USER MOD reduce.3.24.130724 H: found=0, std=0, add=416, rem=0, adj=9 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=-0.00574 K(o=-0.0057,f=-0.89) USER MOD Single : A 46 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 49 ASN : amide:sc= 0 K(o=0,f=-0.81) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 THR OG1 : rot -41:sc= 0.153 USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 83 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0266) USER MOD Single : A 85 LYS NZ :NH3+ -138:sc= -0.0595 (180deg=-0.525) USER MOD Single : A 94 LYS NZ :NH3+ -166:sc= 0 (180deg=-0.114) USER MOD Single : A 95 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 96 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 103 CYS SG : rot 68:sc= 0.385 USER MOD Single : A 113 TYR OH : rot 180:sc= 0 USER MOD Single : A 115 SER OG : rot 180:sc= 0 USER MOD Single : A 116 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 505 N GLN A 38 52.728 12.315 19.898 1.00 0.00 N ATOM 506 CA GLN A 38 51.297 12.081 19.727 1.00 0.00 C ATOM 507 C GLN A 38 50.538 13.402 19.651 1.00 0.00 C ATOM 508 O GLN A 38 49.639 13.564 18.824 1.00 0.00 O ATOM 509 CB GLN A 38 50.761 11.255 20.898 1.00 0.00 C ATOM 510 CG GLN A 38 51.388 9.861 20.867 1.00 0.00 C ATOM 511 CD GLN A 38 50.942 9.061 22.085 1.00 0.00 C ATOM 512 OE1 GLN A 38 50.784 9.619 23.171 1.00 0.00 O ATOM 513 NE2 GLN A 38 50.727 7.779 21.971 1.00 0.00 N ATOM 0 HA GLN A 38 51.149 11.536 18.795 1.00 0.00 H new ATOM 0 HB2 GLN A 38 50.993 11.749 21.842 1.00 0.00 H new ATOM 0 HB3 GLN A 38 49.675 11.179 20.836 1.00 0.00 H new ATOM 0 HG2 GLN A 38 51.096 9.342 19.954 1.00 0.00 H new ATOM 0 HG3 GLN A 38 52.475 9.942 20.853 1.00 0.00 H new ATOM 0 HE21 GLN A 38 50.858 7.318 21.071 1.00 0.00 H new ATOM 0 HE22 GLN A 38 50.428 7.238 22.782 1.00 0.00 H new ATOM 522 N VAL A 39 50.905 14.343 20.514 1.00 0.00 N ATOM 523 CA VAL A 39 50.253 15.649 20.536 1.00 0.00 C ATOM 524 C VAL A 39 50.830 16.556 19.454 1.00 0.00 C ATOM 525 O VAL A 39 50.271 17.609 19.149 1.00 0.00 O ATOM 526 CB VAL A 39 50.437 16.303 21.908 1.00 0.00 C ATOM 527 CG1 VAL A 39 49.669 15.500 22.961 1.00 0.00 C ATOM 528 CG2 VAL A 39 51.923 16.318 22.270 1.00 0.00 C ATOM 0 H VAL A 39 51.647 14.228 21.205 1.00 0.00 H new ATOM 0 HA VAL A 39 49.190 15.506 20.343 1.00 0.00 H new ATOM 0 HB VAL A 39 50.058 17.324 21.877 1.00 0.00 H new ATOM 0 HG11 VAL A 39 49.799 15.964 23.939 1.00 0.00 H new ATOM 0 HG12 VAL A 39 48.610 15.484 22.705 1.00 0.00 H new ATOM 0 HG13 VAL A 39 50.051 14.480 22.990 1.00 0.00 H new ATOM 0 HG21 VAL A 39 52.055 16.784 23.247 1.00 0.00 H new ATOM 0 HG22 VAL A 39 52.300 15.296 22.301 1.00 0.00 H new ATOM 0 HG23 VAL A 39 52.474 16.885 21.520 1.00 0.00 H new ATOM 538 N ASP A 40 51.954 16.140 18.878 1.00 0.00 N ATOM 539 CA ASP A 40 52.600 16.923 17.832 1.00 0.00 C ATOM 540 C ASP A 40 51.693 17.035 16.609 1.00 0.00 C ATOM 541 O ASP A 40 51.636 18.081 15.961 1.00 0.00 O ATOM 542 CB ASP A 40 53.924 16.269 17.430 1.00 0.00 C ATOM 543 CG ASP A 40 54.634 17.124 16.388 1.00 0.00 C ATOM 544 OD1 ASP A 40 54.034 18.080 15.925 1.00 0.00 O ATOM 545 OD2 ASP A 40 55.770 16.813 16.072 1.00 0.00 O ATOM 0 H ASP A 40 52.433 15.271 19.116 1.00 0.00 H new ATOM 0 HA ASP A 40 52.793 17.923 18.220 1.00 0.00 H new ATOM 0 HB2 ASP A 40 54.560 16.148 18.307 1.00 0.00 H new ATOM 0 HB3 ASP A 40 53.740 15.272 17.030 1.00 0.00 H new ATOM 550 N GLU A 41 50.986 15.953 16.302 1.00 0.00 N ATOM 551 CA GLU A 41 50.083 15.941 15.155 1.00 0.00 C ATOM 552 C GLU A 41 48.929 16.914 15.373 1.00 0.00 C ATOM 553 O GLU A 41 48.466 17.563 14.437 1.00 0.00 O ATOM 554 CB GLU A 41 49.536 14.529 14.938 1.00 0.00 C ATOM 555 CG GLU A 41 50.667 13.609 14.474 1.00 0.00 C ATOM 556 CD GLU A 41 50.162 12.175 14.367 1.00 0.00 C ATOM 557 OE1 GLU A 41 48.982 11.964 14.592 1.00 0.00 O ATOM 558 OE2 GLU A 41 50.964 11.307 14.061 1.00 0.00 O ATOM 0 H GLU A 41 51.019 15.079 16.826 1.00 0.00 H new ATOM 0 HA GLU A 41 50.640 16.252 14.271 1.00 0.00 H new ATOM 0 HB2 GLU A 41 49.101 14.150 15.863 1.00 0.00 H new ATOM 0 HB3 GLU A 41 48.739 14.547 14.195 1.00 0.00 H new ATOM 0 HG2 GLU A 41 51.045 13.943 13.508 1.00 0.00 H new ATOM 0 HG3 GLU A 41 51.499 13.659 15.177 1.00 0.00 H new ATOM 565 N VAL A 42 48.468 17.008 16.614 1.00 0.00 N ATOM 566 CA VAL A 42 47.367 17.903 16.945 1.00 0.00 C ATOM 567 C VAL A 42 47.780 19.356 16.746 1.00 0.00 C ATOM 568 O VAL A 42 47.013 20.162 16.217 1.00 0.00 O ATOM 569 CB VAL A 42 46.929 17.683 18.396 1.00 0.00 C ATOM 570 CG1 VAL A 42 45.823 18.677 18.755 1.00 0.00 C ATOM 571 CG2 VAL A 42 46.405 16.256 18.564 1.00 0.00 C ATOM 0 H VAL A 42 48.837 16.479 17.404 1.00 0.00 H new ATOM 0 HA VAL A 42 46.532 17.682 16.280 1.00 0.00 H new ATOM 0 HB VAL A 42 47.783 17.836 19.056 1.00 0.00 H new ATOM 0 HG11 VAL A 42 45.513 18.519 19.788 1.00 0.00 H new ATOM 0 HG12 VAL A 42 46.197 19.694 18.640 1.00 0.00 H new ATOM 0 HG13 VAL A 42 44.970 18.527 18.093 1.00 0.00 H new ATOM 0 HG21 VAL A 42 46.094 16.102 19.597 1.00 0.00 H new ATOM 0 HG22 VAL A 42 45.553 16.101 17.902 1.00 0.00 H new ATOM 0 HG23 VAL A 42 47.194 15.547 18.313 1.00 0.00 H new ATOM 581 N VAL A 43 48.991 19.685 17.175 1.00 0.00 N ATOM 582 CA VAL A 43 49.492 21.048 17.044 1.00 0.00 C ATOM 583 C VAL A 43 49.540 21.455 15.574 1.00 0.00 C ATOM 584 O VAL A 43 49.128 22.557 15.213 1.00 0.00 O ATOM 585 CB VAL A 43 50.896 21.147 17.649 1.00 0.00 C ATOM 586 CG1 VAL A 43 51.474 22.539 17.383 1.00 0.00 C ATOM 587 CG2 VAL A 43 50.818 20.907 19.158 1.00 0.00 C ATOM 0 H VAL A 43 49.641 19.033 17.614 1.00 0.00 H new ATOM 0 HA VAL A 43 48.819 21.720 17.577 1.00 0.00 H new ATOM 0 HB VAL A 43 51.540 20.395 17.193 1.00 0.00 H new ATOM 0 HG11 VAL A 43 52.473 22.607 17.814 1.00 0.00 H new ATOM 0 HG12 VAL A 43 51.531 22.710 16.308 1.00 0.00 H new ATOM 0 HG13 VAL A 43 50.831 23.293 17.837 1.00 0.00 H new ATOM 0 HG21 VAL A 43 51.816 20.977 19.590 1.00 0.00 H new ATOM 0 HG22 VAL A 43 50.172 21.658 19.613 1.00 0.00 H new ATOM 0 HG23 VAL A 43 50.410 19.914 19.348 1.00 0.00 H new ATOM 597 N ASP A 44 50.044 20.560 14.731 1.00 0.00 N ATOM 598 CA ASP A 44 50.135 20.842 13.305 1.00 0.00 C ATOM 599 C ASP A 44 48.751 21.090 12.719 1.00 0.00 C ATOM 600 O ASP A 44 48.560 22.022 11.941 1.00 0.00 O ATOM 601 CB ASP A 44 50.792 19.667 12.580 1.00 0.00 C ATOM 602 CG ASP A 44 50.891 19.960 11.086 1.00 0.00 C ATOM 603 OD1 ASP A 44 50.387 20.992 10.670 1.00 0.00 O ATOM 604 OD2 ASP A 44 51.472 19.152 10.381 1.00 0.00 O ATOM 0 H ASP A 44 50.392 19.642 15.008 1.00 0.00 H new ATOM 0 HA ASP A 44 50.742 21.738 13.170 1.00 0.00 H new ATOM 0 HB2 ASP A 44 51.786 19.487 12.990 1.00 0.00 H new ATOM 0 HB3 ASP A 44 50.211 18.759 12.742 1.00 0.00 H new ATOM 609 N ILE A 45 47.788 20.249 13.098 1.00 0.00 N ATOM 610 CA ILE A 45 46.425 20.391 12.596 1.00 0.00 C ATOM 611 C ILE A 45 45.821 21.714 13.064 1.00 0.00 C ATOM 612 O ILE A 45 45.167 22.421 12.296 1.00 0.00 O ATOM 613 CB ILE A 45 45.566 19.225 13.091 1.00 0.00 C ATOM 614 CG1 ILE A 45 46.046 17.929 12.433 1.00 0.00 C ATOM 615 CG2 ILE A 45 44.101 19.471 12.714 1.00 0.00 C ATOM 616 CD1 ILE A 45 45.387 16.735 13.125 1.00 0.00 C ATOM 0 H ILE A 45 47.926 19.471 13.744 1.00 0.00 H new ATOM 0 HA ILE A 45 46.450 20.383 11.506 1.00 0.00 H new ATOM 0 HB ILE A 45 45.654 19.143 14.174 1.00 0.00 H new ATOM 0 HG12 ILE A 45 45.796 17.932 11.372 1.00 0.00 H new ATOM 0 HG13 ILE A 45 47.131 17.852 12.504 1.00 0.00 H new ATOM 0 HG21 ILE A 45 43.490 18.640 13.067 1.00 0.00 H new ATOM 0 HG22 ILE A 45 43.757 20.396 13.176 1.00 0.00 H new ATOM 0 HG23 ILE A 45 44.013 19.552 11.631 1.00 0.00 H new ATOM 0 HD11 ILE A 45 45.727 15.811 12.658 1.00 0.00 H new ATOM 0 HD12 ILE A 45 45.660 16.730 14.180 1.00 0.00 H new ATOM 0 HD13 ILE A 45 44.304 16.812 13.030 1.00 0.00 H new ATOM 628 N MET A 46 46.040 22.036 14.332 1.00 0.00 N ATOM 629 CA MET A 46 45.516 23.271 14.900 1.00 0.00 C ATOM 630 C MET A 46 46.160 24.482 14.240 1.00 0.00 C ATOM 631 O MET A 46 45.503 25.498 14.006 1.00 0.00 O ATOM 632 CB MET A 46 45.772 23.312 16.406 1.00 0.00 C ATOM 633 CG MET A 46 45.154 24.582 17.000 1.00 0.00 C ATOM 634 SD MET A 46 45.355 24.570 18.797 1.00 0.00 S ATOM 635 CE MET A 46 46.993 25.338 18.849 1.00 0.00 C ATOM 0 H MET A 46 46.574 21.462 14.984 1.00 0.00 H new ATOM 0 HA MET A 46 44.442 23.300 14.717 1.00 0.00 H new ATOM 0 HB2 MET A 46 45.343 22.430 16.882 1.00 0.00 H new ATOM 0 HB3 MET A 46 46.844 23.291 16.603 1.00 0.00 H new ATOM 0 HG2 MET A 46 45.633 25.464 16.576 1.00 0.00 H new ATOM 0 HG3 MET A 46 44.096 24.639 16.742 1.00 0.00 H new ATOM 0 HE1 MET A 46 47.319 25.430 19.885 1.00 0.00 H new ATOM 0 HE2 MET A 46 47.702 24.720 18.299 1.00 0.00 H new ATOM 0 HE3 MET A 46 46.945 26.328 18.394 1.00 0.00 H new ATOM 645 N ARG A 47 47.450 24.376 13.954 1.00 0.00 N ATOM 646 CA ARG A 47 48.167 25.481 13.339 1.00 0.00 C ATOM 647 C ARG A 47 47.529 25.877 12.011 1.00 0.00 C ATOM 648 O ARG A 47 47.288 27.058 11.755 1.00 0.00 O ATOM 649 CB ARG A 47 49.622 25.076 13.102 1.00 0.00 C ATOM 650 CG ARG A 47 50.413 26.257 12.466 1.00 0.00 C ATOM 651 CD ARG A 47 50.691 25.970 10.989 1.00 0.00 C ATOM 652 NE ARG A 47 51.399 27.091 10.388 1.00 0.00 N ATOM 653 CZ ARG A 47 50.741 28.137 9.909 1.00 0.00 C ATOM 654 NH1 ARG A 47 49.436 28.176 9.974 1.00 0.00 N ATOM 655 NH2 ARG A 47 51.397 29.128 9.374 1.00 0.00 N ATOM 0 H ARG A 47 48.015 23.546 14.136 1.00 0.00 H new ATOM 0 HA ARG A 47 48.122 26.337 14.013 1.00 0.00 H new ATOM 0 HB2 ARG A 47 50.084 24.785 14.045 1.00 0.00 H new ATOM 0 HB3 ARG A 47 49.663 24.207 12.446 1.00 0.00 H new ATOM 0 HG2 ARG A 47 49.843 27.181 12.564 1.00 0.00 H new ATOM 0 HG3 ARG A 47 51.352 26.404 12.999 1.00 0.00 H new ATOM 0 HD2 ARG A 47 51.284 25.061 10.892 1.00 0.00 H new ATOM 0 HD3 ARG A 47 49.753 25.796 10.461 1.00 0.00 H new ATOM 0 HE ARG A 47 52.417 27.071 10.335 1.00 0.00 H new ATOM 0 HH11 ARG A 47 48.923 27.401 10.394 1.00 0.00 H new ATOM 0 HH12 ARG A 47 48.931 28.982 9.605 1.00 0.00 H new ATOM 0 HH21 ARG A 47 52.415 29.098 9.324 1.00 0.00 H new ATOM 0 HH22 ARG A 47 50.892 29.934 9.005 1.00 0.00 H new ATOM 669 N VAL A 48 47.250 24.887 11.170 1.00 0.00 N ATOM 670 CA VAL A 48 46.629 25.143 9.880 1.00 0.00 C ATOM 671 C VAL A 48 45.157 25.503 10.051 1.00 0.00 C ATOM 672 O VAL A 48 44.574 26.193 9.215 1.00 0.00 O ATOM 673 CB VAL A 48 46.763 23.911 8.981 1.00 0.00 C ATOM 674 CG1 VAL A 48 46.151 22.698 9.680 1.00 0.00 C ATOM 675 CG2 VAL A 48 46.029 24.160 7.664 1.00 0.00 C ATOM 0 H VAL A 48 47.444 23.904 11.359 1.00 0.00 H new ATOM 0 HA VAL A 48 47.139 25.986 9.414 1.00 0.00 H new ATOM 0 HB VAL A 48 47.818 23.722 8.782 1.00 0.00 H new ATOM 0 HG11 VAL A 48 46.247 21.822 9.039 1.00 0.00 H new ATOM 0 HG12 VAL A 48 46.672 22.519 10.620 1.00 0.00 H new ATOM 0 HG13 VAL A 48 45.096 22.887 9.880 1.00 0.00 H new ATOM 0 HG21 VAL A 48 46.124 23.283 7.023 1.00 0.00 H new ATOM 0 HG22 VAL A 48 44.975 24.350 7.865 1.00 0.00 H new ATOM 0 HG23 VAL A 48 46.464 25.025 7.163 1.00 0.00 H new ATOM 685 N ASN A 49 44.564 25.023 11.139 1.00 0.00 N ATOM 686 CA ASN A 49 43.159 25.288 11.414 1.00 0.00 C ATOM 687 C ASN A 49 42.927 26.785 11.582 1.00 0.00 C ATOM 688 O ASN A 49 41.885 27.309 11.195 1.00 0.00 O ATOM 689 CB ASN A 49 42.721 24.548 12.680 1.00 0.00 C ATOM 690 CG ASN A 49 41.225 24.746 12.906 1.00 0.00 C ATOM 691 OD1 ASN A 49 40.449 24.767 11.951 1.00 0.00 O ATOM 692 ND2 ASN A 49 40.771 24.892 14.121 1.00 0.00 N ATOM 0 H ASN A 49 45.033 24.451 11.841 1.00 0.00 H new ATOM 0 HA ASN A 49 42.566 24.932 10.571 1.00 0.00 H new ATOM 0 HB2 ASN A 49 42.946 23.486 12.587 1.00 0.00 H new ATOM 0 HB3 ASN A 49 43.280 24.918 13.540 1.00 0.00 H new ATOM 0 HD21 ASN A 49 39.772 25.024 14.280 1.00 0.00 H new ATOM 0 HD22 ASN A 49 41.415 24.874 14.912 1.00 0.00 H new ATOM 699 N VAL A 50 43.900 27.464 12.171 1.00 0.00 N ATOM 700 CA VAL A 50 43.789 28.902 12.392 1.00 0.00 C ATOM 701 C VAL A 50 43.725 29.652 11.067 1.00 0.00 C ATOM 702 O VAL A 50 42.944 30.588 10.909 1.00 0.00 O ATOM 703 CB VAL A 50 44.978 29.404 13.215 1.00 0.00 C ATOM 704 CG1 VAL A 50 44.912 30.927 13.336 1.00 0.00 C ATOM 705 CG2 VAL A 50 44.925 28.780 14.613 1.00 0.00 C ATOM 0 H VAL A 50 44.770 27.048 12.503 1.00 0.00 H new ATOM 0 HA VAL A 50 42.867 29.090 12.942 1.00 0.00 H new ATOM 0 HB VAL A 50 45.907 29.121 12.721 1.00 0.00 H new ATOM 0 HG11 VAL A 50 45.759 31.282 13.922 1.00 0.00 H new ATOM 0 HG12 VAL A 50 44.946 31.373 12.342 1.00 0.00 H new ATOM 0 HG13 VAL A 50 43.983 31.213 13.830 1.00 0.00 H new ATOM 0 HG21 VAL A 50 45.770 29.135 15.202 1.00 0.00 H new ATOM 0 HG22 VAL A 50 43.995 29.066 15.104 1.00 0.00 H new ATOM 0 HG23 VAL A 50 44.972 27.694 14.529 1.00 0.00 H new ATOM 715 N ASP A 51 44.556 29.235 10.135 1.00 0.00 N ATOM 716 CA ASP A 51 44.602 29.873 8.819 1.00 0.00 C ATOM 717 C ASP A 51 43.293 29.656 8.062 1.00 0.00 C ATOM 718 O ASP A 51 43.039 30.300 7.043 1.00 0.00 O ATOM 719 CB ASP A 51 45.762 29.302 7.997 1.00 0.00 C ATOM 720 CG ASP A 51 47.093 29.777 8.571 1.00 0.00 C ATOM 721 OD1 ASP A 51 47.069 30.624 9.447 1.00 0.00 O ATOM 722 OD2 ASP A 51 48.116 29.286 8.122 1.00 0.00 O ATOM 0 H ASP A 51 45.210 28.461 10.255 1.00 0.00 H new ATOM 0 HA ASP A 51 44.750 30.943 8.968 1.00 0.00 H new ATOM 0 HB2 ASP A 51 45.722 28.213 8.004 1.00 0.00 H new ATOM 0 HB3 ASP A 51 45.672 29.618 6.958 1.00 0.00 H new ATOM 727 N LYS A 52 42.470 28.747 8.568 1.00 0.00 N ATOM 728 CA LYS A 52 41.190 28.447 7.941 1.00 0.00 C ATOM 729 C LYS A 52 40.263 29.653 8.026 1.00 0.00 C ATOM 730 O LYS A 52 39.348 29.803 7.215 1.00 0.00 O ATOM 731 CB LYS A 52 40.535 27.242 8.623 1.00 0.00 C ATOM 732 CG LYS A 52 39.326 26.789 7.806 1.00 0.00 C ATOM 733 CD LYS A 52 38.727 25.533 8.439 1.00 0.00 C ATOM 734 CE LYS A 52 37.532 25.062 7.610 1.00 0.00 C ATOM 735 NZ LYS A 52 36.965 23.823 8.213 1.00 0.00 N ATOM 0 H LYS A 52 42.666 28.205 9.410 1.00 0.00 H new ATOM 0 HA LYS A 52 41.367 28.210 6.892 1.00 0.00 H new ATOM 0 HB2 LYS A 52 41.253 26.427 8.713 1.00 0.00 H new ATOM 0 HB3 LYS A 52 40.226 27.507 9.634 1.00 0.00 H new ATOM 0 HG2 LYS A 52 38.580 27.583 7.770 1.00 0.00 H new ATOM 0 HG3 LYS A 52 39.624 26.585 6.778 1.00 0.00 H new ATOM 0 HD2 LYS A 52 39.479 24.746 8.492 1.00 0.00 H new ATOM 0 HD3 LYS A 52 38.413 25.743 9.462 1.00 0.00 H new ATOM 0 HE2 LYS A 52 36.772 25.842 7.573 1.00 0.00 H new ATOM 0 HE3 LYS A 52 37.842 24.870 6.583 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 36.152 23.503 7.649 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 37.692 23.079 8.226 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 36.655 24.021 9.186 1.00 0.00 H new ATOM 1144 N THR A 79 32.314 15.914 -22.500 1.00 0.00 N ATOM 1145 CA THR A 79 31.651 14.729 -23.032 1.00 0.00 C ATOM 1146 C THR A 79 31.446 13.690 -21.934 1.00 0.00 C ATOM 1147 O THR A 79 30.440 12.983 -21.915 1.00 0.00 O ATOM 1148 CB THR A 79 32.488 14.124 -24.161 1.00 0.00 C ATOM 1149 OG1 THR A 79 33.803 13.870 -23.689 1.00 0.00 O ATOM 1150 CG2 THR A 79 32.546 15.100 -25.338 1.00 0.00 C ATOM 0 HA THR A 79 30.677 15.025 -23.421 1.00 0.00 H new ATOM 0 HB THR A 79 32.032 13.190 -24.490 1.00 0.00 H new ATOM 0 HG1 THR A 79 34.100 14.618 -23.130 1.00 0.00 H new ATOM 0 HG21 THR A 79 33.143 14.667 -26.141 1.00 0.00 H new ATOM 0 HG22 THR A 79 31.536 15.294 -25.700 1.00 0.00 H new ATOM 0 HG23 THR A 79 33.000 16.036 -25.013 1.00 0.00 H new ATOM 1158 N SER A 80 32.409 13.606 -21.022 1.00 0.00 N ATOM 1159 CA SER A 80 32.325 12.653 -19.922 1.00 0.00 C ATOM 1160 C SER A 80 31.114 12.949 -19.044 1.00 0.00 C ATOM 1161 O SER A 80 30.451 12.035 -18.555 1.00 0.00 O ATOM 1162 CB SER A 80 33.599 12.712 -19.079 1.00 0.00 C ATOM 1163 OG SER A 80 34.730 12.577 -19.928 1.00 0.00 O ATOM 0 H SER A 80 33.251 14.182 -21.022 1.00 0.00 H new ATOM 0 HA SER A 80 32.216 11.653 -20.342 1.00 0.00 H new ATOM 0 HB2 SER A 80 33.647 13.657 -18.537 1.00 0.00 H new ATOM 0 HB3 SER A 80 33.593 11.917 -18.333 1.00 0.00 H new ATOM 0 HG SER A 80 35.549 12.616 -19.391 1.00 0.00 H new ATOM 1169 N ALA A 81 30.836 14.234 -18.841 1.00 0.00 N ATOM 1170 CA ALA A 81 29.706 14.641 -18.014 1.00 0.00 C ATOM 1171 C ALA A 81 28.398 14.109 -18.591 1.00 0.00 C ATOM 1172 O ALA A 81 27.517 13.668 -17.853 1.00 0.00 O ATOM 1173 CB ALA A 81 29.642 16.166 -17.932 1.00 0.00 C ATOM 0 H ALA A 81 31.374 15.006 -19.235 1.00 0.00 H new ATOM 0 HA ALA A 81 29.845 14.227 -17.015 1.00 0.00 H new ATOM 0 HB1 ALA A 81 28.795 16.462 -17.313 1.00 0.00 H new ATOM 0 HB2 ALA A 81 30.564 16.546 -17.492 1.00 0.00 H new ATOM 0 HB3 ALA A 81 29.521 16.579 -18.933 1.00 0.00 H new ATOM 1179 N ALA A 82 28.276 14.153 -19.914 1.00 0.00 N ATOM 1180 CA ALA A 82 27.069 13.673 -20.576 1.00 0.00 C ATOM 1181 C ALA A 82 26.813 12.212 -20.220 1.00 0.00 C ATOM 1182 O ALA A 82 25.674 11.814 -19.974 1.00 0.00 O ATOM 1183 CB ALA A 82 27.214 13.814 -22.090 1.00 0.00 C ATOM 0 H ALA A 82 28.992 14.513 -20.544 1.00 0.00 H new ATOM 0 HA ALA A 82 26.225 14.273 -20.236 1.00 0.00 H new ATOM 0 HB1 ALA A 82 26.308 13.453 -22.577 1.00 0.00 H new ATOM 0 HB2 ALA A 82 27.370 14.862 -22.344 1.00 0.00 H new ATOM 0 HB3 ALA A 82 28.067 13.227 -22.430 1.00 0.00 H new ATOM 1189 N LYS A 83 27.878 11.417 -20.195 1.00 0.00 N ATOM 1190 CA LYS A 83 27.753 10.004 -19.868 1.00 0.00 C ATOM 1191 C LYS A 83 27.240 9.830 -18.442 1.00 0.00 C ATOM 1192 O LYS A 83 26.380 8.990 -18.179 1.00 0.00 O ATOM 1193 CB LYS A 83 29.111 9.315 -20.015 1.00 0.00 C ATOM 1194 CG LYS A 83 29.512 9.286 -21.490 1.00 0.00 C ATOM 1195 CD LYS A 83 30.874 8.606 -21.638 1.00 0.00 C ATOM 1196 CE LYS A 83 31.256 8.537 -23.120 1.00 0.00 C ATOM 1197 NZ LYS A 83 31.716 9.880 -23.574 1.00 0.00 N ATOM 0 H LYS A 83 28.829 11.725 -20.396 1.00 0.00 H new ATOM 0 HA LYS A 83 27.040 9.549 -20.555 1.00 0.00 H new ATOM 0 HB2 LYS A 83 29.865 9.845 -19.433 1.00 0.00 H new ATOM 0 HB3 LYS A 83 29.060 8.300 -19.621 1.00 0.00 H new ATOM 0 HG2 LYS A 83 28.762 8.750 -22.071 1.00 0.00 H new ATOM 0 HG3 LYS A 83 29.556 10.301 -21.885 1.00 0.00 H new ATOM 0 HD2 LYS A 83 31.631 9.160 -21.083 1.00 0.00 H new ATOM 0 HD3 LYS A 83 30.839 7.602 -21.214 1.00 0.00 H new ATOM 0 HE2 LYS A 83 32.045 7.800 -23.270 1.00 0.00 H new ATOM 0 HE3 LYS A 83 30.401 8.213 -23.713 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 32.087 9.811 -24.543 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 30.917 10.545 -23.556 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 32.466 10.223 -22.940 1.00 0.00 H new ATOM 1211 N LEU A 84 27.775 10.630 -17.525 1.00 0.00 N ATOM 1212 CA LEU A 84 27.367 10.554 -16.127 1.00 0.00 C ATOM 1213 C LEU A 84 25.901 10.932 -15.973 1.00 0.00 C ATOM 1214 O LEU A 84 25.163 10.292 -15.227 1.00 0.00 O ATOM 1215 CB LEU A 84 28.231 11.490 -15.282 1.00 0.00 C ATOM 1216 CG LEU A 84 29.672 10.960 -15.235 1.00 0.00 C ATOM 1217 CD1 LEU A 84 30.584 12.026 -14.615 1.00 0.00 C ATOM 1218 CD2 LEU A 84 29.754 9.656 -14.404 1.00 0.00 C ATOM 0 H LEU A 84 28.487 11.333 -17.723 1.00 0.00 H new ATOM 0 HA LEU A 84 27.500 9.528 -15.785 1.00 0.00 H new ATOM 0 HB2 LEU A 84 28.216 12.495 -15.704 1.00 0.00 H new ATOM 0 HB3 LEU A 84 27.826 11.562 -14.272 1.00 0.00 H new ATOM 0 HG LEU A 84 29.997 10.739 -16.252 1.00 0.00 H new ATOM 0 HD11 LEU A 84 31.608 11.653 -14.580 1.00 0.00 H new ATOM 0 HD12 LEU A 84 30.548 12.932 -15.220 1.00 0.00 H new ATOM 0 HD13 LEU A 84 30.245 12.251 -13.604 1.00 0.00 H new ATOM 0 HD21 LEU A 84 30.784 9.300 -14.386 1.00 0.00 H new ATOM 0 HD22 LEU A 84 29.420 9.852 -13.385 1.00 0.00 H new ATOM 0 HD23 LEU A 84 29.116 8.896 -14.855 1.00 0.00 H new ATOM 1230 N LYS A 85 25.490 11.974 -16.685 1.00 0.00 N ATOM 1231 CA LYS A 85 24.108 12.433 -16.622 1.00 0.00 C ATOM 1232 C LYS A 85 23.157 11.330 -17.061 1.00 0.00 C ATOM 1233 O LYS A 85 22.044 11.214 -16.548 1.00 0.00 O ATOM 1234 CB LYS A 85 23.924 13.662 -17.515 1.00 0.00 C ATOM 1235 CG LYS A 85 24.617 14.869 -16.878 1.00 0.00 C ATOM 1236 CD LYS A 85 24.468 16.086 -17.793 1.00 0.00 C ATOM 1237 CE LYS A 85 25.236 17.267 -17.199 1.00 0.00 C ATOM 1238 NZ LYS A 85 24.673 17.605 -15.861 1.00 0.00 N ATOM 0 H LYS A 85 26.089 12.514 -17.309 1.00 0.00 H new ATOM 0 HA LYS A 85 23.880 12.700 -15.590 1.00 0.00 H new ATOM 0 HB2 LYS A 85 24.341 13.471 -18.504 1.00 0.00 H new ATOM 0 HB3 LYS A 85 22.863 13.869 -17.651 1.00 0.00 H new ATOM 0 HG2 LYS A 85 24.180 15.079 -15.902 1.00 0.00 H new ATOM 0 HG3 LYS A 85 25.672 14.651 -16.714 1.00 0.00 H new ATOM 0 HD2 LYS A 85 24.848 15.855 -18.788 1.00 0.00 H new ATOM 0 HD3 LYS A 85 23.415 16.343 -17.906 1.00 0.00 H new ATOM 0 HE2 LYS A 85 26.293 17.018 -17.108 1.00 0.00 H new ATOM 0 HE3 LYS A 85 25.168 18.129 -17.862 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 24.606 18.638 -15.763 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 23.726 17.187 -15.767 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 25.294 17.226 -15.117 1.00 0.00 H new ATOM 1252 N ARG A 86 23.601 10.522 -18.016 1.00 0.00 N ATOM 1253 CA ARG A 86 22.779 9.431 -18.523 1.00 0.00 C ATOM 1254 C ARG A 86 22.391 8.483 -17.397 1.00 0.00 C ATOM 1255 O ARG A 86 21.268 7.992 -17.345 1.00 0.00 O ATOM 1256 CB ARG A 86 23.538 8.660 -19.605 1.00 0.00 C ATOM 1257 CG ARG A 86 22.627 7.585 -20.206 1.00 0.00 C ATOM 1258 CD ARG A 86 23.371 6.854 -21.324 1.00 0.00 C ATOM 1259 NE ARG A 86 22.467 5.944 -22.021 1.00 0.00 N ATOM 1260 CZ ARG A 86 22.879 5.233 -23.063 1.00 0.00 C ATOM 1261 NH1 ARG A 86 24.110 5.342 -23.483 1.00 0.00 N ATOM 1262 NH2 ARG A 86 22.053 4.424 -23.670 1.00 0.00 N ATOM 0 H ARG A 86 24.520 10.601 -18.452 1.00 0.00 H new ATOM 0 HA ARG A 86 21.872 9.857 -18.952 1.00 0.00 H new ATOM 0 HB2 ARG A 86 23.874 9.344 -20.385 1.00 0.00 H new ATOM 0 HB3 ARG A 86 24.429 8.199 -19.180 1.00 0.00 H new ATOM 0 HG2 ARG A 86 22.323 6.878 -19.434 1.00 0.00 H new ATOM 0 HG3 ARG A 86 21.718 8.041 -20.597 1.00 0.00 H new ATOM 0 HD2 ARG A 86 23.785 7.576 -22.028 1.00 0.00 H new ATOM 0 HD3 ARG A 86 24.210 6.297 -20.908 1.00 0.00 H new ATOM 0 HE ARG A 86 21.503 5.853 -21.702 1.00 0.00 H new ATOM 0 HH11 ARG A 86 24.756 5.974 -23.010 1.00 0.00 H new ATOM 0 HH12 ARG A 86 24.426 4.795 -24.284 1.00 0.00 H new ATOM 0 HH21 ARG A 86 21.091 4.338 -23.343 1.00 0.00 H new ATOM 0 HH22 ARG A 86 22.370 3.878 -24.471 1.00 0.00 H new ATOM 1403 N LEU A 93 19.776 1.336 -11.686 1.00 0.00 N ATOM 1404 CA LEU A 93 20.900 0.865 -10.882 1.00 0.00 C ATOM 1405 C LEU A 93 20.573 -0.486 -10.247 1.00 0.00 C ATOM 1406 O LEU A 93 21.455 -1.322 -10.056 1.00 0.00 O ATOM 1407 CB LEU A 93 21.236 1.893 -9.790 1.00 0.00 C ATOM 1408 CG LEU A 93 22.086 3.018 -10.386 1.00 0.00 C ATOM 1409 CD1 LEU A 93 21.296 3.726 -11.491 1.00 0.00 C ATOM 1410 CD2 LEU A 93 22.445 4.020 -9.287 1.00 0.00 C ATOM 0 HA LEU A 93 21.766 0.743 -11.533 1.00 0.00 H new ATOM 0 HB2 LEU A 93 20.318 2.302 -9.367 1.00 0.00 H new ATOM 0 HB3 LEU A 93 21.775 1.410 -8.975 1.00 0.00 H new ATOM 0 HG LEU A 93 23.000 2.600 -10.808 1.00 0.00 H new ATOM 0 HD11 LEU A 93 21.902 4.527 -11.915 1.00 0.00 H new ATOM 0 HD12 LEU A 93 21.042 3.010 -12.273 1.00 0.00 H new ATOM 0 HD13 LEU A 93 20.381 4.146 -11.073 1.00 0.00 H new ATOM 0 HD21 LEU A 93 23.050 4.822 -9.709 1.00 0.00 H new ATOM 0 HD22 LEU A 93 21.532 4.439 -8.864 1.00 0.00 H new ATOM 0 HD23 LEU A 93 23.009 3.514 -8.503 1.00 0.00 H new ATOM 1422 N LYS A 94 19.306 -0.683 -9.914 1.00 0.00 N ATOM 1423 CA LYS A 94 18.878 -1.924 -9.284 1.00 0.00 C ATOM 1424 C LYS A 94 19.197 -3.114 -10.178 1.00 0.00 C ATOM 1425 O LYS A 94 19.625 -4.164 -9.699 1.00 0.00 O ATOM 1426 CB LYS A 94 17.372 -1.874 -9.021 1.00 0.00 C ATOM 1427 CG LYS A 94 17.036 -0.673 -8.125 1.00 0.00 C ATOM 1428 CD LYS A 94 17.675 -0.842 -6.737 1.00 0.00 C ATOM 1429 CE LYS A 94 16.962 0.055 -5.728 1.00 0.00 C ATOM 1430 NZ LYS A 94 17.135 1.479 -6.128 1.00 0.00 N ATOM 0 H LYS A 94 18.560 -0.004 -10.068 1.00 0.00 H new ATOM 0 HA LYS A 94 19.413 -2.039 -8.341 1.00 0.00 H new ATOM 0 HB2 LYS A 94 16.832 -1.797 -9.965 1.00 0.00 H new ATOM 0 HB3 LYS A 94 17.047 -2.798 -8.542 1.00 0.00 H new ATOM 0 HG2 LYS A 94 17.396 0.246 -8.588 1.00 0.00 H new ATOM 0 HG3 LYS A 94 15.955 -0.577 -8.025 1.00 0.00 H new ATOM 0 HD2 LYS A 94 17.611 -1.883 -6.421 1.00 0.00 H new ATOM 0 HD3 LYS A 94 18.734 -0.587 -6.780 1.00 0.00 H new ATOM 0 HE2 LYS A 94 15.902 -0.197 -5.685 1.00 0.00 H new ATOM 0 HE3 LYS A 94 17.368 -0.106 -4.730 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 16.865 2.097 -5.337 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 18.130 1.651 -6.378 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 16.531 1.685 -6.950 1.00 0.00 H new ATOM 1444 N MET A 95 18.991 -2.946 -11.476 1.00 0.00 N ATOM 1445 CA MET A 95 19.270 -4.015 -12.424 1.00 0.00 C ATOM 1446 C MET A 95 20.750 -4.382 -12.394 1.00 0.00 C ATOM 1447 O MET A 95 21.107 -5.560 -12.450 1.00 0.00 O ATOM 1448 CB MET A 95 18.877 -3.578 -13.836 1.00 0.00 C ATOM 1449 CG MET A 95 19.117 -4.735 -14.809 1.00 0.00 C ATOM 1450 SD MET A 95 18.488 -4.294 -16.449 1.00 0.00 S ATOM 1451 CE MET A 95 16.839 -5.016 -16.264 1.00 0.00 C ATOM 0 H MET A 95 18.634 -2.087 -11.895 1.00 0.00 H new ATOM 0 HA MET A 95 18.684 -4.890 -12.141 1.00 0.00 H new ATOM 0 HB2 MET A 95 17.829 -3.280 -13.858 1.00 0.00 H new ATOM 0 HB3 MET A 95 19.462 -2.708 -14.136 1.00 0.00 H new ATOM 0 HG2 MET A 95 20.182 -4.960 -14.866 1.00 0.00 H new ATOM 0 HG3 MET A 95 18.620 -5.635 -14.448 1.00 0.00 H new ATOM 0 HE1 MET A 95 16.267 -4.857 -17.178 1.00 0.00 H new ATOM 0 HE2 MET A 95 16.929 -6.086 -16.074 1.00 0.00 H new ATOM 0 HE3 MET A 95 16.326 -4.541 -15.428 1.00 0.00 H new ATOM 1461 N MET A 96 21.609 -3.372 -12.308 1.00 0.00 N ATOM 1462 CA MET A 96 23.047 -3.607 -12.275 1.00 0.00 C ATOM 1463 C MET A 96 23.432 -4.390 -11.026 1.00 0.00 C ATOM 1464 O MET A 96 24.263 -5.298 -11.081 1.00 0.00 O ATOM 1465 CB MET A 96 23.793 -2.271 -12.291 1.00 0.00 C ATOM 1466 CG MET A 96 23.561 -1.572 -13.632 1.00 0.00 C ATOM 1467 SD MET A 96 24.469 -0.007 -13.663 1.00 0.00 S ATOM 1468 CE MET A 96 23.743 0.650 -15.185 1.00 0.00 C ATOM 0 H MET A 96 21.337 -2.390 -12.260 1.00 0.00 H new ATOM 0 HA MET A 96 23.323 -4.189 -13.155 1.00 0.00 H new ATOM 0 HB2 MET A 96 23.445 -1.638 -11.474 1.00 0.00 H new ATOM 0 HB3 MET A 96 24.859 -2.436 -12.135 1.00 0.00 H new ATOM 0 HG2 MET A 96 23.891 -2.212 -14.450 1.00 0.00 H new ATOM 0 HG3 MET A 96 22.497 -1.390 -13.780 1.00 0.00 H new ATOM 0 HE1 MET A 96 24.170 1.630 -15.398 1.00 0.00 H new ATOM 0 HE2 MET A 96 23.958 -0.027 -16.012 1.00 0.00 H new ATOM 0 HE3 MET A 96 22.664 0.743 -15.063 1.00 0.00 H new ATOM 1478 N ILE A 97 22.823 -4.036 -9.899 1.00 0.00 N ATOM 1479 CA ILE A 97 23.112 -4.716 -8.642 1.00 0.00 C ATOM 1480 C ILE A 97 22.684 -6.179 -8.716 1.00 0.00 C ATOM 1481 O ILE A 97 23.412 -7.072 -8.283 1.00 0.00 O ATOM 1482 CB ILE A 97 22.373 -4.023 -7.492 1.00 0.00 C ATOM 1483 CG1 ILE A 97 22.965 -2.627 -7.279 1.00 0.00 C ATOM 1484 CG2 ILE A 97 22.534 -4.842 -6.207 1.00 0.00 C ATOM 1485 CD1 ILE A 97 22.069 -1.832 -6.326 1.00 0.00 C ATOM 0 H ILE A 97 22.132 -3.289 -9.830 1.00 0.00 H new ATOM 0 HA ILE A 97 24.186 -4.671 -8.463 1.00 0.00 H new ATOM 0 HB ILE A 97 21.315 -3.942 -7.739 1.00 0.00 H new ATOM 0 HG12 ILE A 97 23.971 -2.706 -6.868 1.00 0.00 H new ATOM 0 HG13 ILE A 97 23.050 -2.107 -8.233 1.00 0.00 H new ATOM 0 HG21 ILE A 97 22.007 -4.346 -5.391 1.00 0.00 H new ATOM 0 HG22 ILE A 97 22.117 -5.838 -6.356 1.00 0.00 H new ATOM 0 HG23 ILE A 97 23.592 -4.925 -5.958 1.00 0.00 H new ATOM 0 HD11 ILE A 97 22.490 -0.838 -6.174 1.00 0.00 H new ATOM 0 HD12 ILE A 97 21.071 -1.741 -6.755 1.00 0.00 H new ATOM 0 HD13 ILE A 97 22.006 -2.349 -5.369 1.00 0.00 H new ATOM 1497 N ILE A 98 21.499 -6.417 -9.268 1.00 0.00 N ATOM 1498 CA ILE A 98 20.981 -7.773 -9.388 1.00 0.00 C ATOM 1499 C ILE A 98 21.877 -8.600 -10.303 1.00 0.00 C ATOM 1500 O ILE A 98 22.179 -9.759 -10.009 1.00 0.00 O ATOM 1501 CB ILE A 98 19.556 -7.743 -9.951 1.00 0.00 C ATOM 1502 CG1 ILE A 98 18.621 -7.102 -8.924 1.00 0.00 C ATOM 1503 CG2 ILE A 98 19.085 -9.170 -10.243 1.00 0.00 C ATOM 1504 CD1 ILE A 98 17.269 -6.808 -9.579 1.00 0.00 C ATOM 0 H ILE A 98 20.883 -5.693 -9.637 1.00 0.00 H new ATOM 0 HA ILE A 98 20.966 -8.229 -8.398 1.00 0.00 H new ATOM 0 HB ILE A 98 19.544 -7.163 -10.874 1.00 0.00 H new ATOM 0 HG12 ILE A 98 18.487 -7.769 -8.072 1.00 0.00 H new ATOM 0 HG13 ILE A 98 19.060 -6.181 -8.542 1.00 0.00 H new ATOM 0 HG21 ILE A 98 18.071 -9.144 -10.643 1.00 0.00 H new ATOM 0 HG22 ILE A 98 19.751 -9.631 -10.972 1.00 0.00 H new ATOM 0 HG23 ILE A 98 19.097 -9.753 -9.322 1.00 0.00 H new ATOM 0 HD11 ILE A 98 16.602 -6.351 -8.848 1.00 0.00 H new ATOM 0 HD12 ILE A 98 17.411 -6.125 -10.417 1.00 0.00 H new ATOM 0 HD13 ILE A 98 16.830 -7.738 -9.940 1.00 0.00 H new ATOM 1516 N LEU A 99 22.290 -8.002 -11.410 1.00 0.00 N ATOM 1517 CA LEU A 99 23.141 -8.702 -12.360 1.00 0.00 C ATOM 1518 C LEU A 99 24.460 -9.093 -11.708 1.00 0.00 C ATOM 1519 O LEU A 99 24.964 -10.197 -11.921 1.00 0.00 O ATOM 1520 CB LEU A 99 23.414 -7.812 -13.580 1.00 0.00 C ATOM 1521 CG LEU A 99 24.362 -8.528 -14.560 1.00 0.00 C ATOM 1522 CD1 LEU A 99 23.764 -9.882 -14.985 1.00 0.00 C ATOM 1523 CD2 LEU A 99 24.575 -7.646 -15.794 1.00 0.00 C ATOM 0 H LEU A 99 22.053 -7.045 -11.671 1.00 0.00 H new ATOM 0 HA LEU A 99 22.625 -9.606 -12.682 1.00 0.00 H new ATOM 0 HB2 LEU A 99 22.476 -7.571 -14.081 1.00 0.00 H new ATOM 0 HB3 LEU A 99 23.856 -6.869 -13.259 1.00 0.00 H new ATOM 0 HG LEU A 99 25.318 -8.707 -14.068 1.00 0.00 H new ATOM 0 HD11 LEU A 99 24.443 -10.378 -15.678 1.00 0.00 H new ATOM 0 HD12 LEU A 99 23.621 -10.509 -14.105 1.00 0.00 H new ATOM 0 HD13 LEU A 99 22.803 -9.718 -15.474 1.00 0.00 H new ATOM 0 HD21 LEU A 99 25.246 -8.150 -16.490 1.00 0.00 H new ATOM 0 HD22 LEU A 99 23.617 -7.464 -16.281 1.00 0.00 H new ATOM 0 HD23 LEU A 99 25.014 -6.696 -15.491 1.00 0.00 H new ATOM 1535 N GLY A 100 25.020 -8.184 -10.925 1.00 0.00 N ATOM 1536 CA GLY A 100 26.287 -8.444 -10.259 1.00 0.00 C ATOM 1537 C GLY A 100 26.184 -9.665 -9.355 1.00 0.00 C ATOM 1538 O GLY A 100 27.093 -10.494 -9.309 1.00 0.00 O ATOM 0 H GLY A 100 24.620 -7.265 -10.736 1.00 0.00 H new ATOM 0 HA2 GLY A 100 27.068 -8.602 -11.003 1.00 0.00 H new ATOM 0 HA3 GLY A 100 26.579 -7.574 -9.670 1.00 0.00 H new ATOM 1542 N VAL A 101 25.073 -9.773 -8.639 1.00 0.00 N ATOM 1543 CA VAL A 101 24.868 -10.899 -7.742 1.00 0.00 C ATOM 1544 C VAL A 101 24.814 -12.210 -8.528 1.00 0.00 C ATOM 1545 O VAL A 101 25.455 -13.195 -8.157 1.00 0.00 O ATOM 1546 CB VAL A 101 23.561 -10.715 -6.961 1.00 0.00 C ATOM 1547 CG1 VAL A 101 23.269 -11.969 -6.132 1.00 0.00 C ATOM 1548 CG2 VAL A 101 23.688 -9.509 -6.030 1.00 0.00 C ATOM 0 H VAL A 101 24.307 -9.100 -8.662 1.00 0.00 H new ATOM 0 HA VAL A 101 25.705 -10.941 -7.045 1.00 0.00 H new ATOM 0 HB VAL A 101 22.744 -10.550 -7.664 1.00 0.00 H new ATOM 0 HG11 VAL A 101 22.339 -11.832 -5.580 1.00 0.00 H new ATOM 0 HG12 VAL A 101 23.174 -12.829 -6.795 1.00 0.00 H new ATOM 0 HG13 VAL A 101 24.086 -12.140 -5.431 1.00 0.00 H new ATOM 0 HG21 VAL A 101 22.759 -9.378 -5.475 1.00 0.00 H new ATOM 0 HG22 VAL A 101 24.508 -9.674 -5.331 1.00 0.00 H new ATOM 0 HG23 VAL A 101 23.888 -8.614 -6.619 1.00 0.00 H new ATOM 1558 N ILE A 102 24.043 -12.218 -9.613 1.00 0.00 N ATOM 1559 CA ILE A 102 23.903 -13.421 -10.427 1.00 0.00 C ATOM 1560 C ILE A 102 25.247 -13.822 -11.015 1.00 0.00 C ATOM 1561 O ILE A 102 25.634 -14.989 -10.987 1.00 0.00 O ATOM 1562 CB ILE A 102 22.909 -13.152 -11.557 1.00 0.00 C ATOM 1563 CG1 ILE A 102 21.512 -12.915 -10.962 1.00 0.00 C ATOM 1564 CG2 ILE A 102 22.860 -14.365 -12.493 1.00 0.00 C ATOM 1565 CD1 ILE A 102 20.634 -12.228 -12.003 1.00 0.00 C ATOM 0 H ILE A 102 23.511 -11.414 -9.946 1.00 0.00 H new ATOM 0 HA ILE A 102 23.539 -14.235 -9.800 1.00 0.00 H new ATOM 0 HB ILE A 102 23.224 -12.271 -12.116 1.00 0.00 H new ATOM 0 HG12 ILE A 102 21.066 -13.863 -10.661 1.00 0.00 H new ATOM 0 HG13 ILE A 102 21.585 -12.298 -10.066 1.00 0.00 H new ATOM 0 HG21 ILE A 102 22.152 -14.174 -13.299 1.00 0.00 H new ATOM 0 HG22 ILE A 102 23.850 -14.540 -12.914 1.00 0.00 H new ATOM 0 HG23 ILE A 102 22.543 -15.245 -11.932 1.00 0.00 H new ATOM 0 HD11 ILE A 102 19.641 -12.057 -11.586 1.00 0.00 H new ATOM 0 HD12 ILE A 102 21.080 -11.273 -12.282 1.00 0.00 H new ATOM 0 HD13 ILE A 102 20.553 -12.862 -12.886 1.00 0.00 H new ATOM 1577 N CYS A 103 25.952 -12.840 -11.537 1.00 0.00 N ATOM 1578 CA CYS A 103 27.269 -13.088 -12.129 1.00 0.00 C ATOM 1579 C CYS A 103 28.197 -13.733 -11.103 1.00 0.00 C ATOM 1580 O CYS A 103 29.076 -14.522 -11.454 1.00 0.00 O ATOM 1581 CB CYS A 103 27.893 -11.783 -12.626 1.00 0.00 C ATOM 1582 SG CYS A 103 26.787 -11.025 -13.837 1.00 0.00 S ATOM 0 H CYS A 103 25.647 -11.867 -11.568 1.00 0.00 H new ATOM 0 HA CYS A 103 27.137 -13.763 -12.975 1.00 0.00 H new ATOM 0 HB2 CYS A 103 28.059 -11.103 -11.790 1.00 0.00 H new ATOM 0 HB3 CYS A 103 28.866 -11.979 -13.076 1.00 0.00 H new ATOM 0 HG CYS A 103 25.702 -10.624 -13.243 1.00 0.00 H new ATOM 1588 N ALA A 104 27.997 -13.389 -9.834 1.00 0.00 N ATOM 1589 CA ALA A 104 28.818 -13.937 -8.765 1.00 0.00 C ATOM 1590 C ALA A 104 28.699 -15.453 -8.733 1.00 0.00 C ATOM 1591 O ALA A 104 29.679 -16.157 -8.503 1.00 0.00 O ATOM 1592 CB ALA A 104 28.379 -13.358 -7.417 1.00 0.00 C ATOM 0 H ALA A 104 27.277 -12.737 -9.524 1.00 0.00 H new ATOM 0 HA ALA A 104 29.857 -13.666 -8.951 1.00 0.00 H new ATOM 0 HB1 ALA A 104 28.999 -13.774 -6.623 1.00 0.00 H new ATOM 0 HB2 ALA A 104 28.490 -12.274 -7.433 1.00 0.00 H new ATOM 0 HB3 ALA A 104 27.335 -13.614 -7.234 1.00 0.00 H new ATOM 1598 N ILE A 105 27.490 -15.950 -8.960 1.00 0.00 N ATOM 1599 CA ILE A 105 27.263 -17.396 -8.948 1.00 0.00 C ATOM 1600 C ILE A 105 28.046 -18.070 -10.072 1.00 0.00 C ATOM 1601 O ILE A 105 28.684 -19.098 -9.864 1.00 0.00 O ATOM 1602 CB ILE A 105 25.758 -17.698 -9.098 1.00 0.00 C ATOM 1603 CG1 ILE A 105 25.044 -17.478 -7.755 1.00 0.00 C ATOM 1604 CG2 ILE A 105 25.545 -19.153 -9.551 1.00 0.00 C ATOM 1605 CD1 ILE A 105 25.073 -15.993 -7.392 1.00 0.00 C ATOM 0 H ILE A 105 26.661 -15.387 -9.152 1.00 0.00 H new ATOM 0 HA ILE A 105 27.612 -17.793 -7.995 1.00 0.00 H new ATOM 0 HB ILE A 105 25.344 -17.025 -9.849 1.00 0.00 H new ATOM 0 HG12 ILE A 105 24.013 -17.826 -7.819 1.00 0.00 H new ATOM 0 HG13 ILE A 105 25.530 -18.063 -6.974 1.00 0.00 H new ATOM 0 HG21 ILE A 105 24.478 -19.350 -9.652 1.00 0.00 H new ATOM 0 HG22 ILE A 105 26.036 -19.311 -10.511 1.00 0.00 H new ATOM 0 HG23 ILE A 105 25.970 -19.831 -8.811 1.00 0.00 H new ATOM 0 HD11 ILE A 105 24.566 -15.841 -6.439 1.00 0.00 H new ATOM 0 HD12 ILE A 105 26.107 -15.659 -7.310 1.00 0.00 H new ATOM 0 HD13 ILE A 105 24.567 -15.419 -8.168 1.00 0.00 H new ATOM 1617 N ILE A 106 27.982 -17.485 -11.258 1.00 0.00 N ATOM 1618 CA ILE A 106 28.672 -18.042 -12.415 1.00 0.00 C ATOM 1619 C ILE A 106 30.176 -18.053 -12.182 1.00 0.00 C ATOM 1620 O ILE A 106 30.866 -19.021 -12.514 1.00 0.00 O ATOM 1621 CB ILE A 106 28.349 -17.220 -13.665 1.00 0.00 C ATOM 1622 CG1 ILE A 106 26.871 -17.395 -14.020 1.00 0.00 C ATOM 1623 CG2 ILE A 106 29.210 -17.710 -14.834 1.00 0.00 C ATOM 1624 CD1 ILE A 106 26.481 -16.373 -15.090 1.00 0.00 C ATOM 0 H ILE A 106 27.462 -16.628 -11.446 1.00 0.00 H new ATOM 0 HA ILE A 106 28.331 -19.067 -12.561 1.00 0.00 H new ATOM 0 HB ILE A 106 28.558 -16.168 -13.472 1.00 0.00 H new ATOM 0 HG12 ILE A 106 26.690 -18.406 -14.384 1.00 0.00 H new ATOM 0 HG13 ILE A 106 26.254 -17.261 -13.132 1.00 0.00 H new ATOM 0 HG21 ILE A 106 28.981 -17.125 -15.725 1.00 0.00 H new ATOM 0 HG22 ILE A 106 30.264 -17.592 -14.584 1.00 0.00 H new ATOM 0 HG23 ILE A 106 28.998 -18.762 -15.026 1.00 0.00 H new ATOM 0 HD11 ILE A 106 25.428 -16.496 -15.344 1.00 0.00 H new ATOM 0 HD12 ILE A 106 26.647 -15.366 -14.708 1.00 0.00 H new ATOM 0 HD13 ILE A 106 27.090 -16.528 -15.981 1.00 0.00 H new ATOM 1636 N LEU A 107 30.678 -16.972 -11.617 1.00 0.00 N ATOM 1637 CA LEU A 107 32.099 -16.861 -11.353 1.00 0.00 C ATOM 1638 C LEU A 107 32.585 -18.022 -10.493 1.00 0.00 C ATOM 1639 O LEU A 107 33.673 -18.548 -10.709 1.00 0.00 O ATOM 1640 CB LEU A 107 32.392 -15.541 -10.643 1.00 0.00 C ATOM 1641 CG LEU A 107 33.916 -15.438 -10.307 1.00 0.00 C ATOM 1642 CD1 LEU A 107 34.427 -14.025 -10.601 1.00 0.00 C ATOM 1643 CD2 LEU A 107 34.153 -15.758 -8.819 1.00 0.00 C ATOM 0 H LEU A 107 30.126 -16.162 -11.333 1.00 0.00 H new ATOM 0 HA LEU A 107 32.627 -16.890 -12.306 1.00 0.00 H new ATOM 0 HB2 LEU A 107 32.094 -14.705 -11.276 1.00 0.00 H new ATOM 0 HB3 LEU A 107 31.804 -15.473 -9.727 1.00 0.00 H new ATOM 0 HG LEU A 107 34.454 -16.156 -10.925 1.00 0.00 H new ATOM 0 HD11 LEU A 107 35.489 -13.965 -10.363 1.00 0.00 H new ATOM 0 HD12 LEU A 107 34.278 -13.796 -11.656 1.00 0.00 H new ATOM 0 HD13 LEU A 107 33.878 -13.306 -9.993 1.00 0.00 H new ATOM 0 HD21 LEU A 107 35.217 -15.683 -8.596 1.00 0.00 H new ATOM 0 HD22 LEU A 107 33.602 -15.048 -8.202 1.00 0.00 H new ATOM 0 HD23 LEU A 107 33.807 -16.769 -8.605 1.00 0.00 H new ATOM 1655 N ILE A 108 31.774 -18.419 -9.526 1.00 0.00 N ATOM 1656 CA ILE A 108 32.139 -19.522 -8.645 1.00 0.00 C ATOM 1657 C ILE A 108 32.329 -20.807 -9.451 1.00 0.00 C ATOM 1658 O ILE A 108 33.259 -21.574 -9.202 1.00 0.00 O ATOM 1659 CB ILE A 108 31.046 -19.731 -7.593 1.00 0.00 C ATOM 1660 CG1 ILE A 108 31.021 -18.531 -6.643 1.00 0.00 C ATOM 1661 CG2 ILE A 108 31.333 -21.008 -6.795 1.00 0.00 C ATOM 1662 CD1 ILE A 108 29.780 -18.606 -5.750 1.00 0.00 C ATOM 0 H ILE A 108 30.865 -17.999 -9.330 1.00 0.00 H new ATOM 0 HA ILE A 108 33.077 -19.276 -8.148 1.00 0.00 H new ATOM 0 HB ILE A 108 30.080 -19.826 -8.089 1.00 0.00 H new ATOM 0 HG12 ILE A 108 31.922 -18.521 -6.030 1.00 0.00 H new ATOM 0 HG13 ILE A 108 31.014 -17.603 -7.214 1.00 0.00 H new ATOM 0 HG21 ILE A 108 30.553 -21.153 -6.048 1.00 0.00 H new ATOM 0 HG22 ILE A 108 31.351 -21.863 -7.471 1.00 0.00 H new ATOM 0 HG23 ILE A 108 32.299 -20.917 -6.298 1.00 0.00 H new ATOM 0 HD11 ILE A 108 29.765 -17.750 -5.075 1.00 0.00 H new ATOM 0 HD12 ILE A 108 28.884 -18.594 -6.371 1.00 0.00 H new ATOM 0 HD13 ILE A 108 29.806 -19.527 -5.168 1.00 0.00 H new ATOM 1674 N ILE A 109 31.441 -21.036 -10.408 1.00 0.00 N ATOM 1675 CA ILE A 109 31.516 -22.235 -11.234 1.00 0.00 C ATOM 1676 C ILE A 109 32.894 -22.360 -11.869 1.00 0.00 C ATOM 1677 O ILE A 109 33.425 -23.462 -12.002 1.00 0.00 O ATOM 1678 CB ILE A 109 30.455 -22.179 -12.336 1.00 0.00 C ATOM 1679 CG1 ILE A 109 29.089 -21.868 -11.716 1.00 0.00 C ATOM 1680 CG2 ILE A 109 30.390 -23.522 -13.064 1.00 0.00 C ATOM 1681 CD1 ILE A 109 28.760 -22.865 -10.593 1.00 0.00 C ATOM 0 H ILE A 109 30.665 -20.413 -10.632 1.00 0.00 H new ATOM 0 HA ILE A 109 31.337 -23.102 -10.598 1.00 0.00 H new ATOM 0 HB ILE A 109 30.720 -21.397 -13.048 1.00 0.00 H new ATOM 0 HG12 ILE A 109 29.087 -20.853 -11.319 1.00 0.00 H new ATOM 0 HG13 ILE A 109 28.317 -21.911 -12.485 1.00 0.00 H new ATOM 0 HG21 ILE A 109 29.633 -23.475 -13.847 1.00 0.00 H new ATOM 0 HG22 ILE A 109 31.360 -23.741 -13.510 1.00 0.00 H new ATOM 0 HG23 ILE A 109 30.130 -24.308 -12.355 1.00 0.00 H new ATOM 0 HD11 ILE A 109 27.786 -22.625 -10.167 1.00 0.00 H new ATOM 0 HD12 ILE A 109 28.739 -23.876 -10.999 1.00 0.00 H new ATOM 0 HD13 ILE A 109 29.521 -22.801 -9.815 1.00 0.00 H new ATOM 1693 N ILE A 110 33.471 -21.234 -12.266 1.00 0.00 N ATOM 1694 CA ILE A 110 34.786 -21.254 -12.891 1.00 0.00 C ATOM 1695 C ILE A 110 35.830 -21.805 -11.920 1.00 0.00 C ATOM 1696 O ILE A 110 36.654 -22.641 -12.289 1.00 0.00 O ATOM 1697 CB ILE A 110 35.178 -19.832 -13.305 1.00 0.00 C ATOM 1698 CG1 ILE A 110 34.236 -19.352 -14.410 1.00 0.00 C ATOM 1699 CG2 ILE A 110 36.620 -19.826 -13.825 1.00 0.00 C ATOM 1700 CD1 ILE A 110 34.449 -17.856 -14.656 1.00 0.00 C ATOM 0 H ILE A 110 33.056 -20.307 -12.168 1.00 0.00 H new ATOM 0 HA ILE A 110 34.746 -21.897 -13.770 1.00 0.00 H new ATOM 0 HB ILE A 110 35.103 -19.168 -12.444 1.00 0.00 H new ATOM 0 HG12 ILE A 110 34.421 -19.911 -15.327 1.00 0.00 H new ATOM 0 HG13 ILE A 110 33.201 -19.540 -14.126 1.00 0.00 H new ATOM 0 HG21 ILE A 110 36.897 -18.813 -14.119 1.00 0.00 H new ATOM 0 HG22 ILE A 110 37.292 -20.172 -13.039 1.00 0.00 H new ATOM 0 HG23 ILE A 110 36.699 -20.488 -14.687 1.00 0.00 H new ATOM 0 HD11 ILE A 110 33.776 -17.517 -15.444 1.00 0.00 H new ATOM 0 HD12 ILE A 110 34.242 -17.303 -13.740 1.00 0.00 H new ATOM 0 HD13 ILE A 110 35.481 -17.681 -14.960 1.00 0.00 H new ATOM 1712 N ILE A 111 35.788 -21.339 -10.678 1.00 0.00 N ATOM 1713 CA ILE A 111 36.737 -21.803 -9.672 1.00 0.00 C ATOM 1714 C ILE A 111 36.503 -23.282 -9.363 1.00 0.00 C ATOM 1715 O ILE A 111 37.450 -24.064 -9.265 1.00 0.00 O ATOM 1716 CB ILE A 111 36.594 -20.960 -8.385 1.00 0.00 C ATOM 1717 CG1 ILE A 111 37.317 -19.615 -8.561 1.00 0.00 C ATOM 1718 CG2 ILE A 111 37.203 -21.705 -7.186 1.00 0.00 C ATOM 1719 CD1 ILE A 111 36.860 -18.947 -9.859 1.00 0.00 C ATOM 0 H ILE A 111 35.116 -20.648 -10.345 1.00 0.00 H new ATOM 0 HA ILE A 111 37.748 -21.686 -10.062 1.00 0.00 H new ATOM 0 HB ILE A 111 35.534 -20.788 -8.200 1.00 0.00 H new ATOM 0 HG12 ILE A 111 37.106 -18.964 -7.712 1.00 0.00 H new ATOM 0 HG13 ILE A 111 38.396 -19.771 -8.582 1.00 0.00 H new ATOM 0 HG21 ILE A 111 37.094 -21.098 -6.287 1.00 0.00 H new ATOM 0 HG22 ILE A 111 36.686 -22.655 -7.047 1.00 0.00 H new ATOM 0 HG23 ILE A 111 38.261 -21.891 -7.372 1.00 0.00 H new ATOM 0 HD11 ILE A 111 37.375 -17.994 -9.979 1.00 0.00 H new ATOM 0 HD12 ILE A 111 37.094 -19.595 -10.704 1.00 0.00 H new ATOM 0 HD13 ILE A 111 35.784 -18.775 -9.821 1.00 0.00 H new ATOM 1731 N VAL A 112 35.240 -23.651 -9.202 1.00 0.00 N ATOM 1732 CA VAL A 112 34.892 -25.023 -8.890 1.00 0.00 C ATOM 1733 C VAL A 112 35.243 -25.932 -10.057 1.00 0.00 C ATOM 1734 O VAL A 112 35.785 -27.023 -9.869 1.00 0.00 O ATOM 1735 CB VAL A 112 33.397 -25.124 -8.571 1.00 0.00 C ATOM 1736 CG1 VAL A 112 33.019 -26.590 -8.356 1.00 0.00 C ATOM 1737 CG2 VAL A 112 33.091 -24.328 -7.299 1.00 0.00 C ATOM 0 H VAL A 112 34.444 -23.019 -9.283 1.00 0.00 H new ATOM 0 HA VAL A 112 35.461 -25.342 -8.017 1.00 0.00 H new ATOM 0 HB VAL A 112 32.821 -24.718 -9.402 1.00 0.00 H new ATOM 0 HG11 VAL A 112 31.955 -26.662 -8.129 1.00 0.00 H new ATOM 0 HG12 VAL A 112 33.236 -27.158 -9.260 1.00 0.00 H new ATOM 0 HG13 VAL A 112 33.596 -26.996 -7.525 1.00 0.00 H new ATOM 0 HG21 VAL A 112 32.027 -24.400 -7.072 1.00 0.00 H new ATOM 0 HG22 VAL A 112 33.668 -24.734 -6.468 1.00 0.00 H new ATOM 0 HG23 VAL A 112 33.360 -23.283 -7.450 1.00 0.00 H new ATOM 1747 N TYR A 113 34.922 -25.477 -11.261 1.00 0.00 N ATOM 1748 CA TYR A 113 35.197 -26.260 -12.454 1.00 0.00 C ATOM 1749 C TYR A 113 36.689 -26.523 -12.593 1.00 0.00 C ATOM 1750 O TYR A 113 37.113 -27.627 -12.914 1.00 0.00 O ATOM 1751 CB TYR A 113 34.674 -25.531 -13.697 1.00 0.00 C ATOM 1752 CG TYR A 113 35.045 -26.314 -14.937 1.00 0.00 C ATOM 1753 CD1 TYR A 113 34.316 -27.456 -15.289 1.00 0.00 C ATOM 1754 CD2 TYR A 113 36.119 -25.896 -15.735 1.00 0.00 C ATOM 1755 CE1 TYR A 113 34.661 -28.180 -16.438 1.00 0.00 C ATOM 1756 CE2 TYR A 113 36.462 -26.619 -16.882 1.00 0.00 C ATOM 1757 CZ TYR A 113 35.733 -27.762 -17.233 1.00 0.00 C ATOM 1758 OH TYR A 113 36.072 -28.476 -18.365 1.00 0.00 O ATOM 0 H TYR A 113 34.475 -24.577 -11.435 1.00 0.00 H new ATOM 0 HA TYR A 113 34.685 -27.218 -12.361 1.00 0.00 H new ATOM 0 HB2 TYR A 113 33.592 -25.418 -13.636 1.00 0.00 H new ATOM 0 HB3 TYR A 113 35.097 -24.528 -13.748 1.00 0.00 H new ATOM 0 HD1 TYR A 113 33.488 -27.779 -14.675 1.00 0.00 H new ATOM 0 HD2 TYR A 113 36.682 -25.015 -15.464 1.00 0.00 H new ATOM 0 HE1 TYR A 113 34.099 -29.061 -16.710 1.00 0.00 H new ATOM 0 HE2 TYR A 113 37.289 -26.296 -17.497 1.00 0.00 H new ATOM 0 HH TYR A 113 36.838 -28.050 -18.803 1.00 0.00 H new ATOM 1768 N PHE A 114 37.476 -25.496 -12.349 1.00 0.00 N ATOM 1769 CA PHE A 114 38.927 -25.616 -12.444 1.00 0.00 C ATOM 1770 C PHE A 114 39.456 -26.614 -11.418 1.00 0.00 C ATOM 1771 O PHE A 114 40.330 -27.430 -11.715 1.00 0.00 O ATOM 1772 CB PHE A 114 39.588 -24.254 -12.232 1.00 0.00 C ATOM 1773 CG PHE A 114 41.076 -24.374 -12.473 1.00 0.00 C ATOM 1774 CD1 PHE A 114 41.570 -24.480 -13.779 1.00 0.00 C ATOM 1775 CD2 PHE A 114 41.965 -24.378 -11.389 1.00 0.00 C ATOM 1776 CE1 PHE A 114 42.948 -24.589 -14.001 1.00 0.00 C ATOM 1777 CE2 PHE A 114 43.342 -24.486 -11.612 1.00 0.00 C ATOM 1778 CZ PHE A 114 43.834 -24.592 -12.917 1.00 0.00 C ATOM 0 H PHE A 114 37.143 -24.569 -12.084 1.00 0.00 H new ATOM 0 HA PHE A 114 39.172 -25.980 -13.442 1.00 0.00 H new ATOM 0 HB2 PHE A 114 39.157 -23.519 -12.911 1.00 0.00 H new ATOM 0 HB3 PHE A 114 39.400 -23.900 -11.218 1.00 0.00 H new ATOM 0 HD1 PHE A 114 40.887 -24.478 -14.616 1.00 0.00 H new ATOM 0 HD2 PHE A 114 41.587 -24.298 -10.381 1.00 0.00 H new ATOM 0 HE1 PHE A 114 43.328 -24.671 -15.009 1.00 0.00 H new ATOM 0 HE2 PHE A 114 44.026 -24.488 -10.776 1.00 0.00 H new ATOM 0 HZ PHE A 114 44.897 -24.676 -13.088 1.00 0.00 H new ATOM 1788 N SER A 115 38.923 -26.527 -10.209 1.00 0.00 N ATOM 1789 CA SER A 115 39.339 -27.410 -9.128 1.00 0.00 C ATOM 1790 C SER A 115 38.794 -28.817 -9.332 1.00 0.00 C ATOM 1791 O SER A 115 39.251 -29.764 -8.690 1.00 0.00 O ATOM 1792 CB SER A 115 38.856 -26.867 -7.781 1.00 0.00 C ATOM 1793 OG SER A 115 39.679 -25.774 -7.395 1.00 0.00 O ATOM 0 H SER A 115 38.201 -25.854 -9.951 1.00 0.00 H new ATOM 0 HA SER A 115 40.428 -27.452 -9.132 1.00 0.00 H new ATOM 0 HB2 SER A 115 37.817 -26.546 -7.856 1.00 0.00 H new ATOM 0 HB3 SER A 115 38.894 -27.651 -7.025 1.00 0.00 H new ATOM 0 HG SER A 115 39.372 -25.422 -6.533 1.00 0.00 H new ATOM 1799 N THR A 116 37.819 -28.952 -10.223 1.00 0.00 N ATOM 1800 CA THR A 116 37.218 -30.255 -10.502 1.00 0.00 C ATOM 1801 C THR A 116 38.280 -31.358 -10.516 1.00 0.00 C ATOM 1802 O THR A 116 39.419 -31.050 -10.827 1.00 0.00 O ATOM 1803 CB THR A 116 36.501 -30.216 -11.859 1.00 0.00 C ATOM 1804 OG1 THR A 116 35.675 -31.363 -11.982 1.00 0.00 O ATOM 1805 CG2 THR A 116 37.532 -30.198 -13.000 1.00 0.00 C ATOM 1806 OXT THR A 116 37.937 -32.490 -10.219 1.00 0.00 O ATOM 0 H THR A 116 37.428 -28.181 -10.764 1.00 0.00 H new ATOM 0 HA THR A 116 36.500 -30.476 -9.712 1.00 0.00 H new ATOM 0 HB THR A 116 35.892 -29.314 -11.920 1.00 0.00 H new ATOM 0 HG1 THR A 116 35.213 -31.343 -12.846 1.00 0.00 H new ATOM 0 HG21 THR A 116 37.014 -30.170 -13.958 1.00 0.00 H new ATOM 0 HG22 THR A 116 38.165 -29.316 -12.904 1.00 0.00 H new ATOM 0 HG23 THR A 116 38.149 -31.095 -12.947 1.00 0.00 H new