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 K(o=0,f=-1.4!) USER MOD Single : A 46 MET CE :methyl 157:sc= -0.0716 (180deg=-0.744) USER MOD Single : A 49 ASN : amide:sc= 0 K(o=0,f=-0.74) USER MOD Single : A 52 LYS NZ :NH3+ 160:sc= -0.0459 (180deg=-0.597) USER MOD Single : A 79 THR OG1 : rot -34:sc= 0.106 USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 LYS NZ :NH3+ -164:sc= -0.0155 (180deg=-0.297) 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 180:sc= 0 (180deg=0) USER MOD Single : A 103 CYS SG : rot 80:sc= 0.221 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 -14:sc= 1.22 USER MOD ----------------------------------------------------------------- ATOM 505 N GLN A 38 44.430 -9.034 -2.281 1.00 0.00 N ATOM 506 CA GLN A 38 44.670 -7.999 -3.278 1.00 0.00 C ATOM 507 C GLN A 38 43.645 -8.096 -4.405 1.00 0.00 C ATOM 508 O GLN A 38 43.358 -7.111 -5.084 1.00 0.00 O ATOM 509 CB GLN A 38 46.079 -8.146 -3.856 1.00 0.00 C ATOM 510 CG GLN A 38 46.383 -6.960 -4.772 1.00 0.00 C ATOM 511 CD GLN A 38 47.802 -7.076 -5.318 1.00 0.00 C ATOM 512 OE1 GLN A 38 48.617 -7.826 -4.781 1.00 0.00 O ATOM 513 NE2 GLN A 38 48.149 -6.372 -6.362 1.00 0.00 N ATOM 0 HA GLN A 38 44.575 -7.026 -2.795 1.00 0.00 H new ATOM 0 HB2 GLN A 38 46.811 -8.193 -3.050 1.00 0.00 H new ATOM 0 HB3 GLN A 38 46.159 -9.079 -4.414 1.00 0.00 H new ATOM 0 HG2 GLN A 38 45.669 -6.932 -5.595 1.00 0.00 H new ATOM 0 HG3 GLN A 38 46.271 -6.026 -4.221 1.00 0.00 H new ATOM 0 HE21 GLN A 38 47.473 -5.751 -6.806 1.00 0.00 H new ATOM 0 HE22 GLN A 38 49.096 -6.443 -6.733 1.00 0.00 H new ATOM 522 N VAL A 39 43.098 -9.292 -4.597 1.00 0.00 N ATOM 523 CA VAL A 39 42.106 -9.508 -5.645 1.00 0.00 C ATOM 524 C VAL A 39 40.871 -8.649 -5.394 1.00 0.00 C ATOM 525 O VAL A 39 40.313 -8.060 -6.320 1.00 0.00 O ATOM 526 CB VAL A 39 41.704 -10.983 -5.686 1.00 0.00 C ATOM 527 CG1 VAL A 39 40.994 -11.360 -4.382 1.00 0.00 C ATOM 528 CG2 VAL A 39 40.759 -11.220 -6.869 1.00 0.00 C ATOM 0 H VAL A 39 43.322 -10.120 -4.046 1.00 0.00 H new ATOM 0 HA VAL A 39 42.545 -9.225 -6.602 1.00 0.00 H new ATOM 0 HB VAL A 39 42.596 -11.598 -5.802 1.00 0.00 H new ATOM 0 HG11 VAL A 39 40.709 -12.412 -4.414 1.00 0.00 H new ATOM 0 HG12 VAL A 39 41.666 -11.192 -3.540 1.00 0.00 H new ATOM 0 HG13 VAL A 39 40.102 -10.745 -4.263 1.00 0.00 H new ATOM 0 HG21 VAL A 39 40.471 -12.271 -6.900 1.00 0.00 H new ATOM 0 HG22 VAL A 39 39.868 -10.603 -6.752 1.00 0.00 H new ATOM 0 HG23 VAL A 39 41.265 -10.955 -7.797 1.00 0.00 H new ATOM 538 N ASP A 40 40.451 -8.583 -4.135 1.00 0.00 N ATOM 539 CA ASP A 40 39.281 -7.792 -3.769 1.00 0.00 C ATOM 540 C ASP A 40 39.529 -6.311 -4.039 1.00 0.00 C ATOM 541 O ASP A 40 38.618 -5.582 -4.433 1.00 0.00 O ATOM 542 CB ASP A 40 38.952 -7.998 -2.287 1.00 0.00 C ATOM 543 CG ASP A 40 38.343 -9.380 -2.072 1.00 0.00 C ATOM 544 OD1 ASP A 40 37.947 -9.994 -3.048 1.00 0.00 O ATOM 545 OD2 ASP A 40 38.281 -9.805 -0.928 1.00 0.00 O ATOM 0 H ASP A 40 40.900 -9.064 -3.355 1.00 0.00 H new ATOM 0 HA ASP A 40 38.438 -8.123 -4.376 1.00 0.00 H new ATOM 0 HB2 ASP A 40 39.857 -7.894 -1.688 1.00 0.00 H new ATOM 0 HB3 ASP A 40 38.256 -7.229 -1.951 1.00 0.00 H new ATOM 550 N GLU A 41 40.763 -5.872 -3.819 1.00 0.00 N ATOM 551 CA GLU A 41 41.113 -4.473 -4.037 1.00 0.00 C ATOM 552 C GLU A 41 40.906 -4.095 -5.501 1.00 0.00 C ATOM 553 O GLU A 41 40.425 -3.006 -5.809 1.00 0.00 O ATOM 554 CB GLU A 41 42.574 -4.234 -3.647 1.00 0.00 C ATOM 555 CG GLU A 41 42.878 -2.732 -3.670 1.00 0.00 C ATOM 556 CD GLU A 41 42.165 -2.043 -2.513 1.00 0.00 C ATOM 557 OE1 GLU A 41 41.631 -2.745 -1.670 1.00 0.00 O ATOM 558 OE2 GLU A 41 42.169 -0.824 -2.482 1.00 0.00 O ATOM 0 H GLU A 41 41.532 -6.458 -3.493 1.00 0.00 H new ATOM 0 HA GLU A 41 40.466 -3.852 -3.417 1.00 0.00 H new ATOM 0 HB2 GLU A 41 42.765 -4.638 -2.653 1.00 0.00 H new ATOM 0 HB3 GLU A 41 43.235 -4.759 -4.337 1.00 0.00 H new ATOM 0 HG2 GLU A 41 43.953 -2.568 -3.596 1.00 0.00 H new ATOM 0 HG3 GLU A 41 42.554 -2.301 -4.617 1.00 0.00 H new ATOM 565 N VAL A 42 41.274 -5.001 -6.398 1.00 0.00 N ATOM 566 CA VAL A 42 41.127 -4.749 -7.827 1.00 0.00 C ATOM 567 C VAL A 42 39.656 -4.584 -8.188 1.00 0.00 C ATOM 568 O VAL A 42 39.292 -3.693 -8.957 1.00 0.00 O ATOM 569 CB VAL A 42 41.732 -5.905 -8.631 1.00 0.00 C ATOM 570 CG1 VAL A 42 41.453 -5.701 -10.124 1.00 0.00 C ATOM 571 CG2 VAL A 42 43.244 -5.958 -8.394 1.00 0.00 C ATOM 0 H VAL A 42 41.673 -5.910 -6.165 1.00 0.00 H new ATOM 0 HA VAL A 42 41.656 -3.828 -8.073 1.00 0.00 H new ATOM 0 HB VAL A 42 41.281 -6.843 -8.307 1.00 0.00 H new ATOM 0 HG11 VAL A 42 41.885 -6.526 -10.691 1.00 0.00 H new ATOM 0 HG12 VAL A 42 40.376 -5.670 -10.292 1.00 0.00 H new ATOM 0 HG13 VAL A 42 41.899 -4.762 -10.452 1.00 0.00 H new ATOM 0 HG21 VAL A 42 43.673 -6.780 -8.966 1.00 0.00 H new ATOM 0 HG22 VAL A 42 43.696 -5.019 -8.714 1.00 0.00 H new ATOM 0 HG23 VAL A 42 43.441 -6.112 -7.333 1.00 0.00 H new ATOM 581 N VAL A 43 38.816 -5.447 -7.634 1.00 0.00 N ATOM 582 CA VAL A 43 37.387 -5.388 -7.907 1.00 0.00 C ATOM 583 C VAL A 43 36.820 -4.042 -7.465 1.00 0.00 C ATOM 584 O VAL A 43 36.036 -3.422 -8.183 1.00 0.00 O ATOM 585 CB VAL A 43 36.668 -6.517 -7.171 1.00 0.00 C ATOM 586 CG1 VAL A 43 35.161 -6.414 -7.422 1.00 0.00 C ATOM 587 CG2 VAL A 43 37.178 -7.866 -7.682 1.00 0.00 C ATOM 0 H VAL A 43 39.097 -6.192 -6.997 1.00 0.00 H new ATOM 0 HA VAL A 43 37.231 -5.503 -8.980 1.00 0.00 H new ATOM 0 HB VAL A 43 36.865 -6.435 -6.102 1.00 0.00 H new ATOM 0 HG11 VAL A 43 34.649 -7.220 -6.897 1.00 0.00 H new ATOM 0 HG12 VAL A 43 34.796 -5.454 -7.058 1.00 0.00 H new ATOM 0 HG13 VAL A 43 34.964 -6.495 -8.491 1.00 0.00 H new ATOM 0 HG21 VAL A 43 36.665 -8.672 -7.157 1.00 0.00 H new ATOM 0 HG22 VAL A 43 36.982 -7.948 -8.751 1.00 0.00 H new ATOM 0 HG23 VAL A 43 38.250 -7.941 -7.503 1.00 0.00 H new ATOM 597 N ASP A 44 37.223 -3.597 -6.278 1.00 0.00 N ATOM 598 CA ASP A 44 36.748 -2.323 -5.754 1.00 0.00 C ATOM 599 C ASP A 44 37.129 -1.184 -6.693 1.00 0.00 C ATOM 600 O ASP A 44 36.319 -0.298 -6.961 1.00 0.00 O ATOM 601 CB ASP A 44 37.356 -2.066 -4.374 1.00 0.00 C ATOM 602 CG ASP A 44 36.652 -0.892 -3.701 1.00 0.00 C ATOM 603 OD1 ASP A 44 35.543 -0.581 -4.103 1.00 0.00 O ATOM 604 OD2 ASP A 44 37.234 -0.320 -2.793 1.00 0.00 O ATOM 0 H ASP A 44 37.871 -4.095 -5.667 1.00 0.00 H new ATOM 0 HA ASP A 44 35.662 -2.369 -5.672 1.00 0.00 H new ATOM 0 HB2 ASP A 44 37.263 -2.959 -3.755 1.00 0.00 H new ATOM 0 HB3 ASP A 44 38.421 -1.854 -4.471 1.00 0.00 H new ATOM 609 N ILE A 45 38.364 -1.213 -7.191 1.00 0.00 N ATOM 610 CA ILE A 45 38.834 -0.172 -8.100 1.00 0.00 C ATOM 611 C ILE A 45 38.025 -0.189 -9.396 1.00 0.00 C ATOM 612 O ILE A 45 37.636 0.858 -9.914 1.00 0.00 O ATOM 613 CB ILE A 45 40.317 -0.389 -8.412 1.00 0.00 C ATOM 614 CG1 ILE A 45 41.142 -0.140 -7.147 1.00 0.00 C ATOM 615 CG2 ILE A 45 40.764 0.587 -9.505 1.00 0.00 C ATOM 616 CD1 ILE A 45 42.570 -0.640 -7.364 1.00 0.00 C ATOM 0 H ILE A 45 39.050 -1.938 -6.983 1.00 0.00 H new ATOM 0 HA ILE A 45 38.703 0.797 -7.619 1.00 0.00 H new ATOM 0 HB ILE A 45 40.467 -1.412 -8.756 1.00 0.00 H new ATOM 0 HG12 ILE A 45 41.150 0.924 -6.908 1.00 0.00 H new ATOM 0 HG13 ILE A 45 40.690 -0.654 -6.298 1.00 0.00 H new ATOM 0 HG21 ILE A 45 41.820 0.429 -9.724 1.00 0.00 H new ATOM 0 HG22 ILE A 45 40.177 0.416 -10.407 1.00 0.00 H new ATOM 0 HG23 ILE A 45 40.614 1.611 -9.162 1.00 0.00 H new ATOM 0 HD11 ILE A 45 43.158 -0.463 -6.464 1.00 0.00 H new ATOM 0 HD12 ILE A 45 42.552 -1.708 -7.582 1.00 0.00 H new ATOM 0 HD13 ILE A 45 43.019 -0.106 -8.202 1.00 0.00 H new ATOM 628 N MET A 46 37.782 -1.384 -9.915 1.00 0.00 N ATOM 629 CA MET A 46 37.020 -1.528 -11.149 1.00 0.00 C ATOM 630 C MET A 46 35.567 -1.117 -10.935 1.00 0.00 C ATOM 631 O MET A 46 34.938 -0.545 -11.826 1.00 0.00 O ATOM 632 CB MET A 46 37.083 -2.976 -11.635 1.00 0.00 C ATOM 633 CG MET A 46 38.508 -3.296 -12.092 1.00 0.00 C ATOM 634 SD MET A 46 38.627 -5.050 -12.524 1.00 0.00 S ATOM 635 CE MET A 46 37.602 -5.006 -14.017 1.00 0.00 C ATOM 0 H MET A 46 38.098 -2.263 -9.505 1.00 0.00 H new ATOM 0 HA MET A 46 37.458 -0.875 -11.904 1.00 0.00 H new ATOM 0 HB2 MET A 46 36.785 -3.653 -10.835 1.00 0.00 H new ATOM 0 HB3 MET A 46 36.383 -3.126 -12.457 1.00 0.00 H new ATOM 0 HG2 MET A 46 38.772 -2.680 -12.952 1.00 0.00 H new ATOM 0 HG3 MET A 46 39.217 -3.057 -11.299 1.00 0.00 H new ATOM 0 HE1 MET A 46 37.858 -5.849 -14.659 1.00 0.00 H new ATOM 0 HE2 MET A 46 36.550 -5.069 -13.738 1.00 0.00 H new ATOM 0 HE3 MET A 46 37.780 -4.074 -14.553 1.00 0.00 H new ATOM 645 N ARG A 47 35.035 -1.421 -9.755 1.00 0.00 N ATOM 646 CA ARG A 47 33.650 -1.085 -9.447 1.00 0.00 C ATOM 647 C ARG A 47 33.420 0.420 -9.536 1.00 0.00 C ATOM 648 O ARG A 47 32.462 0.875 -10.163 1.00 0.00 O ATOM 649 CB ARG A 47 33.306 -1.571 -8.037 1.00 0.00 C ATOM 650 CG ARG A 47 31.832 -1.289 -7.741 1.00 0.00 C ATOM 651 CD ARG A 47 31.450 -1.918 -6.401 1.00 0.00 C ATOM 652 NE ARG A 47 32.209 -1.305 -5.318 1.00 0.00 N ATOM 653 CZ ARG A 47 32.150 -1.787 -4.079 1.00 0.00 C ATOM 654 NH1 ARG A 47 31.397 -2.820 -3.817 1.00 0.00 N ATOM 655 NH2 ARG A 47 32.841 -1.225 -3.127 1.00 0.00 N ATOM 0 H ARG A 47 35.536 -1.895 -9.004 1.00 0.00 H new ATOM 0 HA ARG A 47 33.007 -1.577 -10.177 1.00 0.00 H new ATOM 0 HB2 ARG A 47 33.507 -2.639 -7.951 1.00 0.00 H new ATOM 0 HB3 ARG A 47 33.937 -1.068 -7.304 1.00 0.00 H new ATOM 0 HG2 ARG A 47 31.655 -0.214 -7.713 1.00 0.00 H new ATOM 0 HG3 ARG A 47 31.207 -1.695 -8.536 1.00 0.00 H new ATOM 0 HD2 ARG A 47 30.382 -1.790 -6.223 1.00 0.00 H new ATOM 0 HD3 ARG A 47 31.643 -2.991 -6.427 1.00 0.00 H new ATOM 0 HE ARG A 47 32.795 -0.493 -5.513 1.00 0.00 H new ATOM 0 HH11 ARG A 47 30.854 -3.257 -4.562 1.00 0.00 H new ATOM 0 HH12 ARG A 47 31.351 -3.190 -2.868 1.00 0.00 H new ATOM 0 HH21 ARG A 47 33.427 -0.416 -3.332 1.00 0.00 H new ATOM 0 HH22 ARG A 47 32.796 -1.595 -2.177 1.00 0.00 H new ATOM 669 N VAL A 48 34.306 1.190 -8.915 1.00 0.00 N ATOM 670 CA VAL A 48 34.195 2.639 -8.940 1.00 0.00 C ATOM 671 C VAL A 48 34.569 3.186 -10.313 1.00 0.00 C ATOM 672 O VAL A 48 34.114 4.258 -10.711 1.00 0.00 O ATOM 673 CB VAL A 48 35.100 3.255 -7.869 1.00 0.00 C ATOM 674 CG1 VAL A 48 36.550 2.834 -8.113 1.00 0.00 C ATOM 675 CG2 VAL A 48 34.995 4.780 -7.928 1.00 0.00 C ATOM 0 H VAL A 48 35.105 0.835 -8.391 1.00 0.00 H new ATOM 0 HA VAL A 48 33.159 2.907 -8.731 1.00 0.00 H new ATOM 0 HB VAL A 48 34.784 2.905 -6.886 1.00 0.00 H new ATOM 0 HG11 VAL A 48 37.190 3.275 -7.349 1.00 0.00 H new ATOM 0 HG12 VAL A 48 36.626 1.748 -8.068 1.00 0.00 H new ATOM 0 HG13 VAL A 48 36.869 3.179 -9.096 1.00 0.00 H new ATOM 0 HG21 VAL A 48 35.639 5.219 -7.166 1.00 0.00 H new ATOM 0 HG22 VAL A 48 35.308 5.128 -8.912 1.00 0.00 H new ATOM 0 HG23 VAL A 48 33.963 5.081 -7.748 1.00 0.00 H new ATOM 685 N ASN A 49 35.407 2.444 -11.028 1.00 0.00 N ATOM 686 CA ASN A 49 35.845 2.865 -12.352 1.00 0.00 C ATOM 687 C ASN A 49 34.656 2.966 -13.300 1.00 0.00 C ATOM 688 O ASN A 49 34.575 3.882 -14.117 1.00 0.00 O ATOM 689 CB ASN A 49 36.865 1.867 -12.907 1.00 0.00 C ATOM 690 CG ASN A 49 37.371 2.340 -14.264 1.00 0.00 C ATOM 691 OD1 ASN A 49 37.550 3.540 -14.477 1.00 0.00 O ATOM 692 ND2 ASN A 49 37.616 1.465 -15.201 1.00 0.00 N ATOM 0 H ASN A 49 35.794 1.554 -10.715 1.00 0.00 H new ATOM 0 HA ASN A 49 36.311 3.847 -12.267 1.00 0.00 H new ATOM 0 HB2 ASN A 49 37.700 1.764 -12.214 1.00 0.00 H new ATOM 0 HB3 ASN A 49 36.408 0.882 -13.003 1.00 0.00 H new ATOM 0 HD21 ASN A 49 37.956 1.774 -16.111 1.00 0.00 H new ATOM 0 HD22 ASN A 49 37.467 0.472 -15.023 1.00 0.00 H new ATOM 699 N VAL A 50 33.735 2.014 -13.185 1.00 0.00 N ATOM 700 CA VAL A 50 32.554 2.001 -14.039 1.00 0.00 C ATOM 701 C VAL A 50 31.697 3.233 -13.787 1.00 0.00 C ATOM 702 O VAL A 50 31.193 3.859 -14.719 1.00 0.00 O ATOM 703 CB VAL A 50 31.733 0.735 -13.783 1.00 0.00 C ATOM 704 CG1 VAL A 50 30.464 0.771 -14.634 1.00 0.00 C ATOM 705 CG2 VAL A 50 32.563 -0.497 -14.158 1.00 0.00 C ATOM 0 H VAL A 50 33.783 1.247 -12.514 1.00 0.00 H new ATOM 0 HA VAL A 50 32.881 2.011 -15.079 1.00 0.00 H new ATOM 0 HB VAL A 50 31.463 0.684 -12.728 1.00 0.00 H new ATOM 0 HG11 VAL A 50 29.878 -0.130 -14.452 1.00 0.00 H new ATOM 0 HG12 VAL A 50 29.873 1.647 -14.369 1.00 0.00 H new ATOM 0 HG13 VAL A 50 30.735 0.822 -15.689 1.00 0.00 H new ATOM 0 HG21 VAL A 50 31.978 -1.399 -13.976 1.00 0.00 H new ATOM 0 HG22 VAL A 50 32.833 -0.447 -15.213 1.00 0.00 H new ATOM 0 HG23 VAL A 50 33.469 -0.523 -13.553 1.00 0.00 H new ATOM 715 N ASP A 51 31.539 3.570 -12.523 1.00 0.00 N ATOM 716 CA ASP A 51 30.741 4.733 -12.144 1.00 0.00 C ATOM 717 C ASP A 51 31.507 6.027 -12.417 1.00 0.00 C ATOM 718 O ASP A 51 30.910 7.098 -12.530 1.00 0.00 O ATOM 719 CB ASP A 51 30.376 4.662 -10.659 1.00 0.00 C ATOM 720 CG ASP A 51 29.357 3.552 -10.426 1.00 0.00 C ATOM 721 OD1 ASP A 51 28.776 3.093 -11.395 1.00 0.00 O ATOM 722 OD2 ASP A 51 29.170 3.177 -9.280 1.00 0.00 O ATOM 0 H ASP A 51 31.948 3.062 -11.739 1.00 0.00 H new ATOM 0 HA ASP A 51 29.830 4.728 -12.743 1.00 0.00 H new ATOM 0 HB2 ASP A 51 31.271 4.477 -10.064 1.00 0.00 H new ATOM 0 HB3 ASP A 51 29.967 5.617 -10.330 1.00 0.00 H new ATOM 727 N LYS A 52 32.830 5.923 -12.520 1.00 0.00 N ATOM 728 CA LYS A 52 33.661 7.090 -12.777 1.00 0.00 C ATOM 729 C LYS A 52 33.399 7.635 -14.172 1.00 0.00 C ATOM 730 O LYS A 52 33.199 8.835 -14.355 1.00 0.00 O ATOM 731 CB LYS A 52 35.138 6.714 -12.637 1.00 0.00 C ATOM 732 CG LYS A 52 36.002 7.966 -12.787 1.00 0.00 C ATOM 733 CD LYS A 52 37.473 7.599 -12.583 1.00 0.00 C ATOM 734 CE LYS A 52 38.334 8.855 -12.720 1.00 0.00 C ATOM 735 NZ LYS A 52 37.983 9.820 -11.640 1.00 0.00 N ATOM 0 H LYS A 52 33.344 5.047 -12.430 1.00 0.00 H new ATOM 0 HA LYS A 52 33.412 7.862 -12.049 1.00 0.00 H new ATOM 0 HB2 LYS A 52 35.316 6.252 -11.666 1.00 0.00 H new ATOM 0 HB3 LYS A 52 35.410 5.979 -13.395 1.00 0.00 H new ATOM 0 HG2 LYS A 52 35.859 8.403 -13.775 1.00 0.00 H new ATOM 0 HG3 LYS A 52 35.700 8.719 -12.059 1.00 0.00 H new ATOM 0 HD2 LYS A 52 37.615 7.153 -11.598 1.00 0.00 H new ATOM 0 HD3 LYS A 52 37.778 6.854 -13.317 1.00 0.00 H new ATOM 0 HE2 LYS A 52 39.390 8.593 -12.659 1.00 0.00 H new ATOM 0 HE3 LYS A 52 38.175 9.313 -13.697 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 38.761 10.498 -11.514 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 37.116 10.332 -11.900 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 37.827 9.304 -10.751 1.00 0.00 H new ATOM 1144 N THR A 79 28.373 4.460 -29.032 1.00 0.00 N ATOM 1145 CA THR A 79 26.954 4.763 -29.181 1.00 0.00 C ATOM 1146 C THR A 79 26.181 3.513 -29.592 1.00 0.00 C ATOM 1147 O THR A 79 25.108 3.233 -29.055 1.00 0.00 O ATOM 1148 CB THR A 79 26.761 5.851 -30.239 1.00 0.00 C ATOM 1149 OG1 THR A 79 27.344 5.428 -31.464 1.00 0.00 O ATOM 1150 CG2 THR A 79 27.429 7.145 -29.776 1.00 0.00 C ATOM 0 HA THR A 79 26.574 5.115 -28.222 1.00 0.00 H new ATOM 0 HB THR A 79 25.695 6.028 -30.384 1.00 0.00 H new ATOM 0 HG1 THR A 79 28.140 4.888 -31.278 1.00 0.00 H new ATOM 0 HG21 THR A 79 27.289 7.917 -30.532 1.00 0.00 H new ATOM 0 HG22 THR A 79 26.980 7.471 -28.838 1.00 0.00 H new ATOM 0 HG23 THR A 79 28.495 6.971 -29.627 1.00 0.00 H new ATOM 1158 N SER A 80 26.734 2.766 -30.541 1.00 0.00 N ATOM 1159 CA SER A 80 26.084 1.547 -31.010 1.00 0.00 C ATOM 1160 C SER A 80 25.945 0.542 -29.873 1.00 0.00 C ATOM 1161 O SER A 80 24.895 -0.077 -29.704 1.00 0.00 O ATOM 1162 CB SER A 80 26.899 0.927 -32.145 1.00 0.00 C ATOM 1163 OG SER A 80 26.242 -0.245 -32.610 1.00 0.00 O ATOM 0 H SER A 80 27.621 2.979 -30.997 1.00 0.00 H new ATOM 0 HA SER A 80 25.089 1.804 -31.374 1.00 0.00 H new ATOM 0 HB2 SER A 80 27.012 1.642 -32.960 1.00 0.00 H new ATOM 0 HB3 SER A 80 27.902 0.681 -31.796 1.00 0.00 H new ATOM 0 HG SER A 80 26.762 -0.644 -33.339 1.00 0.00 H new ATOM 1169 N ALA A 81 27.011 0.388 -29.093 1.00 0.00 N ATOM 1170 CA ALA A 81 26.999 -0.543 -27.970 1.00 0.00 C ATOM 1171 C ALA A 81 25.989 -0.104 -26.915 1.00 0.00 C ATOM 1172 O ALA A 81 25.365 -0.934 -26.253 1.00 0.00 O ATOM 1173 CB ALA A 81 28.391 -0.630 -27.342 1.00 0.00 C ATOM 0 H ALA A 81 27.889 0.893 -29.217 1.00 0.00 H new ATOM 0 HA ALA A 81 26.710 -1.525 -28.346 1.00 0.00 H new ATOM 0 HB1 ALA A 81 28.370 -1.328 -26.505 1.00 0.00 H new ATOM 0 HB2 ALA A 81 29.105 -0.979 -28.088 1.00 0.00 H new ATOM 0 HB3 ALA A 81 28.692 0.355 -26.985 1.00 0.00 H new ATOM 1179 N ALA A 82 25.837 1.206 -26.759 1.00 0.00 N ATOM 1180 CA ALA A 82 24.904 1.744 -25.775 1.00 0.00 C ATOM 1181 C ALA A 82 23.493 1.233 -26.040 1.00 0.00 C ATOM 1182 O ALA A 82 22.733 0.974 -25.108 1.00 0.00 O ATOM 1183 CB ALA A 82 24.914 3.274 -25.831 1.00 0.00 C ATOM 0 H ALA A 82 26.343 1.910 -27.296 1.00 0.00 H new ATOM 0 HA ALA A 82 25.217 1.414 -24.785 1.00 0.00 H new ATOM 0 HB1 ALA A 82 24.215 3.670 -25.094 1.00 0.00 H new ATOM 0 HB2 ALA A 82 25.917 3.640 -25.613 1.00 0.00 H new ATOM 0 HB3 ALA A 82 24.616 3.604 -26.826 1.00 0.00 H new ATOM 1189 N LYS A 83 23.147 1.091 -27.313 1.00 0.00 N ATOM 1190 CA LYS A 83 21.821 0.617 -27.685 1.00 0.00 C ATOM 1191 C LYS A 83 21.587 -0.787 -27.142 1.00 0.00 C ATOM 1192 O LYS A 83 20.509 -1.092 -26.628 1.00 0.00 O ATOM 1193 CB LYS A 83 21.692 0.602 -29.209 1.00 0.00 C ATOM 1194 CG LYS A 83 21.899 2.015 -29.773 1.00 0.00 C ATOM 1195 CD LYS A 83 20.753 2.938 -29.339 1.00 0.00 C ATOM 1196 CE LYS A 83 20.729 4.179 -30.230 1.00 0.00 C ATOM 1197 NZ LYS A 83 19.570 5.030 -29.844 1.00 0.00 N ATOM 0 H LYS A 83 23.762 1.296 -28.101 1.00 0.00 H new ATOM 0 HA LYS A 83 21.076 1.289 -27.259 1.00 0.00 H new ATOM 0 HB2 LYS A 83 22.427 -0.079 -29.637 1.00 0.00 H new ATOM 0 HB3 LYS A 83 20.708 0.229 -29.494 1.00 0.00 H new ATOM 0 HG2 LYS A 83 22.850 2.417 -29.424 1.00 0.00 H new ATOM 0 HG3 LYS A 83 21.950 1.975 -30.861 1.00 0.00 H new ATOM 0 HD2 LYS A 83 19.802 2.410 -29.408 1.00 0.00 H new ATOM 0 HD3 LYS A 83 20.882 3.229 -28.296 1.00 0.00 H new ATOM 0 HE2 LYS A 83 21.659 4.738 -30.123 1.00 0.00 H new ATOM 0 HE3 LYS A 83 20.651 3.889 -31.278 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 19.546 5.878 -30.446 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 18.688 4.493 -29.968 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 19.665 5.315 -28.848 1.00 0.00 H new ATOM 1211 N LEU A 84 22.596 -1.639 -27.258 1.00 0.00 N ATOM 1212 CA LEU A 84 22.484 -3.006 -26.772 1.00 0.00 C ATOM 1213 C LEU A 84 22.273 -3.014 -25.261 1.00 0.00 C ATOM 1214 O LEU A 84 21.467 -3.784 -24.739 1.00 0.00 O ATOM 1215 CB LEU A 84 23.755 -3.791 -27.123 1.00 0.00 C ATOM 1216 CG LEU A 84 23.691 -4.254 -28.581 1.00 0.00 C ATOM 1217 CD1 LEU A 84 23.591 -3.035 -29.500 1.00 0.00 C ATOM 1218 CD2 LEU A 84 24.960 -5.044 -28.914 1.00 0.00 C ATOM 0 H LEU A 84 23.495 -1.410 -27.681 1.00 0.00 H new ATOM 0 HA LEU A 84 21.626 -3.479 -27.250 1.00 0.00 H new ATOM 0 HB2 LEU A 84 24.634 -3.166 -26.968 1.00 0.00 H new ATOM 0 HB3 LEU A 84 23.856 -4.652 -26.462 1.00 0.00 H new ATOM 0 HG LEU A 84 22.816 -4.888 -28.727 1.00 0.00 H new ATOM 0 HD11 LEU A 84 23.545 -3.365 -30.538 1.00 0.00 H new ATOM 0 HD12 LEU A 84 22.690 -2.470 -29.259 1.00 0.00 H new ATOM 0 HD13 LEU A 84 24.466 -2.400 -29.359 1.00 0.00 H new ATOM 0 HD21 LEU A 84 24.920 -5.376 -29.951 1.00 0.00 H new ATOM 0 HD22 LEU A 84 25.833 -4.407 -28.770 1.00 0.00 H new ATOM 0 HD23 LEU A 84 25.031 -5.911 -28.258 1.00 0.00 H new ATOM 1230 N LYS A 85 23.005 -2.156 -24.561 1.00 0.00 N ATOM 1231 CA LYS A 85 22.890 -2.082 -23.111 1.00 0.00 C ATOM 1232 C LYS A 85 21.483 -1.668 -22.704 1.00 0.00 C ATOM 1233 O LYS A 85 20.914 -2.214 -21.764 1.00 0.00 O ATOM 1234 CB LYS A 85 23.900 -1.077 -22.555 1.00 0.00 C ATOM 1235 CG LYS A 85 25.319 -1.615 -22.757 1.00 0.00 C ATOM 1236 CD LYS A 85 26.329 -0.604 -22.213 1.00 0.00 C ATOM 1237 CE LYS A 85 27.749 -1.104 -22.483 1.00 0.00 C ATOM 1238 NZ LYS A 85 28.005 -2.335 -21.683 1.00 0.00 N ATOM 0 H LYS A 85 23.678 -1.508 -24.969 1.00 0.00 H new ATOM 0 HA LYS A 85 23.098 -3.070 -22.701 1.00 0.00 H new ATOM 0 HB2 LYS A 85 23.789 -0.117 -23.059 1.00 0.00 H new ATOM 0 HB3 LYS A 85 23.712 -0.905 -21.495 1.00 0.00 H new ATOM 0 HG2 LYS A 85 25.433 -2.571 -22.246 1.00 0.00 H new ATOM 0 HG3 LYS A 85 25.504 -1.796 -23.816 1.00 0.00 H new ATOM 0 HD2 LYS A 85 26.178 0.367 -22.685 1.00 0.00 H new ATOM 0 HD3 LYS A 85 26.179 -0.464 -21.142 1.00 0.00 H new ATOM 0 HE2 LYS A 85 27.875 -1.315 -23.545 1.00 0.00 H new ATOM 0 HE3 LYS A 85 28.473 -0.332 -22.223 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 29.028 -2.520 -21.649 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 27.645 -2.202 -20.716 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 27.521 -3.143 -22.125 1.00 0.00 H new ATOM 1252 N ARG A 86 20.926 -0.705 -23.419 1.00 0.00 N ATOM 1253 CA ARG A 86 19.585 -0.221 -23.121 1.00 0.00 C ATOM 1254 C ARG A 86 18.576 -1.356 -23.166 1.00 0.00 C ATOM 1255 O ARG A 86 17.528 -1.300 -22.519 1.00 0.00 O ATOM 1256 CB ARG A 86 19.193 0.841 -24.144 1.00 0.00 C ATOM 1257 CG ARG A 86 20.053 2.106 -23.967 1.00 0.00 C ATOM 1258 CD ARG A 86 19.473 3.001 -22.863 1.00 0.00 C ATOM 1259 NE ARG A 86 20.333 4.155 -22.642 1.00 0.00 N ATOM 1260 CZ ARG A 86 19.983 5.110 -21.790 1.00 0.00 C ATOM 1261 NH1 ARG A 86 18.854 5.020 -21.140 1.00 0.00 N ATOM 1262 NH2 ARG A 86 20.765 6.136 -21.604 1.00 0.00 N ATOM 0 H ARG A 86 21.378 -0.243 -24.208 1.00 0.00 H new ATOM 0 HA ARG A 86 19.585 0.204 -22.117 1.00 0.00 H new ATOM 0 HB2 ARG A 86 19.319 0.447 -25.152 1.00 0.00 H new ATOM 0 HB3 ARG A 86 18.139 1.092 -24.030 1.00 0.00 H new ATOM 0 HG2 ARG A 86 21.076 1.825 -23.716 1.00 0.00 H new ATOM 0 HG3 ARG A 86 20.096 2.658 -24.906 1.00 0.00 H new ATOM 0 HD2 ARG A 86 18.473 3.333 -23.143 1.00 0.00 H new ATOM 0 HD3 ARG A 86 19.373 2.431 -21.939 1.00 0.00 H new ATOM 0 HE ARG A 86 21.215 4.230 -23.148 1.00 0.00 H new ATOM 0 HH11 ARG A 86 18.243 4.217 -21.288 1.00 0.00 H new ATOM 0 HH12 ARG A 86 18.583 5.753 -20.485 1.00 0.00 H new ATOM 0 HH21 ARG A 86 21.646 6.205 -22.113 1.00 0.00 H new ATOM 0 HH22 ARG A 86 20.496 6.870 -20.949 1.00 0.00 H new ATOM 1403 N LEU A 93 20.149 1.417 -11.450 1.00 0.00 N ATOM 1404 CA LEU A 93 21.256 0.957 -10.619 1.00 0.00 C ATOM 1405 C LEU A 93 20.881 -0.332 -9.898 1.00 0.00 C ATOM 1406 O LEU A 93 21.712 -1.222 -9.725 1.00 0.00 O ATOM 1407 CB LEU A 93 21.624 2.030 -9.594 1.00 0.00 C ATOM 1408 CG LEU A 93 21.858 3.368 -10.306 1.00 0.00 C ATOM 1409 CD1 LEU A 93 22.197 4.445 -9.271 1.00 0.00 C ATOM 1410 CD2 LEU A 93 23.015 3.233 -11.311 1.00 0.00 C ATOM 0 HA LEU A 93 22.114 0.765 -11.263 1.00 0.00 H new ATOM 0 HB2 LEU A 93 20.826 2.133 -8.859 1.00 0.00 H new ATOM 0 HB3 LEU A 93 22.522 1.735 -9.051 1.00 0.00 H new ATOM 0 HG LEU A 93 20.953 3.652 -10.843 1.00 0.00 H new ATOM 0 HD11 LEU A 93 22.363 5.396 -9.777 1.00 0.00 H new ATOM 0 HD12 LEU A 93 21.370 4.547 -8.568 1.00 0.00 H new ATOM 0 HD13 LEU A 93 23.099 4.159 -8.730 1.00 0.00 H new ATOM 0 HD21 LEU A 93 23.175 4.188 -11.812 1.00 0.00 H new ATOM 0 HD22 LEU A 93 23.924 2.944 -10.783 1.00 0.00 H new ATOM 0 HD23 LEU A 93 22.767 2.472 -12.051 1.00 0.00 H new ATOM 1422 N LYS A 94 19.624 -0.423 -9.475 1.00 0.00 N ATOM 1423 CA LYS A 94 19.153 -1.606 -8.766 1.00 0.00 C ATOM 1424 C LYS A 94 19.334 -2.852 -9.630 1.00 0.00 C ATOM 1425 O LYS A 94 19.738 -3.905 -9.138 1.00 0.00 O ATOM 1426 CB LYS A 94 17.675 -1.443 -8.406 1.00 0.00 C ATOM 1427 CG LYS A 94 17.226 -2.623 -7.545 1.00 0.00 C ATOM 1428 CD LYS A 94 15.760 -2.435 -7.146 1.00 0.00 C ATOM 1429 CE LYS A 94 15.319 -3.602 -6.260 1.00 0.00 C ATOM 1430 NZ LYS A 94 13.906 -3.395 -5.834 1.00 0.00 N ATOM 0 H LYS A 94 18.919 0.302 -9.610 1.00 0.00 H new ATOM 0 HA LYS A 94 19.739 -1.720 -7.854 1.00 0.00 H new ATOM 0 HB2 LYS A 94 17.522 -0.508 -7.868 1.00 0.00 H new ATOM 0 HB3 LYS A 94 17.073 -1.391 -9.313 1.00 0.00 H new ATOM 0 HG2 LYS A 94 17.347 -3.556 -8.096 1.00 0.00 H new ATOM 0 HG3 LYS A 94 17.850 -2.695 -6.654 1.00 0.00 H new ATOM 0 HD2 LYS A 94 15.635 -1.492 -6.613 1.00 0.00 H new ATOM 0 HD3 LYS A 94 15.133 -2.383 -8.036 1.00 0.00 H new ATOM 0 HE2 LYS A 94 15.412 -4.542 -6.805 1.00 0.00 H new ATOM 0 HE3 LYS A 94 15.967 -3.674 -5.386 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 13.605 -4.188 -5.232 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 13.831 -2.506 -5.299 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 13.294 -3.346 -6.673 1.00 0.00 H new ATOM 1444 N MET A 95 19.034 -2.723 -10.918 1.00 0.00 N ATOM 1445 CA MET A 95 19.170 -3.845 -11.840 1.00 0.00 C ATOM 1446 C MET A 95 20.630 -4.272 -11.949 1.00 0.00 C ATOM 1447 O MET A 95 20.933 -5.462 -12.041 1.00 0.00 O ATOM 1448 CB MET A 95 18.643 -3.460 -13.223 1.00 0.00 C ATOM 1449 CG MET A 95 17.121 -3.311 -13.167 1.00 0.00 C ATOM 1450 SD MET A 95 16.497 -2.895 -14.813 1.00 0.00 S ATOM 1451 CE MET A 95 14.803 -2.496 -14.319 1.00 0.00 C ATOM 0 H MET A 95 18.698 -1.860 -11.345 1.00 0.00 H new ATOM 0 HA MET A 95 18.585 -4.679 -11.453 1.00 0.00 H new ATOM 0 HB2 MET A 95 19.099 -2.525 -13.550 1.00 0.00 H new ATOM 0 HB3 MET A 95 18.918 -4.221 -13.953 1.00 0.00 H new ATOM 0 HG2 MET A 95 16.666 -4.238 -12.817 1.00 0.00 H new ATOM 0 HG3 MET A 95 16.847 -2.533 -12.455 1.00 0.00 H new ATOM 0 HE1 MET A 95 14.227 -2.206 -15.198 1.00 0.00 H new ATOM 0 HE2 MET A 95 14.344 -3.369 -13.856 1.00 0.00 H new ATOM 0 HE3 MET A 95 14.817 -1.672 -13.606 1.00 0.00 H new ATOM 1461 N MET A 96 21.529 -3.295 -11.938 1.00 0.00 N ATOM 1462 CA MET A 96 22.955 -3.585 -12.035 1.00 0.00 C ATOM 1463 C MET A 96 23.405 -4.454 -10.867 1.00 0.00 C ATOM 1464 O MET A 96 24.190 -5.385 -11.041 1.00 0.00 O ATOM 1465 CB MET A 96 23.753 -2.279 -12.040 1.00 0.00 C ATOM 1466 CG MET A 96 25.244 -2.587 -12.209 1.00 0.00 C ATOM 1467 SD MET A 96 26.170 -1.038 -12.333 1.00 0.00 S ATOM 1468 CE MET A 96 27.798 -1.776 -12.615 1.00 0.00 C ATOM 0 H MET A 96 21.299 -2.304 -11.864 1.00 0.00 H new ATOM 0 HA MET A 96 23.135 -4.125 -12.965 1.00 0.00 H new ATOM 0 HB2 MET A 96 23.410 -1.635 -12.850 1.00 0.00 H new ATOM 0 HB3 MET A 96 23.587 -1.736 -11.109 1.00 0.00 H new ATOM 0 HG2 MET A 96 25.604 -3.171 -11.362 1.00 0.00 H new ATOM 0 HG3 MET A 96 25.403 -3.190 -13.103 1.00 0.00 H new ATOM 0 HE1 MET A 96 28.542 -0.986 -12.723 1.00 0.00 H new ATOM 0 HE2 MET A 96 28.062 -2.410 -11.768 1.00 0.00 H new ATOM 0 HE3 MET A 96 27.772 -2.377 -13.524 1.00 0.00 H new ATOM 1478 N ILE A 97 22.908 -4.140 -9.675 1.00 0.00 N ATOM 1479 CA ILE A 97 23.274 -4.900 -8.486 1.00 0.00 C ATOM 1480 C ILE A 97 22.796 -6.345 -8.611 1.00 0.00 C ATOM 1481 O ILE A 97 23.529 -7.280 -8.294 1.00 0.00 O ATOM 1482 CB ILE A 97 22.645 -4.257 -7.247 1.00 0.00 C ATOM 1483 CG1 ILE A 97 23.278 -2.884 -7.012 1.00 0.00 C ATOM 1484 CG2 ILE A 97 22.897 -5.143 -6.023 1.00 0.00 C ATOM 1485 CD1 ILE A 97 22.473 -2.124 -5.955 1.00 0.00 C ATOM 0 H ILE A 97 22.257 -3.373 -9.508 1.00 0.00 H new ATOM 0 HA ILE A 97 24.360 -4.895 -8.388 1.00 0.00 H new ATOM 0 HB ILE A 97 21.572 -4.147 -7.403 1.00 0.00 H new ATOM 0 HG12 ILE A 97 24.311 -3.000 -6.684 1.00 0.00 H new ATOM 0 HG13 ILE A 97 23.301 -2.318 -7.943 1.00 0.00 H new ATOM 0 HG21 ILE A 97 22.448 -4.683 -5.142 1.00 0.00 H new ATOM 0 HG22 ILE A 97 22.452 -6.124 -6.186 1.00 0.00 H new ATOM 0 HG23 ILE A 97 23.970 -5.253 -5.868 1.00 0.00 H new ATOM 0 HD11 ILE A 97 22.924 -1.146 -5.788 1.00 0.00 H new ATOM 0 HD12 ILE A 97 21.447 -1.996 -6.301 1.00 0.00 H new ATOM 0 HD13 ILE A 97 22.473 -2.688 -5.022 1.00 0.00 H new ATOM 1497 N ILE A 98 21.564 -6.515 -9.075 1.00 0.00 N ATOM 1498 CA ILE A 98 20.996 -7.848 -9.239 1.00 0.00 C ATOM 1499 C ILE A 98 21.780 -8.635 -10.280 1.00 0.00 C ATOM 1500 O ILE A 98 22.062 -9.819 -10.098 1.00 0.00 O ATOM 1501 CB ILE A 98 19.528 -7.747 -9.666 1.00 0.00 C ATOM 1502 CG1 ILE A 98 18.708 -7.158 -8.516 1.00 0.00 C ATOM 1503 CG2 ILE A 98 18.991 -9.142 -10.006 1.00 0.00 C ATOM 1504 CD1 ILE A 98 17.314 -6.785 -9.022 1.00 0.00 C ATOM 0 H ILE A 98 20.942 -5.752 -9.343 1.00 0.00 H new ATOM 0 HA ILE A 98 21.056 -8.369 -8.283 1.00 0.00 H new ATOM 0 HB ILE A 98 19.450 -7.105 -10.544 1.00 0.00 H new ATOM 0 HG12 ILE A 98 18.630 -7.880 -7.703 1.00 0.00 H new ATOM 0 HG13 ILE A 98 19.208 -6.277 -8.113 1.00 0.00 H new ATOM 0 HG21 ILE A 98 17.947 -9.066 -10.309 1.00 0.00 H new ATOM 0 HG22 ILE A 98 19.576 -9.568 -10.821 1.00 0.00 H new ATOM 0 HG23 ILE A 98 19.068 -9.785 -9.129 1.00 0.00 H new ATOM 0 HD11 ILE A 98 16.730 -6.365 -8.203 1.00 0.00 H new ATOM 0 HD12 ILE A 98 17.402 -6.048 -9.820 1.00 0.00 H new ATOM 0 HD13 ILE A 98 16.815 -7.676 -9.404 1.00 0.00 H new ATOM 1516 N LEU A 99 22.120 -7.972 -11.378 1.00 0.00 N ATOM 1517 CA LEU A 99 22.861 -8.629 -12.446 1.00 0.00 C ATOM 1518 C LEU A 99 24.201 -9.136 -11.931 1.00 0.00 C ATOM 1519 O LEU A 99 24.624 -10.243 -12.268 1.00 0.00 O ATOM 1520 CB LEU A 99 23.095 -7.650 -13.605 1.00 0.00 C ATOM 1521 CG LEU A 99 23.934 -8.320 -14.710 1.00 0.00 C ATOM 1522 CD1 LEU A 99 23.235 -9.595 -15.209 1.00 0.00 C ATOM 1523 CD2 LEU A 99 24.114 -7.337 -15.872 1.00 0.00 C ATOM 0 H LEU A 99 21.898 -6.992 -11.551 1.00 0.00 H new ATOM 0 HA LEU A 99 22.274 -9.476 -12.801 1.00 0.00 H new ATOM 0 HB2 LEU A 99 22.138 -7.323 -14.013 1.00 0.00 H new ATOM 0 HB3 LEU A 99 23.607 -6.759 -13.240 1.00 0.00 H new ATOM 0 HG LEU A 99 24.909 -8.593 -14.306 1.00 0.00 H new ATOM 0 HD11 LEU A 99 23.838 -10.059 -15.990 1.00 0.00 H new ATOM 0 HD12 LEU A 99 23.116 -10.293 -14.380 1.00 0.00 H new ATOM 0 HD13 LEU A 99 22.255 -9.339 -15.612 1.00 0.00 H new ATOM 0 HD21 LEU A 99 24.707 -7.806 -16.657 1.00 0.00 H new ATOM 0 HD22 LEU A 99 23.137 -7.062 -16.270 1.00 0.00 H new ATOM 0 HD23 LEU A 99 24.626 -6.443 -15.516 1.00 0.00 H new ATOM 1535 N GLY A 100 24.865 -8.323 -11.124 1.00 0.00 N ATOM 1536 CA GLY A 100 26.163 -8.701 -10.581 1.00 0.00 C ATOM 1537 C GLY A 100 26.051 -9.965 -9.739 1.00 0.00 C ATOM 1538 O GLY A 100 26.945 -10.812 -9.752 1.00 0.00 O ATOM 0 H GLY A 100 24.531 -7.405 -10.832 1.00 0.00 H new ATOM 0 HA2 GLY A 100 26.869 -8.863 -11.395 1.00 0.00 H new ATOM 0 HA3 GLY A 100 26.558 -7.888 -9.973 1.00 0.00 H new ATOM 1542 N VAL A 101 24.950 -10.089 -9.007 1.00 0.00 N ATOM 1543 CA VAL A 101 24.740 -11.258 -8.162 1.00 0.00 C ATOM 1544 C VAL A 101 24.679 -12.528 -9.008 1.00 0.00 C ATOM 1545 O VAL A 101 25.314 -13.531 -8.686 1.00 0.00 O ATOM 1546 CB VAL A 101 23.435 -11.103 -7.374 1.00 0.00 C ATOM 1547 CG1 VAL A 101 23.137 -12.392 -6.603 1.00 0.00 C ATOM 1548 CG2 VAL A 101 23.570 -9.938 -6.388 1.00 0.00 C ATOM 0 H VAL A 101 24.196 -9.402 -8.981 1.00 0.00 H new ATOM 0 HA VAL A 101 25.577 -11.338 -7.468 1.00 0.00 H new ATOM 0 HB VAL A 101 22.618 -10.903 -8.068 1.00 0.00 H new ATOM 0 HG11 VAL A 101 22.208 -12.276 -6.045 1.00 0.00 H new ATOM 0 HG12 VAL A 101 23.038 -13.221 -7.304 1.00 0.00 H new ATOM 0 HG13 VAL A 101 23.953 -12.599 -5.910 1.00 0.00 H new ATOM 0 HG21 VAL A 101 22.642 -9.827 -5.827 1.00 0.00 H new ATOM 0 HG22 VAL A 101 24.390 -10.138 -5.698 1.00 0.00 H new ATOM 0 HG23 VAL A 101 23.774 -9.019 -6.937 1.00 0.00 H new ATOM 1558 N ILE A 102 23.908 -12.478 -10.091 1.00 0.00 N ATOM 1559 CA ILE A 102 23.768 -13.635 -10.970 1.00 0.00 C ATOM 1560 C ILE A 102 25.104 -13.990 -11.602 1.00 0.00 C ATOM 1561 O ILE A 102 25.519 -15.149 -11.609 1.00 0.00 O ATOM 1562 CB ILE A 102 22.747 -13.331 -12.062 1.00 0.00 C ATOM 1563 CG1 ILE A 102 21.418 -12.919 -11.420 1.00 0.00 C ATOM 1564 CG2 ILE A 102 22.530 -14.581 -12.921 1.00 0.00 C ATOM 1565 CD1 ILE A 102 20.532 -12.260 -12.472 1.00 0.00 C ATOM 0 H ILE A 102 23.375 -11.657 -10.379 1.00 0.00 H new ATOM 0 HA ILE A 102 23.426 -14.484 -10.378 1.00 0.00 H new ATOM 0 HB ILE A 102 23.117 -12.518 -12.687 1.00 0.00 H new ATOM 0 HG12 ILE A 102 20.917 -13.792 -11.002 1.00 0.00 H new ATOM 0 HG13 ILE A 102 21.598 -12.229 -10.596 1.00 0.00 H new ATOM 0 HG21 ILE A 102 21.801 -14.364 -13.701 1.00 0.00 H new ATOM 0 HG22 ILE A 102 23.474 -14.876 -13.379 1.00 0.00 H new ATOM 0 HG23 ILE A 102 22.161 -15.393 -12.295 1.00 0.00 H new ATOM 0 HD11 ILE A 102 19.586 -11.966 -12.018 1.00 0.00 H new ATOM 0 HD12 ILE A 102 21.034 -11.378 -12.869 1.00 0.00 H new ATOM 0 HD13 ILE A 102 20.343 -12.965 -13.281 1.00 0.00 H new ATOM 1577 N CYS A 103 25.769 -12.979 -12.134 1.00 0.00 N ATOM 1578 CA CYS A 103 27.070 -13.181 -12.773 1.00 0.00 C ATOM 1579 C CYS A 103 28.083 -13.721 -11.768 1.00 0.00 C ATOM 1580 O CYS A 103 28.936 -14.540 -12.110 1.00 0.00 O ATOM 1581 CB CYS A 103 27.587 -11.866 -13.359 1.00 0.00 C ATOM 1582 SG CYS A 103 26.485 -11.334 -14.688 1.00 0.00 S ATOM 0 H CYS A 103 25.438 -12.014 -12.140 1.00 0.00 H new ATOM 0 HA CYS A 103 26.943 -13.907 -13.576 1.00 0.00 H new ATOM 0 HB2 CYS A 103 27.635 -11.102 -12.583 1.00 0.00 H new ATOM 0 HB3 CYS A 103 28.600 -11.997 -13.741 1.00 0.00 H new ATOM 0 HG CYS A 103 25.437 -10.758 -14.178 1.00 0.00 H new ATOM 1588 N ALA A 104 27.982 -13.256 -10.527 1.00 0.00 N ATOM 1589 CA ALA A 104 28.893 -13.696 -9.481 1.00 0.00 C ATOM 1590 C ALA A 104 28.781 -15.202 -9.272 1.00 0.00 C ATOM 1591 O ALA A 104 29.773 -15.876 -8.995 1.00 0.00 O ATOM 1592 CB ALA A 104 28.572 -12.975 -8.170 1.00 0.00 C ATOM 0 H ALA A 104 27.282 -12.579 -10.224 1.00 0.00 H new ATOM 0 HA ALA A 104 29.911 -13.456 -9.789 1.00 0.00 H new ATOM 0 HB1 ALA A 104 29.259 -13.310 -7.393 1.00 0.00 H new ATOM 0 HB2 ALA A 104 28.680 -11.899 -8.310 1.00 0.00 H new ATOM 0 HB3 ALA A 104 27.548 -13.201 -7.872 1.00 0.00 H new ATOM 1598 N ILE A 105 27.566 -15.722 -9.402 1.00 0.00 N ATOM 1599 CA ILE A 105 27.332 -17.149 -9.221 1.00 0.00 C ATOM 1600 C ILE A 105 28.074 -17.954 -10.283 1.00 0.00 C ATOM 1601 O ILE A 105 28.680 -18.982 -9.987 1.00 0.00 O ATOM 1602 CB ILE A 105 25.833 -17.453 -9.298 1.00 0.00 C ATOM 1603 CG1 ILE A 105 25.128 -16.822 -8.096 1.00 0.00 C ATOM 1604 CG2 ILE A 105 25.612 -18.970 -9.275 1.00 0.00 C ATOM 1605 CD1 ILE A 105 23.612 -16.892 -8.292 1.00 0.00 C ATOM 0 H ILE A 105 26.732 -15.180 -9.631 1.00 0.00 H new ATOM 0 HA ILE A 105 27.707 -17.435 -8.238 1.00 0.00 H new ATOM 0 HB ILE A 105 25.427 -17.042 -10.222 1.00 0.00 H new ATOM 0 HG12 ILE A 105 25.411 -17.343 -7.181 1.00 0.00 H new ATOM 0 HG13 ILE A 105 25.442 -15.785 -7.981 1.00 0.00 H new ATOM 0 HG21 ILE A 105 24.544 -19.183 -9.330 1.00 0.00 H new ATOM 0 HG22 ILE A 105 26.117 -19.424 -10.128 1.00 0.00 H new ATOM 0 HG23 ILE A 105 26.017 -19.383 -8.351 1.00 0.00 H new ATOM 0 HD11 ILE A 105 23.113 -16.442 -7.434 1.00 0.00 H new ATOM 0 HD12 ILE A 105 23.337 -16.351 -9.197 1.00 0.00 H new ATOM 0 HD13 ILE A 105 23.305 -17.934 -8.385 1.00 0.00 H new ATOM 1617 N ILE A 106 28.014 -17.480 -11.521 1.00 0.00 N ATOM 1618 CA ILE A 106 28.670 -18.163 -12.632 1.00 0.00 C ATOM 1619 C ILE A 106 30.179 -18.218 -12.408 1.00 0.00 C ATOM 1620 O ILE A 106 30.819 -19.234 -12.671 1.00 0.00 O ATOM 1621 CB ILE A 106 28.369 -17.440 -13.948 1.00 0.00 C ATOM 1622 CG1 ILE A 106 26.880 -17.581 -14.277 1.00 0.00 C ATOM 1623 CG2 ILE A 106 29.196 -18.064 -15.078 1.00 0.00 C ATOM 1624 CD1 ILE A 106 26.520 -16.640 -15.429 1.00 0.00 C ATOM 0 H ILE A 106 27.519 -16.627 -11.782 1.00 0.00 H new ATOM 0 HA ILE A 106 28.284 -19.181 -12.687 1.00 0.00 H new ATOM 0 HB ILE A 106 28.626 -16.385 -13.847 1.00 0.00 H new ATOM 0 HG12 ILE A 106 26.653 -18.611 -14.551 1.00 0.00 H new ATOM 0 HG13 ILE A 106 26.279 -17.345 -13.399 1.00 0.00 H new ATOM 0 HG21 ILE A 106 28.981 -17.548 -16.014 1.00 0.00 H new ATOM 0 HG22 ILE A 106 30.257 -17.969 -14.847 1.00 0.00 H new ATOM 0 HG23 ILE A 106 28.939 -19.119 -15.177 1.00 0.00 H new ATOM 0 HD11 ILE A 106 25.460 -16.740 -15.663 1.00 0.00 H new ATOM 0 HD12 ILE A 106 26.731 -15.611 -15.138 1.00 0.00 H new ATOM 0 HD13 ILE A 106 27.112 -16.897 -16.308 1.00 0.00 H new ATOM 1636 N LEU A 107 30.736 -17.113 -11.932 1.00 0.00 N ATOM 1637 CA LEU A 107 32.172 -17.035 -11.692 1.00 0.00 C ATOM 1638 C LEU A 107 32.608 -18.111 -10.706 1.00 0.00 C ATOM 1639 O LEU A 107 33.679 -18.697 -10.851 1.00 0.00 O ATOM 1640 CB LEU A 107 32.533 -15.658 -11.134 1.00 0.00 C ATOM 1641 CG LEU A 107 32.287 -14.580 -12.201 1.00 0.00 C ATOM 1642 CD1 LEU A 107 32.503 -13.191 -11.584 1.00 0.00 C ATOM 1643 CD2 LEU A 107 33.241 -14.777 -13.402 1.00 0.00 C ATOM 0 H LEU A 107 30.220 -16.263 -11.705 1.00 0.00 H new ATOM 0 HA LEU A 107 32.689 -17.192 -12.639 1.00 0.00 H new ATOM 0 HB2 LEU A 107 31.935 -15.447 -10.247 1.00 0.00 H new ATOM 0 HB3 LEU A 107 33.578 -15.644 -10.825 1.00 0.00 H new ATOM 0 HG LEU A 107 31.261 -14.665 -12.558 1.00 0.00 H new ATOM 0 HD11 LEU A 107 32.329 -12.426 -12.340 1.00 0.00 H new ATOM 0 HD12 LEU A 107 31.808 -13.048 -10.757 1.00 0.00 H new ATOM 0 HD13 LEU A 107 33.526 -13.111 -11.216 1.00 0.00 H new ATOM 0 HD21 LEU A 107 33.052 -14.004 -14.147 1.00 0.00 H new ATOM 0 HD22 LEU A 107 34.274 -14.708 -13.061 1.00 0.00 H new ATOM 0 HD23 LEU A 107 33.070 -15.758 -13.845 1.00 0.00 H new ATOM 1655 N ILE A 108 31.778 -18.370 -9.707 1.00 0.00 N ATOM 1656 CA ILE A 108 32.096 -19.380 -8.706 1.00 0.00 C ATOM 1657 C ILE A 108 32.252 -20.751 -9.360 1.00 0.00 C ATOM 1658 O ILE A 108 33.153 -21.516 -9.016 1.00 0.00 O ATOM 1659 CB ILE A 108 30.989 -19.435 -7.650 1.00 0.00 C ATOM 1660 CG1 ILE A 108 30.996 -18.133 -6.840 1.00 0.00 C ATOM 1661 CG2 ILE A 108 31.228 -20.623 -6.712 1.00 0.00 C ATOM 1662 CD1 ILE A 108 29.761 -18.074 -5.935 1.00 0.00 C ATOM 0 H ILE A 108 30.884 -17.899 -9.567 1.00 0.00 H new ATOM 0 HA ILE A 108 33.038 -19.110 -8.228 1.00 0.00 H new ATOM 0 HB ILE A 108 30.024 -19.555 -8.142 1.00 0.00 H new ATOM 0 HG12 ILE A 108 31.902 -18.075 -6.237 1.00 0.00 H new ATOM 0 HG13 ILE A 108 31.005 -17.276 -7.513 1.00 0.00 H new ATOM 0 HG21 ILE A 108 30.438 -20.659 -5.962 1.00 0.00 H new ATOM 0 HG22 ILE A 108 31.223 -21.548 -7.288 1.00 0.00 H new ATOM 0 HG23 ILE A 108 32.193 -20.508 -6.218 1.00 0.00 H new ATOM 0 HD11 ILE A 108 29.773 -17.146 -5.363 1.00 0.00 H new ATOM 0 HD12 ILE A 108 28.860 -18.111 -6.547 1.00 0.00 H new ATOM 0 HD13 ILE A 108 29.770 -18.922 -5.251 1.00 0.00 H new ATOM 1674 N ILE A 109 31.363 -21.058 -10.297 1.00 0.00 N ATOM 1675 CA ILE A 109 31.402 -22.348 -10.981 1.00 0.00 C ATOM 1676 C ILE A 109 32.768 -22.554 -11.630 1.00 0.00 C ATOM 1677 O ILE A 109 33.316 -23.657 -11.603 1.00 0.00 O ATOM 1678 CB ILE A 109 30.311 -22.405 -12.049 1.00 0.00 C ATOM 1679 CG1 ILE A 109 28.960 -22.026 -11.426 1.00 0.00 C ATOM 1680 CG2 ILE A 109 30.225 -23.818 -12.629 1.00 0.00 C ATOM 1681 CD1 ILE A 109 28.663 -22.893 -10.195 1.00 0.00 C ATOM 0 H ILE A 109 30.612 -20.438 -10.600 1.00 0.00 H new ATOM 0 HA ILE A 109 31.230 -23.139 -10.251 1.00 0.00 H new ATOM 0 HB ILE A 109 30.555 -21.703 -12.846 1.00 0.00 H new ATOM 0 HG12 ILE A 109 28.968 -20.974 -11.141 1.00 0.00 H new ATOM 0 HG13 ILE A 109 28.167 -22.150 -12.163 1.00 0.00 H new ATOM 0 HG21 ILE A 109 29.445 -23.852 -13.390 1.00 0.00 H new ATOM 0 HG22 ILE A 109 31.182 -24.086 -13.077 1.00 0.00 H new ATOM 0 HG23 ILE A 109 29.987 -24.524 -11.833 1.00 0.00 H new ATOM 0 HD11 ILE A 109 27.701 -22.606 -9.771 1.00 0.00 H new ATOM 0 HD12 ILE A 109 28.632 -23.942 -10.488 1.00 0.00 H new ATOM 0 HD13 ILE A 109 29.445 -22.748 -9.450 1.00 0.00 H new ATOM 1693 N ILE A 110 33.305 -21.498 -12.220 1.00 0.00 N ATOM 1694 CA ILE A 110 34.603 -21.586 -12.873 1.00 0.00 C ATOM 1695 C ILE A 110 35.685 -21.954 -11.860 1.00 0.00 C ATOM 1696 O ILE A 110 36.535 -22.801 -12.128 1.00 0.00 O ATOM 1697 CB ILE A 110 34.944 -20.248 -13.531 1.00 0.00 C ATOM 1698 CG1 ILE A 110 33.776 -19.805 -14.425 1.00 0.00 C ATOM 1699 CG2 ILE A 110 36.212 -20.392 -14.374 1.00 0.00 C ATOM 1700 CD1 ILE A 110 33.414 -20.906 -15.434 1.00 0.00 C ATOM 0 H ILE A 110 32.868 -20.577 -12.261 1.00 0.00 H new ATOM 0 HA ILE A 110 34.559 -22.363 -13.636 1.00 0.00 H new ATOM 0 HB ILE A 110 35.114 -19.499 -12.757 1.00 0.00 H new ATOM 0 HG12 ILE A 110 32.908 -19.571 -13.808 1.00 0.00 H new ATOM 0 HG13 ILE A 110 34.045 -18.892 -14.957 1.00 0.00 H new ATOM 0 HG21 ILE A 110 36.450 -19.436 -14.840 1.00 0.00 H new ATOM 0 HG22 ILE A 110 37.040 -20.700 -13.736 1.00 0.00 H new ATOM 0 HG23 ILE A 110 36.051 -21.143 -15.148 1.00 0.00 H new ATOM 0 HD11 ILE A 110 32.585 -20.571 -16.057 1.00 0.00 H new ATOM 0 HD12 ILE A 110 34.277 -21.120 -16.064 1.00 0.00 H new ATOM 0 HD13 ILE A 110 33.123 -21.809 -14.898 1.00 0.00 H new ATOM 1712 N ILE A 111 35.648 -21.315 -10.696 1.00 0.00 N ATOM 1713 CA ILE A 111 36.637 -21.594 -9.660 1.00 0.00 C ATOM 1714 C ILE A 111 36.538 -23.042 -9.187 1.00 0.00 C ATOM 1715 O ILE A 111 37.543 -23.748 -9.097 1.00 0.00 O ATOM 1716 CB ILE A 111 36.421 -20.652 -8.475 1.00 0.00 C ATOM 1717 CG1 ILE A 111 36.457 -19.194 -8.957 1.00 0.00 C ATOM 1718 CG2 ILE A 111 37.506 -20.881 -7.428 1.00 0.00 C ATOM 1719 CD1 ILE A 111 37.775 -18.886 -9.688 1.00 0.00 C ATOM 0 H ILE A 111 34.954 -20.610 -10.447 1.00 0.00 H new ATOM 0 HA ILE A 111 37.630 -21.435 -10.081 1.00 0.00 H new ATOM 0 HB ILE A 111 35.448 -20.855 -8.028 1.00 0.00 H new ATOM 0 HG12 ILE A 111 35.615 -19.007 -9.624 1.00 0.00 H new ATOM 0 HG13 ILE A 111 36.344 -18.523 -8.105 1.00 0.00 H new ATOM 0 HG21 ILE A 111 37.347 -20.207 -6.586 1.00 0.00 H new ATOM 0 HG22 ILE A 111 37.464 -21.913 -7.080 1.00 0.00 H new ATOM 0 HG23 ILE A 111 38.484 -20.687 -7.869 1.00 0.00 H new ATOM 0 HD11 ILE A 111 37.774 -17.847 -10.018 1.00 0.00 H new ATOM 0 HD12 ILE A 111 38.613 -19.050 -9.011 1.00 0.00 H new ATOM 0 HD13 ILE A 111 37.873 -19.542 -10.553 1.00 0.00 H new ATOM 1731 N VAL A 112 35.322 -23.479 -8.891 1.00 0.00 N ATOM 1732 CA VAL A 112 35.102 -24.841 -8.433 1.00 0.00 C ATOM 1733 C VAL A 112 35.424 -25.829 -9.544 1.00 0.00 C ATOM 1734 O VAL A 112 36.060 -26.857 -9.313 1.00 0.00 O ATOM 1735 CB VAL A 112 33.649 -25.014 -7.986 1.00 0.00 C ATOM 1736 CG1 VAL A 112 33.397 -26.477 -7.617 1.00 0.00 C ATOM 1737 CG2 VAL A 112 33.383 -24.129 -6.765 1.00 0.00 C ATOM 0 H VAL A 112 34.477 -22.912 -8.960 1.00 0.00 H new ATOM 0 HA VAL A 112 35.761 -25.037 -7.587 1.00 0.00 H new ATOM 0 HB VAL A 112 32.983 -24.725 -8.799 1.00 0.00 H new ATOM 0 HG11 VAL A 112 32.362 -26.599 -7.299 1.00 0.00 H new ATOM 0 HG12 VAL A 112 33.587 -27.109 -8.485 1.00 0.00 H new ATOM 0 HG13 VAL A 112 34.063 -26.767 -6.804 1.00 0.00 H new ATOM 0 HG21 VAL A 112 32.348 -24.251 -6.446 1.00 0.00 H new ATOM 0 HG22 VAL A 112 34.050 -24.419 -5.953 1.00 0.00 H new ATOM 0 HG23 VAL A 112 33.561 -23.086 -7.026 1.00 0.00 H new ATOM 1747 N TYR A 113 34.972 -25.513 -10.750 1.00 0.00 N ATOM 1748 CA TYR A 113 35.207 -26.385 -11.891 1.00 0.00 C ATOM 1749 C TYR A 113 36.698 -26.561 -12.140 1.00 0.00 C ATOM 1750 O TYR A 113 37.170 -27.666 -12.412 1.00 0.00 O ATOM 1751 CB TYR A 113 34.534 -25.813 -13.145 1.00 0.00 C ATOM 1752 CG TYR A 113 34.863 -26.681 -14.339 1.00 0.00 C ATOM 1753 CD1 TYR A 113 34.167 -27.879 -14.548 1.00 0.00 C ATOM 1754 CD2 TYR A 113 35.863 -26.288 -15.237 1.00 0.00 C ATOM 1755 CE1 TYR A 113 34.471 -28.682 -15.655 1.00 0.00 C ATOM 1756 CE2 TYR A 113 36.167 -27.092 -16.342 1.00 0.00 C ATOM 1757 CZ TYR A 113 35.472 -28.289 -16.551 1.00 0.00 C ATOM 1758 OH TYR A 113 35.772 -29.079 -17.640 1.00 0.00 O ATOM 0 H TYR A 113 34.445 -24.666 -10.962 1.00 0.00 H new ATOM 0 HA TYR A 113 34.775 -27.360 -11.667 1.00 0.00 H new ATOM 0 HB2 TYR A 113 33.454 -25.768 -13.002 1.00 0.00 H new ATOM 0 HB3 TYR A 113 34.875 -24.793 -13.320 1.00 0.00 H new ATOM 0 HD1 TYR A 113 33.396 -28.183 -13.856 1.00 0.00 H new ATOM 0 HD2 TYR A 113 36.400 -25.365 -15.077 1.00 0.00 H new ATOM 0 HE1 TYR A 113 33.933 -29.604 -15.817 1.00 0.00 H new ATOM 0 HE2 TYR A 113 36.939 -26.788 -17.034 1.00 0.00 H new ATOM 0 HH TYR A 113 36.489 -28.660 -18.160 1.00 0.00 H new ATOM 1768 N PHE A 114 37.428 -25.464 -12.051 1.00 0.00 N ATOM 1769 CA PHE A 114 38.866 -25.493 -12.275 1.00 0.00 C ATOM 1770 C PHE A 114 39.545 -26.437 -11.294 1.00 0.00 C ATOM 1771 O PHE A 114 40.415 -27.224 -11.670 1.00 0.00 O ATOM 1772 CB PHE A 114 39.452 -24.085 -12.121 1.00 0.00 C ATOM 1773 CG PHE A 114 40.942 -24.127 -12.373 1.00 0.00 C ATOM 1774 CD1 PHE A 114 41.429 -24.221 -13.684 1.00 0.00 C ATOM 1775 CD2 PHE A 114 41.838 -24.073 -11.296 1.00 0.00 C ATOM 1776 CE1 PHE A 114 42.810 -24.261 -13.916 1.00 0.00 C ATOM 1777 CE2 PHE A 114 43.219 -24.114 -11.531 1.00 0.00 C ATOM 1778 CZ PHE A 114 43.704 -24.209 -12.840 1.00 0.00 C ATOM 0 H PHE A 114 37.052 -24.543 -11.826 1.00 0.00 H new ATOM 0 HA PHE A 114 39.046 -25.851 -13.289 1.00 0.00 H new ATOM 0 HB2 PHE A 114 38.973 -23.402 -12.823 1.00 0.00 H new ATOM 0 HB3 PHE A 114 39.253 -23.704 -11.119 1.00 0.00 H new ATOM 0 HD1 PHE A 114 40.740 -24.263 -14.515 1.00 0.00 H new ATOM 0 HD2 PHE A 114 41.464 -24.000 -10.285 1.00 0.00 H new ATOM 0 HE1 PHE A 114 43.185 -24.332 -14.926 1.00 0.00 H new ATOM 0 HE2 PHE A 114 43.909 -24.072 -10.701 1.00 0.00 H new ATOM 0 HZ PHE A 114 44.768 -24.242 -13.020 1.00 0.00 H new ATOM 1788 N SER A 115 39.143 -26.348 -10.036 1.00 0.00 N ATOM 1789 CA SER A 115 39.713 -27.192 -8.992 1.00 0.00 C ATOM 1790 C SER A 115 38.998 -28.533 -8.932 1.00 0.00 C ATOM 1791 O SER A 115 39.488 -29.483 -8.320 1.00 0.00 O ATOM 1792 CB SER A 115 39.603 -26.498 -7.632 1.00 0.00 C ATOM 1793 OG SER A 115 40.368 -25.300 -7.649 1.00 0.00 O ATOM 0 H SER A 115 38.425 -25.701 -9.711 1.00 0.00 H new ATOM 0 HA SER A 115 40.763 -27.361 -9.231 1.00 0.00 H new ATOM 0 HB2 SER A 115 38.560 -26.273 -7.410 1.00 0.00 H new ATOM 0 HB3 SER A 115 39.961 -27.160 -6.844 1.00 0.00 H new ATOM 0 HG SER A 115 40.297 -24.854 -6.779 1.00 0.00 H new ATOM 1799 N THR A 116 37.837 -28.604 -9.575 1.00 0.00 N ATOM 1800 CA THR A 116 37.053 -29.828 -9.597 1.00 0.00 C ATOM 1801 C THR A 116 37.083 -30.523 -8.236 1.00 0.00 C ATOM 1802 O THR A 116 37.869 -31.444 -8.080 1.00 0.00 O ATOM 1803 CB THR A 116 37.604 -30.766 -10.664 1.00 0.00 C ATOM 1804 OG1 THR A 116 37.805 -30.044 -11.872 1.00 0.00 O ATOM 1805 CG2 THR A 116 36.612 -31.898 -10.904 1.00 0.00 C ATOM 1806 OXT THR A 116 36.326 -30.119 -7.369 1.00 0.00 O ATOM 0 H THR A 116 37.420 -27.827 -10.087 1.00 0.00 H new ATOM 0 HA THR A 116 36.019 -29.572 -9.828 1.00 0.00 H new ATOM 0 HB THR A 116 38.554 -31.181 -10.329 1.00 0.00 H new ATOM 0 HG1 THR A 116 37.337 -29.185 -11.821 1.00 0.00 H new ATOM 0 HG21 THR A 116 37.005 -32.570 -11.667 1.00 0.00 H new ATOM 0 HG22 THR A 116 36.460 -32.451 -9.977 1.00 0.00 H new ATOM 0 HG23 THR A 116 35.661 -31.484 -11.240 1.00 0.00 H new