USER MOD reduce.3.24.130724 H: found=0, std=0, add=416, rem=0, adj=10 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 180:sc= 0 (180deg=0) USER MOD Single : A 49 ASN :FLIP amide:sc= -0.0763 F(o=-0.67,f=-0.076) USER MOD Single : A 52 LYS NZ :NH3+ -161:sc= -0.0268 (180deg=-0.415) USER MOD Single : A 79 THR OG1 : rot -26:sc= 0.0947 USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 83 LYS NZ :NH3+ 160:sc= -0.0593 (180deg=-0.467) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 MET CE :methyl -152:sc= -0.234 (180deg=-1.33!) USER MOD Single : A 96 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 103 CYS SG : rot -41:sc= -2.39! 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 -9.389 12.885 9.557 1.00 0.00 N ATOM 506 CA GLN A 38 -8.602 12.152 8.571 1.00 0.00 C ATOM 507 C GLN A 38 -7.380 12.963 8.152 1.00 0.00 C ATOM 508 O GLN A 38 -6.297 12.414 7.949 1.00 0.00 O ATOM 509 CB GLN A 38 -9.459 11.846 7.342 1.00 0.00 C ATOM 510 CG GLN A 38 -10.574 10.871 7.726 1.00 0.00 C ATOM 511 CD GLN A 38 -11.476 10.611 6.524 1.00 0.00 C ATOM 512 OE1 GLN A 38 -11.205 11.101 5.427 1.00 0.00 O ATOM 513 NE2 GLN A 38 -12.537 9.865 6.664 1.00 0.00 N ATOM 0 HA GLN A 38 -8.267 11.218 9.022 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -9.887 12.767 6.946 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -8.842 11.416 6.553 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -10.143 9.933 8.078 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -11.160 11.281 8.549 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -12.759 9.460 7.573 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -13.144 9.686 5.864 1.00 0.00 H new ATOM 522 N VAL A 39 -7.563 14.273 8.020 1.00 0.00 N ATOM 523 CA VAL A 39 -6.471 15.152 7.623 1.00 0.00 C ATOM 524 C VAL A 39 -5.394 15.191 8.700 1.00 0.00 C ATOM 525 O VAL A 39 -4.243 15.517 8.423 1.00 0.00 O ATOM 526 CB VAL A 39 -6.999 16.566 7.374 1.00 0.00 C ATOM 527 CG1 VAL A 39 -5.835 17.491 7.008 1.00 0.00 C ATOM 528 CG2 VAL A 39 -8.010 16.539 6.225 1.00 0.00 C ATOM 0 H VAL A 39 -8.452 14.746 8.181 1.00 0.00 H new ATOM 0 HA VAL A 39 -6.034 14.762 6.704 1.00 0.00 H new ATOM 0 HB VAL A 39 -7.485 16.935 8.277 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -6.212 18.498 6.831 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -5.116 17.512 7.827 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -5.347 17.122 6.106 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -8.386 17.547 6.048 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -7.525 16.169 5.322 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -8.840 15.883 6.486 1.00 0.00 H new ATOM 538 N ASP A 40 -5.781 14.857 9.926 1.00 0.00 N ATOM 539 CA ASP A 40 -4.843 14.856 11.045 1.00 0.00 C ATOM 540 C ASP A 40 -3.734 13.837 10.811 1.00 0.00 C ATOM 541 O ASP A 40 -2.599 14.025 11.247 1.00 0.00 O ATOM 542 CB ASP A 40 -5.579 14.530 12.345 1.00 0.00 C ATOM 543 CG ASP A 40 -4.675 14.812 13.539 1.00 0.00 C ATOM 544 OD1 ASP A 40 -3.701 15.527 13.365 1.00 0.00 O ATOM 545 OD2 ASP A 40 -4.969 14.310 14.612 1.00 0.00 O ATOM 0 H ASP A 40 -6.733 14.584 10.171 1.00 0.00 H new ATOM 0 HA ASP A 40 -4.397 15.848 11.123 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -6.488 15.127 12.418 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -5.884 13.483 12.348 1.00 0.00 H new ATOM 550 N GLU A 41 -4.073 12.748 10.129 1.00 0.00 N ATOM 551 CA GLU A 41 -3.097 11.705 9.840 1.00 0.00 C ATOM 552 C GLU A 41 -2.201 12.113 8.675 1.00 0.00 C ATOM 553 O GLU A 41 -1.023 11.765 8.635 1.00 0.00 O ATOM 554 CB GLU A 41 -3.815 10.397 9.503 1.00 0.00 C ATOM 555 CG GLU A 41 -4.514 9.861 10.755 1.00 0.00 C ATOM 556 CD GLU A 41 -5.312 8.608 10.410 1.00 0.00 C ATOM 557 OE1 GLU A 41 -5.245 8.182 9.270 1.00 0.00 O ATOM 558 OE2 GLU A 41 -5.979 8.095 11.294 1.00 0.00 O ATOM 0 H GLU A 41 -5.010 12.566 9.768 1.00 0.00 H new ATOM 0 HA GLU A 41 -2.476 11.561 10.724 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -4.544 10.564 8.710 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -3.100 9.663 9.130 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -3.776 9.632 11.524 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -5.177 10.623 11.166 1.00 0.00 H new ATOM 565 N VAL A 42 -2.773 12.838 7.719 1.00 0.00 N ATOM 566 CA VAL A 42 -2.017 13.271 6.550 1.00 0.00 C ATOM 567 C VAL A 42 -0.862 14.178 6.956 1.00 0.00 C ATOM 568 O VAL A 42 0.267 14.001 6.502 1.00 0.00 O ATOM 569 CB VAL A 42 -2.941 14.017 5.581 1.00 0.00 C ATOM 570 CG1 VAL A 42 -2.121 14.568 4.412 1.00 0.00 C ATOM 571 CG2 VAL A 42 -4.006 13.056 5.047 1.00 0.00 C ATOM 0 H VAL A 42 -3.749 13.136 7.730 1.00 0.00 H new ATOM 0 HA VAL A 42 -1.608 12.388 6.059 1.00 0.00 H new ATOM 0 HB VAL A 42 -3.425 14.841 6.106 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -2.779 15.098 3.724 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -1.363 15.254 4.791 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -1.636 13.745 3.888 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -4.663 13.587 4.358 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -3.522 12.231 4.524 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -4.592 12.665 5.878 1.00 0.00 H new ATOM 581 N VAL A 43 -1.153 15.145 7.815 1.00 0.00 N ATOM 582 CA VAL A 43 -0.132 16.076 8.276 1.00 0.00 C ATOM 583 C VAL A 43 0.997 15.326 8.974 1.00 0.00 C ATOM 584 O VAL A 43 2.172 15.633 8.783 1.00 0.00 O ATOM 585 CB VAL A 43 -0.747 17.092 9.240 1.00 0.00 C ATOM 586 CG1 VAL A 43 -1.625 18.073 8.457 1.00 0.00 C ATOM 587 CG2 VAL A 43 -1.604 16.364 10.278 1.00 0.00 C ATOM 0 H VAL A 43 -2.082 15.305 8.205 1.00 0.00 H new ATOM 0 HA VAL A 43 0.274 16.600 7.411 1.00 0.00 H new ATOM 0 HB VAL A 43 0.051 17.637 9.745 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -2.063 18.797 9.144 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -1.017 18.595 7.718 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -2.420 17.526 7.951 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -2.041 17.090 10.963 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -2.400 15.817 9.773 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -0.982 15.665 10.838 1.00 0.00 H new ATOM 597 N ASP A 44 0.631 14.342 9.785 1.00 0.00 N ATOM 598 CA ASP A 44 1.621 13.550 10.509 1.00 0.00 C ATOM 599 C ASP A 44 2.525 12.807 9.531 1.00 0.00 C ATOM 600 O ASP A 44 3.741 12.748 9.718 1.00 0.00 O ATOM 601 CB ASP A 44 0.920 12.542 11.422 1.00 0.00 C ATOM 602 CG ASP A 44 0.294 13.263 12.610 1.00 0.00 C ATOM 603 OD1 ASP A 44 0.544 14.448 12.758 1.00 0.00 O ATOM 604 OD2 ASP A 44 -0.430 12.622 13.354 1.00 0.00 O ATOM 0 H ASP A 44 -0.337 14.073 9.959 1.00 0.00 H new ATOM 0 HA ASP A 44 2.228 14.224 11.113 1.00 0.00 H new ATOM 0 HB2 ASP A 44 0.151 12.007 10.864 1.00 0.00 H new ATOM 0 HB3 ASP A 44 1.635 11.798 11.773 1.00 0.00 H new ATOM 609 N ILE A 45 1.925 12.241 8.486 1.00 0.00 N ATOM 610 CA ILE A 45 2.692 11.507 7.488 1.00 0.00 C ATOM 611 C ILE A 45 3.660 12.437 6.762 1.00 0.00 C ATOM 612 O ILE A 45 4.816 12.086 6.527 1.00 0.00 O ATOM 613 CB ILE A 45 1.742 10.859 6.475 1.00 0.00 C ATOM 614 CG1 ILE A 45 0.939 9.755 7.168 1.00 0.00 C ATOM 615 CG2 ILE A 45 2.551 10.252 5.325 1.00 0.00 C ATOM 616 CD1 ILE A 45 -0.221 9.328 6.268 1.00 0.00 C ATOM 0 H ILE A 45 0.921 12.277 8.311 1.00 0.00 H new ATOM 0 HA ILE A 45 3.267 10.732 7.995 1.00 0.00 H new ATOM 0 HB ILE A 45 1.063 11.615 6.080 1.00 0.00 H new ATOM 0 HG12 ILE A 45 1.582 8.901 7.380 1.00 0.00 H new ATOM 0 HG13 ILE A 45 0.559 10.113 8.125 1.00 0.00 H new ATOM 0 HG21 ILE A 45 1.873 9.792 4.606 1.00 0.00 H new ATOM 0 HG22 ILE A 45 3.126 11.036 4.831 1.00 0.00 H new ATOM 0 HG23 ILE A 45 3.231 9.496 5.718 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -0.793 8.542 6.761 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -0.869 10.184 6.078 1.00 0.00 H new ATOM 0 HD13 ILE A 45 0.171 8.953 5.322 1.00 0.00 H new ATOM 628 N MET A 46 3.176 13.622 6.405 1.00 0.00 N ATOM 629 CA MET A 46 4.002 14.592 5.699 1.00 0.00 C ATOM 630 C MET A 46 5.162 15.042 6.578 1.00 0.00 C ATOM 631 O MET A 46 6.281 15.227 6.101 1.00 0.00 O ATOM 632 CB MET A 46 3.161 15.804 5.297 1.00 0.00 C ATOM 633 CG MET A 46 4.023 16.784 4.499 1.00 0.00 C ATOM 634 SD MET A 46 2.988 18.131 3.874 1.00 0.00 S ATOM 635 CE MET A 46 3.110 19.205 5.324 1.00 0.00 C ATOM 0 H MET A 46 2.222 13.932 6.592 1.00 0.00 H new ATOM 0 HA MET A 46 4.401 14.118 4.802 1.00 0.00 H new ATOM 0 HB2 MET A 46 2.307 15.485 4.699 1.00 0.00 H new ATOM 0 HB3 MET A 46 2.763 16.294 6.185 1.00 0.00 H new ATOM 0 HG2 MET A 46 4.816 17.184 5.130 1.00 0.00 H new ATOM 0 HG3 MET A 46 4.506 16.268 3.669 1.00 0.00 H new ATOM 0 HE1 MET A 46 2.533 20.114 5.153 1.00 0.00 H new ATOM 0 HE2 MET A 46 2.716 18.684 6.197 1.00 0.00 H new ATOM 0 HE3 MET A 46 4.154 19.465 5.497 1.00 0.00 H new ATOM 645 N ARG A 47 4.886 15.222 7.864 1.00 0.00 N ATOM 646 CA ARG A 47 5.912 15.660 8.797 1.00 0.00 C ATOM 647 C ARG A 47 7.083 14.681 8.806 1.00 0.00 C ATOM 648 O ARG A 47 8.244 15.089 8.797 1.00 0.00 O ATOM 649 CB ARG A 47 5.324 15.765 10.207 1.00 0.00 C ATOM 650 CG ARG A 47 6.311 16.510 11.128 1.00 0.00 C ATOM 651 CD ARG A 47 6.029 18.015 11.070 1.00 0.00 C ATOM 652 NE ARG A 47 4.721 18.300 11.646 1.00 0.00 N ATOM 653 CZ ARG A 47 4.100 19.450 11.402 1.00 0.00 C ATOM 654 NH1 ARG A 47 4.663 20.344 10.637 1.00 0.00 N ATOM 655 NH2 ARG A 47 2.931 19.684 11.929 1.00 0.00 N ATOM 0 H ARG A 47 3.967 15.072 8.280 1.00 0.00 H new ATOM 0 HA ARG A 47 6.273 16.638 8.478 1.00 0.00 H new ATOM 0 HB2 ARG A 47 4.371 16.294 10.176 1.00 0.00 H new ATOM 0 HB3 ARG A 47 5.123 14.769 10.603 1.00 0.00 H new ATOM 0 HG2 ARG A 47 6.212 16.150 12.152 1.00 0.00 H new ATOM 0 HG3 ARG A 47 7.336 16.309 10.818 1.00 0.00 H new ATOM 0 HD2 ARG A 47 6.801 18.559 11.614 1.00 0.00 H new ATOM 0 HD3 ARG A 47 6.063 18.360 10.037 1.00 0.00 H new ATOM 0 HE ARG A 47 4.275 17.606 12.246 1.00 0.00 H new ATOM 0 HH11 ARG A 47 5.579 20.160 10.227 1.00 0.00 H new ATOM 0 HH12 ARG A 47 4.188 21.227 10.449 1.00 0.00 H new ATOM 0 HH21 ARG A 47 2.493 18.985 12.529 1.00 0.00 H new ATOM 0 HH22 ARG A 47 2.455 20.566 11.742 1.00 0.00 H new ATOM 669 N VAL A 48 6.771 13.393 8.826 1.00 0.00 N ATOM 670 CA VAL A 48 7.803 12.367 8.837 1.00 0.00 C ATOM 671 C VAL A 48 8.655 12.451 7.574 1.00 0.00 C ATOM 672 O VAL A 48 9.880 12.358 7.633 1.00 0.00 O ATOM 673 CB VAL A 48 7.162 10.981 8.935 1.00 0.00 C ATOM 674 CG1 VAL A 48 8.243 9.904 8.809 1.00 0.00 C ATOM 675 CG2 VAL A 48 6.457 10.837 10.285 1.00 0.00 C ATOM 0 H VAL A 48 5.816 13.035 8.835 1.00 0.00 H new ATOM 0 HA VAL A 48 8.443 12.531 9.704 1.00 0.00 H new ATOM 0 HB VAL A 48 6.436 10.863 8.130 1.00 0.00 H new ATOM 0 HG11 VAL A 48 7.784 8.918 8.879 1.00 0.00 H new ATOM 0 HG12 VAL A 48 8.745 10.003 7.846 1.00 0.00 H new ATOM 0 HG13 VAL A 48 8.971 10.023 9.612 1.00 0.00 H new ATOM 0 HG21 VAL A 48 6.001 9.849 10.354 1.00 0.00 H new ATOM 0 HG22 VAL A 48 7.183 10.958 11.089 1.00 0.00 H new ATOM 0 HG23 VAL A 48 5.684 11.601 10.375 1.00 0.00 H new ATOM 685 N ASN A 49 7.996 12.625 6.433 1.00 0.00 N ATOM 686 CA ASN A 49 8.706 12.713 5.160 1.00 0.00 C ATOM 687 C ASN A 49 9.670 13.896 5.176 1.00 0.00 C ATOM 688 O ASN A 49 10.795 13.797 4.688 1.00 0.00 O ATOM 689 CB ASN A 49 7.701 12.880 4.016 1.00 0.00 C ATOM 690 CG ASN A 49 7.049 11.539 3.693 1.00 0.00 C ATOM 691 OD1 ASN A 49 7.793 10.471 3.591 1.00 0.00 O flip ATOM 692 ND2 ASN A 49 5.832 11.464 3.529 1.00 0.00 N flip ATOM 0 H ASN A 49 6.982 12.707 6.362 1.00 0.00 H new ATOM 0 HA ASN A 49 9.275 11.795 5.009 1.00 0.00 H new ATOM 0 HB2 ASN A 49 6.938 13.607 4.295 1.00 0.00 H new ATOM 0 HB3 ASN A 49 8.205 13.271 3.132 1.00 0.00 H new ATOM 0 HD21 ASN A 49 5.254 12.301 3.610 1.00 0.00 H new ATOM 0 HD22 ASN A 49 5.401 10.565 3.313 1.00 0.00 H new ATOM 699 N VAL A 50 9.225 15.010 5.743 1.00 0.00 N ATOM 700 CA VAL A 50 10.060 16.199 5.832 1.00 0.00 C ATOM 701 C VAL A 50 11.239 15.959 6.765 1.00 0.00 C ATOM 702 O VAL A 50 12.365 16.368 6.486 1.00 0.00 O ATOM 703 CB VAL A 50 9.237 17.388 6.324 1.00 0.00 C ATOM 704 CG1 VAL A 50 10.149 18.602 6.516 1.00 0.00 C ATOM 705 CG2 VAL A 50 8.156 17.725 5.293 1.00 0.00 C ATOM 0 H VAL A 50 8.294 15.114 6.147 1.00 0.00 H new ATOM 0 HA VAL A 50 10.445 16.422 4.837 1.00 0.00 H new ATOM 0 HB VAL A 50 8.769 17.131 7.274 1.00 0.00 H new ATOM 0 HG11 VAL A 50 9.559 19.449 6.867 1.00 0.00 H new ATOM 0 HG12 VAL A 50 10.918 18.366 7.251 1.00 0.00 H new ATOM 0 HG13 VAL A 50 10.620 18.857 5.567 1.00 0.00 H new ATOM 0 HG21 VAL A 50 7.569 18.574 5.645 1.00 0.00 H new ATOM 0 HG22 VAL A 50 8.626 17.978 4.343 1.00 0.00 H new ATOM 0 HG23 VAL A 50 7.502 16.864 5.156 1.00 0.00 H new ATOM 715 N ASP A 51 10.964 15.309 7.882 1.00 0.00 N ATOM 716 CA ASP A 51 12.007 15.028 8.869 1.00 0.00 C ATOM 717 C ASP A 51 13.004 14.014 8.318 1.00 0.00 C ATOM 718 O ASP A 51 14.134 13.917 8.796 1.00 0.00 O ATOM 719 CB ASP A 51 11.380 14.479 10.155 1.00 0.00 C ATOM 720 CG ASP A 51 10.614 15.585 10.875 1.00 0.00 C ATOM 721 OD1 ASP A 51 10.754 16.730 10.478 1.00 0.00 O ATOM 722 OD2 ASP A 51 9.900 15.270 11.812 1.00 0.00 O ATOM 0 H ASP A 51 10.037 14.966 8.133 1.00 0.00 H new ATOM 0 HA ASP A 51 12.531 15.958 9.089 1.00 0.00 H new ATOM 0 HB2 ASP A 51 10.708 13.654 9.918 1.00 0.00 H new ATOM 0 HB3 ASP A 51 12.157 14.080 10.807 1.00 0.00 H new ATOM 727 N LYS A 52 12.579 13.255 7.311 1.00 0.00 N ATOM 728 CA LYS A 52 13.442 12.252 6.704 1.00 0.00 C ATOM 729 C LYS A 52 14.604 12.913 5.976 1.00 0.00 C ATOM 730 O LYS A 52 15.762 12.531 6.156 1.00 0.00 O ATOM 731 CB LYS A 52 12.637 11.400 5.721 1.00 0.00 C ATOM 732 CG LYS A 52 13.516 10.267 5.190 1.00 0.00 C ATOM 733 CD LYS A 52 12.689 9.373 4.263 1.00 0.00 C ATOM 734 CE LYS A 52 13.560 8.221 3.755 1.00 0.00 C ATOM 735 NZ LYS A 52 14.655 8.764 2.903 1.00 0.00 N ATOM 0 H LYS A 52 11.647 13.317 6.902 1.00 0.00 H new ATOM 0 HA LYS A 52 13.841 11.616 7.494 1.00 0.00 H new ATOM 0 HB2 LYS A 52 11.756 10.990 6.215 1.00 0.00 H new ATOM 0 HB3 LYS A 52 12.282 12.016 4.895 1.00 0.00 H new ATOM 0 HG2 LYS A 52 14.370 10.677 4.651 1.00 0.00 H new ATOM 0 HG3 LYS A 52 13.913 9.681 6.019 1.00 0.00 H new ATOM 0 HD2 LYS A 52 11.823 8.981 4.796 1.00 0.00 H new ATOM 0 HD3 LYS A 52 12.310 9.954 3.423 1.00 0.00 H new ATOM 0 HE2 LYS A 52 13.979 7.669 4.597 1.00 0.00 H new ATOM 0 HE3 LYS A 52 12.954 7.518 3.183 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 15.042 8.004 2.308 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 14.280 9.521 2.297 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 15.409 9.147 3.509 1.00 0.00 H new ATOM 1144 N THR A 79 28.737 19.204 -21.769 1.00 0.00 N ATOM 1145 CA THR A 79 27.540 18.733 -21.082 1.00 0.00 C ATOM 1146 C THR A 79 26.904 17.576 -21.841 1.00 0.00 C ATOM 1147 O THR A 79 26.326 16.669 -21.243 1.00 0.00 O ATOM 1148 CB THR A 79 26.530 19.876 -20.950 1.00 0.00 C ATOM 1149 OG1 THR A 79 26.195 20.359 -22.243 1.00 0.00 O ATOM 1150 CG2 THR A 79 27.140 21.008 -20.123 1.00 0.00 C ATOM 0 HA THR A 79 27.828 18.385 -20.090 1.00 0.00 H new ATOM 0 HB THR A 79 25.631 19.511 -20.452 1.00 0.00 H new ATOM 0 HG1 THR A 79 26.932 20.175 -22.862 1.00 0.00 H new ATOM 0 HG21 THR A 79 26.419 21.820 -20.031 1.00 0.00 H new ATOM 0 HG22 THR A 79 27.397 20.636 -19.131 1.00 0.00 H new ATOM 0 HG23 THR A 79 28.039 21.376 -20.617 1.00 0.00 H new ATOM 1158 N SER A 80 27.012 17.614 -23.166 1.00 0.00 N ATOM 1159 CA SER A 80 26.437 16.563 -24.000 1.00 0.00 C ATOM 1160 C SER A 80 27.048 15.209 -23.653 1.00 0.00 C ATOM 1161 O SER A 80 26.372 14.183 -23.708 1.00 0.00 O ATOM 1162 CB SER A 80 26.687 16.872 -25.475 1.00 0.00 C ATOM 1163 OG SER A 80 28.080 16.802 -25.740 1.00 0.00 O ATOM 0 H SER A 80 27.488 18.354 -23.682 1.00 0.00 H new ATOM 0 HA SER A 80 25.364 16.524 -23.813 1.00 0.00 H new ATOM 0 HB2 SER A 80 26.150 16.162 -26.103 1.00 0.00 H new ATOM 0 HB3 SER A 80 26.308 17.864 -25.720 1.00 0.00 H new ATOM 0 HG SER A 80 28.243 16.998 -26.686 1.00 0.00 H new ATOM 1169 N ALA A 81 28.326 15.215 -23.293 1.00 0.00 N ATOM 1170 CA ALA A 81 29.017 13.981 -22.939 1.00 0.00 C ATOM 1171 C ALA A 81 28.390 13.351 -21.699 1.00 0.00 C ATOM 1172 O ALA A 81 28.308 12.128 -21.586 1.00 0.00 O ATOM 1173 CB ALA A 81 30.496 14.267 -22.676 1.00 0.00 C ATOM 0 H ALA A 81 28.902 16.055 -23.239 1.00 0.00 H new ATOM 0 HA ALA A 81 28.925 13.284 -23.772 1.00 0.00 H new ATOM 0 HB1 ALA A 81 31.005 13.340 -22.412 1.00 0.00 H new ATOM 0 HB2 ALA A 81 30.950 14.688 -23.573 1.00 0.00 H new ATOM 0 HB3 ALA A 81 30.589 14.978 -21.855 1.00 0.00 H new ATOM 1179 N ALA A 82 27.953 14.193 -20.769 1.00 0.00 N ATOM 1180 CA ALA A 82 27.340 13.707 -19.539 1.00 0.00 C ATOM 1181 C ALA A 82 26.088 12.894 -19.849 1.00 0.00 C ATOM 1182 O ALA A 82 25.786 11.915 -19.167 1.00 0.00 O ATOM 1183 CB ALA A 82 26.973 14.886 -18.636 1.00 0.00 C ATOM 0 H ALA A 82 28.011 15.209 -20.842 1.00 0.00 H new ATOM 0 HA ALA A 82 28.058 13.067 -19.027 1.00 0.00 H new ATOM 0 HB1 ALA A 82 26.516 14.514 -17.719 1.00 0.00 H new ATOM 0 HB2 ALA A 82 27.873 15.449 -18.390 1.00 0.00 H new ATOM 0 HB3 ALA A 82 26.269 15.536 -19.155 1.00 0.00 H new ATOM 1189 N LYS A 83 25.355 13.310 -20.878 1.00 0.00 N ATOM 1190 CA LYS A 83 24.134 12.618 -21.262 1.00 0.00 C ATOM 1191 C LYS A 83 24.429 11.162 -21.610 1.00 0.00 C ATOM 1192 O LYS A 83 23.719 10.255 -21.177 1.00 0.00 O ATOM 1193 CB LYS A 83 23.498 13.314 -22.467 1.00 0.00 C ATOM 1194 CG LYS A 83 22.152 12.658 -22.787 1.00 0.00 C ATOM 1195 CD LYS A 83 21.491 13.390 -23.956 1.00 0.00 C ATOM 1196 CE LYS A 83 20.150 12.729 -24.281 1.00 0.00 C ATOM 1197 NZ LYS A 83 19.219 12.903 -23.131 1.00 0.00 N ATOM 0 H LYS A 83 25.585 14.118 -21.456 1.00 0.00 H new ATOM 0 HA LYS A 83 23.443 12.645 -20.420 1.00 0.00 H new ATOM 0 HB2 LYS A 83 23.356 14.374 -22.255 1.00 0.00 H new ATOM 0 HB3 LYS A 83 24.161 13.248 -23.330 1.00 0.00 H new ATOM 0 HG2 LYS A 83 22.298 11.608 -23.038 1.00 0.00 H new ATOM 0 HG3 LYS A 83 21.503 12.689 -21.912 1.00 0.00 H new ATOM 0 HD2 LYS A 83 21.339 14.439 -23.702 1.00 0.00 H new ATOM 0 HD3 LYS A 83 22.142 13.364 -24.830 1.00 0.00 H new ATOM 0 HE2 LYS A 83 19.722 13.173 -25.180 1.00 0.00 H new ATOM 0 HE3 LYS A 83 20.296 11.669 -24.488 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 18.239 12.771 -23.454 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 19.439 12.200 -22.397 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 19.328 13.860 -22.738 1.00 0.00 H new ATOM 1211 N LEU A 84 25.478 10.946 -22.394 1.00 0.00 N ATOM 1212 CA LEU A 84 25.856 9.596 -22.791 1.00 0.00 C ATOM 1213 C LEU A 84 26.246 8.768 -21.570 1.00 0.00 C ATOM 1214 O LEU A 84 25.888 7.597 -21.462 1.00 0.00 O ATOM 1215 CB LEU A 84 27.030 9.651 -23.777 1.00 0.00 C ATOM 1216 CG LEU A 84 26.508 9.959 -25.183 1.00 0.00 C ATOM 1217 CD1 LEU A 84 25.794 11.312 -25.177 1.00 0.00 C ATOM 1218 CD2 LEU A 84 27.683 10.005 -26.160 1.00 0.00 C ATOM 0 H LEU A 84 26.078 11.683 -22.765 1.00 0.00 H new ATOM 0 HA LEU A 84 25.000 9.124 -23.274 1.00 0.00 H new ATOM 0 HB2 LEU A 84 27.742 10.416 -23.467 1.00 0.00 H new ATOM 0 HB3 LEU A 84 27.563 8.700 -23.777 1.00 0.00 H new ATOM 0 HG LEU A 84 25.808 9.182 -25.491 1.00 0.00 H new ATOM 0 HD11 LEU A 84 25.422 11.532 -26.178 1.00 0.00 H new ATOM 0 HD12 LEU A 84 24.958 11.279 -24.478 1.00 0.00 H new ATOM 0 HD13 LEU A 84 26.492 12.091 -24.870 1.00 0.00 H new ATOM 0 HD21 LEU A 84 27.315 10.224 -27.162 1.00 0.00 H new ATOM 0 HD22 LEU A 84 28.382 10.783 -25.852 1.00 0.00 H new ATOM 0 HD23 LEU A 84 28.192 9.041 -26.163 1.00 0.00 H new ATOM 1230 N LYS A 85 26.990 9.385 -20.658 1.00 0.00 N ATOM 1231 CA LYS A 85 27.431 8.695 -19.452 1.00 0.00 C ATOM 1232 C LYS A 85 26.232 8.295 -18.601 1.00 0.00 C ATOM 1233 O LYS A 85 26.197 7.204 -18.031 1.00 0.00 O ATOM 1234 CB LYS A 85 28.357 9.600 -18.640 1.00 0.00 C ATOM 1235 CG LYS A 85 29.659 9.823 -19.414 1.00 0.00 C ATOM 1236 CD LYS A 85 30.574 10.755 -18.618 1.00 0.00 C ATOM 1237 CE LYS A 85 31.881 10.963 -19.384 1.00 0.00 C ATOM 1238 NZ LYS A 85 32.766 11.883 -18.617 1.00 0.00 N ATOM 0 H LYS A 85 27.298 10.355 -20.730 1.00 0.00 H new ATOM 0 HA LYS A 85 27.972 7.796 -19.746 1.00 0.00 H new ATOM 0 HB2 LYS A 85 27.870 10.555 -18.444 1.00 0.00 H new ATOM 0 HB3 LYS A 85 28.570 9.146 -17.672 1.00 0.00 H new ATOM 0 HG2 LYS A 85 30.158 8.870 -19.590 1.00 0.00 H new ATOM 0 HG3 LYS A 85 29.444 10.255 -20.391 1.00 0.00 H new ATOM 0 HD2 LYS A 85 30.080 11.713 -18.453 1.00 0.00 H new ATOM 0 HD3 LYS A 85 30.779 10.329 -17.636 1.00 0.00 H new ATOM 0 HE2 LYS A 85 32.380 10.006 -19.539 1.00 0.00 H new ATOM 0 HE3 LYS A 85 31.675 11.378 -20.370 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 33.655 12.024 -19.138 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 32.289 12.799 -18.491 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 32.973 11.469 -17.685 1.00 0.00 H new ATOM 1252 N ARG A 86 25.252 9.186 -18.515 1.00 0.00 N ATOM 1253 CA ARG A 86 24.060 8.917 -17.727 1.00 0.00 C ATOM 1254 C ARG A 86 23.338 7.677 -18.241 1.00 0.00 C ATOM 1255 O ARG A 86 22.920 6.822 -17.463 1.00 0.00 O ATOM 1256 CB ARG A 86 23.115 10.121 -17.780 1.00 0.00 C ATOM 1257 CG ARG A 86 22.013 9.967 -16.714 1.00 0.00 C ATOM 1258 CD ARG A 86 22.484 10.586 -15.395 1.00 0.00 C ATOM 1259 NE ARG A 86 22.636 12.028 -15.544 1.00 0.00 N ATOM 1260 CZ ARG A 86 23.202 12.761 -14.591 1.00 0.00 C ATOM 1261 NH1 ARG A 86 23.634 12.188 -13.500 1.00 0.00 N ATOM 1262 NH2 ARG A 86 23.326 14.050 -14.744 1.00 0.00 N ATOM 0 H ARG A 86 25.260 10.095 -18.978 1.00 0.00 H new ATOM 0 HA ARG A 86 24.366 8.739 -16.696 1.00 0.00 H new ATOM 0 HB2 ARG A 86 23.674 11.041 -17.608 1.00 0.00 H new ATOM 0 HB3 ARG A 86 22.667 10.200 -18.771 1.00 0.00 H new ATOM 0 HG2 ARG A 86 21.098 10.454 -17.050 1.00 0.00 H new ATOM 0 HG3 ARG A 86 21.778 8.913 -16.569 1.00 0.00 H new ATOM 0 HD2 ARG A 86 21.765 10.368 -14.605 1.00 0.00 H new ATOM 0 HD3 ARG A 86 23.433 10.142 -15.094 1.00 0.00 H new ATOM 0 HE ARG A 86 22.302 12.482 -16.394 1.00 0.00 H new ATOM 0 HH11 ARG A 86 23.537 11.180 -13.381 1.00 0.00 H new ATOM 0 HH12 ARG A 86 24.069 12.749 -12.767 1.00 0.00 H new ATOM 0 HH21 ARG A 86 22.988 14.497 -15.596 1.00 0.00 H new ATOM 0 HH22 ARG A 86 23.761 14.611 -14.011 1.00 0.00 H new ATOM 1403 N LEU A 93 21.021 1.292 -12.471 1.00 0.00 N ATOM 1404 CA LEU A 93 21.862 0.961 -11.333 1.00 0.00 C ATOM 1405 C LEU A 93 21.333 -0.277 -10.614 1.00 0.00 C ATOM 1406 O LEU A 93 22.100 -1.150 -10.217 1.00 0.00 O ATOM 1407 CB LEU A 93 21.912 2.143 -10.353 1.00 0.00 C ATOM 1408 CG LEU A 93 22.724 1.760 -9.108 1.00 0.00 C ATOM 1409 CD1 LEU A 93 24.130 1.308 -9.526 1.00 0.00 C ATOM 1410 CD2 LEU A 93 22.830 2.970 -8.181 1.00 0.00 C ATOM 0 HA LEU A 93 22.867 0.752 -11.700 1.00 0.00 H new ATOM 0 HB2 LEU A 93 22.362 3.009 -10.838 1.00 0.00 H new ATOM 0 HB3 LEU A 93 20.901 2.429 -10.064 1.00 0.00 H new ATOM 0 HG LEU A 93 22.225 0.943 -8.587 1.00 0.00 H new ATOM 0 HD11 LEU A 93 24.704 1.037 -8.640 1.00 0.00 H new ATOM 0 HD12 LEU A 93 24.053 0.444 -10.187 1.00 0.00 H new ATOM 0 HD13 LEU A 93 24.633 2.121 -10.049 1.00 0.00 H new ATOM 0 HD21 LEU A 93 23.406 2.701 -7.296 1.00 0.00 H new ATOM 0 HD22 LEU A 93 23.328 3.786 -8.704 1.00 0.00 H new ATOM 0 HD23 LEU A 93 21.831 3.287 -7.881 1.00 0.00 H new ATOM 1422 N LYS A 94 20.022 -0.333 -10.437 1.00 0.00 N ATOM 1423 CA LYS A 94 19.399 -1.458 -9.745 1.00 0.00 C ATOM 1424 C LYS A 94 19.703 -2.758 -10.470 1.00 0.00 C ATOM 1425 O LYS A 94 19.854 -3.806 -9.845 1.00 0.00 O ATOM 1426 CB LYS A 94 17.885 -1.246 -9.678 1.00 0.00 C ATOM 1427 CG LYS A 94 17.570 0.074 -8.956 1.00 0.00 C ATOM 1428 CD LYS A 94 17.718 -0.108 -7.443 1.00 0.00 C ATOM 1429 CE LYS A 94 17.334 1.187 -6.735 1.00 0.00 C ATOM 1430 NZ LYS A 94 17.503 1.012 -5.265 1.00 0.00 N ATOM 0 H LYS A 94 19.369 0.381 -10.760 1.00 0.00 H new ATOM 0 HA LYS A 94 19.803 -1.517 -8.734 1.00 0.00 H new ATOM 0 HB2 LYS A 94 17.467 -1.228 -10.685 1.00 0.00 H new ATOM 0 HB3 LYS A 94 17.416 -2.078 -9.153 1.00 0.00 H new ATOM 0 HG2 LYS A 94 18.243 0.858 -9.304 1.00 0.00 H new ATOM 0 HG3 LYS A 94 16.556 0.395 -9.194 1.00 0.00 H new ATOM 0 HD2 LYS A 94 17.082 -0.925 -7.100 1.00 0.00 H new ATOM 0 HD3 LYS A 94 18.745 -0.379 -7.197 1.00 0.00 H new ATOM 0 HE2 LYS A 94 17.958 2.008 -7.089 1.00 0.00 H new ATOM 0 HE3 LYS A 94 16.301 1.449 -6.966 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 17.242 1.893 -4.778 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 16.890 0.239 -4.935 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 18.495 0.781 -5.055 1.00 0.00 H new ATOM 1444 N MET A 95 19.791 -2.683 -11.791 1.00 0.00 N ATOM 1445 CA MET A 95 20.079 -3.862 -12.594 1.00 0.00 C ATOM 1446 C MET A 95 21.450 -4.431 -12.234 1.00 0.00 C ATOM 1447 O MET A 95 21.674 -5.637 -12.312 1.00 0.00 O ATOM 1448 CB MET A 95 20.050 -3.504 -14.080 1.00 0.00 C ATOM 1449 CG MET A 95 18.632 -3.083 -14.478 1.00 0.00 C ATOM 1450 SD MET A 95 17.508 -4.493 -14.316 1.00 0.00 S ATOM 1451 CE MET A 95 18.206 -5.501 -15.648 1.00 0.00 C ATOM 0 H MET A 95 19.668 -1.823 -12.326 1.00 0.00 H new ATOM 0 HA MET A 95 19.317 -4.614 -12.388 1.00 0.00 H new ATOM 0 HB2 MET A 95 20.751 -2.695 -14.283 1.00 0.00 H new ATOM 0 HB3 MET A 95 20.368 -4.359 -14.677 1.00 0.00 H new ATOM 0 HG2 MET A 95 18.295 -2.262 -13.845 1.00 0.00 H new ATOM 0 HG3 MET A 95 18.626 -2.717 -15.505 1.00 0.00 H new ATOM 0 HE1 MET A 95 17.430 -6.145 -16.062 1.00 0.00 H new ATOM 0 HE2 MET A 95 18.593 -4.850 -16.432 1.00 0.00 H new ATOM 0 HE3 MET A 95 19.015 -6.115 -15.253 1.00 0.00 H new ATOM 1461 N MET A 96 22.369 -3.549 -11.861 1.00 0.00 N ATOM 1462 CA MET A 96 23.719 -3.975 -11.510 1.00 0.00 C ATOM 1463 C MET A 96 23.703 -4.827 -10.246 1.00 0.00 C ATOM 1464 O MET A 96 24.418 -5.825 -10.146 1.00 0.00 O ATOM 1465 CB MET A 96 24.612 -2.751 -11.289 1.00 0.00 C ATOM 1466 CG MET A 96 24.711 -1.952 -12.590 1.00 0.00 C ATOM 1467 SD MET A 96 25.848 -0.563 -12.361 1.00 0.00 S ATOM 1468 CE MET A 96 25.806 0.050 -14.063 1.00 0.00 C ATOM 0 H MET A 96 22.208 -2.544 -11.794 1.00 0.00 H new ATOM 0 HA MET A 96 24.115 -4.572 -12.332 1.00 0.00 H new ATOM 0 HB2 MET A 96 24.201 -2.126 -10.496 1.00 0.00 H new ATOM 0 HB3 MET A 96 25.605 -3.065 -10.966 1.00 0.00 H new ATOM 0 HG2 MET A 96 25.063 -2.594 -13.398 1.00 0.00 H new ATOM 0 HG3 MET A 96 23.726 -1.586 -12.880 1.00 0.00 H new ATOM 0 HE1 MET A 96 26.451 0.924 -14.151 1.00 0.00 H new ATOM 0 HE2 MET A 96 26.157 -0.730 -14.739 1.00 0.00 H new ATOM 0 HE3 MET A 96 24.785 0.325 -14.325 1.00 0.00 H new ATOM 1478 N ILE A 97 22.898 -4.417 -9.271 1.00 0.00 N ATOM 1479 CA ILE A 97 22.821 -5.149 -8.013 1.00 0.00 C ATOM 1480 C ILE A 97 22.349 -6.579 -8.248 1.00 0.00 C ATOM 1481 O ILE A 97 22.983 -7.529 -7.793 1.00 0.00 O ATOM 1482 CB ILE A 97 21.849 -4.431 -7.056 1.00 0.00 C ATOM 1483 CG1 ILE A 97 22.550 -3.228 -6.410 1.00 0.00 C ATOM 1484 CG2 ILE A 97 21.384 -5.398 -5.960 1.00 0.00 C ATOM 1485 CD1 ILE A 97 22.854 -2.178 -7.477 1.00 0.00 C ATOM 0 H ILE A 97 22.298 -3.594 -9.326 1.00 0.00 H new ATOM 0 HA ILE A 97 23.816 -5.182 -7.569 1.00 0.00 H new ATOM 0 HB ILE A 97 20.984 -4.086 -7.623 1.00 0.00 H new ATOM 0 HG12 ILE A 97 21.917 -2.799 -5.634 1.00 0.00 H new ATOM 0 HG13 ILE A 97 23.473 -3.548 -5.927 1.00 0.00 H new ATOM 0 HG21 ILE A 97 20.698 -4.883 -5.288 1.00 0.00 H new ATOM 0 HG22 ILE A 97 20.876 -6.248 -6.416 1.00 0.00 H new ATOM 0 HG23 ILE A 97 22.247 -5.751 -5.396 1.00 0.00 H new ATOM 0 HD11 ILE A 97 23.352 -1.325 -7.016 1.00 0.00 H new ATOM 0 HD12 ILE A 97 23.504 -2.610 -8.238 1.00 0.00 H new ATOM 0 HD13 ILE A 97 21.923 -1.849 -7.939 1.00 0.00 H new ATOM 1497 N ILE A 98 21.232 -6.719 -8.945 1.00 0.00 N ATOM 1498 CA ILE A 98 20.679 -8.039 -9.227 1.00 0.00 C ATOM 1499 C ILE A 98 21.569 -8.788 -10.206 1.00 0.00 C ATOM 1500 O ILE A 98 21.796 -9.988 -10.062 1.00 0.00 O ATOM 1501 CB ILE A 98 19.269 -7.905 -9.802 1.00 0.00 C ATOM 1502 CG1 ILE A 98 18.731 -9.291 -10.154 1.00 0.00 C ATOM 1503 CG2 ILE A 98 19.314 -7.039 -11.059 1.00 0.00 C ATOM 1504 CD1 ILE A 98 17.233 -9.197 -10.446 1.00 0.00 C ATOM 0 H ILE A 98 20.692 -5.942 -9.325 1.00 0.00 H new ATOM 0 HA ILE A 98 20.632 -8.602 -8.295 1.00 0.00 H new ATOM 0 HB ILE A 98 18.616 -7.439 -9.064 1.00 0.00 H new ATOM 0 HG12 ILE A 98 19.257 -9.688 -11.022 1.00 0.00 H new ATOM 0 HG13 ILE A 98 18.909 -9.982 -9.330 1.00 0.00 H new ATOM 0 HG21 ILE A 98 18.309 -6.942 -11.470 1.00 0.00 H new ATOM 0 HG22 ILE A 98 19.699 -6.051 -10.807 1.00 0.00 H new ATOM 0 HG23 ILE A 98 19.966 -7.505 -11.798 1.00 0.00 H new ATOM 0 HD11 ILE A 98 16.849 -10.186 -10.697 1.00 0.00 H new ATOM 0 HD12 ILE A 98 16.714 -8.819 -9.565 1.00 0.00 H new ATOM 0 HD13 ILE A 98 17.067 -8.520 -11.284 1.00 0.00 H new ATOM 1516 N LEU A 99 22.068 -8.070 -11.205 1.00 0.00 N ATOM 1517 CA LEU A 99 22.928 -8.677 -12.208 1.00 0.00 C ATOM 1518 C LEU A 99 24.207 -9.203 -11.567 1.00 0.00 C ATOM 1519 O LEU A 99 24.693 -10.278 -11.919 1.00 0.00 O ATOM 1520 CB LEU A 99 23.277 -7.654 -13.295 1.00 0.00 C ATOM 1521 CG LEU A 99 24.200 -8.295 -14.341 1.00 0.00 C ATOM 1522 CD1 LEU A 99 23.506 -9.512 -14.972 1.00 0.00 C ATOM 1523 CD2 LEU A 99 24.529 -7.270 -15.425 1.00 0.00 C ATOM 0 H LEU A 99 21.893 -7.074 -11.340 1.00 0.00 H new ATOM 0 HA LEU A 99 22.392 -9.511 -12.661 1.00 0.00 H new ATOM 0 HB2 LEU A 99 22.366 -7.294 -13.773 1.00 0.00 H new ATOM 0 HB3 LEU A 99 23.766 -6.788 -12.848 1.00 0.00 H new ATOM 0 HG LEU A 99 25.121 -8.621 -13.858 1.00 0.00 H new ATOM 0 HD11 LEU A 99 24.165 -9.963 -15.714 1.00 0.00 H new ATOM 0 HD12 LEU A 99 23.278 -10.243 -14.197 1.00 0.00 H new ATOM 0 HD13 LEU A 99 22.582 -9.194 -15.454 1.00 0.00 H new ATOM 0 HD21 LEU A 99 25.184 -7.724 -16.168 1.00 0.00 H new ATOM 0 HD22 LEU A 99 23.608 -6.941 -15.906 1.00 0.00 H new ATOM 0 HD23 LEU A 99 25.030 -6.413 -14.975 1.00 0.00 H new ATOM 1535 N GLY A 100 24.762 -8.423 -10.648 1.00 0.00 N ATOM 1536 CA GLY A 100 25.995 -8.811 -9.979 1.00 0.00 C ATOM 1537 C GLY A 100 25.817 -10.125 -9.227 1.00 0.00 C ATOM 1538 O GLY A 100 26.705 -10.977 -9.226 1.00 0.00 O ATOM 0 H GLY A 100 24.381 -7.525 -10.351 1.00 0.00 H new ATOM 0 HA2 GLY A 100 26.795 -8.913 -10.713 1.00 0.00 H new ATOM 0 HA3 GLY A 100 26.298 -8.028 -9.284 1.00 0.00 H new ATOM 1542 N VAL A 101 24.664 -10.279 -8.584 1.00 0.00 N ATOM 1543 CA VAL A 101 24.385 -11.493 -7.827 1.00 0.00 C ATOM 1544 C VAL A 101 24.365 -12.709 -8.748 1.00 0.00 C ATOM 1545 O VAL A 101 24.968 -13.738 -8.446 1.00 0.00 O ATOM 1546 CB VAL A 101 23.034 -11.363 -7.117 1.00 0.00 C ATOM 1547 CG1 VAL A 101 22.680 -12.690 -6.441 1.00 0.00 C ATOM 1548 CG2 VAL A 101 23.117 -10.260 -6.062 1.00 0.00 C ATOM 0 H VAL A 101 23.915 -9.586 -8.572 1.00 0.00 H new ATOM 0 HA VAL A 101 25.174 -11.628 -7.087 1.00 0.00 H new ATOM 0 HB VAL A 101 22.264 -11.112 -7.847 1.00 0.00 H new ATOM 0 HG11 VAL A 101 21.719 -12.596 -5.936 1.00 0.00 H new ATOM 0 HG12 VAL A 101 22.620 -13.477 -7.193 1.00 0.00 H new ATOM 0 HG13 VAL A 101 23.449 -12.943 -5.712 1.00 0.00 H new ATOM 0 HG21 VAL A 101 22.156 -10.167 -5.556 1.00 0.00 H new ATOM 0 HG22 VAL A 101 23.888 -10.511 -5.333 1.00 0.00 H new ATOM 0 HG23 VAL A 101 23.367 -9.314 -6.543 1.00 0.00 H new ATOM 1558 N ILE A 102 23.659 -12.585 -9.870 1.00 0.00 N ATOM 1559 CA ILE A 102 23.562 -13.686 -10.822 1.00 0.00 C ATOM 1560 C ILE A 102 24.933 -14.038 -11.382 1.00 0.00 C ATOM 1561 O ILE A 102 25.331 -15.201 -11.405 1.00 0.00 O ATOM 1562 CB ILE A 102 22.628 -13.297 -11.967 1.00 0.00 C ATOM 1563 CG1 ILE A 102 21.259 -12.909 -11.401 1.00 0.00 C ATOM 1564 CG2 ILE A 102 22.465 -14.488 -12.916 1.00 0.00 C ATOM 1565 CD1 ILE A 102 20.454 -12.180 -12.476 1.00 0.00 C ATOM 0 H ILE A 102 23.151 -11.742 -10.139 1.00 0.00 H new ATOM 0 HA ILE A 102 23.164 -14.557 -10.302 1.00 0.00 H new ATOM 0 HB ILE A 102 23.051 -12.451 -12.509 1.00 0.00 H new ATOM 0 HG12 ILE A 102 20.724 -13.799 -11.071 1.00 0.00 H new ATOM 0 HG13 ILE A 102 21.382 -12.269 -10.527 1.00 0.00 H new ATOM 0 HG21 ILE A 102 21.799 -14.213 -13.734 1.00 0.00 H new ATOM 0 HG22 ILE A 102 23.438 -14.768 -13.319 1.00 0.00 H new ATOM 0 HG23 ILE A 102 22.042 -15.332 -12.371 1.00 0.00 H new ATOM 0 HD11 ILE A 102 19.479 -11.903 -12.075 1.00 0.00 H new ATOM 0 HD12 ILE A 102 20.988 -11.281 -12.784 1.00 0.00 H new ATOM 0 HD13 ILE A 102 20.320 -12.835 -13.337 1.00 0.00 H new ATOM 1577 N CYS A 103 25.652 -13.024 -11.828 1.00 0.00 N ATOM 1578 CA CYS A 103 26.986 -13.235 -12.388 1.00 0.00 C ATOM 1579 C CYS A 103 27.913 -13.862 -11.351 1.00 0.00 C ATOM 1580 O CYS A 103 28.688 -14.765 -11.662 1.00 0.00 O ATOM 1581 CB CYS A 103 27.575 -11.902 -12.870 1.00 0.00 C ATOM 1582 SG CYS A 103 28.277 -10.989 -11.471 1.00 0.00 S ATOM 0 H CYS A 103 25.343 -12.052 -11.816 1.00 0.00 H new ATOM 0 HA CYS A 103 26.897 -13.916 -13.235 1.00 0.00 H new ATOM 0 HB2 CYS A 103 28.346 -12.086 -13.618 1.00 0.00 H new ATOM 0 HB3 CYS A 103 26.800 -11.306 -13.351 1.00 0.00 H new ATOM 0 HG CYS A 103 27.488 -11.096 -10.443 1.00 0.00 H new ATOM 1588 N ALA A 104 27.833 -13.366 -10.121 1.00 0.00 N ATOM 1589 CA ALA A 104 28.680 -13.870 -9.048 1.00 0.00 C ATOM 1590 C ALA A 104 28.558 -15.384 -8.938 1.00 0.00 C ATOM 1591 O ALA A 104 29.540 -16.077 -8.672 1.00 0.00 O ATOM 1592 CB ALA A 104 28.277 -13.226 -7.719 1.00 0.00 C ATOM 0 H ALA A 104 27.194 -12.620 -9.844 1.00 0.00 H new ATOM 0 HA ALA A 104 29.715 -13.615 -9.276 1.00 0.00 H new ATOM 0 HB1 ALA A 104 28.915 -13.608 -6.922 1.00 0.00 H new ATOM 0 HB2 ALA A 104 28.392 -12.144 -7.789 1.00 0.00 H new ATOM 0 HB3 ALA A 104 27.237 -13.467 -7.499 1.00 0.00 H new ATOM 1598 N ILE A 105 27.350 -15.891 -9.148 1.00 0.00 N ATOM 1599 CA ILE A 105 27.109 -17.327 -9.069 1.00 0.00 C ATOM 1600 C ILE A 105 27.906 -18.060 -10.142 1.00 0.00 C ATOM 1601 O ILE A 105 28.490 -19.108 -9.881 1.00 0.00 O ATOM 1602 CB ILE A 105 25.619 -17.620 -9.244 1.00 0.00 C ATOM 1603 CG1 ILE A 105 24.847 -17.062 -8.046 1.00 0.00 C ATOM 1604 CG2 ILE A 105 25.399 -19.133 -9.328 1.00 0.00 C ATOM 1605 CD1 ILE A 105 23.345 -17.104 -8.337 1.00 0.00 C ATOM 0 H ILE A 105 26.526 -15.334 -9.373 1.00 0.00 H new ATOM 0 HA ILE A 105 27.431 -17.678 -8.089 1.00 0.00 H new ATOM 0 HB ILE A 105 25.263 -17.150 -10.161 1.00 0.00 H new ATOM 0 HG12 ILE A 105 25.071 -17.645 -7.153 1.00 0.00 H new ATOM 0 HG13 ILE A 105 25.160 -16.038 -7.844 1.00 0.00 H new ATOM 0 HG21 ILE A 105 24.336 -19.340 -9.453 1.00 0.00 H new ATOM 0 HG22 ILE A 105 25.949 -19.534 -10.179 1.00 0.00 H new ATOM 0 HG23 ILE A 105 25.755 -19.604 -8.412 1.00 0.00 H new ATOM 0 HD11 ILE A 105 22.798 -16.706 -7.482 1.00 0.00 H new ATOM 0 HD12 ILE A 105 23.128 -16.502 -9.219 1.00 0.00 H new ATOM 0 HD13 ILE A 105 23.038 -18.134 -8.517 1.00 0.00 H new ATOM 1617 N ILE A 106 27.917 -17.506 -11.347 1.00 0.00 N ATOM 1618 CA ILE A 106 28.635 -18.124 -12.456 1.00 0.00 C ATOM 1619 C ILE A 106 30.124 -18.220 -12.138 1.00 0.00 C ATOM 1620 O ILE A 106 30.769 -19.223 -12.441 1.00 0.00 O ATOM 1621 CB ILE A 106 28.434 -17.304 -13.734 1.00 0.00 C ATOM 1622 CG1 ILE A 106 26.970 -17.397 -14.173 1.00 0.00 C ATOM 1623 CG2 ILE A 106 29.332 -17.858 -14.845 1.00 0.00 C ATOM 1624 CD1 ILE A 106 26.706 -16.389 -15.294 1.00 0.00 C ATOM 0 H ILE A 106 27.440 -16.635 -11.582 1.00 0.00 H new ATOM 0 HA ILE A 106 28.240 -19.129 -12.607 1.00 0.00 H new ATOM 0 HB ILE A 106 28.694 -16.263 -13.541 1.00 0.00 H new ATOM 0 HG12 ILE A 106 26.746 -18.407 -14.518 1.00 0.00 H new ATOM 0 HG13 ILE A 106 26.313 -17.196 -13.327 1.00 0.00 H new ATOM 0 HG21 ILE A 106 29.188 -17.274 -15.754 1.00 0.00 H new ATOM 0 HG22 ILE A 106 30.375 -17.796 -14.535 1.00 0.00 H new ATOM 0 HG23 ILE A 106 29.072 -18.899 -15.038 1.00 0.00 H new ATOM 0 HD11 ILE A 106 25.664 -16.456 -15.606 1.00 0.00 H new ATOM 0 HD12 ILE A 106 26.913 -15.381 -14.933 1.00 0.00 H new ATOM 0 HD13 ILE A 106 27.353 -16.611 -16.142 1.00 0.00 H new ATOM 1636 N LEU A 107 30.664 -17.167 -11.547 1.00 0.00 N ATOM 1637 CA LEU A 107 32.084 -17.140 -11.213 1.00 0.00 C ATOM 1638 C LEU A 107 32.437 -18.282 -10.273 1.00 0.00 C ATOM 1639 O LEU A 107 33.511 -18.872 -10.385 1.00 0.00 O ATOM 1640 CB LEU A 107 32.443 -15.791 -10.557 1.00 0.00 C ATOM 1641 CG LEU A 107 32.802 -14.760 -11.633 1.00 0.00 C ATOM 1642 CD1 LEU A 107 31.551 -14.375 -12.416 1.00 0.00 C ATOM 1643 CD2 LEU A 107 33.393 -13.521 -10.966 1.00 0.00 C ATOM 0 H LEU A 107 30.149 -16.325 -11.289 1.00 0.00 H new ATOM 0 HA LEU A 107 32.658 -17.259 -12.132 1.00 0.00 H new ATOM 0 HB2 LEU A 107 31.602 -15.431 -9.964 1.00 0.00 H new ATOM 0 HB3 LEU A 107 33.282 -15.922 -9.874 1.00 0.00 H new ATOM 0 HG LEU A 107 33.533 -15.189 -12.318 1.00 0.00 H new ATOM 0 HD11 LEU A 107 31.811 -13.642 -13.180 1.00 0.00 H new ATOM 0 HD12 LEU A 107 31.132 -15.262 -12.892 1.00 0.00 H new ATOM 0 HD13 LEU A 107 30.814 -13.946 -11.737 1.00 0.00 H new ATOM 0 HD21 LEU A 107 33.650 -12.785 -11.728 1.00 0.00 H new ATOM 0 HD22 LEU A 107 32.662 -13.093 -10.280 1.00 0.00 H new ATOM 0 HD23 LEU A 107 34.290 -13.799 -10.413 1.00 0.00 H new ATOM 1655 N ILE A 108 31.539 -18.581 -9.348 1.00 0.00 N ATOM 1656 CA ILE A 108 31.777 -19.651 -8.390 1.00 0.00 C ATOM 1657 C ILE A 108 31.932 -20.984 -9.119 1.00 0.00 C ATOM 1658 O ILE A 108 32.813 -21.777 -8.797 1.00 0.00 O ATOM 1659 CB ILE A 108 30.612 -19.735 -7.401 1.00 0.00 C ATOM 1660 CG1 ILE A 108 30.607 -18.484 -6.517 1.00 0.00 C ATOM 1661 CG2 ILE A 108 30.770 -20.980 -6.524 1.00 0.00 C ATOM 1662 CD1 ILE A 108 29.334 -18.462 -5.668 1.00 0.00 C ATOM 0 H ILE A 108 30.645 -18.103 -9.240 1.00 0.00 H new ATOM 0 HA ILE A 108 32.696 -19.436 -7.844 1.00 0.00 H new ATOM 0 HB ILE A 108 29.673 -19.799 -7.950 1.00 0.00 H new ATOM 0 HG12 ILE A 108 31.486 -18.478 -5.873 1.00 0.00 H new ATOM 0 HG13 ILE A 108 30.659 -17.588 -7.136 1.00 0.00 H new ATOM 0 HG21 ILE A 108 29.939 -21.037 -5.821 1.00 0.00 H new ATOM 0 HG22 ILE A 108 30.775 -21.870 -7.153 1.00 0.00 H new ATOM 0 HG23 ILE A 108 31.708 -20.920 -5.973 1.00 0.00 H new ATOM 0 HD11 ILE A 108 29.331 -17.572 -5.039 1.00 0.00 H new ATOM 0 HD12 ILE A 108 28.461 -18.448 -6.321 1.00 0.00 H new ATOM 0 HD13 ILE A 108 29.301 -19.351 -5.038 1.00 0.00 H new ATOM 1674 N ILE A 109 31.072 -21.223 -10.099 1.00 0.00 N ATOM 1675 CA ILE A 109 31.127 -22.466 -10.861 1.00 0.00 C ATOM 1676 C ILE A 109 32.439 -22.565 -11.623 1.00 0.00 C ATOM 1677 O ILE A 109 33.068 -23.623 -11.655 1.00 0.00 O ATOM 1678 CB ILE A 109 29.955 -22.524 -11.847 1.00 0.00 C ATOM 1679 CG1 ILE A 109 28.642 -22.277 -11.095 1.00 0.00 C ATOM 1680 CG2 ILE A 109 29.908 -23.902 -12.508 1.00 0.00 C ATOM 1681 CD1 ILE A 109 28.510 -23.261 -9.926 1.00 0.00 C ATOM 0 H ILE A 109 30.333 -20.580 -10.385 1.00 0.00 H new ATOM 0 HA ILE A 109 31.059 -23.303 -10.166 1.00 0.00 H new ATOM 0 HB ILE A 109 30.088 -21.759 -12.612 1.00 0.00 H new ATOM 0 HG12 ILE A 109 28.614 -21.253 -10.723 1.00 0.00 H new ATOM 0 HG13 ILE A 109 27.798 -22.392 -11.775 1.00 0.00 H new ATOM 0 HG21 ILE A 109 29.074 -23.941 -13.209 1.00 0.00 H new ATOM 0 HG22 ILE A 109 30.840 -24.081 -13.043 1.00 0.00 H new ATOM 0 HG23 ILE A 109 29.776 -24.668 -11.744 1.00 0.00 H new ATOM 0 HD11 ILE A 109 27.574 -23.076 -9.399 1.00 0.00 H new ATOM 0 HD12 ILE A 109 28.517 -24.282 -10.307 1.00 0.00 H new ATOM 0 HD13 ILE A 109 29.346 -23.125 -9.240 1.00 0.00 H new ATOM 1693 N ILE A 110 32.846 -21.462 -12.237 1.00 0.00 N ATOM 1694 CA ILE A 110 34.087 -21.440 -13.002 1.00 0.00 C ATOM 1695 C ILE A 110 35.278 -21.708 -12.085 1.00 0.00 C ATOM 1696 O ILE A 110 36.183 -22.465 -12.432 1.00 0.00 O ATOM 1697 CB ILE A 110 34.255 -20.079 -13.681 1.00 0.00 C ATOM 1698 CG1 ILE A 110 33.175 -19.910 -14.752 1.00 0.00 C ATOM 1699 CG2 ILE A 110 35.637 -20.002 -14.340 1.00 0.00 C ATOM 1700 CD1 ILE A 110 33.165 -18.461 -15.243 1.00 0.00 C ATOM 0 H ILE A 110 32.340 -20.577 -12.221 1.00 0.00 H new ATOM 0 HA ILE A 110 34.044 -22.220 -13.762 1.00 0.00 H new ATOM 0 HB ILE A 110 34.162 -19.288 -12.937 1.00 0.00 H new ATOM 0 HG12 ILE A 110 33.365 -20.586 -15.585 1.00 0.00 H new ATOM 0 HG13 ILE A 110 32.199 -20.174 -14.344 1.00 0.00 H new ATOM 0 HG21 ILE A 110 35.756 -19.032 -14.823 1.00 0.00 H new ATOM 0 HG22 ILE A 110 36.409 -20.126 -13.581 1.00 0.00 H new ATOM 0 HG23 ILE A 110 35.730 -20.793 -15.085 1.00 0.00 H new ATOM 0 HD11 ILE A 110 32.396 -18.341 -16.006 1.00 0.00 H new ATOM 0 HD12 ILE A 110 32.954 -17.795 -14.406 1.00 0.00 H new ATOM 0 HD13 ILE A 110 34.138 -18.214 -15.667 1.00 0.00 H new ATOM 1712 N ILE A 111 35.272 -21.077 -10.917 1.00 0.00 N ATOM 1713 CA ILE A 111 36.361 -21.256 -9.966 1.00 0.00 C ATOM 1714 C ILE A 111 36.430 -22.701 -9.493 1.00 0.00 C ATOM 1715 O ILE A 111 37.511 -23.282 -9.407 1.00 0.00 O ATOM 1716 CB ILE A 111 36.156 -20.326 -8.763 1.00 0.00 C ATOM 1717 CG1 ILE A 111 36.330 -18.863 -9.203 1.00 0.00 C ATOM 1718 CG2 ILE A 111 37.185 -20.663 -7.669 1.00 0.00 C ATOM 1719 CD1 ILE A 111 37.819 -18.478 -9.188 1.00 0.00 C ATOM 0 H ILE A 111 34.534 -20.444 -10.608 1.00 0.00 H new ATOM 0 HA ILE A 111 37.299 -21.009 -10.462 1.00 0.00 H new ATOM 0 HB ILE A 111 35.150 -20.465 -8.368 1.00 0.00 H new ATOM 0 HG12 ILE A 111 35.921 -18.726 -10.204 1.00 0.00 H new ATOM 0 HG13 ILE A 111 35.770 -18.206 -8.537 1.00 0.00 H new ATOM 0 HG21 ILE A 111 37.038 -20.002 -6.815 1.00 0.00 H new ATOM 0 HG22 ILE A 111 37.054 -21.698 -7.353 1.00 0.00 H new ATOM 0 HG23 ILE A 111 38.192 -20.528 -8.063 1.00 0.00 H new ATOM 0 HD11 ILE A 111 37.930 -17.440 -9.501 1.00 0.00 H new ATOM 0 HD12 ILE A 111 38.215 -18.597 -8.180 1.00 0.00 H new ATOM 0 HD13 ILE A 111 38.369 -19.124 -9.872 1.00 0.00 H new ATOM 1731 N VAL A 112 35.274 -23.271 -9.186 1.00 0.00 N ATOM 1732 CA VAL A 112 35.211 -24.648 -8.721 1.00 0.00 C ATOM 1733 C VAL A 112 35.610 -25.604 -9.840 1.00 0.00 C ATOM 1734 O VAL A 112 36.352 -26.560 -9.618 1.00 0.00 O ATOM 1735 CB VAL A 112 33.798 -24.974 -8.238 1.00 0.00 C ATOM 1736 CG1 VAL A 112 33.703 -26.463 -7.897 1.00 0.00 C ATOM 1737 CG2 VAL A 112 33.482 -24.145 -6.988 1.00 0.00 C ATOM 0 H VAL A 112 34.370 -22.803 -9.250 1.00 0.00 H new ATOM 0 HA VAL A 112 35.908 -24.768 -7.891 1.00 0.00 H new ATOM 0 HB VAL A 112 33.083 -24.736 -9.025 1.00 0.00 H new ATOM 0 HG11 VAL A 112 32.695 -26.694 -7.553 1.00 0.00 H new ATOM 0 HG12 VAL A 112 33.928 -27.055 -8.784 1.00 0.00 H new ATOM 0 HG13 VAL A 112 34.419 -26.703 -7.111 1.00 0.00 H new ATOM 0 HG21 VAL A 112 32.474 -24.377 -6.643 1.00 0.00 H new ATOM 0 HG22 VAL A 112 34.199 -24.384 -6.202 1.00 0.00 H new ATOM 0 HG23 VAL A 112 33.548 -23.084 -7.229 1.00 0.00 H new ATOM 1747 N TYR A 113 35.104 -25.342 -11.039 1.00 0.00 N ATOM 1748 CA TYR A 113 35.404 -26.188 -12.184 1.00 0.00 C ATOM 1749 C TYR A 113 36.901 -26.207 -12.464 1.00 0.00 C ATOM 1750 O TYR A 113 37.480 -27.257 -12.746 1.00 0.00 O ATOM 1751 CB TYR A 113 34.651 -25.690 -13.420 1.00 0.00 C ATOM 1752 CG TYR A 113 35.040 -26.521 -14.621 1.00 0.00 C ATOM 1753 CD1 TYR A 113 34.484 -27.795 -14.799 1.00 0.00 C ATOM 1754 CD2 TYR A 113 35.956 -26.020 -15.552 1.00 0.00 C ATOM 1755 CE1 TYR A 113 34.846 -28.565 -15.910 1.00 0.00 C ATOM 1756 CE2 TYR A 113 36.319 -26.791 -16.662 1.00 0.00 C ATOM 1757 CZ TYR A 113 35.763 -28.063 -16.841 1.00 0.00 C ATOM 1758 OH TYR A 113 36.120 -28.824 -17.936 1.00 0.00 O ATOM 0 H TYR A 113 34.488 -24.555 -11.242 1.00 0.00 H new ATOM 0 HA TYR A 113 35.081 -27.203 -11.952 1.00 0.00 H new ATOM 0 HB2 TYR A 113 33.576 -25.755 -13.254 1.00 0.00 H new ATOM 0 HB3 TYR A 113 34.883 -24.640 -13.601 1.00 0.00 H new ATOM 0 HD1 TYR A 113 33.777 -28.182 -14.080 1.00 0.00 H new ATOM 0 HD2 TYR A 113 36.383 -25.038 -15.414 1.00 0.00 H new ATOM 0 HE1 TYR A 113 34.418 -29.547 -16.049 1.00 0.00 H new ATOM 0 HE2 TYR A 113 37.028 -26.405 -17.380 1.00 0.00 H new ATOM 0 HH TYR A 113 36.765 -28.328 -18.483 1.00 0.00 H new ATOM 1768 N PHE A 114 37.519 -25.040 -12.384 1.00 0.00 N ATOM 1769 CA PHE A 114 38.952 -24.923 -12.630 1.00 0.00 C ATOM 1770 C PHE A 114 39.735 -25.797 -11.659 1.00 0.00 C ATOM 1771 O PHE A 114 40.662 -26.504 -12.050 1.00 0.00 O ATOM 1772 CB PHE A 114 39.394 -23.465 -12.486 1.00 0.00 C ATOM 1773 CG PHE A 114 40.876 -23.360 -12.764 1.00 0.00 C ATOM 1774 CD1 PHE A 114 41.349 -23.456 -14.079 1.00 0.00 C ATOM 1775 CD2 PHE A 114 41.776 -23.167 -11.709 1.00 0.00 C ATOM 1776 CE1 PHE A 114 42.721 -23.358 -14.337 1.00 0.00 C ATOM 1777 CE2 PHE A 114 43.147 -23.070 -11.968 1.00 0.00 C ATOM 1778 CZ PHE A 114 43.620 -23.165 -13.281 1.00 0.00 C ATOM 0 H PHE A 114 37.055 -24.162 -12.152 1.00 0.00 H new ATOM 0 HA PHE A 114 39.155 -25.260 -13.647 1.00 0.00 H new ATOM 0 HB2 PHE A 114 38.837 -22.835 -13.179 1.00 0.00 H new ATOM 0 HB3 PHE A 114 39.175 -23.105 -11.481 1.00 0.00 H new ATOM 0 HD1 PHE A 114 40.655 -23.606 -14.893 1.00 0.00 H new ATOM 0 HD2 PHE A 114 41.412 -23.093 -10.695 1.00 0.00 H new ATOM 0 HE1 PHE A 114 43.086 -23.431 -15.351 1.00 0.00 H new ATOM 0 HE2 PHE A 114 43.841 -22.922 -11.154 1.00 0.00 H new ATOM 0 HZ PHE A 114 44.679 -23.089 -13.480 1.00 0.00 H new ATOM 1788 N SER A 115 39.348 -25.749 -10.394 1.00 0.00 N ATOM 1789 CA SER A 115 40.011 -26.542 -9.366 1.00 0.00 C ATOM 1790 C SER A 115 39.849 -28.032 -9.650 1.00 0.00 C ATOM 1791 O SER A 115 40.793 -28.809 -9.505 1.00 0.00 O ATOM 1792 CB SER A 115 39.435 -26.215 -7.988 1.00 0.00 C ATOM 1793 OG SER A 115 39.841 -27.213 -7.061 1.00 0.00 O ATOM 0 H SER A 115 38.580 -25.171 -10.053 1.00 0.00 H new ATOM 0 HA SER A 115 41.072 -26.294 -9.377 1.00 0.00 H new ATOM 0 HB2 SER A 115 39.781 -25.235 -7.660 1.00 0.00 H new ATOM 0 HB3 SER A 115 38.347 -26.169 -8.037 1.00 0.00 H new ATOM 0 HG SER A 115 39.475 -27.006 -6.176 1.00 0.00 H new ATOM 1799 N THR A 116 38.647 -28.419 -10.055 1.00 0.00 N ATOM 1800 CA THR A 116 38.364 -29.813 -10.357 1.00 0.00 C ATOM 1801 C THR A 116 37.040 -29.949 -11.103 1.00 0.00 C ATOM 1802 O THR A 116 36.918 -30.874 -11.893 1.00 0.00 O ATOM 1803 CB THR A 116 38.305 -30.628 -9.062 1.00 0.00 C ATOM 1804 OG1 THR A 116 38.197 -32.011 -9.376 1.00 0.00 O ATOM 1805 CG2 THR A 116 37.094 -30.194 -8.237 1.00 0.00 C ATOM 1806 OXT THR A 116 36.169 -29.129 -10.874 1.00 0.00 O ATOM 0 H THR A 116 37.855 -27.788 -10.181 1.00 0.00 H new ATOM 0 HA THR A 116 39.165 -30.192 -10.992 1.00 0.00 H new ATOM 0 HB THR A 116 39.214 -30.457 -8.485 1.00 0.00 H new ATOM 0 HG1 THR A 116 38.161 -32.533 -8.547 1.00 0.00 H new ATOM 0 HG21 THR A 116 37.054 -30.775 -7.316 1.00 0.00 H new ATOM 0 HG22 THR A 116 37.180 -29.135 -7.994 1.00 0.00 H new ATOM 0 HG23 THR A 116 36.183 -30.362 -8.812 1.00 0.00 H new