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= -1.9! C(o=-1.9!,f=-2.7!) 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 7.522 -9.004 -1.468 1.00 0.00 N ATOM 423 CA PHE A 29 7.262 -7.608 -1.160 1.00 0.00 C ATOM 424 C PHE A 29 8.155 -6.686 -1.993 1.00 0.00 C ATOM 425 O PHE A 29 7.962 -5.471 -2.003 1.00 0.00 O ATOM 426 CB PHE A 29 7.586 -7.409 0.322 1.00 0.00 C ATOM 427 CG PHE A 29 6.514 -7.948 1.271 1.00 0.00 C ATOM 428 CD1 PHE A 29 5.478 -7.152 1.650 1.00 0.00 C ATOM 429 CD2 PHE A 29 6.597 -9.223 1.736 1.00 0.00 C ATOM 430 CE1 PHE A 29 4.484 -7.652 2.531 1.00 0.00 C ATOM 431 CE2 PHE A 29 5.602 -9.724 2.617 1.00 0.00 C ATOM 432 CZ PHE A 29 4.566 -8.928 2.996 1.00 0.00 C ATOM 0 HA PHE A 29 6.224 -7.365 -1.386 1.00 0.00 H new ATOM 0 HB2 PHE A 29 8.534 -7.899 0.545 1.00 0.00 H new ATOM 0 HB3 PHE A 29 7.724 -6.345 0.513 1.00 0.00 H new ATOM 0 HD1 PHE A 29 5.412 -6.139 1.280 1.00 0.00 H new ATOM 0 HD2 PHE A 29 7.420 -9.855 1.435 1.00 0.00 H new ATOM 0 HE1 PHE A 29 3.662 -7.019 2.832 1.00 0.00 H new ATOM 0 HE2 PHE A 29 5.668 -10.737 2.986 1.00 0.00 H new ATOM 0 HZ PHE A 29 3.809 -9.309 3.666 1.00 0.00 H new ATOM 442 N VAL A 30 9.113 -7.299 -2.673 1.00 0.00 N ATOM 443 CA VAL A 30 10.036 -6.549 -3.508 1.00 0.00 C ATOM 444 C VAL A 30 9.250 -5.551 -4.360 1.00 0.00 C ATOM 445 O VAL A 30 9.566 -4.362 -4.378 1.00 0.00 O ATOM 446 CB VAL A 30 10.885 -7.510 -4.343 1.00 0.00 C ATOM 447 CG1 VAL A 30 11.004 -7.022 -5.788 1.00 0.00 C ATOM 448 CG2 VAL A 30 12.266 -7.708 -3.715 1.00 0.00 C ATOM 0 H VAL A 30 9.270 -8.307 -2.663 1.00 0.00 H new ATOM 0 HA VAL A 30 10.729 -5.976 -2.892 1.00 0.00 H new ATOM 0 HB VAL A 30 10.382 -8.477 -4.357 1.00 0.00 H new ATOM 0 HG11 VAL A 30 11.612 -7.723 -6.360 1.00 0.00 H new ATOM 0 HG12 VAL A 30 10.011 -6.956 -6.233 1.00 0.00 H new ATOM 0 HG13 VAL A 30 11.474 -6.038 -5.802 1.00 0.00 H new ATOM 0 HG21 VAL A 30 12.849 -8.395 -4.328 1.00 0.00 H new ATOM 0 HG22 VAL A 30 12.780 -6.749 -3.656 1.00 0.00 H new ATOM 0 HG23 VAL A 30 12.154 -8.121 -2.713 1.00 0.00 H new ATOM 458 N PRO A 31 8.215 -6.084 -5.063 1.00 0.00 N ATOM 459 CA PRO A 31 7.382 -5.253 -5.915 1.00 0.00 C ATOM 460 C PRO A 31 6.422 -4.402 -5.081 1.00 0.00 C ATOM 461 O PRO A 31 5.929 -3.377 -5.549 1.00 0.00 O ATOM 462 CB PRO A 31 6.665 -6.227 -6.835 1.00 0.00 C ATOM 463 CG PRO A 31 6.766 -7.587 -6.163 1.00 0.00 C ATOM 464 CD PRO A 31 7.812 -7.488 -5.065 1.00 0.00 C ATOM 0 HA PRO A 31 7.960 -4.532 -6.493 1.00 0.00 H new ATOM 0 HB2 PRO A 31 5.624 -5.937 -6.975 1.00 0.00 H new ATOM 0 HB3 PRO A 31 7.127 -6.244 -7.822 1.00 0.00 H new ATOM 0 HG2 PRO A 31 5.802 -7.880 -5.747 1.00 0.00 H new ATOM 0 HG3 PRO A 31 7.045 -8.351 -6.888 1.00 0.00 H new ATOM 0 HD2 PRO A 31 7.402 -7.784 -4.099 1.00 0.00 H new ATOM 0 HD3 PRO A 31 8.660 -8.143 -5.265 1.00 0.00 H new ATOM 472 N VAL A 32 6.186 -4.858 -3.860 1.00 0.00 N ATOM 473 CA VAL A 32 5.294 -4.152 -2.956 1.00 0.00 C ATOM 474 C VAL A 32 5.937 -2.826 -2.545 1.00 0.00 C ATOM 475 O VAL A 32 5.276 -1.789 -2.531 1.00 0.00 O ATOM 476 CB VAL A 32 4.945 -5.043 -1.762 1.00 0.00 C ATOM 477 CG1 VAL A 32 4.189 -4.253 -0.692 1.00 0.00 C ATOM 478 CG2 VAL A 32 4.144 -6.268 -2.208 1.00 0.00 C ATOM 0 H VAL A 32 6.597 -5.708 -3.475 1.00 0.00 H new ATOM 0 HA VAL A 32 4.353 -3.917 -3.454 1.00 0.00 H new ATOM 0 HB VAL A 32 5.878 -5.395 -1.322 1.00 0.00 H new ATOM 0 HG11 VAL A 32 3.953 -4.909 0.146 1.00 0.00 H new ATOM 0 HG12 VAL A 32 4.809 -3.428 -0.343 1.00 0.00 H new ATOM 0 HG13 VAL A 32 3.265 -3.859 -1.116 1.00 0.00 H new ATOM 0 HG21 VAL A 32 3.909 -6.885 -1.340 1.00 0.00 H new ATOM 0 HG22 VAL A 32 3.219 -5.944 -2.684 1.00 0.00 H new ATOM 0 HG23 VAL A 32 4.733 -6.849 -2.917 1.00 0.00 H new ATOM 488 N GLY A 33 7.219 -2.903 -2.220 1.00 0.00 N ATOM 489 CA GLY A 33 7.959 -1.721 -1.810 1.00 0.00 C ATOM 490 C GLY A 33 8.271 -0.825 -3.010 1.00 0.00 C ATOM 491 O GLY A 33 8.022 0.379 -2.971 1.00 0.00 O ATOM 0 H GLY A 33 7.764 -3.765 -2.232 1.00 0.00 H new ATOM 0 HA2 GLY A 33 7.380 -1.162 -1.075 1.00 0.00 H new ATOM 0 HA3 GLY A 33 8.888 -2.020 -1.324 1.00 0.00 H new ATOM 495 N ILE A 34 8.810 -1.447 -4.048 1.00 0.00 N ATOM 496 CA ILE A 34 9.158 -0.720 -5.257 1.00 0.00 C ATOM 497 C ILE A 34 7.905 -0.049 -5.823 1.00 0.00 C ATOM 498 O ILE A 34 7.808 1.177 -5.842 1.00 0.00 O ATOM 499 CB ILE A 34 9.864 -1.643 -6.253 1.00 0.00 C ATOM 500 CG1 ILE A 34 11.212 -2.114 -5.703 1.00 0.00 C ATOM 501 CG2 ILE A 34 10.005 -0.970 -7.619 1.00 0.00 C ATOM 502 CD1 ILE A 34 12.044 -0.930 -5.203 1.00 0.00 C ATOM 0 H ILE A 34 9.014 -2.446 -4.077 1.00 0.00 H new ATOM 0 HA ILE A 34 9.871 0.073 -5.032 1.00 0.00 H new ATOM 0 HB ILE A 34 9.247 -2.530 -6.394 1.00 0.00 H new ATOM 0 HG12 ILE A 34 11.050 -2.819 -4.888 1.00 0.00 H new ATOM 0 HG13 ILE A 34 11.760 -2.646 -6.480 1.00 0.00 H new ATOM 0 HG21 ILE A 34 10.510 -1.647 -8.308 1.00 0.00 H new ATOM 0 HG22 ILE A 34 9.016 -0.727 -8.009 1.00 0.00 H new ATOM 0 HG23 ILE A 34 10.589 -0.056 -7.516 1.00 0.00 H new ATOM 0 HD11 ILE A 34 12.997 -1.292 -4.817 1.00 0.00 H new ATOM 0 HD12 ILE A 34 12.225 -0.239 -6.026 1.00 0.00 H new ATOM 0 HD13 ILE A 34 11.503 -0.415 -4.409 1.00 0.00 H new ATOM 514 N ALA A 35 6.977 -0.883 -6.269 1.00 0.00 N ATOM 515 CA ALA A 35 5.733 -0.386 -6.833 1.00 0.00 C ATOM 516 C ALA A 35 5.036 0.511 -5.808 1.00 0.00 C ATOM 517 O ALA A 35 4.588 1.607 -6.141 1.00 0.00 O ATOM 518 CB ALA A 35 4.860 -1.566 -7.265 1.00 0.00 C ATOM 0 H ALA A 35 7.061 -1.899 -6.251 1.00 0.00 H new ATOM 0 HA ALA A 35 5.928 0.217 -7.720 1.00 0.00 H new ATOM 0 HB1 ALA A 35 3.927 -1.193 -7.688 1.00 0.00 H new ATOM 0 HB2 ALA A 35 5.389 -2.154 -8.015 1.00 0.00 H new ATOM 0 HB3 ALA A 35 4.641 -2.193 -6.400 1.00 0.00 H new ATOM 524 N GLY A 36 4.966 0.012 -4.583 1.00 0.00 N ATOM 525 CA GLY A 36 4.330 0.755 -3.508 1.00 0.00 C ATOM 526 C GLY A 36 4.805 2.209 -3.491 1.00 0.00 C ATOM 527 O GLY A 36 3.997 3.130 -3.602 1.00 0.00 O ATOM 0 H GLY A 36 5.339 -0.897 -4.311 1.00 0.00 H new ATOM 0 HA2 GLY A 36 3.247 0.724 -3.630 1.00 0.00 H new ATOM 0 HA3 GLY A 36 4.556 0.283 -2.552 1.00 0.00 H new ATOM 531 N PHE A 37 6.113 2.370 -3.352 1.00 0.00 N ATOM 532 CA PHE A 37 6.704 3.697 -3.319 1.00 0.00 C ATOM 533 C PHE A 37 6.304 4.506 -4.554 1.00 0.00 C ATOM 534 O PHE A 37 5.855 5.645 -4.436 1.00 0.00 O ATOM 535 CB PHE A 37 8.223 3.509 -3.316 1.00 0.00 C ATOM 536 CG PHE A 37 8.979 4.571 -2.514 1.00 0.00 C ATOM 537 CD1 PHE A 37 9.022 4.495 -1.157 1.00 0.00 C ATOM 538 CD2 PHE A 37 9.608 5.590 -3.159 1.00 0.00 C ATOM 539 CE1 PHE A 37 9.724 5.480 -0.413 1.00 0.00 C ATOM 540 CE2 PHE A 37 10.310 6.574 -2.415 1.00 0.00 C ATOM 541 CZ PHE A 37 10.353 6.499 -1.058 1.00 0.00 C ATOM 0 H PHE A 37 6.780 1.604 -3.261 1.00 0.00 H new ATOM 0 HA PHE A 37 6.359 4.237 -2.437 1.00 0.00 H new ATOM 0 HB2 PHE A 37 8.456 2.526 -2.908 1.00 0.00 H new ATOM 0 HB3 PHE A 37 8.583 3.521 -4.345 1.00 0.00 H new ATOM 0 HD1 PHE A 37 8.522 3.686 -0.645 1.00 0.00 H new ATOM 0 HD2 PHE A 37 9.573 5.650 -4.237 1.00 0.00 H new ATOM 0 HE1 PHE A 37 9.758 5.420 0.665 1.00 0.00 H new ATOM 0 HE2 PHE A 37 10.810 7.383 -2.927 1.00 0.00 H new ATOM 0 HZ PHE A 37 10.887 7.249 -0.492 1.00 0.00 H new ATOM 551 N ALA A 38 6.482 3.885 -5.712 1.00 0.00 N ATOM 552 CA ALA A 38 6.145 4.534 -6.968 1.00 0.00 C ATOM 553 C ALA A 38 4.724 5.094 -6.883 1.00 0.00 C ATOM 554 O ALA A 38 4.519 6.299 -7.022 1.00 0.00 O ATOM 555 CB ALA A 38 6.312 3.538 -8.117 1.00 0.00 C ATOM 0 H ALA A 38 6.855 2.940 -5.806 1.00 0.00 H new ATOM 0 HA ALA A 38 6.817 5.370 -7.161 1.00 0.00 H new ATOM 0 HB1 ALA A 38 6.059 4.024 -9.059 1.00 0.00 H new ATOM 0 HB2 ALA A 38 7.345 3.193 -8.152 1.00 0.00 H new ATOM 0 HB3 ALA A 38 5.650 2.686 -7.959 1.00 0.00 H new ATOM 561 N ALA A 39 3.780 4.193 -6.654 1.00 0.00 N ATOM 562 CA ALA A 39 2.384 4.582 -6.549 1.00 0.00 C ATOM 563 C ALA A 39 2.254 5.733 -5.550 1.00 0.00 C ATOM 564 O ALA A 39 1.793 6.818 -5.903 1.00 0.00 O ATOM 565 CB ALA A 39 1.544 3.367 -6.152 1.00 0.00 C ATOM 0 H ALA A 39 3.954 3.195 -6.538 1.00 0.00 H new ATOM 0 HA ALA A 39 2.011 4.936 -7.510 1.00 0.00 H new ATOM 0 HB1 ALA A 39 0.497 3.659 -6.073 1.00 0.00 H new ATOM 0 HB2 ALA A 39 1.648 2.590 -6.909 1.00 0.00 H new ATOM 0 HB3 ALA A 39 1.888 2.986 -5.191 1.00 0.00 H new ATOM 571 N ILE A 40 2.667 5.457 -4.321 1.00 0.00 N ATOM 572 CA ILE A 40 2.603 6.456 -3.268 1.00 0.00 C ATOM 573 C ILE A 40 2.986 7.822 -3.842 1.00 0.00 C ATOM 574 O ILE A 40 2.205 8.770 -3.774 1.00 0.00 O ATOM 575 CB ILE A 40 3.457 6.030 -2.072 1.00 0.00 C ATOM 576 CG1 ILE A 40 2.804 4.869 -1.319 1.00 0.00 C ATOM 577 CG2 ILE A 40 3.745 7.219 -1.153 1.00 0.00 C ATOM 578 CD1 ILE A 40 1.372 5.217 -0.909 1.00 0.00 C ATOM 0 H ILE A 40 3.047 4.556 -4.031 1.00 0.00 H new ATOM 0 HA ILE A 40 1.585 6.544 -2.888 1.00 0.00 H new ATOM 0 HB ILE A 40 4.416 5.673 -2.447 1.00 0.00 H new ATOM 0 HG12 ILE A 40 2.800 3.979 -1.949 1.00 0.00 H new ATOM 0 HG13 ILE A 40 3.392 4.629 -0.433 1.00 0.00 H new ATOM 0 HG21 ILE A 40 4.353 6.889 -0.311 1.00 0.00 H new ATOM 0 HG22 ILE A 40 4.282 7.987 -1.710 1.00 0.00 H new ATOM 0 HG23 ILE A 40 2.805 7.629 -0.783 1.00 0.00 H new ATOM 0 HD11 ILE A 40 0.931 4.375 -0.376 1.00 0.00 H new ATOM 0 HD12 ILE A 40 1.382 6.092 -0.260 1.00 0.00 H new ATOM 0 HD13 ILE A 40 0.781 5.432 -1.799 1.00 0.00 H new ATOM 590 N VAL A 41 4.189 7.879 -4.395 1.00 0.00 N ATOM 591 CA VAL A 41 4.686 9.113 -4.980 1.00 0.00 C ATOM 592 C VAL A 41 3.600 9.725 -5.867 1.00 0.00 C ATOM 593 O VAL A 41 3.254 10.895 -5.713 1.00 0.00 O ATOM 594 CB VAL A 41 5.992 8.847 -5.732 1.00 0.00 C ATOM 595 CG1 VAL A 41 6.357 10.029 -6.632 1.00 0.00 C ATOM 596 CG2 VAL A 41 7.128 8.526 -4.760 1.00 0.00 C ATOM 0 H VAL A 41 4.834 7.091 -4.450 1.00 0.00 H new ATOM 0 HA VAL A 41 4.917 9.839 -4.201 1.00 0.00 H new ATOM 0 HB VAL A 41 5.841 7.976 -6.369 1.00 0.00 H new ATOM 0 HG11 VAL A 41 7.289 9.814 -7.155 1.00 0.00 H new ATOM 0 HG12 VAL A 41 5.562 10.191 -7.360 1.00 0.00 H new ATOM 0 HG13 VAL A 41 6.481 10.925 -6.024 1.00 0.00 H new ATOM 0 HG21 VAL A 41 8.045 8.341 -5.320 1.00 0.00 H new ATOM 0 HG22 VAL A 41 7.279 9.369 -4.085 1.00 0.00 H new ATOM 0 HG23 VAL A 41 6.872 7.639 -4.181 1.00 0.00 H new ATOM 606 N ALA A 42 3.091 8.906 -6.776 1.00 0.00 N ATOM 607 CA ALA A 42 2.051 9.352 -7.687 1.00 0.00 C ATOM 608 C ALA A 42 0.890 9.938 -6.881 1.00 0.00 C ATOM 609 O ALA A 42 0.547 11.109 -7.042 1.00 0.00 O ATOM 610 CB ALA A 42 1.614 8.185 -8.575 1.00 0.00 C ATOM 0 H ALA A 42 3.380 7.936 -6.901 1.00 0.00 H new ATOM 0 HA ALA A 42 2.427 10.137 -8.343 1.00 0.00 H new ATOM 0 HB1 ALA A 42 0.834 8.520 -9.258 1.00 0.00 H new ATOM 0 HB2 ALA A 42 2.468 7.824 -9.148 1.00 0.00 H new ATOM 0 HB3 ALA A 42 1.229 7.378 -7.952 1.00 0.00 H new ATOM 616 N TYR A 43 0.317 9.098 -6.032 1.00 0.00 N ATOM 617 CA TYR A 43 -0.798 9.518 -5.201 1.00 0.00 C ATOM 618 C TYR A 43 -0.544 10.902 -4.601 1.00 0.00 C ATOM 619 O TYR A 43 -1.324 11.829 -4.817 1.00 0.00 O ATOM 620 CB TYR A 43 -0.890 8.493 -4.069 1.00 0.00 C ATOM 621 CG TYR A 43 -2.306 8.290 -3.527 1.00 0.00 C ATOM 622 CD1 TYR A 43 -2.785 9.106 -2.523 1.00 0.00 C ATOM 623 CD2 TYR A 43 -3.105 7.289 -4.043 1.00 0.00 C ATOM 624 CE1 TYR A 43 -4.118 8.914 -2.013 1.00 0.00 C ATOM 625 CE2 TYR A 43 -4.438 7.097 -3.533 1.00 0.00 C ATOM 626 CZ TYR A 43 -4.879 7.919 -2.543 1.00 0.00 C ATOM 627 OH TYR A 43 -6.138 7.738 -2.062 1.00 0.00 O ATOM 0 H TYR A 43 0.604 8.128 -5.902 1.00 0.00 H new ATOM 0 HA TYR A 43 -1.714 9.575 -5.789 1.00 0.00 H new ATOM 0 HB2 TYR A 43 -0.508 7.537 -4.427 1.00 0.00 H new ATOM 0 HB3 TYR A 43 -0.241 8.810 -3.252 1.00 0.00 H new ATOM 0 HD1 TYR A 43 -2.160 9.889 -2.119 1.00 0.00 H new ATOM 0 HD2 TYR A 43 -2.730 6.650 -4.829 1.00 0.00 H new ATOM 0 HE1 TYR A 43 -4.505 9.546 -1.227 1.00 0.00 H new ATOM 0 HE2 TYR A 43 -5.073 6.318 -3.928 1.00 0.00 H new ATOM 0 HH TYR A 43 -6.565 6.993 -2.534 1.00 0.00 H new ATOM 637 N GLY A 44 0.550 10.999 -3.860 1.00 0.00 N ATOM 638 CA GLY A 44 0.917 12.254 -3.227 1.00 0.00 C ATOM 639 C GLY A 44 0.944 13.395 -4.247 1.00 0.00 C ATOM 640 O GLY A 44 0.322 14.435 -4.036 1.00 0.00 O ATOM 0 H GLY A 44 1.194 10.228 -3.684 1.00 0.00 H new ATOM 0 HA2 GLY A 44 0.206 12.487 -2.434 1.00 0.00 H new ATOM 0 HA3 GLY A 44 1.896 12.157 -2.759 1.00 0.00 H new ATOM 644 N LEU A 45 1.669 13.161 -5.330 1.00 0.00 N ATOM 645 CA LEU A 45 1.785 14.156 -6.383 1.00 0.00 C ATOM 646 C LEU A 45 0.388 14.641 -6.775 1.00 0.00 C ATOM 647 O LEU A 45 0.140 15.845 -6.838 1.00 0.00 O ATOM 648 CB LEU A 45 2.596 13.602 -7.557 1.00 0.00 C ATOM 649 CG LEU A 45 3.609 14.562 -8.183 1.00 0.00 C ATOM 650 CD1 LEU A 45 2.923 15.835 -8.682 1.00 0.00 C ATOM 651 CD2 LEU A 45 4.748 14.869 -7.209 1.00 0.00 C ATOM 0 H LEU A 45 2.183 12.297 -5.502 1.00 0.00 H new ATOM 0 HA LEU A 45 2.337 15.026 -6.027 1.00 0.00 H new ATOM 0 HB2 LEU A 45 3.129 12.713 -7.218 1.00 0.00 H new ATOM 0 HB3 LEU A 45 1.902 13.281 -8.333 1.00 0.00 H new ATOM 0 HG LEU A 45 4.051 14.073 -9.051 1.00 0.00 H new ATOM 0 HD11 LEU A 45 3.666 16.500 -9.122 1.00 0.00 H new ATOM 0 HD12 LEU A 45 2.177 15.576 -9.434 1.00 0.00 H new ATOM 0 HD13 LEU A 45 2.436 16.338 -7.846 1.00 0.00 H new ATOM 0 HD21 LEU A 45 5.454 15.554 -7.679 1.00 0.00 H new ATOM 0 HD22 LEU A 45 4.342 15.329 -6.308 1.00 0.00 H new ATOM 0 HD23 LEU A 45 5.260 13.944 -6.945 1.00 0.00 H new ATOM 663 N TYR A 46 -0.488 13.681 -7.030 1.00 0.00 N ATOM 664 CA TYR A 46 -1.853 13.995 -7.414 1.00 0.00 C ATOM 665 C TYR A 46 -2.610 14.654 -6.259 1.00 0.00 C ATOM 666 O TYR A 46 -3.315 15.642 -6.458 1.00 0.00 O ATOM 667 CB TYR A 46 -2.517 12.657 -7.746 1.00 0.00 C ATOM 668 CG TYR A 46 -3.545 12.736 -8.876 1.00 0.00 C ATOM 669 CD1 TYR A 46 -4.676 13.514 -8.728 1.00 0.00 C ATOM 670 CD2 TYR A 46 -3.343 12.029 -10.044 1.00 0.00 C ATOM 671 CE1 TYR A 46 -5.643 13.589 -9.792 1.00 0.00 C ATOM 672 CE2 TYR A 46 -4.311 12.104 -11.108 1.00 0.00 C ATOM 673 CZ TYR A 46 -5.413 12.879 -10.929 1.00 0.00 C ATOM 674 OH TYR A 46 -6.327 12.949 -11.934 1.00 0.00 O ATOM 0 H TYR A 46 -0.279 12.684 -6.978 1.00 0.00 H new ATOM 0 HA TYR A 46 -1.865 14.687 -8.256 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -1.745 11.938 -8.021 1.00 0.00 H new ATOM 0 HB3 TYR A 46 -3.006 12.273 -6.850 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -4.835 14.066 -7.814 1.00 0.00 H new ATOM 0 HD2 TYR A 46 -2.459 11.419 -10.160 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -6.531 14.195 -9.690 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -4.164 11.557 -12.027 1.00 0.00 H new ATOM 0 HH TYR A 46 -6.031 12.392 -12.684 1.00 0.00 H new ATOM 684 N LYS A 47 -2.439 14.080 -5.077 1.00 0.00 N ATOM 685 CA LYS A 47 -3.097 14.599 -3.890 1.00 0.00 C ATOM 686 C LYS A 47 -2.824 16.100 -3.777 1.00 0.00 C ATOM 687 O LYS A 47 -3.716 16.872 -3.430 1.00 0.00 O ATOM 688 CB LYS A 47 -2.677 13.802 -2.654 1.00 0.00 C ATOM 689 CG LYS A 47 -3.860 13.598 -1.705 1.00 0.00 C ATOM 690 CD LYS A 47 -3.708 14.454 -0.446 1.00 0.00 C ATOM 691 CE LYS A 47 -4.543 15.732 -0.549 1.00 0.00 C ATOM 692 NZ LYS A 47 -3.873 16.846 0.159 1.00 0.00 N ATOM 0 H LYS A 47 -1.854 13.260 -4.916 1.00 0.00 H new ATOM 0 HA LYS A 47 -4.177 14.476 -3.968 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -2.280 12.834 -2.959 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -1.875 14.326 -2.134 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -4.788 13.856 -2.215 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -3.931 12.546 -1.427 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -4.019 13.881 0.428 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -2.659 14.711 -0.301 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -4.689 15.995 -1.597 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -5.531 15.563 -0.122 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -4.452 17.706 0.080 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -3.755 16.599 1.162 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -2.940 17.017 -0.267 1.00 0.00 H new ATOM 706 N LEU A 48 -1.587 16.469 -4.076 1.00 0.00 N ATOM 707 CA LEU A 48 -1.186 17.864 -4.011 1.00 0.00 C ATOM 708 C LEU A 48 -2.267 18.732 -4.657 1.00 0.00 C ATOM 709 O LEU A 48 -2.926 19.517 -3.978 1.00 0.00 O ATOM 710 CB LEU A 48 0.202 18.051 -4.627 1.00 0.00 C ATOM 711 CG LEU A 48 1.123 19.046 -3.917 1.00 0.00 C ATOM 712 CD1 LEU A 48 2.565 18.538 -3.893 1.00 0.00 C ATOM 713 CD2 LEU A 48 1.016 20.437 -4.547 1.00 0.00 C ATOM 0 H LEU A 48 -0.849 15.826 -4.364 1.00 0.00 H new ATOM 0 HA LEU A 48 -1.096 18.186 -2.974 1.00 0.00 H new ATOM 0 HB2 LEU A 48 0.699 17.081 -4.654 1.00 0.00 H new ATOM 0 HB3 LEU A 48 0.078 18.375 -5.661 1.00 0.00 H new ATOM 0 HG LEU A 48 0.796 19.135 -2.881 1.00 0.00 H new ATOM 0 HD11 LEU A 48 3.198 19.264 -3.383 1.00 0.00 H new ATOM 0 HD12 LEU A 48 2.606 17.586 -3.364 1.00 0.00 H new ATOM 0 HD13 LEU A 48 2.920 18.402 -4.915 1.00 0.00 H new ATOM 0 HD21 LEU A 48 1.680 21.125 -4.024 1.00 0.00 H new ATOM 0 HD22 LEU A 48 1.302 20.384 -5.597 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -0.011 20.794 -4.469 1.00 0.00 H new ATOM 999 N VAL A 65 5.831 14.652 2.081 1.00 0.00 N ATOM 1000 CA VAL A 65 6.858 13.664 2.362 1.00 0.00 C ATOM 1001 C VAL A 65 6.722 13.191 3.811 1.00 0.00 C ATOM 1002 O VAL A 65 6.755 11.991 4.081 1.00 0.00 O ATOM 1003 CB VAL A 65 8.240 14.243 2.050 1.00 0.00 C ATOM 1004 CG1 VAL A 65 8.434 14.416 0.542 1.00 0.00 C ATOM 1005 CG2 VAL A 65 8.460 15.565 2.787 1.00 0.00 C ATOM 0 HA VAL A 65 6.733 12.791 1.722 1.00 0.00 H new ATOM 0 HB VAL A 65 8.988 13.534 2.405 1.00 0.00 H new ATOM 0 HG11 VAL A 65 9.424 14.829 0.348 1.00 0.00 H new ATOM 0 HG12 VAL A 65 8.342 13.448 0.050 1.00 0.00 H new ATOM 0 HG13 VAL A 65 7.675 15.095 0.153 1.00 0.00 H new ATOM 0 HG21 VAL A 65 9.449 15.955 2.548 1.00 0.00 H new ATOM 0 HG22 VAL A 65 7.702 16.285 2.478 1.00 0.00 H new ATOM 0 HG23 VAL A 65 8.386 15.399 3.862 1.00 0.00 H new ATOM 1015 N ALA A 66 6.570 14.158 4.704 1.00 0.00 N ATOM 1016 CA ALA A 66 6.428 13.855 6.118 1.00 0.00 C ATOM 1017 C ALA A 66 5.351 12.783 6.300 1.00 0.00 C ATOM 1018 O ALA A 66 5.626 11.704 6.821 1.00 0.00 O ATOM 1019 CB ALA A 66 6.108 15.139 6.885 1.00 0.00 C ATOM 0 H ALA A 66 6.542 15.152 4.476 1.00 0.00 H new ATOM 0 HA ALA A 66 7.360 13.458 6.521 1.00 0.00 H new ATOM 0 HB1 ALA A 66 6.001 14.912 7.946 1.00 0.00 H new ATOM 0 HB2 ALA A 66 6.917 15.857 6.747 1.00 0.00 H new ATOM 0 HB3 ALA A 66 5.177 15.565 6.510 1.00 0.00 H new ATOM 1025 N ALA A 67 4.147 13.119 5.859 1.00 0.00 N ATOM 1026 CA ALA A 67 3.028 12.198 5.967 1.00 0.00 C ATOM 1027 C ALA A 67 3.422 10.849 5.363 1.00 0.00 C ATOM 1028 O ALA A 67 2.908 9.809 5.770 1.00 0.00 O ATOM 1029 CB ALA A 67 1.800 12.806 5.285 1.00 0.00 C ATOM 0 H ALA A 67 3.922 14.015 5.427 1.00 0.00 H new ATOM 0 HA ALA A 67 2.771 12.028 7.012 1.00 0.00 H new ATOM 0 HB1 ALA A 67 0.960 12.116 5.365 1.00 0.00 H new ATOM 0 HB2 ALA A 67 1.543 13.748 5.770 1.00 0.00 H new ATOM 0 HB3 ALA A 67 2.021 12.988 4.233 1.00 0.00 H new ATOM 1035 N GLN A 68 4.332 10.911 4.401 1.00 0.00 N ATOM 1036 CA GLN A 68 4.801 9.707 3.737 1.00 0.00 C ATOM 1037 C GLN A 68 5.656 8.872 4.692 1.00 0.00 C ATOM 1038 O GLN A 68 5.553 7.647 4.715 1.00 0.00 O ATOM 1039 CB GLN A 68 5.577 10.050 2.464 1.00 0.00 C ATOM 1040 CG GLN A 68 5.511 8.901 1.455 1.00 0.00 C ATOM 1041 CD GLN A 68 6.809 8.090 1.462 1.00 0.00 C ATOM 1042 OE1 GLN A 68 7.753 8.388 2.174 1.00 0.00 O ATOM 1043 NE2 GLN A 68 6.802 7.051 0.631 1.00 0.00 N ATOM 0 H GLN A 68 4.756 11.776 4.066 1.00 0.00 H new ATOM 0 HA GLN A 68 3.933 9.115 3.446 1.00 0.00 H new ATOM 0 HB2 GLN A 68 5.167 10.955 2.017 1.00 0.00 H new ATOM 0 HB3 GLN A 68 6.617 10.260 2.713 1.00 0.00 H new ATOM 0 HG2 GLN A 68 4.670 8.250 1.694 1.00 0.00 H new ATOM 0 HG3 GLN A 68 5.332 9.299 0.456 1.00 0.00 H new ATOM 0 HE21 GLN A 68 5.977 6.858 0.063 1.00 0.00 H new ATOM 0 HE22 GLN A 68 7.621 6.447 0.562 1.00 0.00 H new ATOM 1052 N GLY A 69 6.483 9.570 5.458 1.00 0.00 N ATOM 1053 CA GLY A 69 7.356 8.908 6.413 1.00 0.00 C ATOM 1054 C GLY A 69 6.544 8.232 7.520 1.00 0.00 C ATOM 1055 O GLY A 69 6.795 7.077 7.861 1.00 0.00 O ATOM 0 H GLY A 69 6.567 10.586 5.437 1.00 0.00 H new ATOM 0 HA2 GLY A 69 7.966 8.165 5.899 1.00 0.00 H new ATOM 0 HA3 GLY A 69 8.040 9.635 6.851 1.00 0.00 H new ATOM 1059 N PHE A 70 5.589 8.981 8.051 1.00 0.00 N ATOM 1060 CA PHE A 70 4.739 8.468 9.113 1.00 0.00 C ATOM 1061 C PHE A 70 3.943 7.251 8.639 1.00 0.00 C ATOM 1062 O PHE A 70 3.962 6.203 9.283 1.00 0.00 O ATOM 1063 CB PHE A 70 3.764 9.587 9.485 1.00 0.00 C ATOM 1064 CG PHE A 70 3.224 9.492 10.914 1.00 0.00 C ATOM 1065 CD1 PHE A 70 2.407 8.464 11.265 1.00 0.00 C ATOM 1066 CD2 PHE A 70 3.563 10.437 11.832 1.00 0.00 C ATOM 1067 CE1 PHE A 70 1.906 8.376 12.591 1.00 0.00 C ATOM 1068 CE2 PHE A 70 3.062 10.349 13.158 1.00 0.00 C ATOM 1069 CZ PHE A 70 2.244 9.321 13.509 1.00 0.00 C ATOM 0 H PHE A 70 5.385 9.939 7.766 1.00 0.00 H new ATOM 0 HA PHE A 70 5.349 8.161 9.962 1.00 0.00 H new ATOM 0 HB2 PHE A 70 4.264 10.547 9.360 1.00 0.00 H new ATOM 0 HB3 PHE A 70 2.926 9.571 8.789 1.00 0.00 H new ATOM 0 HD1 PHE A 70 2.139 7.714 10.536 1.00 0.00 H new ATOM 0 HD2 PHE A 70 4.213 11.253 11.553 1.00 0.00 H new ATOM 0 HE1 PHE A 70 1.257 7.559 12.870 1.00 0.00 H new ATOM 0 HE2 PHE A 70 3.331 11.099 13.888 1.00 0.00 H new ATOM 0 HZ PHE A 70 1.863 9.255 14.517 1.00 0.00 H new ATOM 1079 N VAL A 71 3.263 7.429 7.516 1.00 0.00 N ATOM 1080 CA VAL A 71 2.463 6.358 6.947 1.00 0.00 C ATOM 1081 C VAL A 71 3.368 5.169 6.619 1.00 0.00 C ATOM 1082 O VAL A 71 3.033 4.026 6.925 1.00 0.00 O ATOM 1083 CB VAL A 71 1.687 6.872 5.733 1.00 0.00 C ATOM 1084 CG1 VAL A 71 0.960 5.729 5.023 1.00 0.00 C ATOM 1085 CG2 VAL A 71 0.709 7.978 6.135 1.00 0.00 C ATOM 0 H VAL A 71 3.250 8.300 6.985 1.00 0.00 H new ATOM 0 HA VAL A 71 1.721 6.012 7.667 1.00 0.00 H new ATOM 0 HB VAL A 71 2.405 7.298 5.033 1.00 0.00 H new ATOM 0 HG11 VAL A 71 0.416 6.122 4.164 1.00 0.00 H new ATOM 0 HG12 VAL A 71 1.686 4.990 4.686 1.00 0.00 H new ATOM 0 HG13 VAL A 71 0.258 5.260 5.713 1.00 0.00 H new ATOM 0 HG21 VAL A 71 0.170 8.326 5.253 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -0.001 7.588 6.864 1.00 0.00 H new ATOM 0 HG23 VAL A 71 1.260 8.809 6.574 1.00 0.00 H new ATOM 1095 N VAL A 72 4.497 5.480 6.000 1.00 0.00 N ATOM 1096 CA VAL A 72 5.453 4.451 5.626 1.00 0.00 C ATOM 1097 C VAL A 72 5.757 3.576 6.844 1.00 0.00 C ATOM 1098 O VAL A 72 5.630 2.354 6.783 1.00 0.00 O ATOM 1099 CB VAL A 72 6.705 5.094 5.025 1.00 0.00 C ATOM 1100 CG1 VAL A 72 7.945 4.239 5.297 1.00 0.00 C ATOM 1101 CG2 VAL A 72 6.528 5.341 3.526 1.00 0.00 C ATOM 0 H VAL A 72 4.772 6.429 5.748 1.00 0.00 H new ATOM 0 HA VAL A 72 5.035 3.803 4.856 1.00 0.00 H new ATOM 0 HB VAL A 72 6.851 6.060 5.509 1.00 0.00 H new ATOM 0 HG11 VAL A 72 8.821 4.718 4.859 1.00 0.00 H new ATOM 0 HG12 VAL A 72 8.087 4.136 6.373 1.00 0.00 H new ATOM 0 HG13 VAL A 72 7.811 3.253 4.853 1.00 0.00 H new ATOM 0 HG21 VAL A 72 7.432 5.799 3.123 1.00 0.00 H new ATOM 0 HG22 VAL A 72 6.345 4.393 3.020 1.00 0.00 H new ATOM 0 HG23 VAL A 72 5.681 6.008 3.365 1.00 0.00 H new ATOM 1111 N GLY A 73 6.151 4.236 7.923 1.00 0.00 N ATOM 1112 CA GLY A 73 6.474 3.534 9.154 1.00 0.00 C ATOM 1113 C GLY A 73 5.320 2.627 9.586 1.00 0.00 C ATOM 1114 O GLY A 73 5.514 1.433 9.808 1.00 0.00 O ATOM 0 H GLY A 73 6.254 5.250 7.971 1.00 0.00 H new ATOM 0 HA2 GLY A 73 7.376 2.938 9.012 1.00 0.00 H new ATOM 0 HA3 GLY A 73 6.689 4.255 9.942 1.00 0.00 H new ATOM 1118 N ALA A 74 4.144 3.228 9.691 1.00 0.00 N ATOM 1119 CA ALA A 74 2.959 2.490 10.093 1.00 0.00 C ATOM 1120 C ALA A 74 2.828 1.235 9.228 1.00 0.00 C ATOM 1121 O ALA A 74 2.834 0.118 9.743 1.00 0.00 O ATOM 1122 CB ALA A 74 1.732 3.398 9.991 1.00 0.00 C ATOM 0 H ALA A 74 3.987 4.218 9.504 1.00 0.00 H new ATOM 0 HA ALA A 74 3.041 2.169 11.131 1.00 0.00 H new ATOM 0 HB1 ALA A 74 0.843 2.844 10.293 1.00 0.00 H new ATOM 0 HB2 ALA A 74 1.862 4.260 10.645 1.00 0.00 H new ATOM 0 HB3 ALA A 74 1.616 3.738 8.962 1.00 0.00 H new ATOM 1128 N MET A 75 2.714 1.460 7.927 1.00 0.00 N ATOM 1129 CA MET A 75 2.582 0.361 6.986 1.00 0.00 C ATOM 1130 C MET A 75 3.583 -0.752 7.299 1.00 0.00 C ATOM 1131 O MET A 75 3.204 -1.915 7.427 1.00 0.00 O ATOM 1132 CB MET A 75 2.818 0.876 5.564 1.00 0.00 C ATOM 1133 CG MET A 75 2.500 -0.206 4.530 1.00 0.00 C ATOM 1134 SD MET A 75 3.404 0.106 3.023 1.00 0.00 S ATOM 1135 CE MET A 75 2.508 -0.952 1.899 1.00 0.00 C ATOM 0 H MET A 75 2.710 2.388 7.503 1.00 0.00 H new ATOM 0 HA MET A 75 1.575 -0.048 7.072 1.00 0.00 H new ATOM 0 HB2 MET A 75 2.195 1.752 5.382 1.00 0.00 H new ATOM 0 HB3 MET A 75 3.855 1.194 5.456 1.00 0.00 H new ATOM 0 HG2 MET A 75 2.763 -1.187 4.925 1.00 0.00 H new ATOM 0 HG3 MET A 75 1.430 -0.222 4.325 1.00 0.00 H new ATOM 0 HE1 MET A 75 2.945 -0.878 0.903 1.00 0.00 H new ATOM 0 HE2 MET A 75 2.567 -1.984 2.245 1.00 0.00 H new ATOM 0 HE3 MET A 75 1.464 -0.641 1.861 1.00 0.00 H new ATOM 1145 N THR A 76 4.843 -0.356 7.413 1.00 0.00 N ATOM 1146 CA THR A 76 5.902 -1.306 7.708 1.00 0.00 C ATOM 1147 C THR A 76 5.516 -2.180 8.904 1.00 0.00 C ATOM 1148 O THR A 76 5.626 -3.403 8.844 1.00 0.00 O ATOM 1149 CB THR A 76 7.196 -0.519 7.923 1.00 0.00 C ATOM 1150 OG1 THR A 76 7.656 -0.241 6.603 1.00 0.00 O ATOM 1151 CG2 THR A 76 8.308 -1.376 8.532 1.00 0.00 C ATOM 0 H THR A 76 5.154 0.610 7.306 1.00 0.00 H new ATOM 0 HA THR A 76 6.058 -1.996 6.878 1.00 0.00 H new ATOM 0 HB THR A 76 6.999 0.334 8.572 1.00 0.00 H new ATOM 0 HG1 THR A 76 8.492 0.269 6.648 1.00 0.00 H new ATOM 0 HG21 THR A 76 9.204 -0.769 8.664 1.00 0.00 H new ATOM 0 HG22 THR A 76 7.984 -1.759 9.500 1.00 0.00 H new ATOM 0 HG23 THR A 76 8.530 -2.211 7.867 1.00 0.00 H new ATOM 1159 N VAL A 77 5.073 -1.517 9.962 1.00 0.00 N ATOM 1160 CA VAL A 77 4.671 -2.217 11.169 1.00 0.00 C ATOM 1161 C VAL A 77 3.610 -3.263 10.818 1.00 0.00 C ATOM 1162 O VAL A 77 3.727 -4.425 11.204 1.00 0.00 O ATOM 1163 CB VAL A 77 4.196 -1.215 12.223 1.00 0.00 C ATOM 1164 CG1 VAL A 77 3.536 -1.930 13.403 1.00 0.00 C ATOM 1165 CG2 VAL A 77 5.349 -0.327 12.694 1.00 0.00 C ATOM 0 H VAL A 77 4.984 -0.502 10.008 1.00 0.00 H new ATOM 0 HA VAL A 77 5.519 -2.747 11.603 1.00 0.00 H new ATOM 0 HB VAL A 77 3.446 -0.573 11.760 1.00 0.00 H new ATOM 0 HG11 VAL A 77 3.208 -1.194 14.137 1.00 0.00 H new ATOM 0 HG12 VAL A 77 2.676 -2.498 13.049 1.00 0.00 H new ATOM 0 HG13 VAL A 77 4.253 -2.608 13.865 1.00 0.00 H new ATOM 0 HG21 VAL A 77 4.984 0.376 13.443 1.00 0.00 H new ATOM 0 HG22 VAL A 77 6.132 -0.948 13.130 1.00 0.00 H new ATOM 0 HG23 VAL A 77 5.754 0.224 11.845 1.00 0.00 H new ATOM 1175 N GLY A 78 2.600 -2.812 10.089 1.00 0.00 N ATOM 1176 CA GLY A 78 1.519 -3.694 9.682 1.00 0.00 C ATOM 1177 C GLY A 78 2.067 -4.975 9.049 1.00 0.00 C ATOM 1178 O GLY A 78 1.672 -6.077 9.427 1.00 0.00 O ATOM 0 H GLY A 78 2.507 -1.848 9.770 1.00 0.00 H new ATOM 0 HA2 GLY A 78 0.904 -3.945 10.546 1.00 0.00 H new ATOM 0 HA3 GLY A 78 0.873 -3.180 8.970 1.00 0.00 H new ATOM 1182 N MET A 79 2.967 -4.788 8.095 1.00 0.00 N ATOM 1183 CA MET A 79 3.573 -5.915 7.406 1.00 0.00 C ATOM 1184 C MET A 79 4.237 -6.872 8.398 1.00 0.00 C ATOM 1185 O MET A 79 3.994 -8.077 8.360 1.00 0.00 O ATOM 1186 CB MET A 79 4.617 -5.404 6.412 1.00 0.00 C ATOM 1187 CG MET A 79 3.991 -5.156 5.037 1.00 0.00 C ATOM 1188 SD MET A 79 4.372 -3.503 4.482 1.00 0.00 S ATOM 1189 CE MET A 79 6.090 -3.712 4.042 1.00 0.00 C ATOM 0 H MET A 79 3.291 -3.873 7.783 1.00 0.00 H new ATOM 0 HA MET A 79 2.789 -6.457 6.877 1.00 0.00 H new ATOM 0 HB2 MET A 79 5.059 -4.481 6.786 1.00 0.00 H new ATOM 0 HB3 MET A 79 5.425 -6.130 6.322 1.00 0.00 H new ATOM 0 HG2 MET A 79 4.368 -5.885 4.320 1.00 0.00 H new ATOM 0 HG3 MET A 79 2.911 -5.291 5.091 1.00 0.00 H new ATOM 0 HE1 MET A 79 6.489 -2.767 3.673 1.00 0.00 H new ATOM 0 HE2 MET A 79 6.655 -4.026 4.920 1.00 0.00 H new ATOM 0 HE3 MET A 79 6.177 -4.471 3.265 1.00 0.00 H new ATOM 1199 N GLY A 80 5.062 -6.299 9.262 1.00 0.00 N ATOM 1200 CA GLY A 80 5.763 -7.086 10.262 1.00 0.00 C ATOM 1201 C GLY A 80 4.787 -7.957 11.056 1.00 0.00 C ATOM 1202 O GLY A 80 5.089 -9.109 11.366 1.00 0.00 O ATOM 0 H GLY A 80 5.261 -5.299 9.290 1.00 0.00 H new ATOM 0 HA2 GLY A 80 6.508 -7.717 9.777 1.00 0.00 H new ATOM 0 HA3 GLY A 80 6.300 -6.423 10.941 1.00 0.00 H new ATOM 1206 N TYR A 81 3.638 -7.373 11.363 1.00 0.00 N ATOM 1207 CA TYR A 81 2.617 -8.082 12.116 1.00 0.00 C ATOM 1208 C TYR A 81 1.940 -9.148 11.252 1.00 0.00 C ATOM 1209 O TYR A 81 1.472 -10.163 11.765 1.00 0.00 O ATOM 1210 CB TYR A 81 1.579 -7.030 12.512 1.00 0.00 C ATOM 1211 CG TYR A 81 0.652 -7.468 13.648 1.00 0.00 C ATOM 1212 CD1 TYR A 81 -0.500 -8.173 13.364 1.00 0.00 C ATOM 1213 CD2 TYR A 81 0.967 -7.158 14.955 1.00 0.00 C ATOM 1214 CE1 TYR A 81 -1.373 -8.585 14.433 1.00 0.00 C ATOM 1215 CE2 TYR A 81 0.094 -7.570 16.023 1.00 0.00 C ATOM 1216 CZ TYR A 81 -1.033 -8.263 15.710 1.00 0.00 C ATOM 1217 OH TYR A 81 -1.857 -8.653 16.719 1.00 0.00 O ATOM 0 H TYR A 81 3.391 -6.418 11.104 1.00 0.00 H new ATOM 0 HA TYR A 81 3.055 -8.583 12.979 1.00 0.00 H new ATOM 0 HB2 TYR A 81 2.096 -6.118 12.810 1.00 0.00 H new ATOM 0 HB3 TYR A 81 0.975 -6.783 11.639 1.00 0.00 H new ATOM 0 HD1 TYR A 81 -0.747 -8.416 12.341 1.00 0.00 H new ATOM 0 HD2 TYR A 81 1.869 -6.606 15.177 1.00 0.00 H new ATOM 0 HE1 TYR A 81 -2.277 -9.137 14.225 1.00 0.00 H new ATOM 0 HE2 TYR A 81 0.329 -7.334 17.050 1.00 0.00 H new ATOM 0 HH TYR A 81 -1.488 -8.355 17.577 1.00 0.00 H new