USER MOD reduce.3.24.130724 H: found=0, std=0, add=268, rem=0, adj=4 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 GLN : amide:sc= -5.93! C(o=-5.9!,f=-7.1!) USER MOD Single : A 75 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 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 7.685 -8.416 -1.003 1.00 0.00 N ATOM 423 CA PHE A 29 7.816 -7.037 -0.566 1.00 0.00 C ATOM 424 C PHE A 29 8.610 -6.213 -1.582 1.00 0.00 C ATOM 425 O PHE A 29 8.479 -4.991 -1.635 1.00 0.00 O ATOM 426 CB PHE A 29 8.577 -7.058 0.761 1.00 0.00 C ATOM 427 CG PHE A 29 9.957 -7.713 0.677 1.00 0.00 C ATOM 428 CD1 PHE A 29 10.088 -9.051 0.882 1.00 0.00 C ATOM 429 CD2 PHE A 29 11.053 -6.958 0.396 1.00 0.00 C ATOM 430 CE1 PHE A 29 11.369 -9.660 0.804 1.00 0.00 C ATOM 431 CE2 PHE A 29 12.334 -7.566 0.317 1.00 0.00 C ATOM 432 CZ PHE A 29 12.465 -8.904 0.523 1.00 0.00 C ATOM 0 HA PHE A 29 6.830 -6.585 -0.462 1.00 0.00 H new ATOM 0 HB2 PHE A 29 8.693 -6.035 1.118 1.00 0.00 H new ATOM 0 HB3 PHE A 29 7.979 -7.588 1.502 1.00 0.00 H new ATOM 0 HD1 PHE A 29 9.218 -9.651 1.104 1.00 0.00 H new ATOM 0 HD2 PHE A 29 10.949 -5.895 0.233 1.00 0.00 H new ATOM 0 HE1 PHE A 29 11.473 -10.722 0.968 1.00 0.00 H new ATOM 0 HE2 PHE A 29 13.204 -6.966 0.093 1.00 0.00 H new ATOM 0 HZ PHE A 29 13.439 -9.367 0.464 1.00 0.00 H new ATOM 442 N VAL A 30 9.417 -6.915 -2.364 1.00 0.00 N ATOM 443 CA VAL A 30 10.232 -6.265 -3.376 1.00 0.00 C ATOM 444 C VAL A 30 9.357 -5.315 -4.196 1.00 0.00 C ATOM 445 O VAL A 30 9.704 -4.149 -4.382 1.00 0.00 O ATOM 446 CB VAL A 30 10.940 -7.316 -4.234 1.00 0.00 C ATOM 447 CG1 VAL A 30 10.911 -6.926 -5.713 1.00 0.00 C ATOM 448 CG2 VAL A 30 12.375 -7.540 -3.753 1.00 0.00 C ATOM 0 H VAL A 30 9.524 -7.928 -2.317 1.00 0.00 H new ATOM 0 HA VAL A 30 11.014 -5.666 -2.909 1.00 0.00 H new ATOM 0 HB VAL A 30 10.400 -8.257 -4.125 1.00 0.00 H new ATOM 0 HG11 VAL A 30 11.421 -7.689 -6.301 1.00 0.00 H new ATOM 0 HG12 VAL A 30 9.877 -6.841 -6.047 1.00 0.00 H new ATOM 0 HG13 VAL A 30 11.415 -5.969 -5.847 1.00 0.00 H new ATOM 0 HG21 VAL A 30 12.856 -8.291 -4.380 1.00 0.00 H new ATOM 0 HG22 VAL A 30 12.931 -6.604 -3.817 1.00 0.00 H new ATOM 0 HG23 VAL A 30 12.363 -7.884 -2.719 1.00 0.00 H new ATOM 458 N PRO A 31 8.209 -5.862 -4.678 1.00 0.00 N ATOM 459 CA PRO A 31 7.281 -5.076 -5.474 1.00 0.00 C ATOM 460 C PRO A 31 6.490 -4.106 -4.595 1.00 0.00 C ATOM 461 O PRO A 31 5.937 -3.125 -5.089 1.00 0.00 O ATOM 462 CB PRO A 31 6.399 -6.098 -6.173 1.00 0.00 C ATOM 463 CG PRO A 31 6.559 -7.391 -5.390 1.00 0.00 C ATOM 464 CD PRO A 31 7.765 -7.239 -4.478 1.00 0.00 C ATOM 0 HA PRO A 31 7.785 -4.440 -6.202 1.00 0.00 H new ATOM 0 HB2 PRO A 31 5.358 -5.774 -6.183 1.00 0.00 H new ATOM 0 HB3 PRO A 31 6.702 -6.230 -7.212 1.00 0.00 H new ATOM 0 HG2 PRO A 31 5.662 -7.596 -4.805 1.00 0.00 H new ATOM 0 HG3 PRO A 31 6.697 -8.233 -6.068 1.00 0.00 H new ATOM 0 HD2 PRO A 31 7.500 -7.422 -3.437 1.00 0.00 H new ATOM 0 HD3 PRO A 31 8.550 -7.950 -4.737 1.00 0.00 H new ATOM 472 N VAL A 32 6.462 -4.413 -3.306 1.00 0.00 N ATOM 473 CA VAL A 32 5.748 -3.580 -2.354 1.00 0.00 C ATOM 474 C VAL A 32 6.529 -2.284 -2.130 1.00 0.00 C ATOM 475 O VAL A 32 5.940 -1.209 -2.029 1.00 0.00 O ATOM 476 CB VAL A 32 5.500 -4.359 -1.060 1.00 0.00 C ATOM 477 CG1 VAL A 32 4.842 -3.471 -0.003 1.00 0.00 C ATOM 478 CG2 VAL A 32 4.659 -5.609 -1.326 1.00 0.00 C ATOM 0 H VAL A 32 6.922 -5.227 -2.899 1.00 0.00 H new ATOM 0 HA VAL A 32 4.769 -3.306 -2.746 1.00 0.00 H new ATOM 0 HB VAL A 32 6.466 -4.681 -0.672 1.00 0.00 H new ATOM 0 HG11 VAL A 32 4.677 -4.049 0.906 1.00 0.00 H new ATOM 0 HG12 VAL A 32 5.493 -2.625 0.218 1.00 0.00 H new ATOM 0 HG13 VAL A 32 3.887 -3.105 -0.379 1.00 0.00 H new ATOM 0 HG21 VAL A 32 4.497 -6.145 -0.391 1.00 0.00 H new ATOM 0 HG22 VAL A 32 3.697 -5.317 -1.748 1.00 0.00 H new ATOM 0 HG23 VAL A 32 5.182 -6.257 -2.029 1.00 0.00 H new ATOM 488 N GLY A 33 7.844 -2.428 -2.060 1.00 0.00 N ATOM 489 CA GLY A 33 8.713 -1.282 -1.850 1.00 0.00 C ATOM 490 C GLY A 33 8.859 -0.463 -3.134 1.00 0.00 C ATOM 491 O GLY A 33 8.654 0.750 -3.128 1.00 0.00 O ATOM 0 H GLY A 33 8.329 -3.321 -2.145 1.00 0.00 H new ATOM 0 HA2 GLY A 33 8.307 -0.653 -1.058 1.00 0.00 H new ATOM 0 HA3 GLY A 33 9.694 -1.621 -1.517 1.00 0.00 H new ATOM 495 N ILE A 34 9.213 -1.159 -4.205 1.00 0.00 N ATOM 496 CA ILE A 34 9.390 -0.512 -5.493 1.00 0.00 C ATOM 497 C ILE A 34 8.079 0.162 -5.905 1.00 0.00 C ATOM 498 O ILE A 34 8.042 1.370 -6.131 1.00 0.00 O ATOM 499 CB ILE A 34 9.920 -1.509 -6.526 1.00 0.00 C ATOM 500 CG1 ILE A 34 11.392 -1.835 -6.268 1.00 0.00 C ATOM 501 CG2 ILE A 34 9.687 -1.000 -7.950 1.00 0.00 C ATOM 502 CD1 ILE A 34 11.853 -3.011 -7.131 1.00 0.00 C ATOM 0 H ILE A 34 9.382 -2.165 -4.206 1.00 0.00 H new ATOM 0 HA ILE A 34 10.144 0.272 -5.425 1.00 0.00 H new ATOM 0 HB ILE A 34 9.361 -2.439 -6.421 1.00 0.00 H new ATOM 0 HG12 ILE A 34 12.005 -0.960 -6.483 1.00 0.00 H new ATOM 0 HG13 ILE A 34 11.536 -2.074 -5.214 1.00 0.00 H new ATOM 0 HG21 ILE A 34 10.073 -1.727 -8.664 1.00 0.00 H new ATOM 0 HG22 ILE A 34 8.619 -0.860 -8.116 1.00 0.00 H new ATOM 0 HG23 ILE A 34 10.203 -0.049 -8.086 1.00 0.00 H new ATOM 0 HD11 ILE A 34 12.903 -3.222 -6.928 1.00 0.00 H new ATOM 0 HD12 ILE A 34 11.254 -3.891 -6.896 1.00 0.00 H new ATOM 0 HD13 ILE A 34 11.731 -2.759 -8.184 1.00 0.00 H new ATOM 514 N ALA A 35 7.036 -0.650 -5.990 1.00 0.00 N ATOM 515 CA ALA A 35 5.726 -0.148 -6.371 1.00 0.00 C ATOM 516 C ALA A 35 5.245 0.856 -5.321 1.00 0.00 C ATOM 517 O ALA A 35 4.988 2.016 -5.638 1.00 0.00 O ATOM 518 CB ALA A 35 4.759 -1.321 -6.542 1.00 0.00 C ATOM 0 H ALA A 35 7.071 -1.652 -5.802 1.00 0.00 H new ATOM 0 HA ALA A 35 5.778 0.373 -7.327 1.00 0.00 H new ATOM 0 HB1 ALA A 35 3.777 -0.944 -6.828 1.00 0.00 H new ATOM 0 HB2 ALA A 35 5.131 -1.989 -7.319 1.00 0.00 H new ATOM 0 HB3 ALA A 35 4.679 -1.867 -5.602 1.00 0.00 H new ATOM 524 N GLY A 36 5.137 0.372 -4.092 1.00 0.00 N ATOM 525 CA GLY A 36 4.691 1.213 -2.994 1.00 0.00 C ATOM 526 C GLY A 36 5.246 2.632 -3.129 1.00 0.00 C ATOM 527 O GLY A 36 4.523 3.607 -2.930 1.00 0.00 O ATOM 0 H GLY A 36 5.351 -0.591 -3.833 1.00 0.00 H new ATOM 0 HA2 GLY A 36 3.602 1.245 -2.975 1.00 0.00 H new ATOM 0 HA3 GLY A 36 5.013 0.781 -2.047 1.00 0.00 H new ATOM 531 N PHE A 37 6.526 2.703 -3.466 1.00 0.00 N ATOM 532 CA PHE A 37 7.186 3.987 -3.630 1.00 0.00 C ATOM 533 C PHE A 37 6.636 4.735 -4.846 1.00 0.00 C ATOM 534 O PHE A 37 6.189 5.875 -4.729 1.00 0.00 O ATOM 535 CB PHE A 37 8.672 3.701 -3.852 1.00 0.00 C ATOM 536 CG PHE A 37 9.576 4.921 -3.664 1.00 0.00 C ATOM 537 CD1 PHE A 37 9.862 5.370 -2.413 1.00 0.00 C ATOM 538 CD2 PHE A 37 10.093 5.557 -4.749 1.00 0.00 C ATOM 539 CE1 PHE A 37 10.700 6.502 -2.239 1.00 0.00 C ATOM 540 CE2 PHE A 37 10.932 6.690 -4.575 1.00 0.00 C ATOM 541 CZ PHE A 37 11.218 7.138 -3.324 1.00 0.00 C ATOM 0 H PHE A 37 7.123 1.892 -3.630 1.00 0.00 H new ATOM 0 HA PHE A 37 7.018 4.607 -2.749 1.00 0.00 H new ATOM 0 HB2 PHE A 37 8.988 2.918 -3.162 1.00 0.00 H new ATOM 0 HB3 PHE A 37 8.810 3.312 -4.861 1.00 0.00 H new ATOM 0 HD1 PHE A 37 9.451 4.865 -1.551 1.00 0.00 H new ATOM 0 HD2 PHE A 37 9.866 5.201 -5.743 1.00 0.00 H new ATOM 0 HE1 PHE A 37 10.926 6.859 -1.245 1.00 0.00 H new ATOM 0 HE2 PHE A 37 11.343 7.195 -5.437 1.00 0.00 H new ATOM 0 HZ PHE A 37 11.857 7.999 -3.192 1.00 0.00 H new ATOM 551 N ALA A 38 6.687 4.063 -5.987 1.00 0.00 N ATOM 552 CA ALA A 38 6.200 4.650 -7.224 1.00 0.00 C ATOM 553 C ALA A 38 4.776 5.168 -7.011 1.00 0.00 C ATOM 554 O ALA A 38 4.516 6.360 -7.171 1.00 0.00 O ATOM 555 CB ALA A 38 6.281 3.614 -8.347 1.00 0.00 C ATOM 0 H ALA A 38 7.058 3.118 -6.081 1.00 0.00 H new ATOM 0 HA ALA A 38 6.819 5.498 -7.517 1.00 0.00 H new ATOM 0 HB1 ALA A 38 5.916 4.054 -9.275 1.00 0.00 H new ATOM 0 HB2 ALA A 38 7.316 3.299 -8.478 1.00 0.00 H new ATOM 0 HB3 ALA A 38 5.669 2.750 -8.090 1.00 0.00 H new ATOM 561 N ALA A 39 3.893 4.248 -6.654 1.00 0.00 N ATOM 562 CA ALA A 39 2.502 4.598 -6.417 1.00 0.00 C ATOM 563 C ALA A 39 2.435 5.766 -5.431 1.00 0.00 C ATOM 564 O ALA A 39 1.875 6.815 -5.744 1.00 0.00 O ATOM 565 CB ALA A 39 1.745 3.367 -5.915 1.00 0.00 C ATOM 0 H ALA A 39 4.113 3.261 -6.523 1.00 0.00 H new ATOM 0 HA ALA A 39 2.024 4.920 -7.342 1.00 0.00 H new ATOM 0 HB1 ALA A 39 0.702 3.629 -5.737 1.00 0.00 H new ATOM 0 HB2 ALA A 39 1.798 2.577 -6.664 1.00 0.00 H new ATOM 0 HB3 ALA A 39 2.195 3.017 -4.986 1.00 0.00 H new ATOM 571 N ILE A 40 3.014 5.544 -4.260 1.00 0.00 N ATOM 572 CA ILE A 40 3.027 6.565 -3.227 1.00 0.00 C ATOM 573 C ILE A 40 3.274 7.932 -3.869 1.00 0.00 C ATOM 574 O ILE A 40 2.517 8.875 -3.641 1.00 0.00 O ATOM 575 CB ILE A 40 4.036 6.208 -2.133 1.00 0.00 C ATOM 576 CG1 ILE A 40 3.451 5.181 -1.162 1.00 0.00 C ATOM 577 CG2 ILE A 40 4.529 7.464 -1.411 1.00 0.00 C ATOM 578 CD1 ILE A 40 4.557 4.497 -0.356 1.00 0.00 C ATOM 0 H ILE A 40 3.477 4.672 -4.004 1.00 0.00 H new ATOM 0 HA ILE A 40 2.058 6.616 -2.731 1.00 0.00 H new ATOM 0 HB ILE A 40 4.903 5.747 -2.605 1.00 0.00 H new ATOM 0 HG12 ILE A 40 2.753 5.672 -0.484 1.00 0.00 H new ATOM 0 HG13 ILE A 40 2.884 4.433 -1.716 1.00 0.00 H new ATOM 0 HG21 ILE A 40 5.245 7.182 -0.639 1.00 0.00 H new ATOM 0 HG22 ILE A 40 5.011 8.130 -2.127 1.00 0.00 H new ATOM 0 HG23 ILE A 40 3.683 7.976 -0.952 1.00 0.00 H new ATOM 0 HD11 ILE A 40 4.114 3.772 0.327 1.00 0.00 H new ATOM 0 HD12 ILE A 40 5.240 3.986 -1.035 1.00 0.00 H new ATOM 0 HD13 ILE A 40 5.106 5.245 0.216 1.00 0.00 H new ATOM 590 N VAL A 41 4.336 7.996 -4.659 1.00 0.00 N ATOM 591 CA VAL A 41 4.692 9.231 -5.336 1.00 0.00 C ATOM 592 C VAL A 41 3.494 9.726 -6.149 1.00 0.00 C ATOM 593 O VAL A 41 3.152 10.906 -6.102 1.00 0.00 O ATOM 594 CB VAL A 41 5.946 9.019 -6.187 1.00 0.00 C ATOM 595 CG1 VAL A 41 6.182 10.207 -7.121 1.00 0.00 C ATOM 596 CG2 VAL A 41 7.170 8.763 -5.305 1.00 0.00 C ATOM 0 H VAL A 41 4.961 7.212 -4.845 1.00 0.00 H new ATOM 0 HA VAL A 41 4.935 10.007 -4.611 1.00 0.00 H new ATOM 0 HB VAL A 41 5.787 8.135 -6.804 1.00 0.00 H new ATOM 0 HG11 VAL A 41 7.079 10.031 -7.714 1.00 0.00 H new ATOM 0 HG12 VAL A 41 5.325 10.324 -7.785 1.00 0.00 H new ATOM 0 HG13 VAL A 41 6.310 11.114 -6.531 1.00 0.00 H new ATOM 0 HG21 VAL A 41 8.048 8.616 -5.934 1.00 0.00 H new ATOM 0 HG22 VAL A 41 7.332 9.619 -4.651 1.00 0.00 H new ATOM 0 HG23 VAL A 41 7.003 7.871 -4.701 1.00 0.00 H new ATOM 606 N ALA A 42 2.890 8.798 -6.877 1.00 0.00 N ATOM 607 CA ALA A 42 1.738 9.125 -7.700 1.00 0.00 C ATOM 608 C ALA A 42 0.640 9.723 -6.818 1.00 0.00 C ATOM 609 O ALA A 42 0.223 10.861 -7.027 1.00 0.00 O ATOM 610 CB ALA A 42 1.270 7.872 -8.444 1.00 0.00 C ATOM 0 H ALA A 42 3.177 7.820 -6.914 1.00 0.00 H new ATOM 0 HA ALA A 42 2.001 9.871 -8.450 1.00 0.00 H new ATOM 0 HB1 ALA A 42 0.406 8.117 -9.061 1.00 0.00 H new ATOM 0 HB2 ALA A 42 2.076 7.503 -9.078 1.00 0.00 H new ATOM 0 HB3 ALA A 42 0.994 7.102 -7.723 1.00 0.00 H new ATOM 616 N TYR A 43 0.204 8.930 -5.850 1.00 0.00 N ATOM 617 CA TYR A 43 -0.837 9.367 -4.936 1.00 0.00 C ATOM 618 C TYR A 43 -0.561 10.784 -4.428 1.00 0.00 C ATOM 619 O TYR A 43 -1.380 11.683 -4.611 1.00 0.00 O ATOM 620 CB TYR A 43 -0.794 8.397 -3.754 1.00 0.00 C ATOM 621 CG TYR A 43 -1.965 7.413 -3.713 1.00 0.00 C ATOM 622 CD1 TYR A 43 -1.907 6.241 -4.438 1.00 0.00 C ATOM 623 CD2 TYR A 43 -3.081 7.699 -2.952 1.00 0.00 C ATOM 624 CE1 TYR A 43 -3.009 5.315 -4.400 1.00 0.00 C ATOM 625 CE2 TYR A 43 -4.183 6.773 -2.914 1.00 0.00 C ATOM 626 CZ TYR A 43 -4.093 5.627 -3.640 1.00 0.00 C ATOM 627 OH TYR A 43 -5.134 4.752 -3.604 1.00 0.00 O ATOM 0 H TYR A 43 0.553 7.987 -5.679 1.00 0.00 H new ATOM 0 HA TYR A 43 -1.806 9.376 -5.434 1.00 0.00 H new ATOM 0 HB2 TYR A 43 0.139 7.834 -3.793 1.00 0.00 H new ATOM 0 HB3 TYR A 43 -0.782 8.970 -2.827 1.00 0.00 H new ATOM 0 HD1 TYR A 43 -1.035 6.018 -5.034 1.00 0.00 H new ATOM 0 HD2 TYR A 43 -3.127 8.617 -2.385 1.00 0.00 H new ATOM 0 HE1 TYR A 43 -2.976 4.394 -4.962 1.00 0.00 H new ATOM 0 HE2 TYR A 43 -5.061 6.984 -2.322 1.00 0.00 H new ATOM 0 HH TYR A 43 -5.838 5.105 -3.020 1.00 0.00 H new ATOM 637 N GLY A 44 0.596 10.938 -3.801 1.00 0.00 N ATOM 638 CA GLY A 44 0.990 12.231 -3.266 1.00 0.00 C ATOM 639 C GLY A 44 0.874 13.323 -4.330 1.00 0.00 C ATOM 640 O GLY A 44 0.434 14.435 -4.039 1.00 0.00 O ATOM 0 H GLY A 44 1.273 10.190 -3.651 1.00 0.00 H new ATOM 0 HA2 GLY A 44 0.361 12.482 -2.412 1.00 0.00 H new ATOM 0 HA3 GLY A 44 2.016 12.181 -2.902 1.00 0.00 H new ATOM 644 N LEU A 45 1.277 12.970 -5.542 1.00 0.00 N ATOM 645 CA LEU A 45 1.224 13.906 -6.651 1.00 0.00 C ATOM 646 C LEU A 45 -0.229 14.318 -6.897 1.00 0.00 C ATOM 647 O LEU A 45 -0.529 15.504 -7.026 1.00 0.00 O ATOM 648 CB LEU A 45 1.912 13.317 -7.884 1.00 0.00 C ATOM 649 CG LEU A 45 1.793 14.132 -9.173 1.00 0.00 C ATOM 650 CD1 LEU A 45 3.104 14.106 -9.962 1.00 0.00 C ATOM 651 CD2 LEU A 45 0.608 13.656 -10.016 1.00 0.00 C ATOM 0 H LEU A 45 1.642 12.048 -5.780 1.00 0.00 H new ATOM 0 HA LEU A 45 1.777 14.813 -6.409 1.00 0.00 H new ATOM 0 HB2 LEU A 45 2.970 13.186 -7.657 1.00 0.00 H new ATOM 0 HB3 LEU A 45 1.500 12.325 -8.066 1.00 0.00 H new ATOM 0 HG LEU A 45 1.600 15.170 -8.903 1.00 0.00 H new ATOM 0 HD11 LEU A 45 2.992 14.693 -10.874 1.00 0.00 H new ATOM 0 HD12 LEU A 45 3.903 14.530 -9.354 1.00 0.00 H new ATOM 0 HD13 LEU A 45 3.352 13.077 -10.221 1.00 0.00 H new ATOM 0 HD21 LEU A 45 0.546 14.252 -10.926 1.00 0.00 H new ATOM 0 HD22 LEU A 45 0.746 12.607 -10.278 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -0.314 13.769 -9.445 1.00 0.00 H new ATOM 663 N TYR A 46 -1.093 13.315 -6.954 1.00 0.00 N ATOM 664 CA TYR A 46 -2.508 13.558 -7.182 1.00 0.00 C ATOM 665 C TYR A 46 -3.151 14.231 -5.967 1.00 0.00 C ATOM 666 O TYR A 46 -3.960 15.146 -6.116 1.00 0.00 O ATOM 667 CB TYR A 46 -3.145 12.182 -7.384 1.00 0.00 C ATOM 668 CG TYR A 46 -4.264 12.162 -8.427 1.00 0.00 C ATOM 669 CD1 TYR A 46 -5.382 12.953 -8.254 1.00 0.00 C ATOM 670 CD2 TYR A 46 -4.156 11.353 -9.540 1.00 0.00 C ATOM 671 CE1 TYR A 46 -6.436 12.934 -9.236 1.00 0.00 C ATOM 672 CE2 TYR A 46 -5.210 11.334 -10.521 1.00 0.00 C ATOM 673 CZ TYR A 46 -6.298 12.126 -10.320 1.00 0.00 C ATOM 674 OH TYR A 46 -7.293 12.108 -11.247 1.00 0.00 O ATOM 0 H TYR A 46 -0.841 12.333 -6.846 1.00 0.00 H new ATOM 0 HA TYR A 46 -2.651 14.215 -8.040 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -2.371 11.475 -7.683 1.00 0.00 H new ATOM 0 HB3 TYR A 46 -3.544 11.834 -6.431 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -5.467 13.586 -7.383 1.00 0.00 H new ATOM 0 HD2 TYR A 46 -3.281 10.734 -9.675 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -7.316 13.548 -9.113 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -5.139 10.705 -11.396 1.00 0.00 H new ATOM 0 HH TYR A 46 -7.058 11.486 -11.967 1.00 0.00 H new ATOM 684 N LYS A 47 -2.767 13.752 -4.793 1.00 0.00 N ATOM 685 CA LYS A 47 -3.296 14.296 -3.554 1.00 0.00 C ATOM 686 C LYS A 47 -3.010 15.798 -3.498 1.00 0.00 C ATOM 687 O LYS A 47 -3.873 16.583 -3.109 1.00 0.00 O ATOM 688 CB LYS A 47 -2.751 13.521 -2.353 1.00 0.00 C ATOM 689 CG LYS A 47 -3.783 12.518 -1.833 1.00 0.00 C ATOM 690 CD LYS A 47 -3.141 11.525 -0.861 1.00 0.00 C ATOM 691 CE LYS A 47 -2.880 12.179 0.498 1.00 0.00 C ATOM 692 NZ LYS A 47 -2.835 11.155 1.565 1.00 0.00 N ATOM 0 H LYS A 47 -2.096 12.993 -4.674 1.00 0.00 H new ATOM 0 HA LYS A 47 -4.379 14.176 -3.517 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -1.840 12.996 -2.638 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -2.482 14.217 -1.558 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -4.593 13.050 -1.333 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -4.225 11.978 -2.671 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -3.794 10.661 -0.734 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -2.203 11.157 -1.278 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -1.937 12.726 0.470 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -3.663 12.905 0.715 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -2.657 11.615 2.481 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -3.744 10.651 1.601 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -2.072 10.478 1.364 1.00 0.00 H new ATOM 706 N LEU A 48 -1.796 16.152 -3.891 1.00 0.00 N ATOM 707 CA LEU A 48 -1.385 17.545 -3.891 1.00 0.00 C ATOM 708 C LEU A 48 -2.535 18.411 -4.409 1.00 0.00 C ATOM 709 O LEU A 48 -3.048 19.265 -3.688 1.00 0.00 O ATOM 710 CB LEU A 48 -0.082 17.721 -4.673 1.00 0.00 C ATOM 711 CG LEU A 48 0.912 18.733 -4.101 1.00 0.00 C ATOM 712 CD1 LEU A 48 2.307 18.528 -4.697 1.00 0.00 C ATOM 713 CD2 LEU A 48 0.410 20.165 -4.296 1.00 0.00 C ATOM 0 H LEU A 48 -1.083 15.497 -4.212 1.00 0.00 H new ATOM 0 HA LEU A 48 -1.167 17.877 -2.876 1.00 0.00 H new ATOM 0 HB2 LEU A 48 0.413 16.752 -4.738 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -0.330 18.021 -5.691 1.00 0.00 H new ATOM 0 HG LEU A 48 0.992 18.564 -3.027 1.00 0.00 H new ATOM 0 HD11 LEU A 48 2.995 19.260 -4.274 1.00 0.00 H new ATOM 0 HD12 LEU A 48 2.658 17.523 -4.464 1.00 0.00 H new ATOM 0 HD13 LEU A 48 2.263 18.655 -5.779 1.00 0.00 H new ATOM 0 HD21 LEU A 48 1.135 20.865 -3.880 1.00 0.00 H new ATOM 0 HD22 LEU A 48 0.282 20.364 -5.360 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -0.546 20.288 -3.787 1.00 0.00 H new ATOM 999 N VAL A 65 5.618 14.774 2.119 1.00 0.00 N ATOM 1000 CA VAL A 65 6.650 13.751 2.134 1.00 0.00 C ATOM 1001 C VAL A 65 6.773 13.176 3.547 1.00 0.00 C ATOM 1002 O VAL A 65 6.756 11.960 3.730 1.00 0.00 O ATOM 1003 CB VAL A 65 7.966 14.327 1.607 1.00 0.00 C ATOM 1004 CG1 VAL A 65 9.113 13.330 1.788 1.00 0.00 C ATOM 1005 CG2 VAL A 65 7.832 14.749 0.143 1.00 0.00 C ATOM 0 HA VAL A 65 6.381 12.929 1.471 1.00 0.00 H new ATOM 0 HB VAL A 65 8.200 15.216 2.192 1.00 0.00 H new ATOM 0 HG11 VAL A 65 10.037 13.764 1.405 1.00 0.00 H new ATOM 0 HG12 VAL A 65 9.232 13.100 2.847 1.00 0.00 H new ATOM 0 HG13 VAL A 65 8.889 12.414 1.241 1.00 0.00 H new ATOM 0 HG21 VAL A 65 8.781 15.155 -0.207 1.00 0.00 H new ATOM 0 HG22 VAL A 65 7.562 13.883 -0.462 1.00 0.00 H new ATOM 0 HG23 VAL A 65 7.057 15.510 0.053 1.00 0.00 H new ATOM 1015 N ALA A 66 6.893 14.079 4.510 1.00 0.00 N ATOM 1016 CA ALA A 66 7.018 13.677 5.900 1.00 0.00 C ATOM 1017 C ALA A 66 5.913 12.674 6.238 1.00 0.00 C ATOM 1018 O ALA A 66 6.195 11.540 6.623 1.00 0.00 O ATOM 1019 CB ALA A 66 6.974 14.916 6.796 1.00 0.00 C ATOM 0 H ALA A 66 6.906 15.087 4.354 1.00 0.00 H new ATOM 0 HA ALA A 66 7.975 13.184 6.072 1.00 0.00 H new ATOM 0 HB1 ALA A 66 7.068 14.614 7.839 1.00 0.00 H new ATOM 0 HB2 ALA A 66 7.796 15.583 6.536 1.00 0.00 H new ATOM 0 HB3 ALA A 66 6.027 15.435 6.652 1.00 0.00 H new ATOM 1025 N ALA A 67 4.678 13.128 6.082 1.00 0.00 N ATOM 1026 CA ALA A 67 3.529 12.284 6.366 1.00 0.00 C ATOM 1027 C ALA A 67 3.677 10.959 5.615 1.00 0.00 C ATOM 1028 O ALA A 67 3.175 9.929 6.062 1.00 0.00 O ATOM 1029 CB ALA A 67 2.245 13.027 5.991 1.00 0.00 C ATOM 0 H ALA A 67 4.448 14.069 5.763 1.00 0.00 H new ATOM 0 HA ALA A 67 3.474 12.055 7.430 1.00 0.00 H new ATOM 0 HB1 ALA A 67 1.383 12.394 6.204 1.00 0.00 H new ATOM 0 HB2 ALA A 67 2.173 13.946 6.573 1.00 0.00 H new ATOM 0 HB3 ALA A 67 2.263 13.271 4.929 1.00 0.00 H new ATOM 1035 N GLN A 68 4.368 11.029 4.487 1.00 0.00 N ATOM 1036 CA GLN A 68 4.588 9.848 3.670 1.00 0.00 C ATOM 1037 C GLN A 68 5.527 8.874 4.386 1.00 0.00 C ATOM 1038 O GLN A 68 5.307 7.664 4.363 1.00 0.00 O ATOM 1039 CB GLN A 68 5.138 10.228 2.294 1.00 0.00 C ATOM 1040 CG GLN A 68 4.205 9.751 1.179 1.00 0.00 C ATOM 1041 CD GLN A 68 4.838 9.968 -0.197 1.00 0.00 C ATOM 1042 OE1 GLN A 68 5.945 9.538 -0.474 1.00 0.00 O ATOM 1043 NE2 GLN A 68 4.075 10.659 -1.040 1.00 0.00 N ATOM 0 H GLN A 68 4.783 11.885 4.120 1.00 0.00 H new ATOM 0 HA GLN A 68 3.629 9.352 3.518 1.00 0.00 H new ATOM 0 HB2 GLN A 68 5.260 11.309 2.233 1.00 0.00 H new ATOM 0 HB3 GLN A 68 6.126 9.788 2.159 1.00 0.00 H new ATOM 0 HG2 GLN A 68 3.979 8.694 1.317 1.00 0.00 H new ATOM 0 HG3 GLN A 68 3.259 10.289 1.237 1.00 0.00 H new ATOM 0 HE21 GLN A 68 3.157 10.990 -0.743 1.00 0.00 H new ATOM 0 HE22 GLN A 68 4.408 10.858 -1.983 1.00 0.00 H new ATOM 1052 N GLY A 69 6.553 9.439 5.006 1.00 0.00 N ATOM 1053 CA GLY A 69 7.525 8.636 5.727 1.00 0.00 C ATOM 1054 C GLY A 69 6.890 7.973 6.950 1.00 0.00 C ATOM 1055 O GLY A 69 7.114 6.791 7.207 1.00 0.00 O ATOM 0 H GLY A 69 6.732 10.443 5.024 1.00 0.00 H new ATOM 0 HA2 GLY A 69 7.933 7.872 5.065 1.00 0.00 H new ATOM 0 HA3 GLY A 69 8.359 9.264 6.041 1.00 0.00 H new ATOM 1059 N PHE A 70 6.109 8.763 7.673 1.00 0.00 N ATOM 1060 CA PHE A 70 5.439 8.267 8.864 1.00 0.00 C ATOM 1061 C PHE A 70 4.494 7.114 8.521 1.00 0.00 C ATOM 1062 O PHE A 70 4.644 6.009 9.039 1.00 0.00 O ATOM 1063 CB PHE A 70 4.622 9.428 9.433 1.00 0.00 C ATOM 1064 CG PHE A 70 4.141 9.205 10.868 1.00 0.00 C ATOM 1065 CD1 PHE A 70 5.024 9.270 11.900 1.00 0.00 C ATOM 1066 CD2 PHE A 70 2.829 8.942 11.112 1.00 0.00 C ATOM 1067 CE1 PHE A 70 4.578 9.063 13.232 1.00 0.00 C ATOM 1068 CE2 PHE A 70 2.382 8.735 12.444 1.00 0.00 C ATOM 1069 CZ PHE A 70 3.266 8.800 13.476 1.00 0.00 C ATOM 0 H PHE A 70 5.925 9.743 7.457 1.00 0.00 H new ATOM 0 HA PHE A 70 6.175 7.898 9.579 1.00 0.00 H new ATOM 0 HB2 PHE A 70 5.226 10.335 9.400 1.00 0.00 H new ATOM 0 HB3 PHE A 70 3.756 9.598 8.793 1.00 0.00 H new ATOM 0 HD1 PHE A 70 6.066 9.479 11.706 1.00 0.00 H new ATOM 0 HD2 PHE A 70 2.127 8.891 10.293 1.00 0.00 H new ATOM 0 HE1 PHE A 70 5.280 9.114 14.051 1.00 0.00 H new ATOM 0 HE2 PHE A 70 1.340 8.526 12.638 1.00 0.00 H new ATOM 0 HZ PHE A 70 2.926 8.643 14.489 1.00 0.00 H new ATOM 1079 N VAL A 71 3.541 7.411 7.650 1.00 0.00 N ATOM 1080 CA VAL A 71 2.572 6.413 7.231 1.00 0.00 C ATOM 1081 C VAL A 71 3.310 5.192 6.678 1.00 0.00 C ATOM 1082 O VAL A 71 2.892 4.057 6.900 1.00 0.00 O ATOM 1083 CB VAL A 71 1.591 7.024 6.229 1.00 0.00 C ATOM 1084 CG1 VAL A 71 0.705 5.946 5.602 1.00 0.00 C ATOM 1085 CG2 VAL A 71 0.744 8.116 6.886 1.00 0.00 C ATOM 0 H VAL A 71 3.419 8.329 7.223 1.00 0.00 H new ATOM 0 HA VAL A 71 1.979 6.076 8.081 1.00 0.00 H new ATOM 0 HB VAL A 71 2.172 7.486 5.431 1.00 0.00 H new ATOM 0 HG11 VAL A 71 0.017 6.407 4.894 1.00 0.00 H new ATOM 0 HG12 VAL A 71 1.329 5.220 5.081 1.00 0.00 H new ATOM 0 HG13 VAL A 71 0.137 5.442 6.384 1.00 0.00 H new ATOM 0 HG21 VAL A 71 0.055 8.534 6.152 1.00 0.00 H new ATOM 0 HG22 VAL A 71 0.177 7.689 7.713 1.00 0.00 H new ATOM 0 HG23 VAL A 71 1.395 8.905 7.262 1.00 0.00 H new ATOM 1095 N VAL A 72 4.394 5.468 5.968 1.00 0.00 N ATOM 1096 CA VAL A 72 5.194 4.406 5.381 1.00 0.00 C ATOM 1097 C VAL A 72 5.639 3.441 6.482 1.00 0.00 C ATOM 1098 O VAL A 72 5.348 2.248 6.422 1.00 0.00 O ATOM 1099 CB VAL A 72 6.365 5.004 4.600 1.00 0.00 C ATOM 1100 CG1 VAL A 72 7.538 4.024 4.535 1.00 0.00 C ATOM 1101 CG2 VAL A 72 5.929 5.430 3.197 1.00 0.00 C ATOM 0 H VAL A 72 4.737 6.411 5.786 1.00 0.00 H new ATOM 0 HA VAL A 72 4.603 3.833 4.666 1.00 0.00 H new ATOM 0 HB VAL A 72 6.701 5.895 5.131 1.00 0.00 H new ATOM 0 HG11 VAL A 72 8.357 4.474 3.974 1.00 0.00 H new ATOM 0 HG12 VAL A 72 7.874 3.792 5.545 1.00 0.00 H new ATOM 0 HG13 VAL A 72 7.219 3.107 4.039 1.00 0.00 H new ATOM 0 HG21 VAL A 72 6.781 5.852 2.664 1.00 0.00 H new ATOM 0 HG22 VAL A 72 5.554 4.563 2.654 1.00 0.00 H new ATOM 0 HG23 VAL A 72 5.141 6.179 3.273 1.00 0.00 H new ATOM 1111 N GLY A 73 6.339 3.994 7.462 1.00 0.00 N ATOM 1112 CA GLY A 73 6.827 3.198 8.574 1.00 0.00 C ATOM 1113 C GLY A 73 5.700 2.367 9.191 1.00 0.00 C ATOM 1114 O GLY A 73 5.857 1.168 9.413 1.00 0.00 O ATOM 0 H GLY A 73 6.580 4.984 7.508 1.00 0.00 H new ATOM 0 HA2 GLY A 73 7.624 2.538 8.231 1.00 0.00 H new ATOM 0 HA3 GLY A 73 7.258 3.852 9.332 1.00 0.00 H new ATOM 1118 N ALA A 74 4.588 3.039 9.451 1.00 0.00 N ATOM 1119 CA ALA A 74 3.434 2.378 10.038 1.00 0.00 C ATOM 1120 C ALA A 74 3.044 1.179 9.172 1.00 0.00 C ATOM 1121 O ALA A 74 2.976 0.052 9.660 1.00 0.00 O ATOM 1122 CB ALA A 74 2.292 3.384 10.190 1.00 0.00 C ATOM 0 H ALA A 74 4.461 4.034 9.266 1.00 0.00 H new ATOM 0 HA ALA A 74 3.672 2.002 11.033 1.00 0.00 H new ATOM 0 HB1 ALA A 74 1.427 2.888 10.630 1.00 0.00 H new ATOM 0 HB2 ALA A 74 2.611 4.201 10.837 1.00 0.00 H new ATOM 0 HB3 ALA A 74 2.024 3.781 9.211 1.00 0.00 H new ATOM 1128 N MET A 75 2.797 1.462 7.902 1.00 0.00 N ATOM 1129 CA MET A 75 2.415 0.421 6.963 1.00 0.00 C ATOM 1130 C MET A 75 3.301 -0.816 7.126 1.00 0.00 C ATOM 1131 O MET A 75 2.801 -1.917 7.351 1.00 0.00 O ATOM 1132 CB MET A 75 2.537 0.952 5.533 1.00 0.00 C ATOM 1133 CG MET A 75 1.207 1.536 5.051 1.00 0.00 C ATOM 1134 SD MET A 75 0.693 0.722 3.548 1.00 0.00 S ATOM 1135 CE MET A 75 -1.060 1.056 3.598 1.00 0.00 C ATOM 0 H MET A 75 2.854 2.398 7.501 1.00 0.00 H new ATOM 0 HA MET A 75 1.383 0.135 7.166 1.00 0.00 H new ATOM 0 HB2 MET A 75 3.312 1.718 5.490 1.00 0.00 H new ATOM 0 HB3 MET A 75 2.848 0.147 4.867 1.00 0.00 H new ATOM 0 HG2 MET A 75 0.445 1.412 5.821 1.00 0.00 H new ATOM 0 HG3 MET A 75 1.312 2.607 4.877 1.00 0.00 H new ATOM 0 HE1 MET A 75 -1.540 0.614 2.725 1.00 0.00 H new ATOM 0 HE2 MET A 75 -1.487 0.625 4.503 1.00 0.00 H new ATOM 0 HE3 MET A 75 -1.225 2.133 3.597 1.00 0.00 H new ATOM 1145 N THR A 76 4.602 -0.593 7.005 1.00 0.00 N ATOM 1146 CA THR A 76 5.562 -1.675 7.135 1.00 0.00 C ATOM 1147 C THR A 76 5.293 -2.476 8.411 1.00 0.00 C ATOM 1148 O THR A 76 5.217 -3.703 8.373 1.00 0.00 O ATOM 1149 CB THR A 76 6.966 -1.070 7.083 1.00 0.00 C ATOM 1150 OG1 THR A 76 7.147 -0.730 5.711 1.00 0.00 O ATOM 1151 CG2 THR A 76 8.060 -2.104 7.358 1.00 0.00 C ATOM 0 H THR A 76 5.013 0.322 6.818 1.00 0.00 H new ATOM 0 HA THR A 76 5.468 -2.387 6.315 1.00 0.00 H new ATOM 0 HB THR A 76 7.040 -0.262 7.810 1.00 0.00 H new ATOM 0 HG1 THR A 76 8.033 -0.329 5.587 1.00 0.00 H new ATOM 0 HG21 THR A 76 9.037 -1.622 7.309 1.00 0.00 H new ATOM 0 HG22 THR A 76 7.916 -2.531 8.350 1.00 0.00 H new ATOM 0 HG23 THR A 76 8.008 -2.896 6.611 1.00 0.00 H new ATOM 1159 N VAL A 77 5.156 -1.749 9.510 1.00 0.00 N ATOM 1160 CA VAL A 77 4.896 -2.376 10.795 1.00 0.00 C ATOM 1161 C VAL A 77 3.694 -3.314 10.666 1.00 0.00 C ATOM 1162 O VAL A 77 3.753 -4.466 11.092 1.00 0.00 O ATOM 1163 CB VAL A 77 4.707 -1.305 11.871 1.00 0.00 C ATOM 1164 CG1 VAL A 77 4.175 -1.920 13.167 1.00 0.00 C ATOM 1165 CG2 VAL A 77 6.010 -0.542 12.120 1.00 0.00 C ATOM 0 H VAL A 77 5.220 -0.731 9.537 1.00 0.00 H new ATOM 0 HA VAL A 77 5.748 -2.981 11.105 1.00 0.00 H new ATOM 0 HB VAL A 77 3.966 -0.592 11.509 1.00 0.00 H new ATOM 0 HG11 VAL A 77 4.049 -1.138 13.916 1.00 0.00 H new ATOM 0 HG12 VAL A 77 3.214 -2.397 12.976 1.00 0.00 H new ATOM 0 HG13 VAL A 77 4.882 -2.664 13.534 1.00 0.00 H new ATOM 0 HG21 VAL A 77 5.848 0.213 12.889 1.00 0.00 H new ATOM 0 HG22 VAL A 77 6.781 -1.237 12.451 1.00 0.00 H new ATOM 0 HG23 VAL A 77 6.330 -0.058 11.197 1.00 0.00 H new ATOM 1175 N GLY A 78 2.632 -2.785 10.077 1.00 0.00 N ATOM 1176 CA GLY A 78 1.418 -3.560 9.887 1.00 0.00 C ATOM 1177 C GLY A 78 1.716 -4.880 9.172 1.00 0.00 C ATOM 1178 O GLY A 78 1.303 -5.945 9.629 1.00 0.00 O ATOM 0 H GLY A 78 2.587 -1.829 9.725 1.00 0.00 H new ATOM 0 HA2 GLY A 78 0.956 -3.762 10.854 1.00 0.00 H new ATOM 0 HA3 GLY A 78 0.700 -2.981 9.306 1.00 0.00 H new ATOM 1182 N MET A 79 2.432 -4.767 8.063 1.00 0.00 N ATOM 1183 CA MET A 79 2.790 -5.938 7.281 1.00 0.00 C ATOM 1184 C MET A 79 3.465 -6.996 8.156 1.00 0.00 C ATOM 1185 O MET A 79 3.071 -8.162 8.141 1.00 0.00 O ATOM 1186 CB MET A 79 3.739 -5.527 6.153 1.00 0.00 C ATOM 1187 CG MET A 79 3.275 -6.097 4.811 1.00 0.00 C ATOM 1188 SD MET A 79 4.682 -6.391 3.753 1.00 0.00 S ATOM 1189 CE MET A 79 3.998 -7.630 2.665 1.00 0.00 C ATOM 0 H MET A 79 2.774 -3.882 7.687 1.00 0.00 H new ATOM 0 HA MET A 79 1.879 -6.366 6.864 1.00 0.00 H new ATOM 0 HB2 MET A 79 3.789 -4.440 6.093 1.00 0.00 H new ATOM 0 HB3 MET A 79 4.746 -5.880 6.373 1.00 0.00 H new ATOM 0 HG2 MET A 79 2.729 -7.027 4.971 1.00 0.00 H new ATOM 0 HG3 MET A 79 2.587 -5.402 4.330 1.00 0.00 H new ATOM 0 HE1 MET A 79 4.750 -7.929 1.935 1.00 0.00 H new ATOM 0 HE2 MET A 79 3.694 -8.499 3.249 1.00 0.00 H new ATOM 0 HE3 MET A 79 3.132 -7.220 2.146 1.00 0.00 H new ATOM 1199 N GLY A 80 4.469 -6.553 8.898 1.00 0.00 N ATOM 1200 CA GLY A 80 5.201 -7.447 9.778 1.00 0.00 C ATOM 1201 C GLY A 80 4.260 -8.133 10.770 1.00 0.00 C ATOM 1202 O GLY A 80 4.415 -9.318 11.061 1.00 0.00 O ATOM 0 H GLY A 80 4.793 -5.586 8.908 1.00 0.00 H new ATOM 0 HA2 GLY A 80 5.722 -8.199 9.186 1.00 0.00 H new ATOM 0 HA3 GLY A 80 5.961 -6.886 10.321 1.00 0.00 H new ATOM 1206 N TYR A 81 3.304 -7.358 11.262 1.00 0.00 N ATOM 1207 CA TYR A 81 2.338 -7.876 12.215 1.00 0.00 C ATOM 1208 C TYR A 81 1.376 -8.857 11.543 1.00 0.00 C ATOM 1209 O TYR A 81 0.795 -9.715 12.205 1.00 0.00 O ATOM 1210 CB TYR A 81 1.546 -6.665 12.713 1.00 0.00 C ATOM 1211 CG TYR A 81 1.080 -6.781 14.166 1.00 0.00 C ATOM 1212 CD1 TYR A 81 -0.139 -7.361 14.455 1.00 0.00 C ATOM 1213 CD2 TYR A 81 1.877 -6.306 15.187 1.00 0.00 C ATOM 1214 CE1 TYR A 81 -0.578 -7.471 15.822 1.00 0.00 C ATOM 1215 CE2 TYR A 81 1.438 -6.415 16.554 1.00 0.00 C ATOM 1216 CZ TYR A 81 0.232 -6.992 16.804 1.00 0.00 C ATOM 1217 OH TYR A 81 -0.183 -7.096 18.095 1.00 0.00 O ATOM 0 H TYR A 81 3.178 -6.376 11.018 1.00 0.00 H new ATOM 0 HA TYR A 81 2.843 -8.407 13.022 1.00 0.00 H new ATOM 0 HB2 TYR A 81 2.164 -5.773 12.610 1.00 0.00 H new ATOM 0 HB3 TYR A 81 0.675 -6.525 12.073 1.00 0.00 H new ATOM 0 HD1 TYR A 81 -0.763 -7.732 13.656 1.00 0.00 H new ATOM 0 HD2 TYR A 81 2.831 -5.852 14.961 1.00 0.00 H new ATOM 0 HE1 TYR A 81 -1.529 -7.924 16.062 1.00 0.00 H new ATOM 0 HE2 TYR A 81 2.052 -6.047 17.362 1.00 0.00 H new ATOM 0 HH TYR A 81 0.496 -6.714 18.689 1.00 0.00 H new