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= -6.55! C(o=-6.5!,f=-8!) USER MOD Single : A 75 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 76 THR OG1 : rot -28:sc= -0.601! 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 8.101 -8.735 -1.569 1.00 0.00 N ATOM 423 CA PHE A 29 7.797 -7.346 -1.265 1.00 0.00 C ATOM 424 C PHE A 29 8.655 -6.401 -2.108 1.00 0.00 C ATOM 425 O PHE A 29 8.422 -5.193 -2.123 1.00 0.00 O ATOM 426 CB PHE A 29 8.124 -7.130 0.214 1.00 0.00 C ATOM 427 CG PHE A 29 9.620 -7.011 0.510 1.00 0.00 C ATOM 428 CD1 PHE A 29 10.247 -5.811 0.374 1.00 0.00 C ATOM 429 CD2 PHE A 29 10.324 -8.104 0.908 1.00 0.00 C ATOM 430 CE1 PHE A 29 11.635 -5.701 0.649 1.00 0.00 C ATOM 431 CE2 PHE A 29 11.713 -7.994 1.183 1.00 0.00 C ATOM 432 CZ PHE A 29 12.339 -6.794 1.047 1.00 0.00 C ATOM 0 HA PHE A 29 6.750 -7.137 -1.485 1.00 0.00 H new ATOM 0 HB2 PHE A 29 7.623 -6.225 0.558 1.00 0.00 H new ATOM 0 HB3 PHE A 29 7.715 -7.959 0.791 1.00 0.00 H new ATOM 0 HD1 PHE A 29 9.689 -4.943 0.057 1.00 0.00 H new ATOM 0 HD2 PHE A 29 9.827 -9.057 1.015 1.00 0.00 H new ATOM 0 HE1 PHE A 29 12.132 -4.748 0.542 1.00 0.00 H new ATOM 0 HE2 PHE A 29 12.272 -8.862 1.500 1.00 0.00 H new ATOM 0 HZ PHE A 29 13.395 -6.709 1.255 1.00 0.00 H new ATOM 442 N VAL A 30 9.629 -6.986 -2.790 1.00 0.00 N ATOM 443 CA VAL A 30 10.523 -6.210 -3.633 1.00 0.00 C ATOM 444 C VAL A 30 9.698 -5.257 -4.501 1.00 0.00 C ATOM 445 O VAL A 30 9.963 -4.056 -4.534 1.00 0.00 O ATOM 446 CB VAL A 30 11.412 -7.146 -4.453 1.00 0.00 C ATOM 447 CG1 VAL A 30 11.520 -6.671 -5.903 1.00 0.00 C ATOM 448 CG2 VAL A 30 12.797 -7.283 -3.817 1.00 0.00 C ATOM 0 H VAL A 30 9.819 -7.988 -2.776 1.00 0.00 H new ATOM 0 HA VAL A 30 11.190 -5.601 -3.024 1.00 0.00 H new ATOM 0 HB VAL A 30 10.946 -8.131 -4.458 1.00 0.00 H new ATOM 0 HG11 VAL A 30 12.158 -7.355 -6.463 1.00 0.00 H new ATOM 0 HG12 VAL A 30 10.528 -6.649 -6.354 1.00 0.00 H new ATOM 0 HG13 VAL A 30 11.952 -5.670 -5.927 1.00 0.00 H new ATOM 0 HG21 VAL A 30 13.409 -7.954 -4.420 1.00 0.00 H new ATOM 0 HG22 VAL A 30 13.273 -6.304 -3.767 1.00 0.00 H new ATOM 0 HG23 VAL A 30 12.697 -7.689 -2.811 1.00 0.00 H new ATOM 458 N PRO A 31 8.690 -5.843 -5.201 1.00 0.00 N ATOM 459 CA PRO A 31 7.826 -5.059 -6.066 1.00 0.00 C ATOM 460 C PRO A 31 6.827 -4.239 -5.247 1.00 0.00 C ATOM 461 O PRO A 31 6.272 -3.258 -5.739 1.00 0.00 O ATOM 462 CB PRO A 31 7.155 -6.074 -6.976 1.00 0.00 C ATOM 463 CG PRO A 31 7.311 -7.420 -6.286 1.00 0.00 C ATOM 464 CD PRO A 31 8.348 -7.262 -5.186 1.00 0.00 C ATOM 0 HA PRO A 31 8.375 -4.321 -6.650 1.00 0.00 H new ATOM 0 HB2 PRO A 31 6.103 -5.831 -7.124 1.00 0.00 H new ATOM 0 HB3 PRO A 31 7.621 -6.084 -7.961 1.00 0.00 H new ATOM 0 HG2 PRO A 31 6.359 -7.748 -5.869 1.00 0.00 H new ATOM 0 HG3 PRO A 31 7.625 -8.181 -7.000 1.00 0.00 H new ATOM 0 HD2 PRO A 31 7.947 -7.563 -4.218 1.00 0.00 H new ATOM 0 HD3 PRO A 31 9.224 -7.883 -5.375 1.00 0.00 H new ATOM 472 N VAL A 32 6.629 -4.672 -4.010 1.00 0.00 N ATOM 473 CA VAL A 32 5.707 -3.990 -3.118 1.00 0.00 C ATOM 474 C VAL A 32 6.306 -2.645 -2.703 1.00 0.00 C ATOM 475 O VAL A 32 5.595 -1.645 -2.618 1.00 0.00 O ATOM 476 CB VAL A 32 5.372 -4.889 -1.926 1.00 0.00 C ATOM 477 CG1 VAL A 32 4.474 -4.159 -0.924 1.00 0.00 C ATOM 478 CG2 VAL A 32 4.727 -6.197 -2.389 1.00 0.00 C ATOM 0 H VAL A 32 7.091 -5.486 -3.605 1.00 0.00 H new ATOM 0 HA VAL A 32 4.766 -3.783 -3.627 1.00 0.00 H new ATOM 0 HB VAL A 32 6.306 -5.137 -1.421 1.00 0.00 H new ATOM 0 HG11 VAL A 32 4.251 -4.820 -0.087 1.00 0.00 H new ATOM 0 HG12 VAL A 32 4.986 -3.269 -0.558 1.00 0.00 H new ATOM 0 HG13 VAL A 32 3.545 -3.867 -1.413 1.00 0.00 H new ATOM 0 HG21 VAL A 32 4.499 -6.817 -1.522 1.00 0.00 H new ATOM 0 HG22 VAL A 32 3.807 -5.977 -2.930 1.00 0.00 H new ATOM 0 HG23 VAL A 32 5.415 -6.730 -3.045 1.00 0.00 H new ATOM 488 N GLY A 33 7.607 -2.664 -2.456 1.00 0.00 N ATOM 489 CA GLY A 33 8.310 -1.458 -2.052 1.00 0.00 C ATOM 490 C GLY A 33 8.587 -0.556 -3.256 1.00 0.00 C ATOM 491 O GLY A 33 8.356 0.651 -3.198 1.00 0.00 O ATOM 0 H GLY A 33 8.193 -3.496 -2.528 1.00 0.00 H new ATOM 0 HA2 GLY A 33 7.716 -0.916 -1.316 1.00 0.00 H new ATOM 0 HA3 GLY A 33 9.250 -1.725 -1.569 1.00 0.00 H new ATOM 495 N ILE A 34 9.079 -1.175 -4.318 1.00 0.00 N ATOM 496 CA ILE A 34 9.391 -0.443 -5.534 1.00 0.00 C ATOM 497 C ILE A 34 8.105 0.158 -6.106 1.00 0.00 C ATOM 498 O ILE A 34 8.012 1.370 -6.291 1.00 0.00 O ATOM 499 CB ILE A 34 10.143 -1.339 -6.521 1.00 0.00 C ATOM 500 CG1 ILE A 34 11.504 -1.753 -5.958 1.00 0.00 C ATOM 501 CG2 ILE A 34 10.269 -0.663 -7.888 1.00 0.00 C ATOM 502 CD1 ILE A 34 12.265 -2.630 -6.954 1.00 0.00 C ATOM 0 H ILE A 34 9.270 -2.176 -4.362 1.00 0.00 H new ATOM 0 HA ILE A 34 10.063 0.387 -5.317 1.00 0.00 H new ATOM 0 HB ILE A 34 9.564 -2.251 -6.665 1.00 0.00 H new ATOM 0 HG12 ILE A 34 12.092 -0.864 -5.727 1.00 0.00 H new ATOM 0 HG13 ILE A 34 11.365 -2.295 -5.023 1.00 0.00 H new ATOM 0 HG21 ILE A 34 10.807 -1.320 -8.571 1.00 0.00 H new ATOM 0 HG22 ILE A 34 9.275 -0.461 -8.287 1.00 0.00 H new ATOM 0 HG23 ILE A 34 10.815 0.275 -7.781 1.00 0.00 H new ATOM 0 HD11 ILE A 34 13.229 -2.910 -6.529 1.00 0.00 H new ATOM 0 HD12 ILE A 34 11.686 -3.529 -7.164 1.00 0.00 H new ATOM 0 HD13 ILE A 34 12.423 -2.076 -7.879 1.00 0.00 H new ATOM 514 N ALA A 35 7.147 -0.718 -6.370 1.00 0.00 N ATOM 515 CA ALA A 35 5.871 -0.288 -6.916 1.00 0.00 C ATOM 516 C ALA A 35 5.148 0.584 -5.888 1.00 0.00 C ATOM 517 O ALA A 35 4.540 1.593 -6.243 1.00 0.00 O ATOM 518 CB ALA A 35 5.050 -1.514 -7.321 1.00 0.00 C ATOM 0 H ALA A 35 7.229 -1.723 -6.216 1.00 0.00 H new ATOM 0 HA ALA A 35 6.021 0.315 -7.812 1.00 0.00 H new ATOM 0 HB1 ALA A 35 4.093 -1.192 -7.731 1.00 0.00 H new ATOM 0 HB2 ALA A 35 5.594 -2.083 -8.075 1.00 0.00 H new ATOM 0 HB3 ALA A 35 4.878 -2.142 -6.447 1.00 0.00 H new ATOM 524 N GLY A 36 5.237 0.163 -4.635 1.00 0.00 N ATOM 525 CA GLY A 36 4.599 0.893 -3.553 1.00 0.00 C ATOM 526 C GLY A 36 5.091 2.341 -3.504 1.00 0.00 C ATOM 527 O GLY A 36 4.295 3.266 -3.352 1.00 0.00 O ATOM 0 H GLY A 36 5.741 -0.675 -4.345 1.00 0.00 H new ATOM 0 HA2 GLY A 36 3.517 0.877 -3.687 1.00 0.00 H new ATOM 0 HA3 GLY A 36 4.810 0.401 -2.603 1.00 0.00 H new ATOM 531 N PHE A 37 6.401 2.492 -3.635 1.00 0.00 N ATOM 532 CA PHE A 37 7.009 3.812 -3.607 1.00 0.00 C ATOM 533 C PHE A 37 6.565 4.645 -4.811 1.00 0.00 C ATOM 534 O PHE A 37 6.169 5.800 -4.660 1.00 0.00 O ATOM 535 CB PHE A 37 8.523 3.608 -3.673 1.00 0.00 C ATOM 536 CG PHE A 37 9.335 4.852 -3.305 1.00 0.00 C ATOM 537 CD1 PHE A 37 9.473 5.864 -4.203 1.00 0.00 C ATOM 538 CD2 PHE A 37 9.919 4.945 -2.080 1.00 0.00 C ATOM 539 CE1 PHE A 37 10.226 7.018 -3.861 1.00 0.00 C ATOM 540 CE2 PHE A 37 10.672 6.099 -1.739 1.00 0.00 C ATOM 541 CZ PHE A 37 10.810 7.111 -2.636 1.00 0.00 C ATOM 0 H PHE A 37 7.058 1.722 -3.761 1.00 0.00 H new ATOM 0 HA PHE A 37 6.709 4.341 -2.703 1.00 0.00 H new ATOM 0 HB2 PHE A 37 8.799 2.795 -3.002 1.00 0.00 H new ATOM 0 HB3 PHE A 37 8.794 3.295 -4.681 1.00 0.00 H new ATOM 0 HD1 PHE A 37 9.010 5.790 -5.176 1.00 0.00 H new ATOM 0 HD2 PHE A 37 9.810 4.141 -1.367 1.00 0.00 H new ATOM 0 HE1 PHE A 37 10.335 7.822 -4.574 1.00 0.00 H new ATOM 0 HE2 PHE A 37 11.136 6.173 -0.766 1.00 0.00 H new ATOM 0 HZ PHE A 37 11.383 7.989 -2.376 1.00 0.00 H new ATOM 551 N ALA A 38 6.647 4.027 -5.980 1.00 0.00 N ATOM 552 CA ALA A 38 6.258 4.697 -7.210 1.00 0.00 C ATOM 553 C ALA A 38 4.808 5.168 -7.093 1.00 0.00 C ATOM 554 O ALA A 38 4.529 6.363 -7.188 1.00 0.00 O ATOM 555 CB ALA A 38 6.471 3.753 -8.395 1.00 0.00 C ATOM 0 H ALA A 38 6.977 3.070 -6.102 1.00 0.00 H new ATOM 0 HA ALA A 38 6.877 5.578 -7.379 1.00 0.00 H new ATOM 0 HB1 ALA A 38 6.179 4.255 -9.317 1.00 0.00 H new ATOM 0 HB2 ALA A 38 7.523 3.472 -8.452 1.00 0.00 H new ATOM 0 HB3 ALA A 38 5.863 2.858 -8.261 1.00 0.00 H new ATOM 561 N ALA A 39 3.921 4.205 -6.887 1.00 0.00 N ATOM 562 CA ALA A 39 2.506 4.507 -6.756 1.00 0.00 C ATOM 563 C ALA A 39 2.312 5.559 -5.662 1.00 0.00 C ATOM 564 O ALA A 39 1.794 6.644 -5.924 1.00 0.00 O ATOM 565 CB ALA A 39 1.733 3.218 -6.469 1.00 0.00 C ATOM 0 H ALA A 39 4.155 3.215 -6.808 1.00 0.00 H new ATOM 0 HA ALA A 39 2.115 4.922 -7.685 1.00 0.00 H new ATOM 0 HB1 ALA A 39 0.671 3.445 -6.371 1.00 0.00 H new ATOM 0 HB2 ALA A 39 1.880 2.515 -7.289 1.00 0.00 H new ATOM 0 HB3 ALA A 39 2.097 2.774 -5.542 1.00 0.00 H new ATOM 571 N ILE A 40 2.738 5.202 -4.460 1.00 0.00 N ATOM 572 CA ILE A 40 2.618 6.101 -3.325 1.00 0.00 C ATOM 573 C ILE A 40 2.946 7.527 -3.774 1.00 0.00 C ATOM 574 O ILE A 40 2.154 8.445 -3.566 1.00 0.00 O ATOM 575 CB ILE A 40 3.478 5.611 -2.159 1.00 0.00 C ATOM 576 CG1 ILE A 40 2.855 4.380 -1.498 1.00 0.00 C ATOM 577 CG2 ILE A 40 3.731 6.735 -1.153 1.00 0.00 C ATOM 578 CD1 ILE A 40 3.898 3.603 -0.692 1.00 0.00 C ATOM 0 H ILE A 40 3.167 4.302 -4.247 1.00 0.00 H new ATOM 0 HA ILE A 40 1.594 6.110 -2.953 1.00 0.00 H new ATOM 0 HB ILE A 40 4.448 5.309 -2.554 1.00 0.00 H new ATOM 0 HG12 ILE A 40 2.040 4.688 -0.843 1.00 0.00 H new ATOM 0 HG13 ILE A 40 2.424 3.732 -2.261 1.00 0.00 H new ATOM 0 HG21 ILE A 40 4.345 6.359 -0.334 1.00 0.00 H new ATOM 0 HG22 ILE A 40 4.249 7.556 -1.648 1.00 0.00 H new ATOM 0 HG23 ILE A 40 2.779 7.092 -0.759 1.00 0.00 H new ATOM 0 HD11 ILE A 40 3.429 2.733 -0.233 1.00 0.00 H new ATOM 0 HD12 ILE A 40 4.700 3.276 -1.354 1.00 0.00 H new ATOM 0 HD13 ILE A 40 4.310 4.246 0.086 1.00 0.00 H new ATOM 590 N VAL A 41 4.115 7.668 -4.381 1.00 0.00 N ATOM 591 CA VAL A 41 4.557 8.967 -4.860 1.00 0.00 C ATOM 592 C VAL A 41 3.437 9.613 -5.678 1.00 0.00 C ATOM 593 O VAL A 41 2.974 10.704 -5.350 1.00 0.00 O ATOM 594 CB VAL A 41 5.861 8.818 -5.647 1.00 0.00 C ATOM 595 CG1 VAL A 41 6.100 10.032 -6.548 1.00 0.00 C ATOM 596 CG2 VAL A 41 7.046 8.592 -4.706 1.00 0.00 C ATOM 0 H VAL A 41 4.770 6.905 -4.552 1.00 0.00 H new ATOM 0 HA VAL A 41 4.771 9.630 -4.022 1.00 0.00 H new ATOM 0 HB VAL A 41 5.768 7.940 -6.286 1.00 0.00 H new ATOM 0 HG11 VAL A 41 7.033 9.900 -7.096 1.00 0.00 H new ATOM 0 HG12 VAL A 41 5.275 10.129 -7.254 1.00 0.00 H new ATOM 0 HG13 VAL A 41 6.162 10.932 -5.937 1.00 0.00 H new ATOM 0 HG21 VAL A 41 7.960 8.489 -5.290 1.00 0.00 H new ATOM 0 HG22 VAL A 41 7.141 9.442 -4.030 1.00 0.00 H new ATOM 0 HG23 VAL A 41 6.882 7.684 -4.126 1.00 0.00 H new ATOM 606 N ALA A 42 3.032 8.911 -6.726 1.00 0.00 N ATOM 607 CA ALA A 42 1.974 9.402 -7.593 1.00 0.00 C ATOM 608 C ALA A 42 0.787 9.848 -6.738 1.00 0.00 C ATOM 609 O ALA A 42 0.391 11.012 -6.778 1.00 0.00 O ATOM 610 CB ALA A 42 1.592 8.314 -8.599 1.00 0.00 C ATOM 0 H ALA A 42 3.418 8.006 -6.995 1.00 0.00 H new ATOM 0 HA ALA A 42 2.314 10.267 -8.162 1.00 0.00 H new ATOM 0 HB1 ALA A 42 0.798 8.682 -9.249 1.00 0.00 H new ATOM 0 HB2 ALA A 42 2.463 8.053 -9.201 1.00 0.00 H new ATOM 0 HB3 ALA A 42 1.242 7.431 -8.064 1.00 0.00 H new ATOM 616 N TYR A 43 0.251 8.899 -5.984 1.00 0.00 N ATOM 617 CA TYR A 43 -0.884 9.180 -5.121 1.00 0.00 C ATOM 618 C TYR A 43 -0.769 10.574 -4.501 1.00 0.00 C ATOM 619 O TYR A 43 -1.635 11.423 -4.708 1.00 0.00 O ATOM 620 CB TYR A 43 -0.835 8.134 -4.006 1.00 0.00 C ATOM 621 CG TYR A 43 -2.098 7.277 -3.901 1.00 0.00 C ATOM 622 CD1 TYR A 43 -3.316 7.872 -3.641 1.00 0.00 C ATOM 623 CD2 TYR A 43 -2.020 5.909 -4.066 1.00 0.00 C ATOM 624 CE1 TYR A 43 -4.505 7.066 -3.542 1.00 0.00 C ATOM 625 CE2 TYR A 43 -3.209 5.103 -3.967 1.00 0.00 C ATOM 626 CZ TYR A 43 -4.393 5.721 -3.710 1.00 0.00 C ATOM 627 OH TYR A 43 -5.516 4.960 -3.616 1.00 0.00 O ATOM 0 H TYR A 43 0.582 7.935 -5.953 1.00 0.00 H new ATOM 0 HA TYR A 43 -1.815 9.144 -5.687 1.00 0.00 H new ATOM 0 HB2 TYR A 43 0.022 7.481 -4.172 1.00 0.00 H new ATOM 0 HB3 TYR A 43 -0.671 8.640 -3.054 1.00 0.00 H new ATOM 0 HD1 TYR A 43 -3.377 8.942 -3.512 1.00 0.00 H new ATOM 0 HD2 TYR A 43 -1.067 5.443 -4.269 1.00 0.00 H new ATOM 0 HE1 TYR A 43 -5.464 7.519 -3.339 1.00 0.00 H new ATOM 0 HE2 TYR A 43 -3.162 4.032 -4.094 1.00 0.00 H new ATOM 0 HH TYR A 43 -5.286 4.018 -3.759 1.00 0.00 H new ATOM 637 N GLY A 44 0.308 10.768 -3.753 1.00 0.00 N ATOM 638 CA GLY A 44 0.547 12.044 -3.102 1.00 0.00 C ATOM 639 C GLY A 44 0.495 13.193 -4.111 1.00 0.00 C ATOM 640 O GLY A 44 -0.306 14.115 -3.967 1.00 0.00 O ATOM 0 H GLY A 44 1.025 10.062 -3.584 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -0.199 12.205 -2.324 1.00 0.00 H new ATOM 0 HA3 GLY A 44 1.521 12.030 -2.612 1.00 0.00 H new ATOM 644 N LEU A 45 1.361 13.100 -5.110 1.00 0.00 N ATOM 645 CA LEU A 45 1.424 14.120 -6.143 1.00 0.00 C ATOM 646 C LEU A 45 0.004 14.541 -6.525 1.00 0.00 C ATOM 647 O LEU A 45 -0.305 15.731 -6.568 1.00 0.00 O ATOM 648 CB LEU A 45 2.261 13.633 -7.327 1.00 0.00 C ATOM 649 CG LEU A 45 2.681 14.702 -8.337 1.00 0.00 C ATOM 650 CD1 LEU A 45 3.981 15.384 -7.905 1.00 0.00 C ATOM 651 CD2 LEU A 45 2.783 14.116 -9.747 1.00 0.00 C ATOM 0 H LEU A 45 2.025 12.334 -5.226 1.00 0.00 H new ATOM 0 HA LEU A 45 1.931 15.010 -5.769 1.00 0.00 H new ATOM 0 HB2 LEU A 45 3.160 13.156 -6.938 1.00 0.00 H new ATOM 0 HB3 LEU A 45 1.695 12.865 -7.855 1.00 0.00 H new ATOM 0 HG LEU A 45 1.907 15.469 -8.363 1.00 0.00 H new ATOM 0 HD11 LEU A 45 4.257 16.140 -8.640 1.00 0.00 H new ATOM 0 HD12 LEU A 45 3.838 15.858 -6.934 1.00 0.00 H new ATOM 0 HD13 LEU A 45 4.775 14.641 -7.833 1.00 0.00 H new ATOM 0 HD21 LEU A 45 3.083 14.898 -10.445 1.00 0.00 H new ATOM 0 HD22 LEU A 45 3.524 13.317 -9.756 1.00 0.00 H new ATOM 0 HD23 LEU A 45 1.814 13.716 -10.046 1.00 0.00 H new ATOM 663 N TYR A 46 -0.823 13.541 -6.795 1.00 0.00 N ATOM 664 CA TYR A 46 -2.203 13.793 -7.173 1.00 0.00 C ATOM 665 C TYR A 46 -2.996 14.372 -5.999 1.00 0.00 C ATOM 666 O TYR A 46 -3.728 15.347 -6.161 1.00 0.00 O ATOM 667 CB TYR A 46 -2.793 12.431 -7.548 1.00 0.00 C ATOM 668 CG TYR A 46 -4.280 12.474 -7.902 1.00 0.00 C ATOM 669 CD1 TYR A 46 -5.230 12.379 -6.906 1.00 0.00 C ATOM 670 CD2 TYR A 46 -4.672 12.606 -9.219 1.00 0.00 C ATOM 671 CE1 TYR A 46 -6.630 12.419 -7.239 1.00 0.00 C ATOM 672 CE2 TYR A 46 -6.073 12.646 -9.553 1.00 0.00 C ATOM 673 CZ TYR A 46 -6.983 12.550 -8.546 1.00 0.00 C ATOM 674 OH TYR A 46 -8.305 12.588 -8.861 1.00 0.00 O ATOM 0 H TYR A 46 -0.564 12.555 -6.759 1.00 0.00 H new ATOM 0 HA TYR A 46 -2.252 14.510 -7.992 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -2.240 12.028 -8.396 1.00 0.00 H new ATOM 0 HB3 TYR A 46 -2.648 11.742 -6.716 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -4.923 12.275 -5.876 1.00 0.00 H new ATOM 0 HD2 TYR A 46 -3.929 12.679 -9.999 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -7.383 12.347 -6.468 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -6.393 12.750 -10.579 1.00 0.00 H new ATOM 0 HH TYR A 46 -8.408 12.686 -9.831 1.00 0.00 H new ATOM 684 N LYS A 47 -2.823 13.747 -4.844 1.00 0.00 N ATOM 685 CA LYS A 47 -3.513 14.189 -3.644 1.00 0.00 C ATOM 686 C LYS A 47 -3.199 15.665 -3.393 1.00 0.00 C ATOM 687 O LYS A 47 -4.102 16.464 -3.150 1.00 0.00 O ATOM 688 CB LYS A 47 -3.171 13.278 -2.463 1.00 0.00 C ATOM 689 CG LYS A 47 -4.380 13.093 -1.544 1.00 0.00 C ATOM 690 CD LYS A 47 -4.872 11.645 -1.571 1.00 0.00 C ATOM 691 CE LYS A 47 -5.146 11.133 -0.156 1.00 0.00 C ATOM 692 NZ LYS A 47 -6.584 11.262 0.173 1.00 0.00 N ATOM 0 H LYS A 47 -2.215 12.938 -4.713 1.00 0.00 H new ATOM 0 HA LYS A 47 -4.592 14.111 -3.775 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -2.839 12.308 -2.832 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -2.342 13.705 -1.898 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -4.112 13.371 -0.525 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -5.184 13.760 -1.856 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -5.781 11.577 -2.169 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -4.126 11.013 -2.052 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -4.841 10.090 -0.075 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -4.551 11.696 0.563 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -6.753 10.910 1.137 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -6.865 12.262 0.115 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -7.146 10.705 -0.502 1.00 0.00 H new ATOM 706 N LEU A 48 -1.914 15.983 -3.462 1.00 0.00 N ATOM 707 CA LEU A 48 -1.469 17.350 -3.246 1.00 0.00 C ATOM 708 C LEU A 48 -2.432 18.312 -3.945 1.00 0.00 C ATOM 709 O LEU A 48 -3.099 19.112 -3.291 1.00 0.00 O ATOM 710 CB LEU A 48 -0.012 17.514 -3.683 1.00 0.00 C ATOM 711 CG LEU A 48 0.844 18.449 -2.826 1.00 0.00 C ATOM 712 CD1 LEU A 48 2.331 18.127 -2.980 1.00 0.00 C ATOM 713 CD2 LEU A 48 0.538 19.915 -3.143 1.00 0.00 C ATOM 0 H LEU A 48 -1.167 15.318 -3.664 1.00 0.00 H new ATOM 0 HA LEU A 48 -1.489 17.594 -2.184 1.00 0.00 H new ATOM 0 HB2 LEU A 48 0.457 16.530 -3.691 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -0.000 17.882 -4.709 1.00 0.00 H new ATOM 0 HG LEU A 48 0.587 18.285 -1.779 1.00 0.00 H new ATOM 0 HD11 LEU A 48 2.916 18.806 -2.360 1.00 0.00 H new ATOM 0 HD12 LEU A 48 2.515 17.100 -2.666 1.00 0.00 H new ATOM 0 HD13 LEU A 48 2.623 18.245 -4.024 1.00 0.00 H new ATOM 0 HD21 LEU A 48 1.159 20.559 -2.521 1.00 0.00 H new ATOM 0 HD22 LEU A 48 0.750 20.112 -4.194 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -0.513 20.119 -2.940 1.00 0.00 H new ATOM 999 N VAL A 65 6.176 14.504 1.971 1.00 0.00 N ATOM 1000 CA VAL A 65 7.255 13.595 2.319 1.00 0.00 C ATOM 1001 C VAL A 65 7.081 13.135 3.768 1.00 0.00 C ATOM 1002 O VAL A 65 7.073 11.937 4.046 1.00 0.00 O ATOM 1003 CB VAL A 65 8.606 14.264 2.062 1.00 0.00 C ATOM 1004 CG1 VAL A 65 9.744 13.466 2.702 1.00 0.00 C ATOM 1005 CG2 VAL A 65 8.846 14.457 0.563 1.00 0.00 C ATOM 0 HA VAL A 65 7.223 12.706 1.690 1.00 0.00 H new ATOM 0 HB VAL A 65 8.586 15.249 2.527 1.00 0.00 H new ATOM 0 HG11 VAL A 65 10.693 13.964 2.504 1.00 0.00 H new ATOM 0 HG12 VAL A 65 9.584 13.404 3.778 1.00 0.00 H new ATOM 0 HG13 VAL A 65 9.766 12.461 2.280 1.00 0.00 H new ATOM 0 HG21 VAL A 65 9.813 14.935 0.408 1.00 0.00 H new ATOM 0 HG22 VAL A 65 8.836 13.487 0.065 1.00 0.00 H new ATOM 0 HG23 VAL A 65 8.060 15.087 0.147 1.00 0.00 H new ATOM 1015 N ALA A 66 6.947 14.112 4.653 1.00 0.00 N ATOM 1016 CA ALA A 66 6.775 13.823 6.067 1.00 0.00 C ATOM 1017 C ALA A 66 5.675 12.773 6.237 1.00 0.00 C ATOM 1018 O ALA A 66 5.920 11.693 6.772 1.00 0.00 O ATOM 1019 CB ALA A 66 6.466 15.119 6.819 1.00 0.00 C ATOM 0 H ALA A 66 6.954 15.105 4.418 1.00 0.00 H new ATOM 0 HA ALA A 66 7.692 13.412 6.490 1.00 0.00 H new ATOM 0 HB1 ALA A 66 6.337 14.902 7.879 1.00 0.00 H new ATOM 0 HB2 ALA A 66 7.290 15.820 6.690 1.00 0.00 H new ATOM 0 HB3 ALA A 66 5.550 15.559 6.425 1.00 0.00 H new ATOM 1025 N ALA A 67 4.486 13.128 5.773 1.00 0.00 N ATOM 1026 CA ALA A 67 3.347 12.230 5.867 1.00 0.00 C ATOM 1027 C ALA A 67 3.724 10.871 5.272 1.00 0.00 C ATOM 1028 O ALA A 67 3.201 9.840 5.691 1.00 0.00 O ATOM 1029 CB ALA A 67 2.141 12.859 5.167 1.00 0.00 C ATOM 0 H ALA A 67 4.286 14.025 5.331 1.00 0.00 H new ATOM 0 HA ALA A 67 3.071 12.069 6.909 1.00 0.00 H new ATOM 0 HB1 ALA A 67 1.287 12.185 5.238 1.00 0.00 H new ATOM 0 HB2 ALA A 67 1.896 13.807 5.646 1.00 0.00 H new ATOM 0 HB3 ALA A 67 2.380 13.034 4.118 1.00 0.00 H new ATOM 1035 N GLN A 68 4.628 10.915 4.305 1.00 0.00 N ATOM 1036 CA GLN A 68 5.081 9.701 3.648 1.00 0.00 C ATOM 1037 C GLN A 68 5.934 8.866 4.605 1.00 0.00 C ATOM 1038 O GLN A 68 5.836 7.640 4.621 1.00 0.00 O ATOM 1039 CB GLN A 68 5.852 10.025 2.367 1.00 0.00 C ATOM 1040 CG GLN A 68 5.804 8.851 1.386 1.00 0.00 C ATOM 1041 CD GLN A 68 4.536 8.903 0.531 1.00 0.00 C ATOM 1042 OE1 GLN A 68 3.504 8.349 0.871 1.00 0.00 O ATOM 1043 NE2 GLN A 68 4.672 9.597 -0.595 1.00 0.00 N ATOM 0 H GLN A 68 5.059 11.773 3.960 1.00 0.00 H new ATOM 0 HA GLN A 68 4.206 9.115 3.367 1.00 0.00 H new ATOM 0 HB2 GLN A 68 5.428 10.913 1.898 1.00 0.00 H new ATOM 0 HB3 GLN A 68 6.889 10.257 2.611 1.00 0.00 H new ATOM 0 HG2 GLN A 68 6.683 8.875 0.742 1.00 0.00 H new ATOM 0 HG3 GLN A 68 5.838 7.911 1.936 1.00 0.00 H new ATOM 0 HE21 GLN A 68 5.565 10.036 -0.819 1.00 0.00 H new ATOM 0 HE22 GLN A 68 3.883 9.690 -1.235 1.00 0.00 H new ATOM 1052 N GLY A 69 6.751 9.564 5.381 1.00 0.00 N ATOM 1053 CA GLY A 69 7.620 8.902 6.339 1.00 0.00 C ATOM 1054 C GLY A 69 6.805 8.218 7.438 1.00 0.00 C ATOM 1055 O GLY A 69 7.039 7.053 7.755 1.00 0.00 O ATOM 0 H GLY A 69 6.829 10.581 5.366 1.00 0.00 H new ATOM 0 HA2 GLY A 69 8.237 8.164 5.826 1.00 0.00 H new ATOM 0 HA3 GLY A 69 8.298 9.630 6.784 1.00 0.00 H new ATOM 1059 N PHE A 70 5.865 8.971 7.989 1.00 0.00 N ATOM 1060 CA PHE A 70 5.014 8.452 9.046 1.00 0.00 C ATOM 1061 C PHE A 70 4.200 7.253 8.555 1.00 0.00 C ATOM 1062 O PHE A 70 4.290 6.164 9.121 1.00 0.00 O ATOM 1063 CB PHE A 70 4.055 9.577 9.441 1.00 0.00 C ATOM 1064 CG PHE A 70 2.969 9.150 10.431 1.00 0.00 C ATOM 1065 CD1 PHE A 70 1.873 8.477 9.990 1.00 0.00 C ATOM 1066 CD2 PHE A 70 3.101 9.442 11.753 1.00 0.00 C ATOM 1067 CE1 PHE A 70 0.865 8.081 10.909 1.00 0.00 C ATOM 1068 CE2 PHE A 70 2.093 9.046 12.672 1.00 0.00 C ATOM 1069 CZ PHE A 70 0.997 8.374 12.230 1.00 0.00 C ATOM 0 H PHE A 70 5.674 9.937 7.723 1.00 0.00 H new ATOM 0 HA PHE A 70 5.624 8.123 9.887 1.00 0.00 H new ATOM 0 HB2 PHE A 70 4.630 10.394 9.878 1.00 0.00 H new ATOM 0 HB3 PHE A 70 3.579 9.967 8.541 1.00 0.00 H new ATOM 0 HD1 PHE A 70 1.769 8.243 8.941 1.00 0.00 H new ATOM 0 HD2 PHE A 70 3.972 9.975 12.104 1.00 0.00 H new ATOM 0 HE1 PHE A 70 -0.006 7.547 10.558 1.00 0.00 H new ATOM 0 HE2 PHE A 70 2.197 9.279 13.721 1.00 0.00 H new ATOM 0 HZ PHE A 70 0.231 8.073 12.929 1.00 0.00 H new ATOM 1079 N VAL A 71 3.424 7.493 7.508 1.00 0.00 N ATOM 1080 CA VAL A 71 2.595 6.446 6.935 1.00 0.00 C ATOM 1081 C VAL A 71 3.459 5.216 6.650 1.00 0.00 C ATOM 1082 O VAL A 71 3.173 4.125 7.139 1.00 0.00 O ATOM 1083 CB VAL A 71 1.874 6.972 5.692 1.00 0.00 C ATOM 1084 CG1 VAL A 71 1.453 5.821 4.775 1.00 0.00 C ATOM 1085 CG2 VAL A 71 0.670 7.833 6.080 1.00 0.00 C ATOM 0 H VAL A 71 3.352 8.397 7.042 1.00 0.00 H new ATOM 0 HA VAL A 71 1.821 6.143 7.640 1.00 0.00 H new ATOM 0 HB VAL A 71 2.572 7.602 5.140 1.00 0.00 H new ATOM 0 HG11 VAL A 71 0.943 6.222 3.899 1.00 0.00 H new ATOM 0 HG12 VAL A 71 2.336 5.266 4.458 1.00 0.00 H new ATOM 0 HG13 VAL A 71 0.780 5.154 5.314 1.00 0.00 H new ATOM 0 HG21 VAL A 71 0.175 8.194 5.178 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -0.031 7.236 6.664 1.00 0.00 H new ATOM 0 HG23 VAL A 71 1.007 8.682 6.674 1.00 0.00 H new ATOM 1095 N VAL A 72 4.500 5.434 5.859 1.00 0.00 N ATOM 1096 CA VAL A 72 5.407 4.357 5.502 1.00 0.00 C ATOM 1097 C VAL A 72 5.694 3.506 6.742 1.00 0.00 C ATOM 1098 O VAL A 72 5.405 2.311 6.759 1.00 0.00 O ATOM 1099 CB VAL A 72 6.675 4.930 4.864 1.00 0.00 C ATOM 1100 CG1 VAL A 72 7.864 3.988 5.066 1.00 0.00 C ATOM 1101 CG2 VAL A 72 6.455 5.225 3.379 1.00 0.00 C ATOM 0 H VAL A 72 4.735 6.341 5.456 1.00 0.00 H new ATOM 0 HA VAL A 72 4.951 3.704 4.757 1.00 0.00 H new ATOM 0 HB VAL A 72 6.906 5.872 5.362 1.00 0.00 H new ATOM 0 HG11 VAL A 72 8.752 4.419 4.603 1.00 0.00 H new ATOM 0 HG12 VAL A 72 8.041 3.850 6.133 1.00 0.00 H new ATOM 0 HG13 VAL A 72 7.647 3.024 4.606 1.00 0.00 H new ATOM 0 HG21 VAL A 72 7.371 5.631 2.949 1.00 0.00 H new ATOM 0 HG22 VAL A 72 6.188 4.304 2.861 1.00 0.00 H new ATOM 0 HG23 VAL A 72 5.649 5.950 3.268 1.00 0.00 H new ATOM 1111 N GLY A 73 6.259 4.156 7.748 1.00 0.00 N ATOM 1112 CA GLY A 73 6.588 3.475 8.989 1.00 0.00 C ATOM 1113 C GLY A 73 5.430 2.588 9.451 1.00 0.00 C ATOM 1114 O GLY A 73 5.628 1.415 9.762 1.00 0.00 O ATOM 0 H GLY A 73 6.498 5.148 7.729 1.00 0.00 H new ATOM 0 HA2 GLY A 73 7.482 2.868 8.849 1.00 0.00 H new ATOM 0 HA3 GLY A 73 6.819 4.209 9.761 1.00 0.00 H new ATOM 1118 N ALA A 74 4.247 3.184 9.482 1.00 0.00 N ATOM 1119 CA ALA A 74 3.057 2.463 9.902 1.00 0.00 C ATOM 1120 C ALA A 74 2.860 1.244 8.998 1.00 0.00 C ATOM 1121 O ALA A 74 2.601 0.144 9.482 1.00 0.00 O ATOM 1122 CB ALA A 74 1.853 3.407 9.878 1.00 0.00 C ATOM 0 H ALA A 74 4.087 4.158 9.223 1.00 0.00 H new ATOM 0 HA ALA A 74 3.168 2.102 10.924 1.00 0.00 H new ATOM 0 HB1 ALA A 74 0.960 2.866 10.193 1.00 0.00 H new ATOM 0 HB2 ALA A 74 2.031 4.241 10.557 1.00 0.00 H new ATOM 0 HB3 ALA A 74 1.709 3.787 8.867 1.00 0.00 H new ATOM 1128 N MET A 75 2.990 1.482 7.701 1.00 0.00 N ATOM 1129 CA MET A 75 2.829 0.417 6.726 1.00 0.00 C ATOM 1130 C MET A 75 3.669 -0.805 7.104 1.00 0.00 C ATOM 1131 O MET A 75 3.132 -1.892 7.311 1.00 0.00 O ATOM 1132 CB MET A 75 3.254 0.921 5.345 1.00 0.00 C ATOM 1133 CG MET A 75 2.203 0.575 4.288 1.00 0.00 C ATOM 1134 SD MET A 75 2.496 -1.065 3.648 1.00 0.00 S ATOM 1135 CE MET A 75 2.683 -0.692 1.913 1.00 0.00 C ATOM 0 H MET A 75 3.205 2.396 7.303 1.00 0.00 H new ATOM 0 HA MET A 75 1.780 0.122 6.708 1.00 0.00 H new ATOM 0 HB2 MET A 75 3.401 2.001 5.377 1.00 0.00 H new ATOM 0 HB3 MET A 75 4.211 0.477 5.071 1.00 0.00 H new ATOM 0 HG2 MET A 75 1.205 0.631 4.724 1.00 0.00 H new ATOM 0 HG3 MET A 75 2.238 1.302 3.477 1.00 0.00 H new ATOM 0 HE1 MET A 75 2.873 -1.613 1.361 1.00 0.00 H new ATOM 0 HE2 MET A 75 1.770 -0.228 1.540 1.00 0.00 H new ATOM 0 HE3 MET A 75 3.520 -0.007 1.776 1.00 0.00 H new ATOM 1145 N THR A 76 4.973 -0.585 7.183 1.00 0.00 N ATOM 1146 CA THR A 76 5.893 -1.654 7.533 1.00 0.00 C ATOM 1147 C THR A 76 5.434 -2.354 8.814 1.00 0.00 C ATOM 1148 O THR A 76 5.421 -3.582 8.884 1.00 0.00 O ATOM 1149 CB THR A 76 7.297 -1.056 7.637 1.00 0.00 C ATOM 1150 OG1 THR A 76 7.158 -0.009 8.594 1.00 0.00 O ATOM 1151 CG2 THR A 76 7.723 -0.336 6.356 1.00 0.00 C ATOM 0 H THR A 76 5.415 0.318 7.011 1.00 0.00 H new ATOM 0 HA THR A 76 5.911 -2.427 6.765 1.00 0.00 H new ATOM 0 HB THR A 76 8.012 -1.846 7.864 1.00 0.00 H new ATOM 0 HG1 THR A 76 6.239 0.331 8.575 1.00 0.00 H new ATOM 0 HG21 THR A 76 8.727 0.070 6.483 1.00 0.00 H new ATOM 0 HG22 THR A 76 7.719 -1.040 5.524 1.00 0.00 H new ATOM 0 HG23 THR A 76 7.027 0.476 6.147 1.00 0.00 H new ATOM 1159 N VAL A 77 5.068 -1.543 9.795 1.00 0.00 N ATOM 1160 CA VAL A 77 4.610 -2.068 11.070 1.00 0.00 C ATOM 1161 C VAL A 77 3.477 -3.067 10.827 1.00 0.00 C ATOM 1162 O VAL A 77 3.491 -4.172 11.368 1.00 0.00 O ATOM 1163 CB VAL A 77 4.206 -0.919 11.995 1.00 0.00 C ATOM 1164 CG1 VAL A 77 3.286 -1.413 13.114 1.00 0.00 C ATOM 1165 CG2 VAL A 77 5.439 -0.218 12.569 1.00 0.00 C ATOM 0 H VAL A 77 5.079 -0.525 9.733 1.00 0.00 H new ATOM 0 HA VAL A 77 5.414 -2.604 11.573 1.00 0.00 H new ATOM 0 HB VAL A 77 3.652 -0.191 11.402 1.00 0.00 H new ATOM 0 HG11 VAL A 77 3.014 -0.576 13.757 1.00 0.00 H new ATOM 0 HG12 VAL A 77 2.384 -1.845 12.680 1.00 0.00 H new ATOM 0 HG13 VAL A 77 3.804 -2.170 13.703 1.00 0.00 H new ATOM 0 HG21 VAL A 77 5.124 0.595 13.223 1.00 0.00 H new ATOM 0 HG22 VAL A 77 6.032 -0.933 13.139 1.00 0.00 H new ATOM 0 HG23 VAL A 77 6.041 0.185 11.754 1.00 0.00 H new ATOM 1175 N GLY A 78 2.522 -2.643 10.013 1.00 0.00 N ATOM 1176 CA GLY A 78 1.383 -3.486 9.691 1.00 0.00 C ATOM 1177 C GLY A 78 1.839 -4.819 9.095 1.00 0.00 C ATOM 1178 O GLY A 78 1.410 -5.882 9.541 1.00 0.00 O ATOM 0 H GLY A 78 2.513 -1.726 9.566 1.00 0.00 H new ATOM 0 HA2 GLY A 78 0.795 -3.668 10.590 1.00 0.00 H new ATOM 0 HA3 GLY A 78 0.733 -2.971 8.984 1.00 0.00 H new ATOM 1182 N MET A 79 2.703 -4.719 8.095 1.00 0.00 N ATOM 1183 CA MET A 79 3.221 -5.904 7.433 1.00 0.00 C ATOM 1184 C MET A 79 3.744 -6.918 8.453 1.00 0.00 C ATOM 1185 O MET A 79 3.385 -8.093 8.406 1.00 0.00 O ATOM 1186 CB MET A 79 4.353 -5.505 6.484 1.00 0.00 C ATOM 1187 CG MET A 79 4.710 -6.656 5.542 1.00 0.00 C ATOM 1188 SD MET A 79 5.782 -7.816 6.373 1.00 0.00 S ATOM 1189 CE MET A 79 5.053 -9.353 5.833 1.00 0.00 C ATOM 0 H MET A 79 3.057 -3.836 7.728 1.00 0.00 H new ATOM 0 HA MET A 79 2.410 -6.367 6.871 1.00 0.00 H new ATOM 0 HB2 MET A 79 4.054 -4.633 5.902 1.00 0.00 H new ATOM 0 HB3 MET A 79 5.232 -5.217 7.061 1.00 0.00 H new ATOM 0 HG2 MET A 79 3.802 -7.160 5.211 1.00 0.00 H new ATOM 0 HG3 MET A 79 5.202 -6.268 4.650 1.00 0.00 H new ATOM 0 HE1 MET A 79 5.605 -10.189 6.263 1.00 0.00 H new ATOM 0 HE2 MET A 79 4.014 -9.398 6.160 1.00 0.00 H new ATOM 0 HE3 MET A 79 5.094 -9.413 4.745 1.00 0.00 H new ATOM 1199 N GLY A 80 4.584 -6.425 9.351 1.00 0.00 N ATOM 1200 CA GLY A 80 5.160 -7.274 10.381 1.00 0.00 C ATOM 1201 C GLY A 80 4.068 -7.890 11.258 1.00 0.00 C ATOM 1202 O GLY A 80 4.156 -9.057 11.636 1.00 0.00 O ATOM 0 H GLY A 80 4.880 -5.449 9.387 1.00 0.00 H new ATOM 0 HA2 GLY A 80 5.749 -8.066 9.918 1.00 0.00 H new ATOM 0 HA3 GLY A 80 5.842 -6.690 10.999 1.00 0.00 H new ATOM 1206 N TYR A 81 3.065 -7.077 11.556 1.00 0.00 N ATOM 1207 CA TYR A 81 1.957 -7.528 12.382 1.00 0.00 C ATOM 1208 C TYR A 81 1.028 -8.453 11.594 1.00 0.00 C ATOM 1209 O TYR A 81 0.183 -9.132 12.176 1.00 0.00 O ATOM 1210 CB TYR A 81 1.186 -6.267 12.777 1.00 0.00 C ATOM 1211 CG TYR A 81 0.367 -6.415 14.061 1.00 0.00 C ATOM 1212 CD1 TYR A 81 -0.882 -7.002 14.018 1.00 0.00 C ATOM 1213 CD2 TYR A 81 0.876 -5.963 15.261 1.00 0.00 C ATOM 1214 CE1 TYR A 81 -1.653 -7.142 15.226 1.00 0.00 C ATOM 1215 CE2 TYR A 81 0.105 -6.103 16.469 1.00 0.00 C ATOM 1216 CZ TYR A 81 -1.122 -6.686 16.392 1.00 0.00 C ATOM 1217 OH TYR A 81 -1.850 -6.818 17.533 1.00 0.00 O ATOM 0 H TYR A 81 2.996 -6.109 11.241 1.00 0.00 H new ATOM 0 HA TYR A 81 2.323 -8.083 13.246 1.00 0.00 H new ATOM 0 HB2 TYR A 81 1.892 -5.446 12.901 1.00 0.00 H new ATOM 0 HB3 TYR A 81 0.517 -5.992 11.961 1.00 0.00 H new ATOM 0 HD1 TYR A 81 -1.281 -7.356 13.079 1.00 0.00 H new ATOM 0 HD2 TYR A 81 1.853 -5.504 15.294 1.00 0.00 H new ATOM 0 HE1 TYR A 81 -2.631 -7.599 15.207 1.00 0.00 H new ATOM 0 HE2 TYR A 81 0.492 -5.753 17.415 1.00 0.00 H new ATOM 0 HH TYR A 81 -1.345 -6.449 18.288 1.00 0.00 H new