USER MOD reduce.3.24.130724 H: found=0, std=0, add=416, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 419 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 38 GLN : amide:sc= 0 K(o=0,f=-1.2!) USER MOD Single : A 46 MET CE :methyl 173:sc= 0 (180deg=-0.0427) USER MOD Single : A 49 ASN : amide:sc= -2.03! C(o=-2!,f=-4.3!) USER MOD Single : A 52 LYS NZ :NH3+ 146:sc= -0.079 (180deg=-0.751) USER MOD Single : A 79 THR OG1 : rot 180:sc= -0.135 USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 LYS NZ :NH3+ 134:sc= -0.0457 (180deg=-0.515) USER MOD Single : A 95 MET CE :methyl -109:sc= -0.0128 (180deg=-0.127) USER MOD Single : A 96 MET CE :methyl 154:sc= -0.203 (180deg=-1.32!) USER MOD Single : A 103 CYS SG : rot -45:sc= -1.63! USER MOD Single : A 113 TYR OH : rot 180:sc= 0 USER MOD Single : A 115 SER OG : rot 74:sc= 0.255 USER MOD Single : A 116 THR OG1 : rot 17:sc= -0.466 USER MOD ----------------------------------------------------------------- ATOM 505 N GLN A 38 43.635 19.619 28.063 1.00 0.00 N ATOM 506 CA GLN A 38 43.413 20.382 26.837 1.00 0.00 C ATOM 507 C GLN A 38 43.558 19.493 25.606 1.00 0.00 C ATOM 508 O GLN A 38 42.666 19.433 24.762 1.00 0.00 O ATOM 509 CB GLN A 38 44.420 21.533 26.755 1.00 0.00 C ATOM 510 CG GLN A 38 44.124 22.552 27.857 1.00 0.00 C ATOM 511 CD GLN A 38 45.175 23.657 27.839 1.00 0.00 C ATOM 512 OE1 GLN A 38 46.030 23.688 26.954 1.00 0.00 O ATOM 513 NE2 GLN A 38 45.166 24.567 28.774 1.00 0.00 N ATOM 0 HA GLN A 38 42.398 20.779 26.861 1.00 0.00 H new ATOM 0 HB2 GLN A 38 45.435 21.150 26.863 1.00 0.00 H new ATOM 0 HB3 GLN A 38 44.362 22.012 25.778 1.00 0.00 H new ATOM 0 HG2 GLN A 38 43.132 22.980 27.712 1.00 0.00 H new ATOM 0 HG3 GLN A 38 44.119 22.058 28.829 1.00 0.00 H new ATOM 0 HE21 GLN A 38 44.456 24.539 29.506 1.00 0.00 H new ATOM 0 HE22 GLN A 38 45.869 25.306 28.773 1.00 0.00 H new ATOM 522 N VAL A 39 44.689 18.803 25.513 1.00 0.00 N ATOM 523 CA VAL A 39 44.946 17.915 24.384 1.00 0.00 C ATOM 524 C VAL A 39 43.992 16.726 24.410 1.00 0.00 C ATOM 525 O VAL A 39 43.701 16.129 23.375 1.00 0.00 O ATOM 526 CB VAL A 39 46.392 17.423 24.419 1.00 0.00 C ATOM 527 CG1 VAL A 39 46.643 16.671 25.724 1.00 0.00 C ATOM 528 CG2 VAL A 39 46.638 16.484 23.237 1.00 0.00 C ATOM 0 H VAL A 39 45.440 18.840 26.202 1.00 0.00 H new ATOM 0 HA VAL A 39 44.782 18.474 23.463 1.00 0.00 H new ATOM 0 HB VAL A 39 47.068 18.276 24.355 1.00 0.00 H new ATOM 0 HG11 VAL A 39 47.675 16.320 25.749 1.00 0.00 H new ATOM 0 HG12 VAL A 39 46.466 17.338 26.568 1.00 0.00 H new ATOM 0 HG13 VAL A 39 45.968 15.818 25.788 1.00 0.00 H new ATOM 0 HG21 VAL A 39 47.669 16.132 23.260 1.00 0.00 H new ATOM 0 HG22 VAL A 39 45.962 15.631 23.303 1.00 0.00 H new ATOM 0 HG23 VAL A 39 46.458 17.018 22.304 1.00 0.00 H new ATOM 538 N ASP A 40 43.513 16.385 25.599 1.00 0.00 N ATOM 539 CA ASP A 40 42.595 15.260 25.749 1.00 0.00 C ATOM 540 C ASP A 40 41.295 15.522 24.996 1.00 0.00 C ATOM 541 O ASP A 40 40.697 14.608 24.432 1.00 0.00 O ATOM 542 CB ASP A 40 42.288 15.032 27.228 1.00 0.00 C ATOM 543 CG ASP A 40 43.506 14.437 27.928 1.00 0.00 C ATOM 544 OD1 ASP A 40 44.439 14.062 27.236 1.00 0.00 O ATOM 545 OD2 ASP A 40 43.488 14.363 29.147 1.00 0.00 O ATOM 0 H ASP A 40 43.742 16.866 26.469 1.00 0.00 H new ATOM 0 HA ASP A 40 43.070 14.372 25.333 1.00 0.00 H new ATOM 0 HB2 ASP A 40 42.011 15.975 27.700 1.00 0.00 H new ATOM 0 HB3 ASP A 40 41.435 14.361 27.332 1.00 0.00 H new ATOM 550 N GLU A 41 40.861 16.779 24.993 1.00 0.00 N ATOM 551 CA GLU A 41 39.626 17.148 24.310 1.00 0.00 C ATOM 552 C GLU A 41 39.688 16.756 22.838 1.00 0.00 C ATOM 553 O GLU A 41 38.658 16.558 22.199 1.00 0.00 O ATOM 554 CB GLU A 41 39.397 18.657 24.425 1.00 0.00 C ATOM 555 CG GLU A 41 39.091 19.017 25.879 1.00 0.00 C ATOM 556 CD GLU A 41 38.978 20.529 26.030 1.00 0.00 C ATOM 557 OE1 GLU A 41 39.114 21.216 25.032 1.00 0.00 O ATOM 558 OE2 GLU A 41 38.756 20.978 27.143 1.00 0.00 O ATOM 0 H GLU A 41 41.342 17.553 25.452 1.00 0.00 H new ATOM 0 HA GLU A 41 38.801 16.616 24.782 1.00 0.00 H new ATOM 0 HB2 GLU A 41 40.280 19.197 24.084 1.00 0.00 H new ATOM 0 HB3 GLU A 41 38.570 18.960 23.782 1.00 0.00 H new ATOM 0 HG2 GLU A 41 38.161 18.542 26.192 1.00 0.00 H new ATOM 0 HG3 GLU A 41 39.878 18.636 26.530 1.00 0.00 H new ATOM 565 N VAL A 42 40.903 16.643 22.309 1.00 0.00 N ATOM 566 CA VAL A 42 41.086 16.276 20.908 1.00 0.00 C ATOM 567 C VAL A 42 40.494 14.897 20.635 1.00 0.00 C ATOM 568 O VAL A 42 40.171 14.564 19.496 1.00 0.00 O ATOM 569 CB VAL A 42 42.575 16.269 20.558 1.00 0.00 C ATOM 570 CG1 VAL A 42 42.760 15.858 19.096 1.00 0.00 C ATOM 571 CG2 VAL A 42 43.157 17.669 20.776 1.00 0.00 C ATOM 0 H VAL A 42 41.769 16.799 22.824 1.00 0.00 H new ATOM 0 HA VAL A 42 40.571 17.012 20.290 1.00 0.00 H new ATOM 0 HB VAL A 42 43.093 15.556 21.199 1.00 0.00 H new ATOM 0 HG11 VAL A 42 43.822 15.854 18.851 1.00 0.00 H new ATOM 0 HG12 VAL A 42 42.349 14.860 18.944 1.00 0.00 H new ATOM 0 HG13 VAL A 42 42.241 16.566 18.450 1.00 0.00 H new ATOM 0 HG21 VAL A 42 44.218 17.665 20.527 1.00 0.00 H new ATOM 0 HG22 VAL A 42 42.637 18.383 20.137 1.00 0.00 H new ATOM 0 HG23 VAL A 42 43.031 17.957 21.820 1.00 0.00 H new ATOM 581 N VAL A 43 40.354 14.101 21.689 1.00 0.00 N ATOM 582 CA VAL A 43 39.799 12.760 21.551 1.00 0.00 C ATOM 583 C VAL A 43 38.367 12.824 21.026 1.00 0.00 C ATOM 584 O VAL A 43 37.980 12.049 20.152 1.00 0.00 O ATOM 585 CB VAL A 43 39.818 12.043 22.905 1.00 0.00 C ATOM 586 CG1 VAL A 43 39.104 10.694 22.784 1.00 0.00 C ATOM 587 CG2 VAL A 43 41.268 11.813 23.335 1.00 0.00 C ATOM 0 H VAL A 43 40.615 14.358 22.641 1.00 0.00 H new ATOM 0 HA VAL A 43 40.411 12.206 20.839 1.00 0.00 H new ATOM 0 HB VAL A 43 39.307 12.657 23.647 1.00 0.00 H new ATOM 0 HG11 VAL A 43 39.119 10.186 23.749 1.00 0.00 H new ATOM 0 HG12 VAL A 43 38.071 10.855 22.475 1.00 0.00 H new ATOM 0 HG13 VAL A 43 39.613 10.078 22.042 1.00 0.00 H new ATOM 0 HG21 VAL A 43 41.285 11.303 24.298 1.00 0.00 H new ATOM 0 HG22 VAL A 43 41.775 11.200 22.590 1.00 0.00 H new ATOM 0 HG23 VAL A 43 41.778 12.772 23.423 1.00 0.00 H new ATOM 597 N ASP A 44 37.580 13.747 21.572 1.00 0.00 N ATOM 598 CA ASP A 44 36.190 13.893 21.157 1.00 0.00 C ATOM 599 C ASP A 44 36.111 14.167 19.657 1.00 0.00 C ATOM 600 O ASP A 44 35.268 13.607 18.959 1.00 0.00 O ATOM 601 CB ASP A 44 35.537 15.048 21.938 1.00 0.00 C ATOM 602 CG ASP A 44 35.021 14.561 23.290 1.00 0.00 C ATOM 603 OD1 ASP A 44 34.503 13.457 23.346 1.00 0.00 O ATOM 604 OD2 ASP A 44 35.150 15.301 24.252 1.00 0.00 O ATOM 0 H ASP A 44 37.879 14.400 22.297 1.00 0.00 H new ATOM 0 HA ASP A 44 35.657 12.967 21.370 1.00 0.00 H new ATOM 0 HB2 ASP A 44 36.262 15.849 22.087 1.00 0.00 H new ATOM 0 HB3 ASP A 44 34.714 15.466 21.358 1.00 0.00 H new ATOM 609 N ILE A 45 36.995 15.025 19.166 1.00 0.00 N ATOM 610 CA ILE A 45 37.011 15.359 17.745 1.00 0.00 C ATOM 611 C ILE A 45 37.334 14.125 16.909 1.00 0.00 C ATOM 612 O ILE A 45 36.717 13.888 15.871 1.00 0.00 O ATOM 613 CB ILE A 45 38.042 16.460 17.476 1.00 0.00 C ATOM 614 CG1 ILE A 45 37.542 17.787 18.063 1.00 0.00 C ATOM 615 CG2 ILE A 45 38.258 16.620 15.965 1.00 0.00 C ATOM 616 CD1 ILE A 45 37.461 17.702 19.592 1.00 0.00 C ATOM 0 H ILE A 45 37.705 15.500 19.723 1.00 0.00 H new ATOM 0 HA ILE A 45 36.022 15.720 17.462 1.00 0.00 H new ATOM 0 HB ILE A 45 38.986 16.185 17.945 1.00 0.00 H new ATOM 0 HG12 ILE A 45 38.213 18.595 17.773 1.00 0.00 H new ATOM 0 HG13 ILE A 45 36.560 18.025 17.654 1.00 0.00 H new ATOM 0 HG21 ILE A 45 38.992 17.405 15.784 1.00 0.00 H new ATOM 0 HG22 ILE A 45 38.620 15.680 15.548 1.00 0.00 H new ATOM 0 HG23 ILE A 45 37.315 16.889 15.489 1.00 0.00 H new ATOM 0 HD11 ILE A 45 37.105 18.652 19.991 1.00 0.00 H new ATOM 0 HD12 ILE A 45 36.771 16.907 19.876 1.00 0.00 H new ATOM 0 HD13 ILE A 45 38.450 17.486 19.997 1.00 0.00 H new ATOM 628 N MET A 46 38.312 13.355 17.360 1.00 0.00 N ATOM 629 CA MET A 46 38.719 12.161 16.635 1.00 0.00 C ATOM 630 C MET A 46 37.561 11.174 16.543 1.00 0.00 C ATOM 631 O MET A 46 37.362 10.532 15.513 1.00 0.00 O ATOM 632 CB MET A 46 39.906 11.504 17.345 1.00 0.00 C ATOM 633 CG MET A 46 41.177 12.315 17.081 1.00 0.00 C ATOM 634 SD MET A 46 42.566 11.575 17.979 1.00 0.00 S ATOM 635 CE MET A 46 42.974 10.296 16.764 1.00 0.00 C ATOM 0 H MET A 46 38.835 13.533 18.217 1.00 0.00 H new ATOM 0 HA MET A 46 39.015 12.447 15.626 1.00 0.00 H new ATOM 0 HB2 MET A 46 39.715 11.447 18.417 1.00 0.00 H new ATOM 0 HB3 MET A 46 40.035 10.482 16.989 1.00 0.00 H new ATOM 0 HG2 MET A 46 41.392 12.337 16.013 1.00 0.00 H new ATOM 0 HG3 MET A 46 41.034 13.348 17.398 1.00 0.00 H new ATOM 0 HE1 MET A 46 43.893 9.792 17.062 1.00 0.00 H new ATOM 0 HE2 MET A 46 42.162 9.570 16.713 1.00 0.00 H new ATOM 0 HE3 MET A 46 43.113 10.755 15.785 1.00 0.00 H new ATOM 645 N ARG A 47 36.802 11.055 17.625 1.00 0.00 N ATOM 646 CA ARG A 47 35.667 10.140 17.651 1.00 0.00 C ATOM 647 C ARG A 47 34.613 10.563 16.632 1.00 0.00 C ATOM 648 O ARG A 47 34.012 9.726 15.960 1.00 0.00 O ATOM 649 CB ARG A 47 35.050 10.122 19.051 1.00 0.00 C ATOM 650 CG ARG A 47 36.001 9.410 20.016 1.00 0.00 C ATOM 651 CD ARG A 47 35.419 9.451 21.429 1.00 0.00 C ATOM 652 NE ARG A 47 36.307 8.766 22.360 1.00 0.00 N ATOM 653 CZ ARG A 47 36.061 8.761 23.667 1.00 0.00 C ATOM 654 NH1 ARG A 47 35.009 9.375 24.134 1.00 0.00 N ATOM 655 NH2 ARG A 47 36.870 8.139 24.480 1.00 0.00 N ATOM 0 H ARG A 47 36.949 11.576 18.490 1.00 0.00 H new ATOM 0 HA ARG A 47 36.020 9.141 17.394 1.00 0.00 H new ATOM 0 HB2 ARG A 47 34.864 11.141 19.392 1.00 0.00 H new ATOM 0 HB3 ARG A 47 34.087 9.612 19.030 1.00 0.00 H new ATOM 0 HG2 ARG A 47 36.148 8.377 19.702 1.00 0.00 H new ATOM 0 HG3 ARG A 47 36.979 9.891 20.000 1.00 0.00 H new ATOM 0 HD2 ARG A 47 35.280 10.486 21.743 1.00 0.00 H new ATOM 0 HD3 ARG A 47 34.436 8.980 21.439 1.00 0.00 H new ATOM 0 HE ARG A 47 37.131 8.282 22.003 1.00 0.00 H new ATOM 0 HH11 ARG A 47 34.376 9.858 23.497 1.00 0.00 H new ATOM 0 HH12 ARG A 47 34.820 9.372 25.136 1.00 0.00 H new ATOM 0 HH21 ARG A 47 37.691 7.657 24.113 1.00 0.00 H new ATOM 0 HH22 ARG A 47 36.682 8.135 25.482 1.00 0.00 H new ATOM 669 N VAL A 48 34.400 11.871 16.521 1.00 0.00 N ATOM 670 CA VAL A 48 33.423 12.404 15.580 1.00 0.00 C ATOM 671 C VAL A 48 33.836 12.090 14.146 1.00 0.00 C ATOM 672 O VAL A 48 33.000 11.754 13.307 1.00 0.00 O ATOM 673 CB VAL A 48 33.282 13.917 15.759 1.00 0.00 C ATOM 674 CG1 VAL A 48 32.349 14.479 14.681 1.00 0.00 C ATOM 675 CG2 VAL A 48 32.691 14.213 17.142 1.00 0.00 C ATOM 0 H VAL A 48 34.889 12.578 17.069 1.00 0.00 H new ATOM 0 HA VAL A 48 32.462 11.932 15.781 1.00 0.00 H new ATOM 0 HB VAL A 48 34.263 14.384 15.670 1.00 0.00 H new ATOM 0 HG11 VAL A 48 32.250 15.557 14.811 1.00 0.00 H new ATOM 0 HG12 VAL A 48 32.764 14.269 13.695 1.00 0.00 H new ATOM 0 HG13 VAL A 48 31.368 14.012 14.769 1.00 0.00 H new ATOM 0 HG21 VAL A 48 32.590 15.291 17.271 1.00 0.00 H new ATOM 0 HG22 VAL A 48 31.711 13.744 17.227 1.00 0.00 H new ATOM 0 HG23 VAL A 48 33.352 13.816 17.913 1.00 0.00 H new ATOM 685 N ASN A 49 35.131 12.211 13.870 1.00 0.00 N ATOM 686 CA ASN A 49 35.642 11.948 12.531 1.00 0.00 C ATOM 687 C ASN A 49 35.268 10.538 12.086 1.00 0.00 C ATOM 688 O ASN A 49 34.906 10.319 10.932 1.00 0.00 O ATOM 689 CB ASN A 49 37.167 12.099 12.519 1.00 0.00 C ATOM 690 CG ASN A 49 37.714 11.746 11.140 1.00 0.00 C ATOM 691 OD1 ASN A 49 36.955 11.369 10.247 1.00 0.00 O ATOM 692 ND2 ASN A 49 38.995 11.839 10.914 1.00 0.00 N ATOM 0 H ASN A 49 35.840 12.487 14.550 1.00 0.00 H new ATOM 0 HA ASN A 49 35.198 12.666 11.842 1.00 0.00 H new ATOM 0 HB2 ASN A 49 37.442 13.122 12.778 1.00 0.00 H new ATOM 0 HB3 ASN A 49 37.611 11.449 13.273 1.00 0.00 H new ATOM 0 HD21 ASN A 49 39.370 11.599 9.996 1.00 0.00 H new ATOM 0 HD22 ASN A 49 39.622 12.152 11.655 1.00 0.00 H new ATOM 699 N VAL A 50 35.349 9.590 13.009 1.00 0.00 N ATOM 700 CA VAL A 50 35.009 8.205 12.702 1.00 0.00 C ATOM 701 C VAL A 50 33.532 8.081 12.352 1.00 0.00 C ATOM 702 O VAL A 50 33.150 7.322 11.460 1.00 0.00 O ATOM 703 CB VAL A 50 35.345 7.301 13.891 1.00 0.00 C ATOM 704 CG1 VAL A 50 34.866 5.874 13.603 1.00 0.00 C ATOM 705 CG2 VAL A 50 36.860 7.295 14.110 1.00 0.00 C ATOM 0 H VAL A 50 35.645 9.751 13.972 1.00 0.00 H new ATOM 0 HA VAL A 50 35.597 7.889 11.841 1.00 0.00 H new ATOM 0 HB VAL A 50 34.847 7.676 14.785 1.00 0.00 H new ATOM 0 HG11 VAL A 50 35.106 5.232 14.450 1.00 0.00 H new ATOM 0 HG12 VAL A 50 33.788 5.877 13.444 1.00 0.00 H new ATOM 0 HG13 VAL A 50 35.363 5.497 12.709 1.00 0.00 H new ATOM 0 HG21 VAL A 50 37.103 6.652 14.956 1.00 0.00 H new ATOM 0 HG22 VAL A 50 37.356 6.919 13.215 1.00 0.00 H new ATOM 0 HG23 VAL A 50 37.202 8.309 14.315 1.00 0.00 H new ATOM 715 N ASP A 51 32.710 8.820 13.071 1.00 0.00 N ATOM 716 CA ASP A 51 31.266 8.791 12.850 1.00 0.00 C ATOM 717 C ASP A 51 30.922 9.260 11.439 1.00 0.00 C ATOM 718 O ASP A 51 29.777 9.149 11.001 1.00 0.00 O ATOM 719 CB ASP A 51 30.555 9.684 13.872 1.00 0.00 C ATOM 720 CG ASP A 51 29.043 9.507 13.753 1.00 0.00 C ATOM 721 OD1 ASP A 51 28.587 8.382 13.862 1.00 0.00 O ATOM 722 OD2 ASP A 51 28.363 10.501 13.553 1.00 0.00 O ATOM 0 H ASP A 51 33.011 9.450 13.815 1.00 0.00 H new ATOM 0 HA ASP A 51 30.928 7.762 12.970 1.00 0.00 H new ATOM 0 HB2 ASP A 51 30.882 9.429 14.880 1.00 0.00 H new ATOM 0 HB3 ASP A 51 30.822 10.727 13.705 1.00 0.00 H new ATOM 727 N LYS A 52 31.917 9.784 10.735 1.00 0.00 N ATOM 728 CA LYS A 52 31.708 10.270 9.378 1.00 0.00 C ATOM 729 C LYS A 52 31.315 9.124 8.458 1.00 0.00 C ATOM 730 O LYS A 52 30.784 9.339 7.368 1.00 0.00 O ATOM 731 CB LYS A 52 32.995 10.919 8.863 1.00 0.00 C ATOM 732 CG LYS A 52 33.375 12.120 9.745 1.00 0.00 C ATOM 733 CD LYS A 52 32.578 13.362 9.323 1.00 0.00 C ATOM 734 CE LYS A 52 33.046 14.567 10.138 1.00 0.00 C ATOM 735 NZ LYS A 52 34.475 14.851 9.823 1.00 0.00 N ATOM 0 H LYS A 52 32.872 9.883 11.079 1.00 0.00 H new ATOM 0 HA LYS A 52 30.903 11.005 9.389 1.00 0.00 H new ATOM 0 HB2 LYS A 52 33.804 10.189 8.863 1.00 0.00 H new ATOM 0 HB3 LYS A 52 32.859 11.245 7.832 1.00 0.00 H new ATOM 0 HG2 LYS A 52 33.175 11.889 10.791 1.00 0.00 H new ATOM 0 HG3 LYS A 52 34.443 12.319 9.661 1.00 0.00 H new ATOM 0 HD2 LYS A 52 32.717 13.553 8.259 1.00 0.00 H new ATOM 0 HD3 LYS A 52 31.512 13.195 9.480 1.00 0.00 H new ATOM 0 HE2 LYS A 52 32.431 15.437 9.908 1.00 0.00 H new ATOM 0 HE3 LYS A 52 32.929 14.367 11.203 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 34.642 15.877 9.864 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 35.085 14.373 10.516 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 34.696 14.502 8.869 1.00 0.00 H new ATOM 1144 N THR A 79 23.268 16.478 -7.939 1.00 0.00 N ATOM 1145 CA THR A 79 23.101 15.818 -9.228 1.00 0.00 C ATOM 1146 C THR A 79 22.898 14.316 -9.041 1.00 0.00 C ATOM 1147 O THR A 79 22.024 13.717 -9.662 1.00 0.00 O ATOM 1148 CB THR A 79 24.335 16.058 -10.102 1.00 0.00 C ATOM 1149 OG1 THR A 79 25.468 15.454 -9.493 1.00 0.00 O ATOM 1150 CG2 THR A 79 24.573 17.562 -10.249 1.00 0.00 C ATOM 0 HA THR A 79 22.220 16.236 -9.715 1.00 0.00 H new ATOM 0 HB THR A 79 24.175 15.620 -11.087 1.00 0.00 H new ATOM 0 HG1 THR A 79 26.259 15.605 -10.052 1.00 0.00 H new ATOM 0 HG21 THR A 79 25.452 17.732 -10.871 1.00 0.00 H new ATOM 0 HG22 THR A 79 23.703 18.024 -10.715 1.00 0.00 H new ATOM 0 HG23 THR A 79 24.734 18.003 -9.265 1.00 0.00 H new ATOM 1158 N SER A 80 23.712 13.717 -8.177 1.00 0.00 N ATOM 1159 CA SER A 80 23.609 12.286 -7.916 1.00 0.00 C ATOM 1160 C SER A 80 22.244 11.942 -7.326 1.00 0.00 C ATOM 1161 O SER A 80 21.618 10.957 -7.717 1.00 0.00 O ATOM 1162 CB SER A 80 24.709 11.852 -6.947 1.00 0.00 C ATOM 1163 OG SER A 80 25.976 12.170 -7.506 1.00 0.00 O ATOM 0 H SER A 80 24.443 14.195 -7.651 1.00 0.00 H new ATOM 0 HA SER A 80 23.726 11.756 -8.861 1.00 0.00 H new ATOM 0 HB2 SER A 80 24.585 12.355 -5.988 1.00 0.00 H new ATOM 0 HB3 SER A 80 24.641 10.781 -6.756 1.00 0.00 H new ATOM 0 HG SER A 80 26.685 11.895 -6.887 1.00 0.00 H new ATOM 1169 N ALA A 81 21.791 12.762 -6.383 1.00 0.00 N ATOM 1170 CA ALA A 81 20.500 12.538 -5.742 1.00 0.00 C ATOM 1171 C ALA A 81 19.364 12.697 -6.746 1.00 0.00 C ATOM 1172 O ALA A 81 18.366 11.979 -6.688 1.00 0.00 O ATOM 1173 CB ALA A 81 20.307 13.527 -4.591 1.00 0.00 C ATOM 0 H ALA A 81 22.295 13.583 -6.047 1.00 0.00 H new ATOM 0 HA ALA A 81 20.485 11.520 -5.353 1.00 0.00 H new ATOM 0 HB1 ALA A 81 19.340 13.352 -4.119 1.00 0.00 H new ATOM 0 HB2 ALA A 81 21.100 13.389 -3.856 1.00 0.00 H new ATOM 0 HB3 ALA A 81 20.343 14.546 -4.977 1.00 0.00 H new ATOM 1179 N ALA A 82 19.519 13.645 -7.664 1.00 0.00 N ATOM 1180 CA ALA A 82 18.495 13.892 -8.671 1.00 0.00 C ATOM 1181 C ALA A 82 18.204 12.619 -9.456 1.00 0.00 C ATOM 1182 O ALA A 82 17.062 12.358 -9.829 1.00 0.00 O ATOM 1183 CB ALA A 82 18.959 14.993 -9.629 1.00 0.00 C ATOM 0 H ALA A 82 20.337 14.250 -7.731 1.00 0.00 H new ATOM 0 HA ALA A 82 17.583 14.212 -8.167 1.00 0.00 H new ATOM 0 HB1 ALA A 82 18.188 15.172 -10.379 1.00 0.00 H new ATOM 0 HB2 ALA A 82 19.140 15.910 -9.069 1.00 0.00 H new ATOM 0 HB3 ALA A 82 19.880 14.682 -10.122 1.00 0.00 H new ATOM 1189 N LYS A 83 19.243 11.831 -9.710 1.00 0.00 N ATOM 1190 CA LYS A 83 19.077 10.595 -10.456 1.00 0.00 C ATOM 1191 C LYS A 83 18.153 9.635 -9.717 1.00 0.00 C ATOM 1192 O LYS A 83 17.222 9.080 -10.301 1.00 0.00 O ATOM 1193 CB LYS A 83 20.443 9.934 -10.648 1.00 0.00 C ATOM 1194 CG LYS A 83 21.308 10.782 -11.602 1.00 0.00 C ATOM 1195 CD LYS A 83 21.042 10.378 -13.066 1.00 0.00 C ATOM 1196 CE LYS A 83 21.941 9.201 -13.450 1.00 0.00 C ATOM 1197 NZ LYS A 83 21.632 8.776 -14.841 1.00 0.00 N ATOM 0 H LYS A 83 20.199 12.026 -9.413 1.00 0.00 H new ATOM 0 HA LYS A 83 18.633 10.830 -11.423 1.00 0.00 H new ATOM 0 HB2 LYS A 83 20.944 9.829 -9.686 1.00 0.00 H new ATOM 0 HB3 LYS A 83 20.317 8.930 -11.053 1.00 0.00 H new ATOM 0 HG2 LYS A 83 21.085 11.840 -11.463 1.00 0.00 H new ATOM 0 HG3 LYS A 83 22.363 10.645 -11.366 1.00 0.00 H new ATOM 0 HD2 LYS A 83 19.995 10.104 -13.193 1.00 0.00 H new ATOM 0 HD3 LYS A 83 21.232 11.224 -13.727 1.00 0.00 H new ATOM 0 HE2 LYS A 83 22.989 9.489 -13.370 1.00 0.00 H new ATOM 0 HE3 LYS A 83 21.785 8.371 -12.761 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 22.242 7.976 -15.103 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 20.635 8.485 -14.902 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 21.802 9.569 -15.492 1.00 0.00 H new ATOM 1211 N LEU A 84 18.412 9.449 -8.430 1.00 0.00 N ATOM 1212 CA LEU A 84 17.595 8.557 -7.617 1.00 0.00 C ATOM 1213 C LEU A 84 16.183 9.116 -7.475 1.00 0.00 C ATOM 1214 O LEU A 84 15.203 8.375 -7.508 1.00 0.00 O ATOM 1215 CB LEU A 84 18.231 8.380 -6.233 1.00 0.00 C ATOM 1216 CG LEU A 84 19.368 7.356 -6.316 1.00 0.00 C ATOM 1217 CD1 LEU A 84 20.445 7.863 -7.279 1.00 0.00 C ATOM 1218 CD2 LEU A 84 19.976 7.164 -4.925 1.00 0.00 C ATOM 0 H LEU A 84 19.177 9.901 -7.928 1.00 0.00 H new ATOM 0 HA LEU A 84 17.539 7.586 -8.109 1.00 0.00 H new ATOM 0 HB2 LEU A 84 18.614 9.335 -5.873 1.00 0.00 H new ATOM 0 HB3 LEU A 84 17.480 8.047 -5.517 1.00 0.00 H new ATOM 0 HG LEU A 84 18.978 6.405 -6.680 1.00 0.00 H new ATOM 0 HD11 LEU A 84 21.253 7.134 -7.337 1.00 0.00 H new ATOM 0 HD12 LEU A 84 20.011 8.004 -8.269 1.00 0.00 H new ATOM 0 HD13 LEU A 84 20.839 8.813 -6.917 1.00 0.00 H new ATOM 0 HD21 LEU A 84 20.786 6.436 -4.979 1.00 0.00 H new ATOM 0 HD22 LEU A 84 20.367 8.115 -4.564 1.00 0.00 H new ATOM 0 HD23 LEU A 84 19.209 6.803 -4.239 1.00 0.00 H new ATOM 1230 N LYS A 85 16.092 10.430 -7.312 1.00 0.00 N ATOM 1231 CA LYS A 85 14.799 11.084 -7.159 1.00 0.00 C ATOM 1232 C LYS A 85 13.936 10.859 -8.393 1.00 0.00 C ATOM 1233 O LYS A 85 12.709 10.831 -8.306 1.00 0.00 O ATOM 1234 CB LYS A 85 14.992 12.585 -6.931 1.00 0.00 C ATOM 1235 CG LYS A 85 13.639 13.236 -6.642 1.00 0.00 C ATOM 1236 CD LYS A 85 13.839 14.721 -6.336 1.00 0.00 C ATOM 1237 CE LYS A 85 12.485 15.367 -6.033 1.00 0.00 C ATOM 1238 NZ LYS A 85 12.688 16.800 -5.677 1.00 0.00 N ATOM 0 H LYS A 85 16.893 11.061 -7.282 1.00 0.00 H new ATOM 0 HA LYS A 85 14.295 10.651 -6.295 1.00 0.00 H new ATOM 0 HB2 LYS A 85 15.673 12.752 -6.097 1.00 0.00 H new ATOM 0 HB3 LYS A 85 15.447 13.042 -7.810 1.00 0.00 H new ATOM 0 HG2 LYS A 85 12.976 13.117 -7.499 1.00 0.00 H new ATOM 0 HG3 LYS A 85 13.159 12.742 -5.797 1.00 0.00 H new ATOM 0 HD2 LYS A 85 14.509 14.841 -5.485 1.00 0.00 H new ATOM 0 HD3 LYS A 85 14.309 15.218 -7.185 1.00 0.00 H new ATOM 0 HE2 LYS A 85 11.829 15.286 -6.900 1.00 0.00 H new ATOM 0 HE3 LYS A 85 11.995 14.843 -5.212 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 11.769 17.240 -5.471 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 13.299 16.866 -4.838 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 13.138 17.295 -6.473 1.00 0.00 H new ATOM 1252 N ARG A 86 14.582 10.706 -9.542 1.00 0.00 N ATOM 1253 CA ARG A 86 13.858 10.493 -10.788 1.00 0.00 C ATOM 1254 C ARG A 86 12.981 9.252 -10.697 1.00 0.00 C ATOM 1255 O ARG A 86 11.820 9.267 -11.110 1.00 0.00 O ATOM 1256 CB ARG A 86 14.849 10.335 -11.944 1.00 0.00 C ATOM 1257 CG ARG A 86 14.084 10.207 -13.262 1.00 0.00 C ATOM 1258 CD ARG A 86 15.074 10.205 -14.428 1.00 0.00 C ATOM 1259 NE ARG A 86 15.955 9.045 -14.344 1.00 0.00 N ATOM 1260 CZ ARG A 86 16.957 8.879 -15.203 1.00 0.00 C ATOM 1261 NH1 ARG A 86 17.160 9.758 -16.146 1.00 0.00 N ATOM 1262 NH2 ARG A 86 17.736 7.837 -15.102 1.00 0.00 N ATOM 0 H ARG A 86 15.597 10.725 -9.637 1.00 0.00 H new ATOM 0 HA ARG A 86 13.221 11.359 -10.967 1.00 0.00 H new ATOM 0 HB2 ARG A 86 15.518 11.194 -11.982 1.00 0.00 H new ATOM 0 HB3 ARG A 86 15.471 9.454 -11.786 1.00 0.00 H new ATOM 0 HG2 ARG A 86 13.498 9.288 -13.267 1.00 0.00 H new ATOM 0 HG3 ARG A 86 13.381 11.034 -13.369 1.00 0.00 H new ATOM 0 HD2 ARG A 86 14.532 10.191 -15.374 1.00 0.00 H new ATOM 0 HD3 ARG A 86 15.665 11.121 -14.413 1.00 0.00 H new ATOM 0 HE ARG A 86 15.800 8.350 -13.614 1.00 0.00 H new ATOM 0 HH11 ARG A 86 16.550 10.572 -16.224 1.00 0.00 H new ATOM 0 HH12 ARG A 86 17.928 9.631 -16.805 1.00 0.00 H new ATOM 0 HH21 ARG A 86 17.576 7.150 -14.365 1.00 0.00 H new ATOM 0 HH22 ARG A 86 18.505 7.709 -15.760 1.00 0.00 H new ATOM 1403 N LEU A 93 19.865 1.410 -10.979 1.00 0.00 N ATOM 1404 CA LEU A 93 20.987 0.787 -10.287 1.00 0.00 C ATOM 1405 C LEU A 93 20.585 -0.581 -9.742 1.00 0.00 C ATOM 1406 O LEU A 93 21.414 -1.486 -9.634 1.00 0.00 O ATOM 1407 CB LEU A 93 21.467 1.689 -9.138 1.00 0.00 C ATOM 1408 CG LEU A 93 22.386 2.785 -9.689 1.00 0.00 C ATOM 1409 CD1 LEU A 93 21.597 3.678 -10.647 1.00 0.00 C ATOM 1410 CD2 LEU A 93 22.918 3.629 -8.529 1.00 0.00 C ATOM 0 HA LEU A 93 21.802 0.654 -10.999 1.00 0.00 H new ATOM 0 HB2 LEU A 93 20.611 2.138 -8.634 1.00 0.00 H new ATOM 0 HB3 LEU A 93 21.999 1.095 -8.395 1.00 0.00 H new ATOM 0 HG LEU A 93 23.220 2.328 -10.222 1.00 0.00 H new ATOM 0 HD11 LEU A 93 22.250 4.458 -11.039 1.00 0.00 H new ATOM 0 HD12 LEU A 93 21.213 3.077 -11.472 1.00 0.00 H new ATOM 0 HD13 LEU A 93 20.764 4.137 -10.114 1.00 0.00 H new ATOM 0 HD21 LEU A 93 23.572 4.410 -8.917 1.00 0.00 H new ATOM 0 HD22 LEU A 93 22.083 4.086 -7.999 1.00 0.00 H new ATOM 0 HD23 LEU A 93 23.479 2.993 -7.844 1.00 0.00 H new ATOM 1422 N LYS A 94 19.313 -0.720 -9.387 1.00 0.00 N ATOM 1423 CA LYS A 94 18.820 -1.976 -8.837 1.00 0.00 C ATOM 1424 C LYS A 94 19.078 -3.123 -9.809 1.00 0.00 C ATOM 1425 O LYS A 94 19.486 -4.211 -9.403 1.00 0.00 O ATOM 1426 CB LYS A 94 17.320 -1.867 -8.558 1.00 0.00 C ATOM 1427 CG LYS A 94 16.835 -3.140 -7.864 1.00 0.00 C ATOM 1428 CD LYS A 94 15.354 -2.996 -7.508 1.00 0.00 C ATOM 1429 CE LYS A 94 14.872 -4.263 -6.799 1.00 0.00 C ATOM 1430 NZ LYS A 94 15.612 -4.422 -5.514 1.00 0.00 N ATOM 0 H LYS A 94 18.610 0.015 -9.469 1.00 0.00 H new ATOM 0 HA LYS A 94 19.349 -2.179 -7.906 1.00 0.00 H new ATOM 0 HB2 LYS A 94 17.118 -0.999 -7.930 1.00 0.00 H new ATOM 0 HB3 LYS A 94 16.776 -1.719 -9.491 1.00 0.00 H new ATOM 0 HG2 LYS A 94 16.981 -4.001 -8.517 1.00 0.00 H new ATOM 0 HG3 LYS A 94 17.421 -3.321 -6.963 1.00 0.00 H new ATOM 0 HD2 LYS A 94 15.207 -2.129 -6.865 1.00 0.00 H new ATOM 0 HD3 LYS A 94 14.767 -2.827 -8.411 1.00 0.00 H new ATOM 0 HE2 LYS A 94 13.800 -4.202 -6.609 1.00 0.00 H new ATOM 0 HE3 LYS A 94 15.034 -5.133 -7.435 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 14.942 -4.657 -4.754 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 16.310 -5.187 -5.608 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 16.101 -3.534 -5.283 1.00 0.00 H new ATOM 1444 N MET A 95 18.848 -2.873 -11.090 1.00 0.00 N ATOM 1445 CA MET A 95 19.068 -3.894 -12.108 1.00 0.00 C ATOM 1446 C MET A 95 20.547 -4.258 -12.191 1.00 0.00 C ATOM 1447 O MET A 95 20.900 -5.426 -12.349 1.00 0.00 O ATOM 1448 CB MET A 95 18.586 -3.387 -13.470 1.00 0.00 C ATOM 1449 CG MET A 95 17.057 -3.419 -13.516 1.00 0.00 C ATOM 1450 SD MET A 95 16.482 -2.832 -15.132 1.00 0.00 S ATOM 1451 CE MET A 95 16.640 -1.057 -14.816 1.00 0.00 C ATOM 0 H MET A 95 18.512 -1.979 -11.449 1.00 0.00 H new ATOM 0 HA MET A 95 18.502 -4.784 -11.832 1.00 0.00 H new ATOM 0 HB2 MET A 95 18.944 -2.371 -13.639 1.00 0.00 H new ATOM 0 HB3 MET A 95 18.997 -4.007 -14.267 1.00 0.00 H new ATOM 0 HG2 MET A 95 16.699 -4.433 -13.338 1.00 0.00 H new ATOM 0 HG3 MET A 95 16.647 -2.793 -12.724 1.00 0.00 H new ATOM 0 HE1 MET A 95 15.648 -0.613 -14.729 1.00 0.00 H new ATOM 0 HE2 MET A 95 17.191 -0.900 -13.889 1.00 0.00 H new ATOM 0 HE3 MET A 95 17.176 -0.587 -15.640 1.00 0.00 H new ATOM 1461 N MET A 96 21.408 -3.251 -12.087 1.00 0.00 N ATOM 1462 CA MET A 96 22.846 -3.482 -12.158 1.00 0.00 C ATOM 1463 C MET A 96 23.307 -4.347 -10.988 1.00 0.00 C ATOM 1464 O MET A 96 24.131 -5.245 -11.156 1.00 0.00 O ATOM 1465 CB MET A 96 23.588 -2.144 -12.130 1.00 0.00 C ATOM 1466 CG MET A 96 23.434 -1.443 -13.481 1.00 0.00 C ATOM 1467 SD MET A 96 24.212 0.190 -13.403 1.00 0.00 S ATOM 1468 CE MET A 96 25.914 -0.374 -13.157 1.00 0.00 C ATOM 0 H MET A 96 21.139 -2.276 -11.955 1.00 0.00 H new ATOM 0 HA MET A 96 23.069 -4.003 -13.089 1.00 0.00 H new ATOM 0 HB2 MET A 96 23.191 -1.513 -11.334 1.00 0.00 H new ATOM 0 HB3 MET A 96 24.643 -2.307 -11.912 1.00 0.00 H new ATOM 0 HG2 MET A 96 23.895 -2.040 -14.268 1.00 0.00 H new ATOM 0 HG3 MET A 96 22.378 -1.343 -13.733 1.00 0.00 H new ATOM 0 HE1 MET A 96 26.605 0.382 -13.530 1.00 0.00 H new ATOM 0 HE2 MET A 96 26.093 -0.537 -12.094 1.00 0.00 H new ATOM 0 HE3 MET A 96 26.070 -1.307 -13.699 1.00 0.00 H new ATOM 1478 N ILE A 97 22.770 -4.070 -9.805 1.00 0.00 N ATOM 1479 CA ILE A 97 23.134 -4.830 -8.616 1.00 0.00 C ATOM 1480 C ILE A 97 22.710 -6.287 -8.766 1.00 0.00 C ATOM 1481 O ILE A 97 23.464 -7.202 -8.431 1.00 0.00 O ATOM 1482 CB ILE A 97 22.460 -4.221 -7.382 1.00 0.00 C ATOM 1483 CG1 ILE A 97 23.051 -2.835 -7.112 1.00 0.00 C ATOM 1484 CG2 ILE A 97 22.704 -5.119 -6.167 1.00 0.00 C ATOM 1485 CD1 ILE A 97 22.192 -2.108 -6.076 1.00 0.00 C ATOM 0 H ILE A 97 22.086 -3.330 -9.645 1.00 0.00 H new ATOM 0 HA ILE A 97 24.216 -4.789 -8.494 1.00 0.00 H new ATOM 0 HB ILE A 97 21.388 -4.135 -7.561 1.00 0.00 H new ATOM 0 HG12 ILE A 97 24.075 -2.929 -6.750 1.00 0.00 H new ATOM 0 HG13 ILE A 97 23.091 -2.258 -8.036 1.00 0.00 H new ATOM 0 HG21 ILE A 97 22.224 -4.684 -5.291 1.00 0.00 H new ATOM 0 HG22 ILE A 97 22.287 -6.108 -6.356 1.00 0.00 H new ATOM 0 HG23 ILE A 97 23.776 -5.206 -5.988 1.00 0.00 H new ATOM 0 HD11 ILE A 97 22.612 -1.121 -5.883 1.00 0.00 H new ATOM 0 HD12 ILE A 97 21.176 -2.002 -6.456 1.00 0.00 H new ATOM 0 HD13 ILE A 97 22.175 -2.682 -5.150 1.00 0.00 H new ATOM 1497 N ILE A 98 21.498 -6.494 -9.270 1.00 0.00 N ATOM 1498 CA ILE A 98 20.979 -7.842 -9.459 1.00 0.00 C ATOM 1499 C ILE A 98 21.833 -8.598 -10.468 1.00 0.00 C ATOM 1500 O ILE A 98 22.137 -9.773 -10.278 1.00 0.00 O ATOM 1501 CB ILE A 98 19.529 -7.783 -9.951 1.00 0.00 C ATOM 1502 CG1 ILE A 98 18.640 -7.225 -8.838 1.00 0.00 C ATOM 1503 CG2 ILE A 98 19.052 -9.193 -10.320 1.00 0.00 C ATOM 1504 CD1 ILE A 98 17.261 -6.890 -9.408 1.00 0.00 C ATOM 0 H ILE A 98 20.861 -5.750 -9.553 1.00 0.00 H new ATOM 0 HA ILE A 98 21.012 -8.365 -8.503 1.00 0.00 H new ATOM 0 HB ILE A 98 19.470 -7.139 -10.828 1.00 0.00 H new ATOM 0 HG12 ILE A 98 18.546 -7.954 -8.033 1.00 0.00 H new ATOM 0 HG13 ILE A 98 19.094 -6.332 -8.408 1.00 0.00 H new ATOM 0 HG21 ILE A 98 18.021 -9.148 -10.670 1.00 0.00 H new ATOM 0 HG22 ILE A 98 19.686 -9.596 -11.110 1.00 0.00 H new ATOM 0 HG23 ILE A 98 19.110 -9.838 -9.443 1.00 0.00 H new ATOM 0 HD11 ILE A 98 16.627 -6.492 -8.616 1.00 0.00 H new ATOM 0 HD12 ILE A 98 17.365 -6.146 -10.198 1.00 0.00 H new ATOM 0 HD13 ILE A 98 16.807 -7.793 -9.817 1.00 0.00 H new ATOM 1516 N LEU A 99 22.210 -7.920 -11.542 1.00 0.00 N ATOM 1517 CA LEU A 99 23.020 -8.549 -12.576 1.00 0.00 C ATOM 1518 C LEU A 99 24.338 -9.046 -11.992 1.00 0.00 C ATOM 1519 O LEU A 99 24.815 -10.124 -12.346 1.00 0.00 O ATOM 1520 CB LEU A 99 23.300 -7.548 -13.704 1.00 0.00 C ATOM 1521 CG LEU A 99 24.233 -8.180 -14.753 1.00 0.00 C ATOM 1522 CD1 LEU A 99 23.614 -9.481 -15.292 1.00 0.00 C ATOM 1523 CD2 LEU A 99 24.444 -7.189 -15.902 1.00 0.00 C ATOM 0 H LEU A 99 21.971 -6.944 -11.720 1.00 0.00 H new ATOM 0 HA LEU A 99 22.470 -9.400 -12.977 1.00 0.00 H new ATOM 0 HB2 LEU A 99 22.364 -7.246 -14.174 1.00 0.00 H new ATOM 0 HB3 LEU A 99 23.757 -6.647 -13.296 1.00 0.00 H new ATOM 0 HG LEU A 99 25.192 -8.413 -14.291 1.00 0.00 H new ATOM 0 HD11 LEU A 99 24.281 -9.921 -16.033 1.00 0.00 H new ATOM 0 HD12 LEU A 99 23.470 -10.183 -14.471 1.00 0.00 H new ATOM 0 HD13 LEU A 99 22.652 -9.262 -15.754 1.00 0.00 H new ATOM 0 HD21 LEU A 99 25.104 -7.632 -16.648 1.00 0.00 H new ATOM 0 HD22 LEU A 99 23.484 -6.954 -16.361 1.00 0.00 H new ATOM 0 HD23 LEU A 99 24.895 -6.275 -15.516 1.00 0.00 H new ATOM 1535 N GLY A 100 24.927 -8.251 -11.111 1.00 0.00 N ATOM 1536 CA GLY A 100 26.196 -8.618 -10.498 1.00 0.00 C ATOM 1537 C GLY A 100 26.065 -9.915 -9.708 1.00 0.00 C ATOM 1538 O GLY A 100 27.003 -10.707 -9.633 1.00 0.00 O ATOM 0 H GLY A 100 24.550 -7.354 -10.806 1.00 0.00 H new ATOM 0 HA2 GLY A 100 26.957 -8.733 -11.270 1.00 0.00 H new ATOM 0 HA3 GLY A 100 26.530 -7.818 -9.838 1.00 0.00 H new ATOM 1542 N VAL A 101 24.897 -10.128 -9.118 1.00 0.00 N ATOM 1543 CA VAL A 101 24.662 -11.335 -8.337 1.00 0.00 C ATOM 1544 C VAL A 101 24.712 -12.575 -9.229 1.00 0.00 C ATOM 1545 O VAL A 101 25.296 -13.593 -8.861 1.00 0.00 O ATOM 1546 CB VAL A 101 23.299 -11.253 -7.643 1.00 0.00 C ATOM 1547 CG1 VAL A 101 22.991 -12.578 -6.942 1.00 0.00 C ATOM 1548 CG2 VAL A 101 23.325 -10.125 -6.609 1.00 0.00 C ATOM 0 H VAL A 101 24.104 -9.488 -9.164 1.00 0.00 H new ATOM 0 HA VAL A 101 25.447 -11.415 -7.585 1.00 0.00 H new ATOM 0 HB VAL A 101 22.528 -11.054 -8.387 1.00 0.00 H new ATOM 0 HG11 VAL A 101 22.020 -12.513 -6.451 1.00 0.00 H new ATOM 0 HG12 VAL A 101 22.972 -13.383 -7.677 1.00 0.00 H new ATOM 0 HG13 VAL A 101 23.761 -12.784 -6.198 1.00 0.00 H new ATOM 0 HG21 VAL A 101 22.356 -10.064 -6.113 1.00 0.00 H new ATOM 0 HG22 VAL A 101 24.099 -10.327 -5.869 1.00 0.00 H new ATOM 0 HG23 VAL A 101 23.538 -9.179 -7.107 1.00 0.00 H new ATOM 1558 N ILE A 102 24.078 -12.488 -10.394 1.00 0.00 N ATOM 1559 CA ILE A 102 24.036 -13.617 -11.320 1.00 0.00 C ATOM 1560 C ILE A 102 25.434 -13.963 -11.808 1.00 0.00 C ATOM 1561 O ILE A 102 25.827 -15.130 -11.860 1.00 0.00 O ATOM 1562 CB ILE A 102 23.147 -13.266 -12.519 1.00 0.00 C ATOM 1563 CG1 ILE A 102 21.821 -12.667 -12.025 1.00 0.00 C ATOM 1564 CG2 ILE A 102 22.852 -14.533 -13.319 1.00 0.00 C ATOM 1565 CD1 ILE A 102 21.228 -13.544 -10.924 1.00 0.00 C ATOM 0 H ILE A 102 23.589 -11.654 -10.719 1.00 0.00 H new ATOM 0 HA ILE A 102 23.625 -14.481 -10.797 1.00 0.00 H new ATOM 0 HB ILE A 102 23.664 -12.541 -13.148 1.00 0.00 H new ATOM 0 HG12 ILE A 102 21.987 -11.658 -11.647 1.00 0.00 H new ATOM 0 HG13 ILE A 102 21.118 -12.586 -12.854 1.00 0.00 H new ATOM 0 HG21 ILE A 102 22.220 -14.286 -14.172 1.00 0.00 H new ATOM 0 HG22 ILE A 102 23.788 -14.965 -13.674 1.00 0.00 H new ATOM 0 HG23 ILE A 102 22.338 -15.253 -12.683 1.00 0.00 H new ATOM 0 HD11 ILE A 102 20.288 -13.111 -10.580 1.00 0.00 H new ATOM 0 HD12 ILE A 102 21.045 -14.545 -11.315 1.00 0.00 H new ATOM 0 HD13 ILE A 102 21.927 -13.603 -10.090 1.00 0.00 H new ATOM 1577 N CYS A 103 26.176 -12.939 -12.162 1.00 0.00 N ATOM 1578 CA CYS A 103 27.540 -13.130 -12.649 1.00 0.00 C ATOM 1579 C CYS A 103 28.417 -13.739 -11.560 1.00 0.00 C ATOM 1580 O CYS A 103 29.194 -14.652 -11.817 1.00 0.00 O ATOM 1581 CB CYS A 103 28.140 -11.798 -13.115 1.00 0.00 C ATOM 1582 SG CYS A 103 28.723 -10.840 -11.692 1.00 0.00 S ATOM 0 H CYS A 103 25.869 -11.967 -12.126 1.00 0.00 H new ATOM 0 HA CYS A 103 27.503 -13.814 -13.497 1.00 0.00 H new ATOM 0 HB2 CYS A 103 28.967 -11.984 -13.801 1.00 0.00 H new ATOM 0 HB3 CYS A 103 27.392 -11.227 -13.665 1.00 0.00 H new ATOM 0 HG CYS A 103 27.822 -10.862 -10.755 1.00 0.00 H new ATOM 1588 N ALA A 104 28.284 -13.221 -10.345 1.00 0.00 N ATOM 1589 CA ALA A 104 29.079 -13.710 -9.225 1.00 0.00 C ATOM 1590 C ALA A 104 28.948 -15.221 -9.091 1.00 0.00 C ATOM 1591 O ALA A 104 29.909 -15.904 -8.748 1.00 0.00 O ATOM 1592 CB ALA A 104 28.618 -13.042 -7.929 1.00 0.00 C ATOM 0 H ALA A 104 27.638 -12.467 -10.111 1.00 0.00 H new ATOM 0 HA ALA A 104 30.124 -13.463 -9.412 1.00 0.00 H new ATOM 0 HB1 ALA A 104 29.216 -13.412 -7.096 1.00 0.00 H new ATOM 0 HB2 ALA A 104 28.741 -11.962 -8.013 1.00 0.00 H new ATOM 0 HB3 ALA A 104 27.568 -13.275 -7.753 1.00 0.00 H new ATOM 1598 N ILE A 105 27.754 -15.732 -9.367 1.00 0.00 N ATOM 1599 CA ILE A 105 27.501 -17.165 -9.280 1.00 0.00 C ATOM 1600 C ILE A 105 28.364 -17.917 -10.291 1.00 0.00 C ATOM 1601 O ILE A 105 28.910 -18.973 -9.998 1.00 0.00 O ATOM 1602 CB ILE A 105 26.023 -17.458 -9.540 1.00 0.00 C ATOM 1603 CG1 ILE A 105 25.183 -16.877 -8.401 1.00 0.00 C ATOM 1604 CG2 ILE A 105 25.805 -18.972 -9.606 1.00 0.00 C ATOM 1605 CD1 ILE A 105 23.698 -16.930 -8.775 1.00 0.00 C ATOM 0 H ILE A 105 26.947 -15.177 -9.652 1.00 0.00 H new ATOM 0 HA ILE A 105 27.758 -17.502 -8.276 1.00 0.00 H new ATOM 0 HB ILE A 105 25.724 -17.005 -10.485 1.00 0.00 H new ATOM 0 HG12 ILE A 105 25.357 -17.440 -7.484 1.00 0.00 H new ATOM 0 HG13 ILE A 105 25.482 -15.847 -8.205 1.00 0.00 H new ATOM 0 HG21 ILE A 105 24.751 -19.180 -9.791 1.00 0.00 H new ATOM 0 HG22 ILE A 105 26.405 -19.391 -10.414 1.00 0.00 H new ATOM 0 HG23 ILE A 105 26.103 -19.424 -8.660 1.00 0.00 H new ATOM 0 HD11 ILE A 105 23.103 -16.515 -7.961 1.00 0.00 H new ATOM 0 HD12 ILE A 105 23.530 -16.348 -9.681 1.00 0.00 H new ATOM 0 HD13 ILE A 105 23.403 -17.965 -8.949 1.00 0.00 H new ATOM 1617 N ILE A 106 28.466 -17.374 -11.491 1.00 0.00 N ATOM 1618 CA ILE A 106 29.258 -18.013 -12.537 1.00 0.00 C ATOM 1619 C ILE A 106 30.734 -18.073 -12.144 1.00 0.00 C ATOM 1620 O ILE A 106 31.409 -19.073 -12.384 1.00 0.00 O ATOM 1621 CB ILE A 106 29.110 -17.247 -13.852 1.00 0.00 C ATOM 1622 CG1 ILE A 106 27.671 -17.389 -14.351 1.00 0.00 C ATOM 1623 CG2 ILE A 106 30.071 -17.824 -14.900 1.00 0.00 C ATOM 1624 CD1 ILE A 106 27.428 -16.407 -15.499 1.00 0.00 C ATOM 0 H ILE A 106 28.017 -16.501 -11.768 1.00 0.00 H new ATOM 0 HA ILE A 106 28.889 -19.031 -12.666 1.00 0.00 H new ATOM 0 HB ILE A 106 29.346 -16.195 -13.690 1.00 0.00 H new ATOM 0 HG12 ILE A 106 27.491 -18.410 -14.688 1.00 0.00 H new ATOM 0 HG13 ILE A 106 26.972 -17.194 -13.538 1.00 0.00 H new ATOM 0 HG21 ILE A 106 29.962 -17.275 -15.835 1.00 0.00 H new ATOM 0 HG22 ILE A 106 31.097 -17.732 -14.543 1.00 0.00 H new ATOM 0 HG23 ILE A 106 29.838 -18.876 -15.067 1.00 0.00 H new ATOM 0 HD11 ILE A 106 26.402 -16.509 -15.854 1.00 0.00 H new ATOM 0 HD12 ILE A 106 27.591 -15.388 -15.147 1.00 0.00 H new ATOM 0 HD13 ILE A 106 28.118 -16.623 -16.315 1.00 0.00 H new ATOM 1636 N LEU A 107 31.238 -16.986 -11.567 1.00 0.00 N ATOM 1637 CA LEU A 107 32.649 -16.922 -11.184 1.00 0.00 C ATOM 1638 C LEU A 107 33.016 -18.023 -10.196 1.00 0.00 C ATOM 1639 O LEU A 107 34.017 -18.718 -10.375 1.00 0.00 O ATOM 1640 CB LEU A 107 32.938 -15.548 -10.553 1.00 0.00 C ATOM 1641 CG LEU A 107 33.383 -14.540 -11.628 1.00 0.00 C ATOM 1642 CD1 LEU A 107 34.805 -14.884 -12.126 1.00 0.00 C ATOM 1643 CD2 LEU A 107 32.389 -14.557 -12.808 1.00 0.00 C ATOM 0 H LEU A 107 30.700 -16.146 -11.355 1.00 0.00 H new ATOM 0 HA LEU A 107 33.252 -17.064 -12.081 1.00 0.00 H new ATOM 0 HB2 LEU A 107 32.045 -15.179 -10.048 1.00 0.00 H new ATOM 0 HB3 LEU A 107 33.715 -15.646 -9.795 1.00 0.00 H new ATOM 0 HG LEU A 107 33.398 -13.541 -11.191 1.00 0.00 H new ATOM 0 HD11 LEU A 107 35.108 -14.164 -12.886 1.00 0.00 H new ATOM 0 HD12 LEU A 107 35.503 -14.845 -11.290 1.00 0.00 H new ATOM 0 HD13 LEU A 107 34.808 -15.886 -12.554 1.00 0.00 H new ATOM 0 HD21 LEU A 107 32.710 -13.841 -13.565 1.00 0.00 H new ATOM 0 HD22 LEU A 107 32.358 -15.556 -13.243 1.00 0.00 H new ATOM 0 HD23 LEU A 107 31.396 -14.286 -12.451 1.00 0.00 H new ATOM 1655 N ILE A 108 32.210 -18.186 -9.166 1.00 0.00 N ATOM 1656 CA ILE A 108 32.480 -19.211 -8.171 1.00 0.00 C ATOM 1657 C ILE A 108 32.368 -20.598 -8.795 1.00 0.00 C ATOM 1658 O ILE A 108 33.155 -21.490 -8.485 1.00 0.00 O ATOM 1659 CB ILE A 108 31.509 -19.063 -6.999 1.00 0.00 C ATOM 1660 CG1 ILE A 108 30.084 -19.014 -7.533 1.00 0.00 C ATOM 1661 CG2 ILE A 108 31.811 -17.769 -6.245 1.00 0.00 C ATOM 1662 CD1 ILE A 108 29.093 -18.936 -6.375 1.00 0.00 C ATOM 0 H ILE A 108 31.372 -17.631 -8.995 1.00 0.00 H new ATOM 0 HA ILE A 108 33.497 -19.089 -7.799 1.00 0.00 H new ATOM 0 HB ILE A 108 31.621 -19.911 -6.323 1.00 0.00 H new ATOM 0 HG12 ILE A 108 29.961 -18.150 -8.186 1.00 0.00 H new ATOM 0 HG13 ILE A 108 29.882 -19.900 -8.136 1.00 0.00 H new ATOM 0 HG21 ILE A 108 31.118 -17.664 -5.410 1.00 0.00 H new ATOM 0 HG22 ILE A 108 32.833 -17.798 -5.867 1.00 0.00 H new ATOM 0 HG23 ILE A 108 31.697 -16.920 -6.919 1.00 0.00 H new ATOM 0 HD11 ILE A 108 28.077 -18.901 -6.768 1.00 0.00 H new ATOM 0 HD12 ILE A 108 29.207 -19.814 -5.739 1.00 0.00 H new ATOM 0 HD13 ILE A 108 29.287 -18.037 -5.790 1.00 0.00 H new ATOM 1674 N ILE A 109 31.393 -20.768 -9.681 1.00 0.00 N ATOM 1675 CA ILE A 109 31.200 -22.050 -10.346 1.00 0.00 C ATOM 1676 C ILE A 109 32.415 -22.397 -11.198 1.00 0.00 C ATOM 1677 O ILE A 109 32.877 -23.538 -11.201 1.00 0.00 O ATOM 1678 CB ILE A 109 29.937 -22.012 -11.221 1.00 0.00 C ATOM 1679 CG1 ILE A 109 28.692 -21.997 -10.328 1.00 0.00 C ATOM 1680 CG2 ILE A 109 29.893 -23.233 -12.143 1.00 0.00 C ATOM 1681 CD1 ILE A 109 27.458 -21.694 -11.178 1.00 0.00 C ATOM 0 H ILE A 109 30.730 -20.042 -9.953 1.00 0.00 H new ATOM 0 HA ILE A 109 31.077 -22.819 -9.583 1.00 0.00 H new ATOM 0 HB ILE A 109 29.959 -21.109 -11.832 1.00 0.00 H new ATOM 0 HG12 ILE A 109 28.577 -22.960 -9.831 1.00 0.00 H new ATOM 0 HG13 ILE A 109 28.801 -21.246 -9.546 1.00 0.00 H new ATOM 0 HG21 ILE A 109 28.993 -23.193 -12.757 1.00 0.00 H new ATOM 0 HG22 ILE A 109 30.772 -23.234 -12.787 1.00 0.00 H new ATOM 0 HG23 ILE A 109 29.882 -24.142 -11.542 1.00 0.00 H new ATOM 0 HD11 ILE A 109 26.572 -21.683 -10.543 1.00 0.00 H new ATOM 0 HD12 ILE A 109 27.575 -20.721 -11.655 1.00 0.00 H new ATOM 0 HD13 ILE A 109 27.346 -22.462 -11.944 1.00 0.00 H new ATOM 1693 N ILE A 110 32.920 -21.413 -11.925 1.00 0.00 N ATOM 1694 CA ILE A 110 34.072 -21.636 -12.785 1.00 0.00 C ATOM 1695 C ILE A 110 35.286 -22.022 -11.953 1.00 0.00 C ATOM 1696 O ILE A 110 36.038 -22.923 -12.320 1.00 0.00 O ATOM 1697 CB ILE A 110 34.375 -20.366 -13.596 1.00 0.00 C ATOM 1698 CG1 ILE A 110 33.234 -20.112 -14.612 1.00 0.00 C ATOM 1699 CG2 ILE A 110 35.715 -20.526 -14.336 1.00 0.00 C ATOM 1700 CD1 ILE A 110 33.469 -20.906 -15.908 1.00 0.00 C ATOM 0 H ILE A 110 32.555 -20.461 -11.938 1.00 0.00 H new ATOM 0 HA ILE A 110 33.844 -22.452 -13.471 1.00 0.00 H new ATOM 0 HB ILE A 110 34.445 -19.515 -12.919 1.00 0.00 H new ATOM 0 HG12 ILE A 110 32.279 -20.400 -14.172 1.00 0.00 H new ATOM 0 HG13 ILE A 110 33.173 -19.048 -14.838 1.00 0.00 H new ATOM 0 HG21 ILE A 110 35.924 -19.623 -14.909 1.00 0.00 H new ATOM 0 HG22 ILE A 110 36.513 -20.690 -13.612 1.00 0.00 H new ATOM 0 HG23 ILE A 110 35.658 -21.379 -15.012 1.00 0.00 H new ATOM 0 HD11 ILE A 110 32.655 -20.712 -16.606 1.00 0.00 H new ATOM 0 HD12 ILE A 110 34.413 -20.598 -16.357 1.00 0.00 H new ATOM 0 HD13 ILE A 110 33.505 -21.971 -15.680 1.00 0.00 H new ATOM 1712 N ILE A 111 35.479 -21.332 -10.841 1.00 0.00 N ATOM 1713 CA ILE A 111 36.617 -21.614 -9.981 1.00 0.00 C ATOM 1714 C ILE A 111 36.536 -23.035 -9.438 1.00 0.00 C ATOM 1715 O ILE A 111 37.529 -23.760 -9.420 1.00 0.00 O ATOM 1716 CB ILE A 111 36.646 -20.612 -8.816 1.00 0.00 C ATOM 1717 CG1 ILE A 111 36.991 -19.199 -9.341 1.00 0.00 C ATOM 1718 CG2 ILE A 111 37.682 -21.054 -7.768 1.00 0.00 C ATOM 1719 CD1 ILE A 111 38.514 -19.017 -9.454 1.00 0.00 C ATOM 0 H ILE A 111 34.871 -20.581 -10.515 1.00 0.00 H new ATOM 0 HA ILE A 111 37.531 -21.517 -10.566 1.00 0.00 H new ATOM 0 HB ILE A 111 35.662 -20.583 -8.349 1.00 0.00 H new ATOM 0 HG12 ILE A 111 36.528 -19.045 -10.316 1.00 0.00 H new ATOM 0 HG13 ILE A 111 36.579 -18.446 -8.670 1.00 0.00 H new ATOM 0 HG21 ILE A 111 37.696 -20.338 -6.946 1.00 0.00 H new ATOM 0 HG22 ILE A 111 37.416 -22.040 -7.386 1.00 0.00 H new ATOM 0 HG23 ILE A 111 38.669 -21.097 -8.228 1.00 0.00 H new ATOM 0 HD11 ILE A 111 38.734 -18.016 -9.825 1.00 0.00 H new ATOM 0 HD12 ILE A 111 38.970 -19.149 -8.473 1.00 0.00 H new ATOM 0 HD13 ILE A 111 38.919 -19.757 -10.144 1.00 0.00 H new ATOM 1731 N VAL A 112 35.350 -23.428 -8.998 1.00 0.00 N ATOM 1732 CA VAL A 112 35.154 -24.762 -8.461 1.00 0.00 C ATOM 1733 C VAL A 112 35.308 -25.800 -9.563 1.00 0.00 C ATOM 1734 O VAL A 112 35.928 -26.846 -9.366 1.00 0.00 O ATOM 1735 CB VAL A 112 33.766 -24.872 -7.825 1.00 0.00 C ATOM 1736 CG1 VAL A 112 33.505 -26.321 -7.406 1.00 0.00 C ATOM 1737 CG2 VAL A 112 33.703 -23.963 -6.592 1.00 0.00 C ATOM 0 H VAL A 112 34.514 -22.844 -9.003 1.00 0.00 H new ATOM 0 HA VAL A 112 35.909 -24.948 -7.697 1.00 0.00 H new ATOM 0 HB VAL A 112 33.009 -24.565 -8.547 1.00 0.00 H new ATOM 0 HG11 VAL A 112 32.516 -26.396 -6.954 1.00 0.00 H new ATOM 0 HG12 VAL A 112 33.553 -26.967 -8.282 1.00 0.00 H new ATOM 0 HG13 VAL A 112 34.259 -26.632 -6.683 1.00 0.00 H new ATOM 0 HG21 VAL A 112 32.716 -24.038 -6.135 1.00 0.00 H new ATOM 0 HG22 VAL A 112 34.461 -24.273 -5.872 1.00 0.00 H new ATOM 0 HG23 VAL A 112 33.887 -22.931 -6.891 1.00 0.00 H new ATOM 1747 N TYR A 113 34.728 -25.508 -10.719 1.00 0.00 N ATOM 1748 CA TYR A 113 34.791 -26.428 -11.845 1.00 0.00 C ATOM 1749 C TYR A 113 36.234 -26.677 -12.259 1.00 0.00 C ATOM 1750 O TYR A 113 36.621 -27.807 -12.563 1.00 0.00 O ATOM 1751 CB TYR A 113 33.999 -25.869 -13.032 1.00 0.00 C ATOM 1752 CG TYR A 113 34.135 -26.801 -14.215 1.00 0.00 C ATOM 1753 CD1 TYR A 113 33.394 -27.988 -14.258 1.00 0.00 C ATOM 1754 CD2 TYR A 113 34.997 -26.475 -15.269 1.00 0.00 C ATOM 1755 CE1 TYR A 113 33.519 -28.852 -15.353 1.00 0.00 C ATOM 1756 CE2 TYR A 113 35.122 -27.339 -16.364 1.00 0.00 C ATOM 1757 CZ TYR A 113 34.381 -28.527 -16.406 1.00 0.00 C ATOM 1758 OH TYR A 113 34.504 -29.377 -17.486 1.00 0.00 O ATOM 0 H TYR A 113 34.212 -24.647 -10.901 1.00 0.00 H new ATOM 0 HA TYR A 113 34.350 -27.375 -11.535 1.00 0.00 H new ATOM 0 HB2 TYR A 113 32.949 -25.758 -12.762 1.00 0.00 H new ATOM 0 HB3 TYR A 113 34.367 -24.877 -13.293 1.00 0.00 H new ATOM 0 HD1 TYR A 113 32.726 -28.237 -13.447 1.00 0.00 H new ATOM 0 HD2 TYR A 113 35.565 -25.557 -15.238 1.00 0.00 H new ATOM 0 HE1 TYR A 113 32.950 -29.769 -15.385 1.00 0.00 H new ATOM 0 HE2 TYR A 113 35.789 -27.090 -17.176 1.00 0.00 H new ATOM 0 HH TYR A 113 35.142 -29.001 -18.127 1.00 0.00 H new ATOM 1768 N PHE A 114 37.021 -25.618 -12.269 1.00 0.00 N ATOM 1769 CA PHE A 114 38.424 -25.719 -12.650 1.00 0.00 C ATOM 1770 C PHE A 114 39.167 -26.673 -11.723 1.00 0.00 C ATOM 1771 O PHE A 114 39.949 -27.513 -12.171 1.00 0.00 O ATOM 1772 CB PHE A 114 39.086 -24.338 -12.604 1.00 0.00 C ATOM 1773 CG PHE A 114 40.529 -24.455 -13.036 1.00 0.00 C ATOM 1774 CD1 PHE A 114 40.856 -24.458 -14.398 1.00 0.00 C ATOM 1775 CD2 PHE A 114 41.540 -24.561 -12.073 1.00 0.00 C ATOM 1776 CE1 PHE A 114 42.195 -24.568 -14.797 1.00 0.00 C ATOM 1777 CE2 PHE A 114 42.878 -24.671 -12.472 1.00 0.00 C ATOM 1778 CZ PHE A 114 43.205 -24.674 -13.834 1.00 0.00 C ATOM 0 H PHE A 114 36.717 -24.677 -12.019 1.00 0.00 H new ATOM 0 HA PHE A 114 38.473 -26.108 -13.667 1.00 0.00 H new ATOM 0 HB2 PHE A 114 38.555 -23.647 -13.258 1.00 0.00 H new ATOM 0 HB3 PHE A 114 39.030 -23.930 -11.595 1.00 0.00 H new ATOM 0 HD1 PHE A 114 40.076 -24.376 -15.141 1.00 0.00 H new ATOM 0 HD2 PHE A 114 41.288 -24.558 -11.023 1.00 0.00 H new ATOM 0 HE1 PHE A 114 42.447 -24.571 -15.847 1.00 0.00 H new ATOM 0 HE2 PHE A 114 43.658 -24.754 -11.729 1.00 0.00 H new ATOM 0 HZ PHE A 114 44.237 -24.758 -14.141 1.00 0.00 H new ATOM 1788 N SER A 115 38.914 -26.536 -10.431 1.00 0.00 N ATOM 1789 CA SER A 115 39.556 -27.382 -9.437 1.00 0.00 C ATOM 1790 C SER A 115 39.049 -28.810 -9.544 1.00 0.00 C ATOM 1791 O SER A 115 39.790 -29.765 -9.307 1.00 0.00 O ATOM 1792 CB SER A 115 39.302 -26.840 -8.028 1.00 0.00 C ATOM 1793 OG SER A 115 39.678 -25.469 -7.977 1.00 0.00 O ATOM 0 H SER A 115 38.268 -25.847 -10.046 1.00 0.00 H new ATOM 0 HA SER A 115 40.629 -27.377 -9.627 1.00 0.00 H new ATOM 0 HB2 SER A 115 38.249 -26.950 -7.768 1.00 0.00 H new ATOM 0 HB3 SER A 115 39.873 -27.413 -7.297 1.00 0.00 H new ATOM 0 HG SER A 115 39.009 -24.929 -8.448 1.00 0.00 H new ATOM 1799 N THR A 116 37.780 -28.945 -9.892 1.00 0.00 N ATOM 1800 CA THR A 116 37.171 -30.260 -10.026 1.00 0.00 C ATOM 1801 C THR A 116 38.071 -31.191 -10.832 1.00 0.00 C ATOM 1802 O THR A 116 38.290 -30.908 -11.998 1.00 0.00 O ATOM 1803 CB THR A 116 35.810 -30.141 -10.713 1.00 0.00 C ATOM 1804 OG1 THR A 116 35.068 -29.088 -10.114 1.00 0.00 O ATOM 1805 CG2 THR A 116 35.046 -31.453 -10.559 1.00 0.00 C ATOM 1806 OXT THR A 116 38.527 -32.174 -10.272 1.00 0.00 O ATOM 0 H THR A 116 37.153 -28.164 -10.086 1.00 0.00 H new ATOM 0 HA THR A 116 37.037 -30.678 -9.028 1.00 0.00 H new ATOM 0 HB THR A 116 35.955 -29.927 -11.772 1.00 0.00 H new ATOM 0 HG1 THR A 116 35.673 -28.510 -9.604 1.00 0.00 H new ATOM 0 HG21 THR A 116 34.076 -31.369 -11.049 1.00 0.00 H new ATOM 0 HG22 THR A 116 35.615 -32.261 -11.018 1.00 0.00 H new ATOM 0 HG23 THR A 116 34.901 -31.667 -9.500 1.00 0.00 H new