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= -0.0194 K(o=-0.019,f=-1.7!) USER MOD Single : A 46 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 49 ASN :FLIP amide:sc= -0.0172 F(o=-1.5!,f=-0.017) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 THR OG1 : rot -35:sc= 0.0733 USER MOD Single : A 80 SER OG : rot 180:sc=-0.00996 USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 MET CE :methyl -134:sc= -0.137 (180deg=-0.936) USER MOD Single : A 96 MET CE :methyl -129:sc= -0.101 (180deg=-0.753) USER MOD Single : A 103 CYS SG : rot -42:sc= -1.06! 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 -19:sc= 0.936 USER MOD ----------------------------------------------------------------- ATOM 505 N GLN A 38 31.274 41.914 -1.578 1.00 0.00 N ATOM 506 CA GLN A 38 31.636 40.528 -1.306 1.00 0.00 C ATOM 507 C GLN A 38 30.540 39.584 -1.791 1.00 0.00 C ATOM 508 O GLN A 38 30.822 38.515 -2.328 1.00 0.00 O ATOM 509 CB GLN A 38 31.855 40.331 0.196 1.00 0.00 C ATOM 510 CG GLN A 38 32.280 38.887 0.466 1.00 0.00 C ATOM 511 CD GLN A 38 32.678 38.725 1.929 1.00 0.00 C ATOM 512 OE1 GLN A 38 32.957 39.712 2.609 1.00 0.00 O ATOM 513 NE2 GLN A 38 32.718 37.533 2.457 1.00 0.00 N ATOM 0 HA GLN A 38 32.559 40.301 -1.840 1.00 0.00 H new ATOM 0 HB2 GLN A 38 32.620 41.019 0.556 1.00 0.00 H new ATOM 0 HB3 GLN A 38 30.939 40.559 0.741 1.00 0.00 H new ATOM 0 HG2 GLN A 38 31.462 38.208 0.226 1.00 0.00 H new ATOM 0 HG3 GLN A 38 33.117 38.619 -0.179 1.00 0.00 H new ATOM 0 HE21 GLN A 38 32.486 36.717 1.891 1.00 0.00 H new ATOM 0 HE22 GLN A 38 32.981 37.417 3.436 1.00 0.00 H new ATOM 522 N VAL A 39 29.290 39.982 -1.595 1.00 0.00 N ATOM 523 CA VAL A 39 28.163 39.158 -2.018 1.00 0.00 C ATOM 524 C VAL A 39 28.141 39.021 -3.539 1.00 0.00 C ATOM 525 O VAL A 39 27.847 37.951 -4.070 1.00 0.00 O ATOM 526 CB VAL A 39 26.850 39.783 -1.542 1.00 0.00 C ATOM 527 CG1 VAL A 39 26.596 41.094 -2.293 1.00 0.00 C ATOM 528 CG2 VAL A 39 25.697 38.809 -1.803 1.00 0.00 C ATOM 0 H VAL A 39 29.031 40.862 -1.150 1.00 0.00 H new ATOM 0 HA VAL A 39 28.275 38.168 -1.576 1.00 0.00 H new ATOM 0 HB VAL A 39 26.916 39.990 -0.474 1.00 0.00 H new ATOM 0 HG11 VAL A 39 25.660 41.534 -1.950 1.00 0.00 H new ATOM 0 HG12 VAL A 39 27.415 41.788 -2.102 1.00 0.00 H new ATOM 0 HG13 VAL A 39 26.532 40.894 -3.363 1.00 0.00 H new ATOM 0 HG21 VAL A 39 24.761 39.254 -1.464 1.00 0.00 H new ATOM 0 HG22 VAL A 39 25.633 38.599 -2.871 1.00 0.00 H new ATOM 0 HG23 VAL A 39 25.875 37.881 -1.260 1.00 0.00 H new ATOM 538 N ASP A 40 28.449 40.114 -4.229 1.00 0.00 N ATOM 539 CA ASP A 40 28.457 40.110 -5.687 1.00 0.00 C ATOM 540 C ASP A 40 29.605 39.258 -6.220 1.00 0.00 C ATOM 541 O ASP A 40 29.581 38.817 -7.368 1.00 0.00 O ATOM 542 CB ASP A 40 28.599 41.540 -6.214 1.00 0.00 C ATOM 543 CG ASP A 40 27.315 42.322 -5.958 1.00 0.00 C ATOM 544 OD1 ASP A 40 26.335 41.705 -5.579 1.00 0.00 O ATOM 545 OD2 ASP A 40 27.332 43.527 -6.147 1.00 0.00 O ATOM 0 H ASP A 40 28.695 41.009 -3.805 1.00 0.00 H new ATOM 0 HA ASP A 40 27.514 39.685 -6.031 1.00 0.00 H new ATOM 0 HB2 ASP A 40 29.439 42.034 -5.726 1.00 0.00 H new ATOM 0 HB3 ASP A 40 28.817 41.523 -7.282 1.00 0.00 H new ATOM 550 N GLU A 41 30.610 39.034 -5.380 1.00 0.00 N ATOM 551 CA GLU A 41 31.762 38.235 -5.782 1.00 0.00 C ATOM 552 C GLU A 41 31.350 36.787 -6.027 1.00 0.00 C ATOM 553 O GLU A 41 31.811 36.152 -6.974 1.00 0.00 O ATOM 554 CB GLU A 41 32.837 38.285 -4.695 1.00 0.00 C ATOM 555 CG GLU A 41 34.100 37.578 -5.189 1.00 0.00 C ATOM 556 CD GLU A 41 35.186 37.648 -4.120 1.00 0.00 C ATOM 557 OE1 GLU A 41 34.862 37.997 -2.997 1.00 0.00 O ATOM 558 OE2 GLU A 41 36.324 37.351 -4.440 1.00 0.00 O ATOM 0 H GLU A 41 30.651 39.391 -4.425 1.00 0.00 H new ATOM 0 HA GLU A 41 32.162 38.648 -6.708 1.00 0.00 H new ATOM 0 HB2 GLU A 41 33.064 39.320 -4.441 1.00 0.00 H new ATOM 0 HB3 GLU A 41 32.472 37.806 -3.786 1.00 0.00 H new ATOM 0 HG2 GLU A 41 33.876 36.538 -5.425 1.00 0.00 H new ATOM 0 HG3 GLU A 41 34.452 38.045 -6.109 1.00 0.00 H new ATOM 565 N VAL A 42 30.479 36.272 -5.165 1.00 0.00 N ATOM 566 CA VAL A 42 30.012 34.897 -5.295 1.00 0.00 C ATOM 567 C VAL A 42 29.230 34.722 -6.591 1.00 0.00 C ATOM 568 O VAL A 42 29.413 33.742 -7.309 1.00 0.00 O ATOM 569 CB VAL A 42 29.125 34.528 -4.101 1.00 0.00 C ATOM 570 CG1 VAL A 42 28.540 33.127 -4.306 1.00 0.00 C ATOM 571 CG2 VAL A 42 29.959 34.547 -2.818 1.00 0.00 C ATOM 0 H VAL A 42 30.085 36.782 -4.374 1.00 0.00 H new ATOM 0 HA VAL A 42 30.879 34.237 -5.315 1.00 0.00 H new ATOM 0 HB VAL A 42 28.314 35.251 -4.019 1.00 0.00 H new ATOM 0 HG11 VAL A 42 27.910 32.868 -3.455 1.00 0.00 H new ATOM 0 HG12 VAL A 42 27.943 33.112 -5.218 1.00 0.00 H new ATOM 0 HG13 VAL A 42 29.350 32.403 -4.391 1.00 0.00 H new ATOM 0 HG21 VAL A 42 29.327 34.284 -1.969 1.00 0.00 H new ATOM 0 HG22 VAL A 42 30.772 33.826 -2.902 1.00 0.00 H new ATOM 0 HG23 VAL A 42 30.373 35.544 -2.668 1.00 0.00 H new ATOM 581 N VAL A 43 28.361 35.680 -6.885 1.00 0.00 N ATOM 582 CA VAL A 43 27.556 35.621 -8.098 1.00 0.00 C ATOM 583 C VAL A 43 28.457 35.598 -9.328 1.00 0.00 C ATOM 584 O VAL A 43 28.212 34.850 -10.274 1.00 0.00 O ATOM 585 CB VAL A 43 26.617 36.827 -8.163 1.00 0.00 C ATOM 586 CG1 VAL A 43 25.853 36.810 -9.490 1.00 0.00 C ATOM 587 CG2 VAL A 43 25.624 36.759 -7.000 1.00 0.00 C ATOM 0 H VAL A 43 28.196 36.502 -6.304 1.00 0.00 H new ATOM 0 HA VAL A 43 26.962 34.708 -8.079 1.00 0.00 H new ATOM 0 HB VAL A 43 27.199 37.746 -8.093 1.00 0.00 H new ATOM 0 HG11 VAL A 43 25.184 37.669 -9.536 1.00 0.00 H new ATOM 0 HG12 VAL A 43 26.561 36.856 -10.318 1.00 0.00 H new ATOM 0 HG13 VAL A 43 25.270 35.892 -9.562 1.00 0.00 H new ATOM 0 HG21 VAL A 43 24.953 37.617 -7.044 1.00 0.00 H new ATOM 0 HG22 VAL A 43 25.042 35.840 -7.071 1.00 0.00 H new ATOM 0 HG23 VAL A 43 26.168 36.771 -6.056 1.00 0.00 H new ATOM 597 N ASP A 44 29.495 36.425 -9.308 1.00 0.00 N ATOM 598 CA ASP A 44 30.422 36.493 -10.431 1.00 0.00 C ATOM 599 C ASP A 44 31.095 35.140 -10.655 1.00 0.00 C ATOM 600 O ASP A 44 31.272 34.711 -11.796 1.00 0.00 O ATOM 601 CB ASP A 44 31.492 37.552 -10.160 1.00 0.00 C ATOM 602 CG ASP A 44 30.885 38.947 -10.259 1.00 0.00 C ATOM 603 OD1 ASP A 44 29.786 39.058 -10.778 1.00 0.00 O ATOM 604 OD2 ASP A 44 31.528 39.885 -9.816 1.00 0.00 O ATOM 0 H ASP A 44 29.715 37.052 -8.535 1.00 0.00 H new ATOM 0 HA ASP A 44 29.859 36.761 -11.325 1.00 0.00 H new ATOM 0 HB2 ASP A 44 31.920 37.403 -9.169 1.00 0.00 H new ATOM 0 HB3 ASP A 44 32.306 37.449 -10.877 1.00 0.00 H new ATOM 609 N ILE A 45 31.467 34.471 -9.566 1.00 0.00 N ATOM 610 CA ILE A 45 32.118 33.170 -9.675 1.00 0.00 C ATOM 611 C ILE A 45 31.177 32.147 -10.304 1.00 0.00 C ATOM 612 O ILE A 45 31.579 31.370 -11.172 1.00 0.00 O ATOM 613 CB ILE A 45 32.551 32.687 -8.286 1.00 0.00 C ATOM 614 CG1 ILE A 45 33.671 33.590 -7.765 1.00 0.00 C ATOM 615 CG2 ILE A 45 33.058 31.243 -8.373 1.00 0.00 C ATOM 616 CD1 ILE A 45 33.932 33.284 -6.289 1.00 0.00 C ATOM 0 H ILE A 45 31.331 34.803 -8.611 1.00 0.00 H new ATOM 0 HA ILE A 45 32.995 33.275 -10.314 1.00 0.00 H new ATOM 0 HB ILE A 45 31.699 32.727 -7.607 1.00 0.00 H new ATOM 0 HG12 ILE A 45 34.580 33.431 -8.346 1.00 0.00 H new ATOM 0 HG13 ILE A 45 33.394 34.637 -7.886 1.00 0.00 H new ATOM 0 HG21 ILE A 45 33.364 30.905 -7.383 1.00 0.00 H new ATOM 0 HG22 ILE A 45 32.261 30.599 -8.746 1.00 0.00 H new ATOM 0 HG23 ILE A 45 33.909 31.197 -9.052 1.00 0.00 H new ATOM 0 HD11 ILE A 45 34.730 33.928 -5.919 1.00 0.00 H new ATOM 0 HD12 ILE A 45 33.024 33.465 -5.714 1.00 0.00 H new ATOM 0 HD13 ILE A 45 34.228 32.241 -6.181 1.00 0.00 H new ATOM 628 N MET A 46 29.924 32.151 -9.865 1.00 0.00 N ATOM 629 CA MET A 46 28.936 31.215 -10.388 1.00 0.00 C ATOM 630 C MET A 46 28.683 31.479 -11.871 1.00 0.00 C ATOM 631 O MET A 46 28.537 30.547 -12.660 1.00 0.00 O ATOM 632 CB MET A 46 27.625 31.352 -9.612 1.00 0.00 C ATOM 633 CG MET A 46 27.855 30.989 -8.142 1.00 0.00 C ATOM 634 SD MET A 46 28.275 29.234 -8.001 1.00 0.00 S ATOM 635 CE MET A 46 26.592 28.619 -7.754 1.00 0.00 C ATOM 0 H MET A 46 29.569 32.788 -9.152 1.00 0.00 H new ATOM 0 HA MET A 46 29.322 30.203 -10.271 1.00 0.00 H new ATOM 0 HB2 MET A 46 27.250 32.372 -9.690 1.00 0.00 H new ATOM 0 HB3 MET A 46 26.866 30.699 -10.043 1.00 0.00 H new ATOM 0 HG2 MET A 46 28.659 31.599 -7.729 1.00 0.00 H new ATOM 0 HG3 MET A 46 26.959 31.206 -7.560 1.00 0.00 H new ATOM 0 HE1 MET A 46 26.614 27.535 -7.641 1.00 0.00 H new ATOM 0 HE2 MET A 46 26.168 29.069 -6.856 1.00 0.00 H new ATOM 0 HE3 MET A 46 25.978 28.882 -8.616 1.00 0.00 H new ATOM 645 N ARG A 47 28.630 32.752 -12.241 1.00 0.00 N ATOM 646 CA ARG A 47 28.392 33.123 -13.629 1.00 0.00 C ATOM 647 C ARG A 47 29.510 32.599 -14.524 1.00 0.00 C ATOM 648 O ARG A 47 29.258 32.081 -15.611 1.00 0.00 O ATOM 649 CB ARG A 47 28.301 34.646 -13.755 1.00 0.00 C ATOM 650 CG ARG A 47 27.958 35.024 -15.197 1.00 0.00 C ATOM 651 CD ARG A 47 27.805 36.542 -15.302 1.00 0.00 C ATOM 652 NE ARG A 47 26.648 36.985 -14.534 1.00 0.00 N ATOM 653 CZ ARG A 47 26.397 38.277 -14.355 1.00 0.00 C ATOM 654 NH1 ARG A 47 27.193 39.173 -14.868 1.00 0.00 N ATOM 655 NH2 ARG A 47 25.353 38.648 -13.665 1.00 0.00 N ATOM 0 H ARG A 47 28.748 33.540 -11.604 1.00 0.00 H new ATOM 0 HA ARG A 47 27.450 32.677 -13.948 1.00 0.00 H new ATOM 0 HB2 ARG A 47 27.540 35.032 -13.077 1.00 0.00 H new ATOM 0 HB3 ARG A 47 29.248 35.102 -13.465 1.00 0.00 H new ATOM 0 HG2 ARG A 47 28.742 34.679 -15.871 1.00 0.00 H new ATOM 0 HG3 ARG A 47 27.035 34.532 -15.504 1.00 0.00 H new ATOM 0 HD2 ARG A 47 28.706 37.032 -14.932 1.00 0.00 H new ATOM 0 HD3 ARG A 47 27.690 36.832 -16.346 1.00 0.00 H new ATOM 0 HE ARG A 47 26.021 36.291 -14.127 1.00 0.00 H new ATOM 0 HH11 ARG A 47 28.009 38.882 -15.407 1.00 0.00 H new ATOM 0 HH12 ARG A 47 27.000 40.165 -14.730 1.00 0.00 H new ATOM 0 HH21 ARG A 47 24.731 37.946 -13.264 1.00 0.00 H new ATOM 0 HH22 ARG A 47 25.159 39.640 -13.527 1.00 0.00 H new ATOM 669 N VAL A 48 30.747 32.736 -14.059 1.00 0.00 N ATOM 670 CA VAL A 48 31.899 32.276 -14.822 1.00 0.00 C ATOM 671 C VAL A 48 31.859 30.762 -14.992 1.00 0.00 C ATOM 672 O VAL A 48 32.143 30.242 -16.071 1.00 0.00 O ATOM 673 CB VAL A 48 33.196 32.688 -14.116 1.00 0.00 C ATOM 674 CG1 VAL A 48 34.399 32.073 -14.841 1.00 0.00 C ATOM 675 CG2 VAL A 48 33.325 34.216 -14.122 1.00 0.00 C ATOM 0 H VAL A 48 30.976 33.161 -13.160 1.00 0.00 H new ATOM 0 HA VAL A 48 31.867 32.738 -15.809 1.00 0.00 H new ATOM 0 HB VAL A 48 33.171 32.329 -13.087 1.00 0.00 H new ATOM 0 HG11 VAL A 48 35.318 32.369 -14.336 1.00 0.00 H new ATOM 0 HG12 VAL A 48 34.313 30.986 -14.832 1.00 0.00 H new ATOM 0 HG13 VAL A 48 34.422 32.426 -15.872 1.00 0.00 H new ATOM 0 HG21 VAL A 48 34.248 34.505 -13.619 1.00 0.00 H new ATOM 0 HG22 VAL A 48 33.344 34.575 -15.151 1.00 0.00 H new ATOM 0 HG23 VAL A 48 32.475 34.655 -13.600 1.00 0.00 H new ATOM 685 N ASN A 49 31.514 30.060 -13.922 1.00 0.00 N ATOM 686 CA ASN A 49 31.451 28.606 -13.970 1.00 0.00 C ATOM 687 C ASN A 49 30.434 28.159 -15.013 1.00 0.00 C ATOM 688 O ASN A 49 30.669 27.206 -15.756 1.00 0.00 O ATOM 689 CB ASN A 49 31.056 28.058 -12.598 1.00 0.00 C ATOM 690 CG ASN A 49 32.188 28.280 -11.598 1.00 0.00 C ATOM 691 OD1 ASN A 49 33.355 28.686 -12.019 1.00 0.00 O flip ATOM 692 ND2 ASN A 49 32.000 28.085 -10.396 1.00 0.00 N flip ATOM 0 H ASN A 49 31.276 30.468 -13.018 1.00 0.00 H new ATOM 0 HA ASN A 49 32.433 28.220 -14.243 1.00 0.00 H new ATOM 0 HB2 ASN A 49 30.149 28.552 -12.248 1.00 0.00 H new ATOM 0 HB3 ASN A 49 30.831 26.994 -12.674 1.00 0.00 H new ATOM 0 HD21 ASN A 49 31.088 27.768 -10.067 1.00 0.00 H new ATOM 0 HD22 ASN A 49 32.756 28.241 -9.730 1.00 0.00 H new ATOM 699 N VAL A 50 29.306 28.858 -15.069 1.00 0.00 N ATOM 700 CA VAL A 50 28.264 28.527 -16.033 1.00 0.00 C ATOM 701 C VAL A 50 28.758 28.755 -17.454 1.00 0.00 C ATOM 702 O VAL A 50 28.514 27.946 -18.349 1.00 0.00 O ATOM 703 CB VAL A 50 27.012 29.369 -15.770 1.00 0.00 C ATOM 704 CG1 VAL A 50 25.979 29.122 -16.872 1.00 0.00 C ATOM 705 CG2 VAL A 50 26.413 28.979 -14.416 1.00 0.00 C ATOM 0 H VAL A 50 29.091 29.651 -14.464 1.00 0.00 H new ATOM 0 HA VAL A 50 28.011 27.473 -15.918 1.00 0.00 H new ATOM 0 HB VAL A 50 27.284 30.425 -15.762 1.00 0.00 H new ATOM 0 HG11 VAL A 50 25.091 29.724 -16.679 1.00 0.00 H new ATOM 0 HG12 VAL A 50 26.403 29.399 -17.837 1.00 0.00 H new ATOM 0 HG13 VAL A 50 25.707 28.067 -16.885 1.00 0.00 H new ATOM 0 HG21 VAL A 50 25.522 29.577 -14.227 1.00 0.00 H new ATOM 0 HG22 VAL A 50 26.145 27.922 -14.427 1.00 0.00 H new ATOM 0 HG23 VAL A 50 27.145 29.159 -13.629 1.00 0.00 H new ATOM 715 N ASP A 51 29.443 29.867 -17.650 1.00 0.00 N ATOM 716 CA ASP A 51 29.966 30.210 -18.969 1.00 0.00 C ATOM 717 C ASP A 51 31.052 29.226 -19.391 1.00 0.00 C ATOM 718 O ASP A 51 31.262 28.991 -20.581 1.00 0.00 O ATOM 719 CB ASP A 51 30.540 31.628 -18.955 1.00 0.00 C ATOM 720 CG ASP A 51 29.411 32.649 -18.850 1.00 0.00 C ATOM 721 OD1 ASP A 51 28.271 32.264 -19.051 1.00 0.00 O ATOM 722 OD2 ASP A 51 29.705 33.800 -18.575 1.00 0.00 O ATOM 0 H ASP A 51 29.652 30.548 -16.920 1.00 0.00 H new ATOM 0 HA ASP A 51 29.146 30.157 -19.685 1.00 0.00 H new ATOM 0 HB2 ASP A 51 31.225 31.743 -18.115 1.00 0.00 H new ATOM 0 HB3 ASP A 51 31.117 31.804 -19.863 1.00 0.00 H new ATOM 727 N LYS A 52 31.738 28.650 -18.410 1.00 0.00 N ATOM 728 CA LYS A 52 32.798 27.693 -18.687 1.00 0.00 C ATOM 729 C LYS A 52 32.223 26.431 -19.313 1.00 0.00 C ATOM 730 O LYS A 52 32.848 25.806 -20.169 1.00 0.00 O ATOM 731 CB LYS A 52 33.536 27.343 -17.395 1.00 0.00 C ATOM 732 CG LYS A 52 34.733 26.447 -17.716 1.00 0.00 C ATOM 733 CD LYS A 52 35.513 26.157 -16.432 1.00 0.00 C ATOM 734 CE LYS A 52 36.719 25.274 -16.758 1.00 0.00 C ATOM 735 NZ LYS A 52 37.489 25.008 -15.510 1.00 0.00 N ATOM 0 H LYS A 52 31.578 28.830 -17.419 1.00 0.00 H new ATOM 0 HA LYS A 52 33.500 28.143 -19.389 1.00 0.00 H new ATOM 0 HB2 LYS A 52 33.873 28.253 -16.898 1.00 0.00 H new ATOM 0 HB3 LYS A 52 32.862 26.834 -16.706 1.00 0.00 H new ATOM 0 HG2 LYS A 52 34.392 25.514 -18.166 1.00 0.00 H new ATOM 0 HG3 LYS A 52 35.380 26.934 -18.445 1.00 0.00 H new ATOM 0 HD2 LYS A 52 35.844 27.090 -15.976 1.00 0.00 H new ATOM 0 HD3 LYS A 52 34.869 25.659 -15.707 1.00 0.00 H new ATOM 0 HE2 LYS A 52 36.387 24.335 -17.201 1.00 0.00 H new ATOM 0 HE3 LYS A 52 37.356 25.766 -17.493 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 38.309 24.408 -15.730 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 37.817 25.908 -15.106 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 36.879 24.522 -14.822 1.00 0.00 H new ATOM 1144 N THR A 79 31.184 8.569 -23.860 1.00 0.00 N ATOM 1145 CA THR A 79 31.624 8.549 -22.470 1.00 0.00 C ATOM 1146 C THR A 79 31.231 9.843 -21.764 1.00 0.00 C ATOM 1147 O THR A 79 30.787 9.825 -20.617 1.00 0.00 O ATOM 1148 CB THR A 79 33.144 8.375 -22.406 1.00 0.00 C ATOM 1149 OG1 THR A 79 33.769 9.447 -23.098 1.00 0.00 O ATOM 1150 CG2 THR A 79 33.534 7.049 -23.056 1.00 0.00 C ATOM 0 HA THR A 79 31.139 7.712 -21.968 1.00 0.00 H new ATOM 0 HB THR A 79 33.468 8.375 -21.365 1.00 0.00 H new ATOM 0 HG1 THR A 79 33.219 9.705 -23.867 1.00 0.00 H new ATOM 0 HG21 THR A 79 34.616 6.926 -23.010 1.00 0.00 H new ATOM 0 HG22 THR A 79 33.052 6.228 -22.525 1.00 0.00 H new ATOM 0 HG23 THR A 79 33.212 7.046 -24.097 1.00 0.00 H new ATOM 1158 N SER A 80 31.399 10.965 -22.456 1.00 0.00 N ATOM 1159 CA SER A 80 31.057 12.262 -21.884 1.00 0.00 C ATOM 1160 C SER A 80 29.568 12.332 -21.567 1.00 0.00 C ATOM 1161 O SER A 80 29.166 12.875 -20.538 1.00 0.00 O ATOM 1162 CB SER A 80 31.429 13.377 -22.861 1.00 0.00 C ATOM 1163 OG SER A 80 30.727 13.185 -24.081 1.00 0.00 O ATOM 0 H SER A 80 31.767 11.003 -23.407 1.00 0.00 H new ATOM 0 HA SER A 80 31.618 12.390 -20.958 1.00 0.00 H new ATOM 0 HB2 SER A 80 31.180 14.349 -22.434 1.00 0.00 H new ATOM 0 HB3 SER A 80 32.504 13.374 -23.042 1.00 0.00 H new ATOM 0 HG SER A 80 30.962 13.899 -24.709 1.00 0.00 H new ATOM 1169 N ALA A 81 28.751 11.781 -22.459 1.00 0.00 N ATOM 1170 CA ALA A 81 27.307 11.788 -22.264 1.00 0.00 C ATOM 1171 C ALA A 81 26.896 10.735 -21.240 1.00 0.00 C ATOM 1172 O ALA A 81 25.810 10.807 -20.665 1.00 0.00 O ATOM 1173 CB ALA A 81 26.600 11.512 -23.593 1.00 0.00 C ATOM 0 H ALA A 81 29.062 11.327 -23.318 1.00 0.00 H new ATOM 0 HA ALA A 81 27.016 12.771 -21.893 1.00 0.00 H new ATOM 0 HB1 ALA A 81 25.521 11.519 -23.439 1.00 0.00 H new ATOM 0 HB2 ALA A 81 26.869 12.283 -24.315 1.00 0.00 H new ATOM 0 HB3 ALA A 81 26.906 10.537 -23.973 1.00 0.00 H new ATOM 1179 N ALA A 82 27.768 9.757 -21.018 1.00 0.00 N ATOM 1180 CA ALA A 82 27.480 8.694 -20.062 1.00 0.00 C ATOM 1181 C ALA A 82 27.355 9.259 -18.651 1.00 0.00 C ATOM 1182 O ALA A 82 26.482 8.854 -17.885 1.00 0.00 O ATOM 1183 CB ALA A 82 28.591 7.643 -20.098 1.00 0.00 C ATOM 0 H ALA A 82 28.673 9.678 -21.483 1.00 0.00 H new ATOM 0 HA ALA A 82 26.533 8.230 -20.339 1.00 0.00 H new ATOM 0 HB1 ALA A 82 28.368 6.853 -19.381 1.00 0.00 H new ATOM 0 HB2 ALA A 82 28.656 7.217 -21.099 1.00 0.00 H new ATOM 0 HB3 ALA A 82 29.542 8.109 -19.840 1.00 0.00 H new ATOM 1189 N LYS A 83 28.235 10.195 -18.314 1.00 0.00 N ATOM 1190 CA LYS A 83 28.215 10.808 -16.994 1.00 0.00 C ATOM 1191 C LYS A 83 26.919 11.582 -16.778 1.00 0.00 C ATOM 1192 O LYS A 83 26.296 11.487 -15.722 1.00 0.00 O ATOM 1193 CB LYS A 83 29.410 11.753 -16.839 1.00 0.00 C ATOM 1194 CG LYS A 83 29.451 12.297 -15.408 1.00 0.00 C ATOM 1195 CD LYS A 83 30.675 13.199 -15.239 1.00 0.00 C ATOM 1196 CE LYS A 83 30.724 13.728 -13.804 1.00 0.00 C ATOM 1197 NZ LYS A 83 31.917 14.606 -13.640 1.00 0.00 N ATOM 0 H LYS A 83 28.967 10.543 -18.933 1.00 0.00 H new ATOM 0 HA LYS A 83 28.278 10.017 -16.247 1.00 0.00 H new ATOM 0 HB2 LYS A 83 30.336 11.225 -17.065 1.00 0.00 H new ATOM 0 HB3 LYS A 83 29.331 12.576 -17.550 1.00 0.00 H new ATOM 0 HG2 LYS A 83 28.541 12.858 -15.195 1.00 0.00 H new ATOM 0 HG3 LYS A 83 29.492 11.473 -14.696 1.00 0.00 H new ATOM 0 HD2 LYS A 83 31.584 12.642 -15.464 1.00 0.00 H new ATOM 0 HD3 LYS A 83 30.628 14.030 -15.943 1.00 0.00 H new ATOM 0 HE2 LYS A 83 29.815 14.286 -13.579 1.00 0.00 H new ATOM 0 HE3 LYS A 83 30.771 12.897 -13.100 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 31.952 14.966 -12.665 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 32.780 14.060 -13.838 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 31.853 15.405 -14.302 1.00 0.00 H new ATOM 1211 N LEU A 84 26.526 12.352 -17.786 1.00 0.00 N ATOM 1212 CA LEU A 84 25.306 13.148 -17.702 1.00 0.00 C ATOM 1213 C LEU A 84 24.093 12.246 -17.559 1.00 0.00 C ATOM 1214 O LEU A 84 23.192 12.522 -16.768 1.00 0.00 O ATOM 1215 CB LEU A 84 25.158 14.010 -18.958 1.00 0.00 C ATOM 1216 CG LEU A 84 26.446 14.804 -19.196 1.00 0.00 C ATOM 1217 CD1 LEU A 84 26.308 15.618 -20.486 1.00 0.00 C ATOM 1218 CD2 LEU A 84 26.703 15.751 -18.013 1.00 0.00 C ATOM 0 H LEU A 84 27.031 12.442 -18.667 1.00 0.00 H new ATOM 0 HA LEU A 84 25.372 13.792 -16.825 1.00 0.00 H new ATOM 0 HB2 LEU A 84 24.944 13.379 -19.821 1.00 0.00 H new ATOM 0 HB3 LEU A 84 24.315 14.692 -18.845 1.00 0.00 H new ATOM 0 HG LEU A 84 27.284 14.113 -19.287 1.00 0.00 H new ATOM 0 HD11 LEU A 84 27.223 16.184 -20.658 1.00 0.00 H new ATOM 0 HD12 LEU A 84 26.135 14.944 -21.325 1.00 0.00 H new ATOM 0 HD13 LEU A 84 25.467 16.306 -20.394 1.00 0.00 H new ATOM 0 HD21 LEU A 84 27.621 16.312 -18.189 1.00 0.00 H new ATOM 0 HD22 LEU A 84 25.867 16.444 -17.913 1.00 0.00 H new ATOM 0 HD23 LEU A 84 26.804 15.169 -17.097 1.00 0.00 H new ATOM 1230 N LYS A 85 24.079 11.162 -18.320 1.00 0.00 N ATOM 1231 CA LYS A 85 22.970 10.223 -18.263 1.00 0.00 C ATOM 1232 C LYS A 85 22.831 9.643 -16.862 1.00 0.00 C ATOM 1233 O LYS A 85 21.722 9.512 -16.343 1.00 0.00 O ATOM 1234 CB LYS A 85 23.192 9.094 -19.278 1.00 0.00 C ATOM 1235 CG LYS A 85 22.077 8.025 -19.154 1.00 0.00 C ATOM 1236 CD LYS A 85 22.600 6.798 -18.393 1.00 0.00 C ATOM 1237 CE LYS A 85 21.494 5.751 -18.288 1.00 0.00 C ATOM 1238 NZ LYS A 85 22.036 4.525 -17.641 1.00 0.00 N ATOM 0 H LYS A 85 24.817 10.912 -18.979 1.00 0.00 H new ATOM 0 HA LYS A 85 22.051 10.754 -18.510 1.00 0.00 H new ATOM 0 HB2 LYS A 85 23.202 9.502 -20.289 1.00 0.00 H new ATOM 0 HB3 LYS A 85 24.166 8.633 -19.111 1.00 0.00 H new ATOM 0 HG2 LYS A 85 21.217 8.445 -18.633 1.00 0.00 H new ATOM 0 HG3 LYS A 85 21.736 7.728 -20.146 1.00 0.00 H new ATOM 0 HD2 LYS A 85 23.464 6.379 -18.909 1.00 0.00 H new ATOM 0 HD3 LYS A 85 22.934 7.090 -17.397 1.00 0.00 H new ATOM 0 HE2 LYS A 85 20.660 6.144 -17.707 1.00 0.00 H new ATOM 0 HE3 LYS A 85 21.108 5.513 -19.279 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 21.285 3.810 -17.568 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 22.819 4.148 -18.213 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 22.384 4.760 -16.689 1.00 0.00 H new ATOM 1252 N ARG A 86 23.960 9.300 -16.254 1.00 0.00 N ATOM 1253 CA ARG A 86 23.948 8.736 -14.909 1.00 0.00 C ATOM 1254 C ARG A 86 23.771 9.831 -13.867 1.00 0.00 C ATOM 1255 O ARG A 86 23.237 9.595 -12.784 1.00 0.00 O ATOM 1256 CB ARG A 86 25.257 7.996 -14.657 1.00 0.00 C ATOM 1257 CG ARG A 86 25.209 7.313 -13.284 1.00 0.00 C ATOM 1258 CD ARG A 86 26.517 6.565 -13.031 1.00 0.00 C ATOM 1259 NE ARG A 86 26.422 5.790 -11.796 1.00 0.00 N ATOM 1260 CZ ARG A 86 26.681 6.341 -10.612 1.00 0.00 C ATOM 1261 NH1 ARG A 86 27.027 7.597 -10.541 1.00 0.00 N ATOM 1262 NH2 ARG A 86 26.588 5.627 -9.524 1.00 0.00 N ATOM 0 H ARG A 86 24.888 9.401 -16.666 1.00 0.00 H new ATOM 0 HA ARG A 86 23.110 8.043 -14.828 1.00 0.00 H new ATOM 0 HB2 ARG A 86 25.422 7.253 -15.438 1.00 0.00 H new ATOM 0 HB3 ARG A 86 26.094 8.693 -14.698 1.00 0.00 H new ATOM 0 HG2 ARG A 86 25.048 8.057 -12.503 1.00 0.00 H new ATOM 0 HG3 ARG A 86 24.369 6.620 -13.242 1.00 0.00 H new ATOM 0 HD2 ARG A 86 26.734 5.903 -13.869 1.00 0.00 H new ATOM 0 HD3 ARG A 86 27.343 7.273 -12.962 1.00 0.00 H new ATOM 0 HE ARG A 86 26.152 4.807 -11.842 1.00 0.00 H new ATOM 0 HH11 ARG A 86 27.099 8.155 -11.392 1.00 0.00 H new ATOM 0 HH12 ARG A 86 27.226 8.021 -9.635 1.00 0.00 H new ATOM 0 HH21 ARG A 86 26.317 4.645 -9.580 1.00 0.00 H new ATOM 0 HH22 ARG A 86 26.787 6.050 -8.618 1.00 0.00 H new ATOM 1403 N LEU A 93 20.480 2.006 -10.912 1.00 0.00 N ATOM 1404 CA LEU A 93 21.598 1.075 -10.817 1.00 0.00 C ATOM 1405 C LEU A 93 21.152 -0.210 -10.124 1.00 0.00 C ATOM 1406 O LEU A 93 21.942 -1.138 -9.944 1.00 0.00 O ATOM 1407 CB LEU A 93 22.750 1.722 -10.022 1.00 0.00 C ATOM 1408 CG LEU A 93 22.179 2.653 -8.923 1.00 0.00 C ATOM 1409 CD1 LEU A 93 23.112 2.660 -7.705 1.00 0.00 C ATOM 1410 CD2 LEU A 93 22.045 4.086 -9.458 1.00 0.00 C ATOM 0 HA LEU A 93 21.945 0.835 -11.822 1.00 0.00 H new ATOM 0 HB2 LEU A 93 23.369 0.948 -9.569 1.00 0.00 H new ATOM 0 HB3 LEU A 93 23.392 2.291 -10.694 1.00 0.00 H new ATOM 0 HG LEU A 93 21.197 2.281 -8.632 1.00 0.00 H new ATOM 0 HD11 LEU A 93 22.703 3.317 -6.937 1.00 0.00 H new ATOM 0 HD12 LEU A 93 23.200 1.649 -7.308 1.00 0.00 H new ATOM 0 HD13 LEU A 93 24.097 3.019 -8.003 1.00 0.00 H new ATOM 0 HD21 LEU A 93 21.643 4.730 -8.676 1.00 0.00 H new ATOM 0 HD22 LEU A 93 23.025 4.454 -9.763 1.00 0.00 H new ATOM 0 HD23 LEU A 93 21.372 4.093 -10.316 1.00 0.00 H new ATOM 1422 N LYS A 94 19.885 -0.257 -9.736 1.00 0.00 N ATOM 1423 CA LYS A 94 19.350 -1.432 -9.060 1.00 0.00 C ATOM 1424 C LYS A 94 19.469 -2.659 -9.954 1.00 0.00 C ATOM 1425 O LYS A 94 19.739 -3.759 -9.476 1.00 0.00 O ATOM 1426 CB LYS A 94 17.884 -1.204 -8.689 1.00 0.00 C ATOM 1427 CG LYS A 94 17.375 -2.392 -7.870 1.00 0.00 C ATOM 1428 CD LYS A 94 15.928 -2.136 -7.448 1.00 0.00 C ATOM 1429 CE LYS A 94 15.422 -3.317 -6.615 1.00 0.00 C ATOM 1430 NZ LYS A 94 14.018 -3.056 -6.187 1.00 0.00 N ATOM 0 H LYS A 94 19.213 0.498 -9.876 1.00 0.00 H new ATOM 0 HA LYS A 94 19.927 -1.600 -8.151 1.00 0.00 H new ATOM 0 HB2 LYS A 94 17.782 -0.283 -8.116 1.00 0.00 H new ATOM 0 HB3 LYS A 94 17.283 -1.086 -9.591 1.00 0.00 H new ATOM 0 HG2 LYS A 94 17.437 -3.307 -8.459 1.00 0.00 H new ATOM 0 HG3 LYS A 94 18.002 -2.536 -6.990 1.00 0.00 H new ATOM 0 HD2 LYS A 94 15.865 -1.215 -6.869 1.00 0.00 H new ATOM 0 HD3 LYS A 94 15.299 -2.003 -8.328 1.00 0.00 H new ATOM 0 HE2 LYS A 94 15.471 -4.236 -7.199 1.00 0.00 H new ATOM 0 HE3 LYS A 94 16.059 -3.460 -5.742 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 13.673 -3.857 -5.621 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 13.985 -2.188 -5.615 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 13.415 -2.940 -7.026 1.00 0.00 H new ATOM 1444 N MET A 95 19.271 -2.459 -11.251 1.00 0.00 N ATOM 1445 CA MET A 95 19.361 -3.557 -12.206 1.00 0.00 C ATOM 1446 C MET A 95 20.778 -4.127 -12.231 1.00 0.00 C ATOM 1447 O MET A 95 20.973 -5.337 -12.339 1.00 0.00 O ATOM 1448 CB MET A 95 18.978 -3.066 -13.605 1.00 0.00 C ATOM 1449 CG MET A 95 17.460 -2.890 -13.689 1.00 0.00 C ATOM 1450 SD MET A 95 17.001 -2.377 -15.364 1.00 0.00 S ATOM 1451 CE MET A 95 17.723 -0.718 -15.314 1.00 0.00 C ATOM 0 H MET A 95 19.049 -1.553 -11.664 1.00 0.00 H new ATOM 0 HA MET A 95 18.671 -4.342 -11.898 1.00 0.00 H new ATOM 0 HB2 MET A 95 19.476 -2.120 -13.819 1.00 0.00 H new ATOM 0 HB3 MET A 95 19.314 -3.780 -14.357 1.00 0.00 H new ATOM 0 HG2 MET A 95 16.961 -3.825 -13.434 1.00 0.00 H new ATOM 0 HG3 MET A 95 17.129 -2.144 -12.966 1.00 0.00 H new ATOM 0 HE1 MET A 95 17.009 0.002 -15.715 1.00 0.00 H new ATOM 0 HE2 MET A 95 17.962 -0.456 -14.283 1.00 0.00 H new ATOM 0 HE3 MET A 95 18.633 -0.699 -15.914 1.00 0.00 H new ATOM 1461 N MET A 96 21.765 -3.247 -12.141 1.00 0.00 N ATOM 1462 CA MET A 96 23.159 -3.672 -12.156 1.00 0.00 C ATOM 1463 C MET A 96 23.495 -4.485 -10.907 1.00 0.00 C ATOM 1464 O MET A 96 24.242 -5.460 -10.975 1.00 0.00 O ATOM 1465 CB MET A 96 24.076 -2.451 -12.232 1.00 0.00 C ATOM 1466 CG MET A 96 23.682 -1.594 -13.436 1.00 0.00 C ATOM 1467 SD MET A 96 23.920 -2.536 -14.968 1.00 0.00 S ATOM 1468 CE MET A 96 25.733 -2.548 -14.980 1.00 0.00 C ATOM 0 H MET A 96 21.629 -2.240 -12.057 1.00 0.00 H new ATOM 0 HA MET A 96 23.313 -4.301 -13.033 1.00 0.00 H new ATOM 0 HB2 MET A 96 23.999 -1.867 -11.315 1.00 0.00 H new ATOM 0 HB3 MET A 96 25.115 -2.768 -12.322 1.00 0.00 H new ATOM 0 HG2 MET A 96 22.641 -1.284 -13.348 1.00 0.00 H new ATOM 0 HG3 MET A 96 24.284 -0.686 -13.460 1.00 0.00 H new ATOM 0 HE1 MET A 96 26.093 -2.209 -15.951 1.00 0.00 H new ATOM 0 HE2 MET A 96 26.106 -1.882 -14.202 1.00 0.00 H new ATOM 0 HE3 MET A 96 26.091 -3.560 -14.794 1.00 0.00 H new ATOM 1478 N ILE A 97 22.955 -4.064 -9.763 1.00 0.00 N ATOM 1479 CA ILE A 97 23.226 -4.756 -8.505 1.00 0.00 C ATOM 1480 C ILE A 97 22.739 -6.202 -8.557 1.00 0.00 C ATOM 1481 O ILE A 97 23.478 -7.126 -8.226 1.00 0.00 O ATOM 1482 CB ILE A 97 22.524 -4.030 -7.350 1.00 0.00 C ATOM 1483 CG1 ILE A 97 23.133 -2.630 -7.185 1.00 0.00 C ATOM 1484 CG2 ILE A 97 22.702 -4.825 -6.051 1.00 0.00 C ATOM 1485 CD1 ILE A 97 22.325 -1.822 -6.163 1.00 0.00 C ATOM 0 H ILE A 97 22.335 -3.258 -9.682 1.00 0.00 H new ATOM 0 HA ILE A 97 24.304 -4.756 -8.346 1.00 0.00 H new ATOM 0 HB ILE A 97 21.460 -3.942 -7.571 1.00 0.00 H new ATOM 0 HG12 ILE A 97 24.170 -2.712 -6.858 1.00 0.00 H new ATOM 0 HG13 ILE A 97 23.141 -2.113 -8.145 1.00 0.00 H new ATOM 0 HG21 ILE A 97 22.201 -4.305 -5.234 1.00 0.00 H new ATOM 0 HG22 ILE A 97 22.267 -5.818 -6.169 1.00 0.00 H new ATOM 0 HG23 ILE A 97 23.764 -4.919 -5.824 1.00 0.00 H new ATOM 0 HD11 ILE A 97 22.765 -0.831 -6.053 1.00 0.00 H new ATOM 0 HD12 ILE A 97 21.295 -1.726 -6.507 1.00 0.00 H new ATOM 0 HD13 ILE A 97 22.340 -2.334 -5.201 1.00 0.00 H new ATOM 1497 N ILE A 98 21.494 -6.389 -8.982 1.00 0.00 N ATOM 1498 CA ILE A 98 20.923 -7.727 -9.074 1.00 0.00 C ATOM 1499 C ILE A 98 21.632 -8.542 -10.150 1.00 0.00 C ATOM 1500 O ILE A 98 21.858 -9.739 -9.988 1.00 0.00 O ATOM 1501 CB ILE A 98 19.427 -7.642 -9.381 1.00 0.00 C ATOM 1502 CG1 ILE A 98 18.860 -9.048 -9.583 1.00 0.00 C ATOM 1503 CG2 ILE A 98 19.215 -6.815 -10.643 1.00 0.00 C ATOM 1504 CD1 ILE A 98 17.331 -8.985 -9.573 1.00 0.00 C ATOM 0 H ILE A 98 20.866 -5.637 -9.266 1.00 0.00 H new ATOM 0 HA ILE A 98 21.061 -8.226 -8.115 1.00 0.00 H new ATOM 0 HB ILE A 98 18.912 -7.167 -8.546 1.00 0.00 H new ATOM 0 HG12 ILE A 98 19.212 -9.462 -10.528 1.00 0.00 H new ATOM 0 HG13 ILE A 98 19.213 -9.711 -8.793 1.00 0.00 H new ATOM 0 HG21 ILE A 98 18.149 -6.754 -10.863 1.00 0.00 H new ATOM 0 HG22 ILE A 98 19.613 -5.811 -10.491 1.00 0.00 H new ATOM 0 HG23 ILE A 98 19.731 -7.287 -11.479 1.00 0.00 H new ATOM 0 HD11 ILE A 98 16.925 -9.986 -9.717 1.00 0.00 H new ATOM 0 HD12 ILE A 98 16.989 -8.589 -8.617 1.00 0.00 H new ATOM 0 HD13 ILE A 98 16.988 -8.335 -10.378 1.00 0.00 H new ATOM 1516 N LEU A 99 21.979 -7.883 -11.246 1.00 0.00 N ATOM 1517 CA LEU A 99 22.662 -8.552 -12.345 1.00 0.00 C ATOM 1518 C LEU A 99 24.022 -9.071 -11.887 1.00 0.00 C ATOM 1519 O LEU A 99 24.439 -10.166 -12.267 1.00 0.00 O ATOM 1520 CB LEU A 99 22.834 -7.580 -13.520 1.00 0.00 C ATOM 1521 CG LEU A 99 21.514 -7.455 -14.302 1.00 0.00 C ATOM 1522 CD1 LEU A 99 21.582 -6.224 -15.211 1.00 0.00 C ATOM 1523 CD2 LEU A 99 21.268 -8.713 -15.161 1.00 0.00 C ATOM 0 H LEU A 99 21.800 -6.890 -11.398 1.00 0.00 H new ATOM 0 HA LEU A 99 22.060 -9.400 -12.671 1.00 0.00 H new ATOM 0 HB2 LEU A 99 23.141 -6.601 -13.150 1.00 0.00 H new ATOM 0 HB3 LEU A 99 23.625 -7.933 -14.181 1.00 0.00 H new ATOM 0 HG LEU A 99 20.693 -7.352 -13.592 1.00 0.00 H new ATOM 0 HD11 LEU A 99 20.649 -6.131 -15.767 1.00 0.00 H new ATOM 0 HD12 LEU A 99 21.733 -5.331 -14.604 1.00 0.00 H new ATOM 0 HD13 LEU A 99 22.412 -6.333 -15.909 1.00 0.00 H new ATOM 0 HD21 LEU A 99 20.330 -8.604 -15.705 1.00 0.00 H new ATOM 0 HD22 LEU A 99 22.087 -8.835 -15.870 1.00 0.00 H new ATOM 0 HD23 LEU A 99 21.213 -9.589 -14.515 1.00 0.00 H new ATOM 1535 N GLY A 100 24.710 -8.278 -11.076 1.00 0.00 N ATOM 1536 CA GLY A 100 26.022 -8.674 -10.580 1.00 0.00 C ATOM 1537 C GLY A 100 25.928 -9.955 -9.758 1.00 0.00 C ATOM 1538 O GLY A 100 26.844 -10.776 -9.766 1.00 0.00 O ATOM 0 H GLY A 100 24.387 -7.367 -10.750 1.00 0.00 H new ATOM 0 HA2 GLY A 100 26.702 -8.824 -11.418 1.00 0.00 H new ATOM 0 HA3 GLY A 100 26.441 -7.875 -9.969 1.00 0.00 H new ATOM 1542 N VAL A 101 24.818 -10.119 -9.051 1.00 0.00 N ATOM 1543 CA VAL A 101 24.621 -11.307 -8.227 1.00 0.00 C ATOM 1544 C VAL A 101 24.588 -12.567 -9.093 1.00 0.00 C ATOM 1545 O VAL A 101 25.185 -13.585 -8.747 1.00 0.00 O ATOM 1546 CB VAL A 101 23.310 -11.190 -7.442 1.00 0.00 C ATOM 1547 CG1 VAL A 101 23.046 -12.490 -6.677 1.00 0.00 C ATOM 1548 CG2 VAL A 101 23.412 -10.032 -6.450 1.00 0.00 C ATOM 0 H VAL A 101 24.046 -9.452 -9.030 1.00 0.00 H new ATOM 0 HA VAL A 101 25.456 -11.382 -7.531 1.00 0.00 H new ATOM 0 HB VAL A 101 22.491 -11.007 -8.137 1.00 0.00 H new ATOM 0 HG11 VAL A 101 22.113 -12.402 -6.121 1.00 0.00 H new ATOM 0 HG12 VAL A 101 22.971 -13.318 -7.382 1.00 0.00 H new ATOM 0 HG13 VAL A 101 23.866 -12.677 -5.983 1.00 0.00 H new ATOM 0 HG21 VAL A 101 22.480 -9.948 -5.891 1.00 0.00 H new ATOM 0 HG22 VAL A 101 24.234 -10.217 -5.759 1.00 0.00 H new ATOM 0 HG23 VAL A 101 23.595 -9.104 -6.992 1.00 0.00 H new ATOM 1558 N ILE A 102 23.867 -12.495 -10.209 1.00 0.00 N ATOM 1559 CA ILE A 102 23.743 -13.642 -11.104 1.00 0.00 C ATOM 1560 C ILE A 102 25.096 -14.014 -11.686 1.00 0.00 C ATOM 1561 O ILE A 102 25.469 -15.187 -11.735 1.00 0.00 O ATOM 1562 CB ILE A 102 22.774 -13.301 -12.242 1.00 0.00 C ATOM 1563 CG1 ILE A 102 21.498 -12.665 -11.670 1.00 0.00 C ATOM 1564 CG2 ILE A 102 22.395 -14.583 -12.985 1.00 0.00 C ATOM 1565 CD1 ILE A 102 20.985 -13.490 -10.491 1.00 0.00 C ATOM 0 H ILE A 102 23.364 -11.662 -10.513 1.00 0.00 H new ATOM 0 HA ILE A 102 23.361 -14.490 -10.535 1.00 0.00 H new ATOM 0 HB ILE A 102 23.257 -12.601 -12.923 1.00 0.00 H new ATOM 0 HG12 ILE A 102 21.704 -11.644 -11.348 1.00 0.00 H new ATOM 0 HG13 ILE A 102 20.733 -12.607 -12.444 1.00 0.00 H new ATOM 0 HG21 ILE A 102 21.706 -14.344 -13.795 1.00 0.00 H new ATOM 0 HG22 ILE A 102 23.293 -15.044 -13.397 1.00 0.00 H new ATOM 0 HG23 ILE A 102 21.916 -15.276 -12.294 1.00 0.00 H new ATOM 0 HD11 ILE A 102 20.080 -13.031 -10.092 1.00 0.00 H new ATOM 0 HD12 ILE A 102 20.761 -14.503 -10.826 1.00 0.00 H new ATOM 0 HD13 ILE A 102 21.747 -13.525 -9.713 1.00 0.00 H new ATOM 1577 N CYS A 103 25.817 -13.004 -12.123 1.00 0.00 N ATOM 1578 CA CYS A 103 27.141 -13.212 -12.710 1.00 0.00 C ATOM 1579 C CYS A 103 28.103 -13.782 -11.673 1.00 0.00 C ATOM 1580 O CYS A 103 28.943 -14.624 -11.984 1.00 0.00 O ATOM 1581 CB CYS A 103 27.694 -11.896 -13.272 1.00 0.00 C ATOM 1582 SG CYS A 103 28.427 -10.898 -11.945 1.00 0.00 S ATOM 0 H CYS A 103 25.518 -12.030 -12.087 1.00 0.00 H new ATOM 0 HA CYS A 103 27.042 -13.927 -13.527 1.00 0.00 H new ATOM 0 HB2 CYS A 103 28.444 -12.106 -14.034 1.00 0.00 H new ATOM 0 HB3 CYS A 103 26.894 -11.336 -13.757 1.00 0.00 H new ATOM 0 HG CYS A 103 27.662 -10.943 -10.895 1.00 0.00 H new ATOM 1588 N ALA A 104 27.973 -13.306 -10.441 1.00 0.00 N ATOM 1589 CA ALA A 104 28.836 -13.762 -9.359 1.00 0.00 C ATOM 1590 C ALA A 104 28.690 -15.267 -9.154 1.00 0.00 C ATOM 1591 O ALA A 104 29.668 -15.962 -8.873 1.00 0.00 O ATOM 1592 CB ALA A 104 28.475 -13.033 -8.063 1.00 0.00 C ATOM 0 H ALA A 104 27.282 -12.608 -10.167 1.00 0.00 H new ATOM 0 HA ALA A 104 29.870 -13.542 -9.626 1.00 0.00 H new ATOM 0 HB1 ALA A 104 29.124 -13.379 -7.258 1.00 0.00 H new ATOM 0 HB2 ALA A 104 28.607 -11.960 -8.200 1.00 0.00 H new ATOM 0 HB3 ALA A 104 27.436 -13.241 -7.806 1.00 0.00 H new ATOM 1598 N ILE A 105 27.467 -15.765 -9.298 1.00 0.00 N ATOM 1599 CA ILE A 105 27.206 -17.190 -9.125 1.00 0.00 C ATOM 1600 C ILE A 105 27.957 -18.003 -10.177 1.00 0.00 C ATOM 1601 O ILE A 105 28.547 -19.040 -9.872 1.00 0.00 O ATOM 1602 CB ILE A 105 25.704 -17.464 -9.237 1.00 0.00 C ATOM 1603 CG1 ILE A 105 24.985 -16.828 -8.045 1.00 0.00 C ATOM 1604 CG2 ILE A 105 25.453 -18.976 -9.228 1.00 0.00 C ATOM 1605 CD1 ILE A 105 23.472 -16.866 -8.277 1.00 0.00 C ATOM 0 H ILE A 105 26.645 -15.208 -9.532 1.00 0.00 H new ATOM 0 HA ILE A 105 27.555 -17.488 -8.136 1.00 0.00 H new ATOM 0 HB ILE A 105 25.327 -17.039 -10.167 1.00 0.00 H new ATOM 0 HG12 ILE A 105 25.236 -17.362 -7.129 1.00 0.00 H new ATOM 0 HG13 ILE A 105 25.317 -15.798 -7.914 1.00 0.00 H new ATOM 0 HG21 ILE A 105 24.383 -19.168 -9.308 1.00 0.00 H new ATOM 0 HG22 ILE A 105 25.968 -19.435 -10.072 1.00 0.00 H new ATOM 0 HG23 ILE A 105 25.829 -19.402 -8.298 1.00 0.00 H new ATOM 0 HD11 ILE A 105 22.962 -16.413 -7.427 1.00 0.00 H new ATOM 0 HD12 ILE A 105 23.229 -16.312 -9.184 1.00 0.00 H new ATOM 0 HD13 ILE A 105 23.146 -17.901 -8.386 1.00 0.00 H new ATOM 1617 N ILE A 106 27.926 -17.526 -11.418 1.00 0.00 N ATOM 1618 CA ILE A 106 28.602 -18.220 -12.507 1.00 0.00 C ATOM 1619 C ILE A 106 30.084 -18.372 -12.192 1.00 0.00 C ATOM 1620 O ILE A 106 30.724 -19.335 -12.611 1.00 0.00 O ATOM 1621 CB ILE A 106 28.429 -17.439 -13.814 1.00 0.00 C ATOM 1622 CG1 ILE A 106 26.938 -17.213 -14.073 1.00 0.00 C ATOM 1623 CG2 ILE A 106 29.027 -18.236 -14.977 1.00 0.00 C ATOM 1624 CD1 ILE A 106 26.762 -16.316 -15.300 1.00 0.00 C ATOM 0 H ILE A 106 27.444 -16.670 -11.692 1.00 0.00 H new ATOM 0 HA ILE A 106 28.159 -19.210 -12.620 1.00 0.00 H new ATOM 0 HB ILE A 106 28.941 -16.480 -13.732 1.00 0.00 H new ATOM 0 HG12 ILE A 106 26.437 -18.168 -14.233 1.00 0.00 H new ATOM 0 HG13 ILE A 106 26.473 -16.751 -13.202 1.00 0.00 H new ATOM 0 HG21 ILE A 106 28.901 -17.677 -15.904 1.00 0.00 H new ATOM 0 HG22 ILE A 106 30.089 -18.404 -14.795 1.00 0.00 H new ATOM 0 HG23 ILE A 106 28.517 -19.196 -15.061 1.00 0.00 H new ATOM 0 HD11 ILE A 106 25.700 -16.155 -15.484 1.00 0.00 H new ATOM 0 HD12 ILE A 106 27.249 -15.357 -15.122 1.00 0.00 H new ATOM 0 HD13 ILE A 106 27.212 -16.796 -16.169 1.00 0.00 H new ATOM 1636 N LEU A 107 30.628 -17.418 -11.454 1.00 0.00 N ATOM 1637 CA LEU A 107 32.038 -17.463 -11.091 1.00 0.00 C ATOM 1638 C LEU A 107 32.310 -18.608 -10.116 1.00 0.00 C ATOM 1639 O LEU A 107 33.374 -19.227 -10.155 1.00 0.00 O ATOM 1640 CB LEU A 107 32.471 -16.134 -10.463 1.00 0.00 C ATOM 1641 CG LEU A 107 33.980 -16.154 -10.168 1.00 0.00 C ATOM 1642 CD1 LEU A 107 34.783 -16.313 -11.476 1.00 0.00 C ATOM 1643 CD2 LEU A 107 34.369 -14.842 -9.475 1.00 0.00 C ATOM 0 H LEU A 107 30.121 -16.609 -11.096 1.00 0.00 H new ATOM 0 HA LEU A 107 32.615 -17.633 -12.000 1.00 0.00 H new ATOM 0 HB2 LEU A 107 32.236 -15.311 -11.137 1.00 0.00 H new ATOM 0 HB3 LEU A 107 31.915 -15.960 -9.542 1.00 0.00 H new ATOM 0 HG LEU A 107 34.209 -16.999 -9.519 1.00 0.00 H new ATOM 0 HD11 LEU A 107 35.849 -16.325 -11.249 1.00 0.00 H new ATOM 0 HD12 LEU A 107 34.505 -17.248 -11.962 1.00 0.00 H new ATOM 0 HD13 LEU A 107 34.563 -15.478 -12.142 1.00 0.00 H new ATOM 0 HD21 LEU A 107 35.438 -14.846 -9.261 1.00 0.00 H new ATOM 0 HD22 LEU A 107 34.133 -14.002 -10.128 1.00 0.00 H new ATOM 0 HD23 LEU A 107 33.813 -14.744 -8.543 1.00 0.00 H new ATOM 1655 N ILE A 108 31.360 -18.860 -9.220 1.00 0.00 N ATOM 1656 CA ILE A 108 31.530 -19.910 -8.217 1.00 0.00 C ATOM 1657 C ILE A 108 31.734 -21.272 -8.873 1.00 0.00 C ATOM 1658 O ILE A 108 32.653 -22.007 -8.517 1.00 0.00 O ATOM 1659 CB ILE A 108 30.292 -19.965 -7.322 1.00 0.00 C ATOM 1660 CG1 ILE A 108 30.007 -18.571 -6.745 1.00 0.00 C ATOM 1661 CG2 ILE A 108 30.514 -20.965 -6.185 1.00 0.00 C ATOM 1662 CD1 ILE A 108 31.229 -18.028 -5.989 1.00 0.00 C ATOM 0 H ILE A 108 30.473 -18.359 -9.166 1.00 0.00 H new ATOM 0 HA ILE A 108 32.414 -19.675 -7.625 1.00 0.00 H new ATOM 0 HB ILE A 108 29.436 -20.288 -7.915 1.00 0.00 H new ATOM 0 HG12 ILE A 108 29.740 -17.887 -7.551 1.00 0.00 H new ATOM 0 HG13 ILE A 108 29.151 -18.620 -6.072 1.00 0.00 H new ATOM 0 HG21 ILE A 108 29.628 -20.998 -5.552 1.00 0.00 H new ATOM 0 HG22 ILE A 108 30.700 -21.955 -6.602 1.00 0.00 H new ATOM 0 HG23 ILE A 108 31.373 -20.655 -5.590 1.00 0.00 H new ATOM 0 HD11 ILE A 108 31.001 -17.040 -5.590 1.00 0.00 H new ATOM 0 HD12 ILE A 108 31.478 -18.701 -5.169 1.00 0.00 H new ATOM 0 HD13 ILE A 108 32.077 -17.957 -6.671 1.00 0.00 H new ATOM 1674 N ILE A 109 30.878 -21.602 -9.831 1.00 0.00 N ATOM 1675 CA ILE A 109 30.982 -22.878 -10.528 1.00 0.00 C ATOM 1676 C ILE A 109 32.275 -22.951 -11.338 1.00 0.00 C ATOM 1677 O ILE A 109 32.928 -23.993 -11.384 1.00 0.00 O ATOM 1678 CB ILE A 109 29.770 -23.075 -11.441 1.00 0.00 C ATOM 1679 CG1 ILE A 109 29.574 -21.832 -12.305 1.00 0.00 C ATOM 1680 CG2 ILE A 109 28.521 -23.305 -10.589 1.00 0.00 C ATOM 1681 CD1 ILE A 109 28.407 -22.046 -13.266 1.00 0.00 C ATOM 0 H ILE A 109 30.109 -21.009 -10.142 1.00 0.00 H new ATOM 0 HA ILE A 109 31.001 -23.677 -9.787 1.00 0.00 H new ATOM 0 HB ILE A 109 29.937 -23.940 -12.083 1.00 0.00 H new ATOM 0 HG12 ILE A 109 29.381 -20.965 -11.672 1.00 0.00 H new ATOM 0 HG13 ILE A 109 30.484 -21.621 -12.866 1.00 0.00 H new ATOM 0 HG21 ILE A 109 27.658 -23.445 -11.239 1.00 0.00 H new ATOM 0 HG22 ILE A 109 28.659 -24.193 -9.973 1.00 0.00 H new ATOM 0 HG23 ILE A 109 28.355 -22.440 -9.947 1.00 0.00 H new ATOM 0 HD11 ILE A 109 28.273 -21.155 -13.879 1.00 0.00 H new ATOM 0 HD12 ILE A 109 28.617 -22.901 -13.909 1.00 0.00 H new ATOM 0 HD13 ILE A 109 27.497 -22.235 -12.697 1.00 0.00 H new ATOM 1693 N ILE A 110 32.646 -21.838 -11.965 1.00 0.00 N ATOM 1694 CA ILE A 110 33.867 -21.784 -12.763 1.00 0.00 C ATOM 1695 C ILE A 110 35.087 -22.078 -11.894 1.00 0.00 C ATOM 1696 O ILE A 110 35.993 -22.798 -12.308 1.00 0.00 O ATOM 1697 CB ILE A 110 34.010 -20.404 -13.422 1.00 0.00 C ATOM 1698 CG1 ILE A 110 32.960 -20.253 -14.529 1.00 0.00 C ATOM 1699 CG2 ILE A 110 35.410 -20.247 -14.023 1.00 0.00 C ATOM 1700 CD1 ILE A 110 32.894 -18.793 -14.981 1.00 0.00 C ATOM 0 H ILE A 110 32.121 -20.964 -11.936 1.00 0.00 H new ATOM 0 HA ILE A 110 33.804 -22.543 -13.543 1.00 0.00 H new ATOM 0 HB ILE A 110 33.860 -19.634 -12.665 1.00 0.00 H new ATOM 0 HG12 ILE A 110 33.213 -20.894 -15.373 1.00 0.00 H new ATOM 0 HG13 ILE A 110 31.985 -20.576 -14.165 1.00 0.00 H new ATOM 0 HG21 ILE A 110 35.499 -19.265 -14.487 1.00 0.00 H new ATOM 0 HG22 ILE A 110 36.157 -20.345 -13.235 1.00 0.00 H new ATOM 0 HG23 ILE A 110 35.572 -21.019 -14.775 1.00 0.00 H new ATOM 0 HD11 ILE A 110 32.147 -18.689 -15.768 1.00 0.00 H new ATOM 0 HD12 ILE A 110 32.620 -18.162 -14.135 1.00 0.00 H new ATOM 0 HD13 ILE A 110 33.868 -18.486 -15.363 1.00 0.00 H new ATOM 1712 N ILE A 111 35.106 -21.510 -10.699 1.00 0.00 N ATOM 1713 CA ILE A 111 36.227 -21.713 -9.792 1.00 0.00 C ATOM 1714 C ILE A 111 36.363 -23.193 -9.439 1.00 0.00 C ATOM 1715 O ILE A 111 37.471 -23.726 -9.385 1.00 0.00 O ATOM 1716 CB ILE A 111 36.021 -20.887 -8.514 1.00 0.00 C ATOM 1717 CG1 ILE A 111 36.146 -19.379 -8.830 1.00 0.00 C ATOM 1718 CG2 ILE A 111 37.056 -21.297 -7.456 1.00 0.00 C ATOM 1719 CD1 ILE A 111 37.616 -18.924 -8.808 1.00 0.00 C ATOM 0 H ILE A 111 34.366 -20.910 -10.336 1.00 0.00 H new ATOM 0 HA ILE A 111 37.142 -21.386 -10.286 1.00 0.00 H new ATOM 0 HB ILE A 111 35.022 -21.079 -8.123 1.00 0.00 H new ATOM 0 HG12 ILE A 111 35.714 -19.173 -9.809 1.00 0.00 H new ATOM 0 HG13 ILE A 111 35.574 -18.804 -8.102 1.00 0.00 H new ATOM 0 HG21 ILE A 111 36.905 -20.708 -6.552 1.00 0.00 H new ATOM 0 HG22 ILE A 111 36.939 -22.355 -7.223 1.00 0.00 H new ATOM 0 HG23 ILE A 111 38.060 -21.119 -7.841 1.00 0.00 H new ATOM 0 HD11 ILE A 111 37.671 -17.859 -9.034 1.00 0.00 H new ATOM 0 HD12 ILE A 111 38.039 -19.108 -7.820 1.00 0.00 H new ATOM 0 HD13 ILE A 111 38.181 -19.483 -9.554 1.00 0.00 H new ATOM 1731 N VAL A 112 35.239 -23.848 -9.190 1.00 0.00 N ATOM 1732 CA VAL A 112 35.257 -25.256 -8.836 1.00 0.00 C ATOM 1733 C VAL A 112 35.868 -26.071 -9.964 1.00 0.00 C ATOM 1734 O VAL A 112 36.704 -26.946 -9.730 1.00 0.00 O ATOM 1735 CB VAL A 112 33.831 -25.736 -8.565 1.00 0.00 C ATOM 1736 CG1 VAL A 112 33.834 -27.249 -8.324 1.00 0.00 C ATOM 1737 CG2 VAL A 112 33.280 -25.022 -7.328 1.00 0.00 C ATOM 0 H VAL A 112 34.310 -23.429 -9.227 1.00 0.00 H new ATOM 0 HA VAL A 112 35.860 -25.389 -7.938 1.00 0.00 H new ATOM 0 HB VAL A 112 33.203 -25.510 -9.426 1.00 0.00 H new ATOM 0 HG11 VAL A 112 32.816 -27.589 -8.131 1.00 0.00 H new ATOM 0 HG12 VAL A 112 34.225 -27.757 -9.205 1.00 0.00 H new ATOM 0 HG13 VAL A 112 34.463 -27.479 -7.464 1.00 0.00 H new ATOM 0 HG21 VAL A 112 32.263 -25.363 -7.134 1.00 0.00 H new ATOM 0 HG22 VAL A 112 33.909 -25.248 -6.467 1.00 0.00 H new ATOM 0 HG23 VAL A 112 33.275 -23.946 -7.501 1.00 0.00 H new ATOM 1747 N TYR A 113 35.449 -25.784 -11.191 1.00 0.00 N ATOM 1748 CA TYR A 113 35.966 -26.505 -12.341 1.00 0.00 C ATOM 1749 C TYR A 113 37.459 -26.261 -12.508 1.00 0.00 C ATOM 1750 O TYR A 113 38.211 -27.165 -12.871 1.00 0.00 O ATOM 1751 CB TYR A 113 35.225 -26.090 -13.621 1.00 0.00 C ATOM 1752 CG TYR A 113 33.854 -26.735 -13.655 1.00 0.00 C ATOM 1753 CD1 TYR A 113 33.743 -28.130 -13.741 1.00 0.00 C ATOM 1754 CD2 TYR A 113 32.698 -25.946 -13.598 1.00 0.00 C ATOM 1755 CE1 TYR A 113 32.479 -28.731 -13.770 1.00 0.00 C ATOM 1756 CE2 TYR A 113 31.435 -26.550 -13.623 1.00 0.00 C ATOM 1757 CZ TYR A 113 31.326 -27.943 -13.709 1.00 0.00 C ATOM 1758 OH TYR A 113 30.081 -28.539 -13.735 1.00 0.00 O ATOM 0 H TYR A 113 34.760 -25.065 -11.411 1.00 0.00 H new ATOM 0 HA TYR A 113 35.802 -27.569 -12.167 1.00 0.00 H new ATOM 0 HB2 TYR A 113 35.127 -25.005 -13.660 1.00 0.00 H new ATOM 0 HB3 TYR A 113 35.799 -26.390 -14.498 1.00 0.00 H new ATOM 0 HD1 TYR A 113 34.633 -28.741 -13.785 1.00 0.00 H new ATOM 0 HD2 TYR A 113 32.781 -24.871 -13.535 1.00 0.00 H new ATOM 0 HE1 TYR A 113 32.394 -29.805 -13.840 1.00 0.00 H new ATOM 0 HE2 TYR A 113 30.544 -25.941 -13.576 1.00 0.00 H new ATOM 0 HH TYR A 113 29.387 -27.849 -13.683 1.00 0.00 H new ATOM 1768 N PHE A 114 37.875 -25.034 -12.252 1.00 0.00 N ATOM 1769 CA PHE A 114 39.279 -24.669 -12.383 1.00 0.00 C ATOM 1770 C PHE A 114 40.144 -25.504 -11.450 1.00 0.00 C ATOM 1771 O PHE A 114 41.197 -26.007 -11.844 1.00 0.00 O ATOM 1772 CB PHE A 114 39.466 -23.184 -12.070 1.00 0.00 C ATOM 1773 CG PHE A 114 40.918 -22.810 -12.247 1.00 0.00 C ATOM 1774 CD1 PHE A 114 41.412 -22.502 -13.521 1.00 0.00 C ATOM 1775 CD2 PHE A 114 41.770 -22.770 -11.138 1.00 0.00 C ATOM 1776 CE1 PHE A 114 42.758 -22.156 -13.685 1.00 0.00 C ATOM 1777 CE2 PHE A 114 43.117 -22.421 -11.302 1.00 0.00 C ATOM 1778 CZ PHE A 114 43.612 -22.115 -12.576 1.00 0.00 C ATOM 0 H PHE A 114 37.265 -24.273 -11.953 1.00 0.00 H new ATOM 0 HA PHE A 114 39.588 -24.863 -13.410 1.00 0.00 H new ATOM 0 HB2 PHE A 114 38.841 -22.581 -12.729 1.00 0.00 H new ATOM 0 HB3 PHE A 114 39.147 -22.974 -11.049 1.00 0.00 H new ATOM 0 HD1 PHE A 114 40.754 -22.532 -14.377 1.00 0.00 H new ATOM 0 HD2 PHE A 114 41.389 -23.008 -10.156 1.00 0.00 H new ATOM 0 HE1 PHE A 114 43.139 -21.920 -14.668 1.00 0.00 H new ATOM 0 HE2 PHE A 114 43.774 -22.388 -10.445 1.00 0.00 H new ATOM 0 HZ PHE A 114 44.651 -21.848 -12.703 1.00 0.00 H new ATOM 1788 N SER A 115 39.693 -25.641 -10.211 1.00 0.00 N ATOM 1789 CA SER A 115 40.425 -26.411 -9.210 1.00 0.00 C ATOM 1790 C SER A 115 39.992 -27.869 -9.225 1.00 0.00 C ATOM 1791 O SER A 115 40.672 -28.736 -8.678 1.00 0.00 O ATOM 1792 CB SER A 115 40.184 -25.824 -7.819 1.00 0.00 C ATOM 1793 OG SER A 115 40.623 -24.472 -7.793 1.00 0.00 O ATOM 0 H SER A 115 38.823 -25.229 -9.873 1.00 0.00 H new ATOM 0 HA SER A 115 41.487 -26.358 -9.451 1.00 0.00 H new ATOM 0 HB2 SER A 115 39.125 -25.879 -7.568 1.00 0.00 H new ATOM 0 HB3 SER A 115 40.720 -26.406 -7.069 1.00 0.00 H new ATOM 0 HG SER A 115 40.467 -24.095 -6.902 1.00 0.00 H new ATOM 1799 N THR A 116 38.855 -28.131 -9.858 1.00 0.00 N ATOM 1800 CA THR A 116 38.325 -29.485 -9.946 1.00 0.00 C ATOM 1801 C THR A 116 38.537 -30.245 -8.638 1.00 0.00 C ATOM 1802 O THR A 116 39.340 -31.165 -8.631 1.00 0.00 O ATOM 1803 CB THR A 116 39.010 -30.223 -11.090 1.00 0.00 C ATOM 1804 OG1 THR A 116 38.986 -29.413 -12.258 1.00 0.00 O ATOM 1805 CG2 THR A 116 38.273 -31.530 -11.363 1.00 0.00 C ATOM 1806 OXT THR A 116 37.898 -29.893 -7.660 1.00 0.00 O ATOM 0 H THR A 116 38.282 -27.423 -10.318 1.00 0.00 H new ATOM 0 HA THR A 116 37.253 -29.426 -10.133 1.00 0.00 H new ATOM 0 HB THR A 116 40.043 -30.437 -10.818 1.00 0.00 H new ATOM 0 HG1 THR A 116 38.299 -28.720 -12.162 1.00 0.00 H new ATOM 0 HG21 THR A 116 38.762 -32.059 -12.181 1.00 0.00 H new ATOM 0 HG22 THR A 116 38.290 -32.151 -10.467 1.00 0.00 H new ATOM 0 HG23 THR A 116 37.240 -31.315 -11.636 1.00 0.00 H new