 0 HB VAL A 30 11.180 -8.224 -4.358 1.00 0.00 H new ATOM 0 HG11 VAL A 30 12.253 -7.519 -6.467 1.00 0.00 H new ATOM 0 HG12 VAL A 30 10.607 -6.862 -6.304 1.00 0.00 H new ATOM 0 HG13 VAL A 30 12.015 -5.816 -6.010 1.00 0.00 H new ATOM 0 HG21 VAL A 30 13.633 -7.965 -4.467 1.00 0.00 H new ATOM 0 HG22 VAL A 30 13.474 -6.287 -3.897 1.00 0.00 H new ATOM 0 HG23 VAL A 30 12.999 -7.635 -2.837 1.00 0.00 H new ATOM 458 N PRO A 31 8.813 -6.042 -5.101 1.00 0.00 N ATOM 459 CA PRO A 31 7.881 -5.330 -5.959 1.00 0.00 C ATOM 460 C PRO A 31 6.900 -4.499 -5.130 1.00 0.00 C ATOM 461 O PRO A 31 6.291 -3.559 -5.641 1.00 0.00 O ATOM 462 CB PRO A 31 7.198 -6.410 -6.781 1.00 0.00 C ATOM 463 CG PRO A 31 7.432 -7.713 -6.034 1.00 0.00 C ATOM 464 CD PRO A 31 8.518 -7.468 -4.998 1.00 0.00 C ATOM 0 HA PRO A 31 8.375 -4.607 -6.609 1.00 0.00 H new ATOM 0 HB2 PRO A 31 6.132 -6.206 -6.886 1.00 0.00 H new ATOM 0 HB3 PRO A 31 7.614 -6.457 -7.787 1.00 0.00 H new ATOM 0 HG2 PRO A 31 6.513 -8.047 -5.552 1.00 0.00 H new ATOM 0 HG3 PRO A 31 7.734 -8.500 -6.725 1.00 0.00 H new ATOM 0 HD2 PRO A 31 8.177 -7.730 -3.997 1.00 0.00 H new ATOM 0 HD3 PRO A 31 9.403 -8.071 -5.201 1.00 0.00 H new ATOM 472 N VAL A 32 6.776 -4.874 -3.866 1.00 0.00 N ATOM 473 CA VAL A 32 5.878 -4.175 -2.962 1.00 0.00 C ATOM 474 C VAL A 32 6.434 -2.778 -2.678 1.00 0.00 C ATOM 475 O VAL A 32 5.713 -1.787 -2.780 1.00 0.00 O ATOM 476 CB VAL A 32 5.664 -5.003 -1.693 1.00 0.00 C ATOM 477 CG1 VAL A 32 4.831 -4.231 -0.669 1.00 0.00 C ATOM 478 CG2 VAL A 32 5.020 -6.352 -2.020 1.00 0.00 C ATOM 0 H VAL A 32 7.283 -5.653 -3.446 1.00 0.00 H new ATOM 0 HA VAL A 32 4.897 -4.048 -3.420 1.00 0.00 H new ATOM 0 HB VAL A 32 6.641 -5.197 -1.251 1.00 0.00 H new ATOM 0 HG11 VAL A 32 4.694 -4.842 0.223 1.00 0.00 H new ATOM 0 HG12 VAL A 32 5.347 -3.309 -0.401 1.00 0.00 H new ATOM 0 HG13 VAL A 32 3.858 -3.991 -1.098 1.00 0.00 H new ATOM 0 HG21 VAL A 32 4.879 -6.920 -1.101 1.00 0.00 H new ATOM 0 HG22 VAL A 32 4.054 -6.188 -2.497 1.00 0.00 H new ATOM 0 HG23 VAL A 32 5.668 -6.910 -2.696 1.00 0.00 H new ATOM 488 N GLY A 33 7.711 -2.744 -2.327 1.00 0.00 N ATOM 489 CA GLY A 33 8.371 -1.485 -2.027 1.00 0.00 C ATOM 490 C GLY A 33 8.596 -0.667 -3.301 1.00 0.00 C ATOM 491 O GLY A 33 8.348 0.538 -3.320 1.00 0.00 O ATOM 0 H GLY A 33 8.306 -3.568 -2.244 1.00 0.00 H new ATOM 0 HA2 GLY A 33 7.766 -0.912 -1.324 1.00 0.00 H new ATOM 0 HA3 GLY A 33 9.327 -1.678 -1.541 1.00 0.00 H new ATOM 495 N ILE A 34 9.062 -1.355 -4.333 1.00 0.00 N ATOM 496 CA ILE A 34 9.322 -0.707 -5.607 1.00 0.00 C ATOM 497 C ILE A 34 8.025 -0.093 -6.137 1.00 0.00 C ATOM 498 O ILE A 34 7.896 1.128 -6.209 1.00 0.00 O ATOM 499 CB ILE A 34 9.982 -1.686 -6.581 1.00 0.00 C ATOM 500 CG1 ILE A 34 11.398 -2.044 -6.124 1.00 0.00 C ATOM 501 CG2 ILE A 34 9.962 -1.136 -8.008 1.00 0.00 C ATOM 502 CD1 ILE A 34 12.364 -0.884 -6.374 1.00 0.00 C ATOM 0 H ILE A 34 9.266 -2.354 -4.313 1.00 0.00 H new ATOM 0 HA ILE A 34 10.033 0.110 -5.481 1.00 0.00 H new ATOM 0 HB ILE A 34 9.402 -2.609 -6.583 1.00 0.00 H new ATOM 0 HG12 ILE A 34 11.390 -2.293 -5.063 1.00 0.00 H new ATOM 0 HG13 ILE A 34 11.743 -2.930 -6.656 1.00 0.00 H new ATOM 0 HG21 ILE A 34 10.437 -1.851 -8.680 1.00 0.00 H new ATOM 0 HG22 ILE A 34 8.931 -0.974 -8.321 1.00 0.00 H new ATOM 0 HG23 ILE A 34 10.504 -0.191 -8.041 1.00 0.00 H new ATOM 0 HD11 ILE A 34 13.363 -1.164 -6.040 1.00 0.00 H new ATOM 0 HD12 ILE A 34 12.388 -0.654 -7.439 1.00 0.00 H new ATOM 0 HD13 ILE A 34 12.030 -0.006 -5.821 1.00 0.00 H new ATOM 514 N ALA A 35 7.096 -0.968 -6.494 1.00 0.00 N ATOM 515 CA ALA A 35 5.814 -0.527 -7.015 1.00 0.00 C ATOM 516 C ALA A 35 5.123 0.358 -5.976 1.00 0.00 C ATOM 517 O ALA A 35 4.828 1.522 -6.243 1.00 0.00 O ATOM 518 CB ALA A 35 4.971 -1.746 -7.396 1.00 0.00 C ATOM 0 H ALA A 35 7.206 -1.980 -6.433 1.00 0.00 H new ATOM 0 HA ALA A 35 5.951 0.069 -7.917 1.00 0.00 H new ATOM 0 HB1 ALA A 35 4.009 -1.415 -7.787 1.00 0.00 H new ATOM 0 HB2 ALA A 35 5.493 -2.325 -8.158 1.00 0.00 H new ATOM 0 HB3 ALA A 35 4.810 -2.367 -6.515 1.00 0.00 H new ATOM 524 N GLY A 36 4.884 -0.228 -4.811 1.00 0.00 N ATOM 525 CA GLY A 36 4.234 0.493 -3.730 1.00 0.00 C ATOM 526 C GLY A 36 4.745 1.932 -3.645 1.00 0.00 C ATOM 527 O GLY A 36 3.970 2.879 -3.776 1.00 0.00 O ATOM 0 H GLY A 36 5.129 -1.194 -4.593 1.00 0.00 H new ATOM 0 HA2 GLY A 36 3.155 0.495 -3.887 1.00 0.00 H new ATOM 0 HA3 GLY A 36 4.418 -0.018 -2.785 1.00 0.00 H new ATOM 531 N PHE A 37 6.046 2.052 -3.426 1.00 0.00 N ATOM 532 CA PHE A 37 6.670 3.360 -3.322 1.00 0.00 C ATOM 533 C PHE A 37 6.268 4.255 -4.496 1.00 0.00 C ATOM 534 O PHE A 37 5.793 5.372 -4.296 1.00 0.00 O ATOM 535 CB PHE A 37 8.183 3.138 -3.360 1.00 0.00 C ATOM 536 CG PHE A 37 9.001 4.431 -3.405 1.00 0.00 C ATOM 537 CD1 PHE A 37 8.956 5.301 -2.361 1.00 0.00 C ATOM 538 CD2 PHE A 37 9.773 4.710 -4.490 1.00 0.00 C ATOM 539 CE1 PHE A 37 9.714 6.501 -2.403 1.00 0.00 C ATOM 540 CE2 PHE A 37 10.531 5.909 -4.532 1.00 0.00 C ATOM 541 CZ PHE A 37 10.486 6.779 -3.488 1.00 0.00 C ATOM 0 H PHE A 37 6.685 1.265 -3.318 1.00 0.00 H new ATOM 0 HA PHE A 37 6.354 3.851 -2.402 1.00 0.00 H new ATOM 0 HB2 PHE A 37 8.478 2.564 -2.482 1.00 0.00 H new ATOM 0 HB3 PHE A 37 8.429 2.534 -4.233 1.00 0.00 H new ATOM 0 HD1 PHE A 37 8.344 5.079 -1.500 1.00 0.00 H new ATOM 0 HD2 PHE A 37 9.809 4.019 -5.319 1.00 0.00 H new ATOM 0 HE1 PHE A 37 9.678 7.192 -1.574 1.00 0.00 H new ATOM 0 HE2 PHE A 37 11.144 6.130 -5.393 1.00 0.00 H new ATOM 0 HZ PHE A 37 11.063 7.691 -3.520 1.00 0.00 H new ATOM 551 N ALA A 38 6.473 3.730 -5.695 1.00 0.00 N ATOM 552 CA ALA A 38 6.137 4.467 -6.901 1.00 0.00 C ATOM 553 C ALA A 38 4.700 4.981 -6.797 1.00 0.00 C ATOM 554 O ALA A 38 4.461 6.186 -6.869 1.00 0.00 O ATOM 555 CB ALA A 38 6.348 3.571 -8.123 1.00 0.00 C ATOM 0 H ALA A 38 6.867 2.803 -5.857 1.00 0.00 H new ATOM 0 HA ALA A 38 6.789 5.333 -7.015 1.00 0.00 H new ATOM 0 HB1 ALA A 38 6.096 4.124 -9.028 1.00 0.00 H new ATOM 0 HB2 ALA A 38 7.391 3.257 -8.168 1.00 0.00 H new ATOM 0 HB3 ALA A 38 5.708 2.692 -8.045 1.00 0.00 H new ATOM 561 N ALA A 39 3.780 4.043 -6.629 1.00 0.00 N ATOM 562 CA ALA A 39 2.373 4.386 -6.514 1.00 0.00 C ATOM 563 C ALA A 39 2.211 5.524 -5.504 1.00 0.00 C ATOM 564 O ALA A 39 1.717 6.597 -5.847 1.00 0.00 O ATOM 565 CB ALA A 39 1.575 3.141 -6.122 1.00 0.00 C ATOM 0 H ALA A 39 3.982 3.045 -6.570 1.00 0.00 H new ATOM 0 HA ALA A 39 1.984 4.736 -7.470 1.00 0.00 H new ATOM 0 HB1 ALA A 39 0.519 3.398 -6.036 1.00 0.00 H new ATOM 0 HB2 ALA A 39 1.700 2.373 -6.885 1.00 0.00 H new ATOM 0 HB3 ALA A 39 1.936 2.764 -5.165 1.00 0.00 H new ATOM 571 N ILE A 40 2.637 5.251 -4.280 1.00 0.00 N ATOM 572 CA ILE A 40 2.545 6.239 -3.218 1.00 0.00 C ATOM 573 C ILE A 40 2.934 7.612 -3.770 1.00 0.00 C ATOM 574 O ILE A 40 2.138 8.549 -3.730 1.00 0.00 O ATOM 575 CB ILE A 40 3.376 5.805 -2.009 1.00 0.00 C ATOM 576 CG1 ILE A 40 2.763 4.576 -1.335 1.00 0.00 C ATOM 577 CG2 ILE A 40 3.564 6.964 -1.028 1.00 0.00 C ATOM 578 CD1 ILE A 40 1.338 4.866 -0.858 1.00 0.00 C ATOM 0 H ILE A 40 3.047 4.360 -4.000 1.00 0.00 H new ATOM 0 HA ILE A 40 1.519 6.318 -2.859 1.00 0.00 H new ATOM 0 HB ILE A 40 4.367 5.518 -2.361 1.00 0.00 H new ATOM 0 HG12 ILE A 40 2.753 3.740 -2.035 1.00 0.00 H new ATOM 0 HG13 ILE A 40 3.380 4.276 -0.488 1.00 0.00 H new ATOM 0 HG21 ILE A 40 4.158 6.628 -0.178 1.00 0.00 H new ATOM 0 HG22 ILE A 40 4.078 7.785 -1.529 1.00 0.00 H new ATOM 0 HG23 ILE A 40 2.590 7.306 -0.678 1.00 0.00 H new ATOM 0 HD11 ILE A 40 0.925 3.976 -0.383 1.00 0.00 H new ATOM 0 HD12 ILE A 40 1.354 5.686 -0.140 1.00 0.00 H new ATOM 0 HD13 ILE A 40 0.718 5.142 -1.711 1.00 0.00 H new ATOM 590 N VAL A 41 4.157 7.688 -4.273 1.00 0.00 N ATOM 591 CA VAL A 41 4.660 8.931 -4.833 1.00 0.00 C ATOM 592 C VAL A 41 3.576 9.570 -5.703 1.00 0.00 C ATOM 593 O VAL A 41 3.274 10.753 -5.556 1.00 0.00 O ATOM 594 CB VAL A 41 5.962 8.673 -5.594 1.00 0.00 C ATOM 595 CG1 VAL A 41 6.333 9.872 -6.469 1.00 0.00 C ATOM 596 CG2 VAL A 41 7.100 8.323 -4.632 1.00 0.00 C ATOM 0 H VAL A 41 4.815 6.909 -4.305 1.00 0.00 H new ATOM 0 HA VAL A 41 4.898 9.639 -4.039 1.00 0.00 H new ATOM 0 HB VAL A 41 5.802 7.817 -6.249 1.00 0.00 H new ATOM 0 HG11 VAL A 41 7.262 9.662 -6.999 1.00 0.00 H new ATOM 0 HG12 VAL A 41 5.537 10.056 -7.191 1.00 0.00 H new ATOM 0 HG13 VAL A 41 6.464 10.754 -5.842 1.00 0.00 H new ATOM 0 HG21 VAL A 41 8.014 8.144 -5.199 1.00 0.00 H new ATOM 0 HG22 VAL A 41 7.258 9.150 -3.940 1.00 0.00 H new ATOM 0 HG23 VAL A 41 6.839 7.425 -4.072 1.00 0.00 H new ATOM 606 N ALA A 42 3.020 8.758 -6.590 1.00 0.00 N ATOM 607 CA ALA A 42 1.975 9.229 -7.484 1.00 0.00 C ATOM 608 C ALA A 42 0.808 9.771 -6.656 1.00 0.00 C ATOM 609 O ALA A 42 0.453 10.943 -6.770 1.00 0.00 O ATOM 610 CB ALA A 42 1.551 8.093 -8.417 1.00 0.00 C ATOM 0 H ALA A 42 3.273 7.777 -6.709 1.00 0.00 H new ATOM 0 HA ALA A 42 2.342 10.043 -8.109 1.00 0.00 H new ATOM 0 HB1 ALA A 42 0.767 8.446 -9.087 1.00 0.00 H new ATOM 0 HB2 ALA A 42 2.409 7.764 -9.003 1.00 0.00 H new ATOM 0 HB3 ALA A 42 1.174 7.258 -7.826 1.00 0.00 H new ATOM 616 N TYR A 43 0.243 8.891 -5.842 1.00 0.00 N ATOM 617 CA TYR A 43 -0.877 9.267 -4.996 1.00 0.00 C ATOM 618 C TYR A 43 -0.642 10.633 -4.350 1.00 0.00 C ATOM 619 O TYR A 43 -1.420 11.564 -4.557 1.00 0.00 O ATOM 620 CB TYR A 43 -0.951 8.203 -3.899 1.00 0.00 C ATOM 621 CG TYR A 43 -2.365 7.951 -3.371 1.00 0.00 C ATOM 622 CD1 TYR A 43 -3.207 7.084 -4.038 1.00 0.00 C ATOM 623 CD2 TYR A 43 -2.799 8.591 -2.228 1.00 0.00 C ATOM 624 CE1 TYR A 43 -4.537 6.847 -3.541 1.00 0.00 C ATOM 625 CE2 TYR A 43 -4.130 8.354 -1.731 1.00 0.00 C ATOM 626 CZ TYR A 43 -4.933 7.494 -2.412 1.00 0.00 C ATOM 627 OH TYR A 43 -6.190 7.270 -1.943 1.00 0.00 O ATOM 0 H TYR A 43 0.540 7.919 -5.750 1.00 0.00 H new ATOM 0 HA TYR A 43 -1.795 9.331 -5.580 1.00 0.00 H new ATOM 0 HB2 TYR A 43 -0.547 7.268 -4.286 1.00 0.00 H new ATOM 0 HB3 TYR A 43 -0.313 8.507 -3.069 1.00 0.00 H new ATOM 0 HD1 TYR A 43 -2.868 6.583 -4.933 1.00 0.00 H new ATOM 0 HD2 TYR A 43 -2.141 9.270 -1.706 1.00 0.00 H new ATOM 0 HE1 TYR A 43 -5.205 6.171 -4.053 1.00 0.00 H new ATOM 0 HE2 TYR A 43 -4.482 8.848 -0.838 1.00 0.00 H new ATOM 0 HH TYR A 43 -6.335 7.798 -1.130 1.00 0.00 H new ATOM 637 N GLY A 44 0.434 10.712 -3.580 1.00 0.00 N ATOM 638 CA GLY A 44 0.781 11.949 -2.902 1.00 0.00 C ATOM 639 C GLY A 44 0.861 13.113 -3.893 1.00 0.00 C ATOM 640 O GLY A 44 0.276 14.170 -3.663 1.00 0.00 O ATOM 0 H GLY A 44 1.077 9.939 -3.411 1.00 0.00 H new ATOM 0 HA2 GLY A 44 0.037 12.169 -2.136 1.00 0.00 H new ATOM 0 HA3 GLY A 44 1.738 11.833 -2.393 1.00 0.00 H new ATOM 644 N LEU A 45 1.591 12.879 -4.974 1.00 0.00 N ATOM 645 CA LEU A 45 1.755 13.894 -6.000 1.00 0.00 C ATOM 646 C LEU A 45 0.383 14.455 -6.380 1.00 0.00 C ATOM 647 O LEU A 45 0.193 15.670 -6.411 1.00 0.00 O ATOM 648 CB LEU A 45 2.541 13.334 -7.187 1.00 0.00 C ATOM 649 CG LEU A 45 2.898 14.335 -8.287 1.00 0.00 C ATOM 650 CD1 LEU A 45 4.045 15.247 -7.848 1.00 0.00 C ATOM 651 CD2 LEU A 45 3.209 13.617 -9.602 1.00 0.00 C ATOM 0 H LEU A 45 2.075 12.001 -5.161 1.00 0.00 H new ATOM 0 HA LEU A 45 2.347 14.727 -5.621 1.00 0.00 H new ATOM 0 HB2 LEU A 45 3.464 12.893 -6.811 1.00 0.00 H new ATOM 0 HB3 LEU A 45 1.961 12.526 -7.633 1.00 0.00 H new ATOM 0 HG LEU A 45 2.031 14.971 -8.464 1.00 0.00 H new ATOM 0 HD11 LEU A 45 4.279 15.949 -8.649 1.00 0.00 H new ATOM 0 HD12 LEU A 45 3.750 15.799 -6.956 1.00 0.00 H new ATOM 0 HD13 LEU A 45 4.925 14.644 -7.626 1.00 0.00 H new ATOM 0 HD21 LEU A 45 3.460 14.352 -10.367 1.00 0.00 H new ATOM 0 HD22 LEU A 45 4.052 12.942 -9.457 1.00 0.00 H new ATOM 0 HD23 LEU A 45 2.337 13.045 -9.920 1.00 0.00 H new ATOM 663 N TYR A 46 -0.536 13.544 -6.660 1.00 0.00 N ATOM 664 CA TYR A 46 -1.885 13.932 -7.038 1.00 0.00 C ATOM 665 C TYR A 46 -2.639 14.524 -5.845 1.00 0.00 C ATOM 666 O TYR A 46 -3.375 15.498 -5.993 1.00 0.00 O ATOM 667 CB TYR A 46 -2.585 12.647 -7.482 1.00 0.00 C ATOM 668 CG TYR A 46 -2.496 12.377 -8.985 1.00 0.00 C ATOM 669 CD1 TYR A 46 -3.227 13.146 -9.869 1.00 0.00 C ATOM 670 CD2 TYR A 46 -1.686 11.366 -9.458 1.00 0.00 C ATOM 671 CE1 TYR A 46 -3.143 12.893 -11.284 1.00 0.00 C ATOM 672 CE2 TYR A 46 -1.602 11.112 -10.873 1.00 0.00 C ATOM 673 CZ TYR A 46 -2.335 11.888 -11.716 1.00 0.00 C ATOM 674 OH TYR A 46 -2.256 11.649 -13.053 1.00 0.00 O ATOM 0 H TYR A 46 -0.374 12.537 -6.633 1.00 0.00 H new ATOM 0 HA TYR A 46 -1.861 14.687 -7.824 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -2.149 11.804 -6.946 1.00 0.00 H new ATOM 0 HB3 TYR A 46 -3.635 12.699 -7.194 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -3.862 13.937 -9.499 1.00 0.00 H new ATOM 0 HD2 TYR A 46 -1.114 10.764 -8.767 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -3.709 13.488 -11.986 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -0.971 10.323 -11.256 1.00 0.00 H new ATOM 0 HH TYR A 46 -1.641 10.904 -13.216 1.00 0.00 H new ATOM 684 N LYS A 47 -2.429 13.910 -4.690 1.00 0.00 N ATOM 685 CA LYS A 47 -3.080 14.364 -3.472 1.00 0.00 C ATOM 686 C LYS A 47 -2.876 15.873 -3.322 1.00 0.00 C ATOM 687 O LYS A 47 -3.801 16.594 -2.953 1.00 0.00 O ATOM 688 CB LYS A 47 -2.590 13.555 -2.269 1.00 0.00 C ATOM 689 CG LYS A 47 -3.239 14.050 -0.975 1.00 0.00 C ATOM 690 CD LYS A 47 -2.197 14.668 -0.041 1.00 0.00 C ATOM 691 CE LYS A 47 -2.669 16.024 0.486 1.00 0.00 C ATOM 692 NZ LYS A 47 -1.793 17.108 -0.013 1.00 0.00 N ATOM 0 H LYS A 47 -1.818 13.102 -4.571 1.00 0.00 H new ATOM 0 HA LYS A 47 -4.155 14.191 -3.527 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -2.822 12.500 -2.416 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -1.506 13.634 -2.190 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -4.007 14.788 -1.208 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -3.736 13.220 -0.473 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -2.008 13.995 0.795 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -1.253 14.789 -0.573 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -3.697 16.205 0.171 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -2.666 16.018 1.576 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -1.194 17.455 0.763 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -1.191 16.743 -0.779 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -2.378 17.888 -0.374 1.00 0.00 H new ATOM 706 N LEU A 48 -1.659 16.306 -3.617 1.00 0.00 N ATOM 707 CA LEU A 48 -1.322 17.716 -3.520 1.00 0.00 C ATOM 708 C LEU A 48 -2.471 18.551 -4.089 1.00 0.00 C ATOM 709 O LEU A 48 -3.089 19.335 -3.371 1.00 0.00 O ATOM 710 CB LEU A 48 0.027 17.992 -4.185 1.00 0.00 C ATOM 711 CG LEU A 48 0.353 19.462 -4.457 1.00 0.00 C ATOM 712 CD1 LEU A 48 0.778 20.176 -3.173 1.00 0.00 C ATOM 713 CD2 LEU A 48 1.404 19.595 -5.562 1.00 0.00 C ATOM 0 H LEU A 48 -0.894 15.705 -3.923 1.00 0.00 H new ATOM 0 HA LEU A 48 -1.202 18.008 -2.477 1.00 0.00 H new ATOM 0 HB2 LEU A 48 0.813 17.577 -3.553 1.00 0.00 H new ATOM 0 HB3 LEU A 48 0.060 17.452 -5.131 1.00 0.00 H new ATOM 0 HG LEU A 48 -0.553 19.953 -4.813 1.00 0.00 H new ATOM 0 HD11 LEU A 48 1.004 21.219 -3.394 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -0.031 20.127 -2.444 1.00 0.00 H new ATOM 0 HD13 LEU A 48 1.665 19.692 -2.764 1.00 0.00 H new ATOM 0 HD21 LEU A 48 1.618 20.650 -5.736 1.00 0.00 H new ATOM 0 HD22 LEU A 48 2.318 19.085 -5.258 1.00 0.00 H new ATOM 0 HD23 LEU A 48 1.026 19.145 -6.480 1.00 0.00 H new ATOM 999 N VAL A 65 5.753 14.543 2.089 1.00 0.00 N ATOM 1000 CA VAL A 65 6.905 13.696 2.345 1.00 0.00 C ATOM 1001 C VAL A 65 6.826 13.154 3.774 1.00 0.00 C ATOM 1002 O VAL A 65 6.804 11.942 3.981 1.00 0.00 O ATOM 1003 CB VAL A 65 8.196 14.470 2.070 1.00 0.00 C ATOM 1004 CG1 VAL A 65 9.419 13.681 2.541 1.00 0.00 C ATOM 1005 CG2 VAL A 65 8.313 14.831 0.588 1.00 0.00 C ATOM 0 HA VAL A 65 6.906 12.839 1.671 1.00 0.00 H new ATOM 0 HB VAL A 65 8.158 15.399 2.639 1.00 0.00 H new ATOM 0 HG11 VAL A 65 10.323 14.253 2.334 1.00 0.00 H new ATOM 0 HG12 VAL A 65 9.343 13.498 3.613 1.00 0.00 H new ATOM 0 HG13 VAL A 65 9.463 12.729 2.012 1.00 0.00 H new ATOM 0 HG21 VAL A 65 9.239 15.381 0.419 1.00 0.00 H new ATOM 0 HG22 VAL A 65 8.318 13.919 -0.009 1.00 0.00 H new ATOM 0 HG23 VAL A 65 7.465 15.451 0.296 1.00 0.00 H new ATOM 1015 N ALA A 66 6.787 14.078 4.722 1.00 0.00 N ATOM 1016 CA ALA A 66 6.711 13.708 6.125 1.00 0.00 C ATOM 1017 C ALA A 66 5.589 12.686 6.319 1.00 0.00 C ATOM 1018 O ALA A 66 5.835 11.568 6.769 1.00 0.00 O ATOM 1019 CB ALA A 66 6.509 14.964 6.975 1.00 0.00 C ATOM 0 H ALA A 66 6.807 15.083 4.546 1.00 0.00 H new ATOM 0 HA ALA A 66 7.641 13.242 6.449 1.00 0.00 H new ATOM 0 HB1 ALA A 66 6.452 14.686 8.027 1.00 0.00 H new ATOM 0 HB2 ALA A 66 7.347 15.644 6.824 1.00 0.00 H new ATOM 0 HB3 ALA A 66 5.583 15.458 6.680 1.00 0.00 H new ATOM 1025 N ALA A 67 4.382 13.106 5.970 1.00 0.00 N ATOM 1026 CA ALA A 67 3.222 12.242 6.100 1.00 0.00 C ATOM 1027 C ALA A 67 3.513 10.900 5.424 1.00 0.00 C ATOM 1028 O ALA A 67 2.981 9.868 5.830 1.00 0.00 O ATOM 1029 CB ALA A 67 1.996 12.940 5.507 1.00 0.00 C ATOM 0 H ALA A 67 4.183 14.034 5.597 1.00 0.00 H new ATOM 0 HA ALA A 67 3.007 12.043 7.150 1.00 0.00 H new ATOM 0 HB1 ALA A 67 1.125 12.291 5.605 1.00 0.00 H new ATOM 0 HB2 ALA A 67 1.815 13.873 6.041 1.00 0.00 H new ATOM 0 HB3 ALA A 67 2.173 13.153 4.453 1.00 0.00 H new ATOM 1035 N GLN A 68 4.356 10.959 4.403 1.00 0.00 N ATOM 1036 CA GLN A 68 4.724 9.761 3.667 1.00 0.00 C ATOM 1037 C GLN A 68 5.580 8.843 4.541 1.00 0.00 C ATOM 1038 O GLN A 68 5.399 7.626 4.533 1.00 0.00 O ATOM 1039 CB GLN A 68 5.452 10.118 2.369 1.00 0.00 C ATOM 1040 CG GLN A 68 5.027 9.189 1.230 1.00 0.00 C ATOM 1041 CD GLN A 68 5.892 9.414 -0.012 1.00 0.00 C ATOM 1042 OE1 GLN A 68 7.110 9.455 0.047 1.00 0.00 O ATOM 1043 NE2 GLN A 68 5.197 9.557 -1.137 1.00 0.00 N ATOM 0 H GLN A 68 4.794 11.817 4.068 1.00 0.00 H new ATOM 0 HA GLN A 68 3.812 9.228 3.399 1.00 0.00 H new ATOM 0 HB2 GLN A 68 5.237 11.152 2.099 1.00 0.00 H new ATOM 0 HB3 GLN A 68 6.529 10.045 2.520 1.00 0.00 H new ATOM 0 HG2 GLN A 68 5.110 8.151 1.552 1.00 0.00 H new ATOM 0 HG3 GLN A 68 3.979 9.364 0.985 1.00 0.00 H new ATOM 0 HE21 GLN A 68 4.178 9.512 -1.116 1.00 0.00 H new ATOM 0 HE22 GLN A 68 5.683 9.712 -2.020 1.00 0.00 H new ATOM 1052 N GLY A 69 6.495 9.460 5.274 1.00 0.00 N ATOM 1053 CA GLY A 69 7.379 8.713 6.152 1.00 0.00 C ATOM 1054 C GLY A 69 6.592 8.035 7.276 1.00 0.00 C ATOM 1055 O GLY A 69 6.787 6.851 7.547 1.00 0.00 O ATOM 0 H GLY A 69 6.643 10.469 5.278 1.00 0.00 H new ATOM 0 HA2 GLY A 69 7.919 7.961 5.576 1.00 0.00 H new ATOM 0 HA3 GLY A 69 8.125 9.383 6.579 1.00 0.00 H new ATOM 1059 N PHE A 70 5.720 8.815 7.898 1.00 0.00 N ATOM 1060 CA PHE A 70 4.903 8.304 8.986 1.00 0.00 C ATOM 1061 C PHE A 70 3.965 7.200 8.495 1.00 0.00 C ATOM 1062 O PHE A 70 3.729 6.221 9.201 1.00 0.00 O ATOM 1063 CB PHE A 70 4.067 9.475 9.505 1.00 0.00 C ATOM 1064 CG PHE A 70 3.471 9.247 10.895 1.00 0.00 C ATOM 1065 CD1 PHE A 70 4.252 9.385 12.000 1.00 0.00 C ATOM 1066 CD2 PHE A 70 2.162 8.906 11.027 1.00 0.00 C ATOM 1067 CE1 PHE A 70 3.699 9.173 13.291 1.00 0.00 C ATOM 1068 CE2 PHE A 70 1.609 8.694 12.317 1.00 0.00 C ATOM 1069 CZ PHE A 70 2.389 8.832 13.422 1.00 0.00 C ATOM 0 H PHE A 70 5.561 9.796 7.670 1.00 0.00 H new ATOM 0 HA PHE A 70 5.540 7.883 9.764 1.00 0.00 H new ATOM 0 HB2 PHE A 70 4.690 10.369 9.530 1.00 0.00 H new ATOM 0 HB3 PHE A 70 3.258 9.670 8.802 1.00 0.00 H new ATOM 0 HD1 PHE A 70 5.292 9.656 11.896 1.00 0.00 H new ATOM 0 HD2 PHE A 70 1.542 8.796 10.150 1.00 0.00 H new ATOM 0 HE1 PHE A 70 4.319 9.283 14.169 1.00 0.00 H new ATOM 0 HE2 PHE A 70 0.569 8.423 12.421 1.00 0.00 H new ATOM 0 HZ PHE A 70 1.968 8.671 14.404 1.00 0.00 H new ATOM 1079 N VAL A 71 3.454 7.395 7.288 1.00 0.00 N ATOM 1080 CA VAL A 71 2.546 6.428 6.695 1.00 0.00 C ATOM 1081 C VAL A 71 3.298 5.121 6.435 1.00 0.00 C ATOM 1082 O VAL A 71 2.942 4.078 6.981 1.00 0.00 O ATOM 1083 CB VAL A 71 1.911 7.014 5.431 1.00 0.00 C ATOM 1084 CG1 VAL A 71 1.229 5.922 4.605 1.00 0.00 C ATOM 1085 CG2 VAL A 71 0.928 8.133 5.780 1.00 0.00 C ATOM 0 H VAL A 71 3.652 8.208 6.705 1.00 0.00 H new ATOM 0 HA VAL A 71 1.728 6.202 7.379 1.00 0.00 H new ATOM 0 HB VAL A 71 2.707 7.445 4.824 1.00 0.00 H new ATOM 0 HG11 VAL A 71 0.786 6.364 3.713 1.00 0.00 H new ATOM 0 HG12 VAL A 71 1.966 5.174 4.312 1.00 0.00 H new ATOM 0 HG13 VAL A 71 0.449 5.449 5.201 1.00 0.00 H new ATOM 0 HG21 VAL A 71 0.491 8.532 4.865 1.00 0.00 H new ATOM 0 HG22 VAL A 71 0.137 7.737 6.417 1.00 0.00 H new ATOM 0 HG23 VAL A 71 1.455 8.928 6.307 1.00 0.00 H new ATOM 1095 N VAL A 72 4.324 5.221 5.603 1.00 0.00 N ATOM 1096 CA VAL A 72 5.129 4.060 5.264 1.00 0.00 C ATOM 1097 C VAL A 72 5.568 3.358 6.551 1.00 0.00 C ATOM 1098 O VAL A 72 5.689 2.134 6.584 1.00 0.00 O ATOM 1099 CB VAL A 72 6.305 4.478 4.380 1.00 0.00 C ATOM 1100 CG1 VAL A 72 5.818 5.236 3.143 1.00 0.00 C ATOM 1101 CG2 VAL A 72 7.317 5.310 5.170 1.00 0.00 C ATOM 0 H VAL A 72 4.616 6.089 5.153 1.00 0.00 H new ATOM 0 HA VAL A 72 4.544 3.345 4.686 1.00 0.00 H new ATOM 0 HB VAL A 72 6.808 3.572 4.042 1.00 0.00 H new ATOM 0 HG11 VAL A 72 6.674 5.522 2.531 1.00 0.00 H new ATOM 0 HG12 VAL A 72 5.154 4.596 2.562 1.00 0.00 H new ATOM 0 HG13 VAL A 72 5.279 6.131 3.454 1.00 0.00 H new ATOM 0 HG21 VAL A 72 8.143 5.594 4.518 1.00 0.00 H new ATOM 0 HG22 VAL A 72 6.831 6.208 5.552 1.00 0.00 H new ATOM 0 HG23 VAL A 72 7.699 4.722 6.004 1.00 0.00 H new ATOM 1111 N GLY A 73 5.797 4.162 7.578 1.00 0.00 N ATOM 1112 CA GLY A 73 6.220 3.633 8.863 1.00 0.00 C ATOM 1113 C GLY A 73 5.155 2.707 9.453 1.00 0.00 C ATOM 1114 O GLY A 73 5.414 1.527 9.687 1.00 0.00 O ATOM 0 H GLY A 73 5.698 5.177 7.546 1.00 0.00 H new ATOM 0 HA2 GLY A 73 7.156 3.087 8.745 1.00 0.00 H new ATOM 0 HA3 GLY A 73 6.415 4.455 9.552 1.00 0.00 H new ATOM 1118 N ALA A 74 3.980 3.276 9.677 1.00 0.00 N ATOM 1119 CA ALA A 74 2.874 2.516 10.235 1.00 0.00 C ATOM 1120 C ALA A 74 2.594 1.304 9.344 1.00 0.00 C ATOM 1121 O ALA A 74 2.305 0.217 9.842 1.00 0.00 O ATOM 1122 CB ALA A 74 1.653 3.425 10.384 1.00 0.00 C ATOM 0 H ALA A 74 3.769 4.255 9.482 1.00 0.00 H new ATOM 0 HA ALA A 74 3.126 2.144 11.228 1.00 0.00 H new ATOM 0 HB1 ALA A 74 0.824 2.855 10.802 1.00 0.00 H new ATOM 0 HB2 ALA A 74 1.895 4.254 11.049 1.00 0.00 H new ATOM 0 HB3 ALA A 74 1.368 3.815 9.407 1.00 0.00 H new ATOM 1128 N MET A 75 2.688 1.531 8.043 1.00 0.00 N ATOM 1129 CA MET A 75 2.447 0.472 7.078 1.00 0.00 C ATOM 1130 C MET A 75 3.520 -0.615 7.179 1.00 0.00 C ATOM 1131 O MET A 75 3.239 -1.792 6.959 1.00 0.00 O ATOM 1132 CB MET A 75 2.446 1.058 5.665 1.00 0.00 C ATOM 1133 CG MET A 75 1.538 0.248 4.737 1.00 0.00 C ATOM 1134 SD MET A 75 2.396 -0.125 3.217 1.00 0.00 S ATOM 1135 CE MET A 75 1.124 0.289 2.034 1.00 0.00 C ATOM 0 H MET A 75 2.928 2.434 7.634 1.00 0.00 H new ATOM 0 HA MET A 75 1.478 0.022 7.295 1.00 0.00 H new ATOM 0 HB2 MET A 75 2.108 2.094 5.697 1.00 0.00 H new ATOM 0 HB3 MET A 75 3.462 1.066 5.270 1.00 0.00 H new ATOM 0 HG2 MET A 75 1.233 -0.676 5.228 1.00 0.00 H new ATOM 0 HG3 MET A 75 0.629 0.810 4.523 1.00 0.00 H new ATOM 0 HE1 MET A 75 1.495 0.113 1.024 1.00 0.00 H new ATOM 0 HE2 MET A 75 0.246 -0.332 2.211 1.00 0.00 H new ATOM 0 HE3 MET A 75 0.853 1.339 2.143 1.00 0.00 H new ATOM 1145 N THR A 76 4.727 -0.181 7.512 1.00 0.00 N ATOM 1146 CA THR A 76 5.843 -1.102 7.645 1.00 0.00 C ATOM 1147 C THR A 76 5.619 -2.044 8.829 1.00 0.00 C ATOM 1148 O THR A 76 5.692 -3.263 8.680 1.00 0.00 O ATOM 1149 CB THR A 76 7.126 -0.277 7.759 1.00 0.00 C ATOM 1150 OG1 THR A 76 7.338 0.219 6.440 1.00 0.00 O ATOM 1151 CG2 THR A 76 8.357 -1.143 8.034 1.00 0.00 C ATOM 0 H THR A 76 4.956 0.796 7.694 1.00 0.00 H new ATOM 0 HA THR A 76 5.930 -1.746 6.770 1.00 0.00 H new ATOM 0 HB THR A 76 7.015 0.458 8.556 1.00 0.00 H new ATOM 0 HG1 THR A 76 6.958 1.119 6.364 1.00 0.00 H new ATOM 0 HG21 THR A 76 9.240 -0.508 8.106 1.00 0.00 H new ATOM 0 HG22 THR A 76 8.221 -1.682 8.972 1.00 0.00 H new ATOM 0 HG23 THR A 76 8.489 -1.857 7.221 1.00 0.00 H new ATOM 1159 N VAL A 77 5.350 -1.443 9.979 1.00 0.00 N ATOM 1160 CA VAL A 77 5.115 -2.213 11.189 1.00 0.00 C ATOM 1161 C VAL A 77 3.882 -3.098 10.993 1.00 0.00 C ATOM 1162 O VAL A 77 3.919 -4.293 11.283 1.00 0.00 O ATOM 1163 CB VAL A 77 4.993 -1.275 12.391 1.00 0.00 C ATOM 1164 CG1 VAL A 77 6.296 -0.507 12.622 1.00 0.00 C ATOM 1165 CG2 VAL A 77 3.814 -0.315 12.220 1.00 0.00 C ATOM 0 H VAL A 77 5.290 -0.432 10.098 1.00 0.00 H new ATOM 0 HA VAL A 77 5.959 -2.872 11.393 1.00 0.00 H new ATOM 0 HB VAL A 77 4.803 -1.885 13.274 1.00 0.00 H new ATOM 0 HG11 VAL A 77 6.182 0.153 13.482 1.00 0.00 H new ATOM 0 HG12 VAL A 77 7.106 -1.212 12.810 1.00 0.00 H new ATOM 0 HG13 VAL A 77 6.530 0.087 11.738 1.00 0.00 H new ATOM 0 HG21 VAL A 77 3.750 0.341 13.088 1.00 0.00 H new ATOM 0 HG22 VAL A 77 3.961 0.285 11.322 1.00 0.00 H new ATOM 0 HG23 VAL A 77 2.890 -0.886 12.128 1.00 0.00 H new ATOM 1175 N GLY A 78 2.819 -2.477 10.503 1.00 0.00 N ATOM 1176 CA GLY A 78 1.578 -3.193 10.266 1.00 0.00 C ATOM 1177 C GLY A 78 1.803 -4.388 9.337 1.00 0.00 C ATOM 1178 O GLY A 78 1.382 -5.504 9.641 1.00 0.00 O ATOM 0 H GLY A 78 2.792 -1.486 10.264 1.00 0.00 H new ATOM 0 HA2 GLY A 78 1.166 -3.538 11.214 1.00 0.00 H new ATOM 0 HA3 GLY A 78 0.843 -2.519 9.826 1.00 0.00 H new ATOM 1182 N MET A 79 2.465 -4.114 8.223 1.00 0.00 N ATOM 1183 CA MET A 79 2.751 -5.153 7.248 1.00 0.00 C ATOM 1184 C MET A 79 3.598 -6.267 7.866 1.00 0.00 C ATOM 1185 O MET A 79 3.265 -7.445 7.744 1.00 0.00 O ATOM 1186 CB MET A 79 3.498 -4.545 6.058 1.00 0.00 C ATOM 1187 CG MET A 79 2.518 -4.039 4.997 1.00 0.00 C ATOM 1188 SD MET A 79 2.182 -5.330 3.811 1.00 0.00 S ATOM 1189 CE MET A 79 0.397 -5.329 3.849 1.00 0.00 C ATOM 0 H MET A 79 2.812 -3.188 7.974 1.00 0.00 H new ATOM 0 HA MET A 79 1.806 -5.582 6.915 1.00 0.00 H new ATOM 0 HB2 MET A 79 4.126 -3.722 6.400 1.00 0.00 H new ATOM 0 HB3 MET A 79 4.161 -5.291 5.620 1.00 0.00 H new ATOM 0 HG2 MET A 79 1.590 -3.718 5.471 1.00 0.00 H new ATOM 0 HG3 MET A 79 2.935 -3.168 4.491 1.00 0.00 H new ATOM 0 HE1 MET A 79 0.018 -6.083 3.160 1.00 0.00 H new ATOM 0 HE2 MET A 79 0.054 -5.555 4.859 1.00 0.00 H new ATOM 0 HE3 MET A 79 0.027 -4.348 3.552 1.00 0.00 H new ATOM 1199 N GLY A 80 4.677 -5.856 8.516 1.00 0.00 N ATOM 1200 CA GLY A 80 5.573 -6.805 9.153 1.00 0.00 C ATOM 1201 C GLY A 80 4.797 -7.788 10.033 1.00 0.00 C ATOM 1202 O GLY A 80 5.038 -8.993 9.985 1.00 0.00 O ATOM 0 H GLY A 80 4.951 -4.878 8.615 1.00 0.00 H new ATOM 0 HA2 GLY A 80 6.128 -7.353 8.392 1.00 0.00 H new ATOM 0 HA3 GLY A 80 6.305 -6.270 9.758 1.00 0.00 H new ATOM 1206 N TYR A 81 3.881 -7.236 10.814 1.00 0.00 N ATOM 1207 CA TYR A 81 3.068 -8.049 11.703 1.00 0.00 C ATOM 1208 C TYR A 81 1.928 -8.725 10.938 1.00 0.00 C ATOM 1209 O TYR A 81 1.357 -9.708 11.409 1.00 0.00 O ATOM 1210 CB TYR A 81 2.473 -7.084 12.731 1.00 0.00 C ATOM 1211 CG TYR A 81 3.506 -6.472 13.680 1.00 0.00 C ATOM 1212 CD1 TYR A 81 4.379 -7.288 14.369 1.00 0.00 C ATOM 1213 CD2 TYR A 81 3.564 -5.103 13.846 1.00 0.00 C ATOM 1214 CE1 TYR A 81 5.351 -6.712 15.262 1.00 0.00 C ATOM 1215 CE2 TYR A 81 4.535 -4.527 14.739 1.00 0.00 C ATOM 1216 CZ TYR A 81 5.381 -5.360 15.403 1.00 0.00 C ATOM 1217 OH TYR A 81 6.299 -4.816 16.246 1.00 0.00 O ATOM 0 H TYR A 81 3.683 -6.236 10.850 1.00 0.00 H new ATOM 0 HA TYR A 81 3.670 -8.833 12.164 1.00 0.00 H new ATOM 0 HB2 TYR A 81 1.958 -6.281 12.204 1.00 0.00 H new ATOM 0 HB3 TYR A 81 1.723 -7.613 13.319 1.00 0.00 H new ATOM 0 HD1 TYR A 81 4.334 -8.359 14.239 1.00 0.00 H new ATOM 0 HD2 TYR A 81 2.881 -4.464 13.306 1.00 0.00 H new ATOM 0 HE1 TYR A 81 6.040 -7.340 15.807 1.00 0.00 H new ATOM 0 HE2 TYR A 81 4.591 -3.458 14.879 1.00 0.00 H new ATOM 0 HH TYR A 81 6.205 -3.840 16.246 1.00 0.00 H new