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= -0.216 K(o=-0.22,f=-1.2) USER MOD Single : A 46 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 49 ASN : amide:sc=-0.00344 X(o=-0.0034,f=-0.27) USER MOD Single : A 52 LYS NZ :NH3+ 161:sc= -0.0566 (180deg=-0.56) USER MOD Single : A 79 THR OG1 : rot -38:sc= 0.169 USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 83 LYS NZ :NH3+ -149:sc= -0.158 (180deg=-0.982) USER MOD Single : A 85 LYS NZ :NH3+ -140:sc= -0.0849 (180deg=-0.611) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 96 MET CE :methyl -150:sc= -0.217 (180deg=-1.35!) USER MOD Single : A 103 CYS SG : rot -32:sc= -0.982 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 48.478 -9.803 9.862 1.00 0.00 N ATOM 506 CA GLN A 38 48.576 -8.638 8.991 1.00 0.00 C ATOM 507 C GLN A 38 47.591 -8.751 7.833 1.00 0.00 C ATOM 508 O GLN A 38 47.120 -7.743 7.307 1.00 0.00 O ATOM 509 CB GLN A 38 50.000 -8.508 8.446 1.00 0.00 C ATOM 510 CG GLN A 38 50.155 -7.178 7.702 1.00 0.00 C ATOM 511 CD GLN A 38 50.051 -6.017 8.685 1.00 0.00 C ATOM 512 OE1 GLN A 38 50.501 -6.128 9.825 1.00 0.00 O ATOM 513 NE2 GLN A 38 49.484 -4.904 8.310 1.00 0.00 N ATOM 0 HA GLN A 38 48.331 -7.750 9.575 1.00 0.00 H new ATOM 0 HB2 GLN A 38 50.718 -8.563 9.264 1.00 0.00 H new ATOM 0 HB3 GLN A 38 50.219 -9.338 7.774 1.00 0.00 H new ATOM 0 HG2 GLN A 38 51.117 -7.148 7.191 1.00 0.00 H new ATOM 0 HG3 GLN A 38 49.384 -7.088 6.937 1.00 0.00 H new ATOM 0 HE21 GLN A 38 49.112 -4.815 7.365 1.00 0.00 H new ATOM 0 HE22 GLN A 38 49.413 -4.123 8.962 1.00 0.00 H new ATOM 522 N VAL A 39 47.290 -9.983 7.437 1.00 0.00 N ATOM 523 CA VAL A 39 46.367 -10.217 6.334 1.00 0.00 C ATOM 524 C VAL A 39 44.983 -9.667 6.670 1.00 0.00 C ATOM 525 O VAL A 39 44.337 -9.033 5.835 1.00 0.00 O ATOM 526 CB VAL A 39 46.267 -11.714 6.042 1.00 0.00 C ATOM 527 CG1 VAL A 39 45.230 -11.954 4.944 1.00 0.00 C ATOM 528 CG2 VAL A 39 47.630 -12.236 5.579 1.00 0.00 C ATOM 0 H VAL A 39 47.669 -10.830 7.861 1.00 0.00 H new ATOM 0 HA VAL A 39 46.747 -9.702 5.452 1.00 0.00 H new ATOM 0 HB VAL A 39 45.964 -12.240 6.947 1.00 0.00 H new ATOM 0 HG11 VAL A 39 45.160 -13.022 4.737 1.00 0.00 H new ATOM 0 HG12 VAL A 39 44.259 -11.584 5.273 1.00 0.00 H new ATOM 0 HG13 VAL A 39 45.531 -11.428 4.038 1.00 0.00 H new ATOM 0 HG21 VAL A 39 47.559 -13.304 5.371 1.00 0.00 H new ATOM 0 HG22 VAL A 39 47.933 -11.709 4.674 1.00 0.00 H new ATOM 0 HG23 VAL A 39 48.369 -12.067 6.362 1.00 0.00 H new ATOM 538 N ASP A 40 44.538 -9.918 7.894 1.00 0.00 N ATOM 539 CA ASP A 40 43.229 -9.448 8.333 1.00 0.00 C ATOM 540 C ASP A 40 43.162 -7.925 8.274 1.00 0.00 C ATOM 541 O ASP A 40 42.113 -7.353 7.982 1.00 0.00 O ATOM 542 CB ASP A 40 42.958 -9.914 9.766 1.00 0.00 C ATOM 543 CG ASP A 40 41.509 -9.626 10.142 1.00 0.00 C ATOM 544 OD1 ASP A 40 40.832 -8.977 9.363 1.00 0.00 O ATOM 545 OD2 ASP A 40 41.097 -10.061 11.205 1.00 0.00 O ATOM 0 H ASP A 40 45.060 -10.441 8.597 1.00 0.00 H new ATOM 0 HA ASP A 40 42.473 -9.863 7.667 1.00 0.00 H new ATOM 0 HB2 ASP A 40 43.160 -10.981 9.855 1.00 0.00 H new ATOM 0 HB3 ASP A 40 43.630 -9.404 10.456 1.00 0.00 H new ATOM 550 N GLU A 41 44.284 -7.274 8.558 1.00 0.00 N ATOM 551 CA GLU A 41 44.339 -5.817 8.534 1.00 0.00 C ATOM 552 C GLU A 41 44.120 -5.292 7.116 1.00 0.00 C ATOM 553 O GLU A 41 43.531 -4.227 6.923 1.00 0.00 O ATOM 554 CB GLU A 41 45.698 -5.340 9.049 1.00 0.00 C ATOM 555 CG GLU A 41 45.865 -5.758 10.511 1.00 0.00 C ATOM 556 CD GLU A 41 44.871 -5.005 11.388 1.00 0.00 C ATOM 557 OE1 GLU A 41 44.374 -3.983 10.945 1.00 0.00 O ATOM 558 OE2 GLU A 41 44.619 -5.463 12.492 1.00 0.00 O ATOM 0 H GLU A 41 45.163 -7.728 8.806 1.00 0.00 H new ATOM 0 HA GLU A 41 43.548 -5.432 9.177 1.00 0.00 H new ATOM 0 HB2 GLU A 41 46.498 -5.767 8.444 1.00 0.00 H new ATOM 0 HB3 GLU A 41 45.773 -4.256 8.959 1.00 0.00 H new ATOM 0 HG2 GLU A 41 45.709 -6.832 10.610 1.00 0.00 H new ATOM 0 HG3 GLU A 41 46.883 -5.552 10.842 1.00 0.00 H new ATOM 565 N VAL A 42 44.598 -6.043 6.131 1.00 0.00 N ATOM 566 CA VAL A 42 44.451 -5.640 4.738 1.00 0.00 C ATOM 567 C VAL A 42 42.976 -5.585 4.348 1.00 0.00 C ATOM 568 O VAL A 42 42.625 -5.128 3.261 1.00 0.00 O ATOM 569 CB VAL A 42 45.187 -6.627 3.827 1.00 0.00 C ATOM 570 CG1 VAL A 42 44.963 -6.246 2.358 1.00 0.00 C ATOM 571 CG2 VAL A 42 46.685 -6.585 4.140 1.00 0.00 C ATOM 0 H VAL A 42 45.087 -6.927 6.269 1.00 0.00 H new ATOM 0 HA VAL A 42 44.883 -4.646 4.620 1.00 0.00 H new ATOM 0 HB VAL A 42 44.803 -7.632 4.000 1.00 0.00 H new ATOM 0 HG11 VAL A 42 45.489 -6.952 1.715 1.00 0.00 H new ATOM 0 HG12 VAL A 42 43.897 -6.275 2.133 1.00 0.00 H new ATOM 0 HG13 VAL A 42 45.344 -5.240 2.181 1.00 0.00 H new ATOM 0 HG21 VAL A 42 47.212 -7.287 3.493 1.00 0.00 H new ATOM 0 HG22 VAL A 42 47.065 -5.578 3.968 1.00 0.00 H new ATOM 0 HG23 VAL A 42 46.847 -6.861 5.182 1.00 0.00 H new ATOM 581 N VAL A 43 42.113 -6.051 5.242 1.00 0.00 N ATOM 582 CA VAL A 43 40.680 -6.050 4.971 1.00 0.00 C ATOM 583 C VAL A 43 40.179 -4.632 4.738 1.00 0.00 C ATOM 584 O VAL A 43 39.431 -4.368 3.798 1.00 0.00 O ATOM 585 CB VAL A 43 39.933 -6.666 6.154 1.00 0.00 C ATOM 586 CG1 VAL A 43 40.001 -5.735 7.369 1.00 0.00 C ATOM 587 CG2 VAL A 43 38.469 -6.905 5.770 1.00 0.00 C ATOM 0 H VAL A 43 42.376 -6.431 6.152 1.00 0.00 H new ATOM 0 HA VAL A 43 40.496 -6.639 4.072 1.00 0.00 H new ATOM 0 HB VAL A 43 40.402 -7.616 6.411 1.00 0.00 H new ATOM 0 HG11 VAL A 43 39.465 -6.186 8.204 1.00 0.00 H new ATOM 0 HG12 VAL A 43 41.043 -5.578 7.649 1.00 0.00 H new ATOM 0 HG13 VAL A 43 39.544 -4.777 7.120 1.00 0.00 H new ATOM 0 HG21 VAL A 43 37.938 -7.344 6.615 1.00 0.00 H new ATOM 0 HG22 VAL A 43 38.003 -5.956 5.503 1.00 0.00 H new ATOM 0 HG23 VAL A 43 38.422 -7.585 4.919 1.00 0.00 H new ATOM 597 N ASP A 44 40.597 -3.727 5.608 1.00 0.00 N ATOM 598 CA ASP A 44 40.186 -2.327 5.497 1.00 0.00 C ATOM 599 C ASP A 44 40.709 -1.719 4.198 1.00 0.00 C ATOM 600 O ASP A 44 39.991 -0.994 3.507 1.00 0.00 O ATOM 601 CB ASP A 44 40.714 -1.524 6.690 1.00 0.00 C ATOM 602 CG ASP A 44 39.959 -1.914 7.955 1.00 0.00 C ATOM 603 OD1 ASP A 44 38.916 -2.534 7.831 1.00 0.00 O ATOM 604 OD2 ASP A 44 40.435 -1.589 9.030 1.00 0.00 O ATOM 0 H ASP A 44 41.215 -3.929 6.394 1.00 0.00 H new ATOM 0 HA ASP A 44 39.097 -2.288 5.493 1.00 0.00 H new ATOM 0 HB2 ASP A 44 41.780 -1.710 6.821 1.00 0.00 H new ATOM 0 HB3 ASP A 44 40.597 -0.457 6.501 1.00 0.00 H new ATOM 609 N ILE A 45 41.961 -2.014 3.876 1.00 0.00 N ATOM 610 CA ILE A 45 42.576 -1.494 2.658 1.00 0.00 C ATOM 611 C ILE A 45 41.879 -2.050 1.426 1.00 0.00 C ATOM 612 O ILE A 45 41.612 -1.322 0.473 1.00 0.00 O ATOM 613 CB ILE A 45 44.062 -1.862 2.621 1.00 0.00 C ATOM 614 CG1 ILE A 45 44.730 -1.434 3.935 1.00 0.00 C ATOM 615 CG2 ILE A 45 44.741 -1.149 1.451 1.00 0.00 C ATOM 616 CD1 ILE A 45 44.466 0.053 4.217 1.00 0.00 C ATOM 0 H ILE A 45 42.571 -2.608 4.438 1.00 0.00 H new ATOM 0 HA ILE A 45 42.473 -0.409 2.658 1.00 0.00 H new ATOM 0 HB ILE A 45 44.162 -2.940 2.495 1.00 0.00 H new ATOM 0 HG12 ILE A 45 44.348 -2.039 4.757 1.00 0.00 H new ATOM 0 HG13 ILE A 45 45.804 -1.614 3.879 1.00 0.00 H new ATOM 0 HG21 ILE A 45 45.798 -1.413 1.428 1.00 0.00 H new ATOM 0 HG22 ILE A 45 44.270 -1.454 0.516 1.00 0.00 H new ATOM 0 HG23 ILE A 45 44.639 -0.071 1.573 1.00 0.00 H new ATOM 0 HD11 ILE A 45 44.948 0.337 5.153 1.00 0.00 H new ATOM 0 HD12 ILE A 45 44.870 0.655 3.403 1.00 0.00 H new ATOM 0 HD13 ILE A 45 43.392 0.223 4.295 1.00 0.00 H new ATOM 628 N MET A 46 41.591 -3.344 1.452 1.00 0.00 N ATOM 629 CA MET A 46 40.929 -3.987 0.325 1.00 0.00 C ATOM 630 C MET A 46 39.671 -3.220 -0.062 1.00 0.00 C ATOM 631 O MET A 46 39.410 -2.993 -1.244 1.00 0.00 O ATOM 632 CB MET A 46 40.559 -5.426 0.694 1.00 0.00 C ATOM 633 CG MET A 46 39.918 -6.115 -0.513 1.00 0.00 C ATOM 634 SD MET A 46 39.632 -7.861 -0.133 1.00 0.00 S ATOM 635 CE MET A 46 37.982 -7.672 0.585 1.00 0.00 C ATOM 0 H MET A 46 41.803 -3.965 2.233 1.00 0.00 H new ATOM 0 HA MET A 46 41.613 -3.993 -0.524 1.00 0.00 H new ATOM 0 HB2 MET A 46 41.449 -5.972 1.008 1.00 0.00 H new ATOM 0 HB3 MET A 46 39.869 -5.430 1.537 1.00 0.00 H new ATOM 0 HG2 MET A 46 38.976 -5.628 -0.765 1.00 0.00 H new ATOM 0 HG3 MET A 46 40.567 -6.023 -1.384 1.00 0.00 H new ATOM 0 HE1 MET A 46 37.606 -8.647 0.895 1.00 0.00 H new ATOM 0 HE2 MET A 46 38.035 -7.012 1.451 1.00 0.00 H new ATOM 0 HE3 MET A 46 37.309 -7.243 -0.157 1.00 0.00 H new ATOM 645 N ARG A 47 38.896 -2.816 0.938 1.00 0.00 N ATOM 646 CA ARG A 47 37.669 -2.070 0.686 1.00 0.00 C ATOM 647 C ARG A 47 37.980 -0.754 -0.022 1.00 0.00 C ATOM 648 O ARG A 47 37.286 -0.364 -0.961 1.00 0.00 O ATOM 649 CB ARG A 47 36.949 -1.788 2.007 1.00 0.00 C ATOM 650 CG ARG A 47 35.619 -1.086 1.725 1.00 0.00 C ATOM 651 CD ARG A 47 34.863 -0.874 3.038 1.00 0.00 C ATOM 652 NE ARG A 47 35.580 0.069 3.887 1.00 0.00 N ATOM 653 CZ ARG A 47 35.145 0.359 5.110 1.00 0.00 C ATOM 654 NH1 ARG A 47 34.061 -0.205 5.567 1.00 0.00 N ATOM 655 NH2 ARG A 47 35.805 1.205 5.853 1.00 0.00 N ATOM 0 H ARG A 47 39.093 -2.991 1.923 1.00 0.00 H new ATOM 0 HA ARG A 47 37.024 -2.670 0.044 1.00 0.00 H new ATOM 0 HB2 ARG A 47 36.773 -2.720 2.544 1.00 0.00 H new ATOM 0 HB3 ARG A 47 37.573 -1.164 2.647 1.00 0.00 H new ATOM 0 HG2 ARG A 47 35.798 -0.128 1.238 1.00 0.00 H new ATOM 0 HG3 ARG A 47 35.018 -1.684 1.040 1.00 0.00 H new ATOM 0 HD2 ARG A 47 33.860 -0.499 2.832 1.00 0.00 H new ATOM 0 HD3 ARG A 47 34.747 -1.826 3.557 1.00 0.00 H new ATOM 0 HE ARG A 47 36.429 0.514 3.538 1.00 0.00 H new ATOM 0 HH11 ARG A 47 33.547 -0.868 4.986 1.00 0.00 H new ATOM 0 HH12 ARG A 47 33.727 0.017 6.505 1.00 0.00 H new ATOM 0 HH21 ARG A 47 36.654 1.643 5.496 1.00 0.00 H new ATOM 0 HH22 ARG A 47 35.472 1.428 6.791 1.00 0.00 H new ATOM 669 N VAL A 48 39.024 -0.073 0.435 1.00 0.00 N ATOM 670 CA VAL A 48 39.417 1.195 -0.157 1.00 0.00 C ATOM 671 C VAL A 48 39.906 0.992 -1.588 1.00 0.00 C ATOM 672 O VAL A 48 39.573 1.769 -2.482 1.00 0.00 O ATOM 673 CB VAL A 48 40.520 1.849 0.679 1.00 0.00 C ATOM 674 CG1 VAL A 48 40.975 3.146 0.008 1.00 0.00 C ATOM 675 CG2 VAL A 48 39.986 2.158 2.080 1.00 0.00 C ATOM 0 H VAL A 48 39.611 -0.378 1.211 1.00 0.00 H new ATOM 0 HA VAL A 48 38.545 1.849 -0.175 1.00 0.00 H new ATOM 0 HB VAL A 48 41.366 1.166 0.755 1.00 0.00 H new ATOM 0 HG11 VAL A 48 41.760 3.609 0.606 1.00 0.00 H new ATOM 0 HG12 VAL A 48 41.360 2.925 -0.988 1.00 0.00 H new ATOM 0 HG13 VAL A 48 40.130 3.830 -0.073 1.00 0.00 H new ATOM 0 HG21 VAL A 48 40.772 2.624 2.674 1.00 0.00 H new ATOM 0 HG22 VAL A 48 39.137 2.838 2.004 1.00 0.00 H new ATOM 0 HG23 VAL A 48 39.668 1.233 2.560 1.00 0.00 H new ATOM 685 N ASN A 49 40.701 -0.050 -1.791 1.00 0.00 N ATOM 686 CA ASN A 49 41.237 -0.339 -3.117 1.00 0.00 C ATOM 687 C ASN A 49 40.098 -0.528 -4.112 1.00 0.00 C ATOM 688 O ASN A 49 40.168 -0.051 -5.245 1.00 0.00 O ATOM 689 CB ASN A 49 42.090 -1.610 -3.067 1.00 0.00 C ATOM 690 CG ASN A 49 42.634 -1.928 -4.456 1.00 0.00 C ATOM 691 OD1 ASN A 49 41.990 -2.636 -5.228 1.00 0.00 O ATOM 692 ND2 ASN A 49 43.790 -1.443 -4.819 1.00 0.00 N ATOM 0 H ASN A 49 40.988 -0.704 -1.063 1.00 0.00 H new ATOM 0 HA ASN A 49 41.856 0.499 -3.437 1.00 0.00 H new ATOM 0 HB2 ASN A 49 42.914 -1.477 -2.366 1.00 0.00 H new ATOM 0 HB3 ASN A 49 41.492 -2.445 -2.702 1.00 0.00 H new ATOM 0 HD21 ASN A 49 44.162 -1.651 -5.746 1.00 0.00 H new ATOM 0 HD22 ASN A 49 44.321 -0.856 -4.176 1.00 0.00 H new ATOM 699 N VAL A 50 39.050 -1.219 -3.682 1.00 0.00 N ATOM 700 CA VAL A 50 37.897 -1.457 -4.545 1.00 0.00 C ATOM 701 C VAL A 50 37.209 -0.147 -4.898 1.00 0.00 C ATOM 702 O VAL A 50 36.830 0.081 -6.044 1.00 0.00 O ATOM 703 CB VAL A 50 36.906 -2.400 -3.853 1.00 0.00 C ATOM 704 CG1 VAL A 50 35.625 -2.503 -4.688 1.00 0.00 C ATOM 705 CG2 VAL A 50 37.537 -3.791 -3.712 1.00 0.00 C ATOM 0 H VAL A 50 38.973 -1.622 -2.748 1.00 0.00 H new ATOM 0 HA VAL A 50 38.248 -1.922 -5.466 1.00 0.00 H new ATOM 0 HB VAL A 50 36.664 -2.008 -2.865 1.00 0.00 H new ATOM 0 HG11 VAL A 50 34.922 -3.174 -4.194 1.00 0.00 H new ATOM 0 HG12 VAL A 50 35.175 -1.515 -4.788 1.00 0.00 H new ATOM 0 HG13 VAL A 50 35.866 -2.893 -5.677 1.00 0.00 H new ATOM 0 HG21 VAL A 50 36.833 -4.462 -3.220 1.00 0.00 H new ATOM 0 HG22 VAL A 50 37.781 -4.182 -4.700 1.00 0.00 H new ATOM 0 HG23 VAL A 50 38.447 -3.719 -3.116 1.00 0.00 H new ATOM 715 N ASP A 51 37.053 0.703 -3.903 1.00 0.00 N ATOM 716 CA ASP A 51 36.404 1.995 -4.106 1.00 0.00 C ATOM 717 C ASP A 51 37.210 2.859 -5.072 1.00 0.00 C ATOM 718 O ASP A 51 36.646 3.638 -5.841 1.00 0.00 O ATOM 719 CB ASP A 51 36.251 2.727 -2.770 1.00 0.00 C ATOM 720 CG ASP A 51 35.622 4.100 -2.995 1.00 0.00 C ATOM 721 OD1 ASP A 51 34.513 4.146 -3.505 1.00 0.00 O ATOM 722 OD2 ASP A 51 36.256 5.085 -2.655 1.00 0.00 O ATOM 0 H ASP A 51 37.363 0.529 -2.947 1.00 0.00 H new ATOM 0 HA ASP A 51 35.418 1.815 -4.534 1.00 0.00 H new ATOM 0 HB2 ASP A 51 35.630 2.140 -2.093 1.00 0.00 H new ATOM 0 HB3 ASP A 51 37.225 2.838 -2.293 1.00 0.00 H new ATOM 727 N LYS A 52 38.529 2.715 -5.024 1.00 0.00 N ATOM 728 CA LYS A 52 39.407 3.485 -5.892 1.00 0.00 C ATOM 729 C LYS A 52 39.178 3.104 -7.347 1.00 0.00 C ATOM 730 O LYS A 52 39.292 3.941 -8.244 1.00 0.00 O ATOM 731 CB LYS A 52 40.868 3.236 -5.512 1.00 0.00 C ATOM 732 CG LYS A 52 41.773 4.155 -6.336 1.00 0.00 C ATOM 733 CD LYS A 52 43.230 3.942 -5.920 1.00 0.00 C ATOM 734 CE LYS A 52 44.133 4.871 -6.734 1.00 0.00 C ATOM 735 NZ LYS A 52 43.813 6.290 -6.406 1.00 0.00 N ATOM 0 H LYS A 52 39.012 2.074 -4.395 1.00 0.00 H new ATOM 0 HA LYS A 52 39.181 4.544 -5.767 1.00 0.00 H new ATOM 0 HB2 LYS A 52 41.015 3.422 -4.448 1.00 0.00 H new ATOM 0 HB3 LYS A 52 41.129 2.193 -5.693 1.00 0.00 H new ATOM 0 HG2 LYS A 52 41.652 3.944 -7.399 1.00 0.00 H new ATOM 0 HG3 LYS A 52 41.488 5.196 -6.183 1.00 0.00 H new ATOM 0 HD2 LYS A 52 43.349 4.143 -4.855 1.00 0.00 H new ATOM 0 HD3 LYS A 52 43.518 2.903 -6.082 1.00 0.00 H new ATOM 0 HE2 LYS A 52 45.180 4.663 -6.513 1.00 0.00 H new ATOM 0 HE3 LYS A 52 43.990 4.692 -7.800 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 44.606 6.899 -6.691 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 42.954 6.579 -6.916 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 43.656 6.383 -5.382 1.00 0.00 H new ATOM 1144 N THR A 79 26.365 8.332 -28.747 1.00 0.00 N ATOM 1145 CA THR A 79 25.812 7.199 -28.015 1.00 0.00 C ATOM 1146 C THR A 79 25.738 7.507 -26.523 1.00 0.00 C ATOM 1147 O THR A 79 24.932 6.922 -25.798 1.00 0.00 O ATOM 1148 CB THR A 79 26.675 5.956 -28.241 1.00 0.00 C ATOM 1149 OG1 THR A 79 28.020 6.246 -27.889 1.00 0.00 O ATOM 1150 CG2 THR A 79 26.606 5.545 -29.713 1.00 0.00 C ATOM 0 HA THR A 79 24.804 7.011 -28.385 1.00 0.00 H new ATOM 0 HB THR A 79 26.306 5.139 -27.622 1.00 0.00 H new ATOM 0 HG1 THR A 79 28.242 7.159 -28.169 1.00 0.00 H new ATOM 0 HG21 THR A 79 27.221 4.659 -29.873 1.00 0.00 H new ATOM 0 HG22 THR A 79 25.573 5.322 -29.981 1.00 0.00 H new ATOM 0 HG23 THR A 79 26.975 6.360 -30.336 1.00 0.00 H new ATOM 1158 N SER A 80 26.583 8.426 -26.070 1.00 0.00 N ATOM 1159 CA SER A 80 26.609 8.801 -24.660 1.00 0.00 C ATOM 1160 C SER A 80 25.239 9.309 -24.218 1.00 0.00 C ATOM 1161 O SER A 80 24.846 9.136 -23.064 1.00 0.00 O ATOM 1162 CB SER A 80 27.656 9.890 -24.427 1.00 0.00 C ATOM 1163 OG SER A 80 27.253 11.079 -25.096 1.00 0.00 O ATOM 0 H SER A 80 27.256 8.923 -26.654 1.00 0.00 H new ATOM 0 HA SER A 80 26.867 7.919 -24.073 1.00 0.00 H new ATOM 0 HB2 SER A 80 27.769 10.080 -23.360 1.00 0.00 H new ATOM 0 HB3 SER A 80 28.627 9.562 -24.797 1.00 0.00 H new ATOM 0 HG SER A 80 27.921 11.780 -24.948 1.00 0.00 H new ATOM 1169 N ALA A 81 24.519 9.932 -25.142 1.00 0.00 N ATOM 1170 CA ALA A 81 23.194 10.462 -24.839 1.00 0.00 C ATOM 1171 C ALA A 81 22.259 9.341 -24.395 1.00 0.00 C ATOM 1172 O ALA A 81 21.385 9.546 -23.553 1.00 0.00 O ATOM 1173 CB ALA A 81 22.612 11.157 -26.070 1.00 0.00 C ATOM 0 H ALA A 81 24.827 10.083 -26.103 1.00 0.00 H new ATOM 0 HA ALA A 81 23.290 11.184 -24.028 1.00 0.00 H new ATOM 0 HB1 ALA A 81 21.623 11.549 -25.833 1.00 0.00 H new ATOM 0 HB2 ALA A 81 23.265 11.977 -26.368 1.00 0.00 H new ATOM 0 HB3 ALA A 81 22.532 10.441 -26.888 1.00 0.00 H new ATOM 1179 N ALA A 82 22.446 8.156 -24.969 1.00 0.00 N ATOM 1180 CA ALA A 82 21.609 7.013 -24.624 1.00 0.00 C ATOM 1181 C ALA A 82 21.710 6.702 -23.133 1.00 0.00 C ATOM 1182 O ALA A 82 20.701 6.465 -22.467 1.00 0.00 O ATOM 1183 CB ALA A 82 22.041 5.787 -25.435 1.00 0.00 C ATOM 0 H ALA A 82 23.163 7.964 -25.669 1.00 0.00 H new ATOM 0 HA ALA A 82 20.574 7.260 -24.861 1.00 0.00 H new ATOM 0 HB1 ALA A 82 21.412 4.937 -25.172 1.00 0.00 H new ATOM 0 HB2 ALA A 82 21.938 6.000 -26.499 1.00 0.00 H new ATOM 0 HB3 ALA A 82 23.081 5.551 -25.211 1.00 0.00 H new ATOM 1189 N LYS A 83 22.933 6.707 -22.615 1.00 0.00 N ATOM 1190 CA LYS A 83 23.153 6.425 -21.206 1.00 0.00 C ATOM 1191 C LYS A 83 22.491 7.489 -20.341 1.00 0.00 C ATOM 1192 O LYS A 83 21.929 7.187 -19.288 1.00 0.00 O ATOM 1193 CB LYS A 83 24.650 6.383 -20.914 1.00 0.00 C ATOM 1194 CG LYS A 83 24.877 5.963 -19.457 1.00 0.00 C ATOM 1195 CD LYS A 83 26.389 5.839 -19.179 1.00 0.00 C ATOM 1196 CE LYS A 83 26.868 4.424 -19.518 1.00 0.00 C ATOM 1197 NZ LYS A 83 26.218 3.454 -18.594 1.00 0.00 N ATOM 0 H LYS A 83 23.781 6.902 -23.148 1.00 0.00 H new ATOM 0 HA LYS A 83 22.711 5.457 -20.971 1.00 0.00 H new ATOM 0 HB2 LYS A 83 25.143 5.681 -21.587 1.00 0.00 H new ATOM 0 HB3 LYS A 83 25.094 7.362 -21.094 1.00 0.00 H new ATOM 0 HG2 LYS A 83 24.433 6.697 -18.784 1.00 0.00 H new ATOM 0 HG3 LYS A 83 24.383 5.011 -19.262 1.00 0.00 H new ATOM 0 HD2 LYS A 83 26.938 6.570 -19.773 1.00 0.00 H new ATOM 0 HD3 LYS A 83 26.594 6.060 -18.132 1.00 0.00 H new ATOM 0 HE2 LYS A 83 26.622 4.181 -20.552 1.00 0.00 H new ATOM 0 HE3 LYS A 83 27.952 4.362 -19.426 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 26.855 2.648 -18.432 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 26.013 3.921 -17.688 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 25.330 3.114 -19.016 1.00 0.00 H new ATOM 1211 N LEU A 84 22.565 8.735 -20.791 1.00 0.00 N ATOM 1212 CA LEU A 84 21.972 9.835 -20.046 1.00 0.00 C ATOM 1213 C LEU A 84 20.461 9.656 -19.942 1.00 0.00 C ATOM 1214 O LEU A 84 19.869 9.887 -18.888 1.00 0.00 O ATOM 1215 CB LEU A 84 22.286 11.170 -20.735 1.00 0.00 C ATOM 1216 CG LEU A 84 21.579 12.323 -20.003 1.00 0.00 C ATOM 1217 CD1 LEU A 84 21.996 12.339 -18.523 1.00 0.00 C ATOM 1218 CD2 LEU A 84 21.960 13.651 -20.661 1.00 0.00 C ATOM 0 H LEU A 84 23.025 9.006 -21.660 1.00 0.00 H new ATOM 0 HA LEU A 84 22.398 9.839 -19.042 1.00 0.00 H new ATOM 0 HB2 LEU A 84 23.363 11.340 -20.742 1.00 0.00 H new ATOM 0 HB3 LEU A 84 21.962 11.136 -21.775 1.00 0.00 H new ATOM 0 HG LEU A 84 20.500 12.182 -20.065 1.00 0.00 H new ATOM 0 HD11 LEU A 84 21.491 13.158 -18.012 1.00 0.00 H new ATOM 0 HD12 LEU A 84 21.718 11.394 -18.056 1.00 0.00 H new ATOM 0 HD13 LEU A 84 23.075 12.476 -18.450 1.00 0.00 H new ATOM 0 HD21 LEU A 84 21.460 14.470 -20.144 1.00 0.00 H new ATOM 0 HD22 LEU A 84 23.040 13.790 -20.602 1.00 0.00 H new ATOM 0 HD23 LEU A 84 21.652 13.640 -21.707 1.00 0.00 H new ATOM 1230 N LYS A 85 19.846 9.249 -21.045 1.00 0.00 N ATOM 1231 CA LYS A 85 18.402 9.049 -21.072 1.00 0.00 C ATOM 1232 C LYS A 85 17.995 7.977 -20.069 1.00 0.00 C ATOM 1233 O LYS A 85 16.964 8.093 -19.405 1.00 0.00 O ATOM 1234 CB LYS A 85 17.958 8.637 -22.477 1.00 0.00 C ATOM 1235 CG LYS A 85 16.432 8.542 -22.522 1.00 0.00 C ATOM 1236 CD LYS A 85 15.981 8.208 -23.946 1.00 0.00 C ATOM 1237 CE LYS A 85 14.455 8.133 -23.994 1.00 0.00 C ATOM 1238 NZ LYS A 85 13.982 7.076 -23.057 1.00 0.00 N ATOM 0 H LYS A 85 20.320 9.052 -21.927 1.00 0.00 H new ATOM 0 HA LYS A 85 17.916 9.986 -20.801 1.00 0.00 H new ATOM 0 HB2 LYS A 85 18.310 9.364 -23.209 1.00 0.00 H new ATOM 0 HB3 LYS A 85 18.401 7.677 -22.743 1.00 0.00 H new ATOM 0 HG2 LYS A 85 16.085 7.775 -21.830 1.00 0.00 H new ATOM 0 HG3 LYS A 85 15.989 9.485 -22.201 1.00 0.00 H new ATOM 0 HD2 LYS A 85 16.340 8.968 -24.640 1.00 0.00 H new ATOM 0 HD3 LYS A 85 16.412 7.258 -24.262 1.00 0.00 H new ATOM 0 HE2 LYS A 85 14.024 9.096 -23.721 1.00 0.00 H new ATOM 0 HE3 LYS A 85 14.122 7.911 -25.008 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 13.196 6.552 -23.493 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 14.763 6.421 -22.850 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 13.656 7.516 -22.173 1.00 0.00 H new ATOM 1252 N ARG A 86 18.809 6.935 -19.967 1.00 0.00 N ATOM 1253 CA ARG A 86 18.526 5.842 -19.043 1.00 0.00 C ATOM 1254 C ARG A 86 18.526 6.342 -17.602 1.00 0.00 C ATOM 1255 O ARG A 86 17.750 5.874 -16.770 1.00 0.00 O ATOM 1256 CB ARG A 86 19.567 4.733 -19.205 1.00 0.00 C ATOM 1257 CG ARG A 86 19.367 4.038 -20.554 1.00 0.00 C ATOM 1258 CD ARG A 86 20.474 3.002 -20.762 1.00 0.00 C ATOM 1259 NE ARG A 86 20.381 1.953 -19.752 1.00 0.00 N ATOM 1260 CZ ARG A 86 21.307 1.006 -19.660 1.00 0.00 C ATOM 1261 NH1 ARG A 86 22.322 1.002 -20.481 1.00 0.00 N ATOM 1262 NH2 ARG A 86 21.203 0.077 -18.748 1.00 0.00 N ATOM 0 H ARG A 86 19.666 6.822 -20.509 1.00 0.00 H new ATOM 0 HA ARG A 86 17.538 5.444 -19.275 1.00 0.00 H new ATOM 0 HB2 ARG A 86 20.572 5.151 -19.145 1.00 0.00 H new ATOM 0 HB3 ARG A 86 19.473 4.010 -18.394 1.00 0.00 H new ATOM 0 HG2 ARG A 86 18.391 3.554 -20.585 1.00 0.00 H new ATOM 0 HG3 ARG A 86 19.385 4.772 -21.360 1.00 0.00 H new ATOM 0 HD2 ARG A 86 20.391 2.566 -21.758 1.00 0.00 H new ATOM 0 HD3 ARG A 86 21.449 3.485 -20.706 1.00 0.00 H new ATOM 0 HE ARG A 86 19.592 1.947 -19.106 1.00 0.00 H new ATOM 0 HH11 ARG A 86 22.404 1.727 -21.194 1.00 0.00 H new ATOM 0 HH12 ARG A 86 23.033 0.274 -20.410 1.00 0.00 H new ATOM 0 HH21 ARG A 86 20.410 0.079 -18.106 1.00 0.00 H new ATOM 0 HH22 ARG A 86 21.915 -0.650 -18.678 1.00 0.00 H new ATOM 1403 N LEU A 93 20.010 1.318 -11.327 1.00 0.00 N ATOM 1404 CA LEU A 93 20.960 0.919 -10.303 1.00 0.00 C ATOM 1405 C LEU A 93 20.678 -0.510 -9.838 1.00 0.00 C ATOM 1406 O LEU A 93 21.590 -1.320 -9.677 1.00 0.00 O ATOM 1407 CB LEU A 93 20.877 1.890 -9.107 1.00 0.00 C ATOM 1408 CG LEU A 93 22.256 2.025 -8.436 1.00 0.00 C ATOM 1409 CD1 LEU A 93 22.787 0.632 -8.054 1.00 0.00 C ATOM 1410 CD2 LEU A 93 23.248 2.727 -9.407 1.00 0.00 C ATOM 0 HA LEU A 93 21.965 0.953 -10.725 1.00 0.00 H new ATOM 0 HB2 LEU A 93 20.532 2.867 -9.445 1.00 0.00 H new ATOM 0 HB3 LEU A 93 20.147 1.527 -8.384 1.00 0.00 H new ATOM 0 HG LEU A 93 22.159 2.627 -7.533 1.00 0.00 H new ATOM 0 HD11 LEU A 93 23.763 0.732 -7.579 1.00 0.00 H new ATOM 0 HD12 LEU A 93 22.094 0.156 -7.361 1.00 0.00 H new ATOM 0 HD13 LEU A 93 22.881 0.020 -8.951 1.00 0.00 H new ATOM 0 HD21 LEU A 93 24.222 2.820 -8.927 1.00 0.00 H new ATOM 0 HD22 LEU A 93 23.347 2.135 -10.317 1.00 0.00 H new ATOM 0 HD23 LEU A 93 22.871 3.718 -9.658 1.00 0.00 H new ATOM 1422 N LYS A 94 19.408 -0.804 -9.621 1.00 0.00 N ATOM 1423 CA LYS A 94 19.011 -2.127 -9.167 1.00 0.00 C ATOM 1424 C LYS A 94 19.336 -3.172 -10.224 1.00 0.00 C ATOM 1425 O LYS A 94 19.678 -4.310 -9.904 1.00 0.00 O ATOM 1426 CB LYS A 94 17.518 -2.151 -8.854 1.00 0.00 C ATOM 1427 CG LYS A 94 17.239 -1.270 -7.632 1.00 0.00 C ATOM 1428 CD LYS A 94 15.769 -1.411 -7.225 1.00 0.00 C ATOM 1429 CE LYS A 94 14.863 -0.803 -8.303 1.00 0.00 C ATOM 1430 NZ LYS A 94 13.519 -0.531 -7.726 1.00 0.00 N ATOM 0 H LYS A 94 18.637 -0.149 -9.751 1.00 0.00 H new ATOM 0 HA LYS A 94 19.568 -2.362 -8.260 1.00 0.00 H new ATOM 0 HB2 LYS A 94 16.950 -1.792 -9.712 1.00 0.00 H new ATOM 0 HB3 LYS A 94 17.192 -3.173 -8.661 1.00 0.00 H new ATOM 0 HG2 LYS A 94 17.886 -1.562 -6.805 1.00 0.00 H new ATOM 0 HG3 LYS A 94 17.465 -0.229 -7.862 1.00 0.00 H new ATOM 0 HD2 LYS A 94 15.522 -2.463 -7.083 1.00 0.00 H new ATOM 0 HD3 LYS A 94 15.598 -0.912 -6.271 1.00 0.00 H new ATOM 0 HE2 LYS A 94 15.301 0.120 -8.683 1.00 0.00 H new ATOM 0 HE3 LYS A 94 14.776 -1.486 -9.148 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 12.904 -0.119 -8.457 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 13.102 -1.420 -7.384 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 13.610 0.136 -6.933 1.00 0.00 H new ATOM 1444 N MET A 95 19.225 -2.776 -11.485 1.00 0.00 N ATOM 1445 CA MET A 95 19.504 -3.683 -12.591 1.00 0.00 C ATOM 1446 C MET A 95 20.963 -4.134 -12.552 1.00 0.00 C ATOM 1447 O MET A 95 21.287 -5.262 -12.917 1.00 0.00 O ATOM 1448 CB MET A 95 19.215 -2.990 -13.926 1.00 0.00 C ATOM 1449 CG MET A 95 17.703 -2.918 -14.152 1.00 0.00 C ATOM 1450 SD MET A 95 17.369 -2.167 -15.764 1.00 0.00 S ATOM 1451 CE MET A 95 15.585 -1.951 -15.544 1.00 0.00 C ATOM 0 H MET A 95 18.945 -1.837 -11.767 1.00 0.00 H new ATOM 0 HA MET A 95 18.860 -4.557 -12.493 1.00 0.00 H new ATOM 0 HB2 MET A 95 19.641 -1.987 -13.926 1.00 0.00 H new ATOM 0 HB3 MET A 95 19.689 -3.537 -14.741 1.00 0.00 H new ATOM 0 HG2 MET A 95 17.270 -3.917 -14.108 1.00 0.00 H new ATOM 0 HG3 MET A 95 17.234 -2.332 -13.362 1.00 0.00 H new ATOM 0 HE1 MET A 95 15.161 -1.493 -16.438 1.00 0.00 H new ATOM 0 HE2 MET A 95 15.119 -2.922 -15.378 1.00 0.00 H new ATOM 0 HE3 MET A 95 15.400 -1.308 -14.684 1.00 0.00 H new ATOM 1461 N MET A 96 21.841 -3.242 -12.127 1.00 0.00 N ATOM 1462 CA MET A 96 23.259 -3.565 -12.048 1.00 0.00 C ATOM 1463 C MET A 96 23.546 -4.463 -10.846 1.00 0.00 C ATOM 1464 O MET A 96 24.382 -5.364 -10.917 1.00 0.00 O ATOM 1465 CB MET A 96 24.076 -2.279 -11.933 1.00 0.00 C ATOM 1466 CG MET A 96 23.922 -1.456 -13.214 1.00 0.00 C ATOM 1467 SD MET A 96 24.680 -2.336 -14.604 1.00 0.00 S ATOM 1468 CE MET A 96 26.401 -2.225 -14.050 1.00 0.00 C ATOM 0 H MET A 96 21.602 -2.295 -11.833 1.00 0.00 H new ATOM 0 HA MET A 96 23.541 -4.099 -12.955 1.00 0.00 H new ATOM 0 HB2 MET A 96 23.740 -1.699 -11.074 1.00 0.00 H new ATOM 0 HB3 MET A 96 25.126 -2.517 -11.766 1.00 0.00 H new ATOM 0 HG2 MET A 96 22.866 -1.277 -13.417 1.00 0.00 H new ATOM 0 HG3 MET A 96 24.392 -0.481 -13.089 1.00 0.00 H new ATOM 0 HE1 MET A 96 27.061 -2.202 -14.917 1.00 0.00 H new ATOM 0 HE2 MET A 96 26.537 -1.315 -13.466 1.00 0.00 H new ATOM 0 HE3 MET A 96 26.641 -3.091 -13.434 1.00 0.00 H new ATOM 1478 N ILE A 97 22.861 -4.197 -9.737 1.00 0.00 N ATOM 1479 CA ILE A 97 23.065 -4.979 -8.522 1.00 0.00 C ATOM 1480 C ILE A 97 22.607 -6.423 -8.712 1.00 0.00 C ATOM 1481 O ILE A 97 23.314 -7.361 -8.342 1.00 0.00 O ATOM 1482 CB ILE A 97 22.286 -4.346 -7.363 1.00 0.00 C ATOM 1483 CG1 ILE A 97 22.891 -2.980 -7.030 1.00 0.00 C ATOM 1484 CG2 ILE A 97 22.371 -5.251 -6.130 1.00 0.00 C ATOM 1485 CD1 ILE A 97 21.973 -2.235 -6.055 1.00 0.00 C ATOM 0 H ILE A 97 22.167 -3.454 -9.655 1.00 0.00 H new ATOM 0 HA ILE A 97 24.131 -4.982 -8.296 1.00 0.00 H new ATOM 0 HB ILE A 97 21.242 -4.225 -7.653 1.00 0.00 H new ATOM 0 HG12 ILE A 97 23.880 -3.107 -6.589 1.00 0.00 H new ATOM 0 HG13 ILE A 97 23.020 -2.396 -7.941 1.00 0.00 H new ATOM 0 HG21 ILE A 97 21.817 -4.799 -5.308 1.00 0.00 H new ATOM 0 HG22 ILE A 97 21.943 -6.226 -6.364 1.00 0.00 H new ATOM 0 HG23 ILE A 97 23.415 -5.374 -5.840 1.00 0.00 H new ATOM 0 HD11 ILE A 97 22.405 -1.263 -5.819 1.00 0.00 H new ATOM 0 HD12 ILE A 97 20.993 -2.095 -6.512 1.00 0.00 H new ATOM 0 HD13 ILE A 97 21.866 -2.816 -5.139 1.00 0.00 H new ATOM 1497 N ILE A 98 21.424 -6.593 -9.289 1.00 0.00 N ATOM 1498 CA ILE A 98 20.878 -7.925 -9.516 1.00 0.00 C ATOM 1499 C ILE A 98 21.732 -8.691 -10.516 1.00 0.00 C ATOM 1500 O ILE A 98 21.951 -9.893 -10.371 1.00 0.00 O ATOM 1501 CB ILE A 98 19.439 -7.823 -10.026 1.00 0.00 C ATOM 1502 CG1 ILE A 98 18.833 -9.222 -10.130 1.00 0.00 C ATOM 1503 CG2 ILE A 98 19.426 -7.156 -11.396 1.00 0.00 C ATOM 1504 CD1 ILE A 98 17.323 -9.109 -10.344 1.00 0.00 C ATOM 0 H ILE A 98 20.827 -5.830 -9.607 1.00 0.00 H new ATOM 0 HA ILE A 98 20.883 -8.466 -8.570 1.00 0.00 H new ATOM 0 HB ILE A 98 18.851 -7.225 -9.330 1.00 0.00 H new ATOM 0 HG12 ILE A 98 19.288 -9.767 -10.957 1.00 0.00 H new ATOM 0 HG13 ILE A 98 19.041 -9.788 -9.222 1.00 0.00 H new ATOM 0 HG21 ILE A 98 18.400 -7.085 -11.756 1.00 0.00 H new ATOM 0 HG22 ILE A 98 19.853 -6.156 -11.318 1.00 0.00 H new ATOM 0 HG23 ILE A 98 20.016 -7.749 -12.095 1.00 0.00 H new ATOM 0 HD11 ILE A 98 16.890 -10.107 -10.418 1.00 0.00 H new ATOM 0 HD12 ILE A 98 16.875 -8.581 -9.502 1.00 0.00 H new ATOM 0 HD13 ILE A 98 17.126 -8.559 -11.264 1.00 0.00 H new ATOM 1516 N LEU A 99 22.213 -7.986 -11.530 1.00 0.00 N ATOM 1517 CA LEU A 99 23.046 -8.605 -12.551 1.00 0.00 C ATOM 1518 C LEU A 99 24.336 -9.137 -11.944 1.00 0.00 C ATOM 1519 O LEU A 99 24.810 -10.210 -12.314 1.00 0.00 O ATOM 1520 CB LEU A 99 23.369 -7.583 -13.648 1.00 0.00 C ATOM 1521 CG LEU A 99 22.172 -7.447 -14.604 1.00 0.00 C ATOM 1522 CD1 LEU A 99 22.367 -6.214 -15.494 1.00 0.00 C ATOM 1523 CD2 LEU A 99 22.039 -8.714 -15.488 1.00 0.00 C ATOM 0 H LEU A 99 22.042 -6.990 -11.668 1.00 0.00 H new ATOM 0 HA LEU A 99 22.498 -9.441 -12.985 1.00 0.00 H new ATOM 0 HB2 LEU A 99 23.600 -6.616 -13.200 1.00 0.00 H new ATOM 0 HB3 LEU A 99 24.254 -7.898 -14.201 1.00 0.00 H new ATOM 0 HG LEU A 99 21.261 -7.334 -14.016 1.00 0.00 H new ATOM 0 HD11 LEU A 99 21.519 -6.117 -16.172 1.00 0.00 H new ATOM 0 HD12 LEU A 99 22.437 -5.323 -14.871 1.00 0.00 H new ATOM 0 HD13 LEU A 99 23.284 -6.325 -16.073 1.00 0.00 H new ATOM 0 HD21 LEU A 99 21.187 -8.602 -16.159 1.00 0.00 H new ATOM 0 HD22 LEU A 99 22.948 -8.845 -16.075 1.00 0.00 H new ATOM 0 HD23 LEU A 99 21.888 -9.587 -14.853 1.00 0.00 H new ATOM 1535 N GLY A 100 24.901 -8.376 -11.019 1.00 0.00 N ATOM 1536 CA GLY A 100 26.143 -8.776 -10.375 1.00 0.00 C ATOM 1537 C GLY A 100 25.969 -10.094 -9.628 1.00 0.00 C ATOM 1538 O GLY A 100 26.897 -10.899 -9.549 1.00 0.00 O ATOM 0 H GLY A 100 24.523 -7.484 -10.699 1.00 0.00 H new ATOM 0 HA2 GLY A 100 26.929 -8.879 -11.123 1.00 0.00 H new ATOM 0 HA3 GLY A 100 26.464 -7.999 -9.681 1.00 0.00 H new ATOM 1542 N VAL A 101 24.779 -10.305 -9.083 1.00 0.00 N ATOM 1543 CA VAL A 101 24.496 -11.530 -8.344 1.00 0.00 C ATOM 1544 C VAL A 101 24.597 -12.745 -9.263 1.00 0.00 C ATOM 1545 O VAL A 101 25.158 -13.774 -8.888 1.00 0.00 O ATOM 1546 CB VAL A 101 23.096 -11.461 -7.730 1.00 0.00 C ATOM 1547 CG1 VAL A 101 22.765 -12.791 -7.050 1.00 0.00 C ATOM 1548 CG2 VAL A 101 23.052 -10.337 -6.693 1.00 0.00 C ATOM 0 H VAL A 101 23.999 -9.650 -9.137 1.00 0.00 H new ATOM 0 HA VAL A 101 25.233 -11.631 -7.547 1.00 0.00 H new ATOM 0 HB VAL A 101 22.366 -11.265 -8.516 1.00 0.00 H new ATOM 0 HG11 VAL A 101 21.767 -12.738 -6.614 1.00 0.00 H new ATOM 0 HG12 VAL A 101 22.797 -13.594 -7.786 1.00 0.00 H new ATOM 0 HG13 VAL A 101 23.494 -12.990 -6.265 1.00 0.00 H new ATOM 0 HG21 VAL A 101 22.056 -10.286 -6.254 1.00 0.00 H new ATOM 0 HG22 VAL A 101 23.784 -10.536 -5.910 1.00 0.00 H new ATOM 0 HG23 VAL A 101 23.285 -9.388 -7.175 1.00 0.00 H new ATOM 1558 N ILE A 102 24.035 -12.623 -10.461 1.00 0.00 N ATOM 1559 CA ILE A 102 24.051 -13.724 -11.419 1.00 0.00 C ATOM 1560 C ILE A 102 25.477 -14.071 -11.804 1.00 0.00 C ATOM 1561 O ILE A 102 25.856 -15.234 -11.862 1.00 0.00 O ATOM 1562 CB ILE A 102 23.260 -13.330 -12.672 1.00 0.00 C ATOM 1563 CG1 ILE A 102 21.912 -12.721 -12.263 1.00 0.00 C ATOM 1564 CG2 ILE A 102 23.006 -14.577 -13.523 1.00 0.00 C ATOM 1565 CD1 ILE A 102 21.226 -13.613 -11.231 1.00 0.00 C ATOM 0 H ILE A 102 23.566 -11.779 -10.791 1.00 0.00 H new ATOM 0 HA ILE A 102 23.590 -14.597 -10.957 1.00 0.00 H new ATOM 0 HB ILE A 102 23.832 -12.599 -13.244 1.00 0.00 H new ATOM 0 HG12 ILE A 102 22.065 -11.724 -11.850 1.00 0.00 H new ATOM 0 HG13 ILE A 102 21.274 -12.608 -13.139 1.00 0.00 H new ATOM 0 HG21 ILE A 102 22.444 -14.300 -14.415 1.00 0.00 H new ATOM 0 HG22 ILE A 102 23.959 -15.017 -13.817 1.00 0.00 H new ATOM 0 HG23 ILE A 102 22.434 -15.302 -12.944 1.00 0.00 H new ATOM 0 HD11 ILE A 102 20.270 -13.172 -10.947 1.00 0.00 H new ATOM 0 HD12 ILE A 102 21.057 -14.601 -11.659 1.00 0.00 H new ATOM 0 HD13 ILE A 102 21.860 -13.703 -10.349 1.00 0.00 H new ATOM 1577 N CYS A 103 26.258 -13.049 -12.061 1.00 0.00 N ATOM 1578 CA CYS A 103 27.662 -13.241 -12.439 1.00 0.00 C ATOM 1579 C CYS A 103 28.483 -13.732 -11.248 1.00 0.00 C ATOM 1580 O CYS A 103 29.451 -14.477 -11.405 1.00 0.00 O ATOM 1581 CB CYS A 103 28.258 -11.938 -12.972 1.00 0.00 C ATOM 1582 SG CYS A 103 28.678 -10.840 -11.597 1.00 0.00 S ATOM 0 H CYS A 103 25.959 -12.075 -12.019 1.00 0.00 H new ATOM 0 HA CYS A 103 27.696 -13.996 -13.225 1.00 0.00 H new ATOM 0 HB2 CYS A 103 29.149 -12.151 -13.563 1.00 0.00 H new ATOM 0 HB3 CYS A 103 27.546 -11.447 -13.635 1.00 0.00 H new ATOM 0 HG CYS A 103 27.842 -11.030 -10.619 1.00 0.00 H new ATOM 1588 N ALA A 104 28.095 -13.289 -10.059 1.00 0.00 N ATOM 1589 CA ALA A 104 28.802 -13.670 -8.844 1.00 0.00 C ATOM 1590 C ALA A 104 28.828 -15.186 -8.679 1.00 0.00 C ATOM 1591 O ALA A 104 29.888 -15.773 -8.472 1.00 0.00 O ATOM 1592 CB ALA A 104 28.127 -13.043 -7.623 1.00 0.00 C ATOM 0 H ALA A 104 27.299 -12.669 -9.911 1.00 0.00 H new ATOM 0 HA ALA A 104 29.826 -13.307 -8.925 1.00 0.00 H new ATOM 0 HB1 ALA A 104 28.664 -13.335 -6.720 1.00 0.00 H new ATOM 0 HB2 ALA A 104 28.140 -11.957 -7.718 1.00 0.00 H new ATOM 0 HB3 ALA A 104 27.096 -13.390 -7.559 1.00 0.00 H new ATOM 1598 N ILE A 105 27.659 -15.817 -8.779 1.00 0.00 N ATOM 1599 CA ILE A 105 27.564 -17.261 -8.642 1.00 0.00 C ATOM 1600 C ILE A 105 28.305 -17.964 -9.774 1.00 0.00 C ATOM 1601 O ILE A 105 28.886 -19.032 -9.576 1.00 0.00 O ATOM 1602 CB ILE A 105 26.096 -17.676 -8.638 1.00 0.00 C ATOM 1603 CG1 ILE A 105 25.380 -17.048 -9.832 1.00 0.00 C ATOM 1604 CG2 ILE A 105 25.429 -17.216 -7.343 1.00 0.00 C ATOM 1605 CD1 ILE A 105 23.949 -17.581 -9.922 1.00 0.00 C ATOM 0 H ILE A 105 26.770 -15.349 -8.954 1.00 0.00 H new ATOM 0 HA ILE A 105 28.028 -17.555 -7.700 1.00 0.00 H new ATOM 0 HB ILE A 105 26.033 -18.762 -8.708 1.00 0.00 H new ATOM 0 HG12 ILE A 105 25.367 -15.963 -9.729 1.00 0.00 H new ATOM 0 HG13 ILE A 105 25.920 -17.275 -10.751 1.00 0.00 H new ATOM 0 HG21 ILE A 105 24.381 -17.516 -7.347 1.00 0.00 H new ATOM 0 HG22 ILE A 105 25.934 -17.673 -6.492 1.00 0.00 H new ATOM 0 HG23 ILE A 105 25.496 -16.131 -7.265 1.00 0.00 H new ATOM 0 HD11 ILE A 105 23.445 -17.128 -10.776 1.00 0.00 H new ATOM 0 HD12 ILE A 105 23.971 -18.664 -10.046 1.00 0.00 H new ATOM 0 HD13 ILE A 105 23.410 -17.331 -9.008 1.00 0.00 H new ATOM 1617 N ILE A 106 28.290 -17.360 -10.950 1.00 0.00 N ATOM 1618 CA ILE A 106 28.973 -17.930 -12.102 1.00 0.00 C ATOM 1619 C ILE A 106 30.470 -18.010 -11.842 1.00 0.00 C ATOM 1620 O ILE A 106 31.118 -18.995 -12.191 1.00 0.00 O ATOM 1621 CB ILE A 106 28.704 -17.090 -13.351 1.00 0.00 C ATOM 1622 CG1 ILE A 106 27.244 -17.256 -13.782 1.00 0.00 C ATOM 1623 CG2 ILE A 106 29.616 -17.539 -14.497 1.00 0.00 C ATOM 1624 CD1 ILE A 106 26.875 -16.202 -14.840 1.00 0.00 C ATOM 0 H ILE A 106 27.814 -16.477 -11.134 1.00 0.00 H new ATOM 0 HA ILE A 106 28.589 -18.937 -12.267 1.00 0.00 H new ATOM 0 HB ILE A 106 28.904 -16.044 -13.117 1.00 0.00 H new ATOM 0 HG12 ILE A 106 27.089 -18.256 -14.186 1.00 0.00 H new ATOM 0 HG13 ILE A 106 26.589 -17.157 -12.916 1.00 0.00 H new ATOM 0 HG21 ILE A 106 29.415 -16.933 -15.381 1.00 0.00 H new ATOM 0 HG22 ILE A 106 30.658 -17.416 -14.202 1.00 0.00 H new ATOM 0 HG23 ILE A 106 29.425 -18.588 -14.725 1.00 0.00 H new ATOM 0 HD11 ILE A 106 25.834 -16.333 -15.136 1.00 0.00 H new ATOM 0 HD12 ILE A 106 27.011 -15.204 -14.422 1.00 0.00 H new ATOM 0 HD13 ILE A 106 27.518 -16.321 -15.712 1.00 0.00 H new ATOM 1636 N LEU A 107 31.015 -16.957 -11.252 1.00 0.00 N ATOM 1637 CA LEU A 107 32.441 -16.920 -10.980 1.00 0.00 C ATOM 1638 C LEU A 107 32.845 -18.083 -10.081 1.00 0.00 C ATOM 1639 O LEU A 107 33.868 -18.726 -10.307 1.00 0.00 O ATOM 1640 CB LEU A 107 32.808 -15.593 -10.297 1.00 0.00 C ATOM 1641 CG LEU A 107 34.321 -15.541 -10.021 1.00 0.00 C ATOM 1642 CD1 LEU A 107 35.102 -15.666 -11.341 1.00 0.00 C ATOM 1643 CD2 LEU A 107 34.665 -14.215 -9.336 1.00 0.00 C ATOM 0 H LEU A 107 30.499 -16.128 -10.956 1.00 0.00 H new ATOM 0 HA LEU A 107 32.975 -17.004 -11.926 1.00 0.00 H new ATOM 0 HB2 LEU A 107 32.517 -14.756 -10.932 1.00 0.00 H new ATOM 0 HB3 LEU A 107 32.256 -15.491 -9.362 1.00 0.00 H new ATOM 0 HG LEU A 107 34.598 -16.370 -9.370 1.00 0.00 H new ATOM 0 HD11 LEU A 107 36.172 -15.628 -11.136 1.00 0.00 H new ATOM 0 HD12 LEU A 107 34.858 -16.614 -11.820 1.00 0.00 H new ATOM 0 HD13 LEU A 107 34.830 -14.844 -12.004 1.00 0.00 H new ATOM 0 HD21 LEU A 107 35.736 -14.175 -9.139 1.00 0.00 H new ATOM 0 HD22 LEU A 107 34.384 -13.386 -9.986 1.00 0.00 H new ATOM 0 HD23 LEU A 107 34.120 -14.139 -8.395 1.00 0.00 H new ATOM 1655 N ILE A 108 32.041 -18.347 -9.064 1.00 0.00 N ATOM 1656 CA ILE A 108 32.329 -19.435 -8.135 1.00 0.00 C ATOM 1657 C ILE A 108 32.309 -20.773 -8.858 1.00 0.00 C ATOM 1658 O ILE A 108 33.168 -21.624 -8.631 1.00 0.00 O ATOM 1659 CB ILE A 108 31.300 -19.445 -7.006 1.00 0.00 C ATOM 1660 CG1 ILE A 108 31.234 -18.055 -6.360 1.00 0.00 C ATOM 1661 CG2 ILE A 108 31.697 -20.478 -5.950 1.00 0.00 C ATOM 1662 CD1 ILE A 108 32.625 -17.612 -5.877 1.00 0.00 C ATOM 0 H ILE A 108 31.187 -17.828 -8.859 1.00 0.00 H new ATOM 0 HA ILE A 108 33.323 -19.277 -7.716 1.00 0.00 H new ATOM 0 HB ILE A 108 30.324 -19.705 -7.414 1.00 0.00 H new ATOM 0 HG12 ILE A 108 30.846 -17.333 -7.079 1.00 0.00 H new ATOM 0 HG13 ILE A 108 30.540 -18.072 -5.519 1.00 0.00 H new ATOM 0 HG21 ILE A 108 30.959 -20.480 -5.148 1.00 0.00 H new ATOM 0 HG22 ILE A 108 31.740 -21.467 -6.406 1.00 0.00 H new ATOM 0 HG23 ILE A 108 32.675 -20.224 -5.542 1.00 0.00 H new ATOM 0 HD11 ILE A 108 32.555 -16.624 -5.422 1.00 0.00 H new ATOM 0 HD12 ILE A 108 32.999 -18.324 -5.141 1.00 0.00 H new ATOM 0 HD13 ILE A 108 33.309 -17.574 -6.725 1.00 0.00 H new ATOM 1674 N ILE A 109 31.326 -20.953 -9.726 1.00 0.00 N ATOM 1675 CA ILE A 109 31.202 -22.194 -10.475 1.00 0.00 C ATOM 1676 C ILE A 109 32.428 -22.403 -11.363 1.00 0.00 C ATOM 1677 O ILE A 109 32.953 -23.512 -11.457 1.00 0.00 O ATOM 1678 CB ILE A 109 29.941 -22.160 -11.344 1.00 0.00 C ATOM 1679 CG1 ILE A 109 28.704 -22.179 -10.441 1.00 0.00 C ATOM 1680 CG2 ILE A 109 29.912 -23.384 -12.267 1.00 0.00 C ATOM 1681 CD1 ILE A 109 27.455 -21.889 -11.275 1.00 0.00 C ATOM 0 H ILE A 109 30.606 -20.260 -9.929 1.00 0.00 H new ATOM 0 HA ILE A 109 31.130 -23.019 -9.767 1.00 0.00 H new ATOM 0 HB ILE A 109 29.945 -21.253 -11.948 1.00 0.00 H new ATOM 0 HG12 ILE A 109 28.611 -23.150 -9.955 1.00 0.00 H new ATOM 0 HG13 ILE A 109 28.807 -21.435 -9.651 1.00 0.00 H new ATOM 0 HG21 ILE A 109 29.013 -23.354 -12.883 1.00 0.00 H new ATOM 0 HG22 ILE A 109 30.792 -23.376 -12.910 1.00 0.00 H new ATOM 0 HG23 ILE A 109 29.910 -24.293 -11.666 1.00 0.00 H new ATOM 0 HD11 ILE A 109 26.576 -21.903 -10.631 1.00 0.00 H new ATOM 0 HD12 ILE A 109 27.548 -20.908 -11.741 1.00 0.00 H new ATOM 0 HD13 ILE A 109 27.350 -22.649 -12.049 1.00 0.00 H new ATOM 1693 N ILE A 110 32.871 -21.336 -12.017 1.00 0.00 N ATOM 1694 CA ILE A 110 34.029 -21.429 -12.896 1.00 0.00 C ATOM 1695 C ILE A 110 35.271 -21.823 -12.104 1.00 0.00 C ATOM 1696 O ILE A 110 36.044 -22.681 -12.531 1.00 0.00 O ATOM 1697 CB ILE A 110 34.262 -20.079 -13.586 1.00 0.00 C ATOM 1698 CG1 ILE A 110 33.110 -19.799 -14.555 1.00 0.00 C ATOM 1699 CG2 ILE A 110 35.583 -20.115 -14.362 1.00 0.00 C ATOM 1700 CD1 ILE A 110 33.173 -18.340 -15.011 1.00 0.00 C ATOM 0 H ILE A 110 32.452 -20.408 -11.957 1.00 0.00 H new ATOM 0 HA ILE A 110 33.837 -22.195 -13.648 1.00 0.00 H new ATOM 0 HB ILE A 110 34.308 -19.292 -12.833 1.00 0.00 H new ATOM 0 HG12 ILE A 110 33.175 -20.464 -15.416 1.00 0.00 H new ATOM 0 HG13 ILE A 110 32.155 -19.999 -14.069 1.00 0.00 H new ATOM 0 HG21 ILE A 110 35.744 -19.154 -14.850 1.00 0.00 H new ATOM 0 HG22 ILE A 110 36.404 -20.314 -13.673 1.00 0.00 H new ATOM 0 HG23 ILE A 110 35.541 -20.902 -15.115 1.00 0.00 H new ATOM 0 HD11 ILE A 110 32.354 -18.139 -15.701 1.00 0.00 H new ATOM 0 HD12 ILE A 110 33.087 -17.684 -14.145 1.00 0.00 H new ATOM 0 HD13 ILE A 110 34.123 -18.156 -15.513 1.00 0.00 H new ATOM 1712 N ILE A 111 35.460 -21.191 -10.953 1.00 0.00 N ATOM 1713 CA ILE A 111 36.617 -21.491 -10.116 1.00 0.00 C ATOM 1714 C ILE A 111 36.549 -22.919 -9.593 1.00 0.00 C ATOM 1715 O ILE A 111 37.545 -23.642 -9.610 1.00 0.00 O ATOM 1716 CB ILE A 111 36.677 -20.508 -8.938 1.00 0.00 C ATOM 1717 CG1 ILE A 111 36.972 -19.093 -9.463 1.00 0.00 C ATOM 1718 CG2 ILE A 111 37.778 -20.929 -7.960 1.00 0.00 C ATOM 1719 CD1 ILE A 111 38.338 -19.029 -10.179 1.00 0.00 C ATOM 0 H ILE A 111 34.836 -20.476 -10.580 1.00 0.00 H new ATOM 0 HA ILE A 111 37.517 -21.387 -10.722 1.00 0.00 H new ATOM 0 HB ILE A 111 35.718 -20.514 -8.421 1.00 0.00 H new ATOM 0 HG12 ILE A 111 36.184 -18.788 -10.152 1.00 0.00 H new ATOM 0 HG13 ILE A 111 36.961 -18.386 -8.633 1.00 0.00 H new ATOM 0 HG21 ILE A 111 37.813 -20.226 -7.128 1.00 0.00 H new ATOM 0 HG22 ILE A 111 37.566 -21.929 -7.582 1.00 0.00 H new ATOM 0 HG23 ILE A 111 38.739 -20.932 -8.474 1.00 0.00 H new ATOM 0 HD11 ILE A 111 38.514 -18.015 -10.537 1.00 0.00 H new ATOM 0 HD12 ILE A 111 39.128 -19.310 -9.482 1.00 0.00 H new ATOM 0 HD13 ILE A 111 38.338 -19.717 -11.024 1.00 0.00 H new ATOM 1731 N VAL A 112 35.374 -23.316 -9.132 1.00 0.00 N ATOM 1732 CA VAL A 112 35.186 -24.655 -8.604 1.00 0.00 C ATOM 1733 C VAL A 112 35.320 -25.683 -9.720 1.00 0.00 C ATOM 1734 O VAL A 112 35.949 -26.727 -9.545 1.00 0.00 O ATOM 1735 CB VAL A 112 33.809 -24.769 -7.944 1.00 0.00 C ATOM 1736 CG1 VAL A 112 33.553 -26.221 -7.539 1.00 0.00 C ATOM 1737 CG2 VAL A 112 33.766 -23.878 -6.699 1.00 0.00 C ATOM 0 H VAL A 112 34.539 -22.731 -9.113 1.00 0.00 H new ATOM 0 HA VAL A 112 35.954 -24.850 -7.855 1.00 0.00 H new ATOM 0 HB VAL A 112 33.042 -24.449 -8.649 1.00 0.00 H new ATOM 0 HG11 VAL A 112 32.573 -26.300 -7.069 1.00 0.00 H new ATOM 0 HG12 VAL A 112 33.584 -26.856 -8.424 1.00 0.00 H new ATOM 0 HG13 VAL A 112 34.320 -26.543 -6.834 1.00 0.00 H new ATOM 0 HG21 VAL A 112 32.786 -23.958 -6.228 1.00 0.00 H new ATOM 0 HG22 VAL A 112 34.534 -24.199 -5.995 1.00 0.00 H new ATOM 0 HG23 VAL A 112 33.947 -22.842 -6.986 1.00 0.00 H new ATOM 1747 N TYR A 113 34.719 -25.378 -10.864 1.00 0.00 N ATOM 1748 CA TYR A 113 34.767 -26.285 -12.000 1.00 0.00 C ATOM 1749 C TYR A 113 36.200 -26.493 -12.461 1.00 0.00 C ATOM 1750 O TYR A 113 36.599 -27.598 -12.810 1.00 0.00 O ATOM 1751 CB TYR A 113 33.921 -25.735 -13.153 1.00 0.00 C ATOM 1752 CG TYR A 113 34.012 -26.669 -14.336 1.00 0.00 C ATOM 1753 CD1 TYR A 113 33.198 -27.808 -14.392 1.00 0.00 C ATOM 1754 CD2 TYR A 113 34.905 -26.395 -15.378 1.00 0.00 C ATOM 1755 CE1 TYR A 113 33.280 -28.675 -15.490 1.00 0.00 C ATOM 1756 CE2 TYR A 113 34.988 -27.261 -16.475 1.00 0.00 C ATOM 1757 CZ TYR A 113 34.175 -28.400 -16.532 1.00 0.00 C ATOM 1758 OH TYR A 113 34.256 -29.252 -17.614 1.00 0.00 O ATOM 0 H TYR A 113 34.197 -24.517 -11.027 1.00 0.00 H new ATOM 0 HA TYR A 113 34.360 -27.247 -11.687 1.00 0.00 H new ATOM 0 HB2 TYR A 113 32.883 -25.630 -12.838 1.00 0.00 H new ATOM 0 HB3 TYR A 113 34.271 -24.741 -13.433 1.00 0.00 H new ATOM 0 HD1 TYR A 113 32.507 -28.018 -13.589 1.00 0.00 H new ATOM 0 HD2 TYR A 113 35.530 -25.515 -15.336 1.00 0.00 H new ATOM 0 HE1 TYR A 113 32.654 -29.554 -15.533 1.00 0.00 H new ATOM 0 HE2 TYR A 113 35.679 -27.051 -17.278 1.00 0.00 H new ATOM 0 HH TYR A 113 34.924 -28.915 -18.246 1.00 0.00 H new ATOM 1768 N PHE A 114 36.966 -25.419 -12.462 1.00 0.00 N ATOM 1769 CA PHE A 114 38.363 -25.485 -12.878 1.00 0.00 C ATOM 1770 C PHE A 114 39.164 -26.375 -11.933 1.00 0.00 C ATOM 1771 O PHE A 114 40.009 -27.161 -12.365 1.00 0.00 O ATOM 1772 CB PHE A 114 38.971 -24.083 -12.917 1.00 0.00 C ATOM 1773 CG PHE A 114 40.354 -24.150 -13.527 1.00 0.00 C ATOM 1774 CD1 PHE A 114 40.502 -24.269 -14.915 1.00 0.00 C ATOM 1775 CD2 PHE A 114 41.487 -24.093 -12.706 1.00 0.00 C ATOM 1776 CE1 PHE A 114 41.782 -24.329 -15.482 1.00 0.00 C ATOM 1777 CE2 PHE A 114 42.766 -24.154 -13.273 1.00 0.00 C ATOM 1778 CZ PHE A 114 42.913 -24.272 -14.661 1.00 0.00 C ATOM 0 H PHE A 114 36.650 -24.491 -12.181 1.00 0.00 H new ATOM 0 HA PHE A 114 38.402 -25.916 -13.878 1.00 0.00 H new ATOM 0 HB2 PHE A 114 38.336 -23.416 -13.500 1.00 0.00 H new ATOM 0 HB3 PHE A 114 39.026 -23.671 -11.910 1.00 0.00 H new ATOM 0 HD1 PHE A 114 39.629 -24.315 -15.549 1.00 0.00 H new ATOM 0 HD2 PHE A 114 41.374 -24.002 -11.636 1.00 0.00 H new ATOM 0 HE1 PHE A 114 41.895 -24.419 -16.552 1.00 0.00 H new ATOM 0 HE2 PHE A 114 43.640 -24.110 -12.640 1.00 0.00 H new ATOM 0 HZ PHE A 114 43.900 -24.319 -15.097 1.00 0.00 H new ATOM 1788 N SER A 115 38.898 -26.232 -10.644 1.00 0.00 N ATOM 1789 CA SER A 115 39.597 -27.012 -9.632 1.00 0.00 C ATOM 1790 C SER A 115 39.239 -28.486 -9.739 1.00 0.00 C ATOM 1791 O SER A 115 39.960 -29.345 -9.229 1.00 0.00 O ATOM 1792 CB SER A 115 39.248 -26.506 -8.233 1.00 0.00 C ATOM 1793 OG SER A 115 39.987 -27.244 -7.269 1.00 0.00 O ATOM 0 H SER A 115 38.204 -25.584 -10.273 1.00 0.00 H new ATOM 0 HA SER A 115 40.667 -26.896 -9.802 1.00 0.00 H new ATOM 0 HB2 SER A 115 39.479 -25.444 -8.150 1.00 0.00 H new ATOM 0 HB3 SER A 115 38.179 -26.615 -8.050 1.00 0.00 H new ATOM 0 HG SER A 115 39.767 -26.921 -6.370 1.00 0.00 H new ATOM 1799 N THR A 116 38.124 -28.774 -10.403 1.00 0.00 N ATOM 1800 CA THR A 116 37.678 -30.156 -10.570 1.00 0.00 C ATOM 1801 C THR A 116 38.864 -31.084 -10.844 1.00 0.00 C ATOM 1802 O THR A 116 39.684 -30.730 -11.675 1.00 0.00 O ATOM 1803 CB THR A 116 36.680 -30.245 -11.731 1.00 0.00 C ATOM 1804 OG1 THR A 116 36.045 -31.514 -11.707 1.00 0.00 O ATOM 1805 CG2 THR A 116 37.415 -30.064 -13.067 1.00 0.00 C ATOM 1806 OXT THR A 116 38.931 -32.131 -10.223 1.00 0.00 O ATOM 0 H THR A 116 37.516 -28.076 -10.832 1.00 0.00 H new ATOM 0 HA THR A 116 37.195 -30.472 -9.645 1.00 0.00 H new ATOM 0 HB THR A 116 35.933 -29.458 -11.626 1.00 0.00 H new ATOM 0 HG1 THR A 116 35.405 -31.574 -12.447 1.00 0.00 H new ATOM 0 HG21 THR A 116 36.700 -30.128 -13.887 1.00 0.00 H new ATOM 0 HG22 THR A 116 37.902 -29.089 -13.085 1.00 0.00 H new ATOM 0 HG23 THR A 116 38.166 -30.846 -13.178 1.00 0.00 H new