USER MOD reduce.3.24.130724 H: found=0, std=0, add=416, rem=0, adj=13 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= -0.155 X(o=-0.15,f=-0.18) USER MOD Single : A 46 MET CE :methyl 174:sc= 0 (180deg=-0.0211) USER MOD Single : A 49 ASN :FLIP amide:sc= -2.12 F(o=-3.6!,f=-2.1) USER MOD Single : A 52 LYS NZ :NH3+ -161:sc= -0.0813 (180deg=-0.533) USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 SER OG : rot 180:sc= -0.0265 USER MOD Single : A 83 LYS NZ :NH3+ -120:sc= -1.33 (180deg=-3.57!) USER MOD Single : A 85 LYS NZ :NH3+ 160:sc= -0.0641 (180deg=-0.477) USER MOD Single : A 94 LYS NZ :NH3+ -147:sc= -0.0601 (180deg=-0.617) USER MOD Single : A 95 MET CE :methyl 151:sc= -0.077 (180deg=-0.667) USER MOD Single : A 96 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 103 CYS SG : rot -26:sc= -0.277 USER MOD Single : A 113 TYR OH : rot 180:sc= 0 USER MOD Single : A 115 SER OG : rot -29:sc= 1.08 USER MOD Single : A 116 THR OG1 : rot 59:sc= 0.0756 USER MOD ----------------------------------------------------------------- ATOM 505 N GLN A 38 -9.517 24.209 5.950 1.00 0.00 N ATOM 506 CA GLN A 38 -8.681 24.516 7.106 1.00 0.00 C ATOM 507 C GLN A 38 -7.889 23.285 7.530 1.00 0.00 C ATOM 508 O GLN A 38 -6.720 23.385 7.904 1.00 0.00 O ATOM 509 CB GLN A 38 -9.552 24.991 8.270 1.00 0.00 C ATOM 510 CG GLN A 38 -10.319 26.251 7.857 1.00 0.00 C ATOM 511 CD GLN A 38 -9.345 27.390 7.580 1.00 0.00 C ATOM 512 OE1 GLN A 38 -8.534 27.737 8.440 1.00 0.00 O ATOM 513 NE2 GLN A 38 -9.368 27.991 6.421 1.00 0.00 N ATOM 0 HA GLN A 38 -7.984 25.308 6.830 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -10.251 24.206 8.559 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -8.931 25.200 9.141 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -10.915 26.048 6.968 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -11.013 26.539 8.647 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -10.040 27.702 5.710 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -8.714 28.749 6.227 1.00 0.00 H new ATOM 522 N VAL A 39 -8.532 22.125 7.478 1.00 0.00 N ATOM 523 CA VAL A 39 -7.878 20.879 7.860 1.00 0.00 C ATOM 524 C VAL A 39 -6.752 20.548 6.884 1.00 0.00 C ATOM 525 O VAL A 39 -5.667 20.131 7.290 1.00 0.00 O ATOM 526 CB VAL A 39 -8.895 19.737 7.881 1.00 0.00 C ATOM 527 CG1 VAL A 39 -8.197 18.438 8.289 1.00 0.00 C ATOM 528 CG2 VAL A 39 -10.003 20.059 8.884 1.00 0.00 C ATOM 0 H VAL A 39 -9.501 22.021 7.177 1.00 0.00 H new ATOM 0 HA VAL A 39 -7.456 21.002 8.857 1.00 0.00 H new ATOM 0 HB VAL A 39 -9.328 19.619 6.888 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -8.922 17.624 8.304 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -7.408 18.208 7.573 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -7.762 18.555 9.282 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -10.728 19.245 8.899 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -9.571 20.179 9.878 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -10.501 20.983 8.591 1.00 0.00 H new ATOM 538 N ASP A 40 -7.022 20.729 5.596 1.00 0.00 N ATOM 539 CA ASP A 40 -6.030 20.439 4.568 1.00 0.00 C ATOM 540 C ASP A 40 -4.837 21.381 4.697 1.00 0.00 C ATOM 541 O ASP A 40 -3.757 21.095 4.193 1.00 0.00 O ATOM 542 CB ASP A 40 -6.653 20.595 3.179 1.00 0.00 C ATOM 543 CG ASP A 40 -7.638 19.459 2.919 1.00 0.00 C ATOM 544 OD1 ASP A 40 -7.602 18.490 3.660 1.00 0.00 O ATOM 545 OD2 ASP A 40 -8.412 19.576 1.984 1.00 0.00 O ATOM 0 H ASP A 40 -7.914 21.073 5.241 1.00 0.00 H new ATOM 0 HA ASP A 40 -5.688 19.412 4.700 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -7.165 21.555 3.106 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -5.872 20.592 2.419 1.00 0.00 H new ATOM 550 N GLU A 41 -5.046 22.502 5.378 1.00 0.00 N ATOM 551 CA GLU A 41 -3.980 23.481 5.567 1.00 0.00 C ATOM 552 C GLU A 41 -2.854 22.888 6.410 1.00 0.00 C ATOM 553 O GLU A 41 -1.687 23.244 6.242 1.00 0.00 O ATOM 554 CB GLU A 41 -4.532 24.731 6.254 1.00 0.00 C ATOM 555 CG GLU A 41 -3.491 25.850 6.195 1.00 0.00 C ATOM 556 CD GLU A 41 -3.371 26.372 4.767 1.00 0.00 C ATOM 557 OE1 GLU A 41 -4.162 25.956 3.937 1.00 0.00 O ATOM 558 OE2 GLU A 41 -2.489 27.178 4.526 1.00 0.00 O ATOM 0 H GLU A 41 -5.937 22.755 5.806 1.00 0.00 H new ATOM 0 HA GLU A 41 -3.583 23.752 4.589 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -5.452 25.051 5.765 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -4.783 24.508 7.291 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -3.777 26.661 6.865 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -2.525 25.479 6.538 1.00 0.00 H new ATOM 565 N VAL A 42 -3.212 21.988 7.318 1.00 0.00 N ATOM 566 CA VAL A 42 -2.224 21.355 8.183 1.00 0.00 C ATOM 567 C VAL A 42 -1.231 20.544 7.358 1.00 0.00 C ATOM 568 O VAL A 42 -0.170 20.159 7.847 1.00 0.00 O ATOM 569 CB VAL A 42 -2.922 20.442 9.195 1.00 0.00 C ATOM 570 CG1 VAL A 42 -1.877 19.801 10.113 1.00 0.00 C ATOM 571 CG2 VAL A 42 -3.901 21.267 10.035 1.00 0.00 C ATOM 0 H VAL A 42 -4.172 21.682 7.474 1.00 0.00 H new ATOM 0 HA VAL A 42 -1.681 22.136 8.716 1.00 0.00 H new ATOM 0 HB VAL A 42 -3.466 19.661 8.664 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -2.375 19.151 10.833 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -1.179 19.214 9.516 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -1.332 20.581 10.644 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -4.398 20.618 10.756 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -3.357 22.048 10.565 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -4.646 21.723 9.383 1.00 0.00 H new ATOM 581 N VAL A 43 -1.587 20.279 6.106 1.00 0.00 N ATOM 582 CA VAL A 43 -0.720 19.502 5.228 1.00 0.00 C ATOM 583 C VAL A 43 0.644 20.170 5.094 1.00 0.00 C ATOM 584 O VAL A 43 1.678 19.513 5.159 1.00 0.00 O ATOM 585 CB VAL A 43 -1.363 19.379 3.842 1.00 0.00 C ATOM 586 CG1 VAL A 43 -1.257 20.708 3.090 1.00 0.00 C ATOM 587 CG2 VAL A 43 -0.655 18.281 3.044 1.00 0.00 C ATOM 0 H VAL A 43 -2.461 20.587 5.679 1.00 0.00 H new ATOM 0 HA VAL A 43 -0.587 18.511 5.662 1.00 0.00 H new ATOM 0 HB VAL A 43 -2.416 19.123 3.962 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -1.717 20.608 2.107 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -1.771 21.487 3.653 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -0.207 20.977 2.973 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -1.113 18.194 2.059 1.00 0.00 H new ATOM 0 HG22 VAL A 43 0.399 18.534 2.933 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -0.747 17.331 3.571 1.00 0.00 H new ATOM 597 N ASP A 44 0.630 21.482 4.907 1.00 0.00 N ATOM 598 CA ASP A 44 1.870 22.241 4.758 1.00 0.00 C ATOM 599 C ASP A 44 2.798 21.973 5.936 1.00 0.00 C ATOM 600 O ASP A 44 4.003 21.812 5.764 1.00 0.00 O ATOM 601 CB ASP A 44 1.569 23.738 4.675 1.00 0.00 C ATOM 602 CG ASP A 44 2.826 24.500 4.264 1.00 0.00 C ATOM 603 OD1 ASP A 44 3.767 23.860 3.824 1.00 0.00 O ATOM 604 OD2 ASP A 44 2.828 25.713 4.395 1.00 0.00 O ATOM 0 H ASP A 44 -0.220 22.043 4.855 1.00 0.00 H new ATOM 0 HA ASP A 44 2.359 21.923 3.837 1.00 0.00 H new ATOM 0 HB2 ASP A 44 0.772 23.918 3.953 1.00 0.00 H new ATOM 0 HB3 ASP A 44 1.213 24.100 5.640 1.00 0.00 H new ATOM 609 N ILE A 45 2.224 21.918 7.132 1.00 0.00 N ATOM 610 CA ILE A 45 3.008 21.663 8.337 1.00 0.00 C ATOM 611 C ILE A 45 3.640 20.280 8.282 1.00 0.00 C ATOM 612 O ILE A 45 4.795 20.099 8.662 1.00 0.00 O ATOM 613 CB ILE A 45 2.114 21.775 9.574 1.00 0.00 C ATOM 614 CG1 ILE A 45 1.366 23.113 9.545 1.00 0.00 C ATOM 615 CG2 ILE A 45 2.979 21.707 10.838 1.00 0.00 C ATOM 616 CD1 ILE A 45 2.361 24.272 9.399 1.00 0.00 C ATOM 0 H ILE A 45 1.225 22.045 7.294 1.00 0.00 H new ATOM 0 HA ILE A 45 3.802 22.407 8.397 1.00 0.00 H new ATOM 0 HB ILE A 45 1.396 20.955 9.577 1.00 0.00 H new ATOM 0 HG12 ILE A 45 0.658 23.125 8.716 1.00 0.00 H new ATOM 0 HG13 ILE A 45 0.787 23.234 10.460 1.00 0.00 H new ATOM 0 HG21 ILE A 45 2.342 21.787 11.719 1.00 0.00 H new ATOM 0 HG22 ILE A 45 3.514 20.758 10.862 1.00 0.00 H new ATOM 0 HG23 ILE A 45 3.696 22.528 10.833 1.00 0.00 H new ATOM 0 HD11 ILE A 45 1.818 25.217 9.380 1.00 0.00 H new ATOM 0 HD12 ILE A 45 3.051 24.267 10.242 1.00 0.00 H new ATOM 0 HD13 ILE A 45 2.921 24.156 8.471 1.00 0.00 H new ATOM 628 N MET A 46 2.868 19.302 7.830 1.00 0.00 N ATOM 629 CA MET A 46 3.358 17.933 7.742 1.00 0.00 C ATOM 630 C MET A 46 4.466 17.825 6.697 1.00 0.00 C ATOM 631 O MET A 46 5.415 17.059 6.857 1.00 0.00 O ATOM 632 CB MET A 46 2.213 16.988 7.379 1.00 0.00 C ATOM 633 CG MET A 46 2.726 15.546 7.361 1.00 0.00 C ATOM 634 SD MET A 46 1.338 14.418 7.073 1.00 0.00 S ATOM 635 CE MET A 46 1.302 14.553 5.270 1.00 0.00 C ATOM 0 H MET A 46 1.905 19.429 7.520 1.00 0.00 H new ATOM 0 HA MET A 46 3.764 17.650 8.713 1.00 0.00 H new ATOM 0 HB2 MET A 46 1.403 17.088 8.101 1.00 0.00 H new ATOM 0 HB3 MET A 46 1.805 17.252 6.403 1.00 0.00 H new ATOM 0 HG2 MET A 46 3.476 15.425 6.579 1.00 0.00 H new ATOM 0 HG3 MET A 46 3.211 15.309 8.308 1.00 0.00 H new ATOM 0 HE1 MET A 46 0.577 13.847 4.867 1.00 0.00 H new ATOM 0 HE2 MET A 46 1.018 15.566 4.987 1.00 0.00 H new ATOM 0 HE3 MET A 46 2.290 14.328 4.868 1.00 0.00 H new ATOM 645 N ARG A 47 4.326 18.581 5.612 1.00 0.00 N ATOM 646 CA ARG A 47 5.315 18.545 4.544 1.00 0.00 C ATOM 647 C ARG A 47 6.691 18.960 5.055 1.00 0.00 C ATOM 648 O ARG A 47 7.685 18.282 4.796 1.00 0.00 O ATOM 649 CB ARG A 47 4.891 19.486 3.411 1.00 0.00 C ATOM 650 CG ARG A 47 3.717 18.876 2.646 1.00 0.00 C ATOM 651 CD ARG A 47 3.294 19.821 1.519 1.00 0.00 C ATOM 652 NE ARG A 47 2.185 19.245 0.768 1.00 0.00 N ATOM 653 CZ ARG A 47 1.567 19.936 -0.185 1.00 0.00 C ATOM 654 NH1 ARG A 47 1.949 21.153 -0.459 1.00 0.00 N ATOM 655 NH2 ARG A 47 0.578 19.398 -0.845 1.00 0.00 N ATOM 0 H ARG A 47 3.546 19.219 5.451 1.00 0.00 H new ATOM 0 HA ARG A 47 5.375 17.522 4.174 1.00 0.00 H new ATOM 0 HB2 ARG A 47 4.607 20.456 3.818 1.00 0.00 H new ATOM 0 HB3 ARG A 47 5.729 19.657 2.735 1.00 0.00 H new ATOM 0 HG2 ARG A 47 4.001 17.907 2.235 1.00 0.00 H new ATOM 0 HG3 ARG A 47 2.880 18.702 3.322 1.00 0.00 H new ATOM 0 HD2 ARG A 47 3.000 20.785 1.934 1.00 0.00 H new ATOM 0 HD3 ARG A 47 4.137 20.005 0.853 1.00 0.00 H new ATOM 0 HE ARG A 47 1.878 18.295 0.977 1.00 0.00 H new ATOM 0 HH11 ARG A 47 2.721 21.574 0.058 1.00 0.00 H new ATOM 0 HH12 ARG A 47 1.475 21.684 -1.190 1.00 0.00 H new ATOM 0 HH21 ARG A 47 0.279 18.447 -0.630 1.00 0.00 H new ATOM 0 HH22 ARG A 47 0.104 19.929 -1.576 1.00 0.00 H new ATOM 669 N VAL A 48 6.747 20.073 5.786 1.00 0.00 N ATOM 670 CA VAL A 48 7.996 20.558 6.323 1.00 0.00 C ATOM 671 C VAL A 48 8.495 19.651 7.443 1.00 0.00 C ATOM 672 O VAL A 48 9.696 19.568 7.693 1.00 0.00 O ATOM 673 CB VAL A 48 7.809 21.979 6.850 1.00 0.00 C ATOM 674 CG1 VAL A 48 7.503 22.927 5.690 1.00 0.00 C ATOM 675 CG2 VAL A 48 6.655 22.008 7.850 1.00 0.00 C ATOM 0 H VAL A 48 5.936 20.648 6.014 1.00 0.00 H new ATOM 0 HA VAL A 48 8.740 20.558 5.526 1.00 0.00 H new ATOM 0 HB VAL A 48 8.726 22.300 7.344 1.00 0.00 H new ATOM 0 HG11 VAL A 48 7.371 23.939 6.072 1.00 0.00 H new ATOM 0 HG12 VAL A 48 8.330 22.913 4.980 1.00 0.00 H new ATOM 0 HG13 VAL A 48 6.590 22.606 5.189 1.00 0.00 H new ATOM 0 HG21 VAL A 48 6.524 23.023 8.225 1.00 0.00 H new ATOM 0 HG22 VAL A 48 5.739 21.681 7.358 1.00 0.00 H new ATOM 0 HG23 VAL A 48 6.878 21.340 8.682 1.00 0.00 H new ATOM 685 N ASN A 49 7.566 18.981 8.112 1.00 0.00 N ATOM 686 CA ASN A 49 7.921 18.085 9.208 1.00 0.00 C ATOM 687 C ASN A 49 8.780 16.934 8.698 1.00 0.00 C ATOM 688 O ASN A 49 9.697 16.486 9.382 1.00 0.00 O ATOM 689 CB ASN A 49 6.659 17.536 9.868 1.00 0.00 C ATOM 690 CG ASN A 49 5.946 18.643 10.641 1.00 0.00 C ATOM 691 OD1 ASN A 49 6.534 19.799 10.800 1.00 0.00 O flip ATOM 692 ND2 ASN A 49 4.822 18.453 11.103 1.00 0.00 N flip ATOM 0 H ASN A 49 6.566 19.039 7.918 1.00 0.00 H new ATOM 0 HA ASN A 49 8.492 18.650 9.945 1.00 0.00 H new ATOM 0 HB2 ASN A 49 5.993 17.124 9.110 1.00 0.00 H new ATOM 0 HB3 ASN A 49 6.918 16.720 10.542 1.00 0.00 H new ATOM 0 HD21 ASN A 49 4.365 17.550 10.978 1.00 0.00 H new ATOM 0 HD22 ASN A 49 4.347 19.199 11.612 1.00 0.00 H new ATOM 699 N VAL A 50 8.473 16.464 7.497 1.00 0.00 N ATOM 700 CA VAL A 50 9.222 15.367 6.896 1.00 0.00 C ATOM 701 C VAL A 50 10.676 15.768 6.677 1.00 0.00 C ATOM 702 O VAL A 50 11.592 14.963 6.835 1.00 0.00 O ATOM 703 CB VAL A 50 8.584 14.950 5.572 1.00 0.00 C ATOM 704 CG1 VAL A 50 9.449 13.881 4.898 1.00 0.00 C ATOM 705 CG2 VAL A 50 7.189 14.379 5.836 1.00 0.00 C ATOM 0 H VAL A 50 7.713 16.823 6.920 1.00 0.00 H new ATOM 0 HA VAL A 50 9.196 14.518 7.580 1.00 0.00 H new ATOM 0 HB VAL A 50 8.507 15.820 4.919 1.00 0.00 H new ATOM 0 HG11 VAL A 50 8.992 13.585 3.954 1.00 0.00 H new ATOM 0 HG12 VAL A 50 10.444 14.284 4.709 1.00 0.00 H new ATOM 0 HG13 VAL A 50 9.528 13.012 5.551 1.00 0.00 H new ATOM 0 HG21 VAL A 50 6.733 14.081 4.892 1.00 0.00 H new ATOM 0 HG22 VAL A 50 7.269 13.511 6.490 1.00 0.00 H new ATOM 0 HG23 VAL A 50 6.570 15.138 6.314 1.00 0.00 H new ATOM 715 N ASP A 51 10.873 17.007 6.270 1.00 0.00 N ATOM 716 CA ASP A 51 12.218 17.514 6.009 1.00 0.00 C ATOM 717 C ASP A 51 12.991 17.700 7.310 1.00 0.00 C ATOM 718 O ASP A 51 14.205 17.497 7.360 1.00 0.00 O ATOM 719 CB ASP A 51 12.146 18.847 5.259 1.00 0.00 C ATOM 720 CG ASP A 51 11.657 18.619 3.833 1.00 0.00 C ATOM 721 OD1 ASP A 51 11.596 17.473 3.426 1.00 0.00 O ATOM 722 OD2 ASP A 51 11.349 19.597 3.172 1.00 0.00 O ATOM 0 H ASP A 51 10.126 17.683 6.112 1.00 0.00 H new ATOM 0 HA ASP A 51 12.741 16.782 5.394 1.00 0.00 H new ATOM 0 HB2 ASP A 51 11.473 19.529 5.778 1.00 0.00 H new ATOM 0 HB3 ASP A 51 13.129 19.318 5.244 1.00 0.00 H new ATOM 727 N LYS A 52 12.283 18.106 8.361 1.00 0.00 N ATOM 728 CA LYS A 52 12.912 18.330 9.655 1.00 0.00 C ATOM 729 C LYS A 52 13.436 17.025 10.239 1.00 0.00 C ATOM 730 O LYS A 52 14.572 16.957 10.710 1.00 0.00 O ATOM 731 CB LYS A 52 11.906 18.959 10.620 1.00 0.00 C ATOM 732 CG LYS A 52 11.628 20.406 10.207 1.00 0.00 C ATOM 733 CD LYS A 52 10.577 21.010 11.140 1.00 0.00 C ATOM 734 CE LYS A 52 10.276 22.448 10.710 1.00 0.00 C ATOM 735 NZ LYS A 52 11.510 23.274 10.844 1.00 0.00 N ATOM 0 H LYS A 52 11.279 18.285 8.340 1.00 0.00 H new ATOM 0 HA LYS A 52 13.754 19.007 9.513 1.00 0.00 H new ATOM 0 HB2 LYS A 52 10.979 18.386 10.618 1.00 0.00 H new ATOM 0 HB3 LYS A 52 12.297 18.930 11.637 1.00 0.00 H new ATOM 0 HG2 LYS A 52 12.547 20.991 10.250 1.00 0.00 H new ATOM 0 HG3 LYS A 52 11.277 20.440 9.176 1.00 0.00 H new ATOM 0 HD2 LYS A 52 9.665 20.413 11.113 1.00 0.00 H new ATOM 0 HD3 LYS A 52 10.937 20.995 12.169 1.00 0.00 H new ATOM 0 HE2 LYS A 52 9.924 22.465 9.678 1.00 0.00 H new ATOM 0 HE3 LYS A 52 9.478 22.864 11.325 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 11.252 24.281 10.870 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 12.004 23.020 11.723 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 12.136 23.097 10.032 1.00 0.00 H new ATOM 1144 N THR A 79 29.987 12.060 -16.036 1.00 0.00 N ATOM 1145 CA THR A 79 28.940 12.762 -16.771 1.00 0.00 C ATOM 1146 C THR A 79 27.844 11.790 -17.195 1.00 0.00 C ATOM 1147 O THR A 79 26.670 12.152 -17.255 1.00 0.00 O ATOM 1148 CB THR A 79 29.534 13.436 -18.014 1.00 0.00 C ATOM 1149 OG1 THR A 79 28.521 13.585 -18.998 1.00 0.00 O ATOM 1150 CG2 THR A 79 30.666 12.572 -18.575 1.00 0.00 C ATOM 0 HA THR A 79 28.509 13.520 -16.118 1.00 0.00 H new ATOM 0 HB THR A 79 29.927 14.416 -17.743 1.00 0.00 H new ATOM 0 HG1 THR A 79 28.898 14.017 -19.793 1.00 0.00 H new ATOM 0 HG21 THR A 79 31.087 13.052 -19.458 1.00 0.00 H new ATOM 0 HG22 THR A 79 31.443 12.456 -17.820 1.00 0.00 H new ATOM 0 HG23 THR A 79 30.275 11.592 -18.847 1.00 0.00 H new ATOM 1158 N SER A 80 28.236 10.554 -17.493 1.00 0.00 N ATOM 1159 CA SER A 80 27.275 9.542 -17.915 1.00 0.00 C ATOM 1160 C SER A 80 26.208 9.332 -16.843 1.00 0.00 C ATOM 1161 O SER A 80 25.035 9.131 -17.154 1.00 0.00 O ATOM 1162 CB SER A 80 27.993 8.218 -18.179 1.00 0.00 C ATOM 1163 OG SER A 80 28.517 7.716 -16.956 1.00 0.00 O ATOM 0 H SER A 80 29.203 10.232 -17.450 1.00 0.00 H new ATOM 0 HA SER A 80 26.794 9.888 -18.830 1.00 0.00 H new ATOM 0 HB2 SER A 80 27.302 7.497 -18.615 1.00 0.00 H new ATOM 0 HB3 SER A 80 28.797 8.365 -18.900 1.00 0.00 H new ATOM 0 HG SER A 80 28.977 6.866 -17.121 1.00 0.00 H new ATOM 1169 N ALA A 81 26.625 9.388 -15.583 1.00 0.00 N ATOM 1170 CA ALA A 81 25.695 9.206 -14.473 1.00 0.00 C ATOM 1171 C ALA A 81 24.632 10.302 -14.477 1.00 0.00 C ATOM 1172 O ALA A 81 23.517 10.097 -13.999 1.00 0.00 O ATOM 1173 CB ALA A 81 26.454 9.233 -13.145 1.00 0.00 C ATOM 0 H ALA A 81 27.592 9.556 -15.305 1.00 0.00 H new ATOM 0 HA ALA A 81 25.204 8.240 -14.591 1.00 0.00 H new ATOM 0 HB1 ALA A 81 25.752 9.097 -12.322 1.00 0.00 H new ATOM 0 HB2 ALA A 81 27.191 8.430 -13.131 1.00 0.00 H new ATOM 0 HB3 ALA A 81 26.960 10.192 -13.035 1.00 0.00 H new ATOM 1179 N ALA A 82 24.987 11.463 -15.016 1.00 0.00 N ATOM 1180 CA ALA A 82 24.056 12.584 -15.071 1.00 0.00 C ATOM 1181 C ALA A 82 22.825 12.217 -15.894 1.00 0.00 C ATOM 1182 O ALA A 82 21.705 12.594 -15.554 1.00 0.00 O ATOM 1183 CB ALA A 82 24.743 13.803 -15.690 1.00 0.00 C ATOM 0 H ALA A 82 25.905 11.652 -15.418 1.00 0.00 H new ATOM 0 HA ALA A 82 23.741 12.822 -14.055 1.00 0.00 H new ATOM 0 HB1 ALA A 82 24.041 14.636 -15.728 1.00 0.00 H new ATOM 0 HB2 ALA A 82 25.605 14.082 -15.084 1.00 0.00 H new ATOM 0 HB3 ALA A 82 25.073 13.561 -16.700 1.00 0.00 H new ATOM 1189 N LYS A 83 23.042 11.475 -16.975 1.00 0.00 N ATOM 1190 CA LYS A 83 21.944 11.065 -17.837 1.00 0.00 C ATOM 1191 C LYS A 83 20.967 10.175 -17.074 1.00 0.00 C ATOM 1192 O LYS A 83 19.756 10.318 -17.200 1.00 0.00 O ATOM 1193 CB LYS A 83 22.488 10.305 -19.046 1.00 0.00 C ATOM 1194 CG LYS A 83 23.263 11.268 -19.947 1.00 0.00 C ATOM 1195 CD LYS A 83 23.880 10.490 -21.113 1.00 0.00 C ATOM 1196 CE LYS A 83 22.767 9.904 -21.996 1.00 0.00 C ATOM 1197 NZ LYS A 83 22.378 8.565 -21.472 1.00 0.00 N ATOM 0 H LYS A 83 23.962 11.148 -17.272 1.00 0.00 H new ATOM 0 HA LYS A 83 21.418 11.958 -18.174 1.00 0.00 H new ATOM 0 HB2 LYS A 83 23.139 9.495 -18.717 1.00 0.00 H new ATOM 0 HB3 LYS A 83 21.668 9.850 -19.602 1.00 0.00 H new ATOM 0 HG2 LYS A 83 22.598 12.044 -20.325 1.00 0.00 H new ATOM 0 HG3 LYS A 83 24.045 11.769 -19.375 1.00 0.00 H new ATOM 0 HD2 LYS A 83 24.517 11.148 -21.704 1.00 0.00 H new ATOM 0 HD3 LYS A 83 24.514 9.689 -20.733 1.00 0.00 H new ATOM 0 HE2 LYS A 83 21.904 10.570 -22.003 1.00 0.00 H new ATOM 0 HE3 LYS A 83 23.112 9.818 -23.027 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 22.541 7.845 -22.204 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 22.950 8.341 -20.633 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 21.371 8.573 -21.213 1.00 0.00 H new ATOM 1211 N LEU A 84 21.504 9.260 -16.283 1.00 0.00 N ATOM 1212 CA LEU A 84 20.674 8.351 -15.498 1.00 0.00 C ATOM 1213 C LEU A 84 19.892 9.126 -14.441 1.00 0.00 C ATOM 1214 O LEU A 84 18.746 8.798 -14.139 1.00 0.00 O ATOM 1215 CB LEU A 84 21.550 7.288 -14.822 1.00 0.00 C ATOM 1216 CG LEU A 84 21.910 6.201 -15.838 1.00 0.00 C ATOM 1217 CD1 LEU A 84 22.625 6.835 -17.035 1.00 0.00 C ATOM 1218 CD2 LEU A 84 22.834 5.177 -15.177 1.00 0.00 C ATOM 0 H LEU A 84 22.508 9.125 -16.165 1.00 0.00 H new ATOM 0 HA LEU A 84 19.969 7.859 -16.168 1.00 0.00 H new ATOM 0 HB2 LEU A 84 22.457 7.746 -14.427 1.00 0.00 H new ATOM 0 HB3 LEU A 84 21.020 6.849 -13.976 1.00 0.00 H new ATOM 0 HG LEU A 84 21.001 5.707 -16.180 1.00 0.00 H new ATOM 0 HD11 LEU A 84 22.881 6.060 -17.758 1.00 0.00 H new ATOM 0 HD12 LEU A 84 21.968 7.567 -17.505 1.00 0.00 H new ATOM 0 HD13 LEU A 84 23.535 7.329 -16.695 1.00 0.00 H new ATOM 0 HD21 LEU A 84 23.092 4.401 -15.898 1.00 0.00 H new ATOM 0 HD22 LEU A 84 23.743 5.673 -14.837 1.00 0.00 H new ATOM 0 HD23 LEU A 84 22.326 4.726 -14.325 1.00 0.00 H new ATOM 1230 N LYS A 85 20.533 10.137 -13.864 1.00 0.00 N ATOM 1231 CA LYS A 85 19.898 10.937 -12.825 1.00 0.00 C ATOM 1232 C LYS A 85 18.637 11.599 -13.358 1.00 0.00 C ATOM 1233 O LYS A 85 17.672 11.806 -12.621 1.00 0.00 O ATOM 1234 CB LYS A 85 20.868 12.008 -12.323 1.00 0.00 C ATOM 1235 CG LYS A 85 20.262 12.716 -11.108 1.00 0.00 C ATOM 1236 CD LYS A 85 21.254 13.747 -10.570 1.00 0.00 C ATOM 1237 CE LYS A 85 20.635 14.478 -9.375 1.00 0.00 C ATOM 1238 NZ LYS A 85 20.383 13.507 -8.275 1.00 0.00 N ATOM 0 H LYS A 85 21.485 10.420 -14.097 1.00 0.00 H new ATOM 0 HA LYS A 85 19.628 10.279 -11.999 1.00 0.00 H new ATOM 0 HB2 LYS A 85 21.821 11.553 -12.054 1.00 0.00 H new ATOM 0 HB3 LYS A 85 21.071 12.730 -13.114 1.00 0.00 H new ATOM 0 HG2 LYS A 85 19.329 13.205 -11.387 1.00 0.00 H new ATOM 0 HG3 LYS A 85 20.021 11.989 -10.333 1.00 0.00 H new ATOM 0 HD2 LYS A 85 22.179 13.255 -10.269 1.00 0.00 H new ATOM 0 HD3 LYS A 85 21.513 14.461 -11.352 1.00 0.00 H new ATOM 0 HE2 LYS A 85 21.304 15.267 -9.032 1.00 0.00 H new ATOM 0 HE3 LYS A 85 19.702 14.958 -9.672 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 20.291 14.019 -7.374 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 19.505 12.984 -8.468 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 21.177 12.838 -8.213 1.00 0.00 H new ATOM 1252 N ARG A 86 18.648 11.933 -14.645 1.00 0.00 N ATOM 1253 CA ARG A 86 17.496 12.585 -15.260 1.00 0.00 C ATOM 1254 C ARG A 86 16.200 11.912 -14.831 1.00 0.00 C ATOM 1255 O ARG A 86 15.337 12.538 -14.216 1.00 0.00 O ATOM 1256 CB ARG A 86 17.617 12.514 -16.784 1.00 0.00 C ATOM 1257 CG ARG A 86 18.816 13.347 -17.244 1.00 0.00 C ATOM 1258 CD ARG A 86 18.903 13.319 -18.772 1.00 0.00 C ATOM 1259 NE ARG A 86 19.253 11.981 -19.235 1.00 0.00 N ATOM 1260 CZ ARG A 86 19.327 11.700 -20.531 1.00 0.00 C ATOM 1261 NH1 ARG A 86 19.086 12.629 -21.416 1.00 0.00 N ATOM 1262 NH2 ARG A 86 19.644 10.496 -20.921 1.00 0.00 N ATOM 0 H ARG A 86 19.432 11.766 -15.276 1.00 0.00 H new ATOM 0 HA ARG A 86 17.477 13.625 -14.935 1.00 0.00 H new ATOM 0 HB2 ARG A 86 17.738 11.478 -17.101 1.00 0.00 H new ATOM 0 HB3 ARG A 86 16.704 12.885 -17.249 1.00 0.00 H new ATOM 0 HG2 ARG A 86 18.714 14.374 -16.894 1.00 0.00 H new ATOM 0 HG3 ARG A 86 19.734 12.952 -16.810 1.00 0.00 H new ATOM 0 HD2 ARG A 86 17.949 13.622 -19.203 1.00 0.00 H new ATOM 0 HD3 ARG A 86 19.649 14.036 -19.114 1.00 0.00 H new ATOM 0 HE ARG A 86 19.444 11.248 -18.552 1.00 0.00 H new ATOM 0 HH11 ARG A 86 18.841 13.571 -21.112 1.00 0.00 H new ATOM 0 HH12 ARG A 86 19.143 12.412 -22.411 1.00 0.00 H new ATOM 0 HH21 ARG A 86 19.835 9.770 -20.230 1.00 0.00 H new ATOM 0 HH22 ARG A 86 19.701 10.281 -21.916 1.00 0.00 H new ATOM 1403 N LEU A 93 21.029 2.250 -10.957 1.00 0.00 N ATOM 1404 CA LEU A 93 22.099 1.257 -10.894 1.00 0.00 C ATOM 1405 C LEU A 93 21.634 0.019 -10.134 1.00 0.00 C ATOM 1406 O LEU A 93 22.393 -0.932 -9.959 1.00 0.00 O ATOM 1407 CB LEU A 93 23.330 1.858 -10.203 1.00 0.00 C ATOM 1408 CG LEU A 93 24.093 2.743 -11.193 1.00 0.00 C ATOM 1409 CD1 LEU A 93 23.180 3.871 -11.680 1.00 0.00 C ATOM 1410 CD2 LEU A 93 25.318 3.339 -10.500 1.00 0.00 C ATOM 0 HA LEU A 93 22.363 0.965 -11.911 1.00 0.00 H new ATOM 0 HB2 LEU A 93 23.023 2.444 -9.337 1.00 0.00 H new ATOM 0 HB3 LEU A 93 23.978 1.062 -9.836 1.00 0.00 H new ATOM 0 HG LEU A 93 24.413 2.144 -12.046 1.00 0.00 H new ATOM 0 HD11 LEU A 93 23.724 4.501 -12.385 1.00 0.00 H new ATOM 0 HD12 LEU A 93 22.307 3.445 -12.173 1.00 0.00 H new ATOM 0 HD13 LEU A 93 22.859 4.472 -10.829 1.00 0.00 H new ATOM 0 HD21 LEU A 93 25.863 3.969 -11.203 1.00 0.00 H new ATOM 0 HD22 LEU A 93 24.998 3.938 -9.648 1.00 0.00 H new ATOM 0 HD23 LEU A 93 25.968 2.535 -10.155 1.00 0.00 H new ATOM 1422 N LYS A 94 20.385 0.041 -9.684 1.00 0.00 N ATOM 1423 CA LYS A 94 19.833 -1.085 -8.941 1.00 0.00 C ATOM 1424 C LYS A 94 19.833 -2.345 -9.800 1.00 0.00 C ATOM 1425 O LYS A 94 20.073 -3.444 -9.305 1.00 0.00 O ATOM 1426 CB LYS A 94 18.404 -0.767 -8.497 1.00 0.00 C ATOM 1427 CG LYS A 94 17.878 -1.900 -7.615 1.00 0.00 C ATOM 1428 CD LYS A 94 16.487 -1.538 -7.092 1.00 0.00 C ATOM 1429 CE LYS A 94 15.981 -2.649 -6.171 1.00 0.00 C ATOM 1430 NZ LYS A 94 15.771 -3.893 -6.962 1.00 0.00 N ATOM 0 H LYS A 94 19.740 0.819 -9.819 1.00 0.00 H new ATOM 0 HA LYS A 94 20.456 -1.258 -8.063 1.00 0.00 H new ATOM 0 HB2 LYS A 94 18.384 0.174 -7.948 1.00 0.00 H new ATOM 0 HB3 LYS A 94 17.761 -0.642 -9.368 1.00 0.00 H new ATOM 0 HG2 LYS A 94 17.833 -2.828 -8.185 1.00 0.00 H new ATOM 0 HG3 LYS A 94 18.558 -2.071 -6.781 1.00 0.00 H new ATOM 0 HD2 LYS A 94 16.525 -0.592 -6.551 1.00 0.00 H new ATOM 0 HD3 LYS A 94 15.798 -1.401 -7.926 1.00 0.00 H new ATOM 0 HE2 LYS A 94 16.701 -2.830 -5.373 1.00 0.00 H new ATOM 0 HE3 LYS A 94 15.048 -2.346 -5.696 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 14.971 -4.426 -6.565 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 15.565 -3.645 -7.951 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 16.630 -4.478 -6.923 1.00 0.00 H new ATOM 1444 N MET A 95 19.560 -2.175 -11.088 1.00 0.00 N ATOM 1445 CA MET A 95 19.530 -3.304 -12.009 1.00 0.00 C ATOM 1446 C MET A 95 20.908 -3.950 -12.111 1.00 0.00 C ATOM 1447 O MET A 95 21.025 -5.170 -12.235 1.00 0.00 O ATOM 1448 CB MET A 95 19.079 -2.839 -13.394 1.00 0.00 C ATOM 1449 CG MET A 95 17.622 -2.377 -13.327 1.00 0.00 C ATOM 1450 SD MET A 95 17.117 -1.735 -14.944 1.00 0.00 S ATOM 1451 CE MET A 95 17.041 -3.321 -15.814 1.00 0.00 C ATOM 0 H MET A 95 19.357 -1.272 -11.516 1.00 0.00 H new ATOM 0 HA MET A 95 18.823 -4.040 -11.626 1.00 0.00 H new ATOM 0 HB2 MET A 95 19.715 -2.024 -13.741 1.00 0.00 H new ATOM 0 HB3 MET A 95 19.181 -3.651 -14.113 1.00 0.00 H new ATOM 0 HG2 MET A 95 16.979 -3.208 -13.037 1.00 0.00 H new ATOM 0 HG3 MET A 95 17.509 -1.605 -12.566 1.00 0.00 H new ATOM 0 HE1 MET A 95 16.300 -3.264 -16.611 1.00 0.00 H new ATOM 0 HE2 MET A 95 18.017 -3.548 -16.242 1.00 0.00 H new ATOM 0 HE3 MET A 95 16.760 -4.107 -15.113 1.00 0.00 H new ATOM 1461 N MET A 96 21.948 -3.126 -12.059 1.00 0.00 N ATOM 1462 CA MET A 96 23.315 -3.627 -12.151 1.00 0.00 C ATOM 1463 C MET A 96 23.618 -4.563 -10.986 1.00 0.00 C ATOM 1464 O MET A 96 24.284 -5.583 -11.154 1.00 0.00 O ATOM 1465 CB MET A 96 24.302 -2.460 -12.141 1.00 0.00 C ATOM 1466 CG MET A 96 24.058 -1.571 -13.363 1.00 0.00 C ATOM 1467 SD MET A 96 24.482 -2.484 -14.872 1.00 0.00 S ATOM 1468 CE MET A 96 25.514 -1.211 -15.635 1.00 0.00 C ATOM 0 H MET A 96 21.873 -2.114 -11.954 1.00 0.00 H new ATOM 0 HA MET A 96 23.419 -4.179 -13.085 1.00 0.00 H new ATOM 0 HB2 MET A 96 24.184 -1.879 -11.226 1.00 0.00 H new ATOM 0 HB3 MET A 96 25.325 -2.836 -12.150 1.00 0.00 H new ATOM 0 HG2 MET A 96 23.014 -1.259 -13.396 1.00 0.00 H new ATOM 0 HG3 MET A 96 24.660 -0.665 -13.293 1.00 0.00 H new ATOM 0 HE1 MET A 96 25.887 -1.571 -16.594 1.00 0.00 H new ATOM 0 HE2 MET A 96 24.923 -0.309 -15.792 1.00 0.00 H new ATOM 0 HE3 MET A 96 26.356 -0.984 -14.980 1.00 0.00 H new ATOM 1478 N ILE A 97 23.125 -4.211 -9.806 1.00 0.00 N ATOM 1479 CA ILE A 97 23.348 -5.030 -8.619 1.00 0.00 C ATOM 1480 C ILE A 97 22.708 -6.398 -8.788 1.00 0.00 C ATOM 1481 O ILE A 97 23.312 -7.416 -8.451 1.00 0.00 O ATOM 1482 CB ILE A 97 22.761 -4.336 -7.386 1.00 0.00 C ATOM 1483 CG1 ILE A 97 23.304 -2.902 -7.300 1.00 0.00 C ATOM 1484 CG2 ILE A 97 23.155 -5.105 -6.125 1.00 0.00 C ATOM 1485 CD1 ILE A 97 24.838 -2.919 -7.327 1.00 0.00 C ATOM 0 H ILE A 97 22.571 -3.370 -9.644 1.00 0.00 H new ATOM 0 HA ILE A 97 24.422 -5.158 -8.485 1.00 0.00 H new ATOM 0 HB ILE A 97 21.674 -4.312 -7.469 1.00 0.00 H new ATOM 0 HG12 ILE A 97 22.924 -2.310 -8.133 1.00 0.00 H new ATOM 0 HG13 ILE A 97 22.953 -2.426 -6.384 1.00 0.00 H new ATOM 0 HG21 ILE A 97 22.736 -4.608 -5.250 1.00 0.00 H new ATOM 0 HG22 ILE A 97 22.769 -6.123 -6.184 1.00 0.00 H new ATOM 0 HG23 ILE A 97 24.241 -5.133 -6.040 1.00 0.00 H new ATOM 0 HD11 ILE A 97 25.214 -1.898 -7.266 1.00 0.00 H new ATOM 0 HD12 ILE A 97 25.210 -3.495 -6.480 1.00 0.00 H new ATOM 0 HD13 ILE A 97 25.181 -3.377 -8.255 1.00 0.00 H new ATOM 1497 N ILE A 98 21.488 -6.417 -9.303 1.00 0.00 N ATOM 1498 CA ILE A 98 20.774 -7.673 -9.507 1.00 0.00 C ATOM 1499 C ILE A 98 21.519 -8.552 -10.510 1.00 0.00 C ATOM 1500 O ILE A 98 21.658 -9.758 -10.311 1.00 0.00 O ATOM 1501 CB ILE A 98 19.360 -7.390 -10.020 1.00 0.00 C ATOM 1502 CG1 ILE A 98 18.549 -6.701 -8.921 1.00 0.00 C ATOM 1503 CG2 ILE A 98 18.680 -8.710 -10.401 1.00 0.00 C ATOM 1504 CD1 ILE A 98 17.245 -6.163 -9.512 1.00 0.00 C ATOM 0 H ILE A 98 20.972 -5.584 -9.586 1.00 0.00 H new ATOM 0 HA ILE A 98 20.715 -8.199 -8.554 1.00 0.00 H new ATOM 0 HB ILE A 98 19.414 -6.743 -10.895 1.00 0.00 H new ATOM 0 HG12 ILE A 98 18.333 -7.405 -8.117 1.00 0.00 H new ATOM 0 HG13 ILE A 98 19.127 -5.886 -8.484 1.00 0.00 H new ATOM 0 HG21 ILE A 98 17.673 -8.508 -10.766 1.00 0.00 H new ATOM 0 HG22 ILE A 98 19.257 -9.204 -11.182 1.00 0.00 H new ATOM 0 HG23 ILE A 98 18.626 -9.357 -9.526 1.00 0.00 H new ATOM 0 HD11 ILE A 98 16.666 -5.672 -8.730 1.00 0.00 H new ATOM 0 HD12 ILE A 98 17.472 -5.445 -10.300 1.00 0.00 H new ATOM 0 HD13 ILE A 98 16.666 -6.988 -9.928 1.00 0.00 H new ATOM 1516 N LEU A 99 21.987 -7.941 -11.589 1.00 0.00 N ATOM 1517 CA LEU A 99 22.709 -8.678 -12.618 1.00 0.00 C ATOM 1518 C LEU A 99 23.977 -9.293 -12.048 1.00 0.00 C ATOM 1519 O LEU A 99 24.347 -10.416 -12.398 1.00 0.00 O ATOM 1520 CB LEU A 99 23.068 -7.742 -13.773 1.00 0.00 C ATOM 1521 CG LEU A 99 21.788 -7.318 -14.508 1.00 0.00 C ATOM 1522 CD1 LEU A 99 22.095 -6.127 -15.421 1.00 0.00 C ATOM 1523 CD2 LEU A 99 21.253 -8.488 -15.356 1.00 0.00 C ATOM 0 H LEU A 99 21.881 -6.944 -11.775 1.00 0.00 H new ATOM 0 HA LEU A 99 22.066 -9.478 -12.984 1.00 0.00 H new ATOM 0 HB2 LEU A 99 23.590 -6.863 -13.394 1.00 0.00 H new ATOM 0 HB3 LEU A 99 23.747 -8.243 -14.463 1.00 0.00 H new ATOM 0 HG LEU A 99 21.033 -7.035 -13.774 1.00 0.00 H new ATOM 0 HD11 LEU A 99 21.187 -5.825 -15.943 1.00 0.00 H new ATOM 0 HD12 LEU A 99 22.463 -5.294 -14.821 1.00 0.00 H new ATOM 0 HD13 LEU A 99 22.854 -6.413 -16.149 1.00 0.00 H new ATOM 0 HD21 LEU A 99 20.345 -8.177 -15.873 1.00 0.00 H new ATOM 0 HD22 LEU A 99 22.006 -8.781 -16.088 1.00 0.00 H new ATOM 0 HD23 LEU A 99 21.029 -9.335 -14.707 1.00 0.00 H new ATOM 1535 N GLY A 100 24.649 -8.549 -11.180 1.00 0.00 N ATOM 1536 CA GLY A 100 25.881 -9.030 -10.572 1.00 0.00 C ATOM 1537 C GLY A 100 25.637 -10.294 -9.757 1.00 0.00 C ATOM 1538 O GLY A 100 26.490 -11.181 -9.698 1.00 0.00 O ATOM 0 H GLY A 100 24.364 -7.616 -10.883 1.00 0.00 H new ATOM 0 HA2 GLY A 100 26.618 -9.232 -11.349 1.00 0.00 H new ATOM 0 HA3 GLY A 100 26.299 -8.255 -9.930 1.00 0.00 H new ATOM 1542 N VAL A 101 24.472 -10.369 -9.125 1.00 0.00 N ATOM 1543 CA VAL A 101 24.132 -11.528 -8.310 1.00 0.00 C ATOM 1544 C VAL A 101 24.101 -12.795 -9.167 1.00 0.00 C ATOM 1545 O VAL A 101 24.633 -13.837 -8.772 1.00 0.00 O ATOM 1546 CB VAL A 101 22.766 -11.320 -7.650 1.00 0.00 C ATOM 1547 CG1 VAL A 101 22.337 -12.603 -6.934 1.00 0.00 C ATOM 1548 CG2 VAL A 101 22.861 -10.179 -6.635 1.00 0.00 C ATOM 0 H VAL A 101 23.752 -9.647 -9.160 1.00 0.00 H new ATOM 0 HA VAL A 101 24.893 -11.644 -7.538 1.00 0.00 H new ATOM 0 HB VAL A 101 22.030 -11.071 -8.415 1.00 0.00 H new ATOM 0 HG11 VAL A 101 21.365 -12.451 -6.466 1.00 0.00 H new ATOM 0 HG12 VAL A 101 22.269 -13.417 -7.656 1.00 0.00 H new ATOM 0 HG13 VAL A 101 23.072 -12.856 -6.170 1.00 0.00 H new ATOM 0 HG21 VAL A 101 21.890 -10.029 -6.164 1.00 0.00 H new ATOM 0 HG22 VAL A 101 23.599 -10.430 -5.873 1.00 0.00 H new ATOM 0 HG23 VAL A 101 23.162 -9.263 -7.144 1.00 0.00 H new ATOM 1558 N ILE A 102 23.467 -12.701 -10.332 1.00 0.00 N ATOM 1559 CA ILE A 102 23.364 -13.851 -11.221 1.00 0.00 C ATOM 1560 C ILE A 102 24.747 -14.329 -11.638 1.00 0.00 C ATOM 1561 O ILE A 102 25.071 -15.498 -11.530 1.00 0.00 O ATOM 1562 CB ILE A 102 22.565 -13.469 -12.466 1.00 0.00 C ATOM 1563 CG1 ILE A 102 21.178 -12.965 -12.049 1.00 0.00 C ATOM 1564 CG2 ILE A 102 22.408 -14.695 -13.368 1.00 0.00 C ATOM 1565 CD1 ILE A 102 20.523 -12.245 -13.226 1.00 0.00 C ATOM 0 H ILE A 102 23.022 -11.851 -10.679 1.00 0.00 H new ATOM 0 HA ILE A 102 22.857 -14.656 -10.689 1.00 0.00 H new ATOM 0 HB ILE A 102 23.092 -12.683 -13.007 1.00 0.00 H new ATOM 0 HG12 ILE A 102 20.556 -13.801 -11.729 1.00 0.00 H new ATOM 0 HG13 ILE A 102 21.265 -12.289 -11.198 1.00 0.00 H new ATOM 0 HG21 ILE A 102 21.838 -14.423 -14.256 1.00 0.00 H new ATOM 0 HG22 ILE A 102 23.392 -15.056 -13.665 1.00 0.00 H new ATOM 0 HG23 ILE A 102 21.882 -15.481 -12.826 1.00 0.00 H new ATOM 0 HD11 ILE A 102 19.537 -11.887 -12.930 1.00 0.00 H new ATOM 0 HD12 ILE A 102 21.142 -11.399 -13.525 1.00 0.00 H new ATOM 0 HD13 ILE A 102 20.422 -12.935 -14.064 1.00 0.00 H new ATOM 1577 N CYS A 103 25.565 -13.411 -12.100 1.00 0.00 N ATOM 1578 CA CYS A 103 26.923 -13.753 -12.523 1.00 0.00 C ATOM 1579 C CYS A 103 27.751 -14.236 -11.333 1.00 0.00 C ATOM 1580 O CYS A 103 28.733 -14.958 -11.493 1.00 0.00 O ATOM 1581 CB CYS A 103 27.601 -12.540 -13.158 1.00 0.00 C ATOM 1582 SG CYS A 103 28.134 -11.387 -11.869 1.00 0.00 S ATOM 0 H CYS A 103 25.325 -12.424 -12.196 1.00 0.00 H new ATOM 0 HA CYS A 103 26.858 -14.555 -13.258 1.00 0.00 H new ATOM 0 HB2 CYS A 103 28.459 -12.860 -13.749 1.00 0.00 H new ATOM 0 HB3 CYS A 103 26.911 -12.043 -13.840 1.00 0.00 H new ATOM 0 HG CYS A 103 27.388 -11.539 -10.815 1.00 0.00 H new ATOM 1588 N ALA A 104 27.365 -13.800 -10.143 1.00 0.00 N ATOM 1589 CA ALA A 104 28.088 -14.170 -8.932 1.00 0.00 C ATOM 1590 C ALA A 104 28.205 -15.683 -8.805 1.00 0.00 C ATOM 1591 O ALA A 104 29.301 -16.213 -8.624 1.00 0.00 O ATOM 1592 CB ALA A 104 27.367 -13.615 -7.698 1.00 0.00 C ATOM 0 H ALA A 104 26.560 -13.193 -9.989 1.00 0.00 H new ATOM 0 HA ALA A 104 29.089 -13.745 -8.997 1.00 0.00 H new ATOM 0 HB1 ALA A 104 27.915 -13.897 -6.799 1.00 0.00 H new ATOM 0 HB2 ALA A 104 27.315 -12.528 -7.765 1.00 0.00 H new ATOM 0 HB3 ALA A 104 26.358 -14.025 -7.651 1.00 0.00 H new ATOM 1598 N ILE A 105 27.071 -16.373 -8.890 1.00 0.00 N ATOM 1599 CA ILE A 105 27.057 -17.823 -8.770 1.00 0.00 C ATOM 1600 C ILE A 105 27.858 -18.469 -9.893 1.00 0.00 C ATOM 1601 O ILE A 105 28.580 -19.441 -9.668 1.00 0.00 O ATOM 1602 CB ILE A 105 25.615 -18.332 -8.791 1.00 0.00 C ATOM 1603 CG1 ILE A 105 24.827 -17.578 -9.853 1.00 0.00 C ATOM 1604 CG2 ILE A 105 24.965 -18.112 -7.429 1.00 0.00 C ATOM 1605 CD1 ILE A 105 23.505 -18.289 -10.129 1.00 0.00 C ATOM 0 H ILE A 105 26.155 -15.951 -9.041 1.00 0.00 H new ATOM 0 HA ILE A 105 27.520 -18.096 -7.822 1.00 0.00 H new ATOM 0 HB ILE A 105 25.616 -19.398 -9.020 1.00 0.00 H new ATOM 0 HG12 ILE A 105 24.637 -16.558 -9.520 1.00 0.00 H new ATOM 0 HG13 ILE A 105 25.411 -17.511 -10.771 1.00 0.00 H new ATOM 0 HG21 ILE A 105 23.938 -18.477 -7.453 1.00 0.00 H new ATOM 0 HG22 ILE A 105 25.525 -18.653 -6.667 1.00 0.00 H new ATOM 0 HG23 ILE A 105 24.966 -17.048 -7.193 1.00 0.00 H new ATOM 0 HD11 ILE A 105 22.949 -17.741 -10.890 1.00 0.00 H new ATOM 0 HD12 ILE A 105 23.703 -19.301 -10.482 1.00 0.00 H new ATOM 0 HD13 ILE A 105 22.917 -18.333 -9.212 1.00 0.00 H new ATOM 1617 N ILE A 106 27.742 -17.917 -11.089 1.00 0.00 N ATOM 1618 CA ILE A 106 28.482 -18.449 -12.223 1.00 0.00 C ATOM 1619 C ILE A 106 29.978 -18.453 -11.921 1.00 0.00 C ATOM 1620 O ILE A 106 30.686 -19.390 -12.290 1.00 0.00 O ATOM 1621 CB ILE A 106 28.186 -17.609 -13.485 1.00 0.00 C ATOM 1622 CG1 ILE A 106 26.993 -18.205 -14.247 1.00 0.00 C ATOM 1623 CG2 ILE A 106 29.412 -17.569 -14.408 1.00 0.00 C ATOM 1624 CD1 ILE A 106 25.756 -18.207 -13.357 1.00 0.00 C ATOM 0 H ILE A 106 27.152 -17.112 -11.300 1.00 0.00 H new ATOM 0 HA ILE A 106 28.165 -19.476 -12.405 1.00 0.00 H new ATOM 0 HB ILE A 106 27.947 -16.593 -13.171 1.00 0.00 H new ATOM 0 HG12 ILE A 106 26.801 -17.625 -15.150 1.00 0.00 H new ATOM 0 HG13 ILE A 106 27.225 -19.222 -14.564 1.00 0.00 H new ATOM 0 HG21 ILE A 106 29.183 -16.973 -15.291 1.00 0.00 H new ATOM 0 HG22 ILE A 106 30.253 -17.123 -13.877 1.00 0.00 H new ATOM 0 HG23 ILE A 106 29.672 -18.583 -14.712 1.00 0.00 H new ATOM 0 HD11 ILE A 106 24.914 -18.631 -13.905 1.00 0.00 H new ATOM 0 HD12 ILE A 106 25.949 -18.806 -12.467 1.00 0.00 H new ATOM 0 HD13 ILE A 106 25.519 -17.185 -13.062 1.00 0.00 H new ATOM 1636 N LEU A 107 30.454 -17.383 -11.310 1.00 0.00 N ATOM 1637 CA LEU A 107 31.873 -17.262 -11.011 1.00 0.00 C ATOM 1638 C LEU A 107 32.321 -18.403 -10.120 1.00 0.00 C ATOM 1639 O LEU A 107 33.411 -18.940 -10.289 1.00 0.00 O ATOM 1640 CB LEU A 107 32.145 -15.925 -10.320 1.00 0.00 C ATOM 1641 CG LEU A 107 31.985 -14.777 -11.326 1.00 0.00 C ATOM 1642 CD1 LEU A 107 31.993 -13.441 -10.580 1.00 0.00 C ATOM 1643 CD2 LEU A 107 33.141 -14.804 -12.346 1.00 0.00 C ATOM 0 H LEU A 107 29.886 -16.590 -11.012 1.00 0.00 H new ATOM 0 HA LEU A 107 32.434 -17.305 -11.944 1.00 0.00 H new ATOM 0 HB2 LEU A 107 31.456 -15.789 -9.487 1.00 0.00 H new ATOM 0 HB3 LEU A 107 33.153 -15.919 -9.904 1.00 0.00 H new ATOM 0 HG LEU A 107 31.040 -14.895 -11.856 1.00 0.00 H new ATOM 0 HD11 LEU A 107 31.879 -12.625 -11.294 1.00 0.00 H new ATOM 0 HD12 LEU A 107 31.169 -13.417 -9.867 1.00 0.00 H new ATOM 0 HD13 LEU A 107 32.937 -13.328 -10.047 1.00 0.00 H new ATOM 0 HD21 LEU A 107 33.019 -13.986 -13.056 1.00 0.00 H new ATOM 0 HD22 LEU A 107 34.091 -14.692 -11.823 1.00 0.00 H new ATOM 0 HD23 LEU A 107 33.132 -15.753 -12.881 1.00 0.00 H new ATOM 1655 N ILE A 108 31.471 -18.773 -9.177 1.00 0.00 N ATOM 1656 CA ILE A 108 31.795 -19.861 -8.259 1.00 0.00 C ATOM 1657 C ILE A 108 32.032 -21.153 -9.021 1.00 0.00 C ATOM 1658 O ILE A 108 32.966 -21.895 -8.719 1.00 0.00 O ATOM 1659 CB ILE A 108 30.648 -20.057 -7.261 1.00 0.00 C ATOM 1660 CG1 ILE A 108 30.312 -18.716 -6.596 1.00 0.00 C ATOM 1661 CG2 ILE A 108 31.064 -21.064 -6.189 1.00 0.00 C ATOM 1662 CD1 ILE A 108 31.575 -18.109 -5.966 1.00 0.00 C ATOM 0 H ILE A 108 30.559 -18.343 -9.024 1.00 0.00 H new ATOM 0 HA ILE A 108 32.707 -19.600 -7.722 1.00 0.00 H new ATOM 0 HB ILE A 108 29.772 -20.432 -7.790 1.00 0.00 H new ATOM 0 HG12 ILE A 108 29.898 -18.029 -7.334 1.00 0.00 H new ATOM 0 HG13 ILE A 108 29.549 -18.861 -5.832 1.00 0.00 H new ATOM 0 HG21 ILE A 108 30.246 -21.201 -5.481 1.00 0.00 H new ATOM 0 HG22 ILE A 108 31.301 -22.019 -6.659 1.00 0.00 H new ATOM 0 HG23 ILE A 108 31.942 -20.692 -5.661 1.00 0.00 H new ATOM 0 HD11 ILE A 108 31.326 -17.157 -5.497 1.00 0.00 H new ATOM 0 HD12 ILE A 108 31.971 -18.792 -5.214 1.00 0.00 H new ATOM 0 HD13 ILE A 108 32.325 -17.947 -6.740 1.00 0.00 H new ATOM 1674 N ILE A 109 31.187 -21.421 -10.003 1.00 0.00 N ATOM 1675 CA ILE A 109 31.319 -22.634 -10.802 1.00 0.00 C ATOM 1676 C ILE A 109 32.637 -22.635 -11.563 1.00 0.00 C ATOM 1677 O ILE A 109 33.318 -23.659 -11.636 1.00 0.00 O ATOM 1678 CB ILE A 109 30.156 -22.736 -11.793 1.00 0.00 C ATOM 1679 CG1 ILE A 109 28.830 -22.577 -11.042 1.00 0.00 C ATOM 1680 CG2 ILE A 109 30.186 -24.101 -12.484 1.00 0.00 C ATOM 1681 CD1 ILE A 109 28.743 -23.605 -9.903 1.00 0.00 C ATOM 0 H ILE A 109 30.406 -20.821 -10.267 1.00 0.00 H new ATOM 0 HA ILE A 109 31.301 -23.492 -10.130 1.00 0.00 H new ATOM 0 HB ILE A 109 30.250 -21.949 -12.541 1.00 0.00 H new ATOM 0 HG12 ILE A 109 28.750 -21.568 -10.638 1.00 0.00 H new ATOM 0 HG13 ILE A 109 27.995 -22.712 -11.729 1.00 0.00 H new ATOM 0 HG21 ILE A 109 29.357 -24.170 -13.189 1.00 0.00 H new ATOM 0 HG22 ILE A 109 31.128 -24.217 -13.020 1.00 0.00 H new ATOM 0 HG23 ILE A 109 30.094 -24.889 -11.737 1.00 0.00 H new ATOM 0 HD11 ILE A 109 27.797 -23.484 -9.375 1.00 0.00 H new ATOM 0 HD12 ILE A 109 28.802 -24.612 -10.316 1.00 0.00 H new ATOM 0 HD13 ILE A 109 29.569 -23.449 -9.208 1.00 0.00 H new ATOM 1693 N ILE A 110 32.986 -21.491 -12.134 1.00 0.00 N ATOM 1694 CA ILE A 110 34.224 -21.377 -12.895 1.00 0.00 C ATOM 1695 C ILE A 110 35.430 -21.633 -11.993 1.00 0.00 C ATOM 1696 O ILE A 110 36.362 -22.339 -12.376 1.00 0.00 O ATOM 1697 CB ILE A 110 34.329 -19.981 -13.513 1.00 0.00 C ATOM 1698 CG1 ILE A 110 33.253 -19.819 -14.590 1.00 0.00 C ATOM 1699 CG2 ILE A 110 35.715 -19.800 -14.146 1.00 0.00 C ATOM 1700 CD1 ILE A 110 33.176 -18.352 -15.018 1.00 0.00 C ATOM 0 H ILE A 110 32.435 -20.634 -12.086 1.00 0.00 H new ATOM 0 HA ILE A 110 34.214 -22.124 -13.689 1.00 0.00 H new ATOM 0 HB ILE A 110 34.185 -19.230 -12.736 1.00 0.00 H new ATOM 0 HG12 ILE A 110 33.486 -20.448 -15.449 1.00 0.00 H new ATOM 0 HG13 ILE A 110 32.287 -20.148 -14.207 1.00 0.00 H new ATOM 0 HG21 ILE A 110 35.787 -18.805 -14.585 1.00 0.00 H new ATOM 0 HG22 ILE A 110 36.482 -19.915 -13.381 1.00 0.00 H new ATOM 0 HG23 ILE A 110 35.861 -20.551 -14.922 1.00 0.00 H new ATOM 0 HD11 ILE A 110 32.410 -18.236 -15.785 1.00 0.00 H new ATOM 0 HD12 ILE A 110 32.923 -17.734 -14.156 1.00 0.00 H new ATOM 0 HD13 ILE A 110 34.140 -18.039 -15.418 1.00 0.00 H new ATOM 1712 N ILE A 111 35.403 -21.055 -10.801 1.00 0.00 N ATOM 1713 CA ILE A 111 36.499 -21.232 -9.858 1.00 0.00 C ATOM 1714 C ILE A 111 36.612 -22.687 -9.428 1.00 0.00 C ATOM 1715 O ILE A 111 37.712 -23.238 -9.367 1.00 0.00 O ATOM 1716 CB ILE A 111 36.276 -20.344 -8.625 1.00 0.00 C ATOM 1717 CG1 ILE A 111 36.395 -18.868 -9.028 1.00 0.00 C ATOM 1718 CG2 ILE A 111 37.326 -20.663 -7.560 1.00 0.00 C ATOM 1719 CD1 ILE A 111 37.809 -18.565 -9.558 1.00 0.00 C ATOM 0 H ILE A 111 34.642 -20.465 -10.465 1.00 0.00 H new ATOM 0 HA ILE A 111 37.427 -20.943 -10.352 1.00 0.00 H new ATOM 0 HB ILE A 111 35.282 -20.535 -8.222 1.00 0.00 H new ATOM 0 HG12 ILE A 111 35.655 -18.633 -9.794 1.00 0.00 H new ATOM 0 HG13 ILE A 111 36.178 -18.232 -8.170 1.00 0.00 H new ATOM 0 HG21 ILE A 111 37.163 -20.030 -6.688 1.00 0.00 H new ATOM 0 HG22 ILE A 111 37.243 -21.710 -7.269 1.00 0.00 H new ATOM 0 HG23 ILE A 111 38.321 -20.476 -7.963 1.00 0.00 H new ATOM 0 HD11 ILE A 111 37.875 -17.514 -9.839 1.00 0.00 H new ATOM 0 HD12 ILE A 111 38.543 -18.780 -8.781 1.00 0.00 H new ATOM 0 HD13 ILE A 111 38.012 -19.187 -10.430 1.00 0.00 H new ATOM 1731 N VAL A 112 35.478 -23.298 -9.133 1.00 0.00 N ATOM 1732 CA VAL A 112 35.455 -24.689 -8.708 1.00 0.00 C ATOM 1733 C VAL A 112 35.896 -25.596 -9.850 1.00 0.00 C ATOM 1734 O VAL A 112 36.657 -26.541 -9.644 1.00 0.00 O ATOM 1735 CB VAL A 112 34.048 -25.073 -8.247 1.00 0.00 C ATOM 1736 CG1 VAL A 112 33.998 -26.577 -7.959 1.00 0.00 C ATOM 1737 CG2 VAL A 112 33.700 -24.301 -6.971 1.00 0.00 C ATOM 0 H VAL A 112 34.561 -22.854 -9.179 1.00 0.00 H new ATOM 0 HA VAL A 112 36.147 -24.813 -7.875 1.00 0.00 H new ATOM 0 HB VAL A 112 33.330 -24.827 -9.030 1.00 0.00 H new ATOM 0 HG11 VAL A 112 32.996 -26.851 -7.630 1.00 0.00 H new ATOM 0 HG12 VAL A 112 34.247 -27.129 -8.865 1.00 0.00 H new ATOM 0 HG13 VAL A 112 34.716 -26.822 -7.176 1.00 0.00 H new ATOM 0 HG21 VAL A 112 32.697 -24.574 -6.642 1.00 0.00 H new ATOM 0 HG22 VAL A 112 34.418 -24.548 -6.189 1.00 0.00 H new ATOM 0 HG23 VAL A 112 33.736 -23.230 -7.172 1.00 0.00 H new ATOM 1747 N TYR A 113 35.402 -25.309 -11.048 1.00 0.00 N ATOM 1748 CA TYR A 113 35.742 -26.108 -12.214 1.00 0.00 C ATOM 1749 C TYR A 113 37.244 -26.086 -12.467 1.00 0.00 C ATOM 1750 O TYR A 113 37.847 -27.105 -12.802 1.00 0.00 O ATOM 1751 CB TYR A 113 35.000 -25.586 -13.447 1.00 0.00 C ATOM 1752 CG TYR A 113 35.429 -26.368 -14.667 1.00 0.00 C ATOM 1753 CD1 TYR A 113 34.951 -27.670 -14.868 1.00 0.00 C ATOM 1754 CD2 TYR A 113 36.309 -25.796 -15.594 1.00 0.00 C ATOM 1755 CE1 TYR A 113 35.351 -28.394 -15.997 1.00 0.00 C ATOM 1756 CE2 TYR A 113 36.707 -26.520 -16.722 1.00 0.00 C ATOM 1757 CZ TYR A 113 36.228 -27.821 -16.924 1.00 0.00 C ATOM 1758 OH TYR A 113 36.621 -28.535 -18.037 1.00 0.00 O ATOM 0 H TYR A 113 34.768 -24.532 -11.235 1.00 0.00 H new ATOM 0 HA TYR A 113 35.438 -27.137 -12.021 1.00 0.00 H new ATOM 0 HB2 TYR A 113 33.924 -25.680 -13.303 1.00 0.00 H new ATOM 0 HB3 TYR A 113 35.211 -24.526 -13.589 1.00 0.00 H new ATOM 0 HD1 TYR A 113 34.275 -28.114 -14.153 1.00 0.00 H new ATOM 0 HD2 TYR A 113 36.681 -24.794 -15.437 1.00 0.00 H new ATOM 0 HE1 TYR A 113 34.982 -29.397 -16.153 1.00 0.00 H new ATOM 0 HE2 TYR A 113 37.384 -26.076 -17.437 1.00 0.00 H new ATOM 0 HH TYR A 113 37.230 -27.990 -18.577 1.00 0.00 H new ATOM 1768 N PHE A 114 37.837 -24.917 -12.306 1.00 0.00 N ATOM 1769 CA PHE A 114 39.271 -24.757 -12.519 1.00 0.00 C ATOM 1770 C PHE A 114 40.055 -25.676 -11.591 1.00 0.00 C ATOM 1771 O PHE A 114 41.037 -26.297 -11.996 1.00 0.00 O ATOM 1772 CB PHE A 114 39.686 -23.305 -12.281 1.00 0.00 C ATOM 1773 CG PHE A 114 41.135 -23.122 -12.668 1.00 0.00 C ATOM 1774 CD1 PHE A 114 41.483 -22.940 -14.012 1.00 0.00 C ATOM 1775 CD2 PHE A 114 42.130 -23.136 -11.684 1.00 0.00 C ATOM 1776 CE1 PHE A 114 42.825 -22.769 -14.371 1.00 0.00 C ATOM 1777 CE2 PHE A 114 43.473 -22.967 -12.043 1.00 0.00 C ATOM 1778 CZ PHE A 114 43.821 -22.783 -13.386 1.00 0.00 C ATOM 0 H PHE A 114 37.352 -24.063 -12.029 1.00 0.00 H new ATOM 0 HA PHE A 114 39.494 -25.025 -13.552 1.00 0.00 H new ATOM 0 HB2 PHE A 114 39.056 -22.635 -12.866 1.00 0.00 H new ATOM 0 HB3 PHE A 114 39.543 -23.043 -11.233 1.00 0.00 H new ATOM 0 HD1 PHE A 114 40.716 -22.932 -14.772 1.00 0.00 H new ATOM 0 HD2 PHE A 114 41.862 -23.277 -10.647 1.00 0.00 H new ATOM 0 HE1 PHE A 114 43.093 -22.626 -15.408 1.00 0.00 H new ATOM 0 HE2 PHE A 114 44.240 -22.979 -11.283 1.00 0.00 H new ATOM 0 HZ PHE A 114 44.857 -22.652 -13.663 1.00 0.00 H new ATOM 1788 N SER A 115 39.622 -25.748 -10.342 1.00 0.00 N ATOM 1789 CA SER A 115 40.286 -26.587 -9.354 1.00 0.00 C ATOM 1790 C SER A 115 39.870 -28.046 -9.514 1.00 0.00 C ATOM 1791 O SER A 115 40.432 -28.936 -8.878 1.00 0.00 O ATOM 1792 CB SER A 115 39.947 -26.111 -7.941 1.00 0.00 C ATOM 1793 OG SER A 115 38.575 -26.374 -7.676 1.00 0.00 O ATOM 0 H SER A 115 38.814 -25.236 -9.988 1.00 0.00 H new ATOM 0 HA SER A 115 41.361 -26.509 -9.513 1.00 0.00 H new ATOM 0 HB2 SER A 115 40.575 -26.622 -7.212 1.00 0.00 H new ATOM 0 HB3 SER A 115 40.150 -25.044 -7.845 1.00 0.00 H new ATOM 0 HG SER A 115 38.070 -26.356 -8.516 1.00 0.00 H new ATOM 1799 N THR A 116 38.882 -28.282 -10.369 1.00 0.00 N ATOM 1800 CA THR A 116 38.395 -29.632 -10.609 1.00 0.00 C ATOM 1801 C THR A 116 39.327 -30.380 -11.557 1.00 0.00 C ATOM 1802 O THR A 116 38.942 -30.585 -12.696 1.00 0.00 O ATOM 1803 CB THR A 116 36.987 -29.588 -11.206 1.00 0.00 C ATOM 1804 OG1 THR A 116 36.177 -28.708 -10.439 1.00 0.00 O ATOM 1805 CG2 THR A 116 36.377 -30.988 -11.191 1.00 0.00 C ATOM 1806 OXT THR A 116 40.414 -30.734 -11.131 1.00 0.00 O ATOM 0 H THR A 116 38.405 -27.558 -10.905 1.00 0.00 H new ATOM 0 HA THR A 116 38.366 -30.158 -9.654 1.00 0.00 H new ATOM 0 HB THR A 116 37.041 -29.231 -12.235 1.00 0.00 H new ATOM 0 HG1 THR A 116 36.574 -27.812 -10.443 1.00 0.00 H new ATOM 0 HG21 THR A 116 35.374 -30.953 -11.617 1.00 0.00 H new ATOM 0 HG22 THR A 116 36.998 -31.662 -11.781 1.00 0.00 H new ATOM 0 HG23 THR A 116 36.322 -31.350 -10.164 1.00 0.00 H new