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+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 GLN : amide:sc= -0.0459 K(o=-0.046,f=-1.1) USER MOD Single : A 75 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 76 THR OG1 : rot 86:sc= 0.0968 USER MOD Single : A 79 MET CE :methyl -178:sc= 0 (180deg=-0.00634) USER MOD Single : A 81 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 422 N PHE A 29 8.347 -8.779 -1.375 1.00 0.00 N ATOM 423 CA PHE A 29 8.172 -7.373 -1.055 1.00 0.00 C ATOM 424 C PHE A 29 8.937 -6.487 -2.042 1.00 0.00 C ATOM 425 O PHE A 29 8.753 -5.271 -2.061 1.00 0.00 O ATOM 426 CB PHE A 29 8.741 -7.160 0.349 1.00 0.00 C ATOM 427 CG PHE A 29 10.233 -7.472 0.471 1.00 0.00 C ATOM 428 CD1 PHE A 29 10.641 -8.733 0.775 1.00 0.00 C ATOM 429 CD2 PHE A 29 11.152 -6.489 0.274 1.00 0.00 C ATOM 430 CE1 PHE A 29 12.027 -9.023 0.888 1.00 0.00 C ATOM 431 CE2 PHE A 29 12.538 -6.779 0.387 1.00 0.00 C ATOM 432 CZ PHE A 29 12.946 -8.040 0.691 1.00 0.00 C ATOM 0 HA PHE A 29 7.116 -7.107 -1.111 1.00 0.00 H new ATOM 0 HB2 PHE A 29 8.572 -6.125 0.645 1.00 0.00 H new ATOM 0 HB3 PHE A 29 8.191 -7.786 1.051 1.00 0.00 H new ATOM 0 HD1 PHE A 29 9.911 -9.514 0.931 1.00 0.00 H new ATOM 0 HD2 PHE A 29 10.828 -5.488 0.032 1.00 0.00 H new ATOM 0 HE1 PHE A 29 12.351 -10.024 1.130 1.00 0.00 H new ATOM 0 HE2 PHE A 29 13.268 -5.998 0.231 1.00 0.00 H new ATOM 0 HZ PHE A 29 14.000 -8.261 0.776 1.00 0.00 H new ATOM 442 N VAL A 30 9.778 -7.132 -2.836 1.00 0.00 N ATOM 443 CA VAL A 30 10.571 -6.418 -3.823 1.00 0.00 C ATOM 444 C VAL A 30 9.663 -5.480 -4.620 1.00 0.00 C ATOM 445 O VAL A 30 9.944 -4.288 -4.736 1.00 0.00 O ATOM 446 CB VAL A 30 11.326 -7.414 -4.707 1.00 0.00 C ATOM 447 CG1 VAL A 30 11.243 -7.010 -6.181 1.00 0.00 C ATOM 448 CG2 VAL A 30 12.782 -7.552 -4.257 1.00 0.00 C ATOM 0 H VAL A 30 9.928 -8.141 -2.817 1.00 0.00 H new ATOM 0 HA VAL A 30 11.325 -5.801 -3.334 1.00 0.00 H new ATOM 0 HB VAL A 30 10.849 -8.388 -4.599 1.00 0.00 H new ATOM 0 HG11 VAL A 30 11.787 -7.734 -6.788 1.00 0.00 H new ATOM 0 HG12 VAL A 30 10.199 -6.986 -6.494 1.00 0.00 H new ATOM 0 HG13 VAL A 30 11.684 -6.022 -6.313 1.00 0.00 H new ATOM 0 HG21 VAL A 30 13.296 -8.265 -4.901 1.00 0.00 H new ATOM 0 HG22 VAL A 30 13.276 -6.583 -4.322 1.00 0.00 H new ATOM 0 HG23 VAL A 30 12.812 -7.906 -3.227 1.00 0.00 H new ATOM 458 N PRO A 31 8.563 -6.069 -5.162 1.00 0.00 N ATOM 459 CA PRO A 31 7.611 -5.299 -5.945 1.00 0.00 C ATOM 460 C PRO A 31 6.740 -4.424 -5.042 1.00 0.00 C ATOM 461 O PRO A 31 6.108 -3.478 -5.510 1.00 0.00 O ATOM 462 CB PRO A 31 6.812 -6.333 -6.721 1.00 0.00 C ATOM 463 CG PRO A 31 7.028 -7.653 -6.000 1.00 0.00 C ATOM 464 CD PRO A 31 8.198 -7.478 -5.046 1.00 0.00 C ATOM 0 HA PRO A 31 8.095 -4.598 -6.625 1.00 0.00 H new ATOM 0 HB2 PRO A 31 5.754 -6.071 -6.747 1.00 0.00 H new ATOM 0 HB3 PRO A 31 7.151 -6.393 -7.755 1.00 0.00 H new ATOM 0 HG2 PRO A 31 6.130 -7.941 -5.454 1.00 0.00 H new ATOM 0 HG3 PRO A 31 7.235 -8.449 -6.715 1.00 0.00 H new ATOM 0 HD2 PRO A 31 7.917 -7.731 -4.024 1.00 0.00 H new ATOM 0 HD3 PRO A 31 9.031 -8.127 -5.318 1.00 0.00 H new ATOM 472 N VAL A 32 6.734 -4.770 -3.763 1.00 0.00 N ATOM 473 CA VAL A 32 5.951 -4.028 -2.790 1.00 0.00 C ATOM 474 C VAL A 32 6.623 -2.680 -2.522 1.00 0.00 C ATOM 475 O VAL A 32 5.953 -1.650 -2.459 1.00 0.00 O ATOM 476 CB VAL A 32 5.761 -4.865 -1.523 1.00 0.00 C ATOM 477 CG1 VAL A 32 5.081 -4.047 -0.423 1.00 0.00 C ATOM 478 CG2 VAL A 32 4.975 -6.142 -1.822 1.00 0.00 C ATOM 0 H VAL A 32 7.259 -5.555 -3.378 1.00 0.00 H new ATOM 0 HA VAL A 32 4.954 -3.822 -3.179 1.00 0.00 H new ATOM 0 HB VAL A 32 6.748 -5.156 -1.163 1.00 0.00 H new ATOM 0 HG11 VAL A 32 4.958 -4.665 0.466 1.00 0.00 H new ATOM 0 HG12 VAL A 32 5.697 -3.181 -0.181 1.00 0.00 H new ATOM 0 HG13 VAL A 32 4.104 -3.712 -0.770 1.00 0.00 H new ATOM 0 HG21 VAL A 32 4.854 -6.718 -0.905 1.00 0.00 H new ATOM 0 HG22 VAL A 32 3.994 -5.881 -2.218 1.00 0.00 H new ATOM 0 HG23 VAL A 32 5.516 -6.739 -2.557 1.00 0.00 H new ATOM 488 N GLY A 33 7.938 -2.731 -2.371 1.00 0.00 N ATOM 489 CA GLY A 33 8.708 -1.527 -2.110 1.00 0.00 C ATOM 490 C GLY A 33 8.865 -0.690 -3.382 1.00 0.00 C ATOM 491 O GLY A 33 8.697 0.528 -3.352 1.00 0.00 O ATOM 0 H GLY A 33 8.490 -3.587 -2.424 1.00 0.00 H new ATOM 0 HA2 GLY A 33 8.214 -0.935 -1.339 1.00 0.00 H new ATOM 0 HA3 GLY A 33 9.691 -1.796 -1.724 1.00 0.00 H new ATOM 495 N ILE A 34 9.184 -1.377 -4.469 1.00 0.00 N ATOM 496 CA ILE A 34 9.364 -0.713 -5.748 1.00 0.00 C ATOM 497 C ILE A 34 8.046 -0.063 -6.171 1.00 0.00 C ATOM 498 O ILE A 34 7.971 1.155 -6.324 1.00 0.00 O ATOM 499 CB ILE A 34 9.929 -1.688 -6.783 1.00 0.00 C ATOM 500 CG1 ILE A 34 11.398 -2.004 -6.495 1.00 0.00 C ATOM 501 CG2 ILE A 34 9.724 -1.159 -8.204 1.00 0.00 C ATOM 502 CD1 ILE A 34 12.311 -0.894 -7.020 1.00 0.00 C ATOM 0 H ILE A 34 9.322 -2.387 -4.490 1.00 0.00 H new ATOM 0 HA ILE A 34 10.100 0.086 -5.662 1.00 0.00 H new ATOM 0 HB ILE A 34 9.378 -2.625 -6.706 1.00 0.00 H new ATOM 0 HG12 ILE A 34 11.544 -2.123 -5.421 1.00 0.00 H new ATOM 0 HG13 ILE A 34 11.668 -2.952 -6.960 1.00 0.00 H new ATOM 0 HG21 ILE A 34 10.135 -1.871 -8.920 1.00 0.00 H new ATOM 0 HG22 ILE A 34 8.659 -1.028 -8.393 1.00 0.00 H new ATOM 0 HG23 ILE A 34 10.233 -0.201 -8.313 1.00 0.00 H new ATOM 0 HD11 ILE A 34 13.349 -1.144 -6.802 1.00 0.00 H new ATOM 0 HD12 ILE A 34 12.180 -0.794 -8.097 1.00 0.00 H new ATOM 0 HD13 ILE A 34 12.055 0.048 -6.535 1.00 0.00 H new ATOM 514 N ALA A 35 7.038 -0.904 -6.348 1.00 0.00 N ATOM 515 CA ALA A 35 5.726 -0.427 -6.750 1.00 0.00 C ATOM 516 C ALA A 35 5.166 0.491 -5.661 1.00 0.00 C ATOM 517 O ALA A 35 4.473 1.462 -5.959 1.00 0.00 O ATOM 518 CB ALA A 35 4.812 -1.621 -7.033 1.00 0.00 C ATOM 0 H ALA A 35 7.104 -1.914 -6.220 1.00 0.00 H new ATOM 0 HA ALA A 35 5.795 0.155 -7.669 1.00 0.00 H new ATOM 0 HB1 ALA A 35 3.828 -1.262 -7.335 1.00 0.00 H new ATOM 0 HB2 ALA A 35 5.239 -2.225 -7.834 1.00 0.00 H new ATOM 0 HB3 ALA A 35 4.717 -2.228 -6.133 1.00 0.00 H new ATOM 524 N GLY A 36 5.488 0.150 -4.422 1.00 0.00 N ATOM 525 CA GLY A 36 5.025 0.930 -3.287 1.00 0.00 C ATOM 526 C GLY A 36 5.578 2.356 -3.340 1.00 0.00 C ATOM 527 O GLY A 36 4.862 3.314 -3.055 1.00 0.00 O ATOM 0 H GLY A 36 6.064 -0.656 -4.179 1.00 0.00 H new ATOM 0 HA2 GLY A 36 3.935 0.959 -3.281 1.00 0.00 H new ATOM 0 HA3 GLY A 36 5.336 0.449 -2.360 1.00 0.00 H new ATOM 531 N PHE A 37 6.848 2.451 -3.708 1.00 0.00 N ATOM 532 CA PHE A 37 7.505 3.743 -3.802 1.00 0.00 C ATOM 533 C PHE A 37 6.922 4.572 -4.948 1.00 0.00 C ATOM 534 O PHE A 37 6.489 5.705 -4.742 1.00 0.00 O ATOM 535 CB PHE A 37 8.984 3.473 -4.086 1.00 0.00 C ATOM 536 CG PHE A 37 9.898 4.671 -3.818 1.00 0.00 C ATOM 537 CD1 PHE A 37 9.996 5.184 -2.563 1.00 0.00 C ATOM 538 CD2 PHE A 37 10.611 5.222 -4.836 1.00 0.00 C ATOM 539 CE1 PHE A 37 10.844 6.296 -2.315 1.00 0.00 C ATOM 540 CE2 PHE A 37 11.459 6.334 -4.589 1.00 0.00 C ATOM 541 CZ PHE A 37 11.558 6.848 -3.333 1.00 0.00 C ATOM 0 H PHE A 37 7.439 1.654 -3.944 1.00 0.00 H new ATOM 0 HA PHE A 37 7.363 4.301 -2.876 1.00 0.00 H new ATOM 0 HB2 PHE A 37 9.314 2.633 -3.474 1.00 0.00 H new ATOM 0 HB3 PHE A 37 9.094 3.171 -5.127 1.00 0.00 H new ATOM 0 HD1 PHE A 37 9.429 4.746 -1.755 1.00 0.00 H new ATOM 0 HD2 PHE A 37 10.532 4.814 -5.833 1.00 0.00 H new ATOM 0 HE1 PHE A 37 10.922 6.704 -1.318 1.00 0.00 H new ATOM 0 HE2 PHE A 37 12.025 6.772 -5.398 1.00 0.00 H new ATOM 0 HZ PHE A 37 12.203 7.694 -3.144 1.00 0.00 H new ATOM 551 N ALA A 38 6.929 3.976 -6.131 1.00 0.00 N ATOM 552 CA ALA A 38 6.406 4.645 -7.310 1.00 0.00 C ATOM 553 C ALA A 38 4.962 5.077 -7.048 1.00 0.00 C ATOM 554 O ALA A 38 4.625 6.250 -7.195 1.00 0.00 O ATOM 555 CB ALA A 38 6.527 3.717 -8.520 1.00 0.00 C ATOM 0 H ALA A 38 7.289 3.036 -6.299 1.00 0.00 H new ATOM 0 HA ALA A 38 6.984 5.543 -7.529 1.00 0.00 H new ATOM 0 HB1 ALA A 38 6.135 4.219 -9.404 1.00 0.00 H new ATOM 0 HB2 ALA A 38 7.575 3.464 -8.681 1.00 0.00 H new ATOM 0 HB3 ALA A 38 5.958 2.805 -8.338 1.00 0.00 H new ATOM 561 N ALA A 39 4.148 4.104 -6.664 1.00 0.00 N ATOM 562 CA ALA A 39 2.748 4.369 -6.380 1.00 0.00 C ATOM 563 C ALA A 39 2.646 5.479 -5.332 1.00 0.00 C ATOM 564 O ALA A 39 2.017 6.508 -5.572 1.00 0.00 O ATOM 565 CB ALA A 39 2.065 3.076 -5.929 1.00 0.00 C ATOM 0 H ALA A 39 4.431 3.132 -6.543 1.00 0.00 H new ATOM 0 HA ALA A 39 2.233 4.714 -7.276 1.00 0.00 H new ATOM 0 HB1 ALA A 39 1.015 3.275 -5.716 1.00 0.00 H new ATOM 0 HB2 ALA A 39 2.140 2.330 -6.720 1.00 0.00 H new ATOM 0 HB3 ALA A 39 2.553 2.701 -5.029 1.00 0.00 H new ATOM 571 N ILE A 40 3.273 5.231 -4.191 1.00 0.00 N ATOM 572 CA ILE A 40 3.260 6.197 -3.106 1.00 0.00 C ATOM 573 C ILE A 40 3.415 7.606 -3.680 1.00 0.00 C ATOM 574 O ILE A 40 2.671 8.515 -3.316 1.00 0.00 O ATOM 575 CB ILE A 40 4.318 5.840 -2.059 1.00 0.00 C ATOM 576 CG1 ILE A 40 3.807 4.752 -1.112 1.00 0.00 C ATOM 577 CG2 ILE A 40 4.783 7.086 -1.302 1.00 0.00 C ATOM 578 CD1 ILE A 40 4.961 4.116 -0.335 1.00 0.00 C ATOM 0 H ILE A 40 3.793 4.376 -3.995 1.00 0.00 H new ATOM 0 HA ILE A 40 2.304 6.169 -2.583 1.00 0.00 H new ATOM 0 HB ILE A 40 5.187 5.434 -2.577 1.00 0.00 H new ATOM 0 HG12 ILE A 40 3.087 5.180 -0.415 1.00 0.00 H new ATOM 0 HG13 ILE A 40 3.282 3.986 -1.682 1.00 0.00 H new ATOM 0 HG21 ILE A 40 5.534 6.804 -0.564 1.00 0.00 H new ATOM 0 HG22 ILE A 40 5.214 7.799 -2.005 1.00 0.00 H new ATOM 0 HG23 ILE A 40 3.932 7.543 -0.797 1.00 0.00 H new ATOM 0 HD11 ILE A 40 4.571 3.346 0.331 1.00 0.00 H new ATOM 0 HD12 ILE A 40 5.667 3.667 -1.034 1.00 0.00 H new ATOM 0 HD13 ILE A 40 5.469 4.881 0.253 1.00 0.00 H new ATOM 590 N VAL A 41 4.388 7.745 -4.570 1.00 0.00 N ATOM 591 CA VAL A 41 4.650 9.028 -5.199 1.00 0.00 C ATOM 592 C VAL A 41 3.392 9.498 -5.932 1.00 0.00 C ATOM 593 O VAL A 41 2.938 10.624 -5.735 1.00 0.00 O ATOM 594 CB VAL A 41 5.871 8.922 -6.114 1.00 0.00 C ATOM 595 CG1 VAL A 41 6.123 10.242 -6.846 1.00 0.00 C ATOM 596 CG2 VAL A 41 7.109 8.486 -5.328 1.00 0.00 C ATOM 0 H VAL A 41 5.004 6.989 -4.870 1.00 0.00 H new ATOM 0 HA VAL A 41 4.888 9.781 -4.447 1.00 0.00 H new ATOM 0 HB VAL A 41 5.664 8.158 -6.863 1.00 0.00 H new ATOM 0 HG11 VAL A 41 6.997 10.140 -7.490 1.00 0.00 H new ATOM 0 HG12 VAL A 41 5.253 10.494 -7.452 1.00 0.00 H new ATOM 0 HG13 VAL A 41 6.299 11.034 -6.118 1.00 0.00 H new ATOM 0 HG21 VAL A 41 7.963 8.418 -6.002 1.00 0.00 H new ATOM 0 HG22 VAL A 41 7.320 9.217 -4.547 1.00 0.00 H new ATOM 0 HG23 VAL A 41 6.927 7.512 -4.874 1.00 0.00 H new ATOM 606 N ALA A 42 2.864 8.611 -6.763 1.00 0.00 N ATOM 607 CA ALA A 42 1.668 8.922 -7.527 1.00 0.00 C ATOM 608 C ALA A 42 0.571 9.403 -6.576 1.00 0.00 C ATOM 609 O ALA A 42 0.085 10.526 -6.700 1.00 0.00 O ATOM 610 CB ALA A 42 1.243 7.692 -8.332 1.00 0.00 C ATOM 0 H ALA A 42 3.242 7.678 -6.924 1.00 0.00 H new ATOM 0 HA ALA A 42 1.864 9.725 -8.237 1.00 0.00 H new ATOM 0 HB1 ALA A 42 0.346 7.925 -8.905 1.00 0.00 H new ATOM 0 HB2 ALA A 42 2.045 7.408 -9.013 1.00 0.00 H new ATOM 0 HB3 ALA A 42 1.035 6.866 -7.652 1.00 0.00 H new ATOM 616 N TYR A 43 0.213 8.530 -5.646 1.00 0.00 N ATOM 617 CA TYR A 43 -0.818 8.852 -4.673 1.00 0.00 C ATOM 618 C TYR A 43 -0.587 10.239 -4.070 1.00 0.00 C ATOM 619 O TYR A 43 -1.501 11.062 -4.029 1.00 0.00 O ATOM 620 CB TYR A 43 -0.697 7.801 -3.568 1.00 0.00 C ATOM 621 CG TYR A 43 -2.013 7.507 -2.844 1.00 0.00 C ATOM 622 CD1 TYR A 43 -3.124 7.117 -3.563 1.00 0.00 C ATOM 623 CD2 TYR A 43 -2.088 7.631 -1.471 1.00 0.00 C ATOM 624 CE1 TYR A 43 -4.362 6.840 -2.882 1.00 0.00 C ATOM 625 CE2 TYR A 43 -3.326 7.353 -0.790 1.00 0.00 C ATOM 626 CZ TYR A 43 -4.402 6.972 -1.529 1.00 0.00 C ATOM 627 OH TYR A 43 -5.571 6.710 -0.885 1.00 0.00 O ATOM 0 H TYR A 43 0.618 7.599 -5.545 1.00 0.00 H new ATOM 0 HA TYR A 43 -1.802 8.854 -5.142 1.00 0.00 H new ATOM 0 HB2 TYR A 43 -0.317 6.875 -4.001 1.00 0.00 H new ATOM 0 HB3 TYR A 43 0.040 8.138 -2.839 1.00 0.00 H new ATOM 0 HD1 TYR A 43 -3.065 7.019 -4.637 1.00 0.00 H new ATOM 0 HD2 TYR A 43 -1.218 7.936 -0.908 1.00 0.00 H new ATOM 0 HE1 TYR A 43 -5.239 6.534 -3.433 1.00 0.00 H new ATOM 0 HE2 TYR A 43 -3.398 7.445 0.284 1.00 0.00 H new ATOM 0 HH TYR A 43 -5.451 6.845 0.078 1.00 0.00 H new ATOM 637 N GLY A 44 0.638 10.455 -3.615 1.00 0.00 N ATOM 638 CA GLY A 44 1.000 11.728 -3.016 1.00 0.00 C ATOM 639 C GLY A 44 0.640 12.893 -3.941 1.00 0.00 C ATOM 640 O GLY A 44 0.050 13.879 -3.502 1.00 0.00 O ATOM 0 H GLY A 44 1.393 9.770 -3.649 1.00 0.00 H new ATOM 0 HA2 GLY A 44 0.485 11.844 -2.062 1.00 0.00 H new ATOM 0 HA3 GLY A 44 2.069 11.744 -2.805 1.00 0.00 H new ATOM 644 N LEU A 45 1.008 12.739 -5.204 1.00 0.00 N ATOM 645 CA LEU A 45 0.731 13.765 -6.195 1.00 0.00 C ATOM 646 C LEU A 45 -0.774 14.039 -6.232 1.00 0.00 C ATOM 647 O LEU A 45 -1.198 15.193 -6.242 1.00 0.00 O ATOM 648 CB LEU A 45 1.318 13.372 -7.552 1.00 0.00 C ATOM 649 CG LEU A 45 2.497 14.214 -8.042 1.00 0.00 C ATOM 650 CD1 LEU A 45 3.828 13.618 -7.579 1.00 0.00 C ATOM 651 CD2 LEU A 45 2.448 14.395 -9.560 1.00 0.00 C ATOM 0 H LEU A 45 1.496 11.919 -5.564 1.00 0.00 H new ATOM 0 HA LEU A 45 1.219 14.700 -5.922 1.00 0.00 H new ATOM 0 HB2 LEU A 45 1.637 12.331 -7.500 1.00 0.00 H new ATOM 0 HB3 LEU A 45 0.525 13.425 -8.298 1.00 0.00 H new ATOM 0 HG LEU A 45 2.416 15.205 -7.596 1.00 0.00 H new ATOM 0 HD11 LEU A 45 4.649 14.236 -7.941 1.00 0.00 H new ATOM 0 HD12 LEU A 45 3.852 13.584 -6.490 1.00 0.00 H new ATOM 0 HD13 LEU A 45 3.932 12.608 -7.976 1.00 0.00 H new ATOM 0 HD21 LEU A 45 3.297 14.997 -9.882 1.00 0.00 H new ATOM 0 HD22 LEU A 45 2.490 13.419 -10.044 1.00 0.00 H new ATOM 0 HD23 LEU A 45 1.521 14.897 -9.837 1.00 0.00 H new ATOM 663 N TYR A 46 -1.539 12.958 -6.250 1.00 0.00 N ATOM 664 CA TYR A 46 -2.988 13.067 -6.286 1.00 0.00 C ATOM 665 C TYR A 46 -3.531 13.593 -4.956 1.00 0.00 C ATOM 666 O TYR A 46 -4.443 14.418 -4.936 1.00 0.00 O ATOM 667 CB TYR A 46 -3.512 11.648 -6.512 1.00 0.00 C ATOM 668 CG TYR A 46 -4.939 11.592 -7.062 1.00 0.00 C ATOM 669 CD1 TYR A 46 -5.155 11.624 -8.425 1.00 0.00 C ATOM 670 CD2 TYR A 46 -6.010 11.509 -6.195 1.00 0.00 C ATOM 671 CE1 TYR A 46 -6.498 11.572 -8.942 1.00 0.00 C ATOM 672 CE2 TYR A 46 -7.353 11.457 -6.713 1.00 0.00 C ATOM 673 CZ TYR A 46 -7.531 11.490 -8.060 1.00 0.00 C ATOM 674 OH TYR A 46 -8.799 11.441 -8.549 1.00 0.00 O ATOM 0 H TYR A 46 -1.183 12.002 -6.240 1.00 0.00 H new ATOM 0 HA TYR A 46 -3.302 13.758 -7.069 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -2.846 11.132 -7.204 1.00 0.00 H new ATOM 0 HB3 TYR A 46 -3.476 11.104 -5.568 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -4.317 11.688 -9.103 1.00 0.00 H new ATOM 0 HD2 TYR A 46 -5.841 11.483 -5.129 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -6.681 11.598 -10.006 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -8.200 11.393 -6.046 1.00 0.00 H new ATOM 0 HH TYR A 46 -9.434 11.383 -7.805 1.00 0.00 H new ATOM 684 N LYS A 47 -2.947 13.093 -3.876 1.00 0.00 N ATOM 685 CA LYS A 47 -3.361 13.502 -2.545 1.00 0.00 C ATOM 686 C LYS A 47 -3.351 15.030 -2.459 1.00 0.00 C ATOM 687 O LYS A 47 -4.218 15.624 -1.820 1.00 0.00 O ATOM 688 CB LYS A 47 -2.496 12.821 -1.482 1.00 0.00 C ATOM 689 CG LYS A 47 -3.025 11.423 -1.158 1.00 0.00 C ATOM 690 CD LYS A 47 -2.429 10.901 0.151 1.00 0.00 C ATOM 691 CE LYS A 47 -3.369 11.170 1.327 1.00 0.00 C ATOM 692 NZ LYS A 47 -2.683 10.901 2.611 1.00 0.00 N ATOM 0 H LYS A 47 -2.191 12.409 -3.896 1.00 0.00 H new ATOM 0 HA LYS A 47 -4.383 13.178 -2.348 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -1.467 12.752 -1.835 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -2.482 13.427 -0.576 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -4.112 11.450 -1.081 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -2.780 10.740 -1.971 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -2.242 9.830 0.068 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -1.467 11.380 0.333 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -3.709 12.205 1.299 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -4.255 10.541 1.243 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -3.335 11.089 3.399 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -2.380 9.906 2.641 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -1.851 11.519 2.696 1.00 0.00 H new ATOM 706 N LEU A 48 -2.362 15.621 -3.112 1.00 0.00 N ATOM 707 CA LEU A 48 -2.229 17.068 -3.118 1.00 0.00 C ATOM 708 C LEU A 48 -3.615 17.703 -3.245 1.00 0.00 C ATOM 709 O LEU A 48 -3.847 18.800 -2.739 1.00 0.00 O ATOM 710 CB LEU A 48 -1.247 17.511 -4.205 1.00 0.00 C ATOM 711 CG LEU A 48 -0.140 18.468 -3.759 1.00 0.00 C ATOM 712 CD1 LEU A 48 1.054 18.407 -4.714 1.00 0.00 C ATOM 713 CD2 LEU A 48 -0.675 19.892 -3.602 1.00 0.00 C ATOM 0 H LEU A 48 -1.645 15.124 -3.641 1.00 0.00 H new ATOM 0 HA LEU A 48 -1.804 17.416 -2.176 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -0.782 16.622 -4.631 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -1.813 17.989 -5.005 1.00 0.00 H new ATOM 0 HG LEU A 48 0.213 18.148 -2.779 1.00 0.00 H new ATOM 0 HD11 LEU A 48 1.827 19.097 -4.375 1.00 0.00 H new ATOM 0 HD12 LEU A 48 1.454 17.393 -4.732 1.00 0.00 H new ATOM 0 HD13 LEU A 48 0.732 18.688 -5.717 1.00 0.00 H new ATOM 0 HD21 LEU A 48 0.133 20.551 -3.284 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -1.072 20.239 -4.556 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -1.467 19.903 -2.854 1.00 0.00 H new ATOM 999 N VAL A 65 6.887 14.501 1.849 1.00 0.00 N ATOM 1000 CA VAL A 65 7.853 13.531 2.336 1.00 0.00 C ATOM 1001 C VAL A 65 7.521 13.172 3.786 1.00 0.00 C ATOM 1002 O VAL A 65 7.576 12.004 4.168 1.00 0.00 O ATOM 1003 CB VAL A 65 9.273 14.074 2.165 1.00 0.00 C ATOM 1004 CG1 VAL A 65 10.295 13.157 2.838 1.00 0.00 C ATOM 1005 CG2 VAL A 65 9.607 14.278 0.686 1.00 0.00 C ATOM 0 HA VAL A 65 7.799 12.612 1.752 1.00 0.00 H new ATOM 0 HB VAL A 65 9.322 15.046 2.656 1.00 0.00 H new ATOM 0 HG11 VAL A 65 11.296 13.566 2.702 1.00 0.00 H new ATOM 0 HG12 VAL A 65 10.074 13.086 3.903 1.00 0.00 H new ATOM 0 HG13 VAL A 65 10.244 12.165 2.390 1.00 0.00 H new ATOM 0 HG21 VAL A 65 10.622 14.665 0.592 1.00 0.00 H new ATOM 0 HG22 VAL A 65 9.531 13.326 0.161 1.00 0.00 H new ATOM 0 HG23 VAL A 65 8.906 14.989 0.249 1.00 0.00 H new ATOM 1015 N ALA A 66 7.183 14.197 4.553 1.00 0.00 N ATOM 1016 CA ALA A 66 6.842 14.004 5.953 1.00 0.00 C ATOM 1017 C ALA A 66 5.811 12.879 6.072 1.00 0.00 C ATOM 1018 O ALA A 66 6.065 11.866 6.721 1.00 0.00 O ATOM 1019 CB ALA A 66 6.336 15.323 6.542 1.00 0.00 C ATOM 0 H ALA A 66 7.138 15.164 4.232 1.00 0.00 H new ATOM 0 HA ALA A 66 7.721 13.707 6.525 1.00 0.00 H new ATOM 0 HB1 ALA A 66 6.080 15.178 7.592 1.00 0.00 H new ATOM 0 HB2 ALA A 66 7.115 16.081 6.459 1.00 0.00 H new ATOM 0 HB3 ALA A 66 5.452 15.650 5.995 1.00 0.00 H new ATOM 1025 N ALA A 67 4.670 13.096 5.434 1.00 0.00 N ATOM 1026 CA ALA A 67 3.600 12.113 5.460 1.00 0.00 C ATOM 1027 C ALA A 67 4.125 10.780 4.923 1.00 0.00 C ATOM 1028 O ALA A 67 3.592 9.721 5.252 1.00 0.00 O ATOM 1029 CB ALA A 67 2.407 12.635 4.657 1.00 0.00 C ATOM 0 H ALA A 67 4.463 13.938 4.896 1.00 0.00 H new ATOM 0 HA ALA A 67 3.258 11.946 6.481 1.00 0.00 H new ATOM 0 HB1 ALA A 67 1.605 11.898 4.677 1.00 0.00 H new ATOM 0 HB2 ALA A 67 2.053 13.568 5.096 1.00 0.00 H new ATOM 0 HB3 ALA A 67 2.712 12.812 3.626 1.00 0.00 H new ATOM 1035 N GLN A 68 5.164 10.875 4.106 1.00 0.00 N ATOM 1036 CA GLN A 68 5.767 9.689 3.521 1.00 0.00 C ATOM 1037 C GLN A 68 6.502 8.883 4.593 1.00 0.00 C ATOM 1038 O GLN A 68 6.497 7.653 4.562 1.00 0.00 O ATOM 1039 CB GLN A 68 6.708 10.063 2.374 1.00 0.00 C ATOM 1040 CG GLN A 68 6.594 9.061 1.223 1.00 0.00 C ATOM 1041 CD GLN A 68 7.711 9.272 0.199 1.00 0.00 C ATOM 1042 OE1 GLN A 68 8.242 10.359 0.036 1.00 0.00 O ATOM 1043 NE2 GLN A 68 8.038 8.176 -0.479 1.00 0.00 N ATOM 0 H GLN A 68 5.604 11.755 3.835 1.00 0.00 H new ATOM 0 HA GLN A 68 4.973 9.067 3.108 1.00 0.00 H new ATOM 0 HB2 GLN A 68 6.469 11.064 2.015 1.00 0.00 H new ATOM 0 HB3 GLN A 68 7.736 10.091 2.736 1.00 0.00 H new ATOM 0 HG2 GLN A 68 6.642 8.045 1.615 1.00 0.00 H new ATOM 0 HG3 GLN A 68 5.625 9.169 0.736 1.00 0.00 H new ATOM 0 HE21 GLN A 68 7.554 7.298 -0.293 1.00 0.00 H new ATOM 0 HE22 GLN A 68 8.773 8.213 -1.185 1.00 0.00 H new ATOM 1052 N GLY A 69 7.116 9.608 5.517 1.00 0.00 N ATOM 1053 CA GLY A 69 7.854 8.975 6.597 1.00 0.00 C ATOM 1054 C GLY A 69 6.901 8.365 7.627 1.00 0.00 C ATOM 1055 O GLY A 69 7.024 7.190 7.972 1.00 0.00 O ATOM 0 H GLY A 69 7.117 10.628 5.540 1.00 0.00 H new ATOM 0 HA2 GLY A 69 8.504 8.199 6.193 1.00 0.00 H new ATOM 0 HA3 GLY A 69 8.498 9.709 7.082 1.00 0.00 H new ATOM 1059 N PHE A 70 5.974 9.189 8.090 1.00 0.00 N ATOM 1060 CA PHE A 70 5.001 8.745 9.074 1.00 0.00 C ATOM 1061 C PHE A 70 4.203 7.548 8.555 1.00 0.00 C ATOM 1062 O PHE A 70 4.059 6.544 9.251 1.00 0.00 O ATOM 1063 CB PHE A 70 4.044 9.914 9.317 1.00 0.00 C ATOM 1064 CG PHE A 70 4.340 10.707 10.591 1.00 0.00 C ATOM 1065 CD1 PHE A 70 3.785 10.326 11.773 1.00 0.00 C ATOM 1066 CD2 PHE A 70 5.158 11.792 10.543 1.00 0.00 C ATOM 1067 CE1 PHE A 70 4.060 11.061 12.956 1.00 0.00 C ATOM 1068 CE2 PHE A 70 5.433 12.528 11.726 1.00 0.00 C ATOM 1069 CZ PHE A 70 4.878 12.147 12.908 1.00 0.00 C ATOM 0 H PHE A 70 5.875 10.163 7.802 1.00 0.00 H new ATOM 0 HA PHE A 70 5.510 8.439 9.988 1.00 0.00 H new ATOM 0 HB2 PHE A 70 4.088 10.589 8.463 1.00 0.00 H new ATOM 0 HB3 PHE A 70 3.025 9.531 9.368 1.00 0.00 H new ATOM 0 HD1 PHE A 70 3.135 9.464 11.811 1.00 0.00 H new ATOM 0 HD2 PHE A 70 5.599 12.094 9.605 1.00 0.00 H new ATOM 0 HE1 PHE A 70 3.620 10.758 13.894 1.00 0.00 H new ATOM 0 HE2 PHE A 70 6.083 13.390 11.687 1.00 0.00 H new ATOM 0 HZ PHE A 70 5.087 12.706 13.808 1.00 0.00 H new ATOM 1079 N VAL A 71 3.706 7.693 7.335 1.00 0.00 N ATOM 1080 CA VAL A 71 2.926 6.635 6.714 1.00 0.00 C ATOM 1081 C VAL A 71 3.803 5.392 6.547 1.00 0.00 C ATOM 1082 O VAL A 71 3.449 4.312 7.018 1.00 0.00 O ATOM 1083 CB VAL A 71 2.333 7.130 5.393 1.00 0.00 C ATOM 1084 CG1 VAL A 71 1.811 5.961 4.555 1.00 0.00 C ATOM 1085 CG2 VAL A 71 1.231 8.162 5.640 1.00 0.00 C ATOM 0 H VAL A 71 3.828 8.527 6.760 1.00 0.00 H new ATOM 0 HA VAL A 71 2.085 6.357 7.349 1.00 0.00 H new ATOM 0 HB VAL A 71 3.129 7.617 4.830 1.00 0.00 H new ATOM 0 HG11 VAL A 71 1.395 6.340 3.622 1.00 0.00 H new ATOM 0 HG12 VAL A 71 2.630 5.276 4.336 1.00 0.00 H new ATOM 0 HG13 VAL A 71 1.036 5.433 5.110 1.00 0.00 H new ATOM 0 HG21 VAL A 71 0.826 8.498 4.685 1.00 0.00 H new ATOM 0 HG22 VAL A 71 0.436 7.710 6.233 1.00 0.00 H new ATOM 0 HG23 VAL A 71 1.645 9.015 6.178 1.00 0.00 H new ATOM 1095 N VAL A 72 4.928 5.587 5.876 1.00 0.00 N ATOM 1096 CA VAL A 72 5.858 4.495 5.642 1.00 0.00 C ATOM 1097 C VAL A 72 5.955 3.634 6.903 1.00 0.00 C ATOM 1098 O VAL A 72 5.803 2.415 6.840 1.00 0.00 O ATOM 1099 CB VAL A 72 7.211 5.047 5.190 1.00 0.00 C ATOM 1100 CG1 VAL A 72 8.347 4.098 5.576 1.00 0.00 C ATOM 1101 CG2 VAL A 72 7.215 5.324 3.685 1.00 0.00 C ATOM 0 H VAL A 72 5.217 6.484 5.487 1.00 0.00 H new ATOM 0 HA VAL A 72 5.499 3.854 4.837 1.00 0.00 H new ATOM 0 HB VAL A 72 7.376 5.993 5.705 1.00 0.00 H new ATOM 0 HG11 VAL A 72 9.298 4.514 5.243 1.00 0.00 H new ATOM 0 HG12 VAL A 72 8.365 3.973 6.659 1.00 0.00 H new ATOM 0 HG13 VAL A 72 8.189 3.129 5.102 1.00 0.00 H new ATOM 0 HG21 VAL A 72 8.188 5.716 3.390 1.00 0.00 H new ATOM 0 HG22 VAL A 72 7.017 4.399 3.144 1.00 0.00 H new ATOM 0 HG23 VAL A 72 6.442 6.055 3.448 1.00 0.00 H new ATOM 1111 N GLY A 73 6.208 4.302 8.019 1.00 0.00 N ATOM 1112 CA GLY A 73 6.327 3.613 9.293 1.00 0.00 C ATOM 1113 C GLY A 73 5.052 2.831 9.615 1.00 0.00 C ATOM 1114 O GLY A 73 5.099 1.621 9.832 1.00 0.00 O ATOM 0 H GLY A 73 6.334 5.313 8.067 1.00 0.00 H new ATOM 0 HA2 GLY A 73 7.178 2.932 9.264 1.00 0.00 H new ATOM 0 HA3 GLY A 73 6.524 4.336 10.084 1.00 0.00 H new ATOM 1118 N ALA A 74 3.942 3.554 9.636 1.00 0.00 N ATOM 1119 CA ALA A 74 2.656 2.943 9.927 1.00 0.00 C ATOM 1120 C ALA A 74 2.510 1.658 9.111 1.00 0.00 C ATOM 1121 O ALA A 74 2.293 0.584 9.670 1.00 0.00 O ATOM 1122 CB ALA A 74 1.537 3.946 9.641 1.00 0.00 C ATOM 0 H ALA A 74 3.906 4.557 9.456 1.00 0.00 H new ATOM 0 HA ALA A 74 2.590 2.673 10.981 1.00 0.00 H new ATOM 0 HB1 ALA A 74 0.573 3.487 9.859 1.00 0.00 H new ATOM 0 HB2 ALA A 74 1.670 4.828 10.268 1.00 0.00 H new ATOM 0 HB3 ALA A 74 1.570 4.239 8.592 1.00 0.00 H new ATOM 1128 N MET A 75 2.634 1.810 7.800 1.00 0.00 N ATOM 1129 CA MET A 75 2.519 0.674 6.901 1.00 0.00 C ATOM 1130 C MET A 75 3.444 -0.465 7.334 1.00 0.00 C ATOM 1131 O MET A 75 2.983 -1.567 7.626 1.00 0.00 O ATOM 1132 CB MET A 75 2.877 1.111 5.479 1.00 0.00 C ATOM 1133 CG MET A 75 1.661 1.704 4.765 1.00 0.00 C ATOM 1134 SD MET A 75 2.178 2.557 3.285 1.00 0.00 S ATOM 1135 CE MET A 75 0.587 2.890 2.547 1.00 0.00 C ATOM 0 H MET A 75 2.813 2.702 7.339 1.00 0.00 H new ATOM 0 HA MET A 75 1.491 0.312 6.932 1.00 0.00 H new ATOM 0 HB2 MET A 75 3.679 1.849 5.512 1.00 0.00 H new ATOM 0 HB3 MET A 75 3.253 0.257 4.916 1.00 0.00 H new ATOM 0 HG2 MET A 75 0.956 0.912 4.511 1.00 0.00 H new ATOM 0 HG3 MET A 75 1.140 2.394 5.429 1.00 0.00 H new ATOM 0 HE1 MET A 75 0.727 3.423 1.606 1.00 0.00 H new ATOM 0 HE2 MET A 75 0.070 1.949 2.358 1.00 0.00 H new ATOM 0 HE3 MET A 75 -0.008 3.501 3.225 1.00 0.00 H new ATOM 1145 N THR A 76 4.733 -0.159 7.362 1.00 0.00 N ATOM 1146 CA THR A 76 5.727 -1.143 7.755 1.00 0.00 C ATOM 1147 C THR A 76 5.208 -1.991 8.917 1.00 0.00 C ATOM 1148 O THR A 76 5.363 -3.211 8.918 1.00 0.00 O ATOM 1149 CB THR A 76 7.026 -0.401 8.076 1.00 0.00 C ATOM 1150 OG1 THR A 76 7.587 -0.112 6.798 1.00 0.00 O ATOM 1151 CG2 THR A 76 8.066 -1.303 8.744 1.00 0.00 C ATOM 0 H THR A 76 5.112 0.756 7.119 1.00 0.00 H new ATOM 0 HA THR A 76 5.929 -1.846 6.947 1.00 0.00 H new ATOM 0 HB THR A 76 6.808 0.446 8.727 1.00 0.00 H new ATOM 0 HG1 THR A 76 7.207 0.724 6.455 1.00 0.00 H new ATOM 0 HG21 THR A 76 8.968 -0.727 8.950 1.00 0.00 H new ATOM 0 HG22 THR A 76 7.663 -1.693 9.679 1.00 0.00 H new ATOM 0 HG23 THR A 76 8.309 -2.132 8.080 1.00 0.00 H new ATOM 1159 N VAL A 77 4.602 -1.311 9.880 1.00 0.00 N ATOM 1160 CA VAL A 77 4.059 -1.987 11.046 1.00 0.00 C ATOM 1161 C VAL A 77 2.922 -2.913 10.610 1.00 0.00 C ATOM 1162 O VAL A 77 2.894 -4.085 10.982 1.00 0.00 O ATOM 1163 CB VAL A 77 3.625 -0.958 12.092 1.00 0.00 C ATOM 1164 CG1 VAL A 77 2.883 -1.631 13.248 1.00 0.00 C ATOM 1165 CG2 VAL A 77 4.824 -0.156 12.603 1.00 0.00 C ATOM 0 H VAL A 77 4.475 -0.299 9.876 1.00 0.00 H new ATOM 0 HA VAL A 77 4.821 -2.608 11.517 1.00 0.00 H new ATOM 0 HB VAL A 77 2.937 -0.262 11.612 1.00 0.00 H new ATOM 0 HG11 VAL A 77 2.586 -0.877 13.977 1.00 0.00 H new ATOM 0 HG12 VAL A 77 1.996 -2.136 12.866 1.00 0.00 H new ATOM 0 HG13 VAL A 77 3.538 -2.360 13.726 1.00 0.00 H new ATOM 0 HG21 VAL A 77 4.488 0.568 13.345 1.00 0.00 H new ATOM 0 HG22 VAL A 77 5.547 -0.833 13.058 1.00 0.00 H new ATOM 0 HG23 VAL A 77 5.292 0.369 11.770 1.00 0.00 H new ATOM 1175 N GLY A 78 2.012 -2.352 9.827 1.00 0.00 N ATOM 1176 CA GLY A 78 0.875 -3.112 9.337 1.00 0.00 C ATOM 1177 C GLY A 78 1.334 -4.386 8.624 1.00 0.00 C ATOM 1178 O GLY A 78 0.841 -5.475 8.911 1.00 0.00 O ATOM 0 H GLY A 78 2.039 -1.380 9.520 1.00 0.00 H new ATOM 0 HA2 GLY A 78 0.221 -3.372 10.169 1.00 0.00 H new ATOM 0 HA3 GLY A 78 0.290 -2.498 8.652 1.00 0.00 H new ATOM 1182 N MET A 79 2.274 -4.206 7.707 1.00 0.00 N ATOM 1183 CA MET A 79 2.805 -5.327 6.950 1.00 0.00 C ATOM 1184 C MET A 79 3.504 -6.329 7.872 1.00 0.00 C ATOM 1185 O MET A 79 3.243 -7.529 7.802 1.00 0.00 O ATOM 1186 CB MET A 79 3.799 -4.813 5.907 1.00 0.00 C ATOM 1187 CG MET A 79 3.527 -5.437 4.536 1.00 0.00 C ATOM 1188 SD MET A 79 2.537 -4.330 3.547 1.00 0.00 S ATOM 1189 CE MET A 79 0.966 -5.175 3.614 1.00 0.00 C ATOM 0 H MET A 79 2.681 -3.301 7.471 1.00 0.00 H new ATOM 0 HA MET A 79 1.976 -5.834 6.456 1.00 0.00 H new ATOM 0 HB2 MET A 79 3.729 -3.728 5.837 1.00 0.00 H new ATOM 0 HB3 MET A 79 4.816 -5.047 6.222 1.00 0.00 H new ATOM 0 HG2 MET A 79 4.469 -5.646 4.029 1.00 0.00 H new ATOM 0 HG3 MET A 79 3.011 -6.390 4.657 1.00 0.00 H new ATOM 0 HE1 MET A 79 0.235 -4.633 3.013 1.00 0.00 H new ATOM 0 HE2 MET A 79 1.080 -6.186 3.222 1.00 0.00 H new ATOM 0 HE3 MET A 79 0.622 -5.223 4.647 1.00 0.00 H new ATOM 1199 N GLY A 80 4.379 -5.799 8.714 1.00 0.00 N ATOM 1200 CA GLY A 80 5.117 -6.631 9.648 1.00 0.00 C ATOM 1201 C GLY A 80 4.176 -7.562 10.415 1.00 0.00 C ATOM 1202 O GLY A 80 4.499 -8.727 10.644 1.00 0.00 O ATOM 0 H GLY A 80 4.593 -4.803 8.769 1.00 0.00 H new ATOM 0 HA2 GLY A 80 5.858 -7.221 9.108 1.00 0.00 H new ATOM 0 HA3 GLY A 80 5.662 -6.000 10.350 1.00 0.00 H new ATOM 1206 N TYR A 81 3.030 -7.014 10.791 1.00 0.00 N ATOM 1207 CA TYR A 81 2.039 -7.781 11.528 1.00 0.00 C ATOM 1208 C TYR A 81 1.135 -8.566 10.576 1.00 0.00 C ATOM 1209 O TYR A 81 0.495 -9.536 10.979 1.00 0.00 O ATOM 1210 CB TYR A 81 1.193 -6.757 12.288 1.00 0.00 C ATOM 1211 CG TYR A 81 1.636 -6.537 13.736 1.00 0.00 C ATOM 1212 CD1 TYR A 81 1.260 -7.432 14.717 1.00 0.00 C ATOM 1213 CD2 TYR A 81 2.412 -5.443 14.061 1.00 0.00 C ATOM 1214 CE1 TYR A 81 1.676 -7.224 16.079 1.00 0.00 C ATOM 1215 CE2 TYR A 81 2.829 -5.235 15.424 1.00 0.00 C ATOM 1216 CZ TYR A 81 2.440 -6.136 16.366 1.00 0.00 C ATOM 1217 OH TYR A 81 2.834 -5.940 17.653 1.00 0.00 O ATOM 0 H TYR A 81 2.765 -6.048 10.599 1.00 0.00 H new ATOM 0 HA TYR A 81 2.523 -8.498 12.191 1.00 0.00 H new ATOM 0 HB2 TYR A 81 1.231 -5.805 11.759 1.00 0.00 H new ATOM 0 HB3 TYR A 81 0.153 -7.084 12.282 1.00 0.00 H new ATOM 0 HD1 TYR A 81 0.653 -8.289 14.463 1.00 0.00 H new ATOM 0 HD2 TYR A 81 2.707 -4.743 13.293 1.00 0.00 H new ATOM 0 HE1 TYR A 81 1.388 -7.917 16.856 1.00 0.00 H new ATOM 0 HE2 TYR A 81 3.437 -4.383 15.692 1.00 0.00 H new ATOM 0 HH TYR A 81 3.375 -5.125 17.709 1.00 0.00 H new