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= -0.175 X(o=-0.17,f=-0.22) USER MOD Single : A 46 MET CE :methyl 154:sc= -0.192 (180deg=-1.21) USER MOD Single : A 49 ASN : amide:sc= -0.0601 X(o=-0.06,f=-0.21) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 THR OG1 : rot -37:sc= 0.0896 USER MOD Single : A 80 SER OG : rot 180:sc= -0.0118 USER MOD Single : A 83 LYS NZ :NH3+ 163:sc= -0.0212 (180deg=-0.418) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 LYS NZ :NH3+ 161:sc= -0.0643 (180deg=-0.459) USER MOD Single : A 95 MET CE :methyl 155:sc= -0.195 (180deg=-1.13) USER MOD Single : A 96 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 103 CYS SG : rot 180:sc= 0 USER MOD Single : A 113 TYR OH : rot 180:sc= 0 USER MOD Single : A 115 SER OG : rot 80:sc= 0.907 USER MOD Single : A 116 THR OG1 : rot -70:sc= 1.2 USER MOD ----------------------------------------------------------------- ATOM 505 N GLN A 38 -25.975 8.822 5.503 1.00 0.00 N ATOM 506 CA GLN A 38 -25.816 10.145 4.912 1.00 0.00 C ATOM 507 C GLN A 38 -24.381 10.634 5.076 1.00 0.00 C ATOM 508 O GLN A 38 -23.812 11.236 4.165 1.00 0.00 O ATOM 509 CB GLN A 38 -26.773 11.134 5.582 1.00 0.00 C ATOM 510 CG GLN A 38 -28.219 10.730 5.289 1.00 0.00 C ATOM 511 CD GLN A 38 -28.516 10.884 3.801 1.00 0.00 C ATOM 512 OE1 GLN A 38 -28.329 11.963 3.239 1.00 0.00 O ATOM 513 NE2 GLN A 38 -28.963 9.863 3.124 1.00 0.00 N ATOM 0 HA GLN A 38 -26.047 10.079 3.849 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -26.600 11.150 6.658 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -26.585 12.143 5.214 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -28.385 9.697 5.596 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -28.902 11.349 5.870 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -29.117 8.969 3.591 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -29.158 9.958 2.127 1.00 0.00 H new ATOM 522 N VAL A 39 -23.801 10.369 6.240 1.00 0.00 N ATOM 523 CA VAL A 39 -22.431 10.788 6.511 1.00 0.00 C ATOM 524 C VAL A 39 -21.465 10.102 5.549 1.00 0.00 C ATOM 525 O VAL A 39 -20.560 10.734 5.007 1.00 0.00 O ATOM 526 CB VAL A 39 -22.054 10.443 7.954 1.00 0.00 C ATOM 527 CG1 VAL A 39 -20.579 10.778 8.194 1.00 0.00 C ATOM 528 CG2 VAL A 39 -22.924 11.256 8.916 1.00 0.00 C ATOM 0 H VAL A 39 -24.253 9.870 7.006 1.00 0.00 H new ATOM 0 HA VAL A 39 -22.363 11.867 6.369 1.00 0.00 H new ATOM 0 HB VAL A 39 -22.216 9.379 8.126 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -20.313 10.532 9.222 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -19.958 10.199 7.510 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -20.415 11.842 8.022 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -22.656 11.011 9.944 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -22.762 12.320 8.742 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -23.974 11.017 8.748 1.00 0.00 H new ATOM 538 N ASP A 40 -21.660 8.805 5.350 1.00 0.00 N ATOM 539 CA ASP A 40 -20.797 8.037 4.460 1.00 0.00 C ATOM 540 C ASP A 40 -20.937 8.548 3.025 1.00 0.00 C ATOM 541 O ASP A 40 -19.972 8.556 2.263 1.00 0.00 O ATOM 542 CB ASP A 40 -21.174 6.548 4.525 1.00 0.00 C ATOM 543 CG ASP A 40 -20.506 5.872 5.725 1.00 0.00 C ATOM 544 OD1 ASP A 40 -19.727 6.526 6.397 1.00 0.00 O ATOM 545 OD2 ASP A 40 -20.800 4.712 5.959 1.00 0.00 O ATOM 0 H ASP A 40 -22.404 8.264 5.790 1.00 0.00 H new ATOM 0 HA ASP A 40 -19.762 8.157 4.778 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -22.257 6.445 4.599 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -20.869 6.050 3.605 1.00 0.00 H new ATOM 550 N GLU A 41 -22.141 8.968 2.666 1.00 0.00 N ATOM 551 CA GLU A 41 -22.391 9.470 1.320 1.00 0.00 C ATOM 552 C GLU A 41 -21.528 10.695 1.036 1.00 0.00 C ATOM 553 O GLU A 41 -21.138 10.939 -0.104 1.00 0.00 O ATOM 554 CB GLU A 41 -23.868 9.836 1.165 1.00 0.00 C ATOM 555 CG GLU A 41 -24.144 10.250 -0.281 1.00 0.00 C ATOM 556 CD GLU A 41 -25.625 10.567 -0.461 1.00 0.00 C ATOM 557 OE1 GLU A 41 -26.309 10.683 0.543 1.00 0.00 O ATOM 558 OE2 GLU A 41 -26.051 10.689 -1.597 1.00 0.00 O ATOM 0 H GLU A 41 -22.955 8.972 3.281 1.00 0.00 H new ATOM 0 HA GLU A 41 -22.135 8.687 0.607 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -24.494 8.986 1.437 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -24.124 10.650 1.843 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -23.543 11.122 -0.539 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -23.850 9.449 -0.959 1.00 0.00 H new ATOM 565 N VAL A 42 -21.237 11.462 2.079 1.00 0.00 N ATOM 566 CA VAL A 42 -20.422 12.661 1.930 1.00 0.00 C ATOM 567 C VAL A 42 -19.012 12.299 1.471 1.00 0.00 C ATOM 568 O VAL A 42 -18.275 13.148 0.971 1.00 0.00 O ATOM 569 CB VAL A 42 -20.349 13.415 3.259 1.00 0.00 C ATOM 570 CG1 VAL A 42 -19.445 14.640 3.103 1.00 0.00 C ATOM 571 CG2 VAL A 42 -21.752 13.865 3.665 1.00 0.00 C ATOM 0 H VAL A 42 -21.551 11.277 3.032 1.00 0.00 H new ATOM 0 HA VAL A 42 -20.885 13.298 1.177 1.00 0.00 H new ATOM 0 HB VAL A 42 -19.940 12.759 4.027 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -19.393 15.177 4.050 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -18.445 14.319 2.813 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -19.852 15.297 2.335 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -21.702 14.403 4.612 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -22.160 14.521 2.896 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -22.396 12.993 3.777 1.00 0.00 H new ATOM 581 N VAL A 43 -18.639 11.035 1.652 1.00 0.00 N ATOM 582 CA VAL A 43 -17.309 10.582 1.258 1.00 0.00 C ATOM 583 C VAL A 43 -17.099 10.763 -0.243 1.00 0.00 C ATOM 584 O VAL A 43 -16.076 11.295 -0.675 1.00 0.00 O ATOM 585 CB VAL A 43 -17.140 9.104 1.617 1.00 0.00 C ATOM 586 CG1 VAL A 43 -15.781 8.605 1.123 1.00 0.00 C ATOM 587 CG2 VAL A 43 -17.224 8.935 3.136 1.00 0.00 C ATOM 0 H VAL A 43 -19.231 10.314 2.064 1.00 0.00 H new ATOM 0 HA VAL A 43 -16.570 11.180 1.791 1.00 0.00 H new ATOM 0 HB VAL A 43 -17.931 8.525 1.141 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -15.664 7.552 1.381 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -15.722 8.723 0.041 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -14.987 9.184 1.595 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -17.104 7.882 3.392 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -16.434 9.517 3.611 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -18.194 9.285 3.488 1.00 0.00 H new ATOM 597 N ASP A 44 -18.073 10.326 -1.034 1.00 0.00 N ATOM 598 CA ASP A 44 -17.979 10.454 -2.484 1.00 0.00 C ATOM 599 C ASP A 44 -18.044 11.922 -2.898 1.00 0.00 C ATOM 600 O ASP A 44 -17.350 12.345 -3.823 1.00 0.00 O ATOM 601 CB ASP A 44 -19.116 9.671 -3.150 1.00 0.00 C ATOM 602 CG ASP A 44 -20.418 9.897 -2.390 1.00 0.00 C ATOM 603 OD1 ASP A 44 -21.091 10.870 -2.683 1.00 0.00 O ATOM 604 OD2 ASP A 44 -20.723 9.092 -1.525 1.00 0.00 O ATOM 0 H ASP A 44 -18.929 9.884 -0.700 1.00 0.00 H new ATOM 0 HA ASP A 44 -17.022 10.045 -2.809 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -19.230 9.989 -4.186 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -18.875 8.608 -3.168 1.00 0.00 H new ATOM 609 N ILE A 45 -18.879 12.691 -2.209 1.00 0.00 N ATOM 610 CA ILE A 45 -19.030 14.109 -2.516 1.00 0.00 C ATOM 611 C ILE A 45 -17.731 14.854 -2.243 1.00 0.00 C ATOM 612 O ILE A 45 -17.302 15.689 -3.041 1.00 0.00 O ATOM 613 CB ILE A 45 -20.160 14.708 -1.677 1.00 0.00 C ATOM 614 CG1 ILE A 45 -21.429 13.862 -1.850 1.00 0.00 C ATOM 615 CG2 ILE A 45 -20.435 16.143 -2.133 1.00 0.00 C ATOM 616 CD1 ILE A 45 -21.800 13.729 -3.336 1.00 0.00 C ATOM 0 H ILE A 45 -19.459 12.359 -1.438 1.00 0.00 H new ATOM 0 HA ILE A 45 -19.276 14.212 -3.573 1.00 0.00 H new ATOM 0 HB ILE A 45 -19.867 14.714 -0.627 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -21.273 12.873 -1.420 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -22.254 14.320 -1.304 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -21.240 16.567 -1.534 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -19.534 16.744 -2.007 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -20.726 16.141 -3.183 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -22.702 13.125 -3.433 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -21.979 14.719 -3.756 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -20.982 13.249 -3.874 1.00 0.00 H new ATOM 628 N MET A 46 -17.111 14.551 -1.112 1.00 0.00 N ATOM 629 CA MET A 46 -15.861 15.202 -0.743 1.00 0.00 C ATOM 630 C MET A 46 -14.779 14.896 -1.773 1.00 0.00 C ATOM 631 O MET A 46 -13.980 15.765 -2.123 1.00 0.00 O ATOM 632 CB MET A 46 -15.410 14.725 0.637 1.00 0.00 C ATOM 633 CG MET A 46 -14.132 15.463 1.042 1.00 0.00 C ATOM 634 SD MET A 46 -13.675 14.989 2.729 1.00 0.00 S ATOM 635 CE MET A 46 -13.297 13.251 2.390 1.00 0.00 C ATOM 0 H MET A 46 -17.449 13.864 -0.438 1.00 0.00 H new ATOM 0 HA MET A 46 -16.026 16.279 -0.714 1.00 0.00 H new ATOM 0 HB2 MET A 46 -16.195 14.907 1.371 1.00 0.00 H new ATOM 0 HB3 MET A 46 -15.232 13.650 0.621 1.00 0.00 H new ATOM 0 HG2 MET A 46 -13.324 15.220 0.352 1.00 0.00 H new ATOM 0 HG3 MET A 46 -14.287 16.540 0.984 1.00 0.00 H new ATOM 0 HE1 MET A 46 -12.583 12.884 3.127 1.00 0.00 H new ATOM 0 HE2 MET A 46 -14.212 12.662 2.447 1.00 0.00 H new ATOM 0 HE3 MET A 46 -12.868 13.160 1.392 1.00 0.00 H new ATOM 645 N ARG A 47 -14.755 13.658 -2.253 1.00 0.00 N ATOM 646 CA ARG A 47 -13.759 13.251 -3.238 1.00 0.00 C ATOM 647 C ARG A 47 -13.862 14.116 -4.489 1.00 0.00 C ATOM 648 O ARG A 47 -12.851 14.551 -5.040 1.00 0.00 O ATOM 649 CB ARG A 47 -13.967 11.781 -3.609 1.00 0.00 C ATOM 650 CG ARG A 47 -12.866 11.335 -4.576 1.00 0.00 C ATOM 651 CD ARG A 47 -13.044 9.853 -4.905 1.00 0.00 C ATOM 652 NE ARG A 47 -12.798 9.041 -3.719 1.00 0.00 N ATOM 653 CZ ARG A 47 -12.894 7.717 -3.761 1.00 0.00 C ATOM 654 NH1 ARG A 47 -13.213 7.121 -4.877 1.00 0.00 N ATOM 655 NH2 ARG A 47 -12.669 7.013 -2.686 1.00 0.00 N ATOM 0 H ARG A 47 -15.408 12.924 -1.979 1.00 0.00 H new ATOM 0 HA ARG A 47 -12.767 13.379 -2.804 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -13.949 11.163 -2.711 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -14.946 11.646 -4.069 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -12.908 11.928 -5.489 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -11.886 11.504 -4.130 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -14.054 9.674 -5.274 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -12.357 9.565 -5.701 1.00 0.00 H new ATOM 0 HE ARG A 47 -12.548 9.498 -2.842 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -13.389 7.672 -5.717 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -13.287 6.104 -4.909 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -12.420 7.479 -1.814 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -12.743 5.996 -2.718 1.00 0.00 H new ATOM 669 N VAL A 48 -15.088 14.361 -4.933 1.00 0.00 N ATOM 670 CA VAL A 48 -15.312 15.172 -6.120 1.00 0.00 C ATOM 671 C VAL A 48 -14.800 16.591 -5.903 1.00 0.00 C ATOM 672 O VAL A 48 -14.169 17.173 -6.786 1.00 0.00 O ATOM 673 CB VAL A 48 -16.806 15.207 -6.461 1.00 0.00 C ATOM 674 CG1 VAL A 48 -17.046 16.164 -7.632 1.00 0.00 C ATOM 675 CG2 VAL A 48 -17.278 13.803 -6.846 1.00 0.00 C ATOM 0 H VAL A 48 -15.938 14.011 -4.491 1.00 0.00 H new ATOM 0 HA VAL A 48 -14.765 14.725 -6.950 1.00 0.00 H new ATOM 0 HB VAL A 48 -17.364 15.552 -5.591 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -18.109 16.186 -7.872 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -16.715 17.165 -7.357 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -16.485 15.822 -8.502 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -18.340 13.830 -7.088 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -16.717 13.456 -7.714 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -17.113 13.122 -6.011 1.00 0.00 H new ATOM 685 N ASN A 49 -15.075 17.143 -4.728 1.00 0.00 N ATOM 686 CA ASN A 49 -14.639 18.497 -4.418 1.00 0.00 C ATOM 687 C ASN A 49 -13.119 18.587 -4.495 1.00 0.00 C ATOM 688 O ASN A 49 -12.569 19.559 -5.013 1.00 0.00 O ATOM 689 CB ASN A 49 -15.113 18.882 -3.010 1.00 0.00 C ATOM 690 CG ASN A 49 -16.604 19.203 -3.032 1.00 0.00 C ATOM 691 OD1 ASN A 49 -17.053 20.021 -3.834 1.00 0.00 O ATOM 692 ND2 ASN A 49 -17.405 18.600 -2.194 1.00 0.00 N ATOM 0 H ASN A 49 -15.593 16.679 -3.981 1.00 0.00 H new ATOM 0 HA ASN A 49 -15.071 19.186 -5.144 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -14.919 18.065 -2.316 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -14.552 19.745 -2.652 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -18.404 18.807 -2.204 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -17.032 17.922 -1.530 1.00 0.00 H new ATOM 699 N VAL A 50 -12.443 17.565 -3.982 1.00 0.00 N ATOM 700 CA VAL A 50 -10.986 17.540 -4.004 1.00 0.00 C ATOM 701 C VAL A 50 -10.473 17.427 -5.431 1.00 0.00 C ATOM 702 O VAL A 50 -9.523 18.106 -5.821 1.00 0.00 O ATOM 703 CB VAL A 50 -10.463 16.368 -3.167 1.00 0.00 C ATOM 704 CG1 VAL A 50 -8.943 16.263 -3.318 1.00 0.00 C ATOM 705 CG2 VAL A 50 -10.812 16.597 -1.693 1.00 0.00 C ATOM 0 H VAL A 50 -12.877 16.749 -3.549 1.00 0.00 H new ATOM 0 HA VAL A 50 -10.621 18.474 -3.576 1.00 0.00 H new ATOM 0 HB VAL A 50 -10.926 15.444 -3.514 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -8.575 15.428 -2.721 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -8.692 16.098 -4.366 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -8.479 17.187 -2.974 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -10.440 15.763 -1.097 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -10.351 17.523 -1.349 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -11.894 16.668 -1.582 1.00 0.00 H new ATOM 715 N ASP A 51 -11.106 16.560 -6.201 1.00 0.00 N ATOM 716 CA ASP A 51 -10.709 16.349 -7.589 1.00 0.00 C ATOM 717 C ASP A 51 -11.014 17.584 -8.428 1.00 0.00 C ATOM 718 O ASP A 51 -10.453 17.770 -9.507 1.00 0.00 O ATOM 719 CB ASP A 51 -11.446 15.138 -8.171 1.00 0.00 C ATOM 720 CG ASP A 51 -10.918 13.852 -7.545 1.00 0.00 C ATOM 721 OD1 ASP A 51 -9.861 13.902 -6.940 1.00 0.00 O ATOM 722 OD2 ASP A 51 -11.578 12.836 -7.682 1.00 0.00 O ATOM 0 H ASP A 51 -11.895 15.991 -5.894 1.00 0.00 H new ATOM 0 HA ASP A 51 -9.635 16.163 -7.613 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -12.516 15.230 -7.984 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -11.313 15.107 -9.252 1.00 0.00 H new ATOM 727 N LYS A 52 -11.903 18.429 -7.923 1.00 0.00 N ATOM 728 CA LYS A 52 -12.274 19.650 -8.626 1.00 0.00 C ATOM 729 C LYS A 52 -11.133 20.658 -8.579 1.00 0.00 C ATOM 730 O LYS A 52 -10.960 21.463 -9.494 1.00 0.00 O ATOM 731 CB LYS A 52 -13.531 20.253 -8.002 1.00 0.00 C ATOM 732 CG LYS A 52 -13.995 21.444 -8.843 1.00 0.00 C ATOM 733 CD LYS A 52 -15.290 22.008 -8.256 1.00 0.00 C ATOM 734 CE LYS A 52 -15.766 23.188 -9.106 1.00 0.00 C ATOM 735 NZ LYS A 52 -17.035 23.727 -8.540 1.00 0.00 N ATOM 0 H LYS A 52 -12.380 18.292 -7.032 1.00 0.00 H new ATOM 0 HA LYS A 52 -12.478 19.403 -9.668 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -14.320 19.502 -7.948 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -13.326 20.573 -6.981 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -13.224 22.214 -8.858 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -14.156 21.133 -9.875 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -16.057 21.234 -8.229 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -15.125 22.330 -7.228 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -15.004 23.967 -9.125 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -15.921 22.869 -10.136 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -17.359 24.529 -9.117 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -17.761 22.982 -8.544 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -16.872 24.046 -7.564 1.00 0.00 H new ATOM 1144 N THR A 79 2.310 6.704 -25.140 1.00 0.00 N ATOM 1145 CA THR A 79 3.274 5.641 -24.878 1.00 0.00 C ATOM 1146 C THR A 79 4.703 6.152 -25.049 1.00 0.00 C ATOM 1147 O THR A 79 5.575 5.865 -24.230 1.00 0.00 O ATOM 1148 CB THR A 79 3.035 4.473 -25.838 1.00 0.00 C ATOM 1149 OG1 THR A 79 3.128 4.936 -27.177 1.00 0.00 O ATOM 1150 CG2 THR A 79 1.644 3.886 -25.595 1.00 0.00 C ATOM 0 HA THR A 79 3.141 5.305 -23.850 1.00 0.00 H new ATOM 0 HB THR A 79 3.787 3.702 -25.666 1.00 0.00 H new ATOM 0 HG1 THR A 79 2.740 5.834 -27.240 1.00 0.00 H new ATOM 0 HG21 THR A 79 1.475 3.055 -26.279 1.00 0.00 H new ATOM 0 HG22 THR A 79 1.574 3.530 -24.567 1.00 0.00 H new ATOM 0 HG23 THR A 79 0.890 4.655 -25.765 1.00 0.00 H new ATOM 1158 N SER A 80 4.931 6.913 -26.114 1.00 0.00 N ATOM 1159 CA SER A 80 6.260 7.456 -26.380 1.00 0.00 C ATOM 1160 C SER A 80 6.689 8.393 -25.255 1.00 0.00 C ATOM 1161 O SER A 80 7.850 8.394 -24.843 1.00 0.00 O ATOM 1162 CB SER A 80 6.258 8.217 -27.707 1.00 0.00 C ATOM 1163 OG SER A 80 5.304 9.269 -27.644 1.00 0.00 O ATOM 0 H SER A 80 4.221 7.166 -26.801 1.00 0.00 H new ATOM 0 HA SER A 80 6.966 6.628 -26.438 1.00 0.00 H new ATOM 0 HB2 SER A 80 7.250 8.622 -27.909 1.00 0.00 H new ATOM 0 HB3 SER A 80 6.017 7.541 -28.527 1.00 0.00 H new ATOM 0 HG SER A 80 5.302 9.760 -28.492 1.00 0.00 H new ATOM 1169 N ALA A 81 5.746 9.190 -24.763 1.00 0.00 N ATOM 1170 CA ALA A 81 6.036 10.130 -23.685 1.00 0.00 C ATOM 1171 C ALA A 81 6.413 9.383 -22.409 1.00 0.00 C ATOM 1172 O ALA A 81 7.270 9.832 -21.648 1.00 0.00 O ATOM 1173 CB ALA A 81 4.819 11.018 -23.422 1.00 0.00 C ATOM 0 H ALA A 81 4.780 9.205 -25.091 1.00 0.00 H new ATOM 0 HA ALA A 81 6.878 10.753 -23.988 1.00 0.00 H new ATOM 0 HB1 ALA A 81 5.045 11.716 -22.616 1.00 0.00 H new ATOM 0 HB2 ALA A 81 4.573 11.575 -24.326 1.00 0.00 H new ATOM 0 HB3 ALA A 81 3.970 10.397 -23.136 1.00 0.00 H new ATOM 1179 N ALA A 82 5.765 8.246 -22.182 1.00 0.00 N ATOM 1180 CA ALA A 82 6.038 7.447 -20.993 1.00 0.00 C ATOM 1181 C ALA A 82 7.491 6.984 -20.983 1.00 0.00 C ATOM 1182 O ALA A 82 8.120 6.906 -19.925 1.00 0.00 O ATOM 1183 CB ALA A 82 5.111 6.229 -20.957 1.00 0.00 C ATOM 0 H ALA A 82 5.052 7.859 -22.800 1.00 0.00 H new ATOM 0 HA ALA A 82 5.859 8.065 -20.113 1.00 0.00 H new ATOM 0 HB1 ALA A 82 5.322 5.638 -20.066 1.00 0.00 H new ATOM 0 HB2 ALA A 82 4.073 6.562 -20.935 1.00 0.00 H new ATOM 0 HB3 ALA A 82 5.277 5.619 -21.845 1.00 0.00 H new ATOM 1189 N LYS A 83 8.019 6.677 -22.163 1.00 0.00 N ATOM 1190 CA LYS A 83 9.398 6.223 -22.273 1.00 0.00 C ATOM 1191 C LYS A 83 10.360 7.309 -21.803 1.00 0.00 C ATOM 1192 O LYS A 83 11.334 7.029 -21.105 1.00 0.00 O ATOM 1193 CB LYS A 83 9.710 5.855 -23.726 1.00 0.00 C ATOM 1194 CG LYS A 83 8.922 4.603 -24.116 1.00 0.00 C ATOM 1195 CD LYS A 83 9.230 4.237 -25.569 1.00 0.00 C ATOM 1196 CE LYS A 83 8.512 2.935 -25.932 1.00 0.00 C ATOM 1197 NZ LYS A 83 7.038 3.138 -25.840 1.00 0.00 N ATOM 0 H LYS A 83 7.517 6.734 -23.049 1.00 0.00 H new ATOM 0 HA LYS A 83 9.524 5.345 -21.640 1.00 0.00 H new ATOM 0 HB2 LYS A 83 9.449 6.682 -24.386 1.00 0.00 H new ATOM 0 HB3 LYS A 83 10.779 5.677 -23.846 1.00 0.00 H new ATOM 0 HG2 LYS A 83 9.185 3.775 -23.458 1.00 0.00 H new ATOM 0 HG3 LYS A 83 7.854 4.780 -23.993 1.00 0.00 H new ATOM 0 HD2 LYS A 83 8.908 5.039 -26.233 1.00 0.00 H new ATOM 0 HD3 LYS A 83 10.305 4.122 -25.706 1.00 0.00 H new ATOM 0 HE2 LYS A 83 8.785 2.626 -26.941 1.00 0.00 H new ATOM 0 HE3 LYS A 83 8.823 2.136 -25.259 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 6.550 2.374 -26.350 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 6.748 3.128 -24.841 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 6.787 4.054 -26.264 1.00 0.00 H new ATOM 1211 N LEU A 84 10.081 8.548 -22.191 1.00 0.00 N ATOM 1212 CA LEU A 84 10.928 9.670 -21.807 1.00 0.00 C ATOM 1213 C LEU A 84 10.925 9.851 -20.296 1.00 0.00 C ATOM 1214 O LEU A 84 11.964 10.103 -19.688 1.00 0.00 O ATOM 1215 CB LEU A 84 10.431 10.952 -22.477 1.00 0.00 C ATOM 1216 CG LEU A 84 10.662 10.867 -23.994 1.00 0.00 C ATOM 1217 CD1 LEU A 84 9.903 12.004 -24.686 1.00 0.00 C ATOM 1218 CD2 LEU A 84 12.167 10.974 -24.324 1.00 0.00 C ATOM 0 H LEU A 84 9.279 8.800 -22.768 1.00 0.00 H new ATOM 0 HA LEU A 84 11.946 9.460 -22.134 1.00 0.00 H new ATOM 0 HB2 LEU A 84 9.371 11.095 -22.268 1.00 0.00 H new ATOM 0 HB3 LEU A 84 10.956 11.815 -22.067 1.00 0.00 H new ATOM 0 HG LEU A 84 10.297 9.904 -24.351 1.00 0.00 H new ATOM 0 HD11 LEU A 84 10.065 11.947 -25.762 1.00 0.00 H new ATOM 0 HD12 LEU A 84 8.838 11.913 -24.474 1.00 0.00 H new ATOM 0 HD13 LEU A 84 10.266 12.962 -24.315 1.00 0.00 H new ATOM 0 HD21 LEU A 84 12.308 10.912 -25.403 1.00 0.00 H new ATOM 0 HD22 LEU A 84 12.552 11.927 -23.962 1.00 0.00 H new ATOM 0 HD23 LEU A 84 12.704 10.159 -23.840 1.00 0.00 H new ATOM 1230 N LYS A 85 9.751 9.720 -19.694 1.00 0.00 N ATOM 1231 CA LYS A 85 9.632 9.874 -18.253 1.00 0.00 C ATOM 1232 C LYS A 85 10.129 8.625 -17.539 1.00 0.00 C ATOM 1233 O LYS A 85 10.421 8.655 -16.346 1.00 0.00 O ATOM 1234 CB LYS A 85 8.173 10.126 -17.878 1.00 0.00 C ATOM 1235 CG LYS A 85 7.726 11.475 -18.445 1.00 0.00 C ATOM 1236 CD LYS A 85 6.302 11.795 -17.968 1.00 0.00 C ATOM 1237 CE LYS A 85 5.290 10.870 -18.655 1.00 0.00 C ATOM 1238 NZ LYS A 85 3.920 11.427 -18.486 1.00 0.00 N ATOM 0 H LYS A 85 8.877 9.510 -20.176 1.00 0.00 H new ATOM 0 HA LYS A 85 10.242 10.723 -17.945 1.00 0.00 H new ATOM 0 HB2 LYS A 85 7.543 9.328 -18.270 1.00 0.00 H new ATOM 0 HB3 LYS A 85 8.059 10.119 -16.794 1.00 0.00 H new ATOM 0 HG2 LYS A 85 8.411 12.259 -18.124 1.00 0.00 H new ATOM 0 HG3 LYS A 85 7.757 11.450 -19.534 1.00 0.00 H new ATOM 0 HD2 LYS A 85 6.238 11.676 -16.886 1.00 0.00 H new ATOM 0 HD3 LYS A 85 6.062 12.835 -18.189 1.00 0.00 H new ATOM 0 HE2 LYS A 85 5.528 10.775 -19.714 1.00 0.00 H new ATOM 0 HE3 LYS A 85 5.344 9.870 -18.225 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 3.231 10.802 -18.951 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 3.696 11.496 -17.473 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 3.874 12.373 -18.916 1.00 0.00 H new ATOM 1252 N ARG A 86 10.216 7.526 -18.277 1.00 0.00 N ATOM 1253 CA ARG A 86 10.672 6.272 -17.695 1.00 0.00 C ATOM 1254 C ARG A 86 12.095 6.407 -17.170 1.00 0.00 C ATOM 1255 O ARG A 86 12.401 5.999 -16.054 1.00 0.00 O ATOM 1256 CB ARG A 86 10.621 5.162 -18.748 1.00 0.00 C ATOM 1257 CG ARG A 86 10.775 3.783 -18.077 1.00 0.00 C ATOM 1258 CD ARG A 86 9.403 3.258 -17.641 1.00 0.00 C ATOM 1259 NE ARG A 86 9.543 1.950 -17.013 1.00 0.00 N ATOM 1260 CZ ARG A 86 9.530 0.835 -17.737 1.00 0.00 C ATOM 1261 NH1 ARG A 86 9.397 0.899 -19.034 1.00 0.00 N ATOM 1262 NH2 ARG A 86 9.650 -0.324 -17.154 1.00 0.00 N ATOM 0 H ARG A 86 9.980 7.477 -19.268 1.00 0.00 H new ATOM 0 HA ARG A 86 10.014 6.020 -16.863 1.00 0.00 H new ATOM 0 HB2 ARG A 86 9.676 5.208 -19.289 1.00 0.00 H new ATOM 0 HB3 ARG A 86 11.415 5.309 -19.480 1.00 0.00 H new ATOM 0 HG2 ARG A 86 11.239 3.081 -18.770 1.00 0.00 H new ATOM 0 HG3 ARG A 86 11.435 3.861 -17.213 1.00 0.00 H new ATOM 0 HD2 ARG A 86 8.942 3.957 -16.943 1.00 0.00 H new ATOM 0 HD3 ARG A 86 8.741 3.187 -18.504 1.00 0.00 H new ATOM 0 HE ARG A 86 9.653 1.889 -16.001 1.00 0.00 H new ATOM 0 HH11 ARG A 86 9.303 1.805 -19.493 1.00 0.00 H new ATOM 0 HH12 ARG A 86 9.387 0.043 -19.589 1.00 0.00 H new ATOM 0 HH21 ARG A 86 9.754 -0.377 -16.141 1.00 0.00 H new ATOM 0 HH22 ARG A 86 9.640 -1.178 -17.711 1.00 0.00 H new ATOM 1403 N LEU A 93 21.084 1.984 -11.604 1.00 0.00 N ATOM 1404 CA LEU A 93 22.121 1.016 -11.287 1.00 0.00 C ATOM 1405 C LEU A 93 21.583 -0.058 -10.350 1.00 0.00 C ATOM 1406 O LEU A 93 22.289 -1.003 -10.002 1.00 0.00 O ATOM 1407 CB LEU A 93 23.300 1.735 -10.626 1.00 0.00 C ATOM 1408 CG LEU A 93 22.849 2.388 -9.286 1.00 0.00 C ATOM 1409 CD1 LEU A 93 23.296 1.530 -8.095 1.00 0.00 C ATOM 1410 CD2 LEU A 93 23.465 3.789 -9.151 1.00 0.00 C ATOM 0 HA LEU A 93 22.451 0.537 -12.209 1.00 0.00 H new ATOM 0 HB2 LEU A 93 24.109 1.028 -10.440 1.00 0.00 H new ATOM 0 HB3 LEU A 93 23.692 2.499 -11.297 1.00 0.00 H new ATOM 0 HG LEU A 93 21.762 2.462 -9.290 1.00 0.00 H new ATOM 0 HD11 LEU A 93 22.973 2.000 -7.166 1.00 0.00 H new ATOM 0 HD12 LEU A 93 22.851 0.538 -8.174 1.00 0.00 H new ATOM 0 HD13 LEU A 93 24.382 1.441 -8.098 1.00 0.00 H new ATOM 0 HD21 LEU A 93 23.144 4.238 -8.211 1.00 0.00 H new ATOM 0 HD22 LEU A 93 24.552 3.711 -9.164 1.00 0.00 H new ATOM 0 HD23 LEU A 93 23.136 4.413 -9.982 1.00 0.00 H new ATOM 1422 N LYS A 94 20.328 0.094 -9.941 1.00 0.00 N ATOM 1423 CA LYS A 94 19.710 -0.874 -9.042 1.00 0.00 C ATOM 1424 C LYS A 94 19.641 -2.247 -9.706 1.00 0.00 C ATOM 1425 O LYS A 94 19.920 -3.266 -9.078 1.00 0.00 O ATOM 1426 CB LYS A 94 18.300 -0.414 -8.669 1.00 0.00 C ATOM 1427 CG LYS A 94 18.385 0.842 -7.800 1.00 0.00 C ATOM 1428 CD LYS A 94 16.974 1.300 -7.425 1.00 0.00 C ATOM 1429 CE LYS A 94 17.061 2.522 -6.509 1.00 0.00 C ATOM 1430 NZ LYS A 94 17.691 3.652 -7.250 1.00 0.00 N ATOM 0 H LYS A 94 19.724 0.869 -10.214 1.00 0.00 H new ATOM 0 HA LYS A 94 20.317 -0.947 -8.140 1.00 0.00 H new ATOM 0 HB2 LYS A 94 17.723 -0.207 -9.571 1.00 0.00 H new ATOM 0 HB3 LYS A 94 17.778 -1.206 -8.132 1.00 0.00 H new ATOM 0 HG2 LYS A 94 18.963 0.635 -6.899 1.00 0.00 H new ATOM 0 HG3 LYS A 94 18.905 1.635 -8.338 1.00 0.00 H new ATOM 0 HD2 LYS A 94 16.409 1.546 -8.324 1.00 0.00 H new ATOM 0 HD3 LYS A 94 16.440 0.493 -6.923 1.00 0.00 H new ATOM 0 HE2 LYS A 94 16.066 2.806 -6.168 1.00 0.00 H new ATOM 0 HE3 LYS A 94 17.646 2.284 -5.621 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 17.468 4.548 -6.772 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 18.722 3.520 -7.274 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 17.323 3.678 -8.222 1.00 0.00 H new ATOM 1444 N MET A 95 19.270 -2.263 -10.982 1.00 0.00 N ATOM 1445 CA MET A 95 19.168 -3.513 -11.726 1.00 0.00 C ATOM 1446 C MET A 95 20.530 -4.183 -11.845 1.00 0.00 C ATOM 1447 O MET A 95 20.634 -5.409 -11.837 1.00 0.00 O ATOM 1448 CB MET A 95 18.604 -3.247 -13.121 1.00 0.00 C ATOM 1449 CG MET A 95 17.137 -2.823 -13.008 1.00 0.00 C ATOM 1450 SD MET A 95 16.509 -2.385 -14.648 1.00 0.00 S ATOM 1451 CE MET A 95 16.614 -4.032 -15.390 1.00 0.00 C ATOM 0 H MET A 95 19.036 -1.429 -11.520 1.00 0.00 H new ATOM 0 HA MET A 95 18.497 -4.179 -11.184 1.00 0.00 H new ATOM 0 HB2 MET A 95 19.182 -2.466 -13.615 1.00 0.00 H new ATOM 0 HB3 MET A 95 18.688 -4.143 -13.736 1.00 0.00 H new ATOM 0 HG2 MET A 95 16.544 -3.634 -12.584 1.00 0.00 H new ATOM 0 HG3 MET A 95 17.044 -1.973 -12.332 1.00 0.00 H new ATOM 0 HE1 MET A 95 15.897 -4.109 -16.208 1.00 0.00 H new ATOM 0 HE2 MET A 95 17.621 -4.195 -15.774 1.00 0.00 H new ATOM 0 HE3 MET A 95 16.387 -4.786 -14.636 1.00 0.00 H new ATOM 1461 N MET A 96 21.574 -3.371 -11.955 1.00 0.00 N ATOM 1462 CA MET A 96 22.928 -3.893 -12.077 1.00 0.00 C ATOM 1463 C MET A 96 23.310 -4.692 -10.835 1.00 0.00 C ATOM 1464 O MET A 96 24.017 -5.695 -10.926 1.00 0.00 O ATOM 1465 CB MET A 96 23.921 -2.747 -12.270 1.00 0.00 C ATOM 1466 CG MET A 96 23.690 -2.092 -13.632 1.00 0.00 C ATOM 1467 SD MET A 96 24.837 -0.706 -13.843 1.00 0.00 S ATOM 1468 CE MET A 96 26.222 -1.655 -14.520 1.00 0.00 C ATOM 0 H MET A 96 21.509 -2.353 -11.962 1.00 0.00 H new ATOM 0 HA MET A 96 22.961 -4.551 -12.946 1.00 0.00 H new ATOM 0 HB2 MET A 96 23.800 -2.010 -11.476 1.00 0.00 H new ATOM 0 HB3 MET A 96 24.942 -3.122 -12.204 1.00 0.00 H new ATOM 0 HG2 MET A 96 23.837 -2.823 -14.428 1.00 0.00 H new ATOM 0 HG3 MET A 96 22.661 -1.740 -13.708 1.00 0.00 H new ATOM 0 HE1 MET A 96 27.056 -0.984 -14.728 1.00 0.00 H new ATOM 0 HE2 MET A 96 26.534 -2.409 -13.797 1.00 0.00 H new ATOM 0 HE3 MET A 96 25.911 -2.144 -15.443 1.00 0.00 H new ATOM 1478 N ILE A 97 22.844 -4.241 -9.675 1.00 0.00 N ATOM 1479 CA ILE A 97 23.156 -4.926 -8.426 1.00 0.00 C ATOM 1480 C ILE A 97 22.598 -6.346 -8.445 1.00 0.00 C ATOM 1481 O ILE A 97 23.285 -7.297 -8.078 1.00 0.00 O ATOM 1482 CB ILE A 97 22.547 -4.155 -7.251 1.00 0.00 C ATOM 1483 CG1 ILE A 97 23.245 -2.800 -7.115 1.00 0.00 C ATOM 1484 CG2 ILE A 97 22.732 -4.955 -5.957 1.00 0.00 C ATOM 1485 CD1 ILE A 97 22.484 -1.924 -6.117 1.00 0.00 C ATOM 0 H ILE A 97 22.256 -3.414 -9.574 1.00 0.00 H new ATOM 0 HA ILE A 97 24.239 -4.973 -8.313 1.00 0.00 H new ATOM 0 HB ILE A 97 21.483 -4.002 -7.432 1.00 0.00 H new ATOM 0 HG12 ILE A 97 24.272 -2.942 -6.779 1.00 0.00 H new ATOM 0 HG13 ILE A 97 23.292 -2.306 -8.085 1.00 0.00 H new ATOM 0 HG21 ILE A 97 22.298 -4.404 -5.123 1.00 0.00 H new ATOM 0 HG22 ILE A 97 22.235 -5.920 -6.052 1.00 0.00 H new ATOM 0 HG23 ILE A 97 23.795 -5.111 -5.774 1.00 0.00 H new ATOM 0 HD11 ILE A 97 22.985 -0.960 -6.023 1.00 0.00 H new ATOM 0 HD12 ILE A 97 21.465 -1.771 -6.471 1.00 0.00 H new ATOM 0 HD13 ILE A 97 22.460 -2.416 -5.145 1.00 0.00 H new ATOM 1497 N ILE A 98 21.351 -6.483 -8.881 1.00 0.00 N ATOM 1498 CA ILE A 98 20.721 -7.798 -8.944 1.00 0.00 C ATOM 1499 C ILE A 98 21.433 -8.667 -9.976 1.00 0.00 C ATOM 1500 O ILE A 98 21.699 -9.845 -9.735 1.00 0.00 O ATOM 1501 CB ILE A 98 19.231 -7.651 -9.308 1.00 0.00 C ATOM 1502 CG1 ILE A 98 18.434 -7.247 -8.058 1.00 0.00 C ATOM 1503 CG2 ILE A 98 18.678 -8.981 -9.848 1.00 0.00 C ATOM 1504 CD1 ILE A 98 19.070 -6.009 -7.420 1.00 0.00 C ATOM 0 H ILE A 98 20.762 -5.711 -9.193 1.00 0.00 H new ATOM 0 HA ILE A 98 20.798 -8.277 -7.968 1.00 0.00 H new ATOM 0 HB ILE A 98 19.133 -6.884 -10.077 1.00 0.00 H new ATOM 0 HG12 ILE A 98 17.398 -7.038 -8.327 1.00 0.00 H new ATOM 0 HG13 ILE A 98 18.418 -8.070 -7.343 1.00 0.00 H new ATOM 0 HG21 ILE A 98 17.624 -8.861 -10.101 1.00 0.00 H new ATOM 0 HG22 ILE A 98 19.234 -9.271 -10.739 1.00 0.00 H new ATOM 0 HG23 ILE A 98 18.783 -9.754 -9.087 1.00 0.00 H new ATOM 0 HD11 ILE A 98 18.503 -5.724 -6.534 1.00 0.00 H new ATOM 0 HD12 ILE A 98 20.098 -6.233 -7.136 1.00 0.00 H new ATOM 0 HD13 ILE A 98 19.062 -5.186 -8.135 1.00 0.00 H new ATOM 1516 N LEU A 99 21.721 -8.083 -11.128 1.00 0.00 N ATOM 1517 CA LEU A 99 22.380 -8.820 -12.192 1.00 0.00 C ATOM 1518 C LEU A 99 23.749 -9.302 -11.738 1.00 0.00 C ATOM 1519 O LEU A 99 24.153 -10.426 -12.034 1.00 0.00 O ATOM 1520 CB LEU A 99 22.528 -7.936 -13.436 1.00 0.00 C ATOM 1521 CG LEU A 99 23.210 -8.724 -14.567 1.00 0.00 C ATOM 1522 CD1 LEU A 99 22.374 -9.966 -14.931 1.00 0.00 C ATOM 1523 CD2 LEU A 99 23.360 -7.818 -15.796 1.00 0.00 C ATOM 0 H LEU A 99 21.511 -7.110 -11.348 1.00 0.00 H new ATOM 0 HA LEU A 99 21.767 -9.686 -12.440 1.00 0.00 H new ATOM 0 HB2 LEU A 99 21.548 -7.589 -13.764 1.00 0.00 H new ATOM 0 HB3 LEU A 99 23.115 -7.050 -13.194 1.00 0.00 H new ATOM 0 HG LEU A 99 24.194 -9.053 -14.233 1.00 0.00 H new ATOM 0 HD11 LEU A 99 22.868 -10.515 -15.733 1.00 0.00 H new ATOM 0 HD12 LEU A 99 22.278 -10.609 -14.056 1.00 0.00 H new ATOM 0 HD13 LEU A 99 21.383 -9.654 -15.262 1.00 0.00 H new ATOM 0 HD21 LEU A 99 23.843 -8.373 -16.600 1.00 0.00 H new ATOM 0 HD22 LEU A 99 22.376 -7.485 -16.125 1.00 0.00 H new ATOM 0 HD23 LEU A 99 23.968 -6.951 -15.537 1.00 0.00 H new ATOM 1535 N GLY A 100 24.463 -8.441 -11.025 1.00 0.00 N ATOM 1536 CA GLY A 100 25.793 -8.783 -10.544 1.00 0.00 C ATOM 1537 C GLY A 100 25.756 -10.050 -9.702 1.00 0.00 C ATOM 1538 O GLY A 100 26.664 -10.879 -9.770 1.00 0.00 O ATOM 0 H GLY A 100 24.145 -7.506 -10.769 1.00 0.00 H new ATOM 0 HA2 GLY A 100 26.465 -8.923 -11.390 1.00 0.00 H new ATOM 0 HA3 GLY A 100 26.193 -7.960 -9.952 1.00 0.00 H new ATOM 1542 N VAL A 101 24.700 -10.198 -8.910 1.00 0.00 N ATOM 1543 CA VAL A 101 24.563 -11.373 -8.060 1.00 0.00 C ATOM 1544 C VAL A 101 24.508 -12.641 -8.909 1.00 0.00 C ATOM 1545 O VAL A 101 25.162 -13.637 -8.598 1.00 0.00 O ATOM 1546 CB VAL A 101 23.285 -11.260 -7.220 1.00 0.00 C ATOM 1547 CG1 VAL A 101 23.062 -12.558 -6.438 1.00 0.00 C ATOM 1548 CG2 VAL A 101 23.424 -10.094 -6.238 1.00 0.00 C ATOM 0 H VAL A 101 23.935 -9.527 -8.839 1.00 0.00 H new ATOM 0 HA VAL A 101 25.428 -11.429 -7.400 1.00 0.00 H new ATOM 0 HB VAL A 101 22.435 -11.086 -7.880 1.00 0.00 H new ATOM 0 HG11 VAL A 101 22.153 -12.473 -5.843 1.00 0.00 H new ATOM 0 HG12 VAL A 101 22.963 -13.390 -7.135 1.00 0.00 H new ATOM 0 HG13 VAL A 101 23.912 -12.736 -5.779 1.00 0.00 H new ATOM 0 HG21 VAL A 101 22.516 -10.012 -5.640 1.00 0.00 H new ATOM 0 HG22 VAL A 101 24.276 -10.271 -5.582 1.00 0.00 H new ATOM 0 HG23 VAL A 101 23.578 -9.168 -6.792 1.00 0.00 H new ATOM 1558 N ILE A 102 23.718 -12.603 -9.976 1.00 0.00 N ATOM 1559 CA ILE A 102 23.572 -13.762 -10.852 1.00 0.00 C ATOM 1560 C ILE A 102 24.894 -14.085 -11.531 1.00 0.00 C ATOM 1561 O ILE A 102 25.308 -15.242 -11.613 1.00 0.00 O ATOM 1562 CB ILE A 102 22.502 -13.475 -11.912 1.00 0.00 C ATOM 1563 CG1 ILE A 102 21.250 -12.894 -11.240 1.00 0.00 C ATOM 1564 CG2 ILE A 102 22.128 -14.782 -12.616 1.00 0.00 C ATOM 1565 CD1 ILE A 102 20.861 -13.743 -10.033 1.00 0.00 C ATOM 0 H ILE A 102 23.171 -11.788 -10.255 1.00 0.00 H new ATOM 0 HA ILE A 102 23.269 -14.620 -10.252 1.00 0.00 H new ATOM 0 HB ILE A 102 22.893 -12.759 -12.635 1.00 0.00 H new ATOM 0 HG12 ILE A 102 21.439 -11.867 -10.926 1.00 0.00 H new ATOM 0 HG13 ILE A 102 20.426 -12.863 -11.953 1.00 0.00 H new ATOM 0 HG21 ILE A 102 21.367 -14.584 -13.371 1.00 0.00 H new ATOM 0 HG22 ILE A 102 23.012 -15.204 -13.094 1.00 0.00 H new ATOM 0 HG23 ILE A 102 21.738 -15.490 -11.885 1.00 0.00 H new ATOM 0 HD11 ILE A 102 19.972 -13.322 -9.564 1.00 0.00 H new ATOM 0 HD12 ILE A 102 20.652 -14.762 -10.357 1.00 0.00 H new ATOM 0 HD13 ILE A 102 21.681 -13.752 -9.315 1.00 0.00 H new ATOM 1577 N CYS A 103 25.544 -13.047 -12.011 1.00 0.00 N ATOM 1578 CA CYS A 103 26.831 -13.210 -12.691 1.00 0.00 C ATOM 1579 C CYS A 103 27.880 -13.755 -11.730 1.00 0.00 C ATOM 1580 O CYS A 103 28.718 -14.573 -12.109 1.00 0.00 O ATOM 1581 CB CYS A 103 27.311 -11.873 -13.264 1.00 0.00 C ATOM 1582 SG CYS A 103 26.165 -11.330 -14.551 1.00 0.00 S ATOM 0 H CYS A 103 25.214 -12.084 -11.949 1.00 0.00 H new ATOM 0 HA CYS A 103 26.692 -13.919 -13.507 1.00 0.00 H new ATOM 0 HB2 CYS A 103 27.369 -11.125 -12.473 1.00 0.00 H new ATOM 0 HB3 CYS A 103 28.315 -11.980 -13.676 1.00 0.00 H new ATOM 0 HG CYS A 103 26.567 -10.194 -15.039 1.00 0.00 H new ATOM 1588 N ALA A 104 27.828 -13.297 -10.484 1.00 0.00 N ATOM 1589 CA ALA A 104 28.778 -13.742 -9.474 1.00 0.00 C ATOM 1590 C ALA A 104 28.694 -15.253 -9.294 1.00 0.00 C ATOM 1591 O ALA A 104 29.704 -15.919 -9.058 1.00 0.00 O ATOM 1592 CB ALA A 104 28.483 -13.051 -8.141 1.00 0.00 C ATOM 0 H ALA A 104 27.141 -12.621 -10.151 1.00 0.00 H new ATOM 0 HA ALA A 104 29.783 -13.480 -9.804 1.00 0.00 H new ATOM 0 HB1 ALA A 104 29.197 -13.389 -7.390 1.00 0.00 H new ATOM 0 HB2 ALA A 104 28.569 -11.971 -8.264 1.00 0.00 H new ATOM 0 HB3 ALA A 104 27.472 -13.300 -7.818 1.00 0.00 H new ATOM 1598 N ILE A 105 27.484 -15.789 -9.401 1.00 0.00 N ATOM 1599 CA ILE A 105 27.283 -17.224 -9.242 1.00 0.00 C ATOM 1600 C ILE A 105 28.019 -17.992 -10.338 1.00 0.00 C ATOM 1601 O ILE A 105 28.663 -19.007 -10.073 1.00 0.00 O ATOM 1602 CB ILE A 105 25.786 -17.555 -9.294 1.00 0.00 C ATOM 1603 CG1 ILE A 105 25.096 -16.966 -8.060 1.00 0.00 C ATOM 1604 CG2 ILE A 105 25.595 -19.077 -9.303 1.00 0.00 C ATOM 1605 CD1 ILE A 105 23.578 -17.077 -8.220 1.00 0.00 C ATOM 0 H ILE A 105 26.635 -15.258 -9.595 1.00 0.00 H new ATOM 0 HA ILE A 105 27.684 -17.523 -8.273 1.00 0.00 H new ATOM 0 HB ILE A 105 25.351 -17.130 -10.199 1.00 0.00 H new ATOM 0 HG12 ILE A 105 25.417 -17.496 -7.163 1.00 0.00 H new ATOM 0 HG13 ILE A 105 25.383 -15.922 -7.933 1.00 0.00 H new ATOM 0 HG21 ILE A 105 24.531 -19.310 -9.340 1.00 0.00 H new ATOM 0 HG22 ILE A 105 26.090 -19.501 -10.177 1.00 0.00 H new ATOM 0 HG23 ILE A 105 26.029 -19.503 -8.398 1.00 0.00 H new ATOM 0 HD11 ILE A 105 23.088 -16.658 -7.341 1.00 0.00 H new ATOM 0 HD12 ILE A 105 23.265 -16.527 -9.107 1.00 0.00 H new ATOM 0 HD13 ILE A 105 23.299 -18.125 -8.325 1.00 0.00 H new ATOM 1617 N ILE A 106 27.919 -17.499 -11.566 1.00 0.00 N ATOM 1618 CA ILE A 106 28.568 -18.151 -12.699 1.00 0.00 C ATOM 1619 C ILE A 106 30.056 -18.328 -12.422 1.00 0.00 C ATOM 1620 O ILE A 106 30.656 -19.344 -12.788 1.00 0.00 O ATOM 1621 CB ILE A 106 28.371 -17.315 -13.965 1.00 0.00 C ATOM 1622 CG1 ILE A 106 26.883 -16.974 -14.128 1.00 0.00 C ATOM 1623 CG2 ILE A 106 28.849 -18.108 -15.185 1.00 0.00 C ATOM 1624 CD1 ILE A 106 26.026 -18.248 -14.084 1.00 0.00 C ATOM 0 H ILE A 106 27.398 -16.655 -11.803 1.00 0.00 H new ATOM 0 HA ILE A 106 28.117 -19.133 -12.845 1.00 0.00 H new ATOM 0 HB ILE A 106 28.949 -16.394 -13.883 1.00 0.00 H new ATOM 0 HG12 ILE A 106 26.572 -16.293 -13.336 1.00 0.00 H new ATOM 0 HG13 ILE A 106 26.725 -16.456 -15.074 1.00 0.00 H new ATOM 0 HG21 ILE A 106 28.708 -17.510 -16.086 1.00 0.00 H new ATOM 0 HG22 ILE A 106 29.906 -18.348 -15.071 1.00 0.00 H new ATOM 0 HG23 ILE A 106 28.274 -19.030 -15.268 1.00 0.00 H new ATOM 0 HD11 ILE A 106 24.975 -17.984 -14.201 1.00 0.00 H new ATOM 0 HD12 ILE A 106 26.325 -18.916 -14.892 1.00 0.00 H new ATOM 0 HD13 ILE A 106 26.169 -18.750 -13.127 1.00 0.00 H new ATOM 1636 N LEU A 107 30.650 -17.341 -11.769 1.00 0.00 N ATOM 1637 CA LEU A 107 32.068 -17.401 -11.448 1.00 0.00 C ATOM 1638 C LEU A 107 32.360 -18.585 -10.535 1.00 0.00 C ATOM 1639 O LEU A 107 33.363 -19.277 -10.705 1.00 0.00 O ATOM 1640 CB LEU A 107 32.501 -16.108 -10.758 1.00 0.00 C ATOM 1641 CG LEU A 107 32.088 -14.905 -11.615 1.00 0.00 C ATOM 1642 CD1 LEU A 107 32.485 -13.610 -10.900 1.00 0.00 C ATOM 1643 CD2 LEU A 107 32.785 -14.975 -12.985 1.00 0.00 C ATOM 0 H LEU A 107 30.177 -16.495 -11.453 1.00 0.00 H new ATOM 0 HA LEU A 107 32.626 -17.524 -12.376 1.00 0.00 H new ATOM 0 HB2 LEU A 107 32.043 -16.039 -9.771 1.00 0.00 H new ATOM 0 HB3 LEU A 107 33.581 -16.107 -10.609 1.00 0.00 H new ATOM 0 HG LEU A 107 31.008 -14.922 -11.764 1.00 0.00 H new ATOM 0 HD11 LEU A 107 32.192 -12.754 -11.508 1.00 0.00 H new ATOM 0 HD12 LEU A 107 31.982 -13.558 -9.935 1.00 0.00 H new ATOM 0 HD13 LEU A 107 33.564 -13.595 -10.748 1.00 0.00 H new ATOM 0 HD21 LEU A 107 32.487 -14.118 -13.589 1.00 0.00 H new ATOM 0 HD22 LEU A 107 33.866 -14.962 -12.844 1.00 0.00 H new ATOM 0 HD23 LEU A 107 32.496 -15.895 -13.494 1.00 0.00 H new ATOM 1655 N ILE A 108 31.476 -18.820 -9.570 1.00 0.00 N ATOM 1656 CA ILE A 108 31.657 -19.926 -8.637 1.00 0.00 C ATOM 1657 C ILE A 108 31.931 -21.222 -9.391 1.00 0.00 C ATOM 1658 O ILE A 108 32.774 -22.021 -8.983 1.00 0.00 O ATOM 1659 CB ILE A 108 30.409 -20.091 -7.768 1.00 0.00 C ATOM 1660 CG1 ILE A 108 30.114 -18.771 -7.048 1.00 0.00 C ATOM 1661 CG2 ILE A 108 30.641 -21.199 -6.737 1.00 0.00 C ATOM 1662 CD1 ILE A 108 28.796 -18.889 -6.280 1.00 0.00 C ATOM 0 H ILE A 108 30.635 -18.265 -9.415 1.00 0.00 H new ATOM 0 HA ILE A 108 32.512 -19.701 -8.000 1.00 0.00 H new ATOM 0 HB ILE A 108 29.561 -20.360 -8.398 1.00 0.00 H new ATOM 0 HG12 ILE A 108 30.926 -18.530 -6.362 1.00 0.00 H new ATOM 0 HG13 ILE A 108 30.054 -17.957 -7.770 1.00 0.00 H new ATOM 0 HG21 ILE A 108 29.750 -21.314 -6.120 1.00 0.00 H new ATOM 0 HG22 ILE A 108 30.849 -22.137 -7.252 1.00 0.00 H new ATOM 0 HG23 ILE A 108 31.489 -20.936 -6.105 1.00 0.00 H new ATOM 0 HD11 ILE A 108 28.588 -17.949 -5.768 1.00 0.00 H new ATOM 0 HD12 ILE A 108 27.987 -19.110 -6.977 1.00 0.00 H new ATOM 0 HD13 ILE A 108 28.873 -19.692 -5.547 1.00 0.00 H new ATOM 1674 N ILE A 109 31.219 -21.422 -10.489 1.00 0.00 N ATOM 1675 CA ILE A 109 31.402 -22.629 -11.293 1.00 0.00 C ATOM 1676 C ILE A 109 32.824 -22.696 -11.839 1.00 0.00 C ATOM 1677 O ILE A 109 33.448 -23.757 -11.841 1.00 0.00 O ATOM 1678 CB ILE A 109 30.402 -22.649 -12.457 1.00 0.00 C ATOM 1679 CG1 ILE A 109 28.988 -22.905 -11.914 1.00 0.00 C ATOM 1680 CG2 ILE A 109 30.772 -23.753 -13.457 1.00 0.00 C ATOM 1681 CD1 ILE A 109 28.532 -21.732 -11.046 1.00 0.00 C ATOM 0 H ILE A 109 30.516 -20.774 -10.844 1.00 0.00 H new ATOM 0 HA ILE A 109 31.226 -23.495 -10.655 1.00 0.00 H new ATOM 0 HB ILE A 109 30.433 -21.685 -12.965 1.00 0.00 H new ATOM 0 HG12 ILE A 109 28.293 -23.045 -12.742 1.00 0.00 H new ATOM 0 HG13 ILE A 109 28.977 -23.825 -11.329 1.00 0.00 H new ATOM 0 HG21 ILE A 109 30.055 -23.756 -14.278 1.00 0.00 H new ATOM 0 HG22 ILE A 109 31.772 -23.568 -13.850 1.00 0.00 H new ATOM 0 HG23 ILE A 109 30.753 -24.720 -12.955 1.00 0.00 H new ATOM 0 HD11 ILE A 109 27.528 -21.927 -10.668 1.00 0.00 H new ATOM 0 HD12 ILE A 109 29.218 -21.611 -10.208 1.00 0.00 H new ATOM 0 HD13 ILE A 109 28.524 -20.820 -11.642 1.00 0.00 H new ATOM 1693 N ILE A 110 33.326 -21.564 -12.312 1.00 0.00 N ATOM 1694 CA ILE A 110 34.670 -21.524 -12.869 1.00 0.00 C ATOM 1695 C ILE A 110 35.701 -21.900 -11.808 1.00 0.00 C ATOM 1696 O ILE A 110 36.629 -22.664 -12.073 1.00 0.00 O ATOM 1697 CB ILE A 110 34.969 -20.118 -13.399 1.00 0.00 C ATOM 1698 CG1 ILE A 110 34.070 -19.832 -14.606 1.00 0.00 C ATOM 1699 CG2 ILE A 110 36.439 -20.027 -13.824 1.00 0.00 C ATOM 1700 CD1 ILE A 110 34.190 -18.358 -15.005 1.00 0.00 C ATOM 0 H ILE A 110 32.831 -20.672 -12.322 1.00 0.00 H new ATOM 0 HA ILE A 110 34.729 -22.243 -13.686 1.00 0.00 H new ATOM 0 HB ILE A 110 34.776 -19.386 -12.615 1.00 0.00 H new ATOM 0 HG12 ILE A 110 34.356 -20.469 -15.443 1.00 0.00 H new ATOM 0 HG13 ILE A 110 33.034 -20.069 -14.364 1.00 0.00 H new ATOM 0 HG21 ILE A 110 36.648 -19.026 -14.200 1.00 0.00 H new ATOM 0 HG22 ILE A 110 37.079 -20.233 -12.966 1.00 0.00 H new ATOM 0 HG23 ILE A 110 36.637 -20.758 -14.608 1.00 0.00 H new ATOM 0 HD11 ILE A 110 33.549 -18.160 -15.864 1.00 0.00 H new ATOM 0 HD12 ILE A 110 33.882 -17.729 -14.170 1.00 0.00 H new ATOM 0 HD13 ILE A 110 35.225 -18.135 -15.266 1.00 0.00 H new ATOM 1712 N ILE A 111 35.536 -21.359 -10.610 1.00 0.00 N ATOM 1713 CA ILE A 111 36.466 -21.644 -9.525 1.00 0.00 C ATOM 1714 C ILE A 111 36.408 -23.126 -9.153 1.00 0.00 C ATOM 1715 O ILE A 111 37.440 -23.769 -8.966 1.00 0.00 O ATOM 1716 CB ILE A 111 36.120 -20.774 -8.296 1.00 0.00 C ATOM 1717 CG1 ILE A 111 36.649 -19.333 -8.485 1.00 0.00 C ATOM 1718 CG2 ILE A 111 36.738 -21.381 -7.024 1.00 0.00 C ATOM 1719 CD1 ILE A 111 35.694 -18.540 -9.379 1.00 0.00 C ATOM 0 H ILE A 111 34.775 -20.726 -10.365 1.00 0.00 H new ATOM 0 HA ILE A 111 37.477 -21.407 -9.856 1.00 0.00 H new ATOM 0 HB ILE A 111 35.035 -20.745 -8.194 1.00 0.00 H new ATOM 0 HG12 ILE A 111 36.746 -18.842 -7.517 1.00 0.00 H new ATOM 0 HG13 ILE A 111 37.643 -19.357 -8.931 1.00 0.00 H new ATOM 0 HG21 ILE A 111 36.487 -20.759 -6.165 1.00 0.00 H new ATOM 0 HG22 ILE A 111 36.344 -22.386 -6.872 1.00 0.00 H new ATOM 0 HG23 ILE A 111 37.821 -21.429 -7.133 1.00 0.00 H new ATOM 0 HD11 ILE A 111 36.073 -17.526 -9.507 1.00 0.00 H new ATOM 0 HD12 ILE A 111 35.619 -19.025 -10.352 1.00 0.00 H new ATOM 0 HD13 ILE A 111 34.708 -18.503 -8.915 1.00 0.00 H new ATOM 1731 N VAL A 112 35.198 -23.655 -9.037 1.00 0.00 N ATOM 1732 CA VAL A 112 35.029 -25.048 -8.674 1.00 0.00 C ATOM 1733 C VAL A 112 35.591 -25.948 -9.763 1.00 0.00 C ATOM 1734 O VAL A 112 36.294 -26.918 -9.482 1.00 0.00 O ATOM 1735 CB VAL A 112 33.544 -25.347 -8.451 1.00 0.00 C ATOM 1736 CG1 VAL A 112 33.347 -26.851 -8.248 1.00 0.00 C ATOM 1737 CG2 VAL A 112 33.054 -24.599 -7.207 1.00 0.00 C ATOM 0 H VAL A 112 34.329 -23.143 -9.188 1.00 0.00 H new ATOM 0 HA VAL A 112 35.573 -25.244 -7.750 1.00 0.00 H new ATOM 0 HB VAL A 112 32.976 -25.021 -9.322 1.00 0.00 H new ATOM 0 HG11 VAL A 112 32.289 -27.061 -8.089 1.00 0.00 H new ATOM 0 HG12 VAL A 112 33.695 -27.386 -9.132 1.00 0.00 H new ATOM 0 HG13 VAL A 112 33.916 -27.178 -7.378 1.00 0.00 H new ATOM 0 HG21 VAL A 112 31.997 -24.811 -7.048 1.00 0.00 H new ATOM 0 HG22 VAL A 112 33.625 -24.926 -6.338 1.00 0.00 H new ATOM 0 HG23 VAL A 112 33.191 -23.527 -7.349 1.00 0.00 H new ATOM 1747 N TYR A 113 35.273 -25.617 -11.005 1.00 0.00 N ATOM 1748 CA TYR A 113 35.744 -26.406 -12.133 1.00 0.00 C ATOM 1749 C TYR A 113 37.259 -26.316 -12.258 1.00 0.00 C ATOM 1750 O TYR A 113 37.928 -27.298 -12.578 1.00 0.00 O ATOM 1751 CB TYR A 113 35.071 -25.925 -13.435 1.00 0.00 C ATOM 1752 CG TYR A 113 33.730 -26.609 -13.613 1.00 0.00 C ATOM 1753 CD1 TYR A 113 32.788 -26.586 -12.576 1.00 0.00 C ATOM 1754 CD2 TYR A 113 33.433 -27.274 -14.811 1.00 0.00 C ATOM 1755 CE1 TYR A 113 31.553 -27.223 -12.738 1.00 0.00 C ATOM 1756 CE2 TYR A 113 32.199 -27.911 -14.971 1.00 0.00 C ATOM 1757 CZ TYR A 113 31.259 -27.886 -13.934 1.00 0.00 C ATOM 1758 OH TYR A 113 30.042 -28.514 -14.093 1.00 0.00 O ATOM 0 H TYR A 113 34.696 -24.815 -11.256 1.00 0.00 H new ATOM 0 HA TYR A 113 35.476 -27.448 -11.961 1.00 0.00 H new ATOM 0 HB2 TYR A 113 34.935 -24.844 -13.405 1.00 0.00 H new ATOM 0 HB3 TYR A 113 35.714 -26.142 -14.288 1.00 0.00 H new ATOM 0 HD1 TYR A 113 33.015 -26.076 -11.651 1.00 0.00 H new ATOM 0 HD2 TYR A 113 34.158 -27.294 -15.611 1.00 0.00 H new ATOM 0 HE1 TYR A 113 30.826 -27.203 -11.939 1.00 0.00 H new ATOM 0 HE2 TYR A 113 31.971 -28.422 -15.895 1.00 0.00 H new ATOM 0 HH TYR A 113 29.999 -28.925 -14.982 1.00 0.00 H new ATOM 1768 N PHE A 114 37.784 -25.132 -12.010 1.00 0.00 N ATOM 1769 CA PHE A 114 39.219 -24.912 -12.105 1.00 0.00 C ATOM 1770 C PHE A 114 39.964 -25.810 -11.131 1.00 0.00 C ATOM 1771 O PHE A 114 40.965 -26.436 -11.482 1.00 0.00 O ATOM 1772 CB PHE A 114 39.546 -23.445 -11.811 1.00 0.00 C ATOM 1773 CG PHE A 114 41.035 -23.227 -11.948 1.00 0.00 C ATOM 1774 CD1 PHE A 114 41.619 -23.158 -13.219 1.00 0.00 C ATOM 1775 CD2 PHE A 114 41.832 -23.093 -10.803 1.00 0.00 C ATOM 1776 CE1 PHE A 114 42.999 -22.955 -13.345 1.00 0.00 C ATOM 1777 CE2 PHE A 114 43.212 -22.890 -10.931 1.00 0.00 C ATOM 1778 CZ PHE A 114 43.795 -22.821 -12.201 1.00 0.00 C ATOM 0 H PHE A 114 37.244 -24.309 -11.742 1.00 0.00 H new ATOM 0 HA PHE A 114 39.538 -25.156 -13.118 1.00 0.00 H new ATOM 0 HB2 PHE A 114 39.007 -22.795 -12.501 1.00 0.00 H new ATOM 0 HB3 PHE A 114 39.220 -23.183 -10.805 1.00 0.00 H new ATOM 0 HD1 PHE A 114 41.005 -23.261 -14.102 1.00 0.00 H new ATOM 0 HD2 PHE A 114 41.382 -23.146 -9.822 1.00 0.00 H new ATOM 0 HE1 PHE A 114 43.449 -22.902 -14.325 1.00 0.00 H new ATOM 0 HE2 PHE A 114 43.826 -22.787 -10.049 1.00 0.00 H new ATOM 0 HZ PHE A 114 44.859 -22.664 -12.299 1.00 0.00 H new ATOM 1788 N SER A 115 39.465 -25.866 -9.908 1.00 0.00 N ATOM 1789 CA SER A 115 40.083 -26.685 -8.877 1.00 0.00 C ATOM 1790 C SER A 115 39.914 -28.161 -9.183 1.00 0.00 C ATOM 1791 O SER A 115 40.625 -28.999 -8.631 1.00 0.00 O ATOM 1792 CB SER A 115 39.477 -26.379 -7.509 1.00 0.00 C ATOM 1793 OG SER A 115 39.410 -24.974 -7.332 1.00 0.00 O ATOM 0 H SER A 115 38.636 -25.356 -9.604 1.00 0.00 H new ATOM 0 HA SER A 115 41.146 -26.446 -8.860 1.00 0.00 H new ATOM 0 HB2 SER A 115 38.481 -26.815 -7.434 1.00 0.00 H new ATOM 0 HB3 SER A 115 40.082 -26.828 -6.721 1.00 0.00 H new ATOM 0 HG SER A 115 38.628 -24.622 -7.805 1.00 0.00 H new ATOM 1799 N THR A 116 38.961 -28.471 -10.066 1.00 0.00 N ATOM 1800 CA THR A 116 38.684 -29.858 -10.456 1.00 0.00 C ATOM 1801 C THR A 116 38.948 -30.825 -9.302 1.00 0.00 C ATOM 1802 O THR A 116 38.540 -30.518 -8.194 1.00 0.00 O ATOM 1803 CB THR A 116 39.546 -30.246 -11.663 1.00 0.00 C ATOM 1804 OG1 THR A 116 39.370 -31.627 -11.941 1.00 0.00 O ATOM 1805 CG2 THR A 116 41.019 -29.969 -11.359 1.00 0.00 C ATOM 1806 OXT THR A 116 39.569 -31.848 -9.540 1.00 0.00 O ATOM 0 H THR A 116 38.367 -27.780 -10.525 1.00 0.00 H new ATOM 0 HA THR A 116 37.629 -29.926 -10.723 1.00 0.00 H new ATOM 0 HB THR A 116 39.243 -29.656 -12.528 1.00 0.00 H new ATOM 0 HG1 THR A 116 39.788 -32.159 -11.232 1.00 0.00 H new ATOM 0 HG21 THR A 116 41.627 -30.247 -12.220 1.00 0.00 H new ATOM 0 HG22 THR A 116 41.154 -28.908 -11.147 1.00 0.00 H new ATOM 0 HG23 THR A 116 41.328 -30.554 -10.493 1.00 0.00 H new