USER MOD reduce.3.24.130724 H: found=0, std=0, add=416, rem=0, adj=11 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= -0.0107 K(o=-0.011,f=-1.6!) USER MOD Single : A 46 MET CE :methyl -159:sc= -0.0372 (180deg=-0.462) USER MOD Single : A 49 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 52 LYS NZ :NH3+ 134:sc= -0.0905 (180deg=-0.734) USER MOD Single : A 79 THR OG1 : rot -32:sc= 0.214 USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 83 LYS NZ :NH3+ 166:sc= 0 (180deg=-0.1) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 LYS NZ :NH3+ -162:sc= -0.0545 (180deg=-0.525) USER MOD Single : A 95 MET CE :methyl -156:sc= -0.0893 (180deg=-0.711) USER MOD Single : A 96 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 103 CYS SG : rot 82:sc= 0.0353 USER MOD Single : A 113 TYR OH : rot 180:sc= 0 USER MOD Single : A 115 SER OG : rot -23:sc= 0.46 USER MOD Single : A 116 THR OG1 : rot -67:sc= 1.16 USER MOD ----------------------------------------------------------------- ATOM 505 N GLN A 38 -13.082 -44.242 -1.797 1.00 0.00 N ATOM 506 CA GLN A 38 -11.659 -43.968 -1.631 1.00 0.00 C ATOM 507 C GLN A 38 -11.292 -42.640 -2.287 1.00 0.00 C ATOM 508 O GLN A 38 -10.528 -41.852 -1.730 1.00 0.00 O ATOM 509 CB GLN A 38 -10.836 -45.092 -2.263 1.00 0.00 C ATOM 510 CG GLN A 38 -9.355 -44.885 -1.942 1.00 0.00 C ATOM 511 CD GLN A 38 -8.542 -46.074 -2.444 1.00 0.00 C ATOM 512 OE1 GLN A 38 -9.095 -47.145 -2.692 1.00 0.00 O ATOM 513 NE2 GLN A 38 -7.253 -45.949 -2.607 1.00 0.00 N ATOM 0 HA GLN A 38 -11.439 -43.910 -0.565 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -11.169 -46.058 -1.884 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -10.986 -45.104 -3.342 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -8.998 -43.967 -2.408 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -9.220 -44.770 -0.867 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -6.797 -45.060 -2.401 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -6.702 -46.740 -2.941 1.00 0.00 H new ATOM 522 N VAL A 39 -11.843 -42.398 -3.473 1.00 0.00 N ATOM 523 CA VAL A 39 -11.566 -41.159 -4.193 1.00 0.00 C ATOM 524 C VAL A 39 -12.084 -39.958 -3.408 1.00 0.00 C ATOM 525 O VAL A 39 -11.393 -38.949 -3.268 1.00 0.00 O ATOM 526 CB VAL A 39 -12.230 -41.198 -5.571 1.00 0.00 C ATOM 527 CG1 VAL A 39 -12.026 -39.855 -6.279 1.00 0.00 C ATOM 528 CG2 VAL A 39 -11.603 -42.314 -6.409 1.00 0.00 C ATOM 0 H VAL A 39 -12.478 -43.037 -3.952 1.00 0.00 H new ATOM 0 HA VAL A 39 -10.487 -41.061 -4.313 1.00 0.00 H new ATOM 0 HB VAL A 39 -13.297 -41.387 -5.452 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -12.500 -39.885 -7.260 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -12.473 -39.059 -5.684 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -10.959 -39.664 -6.397 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -12.076 -42.342 -7.391 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -10.536 -42.126 -6.526 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -11.750 -43.271 -5.908 1.00 0.00 H new ATOM 538 N ASP A 40 -13.305 -40.075 -2.898 1.00 0.00 N ATOM 539 CA ASP A 40 -13.911 -38.994 -2.127 1.00 0.00 C ATOM 540 C ASP A 40 -13.136 -38.755 -0.836 1.00 0.00 C ATOM 541 O ASP A 40 -13.009 -37.621 -0.376 1.00 0.00 O ATOM 542 CB ASP A 40 -15.365 -39.336 -1.797 1.00 0.00 C ATOM 543 CG ASP A 40 -16.103 -38.084 -1.335 1.00 0.00 C ATOM 544 OD1 ASP A 40 -15.880 -37.038 -1.923 1.00 0.00 O ATOM 545 OD2 ASP A 40 -16.882 -38.189 -0.401 1.00 0.00 O ATOM 0 H ASP A 40 -13.892 -40.902 -3.003 1.00 0.00 H new ATOM 0 HA ASP A 40 -13.881 -38.085 -2.728 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -15.857 -39.755 -2.675 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -15.400 -40.097 -1.018 1.00 0.00 H new ATOM 550 N GLU A 41 -12.622 -39.833 -0.253 1.00 0.00 N ATOM 551 CA GLU A 41 -11.865 -39.731 0.990 1.00 0.00 C ATOM 552 C GLU A 41 -10.676 -38.794 0.813 1.00 0.00 C ATOM 553 O GLU A 41 -10.290 -38.084 1.742 1.00 0.00 O ATOM 554 CB GLU A 41 -11.369 -41.116 1.414 1.00 0.00 C ATOM 555 CG GLU A 41 -10.686 -41.020 2.781 1.00 0.00 C ATOM 556 CD GLU A 41 -10.233 -42.402 3.236 1.00 0.00 C ATOM 557 OE1 GLU A 41 -10.673 -43.374 2.644 1.00 0.00 O ATOM 558 OE2 GLU A 41 -9.449 -42.468 4.169 1.00 0.00 O ATOM 0 H GLU A 41 -12.715 -40.781 -0.618 1.00 0.00 H new ATOM 0 HA GLU A 41 -12.520 -39.329 1.763 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -12.205 -41.814 1.462 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -10.670 -41.506 0.674 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -9.829 -40.349 2.722 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -11.374 -40.595 3.512 1.00 0.00 H new ATOM 565 N VAL A 42 -10.100 -38.794 -0.382 1.00 0.00 N ATOM 566 CA VAL A 42 -8.955 -37.939 -0.670 1.00 0.00 C ATOM 567 C VAL A 42 -9.347 -36.470 -0.571 1.00 0.00 C ATOM 568 O VAL A 42 -8.613 -35.656 -0.010 1.00 0.00 O ATOM 569 CB VAL A 42 -8.415 -38.236 -2.071 1.00 0.00 C ATOM 570 CG1 VAL A 42 -7.279 -37.265 -2.403 1.00 0.00 C ATOM 571 CG2 VAL A 42 -7.889 -39.673 -2.121 1.00 0.00 C ATOM 0 H VAL A 42 -10.405 -39.373 -1.164 1.00 0.00 H new ATOM 0 HA VAL A 42 -8.178 -38.146 0.066 1.00 0.00 H new ATOM 0 HB VAL A 42 -9.217 -38.115 -2.799 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -6.897 -37.479 -3.401 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -7.654 -36.242 -2.370 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -6.476 -37.381 -1.675 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -7.504 -39.885 -3.119 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -7.089 -39.793 -1.390 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -8.699 -40.365 -1.890 1.00 0.00 H new ATOM 581 N VAL A 43 -10.508 -36.135 -1.120 1.00 0.00 N ATOM 582 CA VAL A 43 -10.986 -34.759 -1.091 1.00 0.00 C ATOM 583 C VAL A 43 -11.144 -34.283 0.350 1.00 0.00 C ATOM 584 O VAL A 43 -10.759 -33.164 0.689 1.00 0.00 O ATOM 585 CB VAL A 43 -12.328 -34.655 -1.819 1.00 0.00 C ATOM 586 CG1 VAL A 43 -12.876 -33.232 -1.687 1.00 0.00 C ATOM 587 CG2 VAL A 43 -12.133 -34.991 -3.299 1.00 0.00 C ATOM 0 H VAL A 43 -11.132 -36.792 -1.588 1.00 0.00 H new ATOM 0 HA VAL A 43 -10.255 -34.126 -1.594 1.00 0.00 H new ATOM 0 HB VAL A 43 -13.035 -35.357 -1.376 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -13.832 -33.161 -2.206 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -13.017 -32.993 -0.633 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -12.170 -32.528 -2.128 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -13.089 -34.917 -3.818 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -11.425 -34.290 -3.741 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -11.746 -36.006 -3.394 1.00 0.00 H new ATOM 597 N ASP A 44 -11.710 -35.140 1.191 1.00 0.00 N ATOM 598 CA ASP A 44 -11.910 -34.795 2.592 1.00 0.00 C ATOM 599 C ASP A 44 -10.571 -34.528 3.273 1.00 0.00 C ATOM 600 O ASP A 44 -10.442 -33.588 4.057 1.00 0.00 O ATOM 601 CB ASP A 44 -12.630 -35.937 3.312 1.00 0.00 C ATOM 602 CG ASP A 44 -14.089 -35.998 2.874 1.00 0.00 C ATOM 603 OD1 ASP A 44 -14.563 -35.018 2.321 1.00 0.00 O ATOM 604 OD2 ASP A 44 -14.710 -37.024 3.093 1.00 0.00 O ATOM 0 H ASP A 44 -12.036 -36.071 0.930 1.00 0.00 H new ATOM 0 HA ASP A 44 -12.518 -33.892 2.642 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -12.137 -36.884 3.092 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -12.572 -35.791 4.391 1.00 0.00 H new ATOM 609 N ILE A 45 -9.574 -35.359 2.971 1.00 0.00 N ATOM 610 CA ILE A 45 -8.255 -35.191 3.570 1.00 0.00 C ATOM 611 C ILE A 45 -7.635 -33.863 3.138 1.00 0.00 C ATOM 612 O ILE A 45 -7.063 -33.139 3.953 1.00 0.00 O ATOM 613 CB ILE A 45 -7.344 -36.349 3.148 1.00 0.00 C ATOM 614 CG1 ILE A 45 -7.847 -37.646 3.787 1.00 0.00 C ATOM 615 CG2 ILE A 45 -5.909 -36.075 3.611 1.00 0.00 C ATOM 616 CD1 ILE A 45 -7.123 -38.838 3.159 1.00 0.00 C ATOM 0 H ILE A 45 -9.654 -36.144 2.324 1.00 0.00 H new ATOM 0 HA ILE A 45 -8.362 -35.189 4.655 1.00 0.00 H new ATOM 0 HB ILE A 45 -7.359 -36.444 2.062 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -7.672 -37.626 4.863 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -8.923 -37.742 3.641 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -5.265 -36.901 3.309 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -5.551 -35.151 3.158 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -5.889 -35.978 4.696 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -7.481 -39.762 3.614 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -7.321 -38.861 2.087 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -6.050 -38.742 3.328 1.00 0.00 H new ATOM 628 N MET A 46 -7.751 -33.557 1.853 1.00 0.00 N ATOM 629 CA MET A 46 -7.198 -32.319 1.319 1.00 0.00 C ATOM 630 C MET A 46 -7.921 -31.111 1.902 1.00 0.00 C ATOM 631 O MET A 46 -7.306 -30.084 2.186 1.00 0.00 O ATOM 632 CB MET A 46 -7.326 -32.310 -0.206 1.00 0.00 C ATOM 633 CG MET A 46 -6.451 -33.418 -0.802 1.00 0.00 C ATOM 634 SD MET A 46 -4.698 -33.032 -0.528 1.00 0.00 S ATOM 635 CE MET A 46 -4.511 -31.716 -1.766 1.00 0.00 C ATOM 0 H MET A 46 -8.220 -34.145 1.164 1.00 0.00 H new ATOM 0 HA MET A 46 -6.146 -32.262 1.597 1.00 0.00 H new ATOM 0 HB2 MET A 46 -8.366 -32.460 -0.495 1.00 0.00 H new ATOM 0 HB3 MET A 46 -7.022 -31.341 -0.601 1.00 0.00 H new ATOM 0 HG2 MET A 46 -6.698 -34.375 -0.343 1.00 0.00 H new ATOM 0 HG3 MET A 46 -6.649 -33.516 -1.869 1.00 0.00 H new ATOM 0 HE1 MET A 46 -3.457 -31.603 -2.020 1.00 0.00 H new ATOM 0 HE2 MET A 46 -5.075 -31.976 -2.662 1.00 0.00 H new ATOM 0 HE3 MET A 46 -4.889 -30.778 -1.360 1.00 0.00 H new ATOM 645 N ARG A 47 -9.231 -31.240 2.075 1.00 0.00 N ATOM 646 CA ARG A 47 -10.029 -30.150 2.620 1.00 0.00 C ATOM 647 C ARG A 47 -9.547 -29.787 4.021 1.00 0.00 C ATOM 648 O ARG A 47 -9.435 -28.609 4.362 1.00 0.00 O ATOM 649 CB ARG A 47 -11.504 -30.559 2.669 1.00 0.00 C ATOM 650 CG ARG A 47 -12.349 -29.374 3.144 1.00 0.00 C ATOM 651 CD ARG A 47 -13.825 -29.772 3.164 1.00 0.00 C ATOM 652 NE ARG A 47 -14.058 -30.792 4.179 1.00 0.00 N ATOM 653 CZ ARG A 47 -15.261 -31.329 4.348 1.00 0.00 C ATOM 654 NH1 ARG A 47 -16.259 -30.943 3.602 1.00 0.00 N ATOM 655 NH2 ARG A 47 -15.445 -32.242 5.261 1.00 0.00 N ATOM 0 H ARG A 47 -9.760 -32.082 1.848 1.00 0.00 H new ATOM 0 HA ARG A 47 -9.918 -29.279 1.974 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -11.835 -30.883 1.682 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -11.635 -31.406 3.343 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -12.032 -29.064 4.140 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -12.201 -28.520 2.482 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -14.442 -28.897 3.369 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -14.121 -30.149 2.185 1.00 0.00 H new ATOM 0 HE ARG A 47 -13.285 -31.098 4.769 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -16.116 -30.228 2.888 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -17.183 -31.356 3.732 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -14.665 -32.544 5.845 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -16.369 -32.654 5.391 1.00 0.00 H new ATOM 669 N VAL A 48 -9.270 -30.803 4.829 1.00 0.00 N ATOM 670 CA VAL A 48 -8.808 -30.579 6.192 1.00 0.00 C ATOM 671 C VAL A 48 -7.477 -29.834 6.188 1.00 0.00 C ATOM 672 O VAL A 48 -7.273 -28.906 6.971 1.00 0.00 O ATOM 673 CB VAL A 48 -8.648 -31.918 6.919 1.00 0.00 C ATOM 674 CG1 VAL A 48 -8.018 -31.689 8.296 1.00 0.00 C ATOM 675 CG2 VAL A 48 -10.021 -32.574 7.095 1.00 0.00 C ATOM 0 H VAL A 48 -9.357 -31.785 4.566 1.00 0.00 H new ATOM 0 HA VAL A 48 -9.549 -29.973 6.713 1.00 0.00 H new ATOM 0 HB VAL A 48 -8.003 -32.569 6.329 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -7.907 -32.644 8.809 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -7.039 -31.225 8.176 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -8.660 -31.034 8.885 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -9.906 -33.526 7.612 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -10.665 -31.918 7.681 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -10.471 -32.745 6.117 1.00 0.00 H new ATOM 685 N ASN A 49 -6.574 -30.249 5.309 1.00 0.00 N ATOM 686 CA ASN A 49 -5.267 -29.614 5.221 1.00 0.00 C ATOM 687 C ASN A 49 -5.423 -28.131 4.901 1.00 0.00 C ATOM 688 O ASN A 49 -4.716 -27.291 5.453 1.00 0.00 O ATOM 689 CB ASN A 49 -4.433 -30.291 4.131 1.00 0.00 C ATOM 690 CG ASN A 49 -3.084 -29.592 3.996 1.00 0.00 C ATOM 691 OD1 ASN A 49 -2.862 -28.849 3.041 1.00 0.00 O ATOM 692 ND2 ASN A 49 -2.166 -29.788 4.902 1.00 0.00 N ATOM 0 H ASN A 49 -6.721 -31.016 4.653 1.00 0.00 H new ATOM 0 HA ASN A 49 -4.760 -29.718 6.180 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -4.284 -31.343 4.376 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -4.966 -30.258 3.181 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -1.261 -29.325 4.820 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -2.353 -30.405 5.693 1.00 0.00 H new ATOM 699 N VAL A 50 -6.355 -27.820 4.010 1.00 0.00 N ATOM 700 CA VAL A 50 -6.601 -26.435 3.629 1.00 0.00 C ATOM 701 C VAL A 50 -7.154 -25.642 4.803 1.00 0.00 C ATOM 702 O VAL A 50 -6.770 -24.497 5.031 1.00 0.00 O ATOM 703 CB VAL A 50 -7.576 -26.372 2.448 1.00 0.00 C ATOM 704 CG1 VAL A 50 -7.931 -24.912 2.152 1.00 0.00 C ATOM 705 CG2 VAL A 50 -6.916 -26.994 1.216 1.00 0.00 C ATOM 0 H VAL A 50 -6.950 -28.503 3.540 1.00 0.00 H new ATOM 0 HA VAL A 50 -5.652 -25.992 3.329 1.00 0.00 H new ATOM 0 HB VAL A 50 -8.484 -26.921 2.696 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -8.624 -24.869 1.312 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -8.397 -24.466 3.030 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -7.024 -24.360 1.903 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -7.606 -26.952 0.373 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -6.009 -26.441 0.971 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -6.662 -28.033 1.425 1.00 0.00 H new ATOM 715 N ASP A 51 -8.065 -26.260 5.533 1.00 0.00 N ATOM 716 CA ASP A 51 -8.693 -25.609 6.681 1.00 0.00 C ATOM 717 C ASP A 51 -7.644 -25.190 7.708 1.00 0.00 C ATOM 718 O ASP A 51 -7.948 -24.480 8.666 1.00 0.00 O ATOM 719 CB ASP A 51 -9.698 -26.556 7.341 1.00 0.00 C ATOM 720 CG ASP A 51 -10.922 -26.724 6.446 1.00 0.00 C ATOM 721 OD1 ASP A 51 -11.056 -25.954 5.509 1.00 0.00 O ATOM 722 OD2 ASP A 51 -11.706 -27.622 6.709 1.00 0.00 O ATOM 0 H ASP A 51 -8.390 -27.211 5.356 1.00 0.00 H new ATOM 0 HA ASP A 51 -9.211 -24.720 6.322 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -9.233 -27.525 7.521 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -9.998 -26.162 8.312 1.00 0.00 H new ATOM 727 N LYS A 52 -6.414 -25.635 7.499 1.00 0.00 N ATOM 728 CA LYS A 52 -5.323 -25.308 8.404 1.00 0.00 C ATOM 729 C LYS A 52 -5.077 -23.807 8.416 1.00 0.00 C ATOM 730 O LYS A 52 -4.653 -23.245 9.426 1.00 0.00 O ATOM 731 CB LYS A 52 -4.050 -26.037 7.964 1.00 0.00 C ATOM 732 CG LYS A 52 -4.260 -27.560 8.025 1.00 0.00 C ATOM 733 CD LYS A 52 -4.084 -28.067 9.463 1.00 0.00 C ATOM 734 CE LYS A 52 -4.218 -29.590 9.483 1.00 0.00 C ATOM 735 NZ LYS A 52 -3.126 -30.191 8.669 1.00 0.00 N ATOM 0 H LYS A 52 -6.147 -26.224 6.710 1.00 0.00 H new ATOM 0 HA LYS A 52 -5.594 -25.627 9.410 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -3.785 -25.740 6.949 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -3.218 -25.751 8.608 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -5.257 -27.811 7.664 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -3.548 -28.058 7.367 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -3.108 -27.771 9.848 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -4.833 -27.616 10.114 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -4.168 -29.958 10.508 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -5.189 -29.886 9.086 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -2.699 -30.982 9.191 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -3.515 -30.540 7.770 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -2.400 -29.471 8.476 1.00 0.00 H new ATOM 1144 N THR A 79 7.884 4.702 7.392 1.00 0.00 N ATOM 1145 CA THR A 79 7.562 5.539 6.243 1.00 0.00 C ATOM 1146 C THR A 79 8.801 6.287 5.760 1.00 0.00 C ATOM 1147 O THR A 79 9.017 6.438 4.557 1.00 0.00 O ATOM 1148 CB THR A 79 6.474 6.547 6.621 1.00 0.00 C ATOM 1149 OG1 THR A 79 6.856 7.232 7.805 1.00 0.00 O ATOM 1150 CG2 THR A 79 5.154 5.811 6.858 1.00 0.00 C ATOM 0 HA THR A 79 7.202 4.897 5.439 1.00 0.00 H new ATOM 0 HB THR A 79 6.346 7.265 5.811 1.00 0.00 H new ATOM 0 HG1 THR A 79 7.384 6.633 8.373 1.00 0.00 H new ATOM 0 HG21 THR A 79 4.380 6.530 7.127 1.00 0.00 H new ATOM 0 HG22 THR A 79 4.862 5.286 5.948 1.00 0.00 H new ATOM 0 HG23 THR A 79 5.279 5.092 7.668 1.00 0.00 H new ATOM 1158 N SER A 80 9.613 6.753 6.704 1.00 0.00 N ATOM 1159 CA SER A 80 10.827 7.483 6.359 1.00 0.00 C ATOM 1160 C SER A 80 11.767 6.606 5.537 1.00 0.00 C ATOM 1161 O SER A 80 12.358 7.061 4.558 1.00 0.00 O ATOM 1162 CB SER A 80 11.537 7.943 7.633 1.00 0.00 C ATOM 1163 OG SER A 80 10.692 8.834 8.347 1.00 0.00 O ATOM 0 H SER A 80 9.454 6.639 7.705 1.00 0.00 H new ATOM 0 HA SER A 80 10.549 8.352 5.763 1.00 0.00 H new ATOM 0 HB2 SER A 80 11.786 7.083 8.255 1.00 0.00 H new ATOM 0 HB3 SER A 80 12.476 8.437 7.382 1.00 0.00 H new ATOM 0 HG SER A 80 11.144 9.129 9.165 1.00 0.00 H new ATOM 1169 N ALA A 81 11.899 5.348 5.943 1.00 0.00 N ATOM 1170 CA ALA A 81 12.769 4.413 5.238 1.00 0.00 C ATOM 1171 C ALA A 81 12.278 4.192 3.812 1.00 0.00 C ATOM 1172 O ALA A 81 13.059 3.854 2.921 1.00 0.00 O ATOM 1173 CB ALA A 81 12.811 3.075 5.979 1.00 0.00 C ATOM 0 H ALA A 81 11.418 4.954 6.751 1.00 0.00 H new ATOM 0 HA ALA A 81 13.772 4.839 5.202 1.00 0.00 H new ATOM 0 HB1 ALA A 81 13.463 2.384 5.445 1.00 0.00 H new ATOM 0 HB2 ALA A 81 13.194 3.230 6.988 1.00 0.00 H new ATOM 0 HB3 ALA A 81 11.806 2.657 6.033 1.00 0.00 H new ATOM 1179 N ALA A 82 10.981 4.386 3.602 1.00 0.00 N ATOM 1180 CA ALA A 82 10.398 4.203 2.280 1.00 0.00 C ATOM 1181 C ALA A 82 11.038 5.158 1.281 1.00 0.00 C ATOM 1182 O ALA A 82 11.222 4.817 0.113 1.00 0.00 O ATOM 1183 CB ALA A 82 8.888 4.455 2.333 1.00 0.00 C ATOM 0 H ALA A 82 10.318 4.668 4.324 1.00 0.00 H new ATOM 0 HA ALA A 82 10.583 3.178 1.960 1.00 0.00 H new ATOM 0 HB1 ALA A 82 8.461 4.316 1.340 1.00 0.00 H new ATOM 0 HB2 ALA A 82 8.426 3.754 3.028 1.00 0.00 H new ATOM 0 HB3 ALA A 82 8.701 5.475 2.669 1.00 0.00 H new ATOM 1189 N LYS A 83 11.370 6.355 1.745 1.00 0.00 N ATOM 1190 CA LYS A 83 11.981 7.345 0.873 1.00 0.00 C ATOM 1191 C LYS A 83 13.309 6.828 0.329 1.00 0.00 C ATOM 1192 O LYS A 83 13.580 6.926 -0.867 1.00 0.00 O ATOM 1193 CB LYS A 83 12.213 8.649 1.645 1.00 0.00 C ATOM 1194 CG LYS A 83 12.783 9.738 0.721 1.00 0.00 C ATOM 1195 CD LYS A 83 11.745 10.130 -0.340 1.00 0.00 C ATOM 1196 CE LYS A 83 12.102 11.492 -0.933 1.00 0.00 C ATOM 1197 NZ LYS A 83 13.411 11.391 -1.636 1.00 0.00 N ATOM 0 H LYS A 83 11.228 6.660 2.708 1.00 0.00 H new ATOM 0 HA LYS A 83 11.308 7.534 0.037 1.00 0.00 H new ATOM 0 HB2 LYS A 83 11.274 8.991 2.081 1.00 0.00 H new ATOM 0 HB3 LYS A 83 12.901 8.470 2.471 1.00 0.00 H new ATOM 0 HG2 LYS A 83 13.062 10.613 1.308 1.00 0.00 H new ATOM 0 HG3 LYS A 83 13.690 9.376 0.237 1.00 0.00 H new ATOM 0 HD2 LYS A 83 11.714 9.377 -1.127 1.00 0.00 H new ATOM 0 HD3 LYS A 83 10.751 10.166 0.106 1.00 0.00 H new ATOM 0 HE2 LYS A 83 11.326 11.814 -1.628 1.00 0.00 H new ATOM 0 HE3 LYS A 83 12.156 12.243 -0.145 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 13.549 12.230 -2.235 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 14.178 11.336 -0.936 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 13.422 10.536 -2.229 1.00 0.00 H new ATOM 1211 N LEU A 84 14.132 6.285 1.217 1.00 0.00 N ATOM 1212 CA LEU A 84 15.431 5.761 0.816 1.00 0.00 C ATOM 1213 C LEU A 84 15.260 4.584 -0.134 1.00 0.00 C ATOM 1214 O LEU A 84 15.998 4.445 -1.108 1.00 0.00 O ATOM 1215 CB LEU A 84 16.221 5.323 2.050 1.00 0.00 C ATOM 1216 CG LEU A 84 16.263 6.470 3.067 1.00 0.00 C ATOM 1217 CD1 LEU A 84 17.030 6.014 4.312 1.00 0.00 C ATOM 1218 CD2 LEU A 84 16.958 7.696 2.448 1.00 0.00 C ATOM 0 H LEU A 84 13.925 6.196 2.212 1.00 0.00 H new ATOM 0 HA LEU A 84 15.980 6.549 0.300 1.00 0.00 H new ATOM 0 HB2 LEU A 84 15.758 4.443 2.497 1.00 0.00 H new ATOM 0 HB3 LEU A 84 17.234 5.040 1.764 1.00 0.00 H new ATOM 0 HG LEU A 84 15.245 6.744 3.345 1.00 0.00 H new ATOM 0 HD11 LEU A 84 17.062 6.827 5.038 1.00 0.00 H new ATOM 0 HD12 LEU A 84 16.528 5.153 4.754 1.00 0.00 H new ATOM 0 HD13 LEU A 84 18.046 5.737 4.032 1.00 0.00 H new ATOM 0 HD21 LEU A 84 16.984 8.506 3.177 1.00 0.00 H new ATOM 0 HD22 LEU A 84 17.976 7.432 2.163 1.00 0.00 H new ATOM 0 HD23 LEU A 84 16.407 8.020 1.565 1.00 0.00 H new ATOM 1230 N LYS A 85 14.281 3.740 0.158 1.00 0.00 N ATOM 1231 CA LYS A 85 14.013 2.575 -0.676 1.00 0.00 C ATOM 1232 C LYS A 85 13.575 2.999 -2.072 1.00 0.00 C ATOM 1233 O LYS A 85 13.912 2.353 -3.063 1.00 0.00 O ATOM 1234 CB LYS A 85 12.928 1.714 -0.037 1.00 0.00 C ATOM 1235 CG LYS A 85 13.478 1.067 1.236 1.00 0.00 C ATOM 1236 CD LYS A 85 12.362 0.293 1.949 1.00 0.00 C ATOM 1237 CE LYS A 85 12.075 -1.024 1.216 1.00 0.00 C ATOM 1238 NZ LYS A 85 11.239 -1.901 2.081 1.00 0.00 N ATOM 0 H LYS A 85 13.661 3.838 0.962 1.00 0.00 H new ATOM 0 HA LYS A 85 14.933 1.996 -0.760 1.00 0.00 H new ATOM 0 HB2 LYS A 85 12.056 2.324 0.199 1.00 0.00 H new ATOM 0 HB3 LYS A 85 12.599 0.945 -0.736 1.00 0.00 H new ATOM 0 HG2 LYS A 85 14.299 0.394 0.988 1.00 0.00 H new ATOM 0 HG3 LYS A 85 13.883 1.832 1.898 1.00 0.00 H new ATOM 0 HD2 LYS A 85 12.653 0.088 2.979 1.00 0.00 H new ATOM 0 HD3 LYS A 85 11.457 0.900 1.989 1.00 0.00 H new ATOM 0 HE2 LYS A 85 11.560 -0.825 0.276 1.00 0.00 H new ATOM 0 HE3 LYS A 85 13.010 -1.525 0.967 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 11.044 -2.794 1.585 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 11.747 -2.101 2.967 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 10.342 -1.422 2.297 1.00 0.00 H new ATOM 1252 N ARG A 86 12.810 4.081 -2.138 1.00 0.00 N ATOM 1253 CA ARG A 86 12.316 4.581 -3.417 1.00 0.00 C ATOM 1254 C ARG A 86 13.468 4.911 -4.350 1.00 0.00 C ATOM 1255 O ARG A 86 13.360 4.749 -5.560 1.00 0.00 O ATOM 1256 CB ARG A 86 11.459 5.827 -3.198 1.00 0.00 C ATOM 1257 CG ARG A 86 10.870 6.291 -4.534 1.00 0.00 C ATOM 1258 CD ARG A 86 9.708 7.254 -4.276 1.00 0.00 C ATOM 1259 NE ARG A 86 8.556 6.518 -3.765 1.00 0.00 N ATOM 1260 CZ ARG A 86 7.430 7.140 -3.433 1.00 0.00 C ATOM 1261 NH1 ARG A 86 7.341 8.435 -3.556 1.00 0.00 N ATOM 1262 NH2 ARG A 86 6.412 6.455 -2.986 1.00 0.00 N ATOM 0 H ARG A 86 12.519 4.627 -1.327 1.00 0.00 H new ATOM 0 HA ARG A 86 11.709 3.800 -3.876 1.00 0.00 H new ATOM 0 HB2 ARG A 86 10.657 5.609 -2.492 1.00 0.00 H new ATOM 0 HB3 ARG A 86 12.062 6.622 -2.760 1.00 0.00 H new ATOM 0 HG2 ARG A 86 11.638 6.783 -5.130 1.00 0.00 H new ATOM 0 HG3 ARG A 86 10.523 5.432 -5.108 1.00 0.00 H new ATOM 0 HD2 ARG A 86 10.010 8.018 -3.559 1.00 0.00 H new ATOM 0 HD3 ARG A 86 9.441 7.770 -5.198 1.00 0.00 H new ATOM 0 HE ARG A 86 8.617 5.505 -3.661 1.00 0.00 H new ATOM 0 HH11 ARG A 86 8.136 8.970 -3.907 1.00 0.00 H new ATOM 0 HH12 ARG A 86 6.477 8.913 -3.301 1.00 0.00 H new ATOM 0 HH21 ARG A 86 6.481 5.442 -2.892 1.00 0.00 H new ATOM 0 HH22 ARG A 86 5.548 6.933 -2.731 1.00 0.00 H new ATOM 1403 N LEU A 93 19.247 1.448 -11.055 1.00 0.00 N ATOM 1404 CA LEU A 93 20.549 0.990 -10.580 1.00 0.00 C ATOM 1405 C LEU A 93 20.444 -0.432 -10.038 1.00 0.00 C ATOM 1406 O LEU A 93 21.325 -1.258 -10.266 1.00 0.00 O ATOM 1407 CB LEU A 93 21.073 1.923 -9.483 1.00 0.00 C ATOM 1408 CG LEU A 93 22.474 1.474 -9.028 1.00 0.00 C ATOM 1409 CD1 LEU A 93 23.468 1.556 -10.203 1.00 0.00 C ATOM 1410 CD2 LEU A 93 22.943 2.380 -7.882 1.00 0.00 C ATOM 0 HA LEU A 93 21.245 1.001 -11.419 1.00 0.00 H new ATOM 0 HB2 LEU A 93 21.114 2.947 -9.855 1.00 0.00 H new ATOM 0 HB3 LEU A 93 20.389 1.919 -8.635 1.00 0.00 H new ATOM 0 HG LEU A 93 22.429 0.441 -8.684 1.00 0.00 H new ATOM 0 HD11 LEU A 93 24.455 1.236 -9.868 1.00 0.00 H new ATOM 0 HD12 LEU A 93 23.131 0.907 -11.011 1.00 0.00 H new ATOM 0 HD13 LEU A 93 23.523 2.584 -10.562 1.00 0.00 H new ATOM 0 HD21 LEU A 93 23.935 2.068 -7.554 1.00 0.00 H new ATOM 0 HD22 LEU A 93 22.983 3.413 -8.228 1.00 0.00 H new ATOM 0 HD23 LEU A 93 22.245 2.303 -7.049 1.00 0.00 H new ATOM 1422 N LYS A 94 19.367 -0.704 -9.310 1.00 0.00 N ATOM 1423 CA LYS A 94 19.164 -2.025 -8.730 1.00 0.00 C ATOM 1424 C LYS A 94 19.405 -3.114 -9.768 1.00 0.00 C ATOM 1425 O LYS A 94 19.764 -4.241 -9.428 1.00 0.00 O ATOM 1426 CB LYS A 94 17.737 -2.137 -8.188 1.00 0.00 C ATOM 1427 CG LYS A 94 16.736 -1.910 -9.323 1.00 0.00 C ATOM 1428 CD LYS A 94 15.313 -1.979 -8.772 1.00 0.00 C ATOM 1429 CE LYS A 94 14.314 -1.837 -9.923 1.00 0.00 C ATOM 1430 NZ LYS A 94 14.533 -0.534 -10.612 1.00 0.00 N ATOM 0 H LYS A 94 18.626 -0.032 -9.109 1.00 0.00 H new ATOM 0 HA LYS A 94 19.877 -2.158 -7.916 1.00 0.00 H new ATOM 0 HB2 LYS A 94 17.582 -3.121 -7.745 1.00 0.00 H new ATOM 0 HB3 LYS A 94 17.579 -1.403 -7.398 1.00 0.00 H new ATOM 0 HG2 LYS A 94 16.911 -0.939 -9.787 1.00 0.00 H new ATOM 0 HG3 LYS A 94 16.873 -2.663 -10.099 1.00 0.00 H new ATOM 0 HD2 LYS A 94 15.157 -2.926 -8.255 1.00 0.00 H new ATOM 0 HD3 LYS A 94 15.156 -1.187 -8.040 1.00 0.00 H new ATOM 0 HE2 LYS A 94 14.436 -2.659 -10.629 1.00 0.00 H new ATOM 0 HE3 LYS A 94 13.294 -1.893 -9.543 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 13.693 -0.294 -11.176 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 14.699 0.210 -9.904 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 15.361 -0.607 -11.238 1.00 0.00 H new ATOM 1444 N MET A 95 19.207 -2.771 -11.034 1.00 0.00 N ATOM 1445 CA MET A 95 19.404 -3.729 -12.113 1.00 0.00 C ATOM 1446 C MET A 95 20.860 -4.172 -12.177 1.00 0.00 C ATOM 1447 O MET A 95 21.153 -5.351 -12.370 1.00 0.00 O ATOM 1448 CB MET A 95 19.005 -3.097 -13.447 1.00 0.00 C ATOM 1449 CG MET A 95 17.519 -2.730 -13.423 1.00 0.00 C ATOM 1450 SD MET A 95 16.516 -4.240 -13.311 1.00 0.00 S ATOM 1451 CE MET A 95 16.789 -4.852 -14.995 1.00 0.00 C ATOM 0 H MET A 95 18.912 -1.843 -11.337 1.00 0.00 H new ATOM 0 HA MET A 95 18.779 -4.601 -11.919 1.00 0.00 H new ATOM 0 HB2 MET A 95 19.606 -2.207 -13.632 1.00 0.00 H new ATOM 0 HB3 MET A 95 19.204 -3.792 -14.263 1.00 0.00 H new ATOM 0 HG2 MET A 95 17.309 -2.079 -12.574 1.00 0.00 H new ATOM 0 HG3 MET A 95 17.257 -2.174 -14.323 1.00 0.00 H new ATOM 0 HE1 MET A 95 15.965 -5.505 -15.283 1.00 0.00 H new ATOM 0 HE2 MET A 95 16.841 -4.009 -15.684 1.00 0.00 H new ATOM 0 HE3 MET A 95 17.725 -5.410 -15.032 1.00 0.00 H new ATOM 1461 N MET A 96 21.771 -3.221 -12.015 1.00 0.00 N ATOM 1462 CA MET A 96 23.192 -3.534 -12.058 1.00 0.00 C ATOM 1463 C MET A 96 23.566 -4.453 -10.903 1.00 0.00 C ATOM 1464 O MET A 96 24.346 -5.390 -11.069 1.00 0.00 O ATOM 1465 CB MET A 96 24.014 -2.242 -11.978 1.00 0.00 C ATOM 1466 CG MET A 96 25.512 -2.558 -12.094 1.00 0.00 C ATOM 1467 SD MET A 96 25.855 -3.233 -13.743 1.00 0.00 S ATOM 1468 CE MET A 96 27.224 -2.130 -14.182 1.00 0.00 C ATOM 0 H MET A 96 21.554 -2.237 -11.854 1.00 0.00 H new ATOM 0 HA MET A 96 23.409 -4.042 -12.998 1.00 0.00 H new ATOM 0 HB2 MET A 96 23.715 -1.563 -12.776 1.00 0.00 H new ATOM 0 HB3 MET A 96 23.814 -1.733 -11.035 1.00 0.00 H new ATOM 0 HG2 MET A 96 26.100 -1.655 -11.928 1.00 0.00 H new ATOM 0 HG3 MET A 96 25.805 -3.275 -11.327 1.00 0.00 H new ATOM 0 HE1 MET A 96 27.588 -2.381 -15.178 1.00 0.00 H new ATOM 0 HE2 MET A 96 26.877 -1.097 -14.172 1.00 0.00 H new ATOM 0 HE3 MET A 96 28.032 -2.248 -13.460 1.00 0.00 H new ATOM 1478 N ILE A 97 23.013 -4.174 -9.728 1.00 0.00 N ATOM 1479 CA ILE A 97 23.307 -4.979 -8.552 1.00 0.00 C ATOM 1480 C ILE A 97 22.818 -6.409 -8.750 1.00 0.00 C ATOM 1481 O ILE A 97 23.519 -7.365 -8.424 1.00 0.00 O ATOM 1482 CB ILE A 97 22.630 -4.371 -7.316 1.00 0.00 C ATOM 1483 CG1 ILE A 97 23.278 -3.019 -6.997 1.00 0.00 C ATOM 1484 CG2 ILE A 97 22.799 -5.310 -6.116 1.00 0.00 C ATOM 1485 CD1 ILE A 97 22.465 -2.292 -5.922 1.00 0.00 C ATOM 0 H ILE A 97 22.365 -3.403 -9.566 1.00 0.00 H new ATOM 0 HA ILE A 97 24.387 -4.991 -8.403 1.00 0.00 H new ATOM 0 HB ILE A 97 21.568 -4.233 -7.518 1.00 0.00 H new ATOM 0 HG12 ILE A 97 24.301 -3.169 -6.652 1.00 0.00 H new ATOM 0 HG13 ILE A 97 23.331 -2.410 -7.899 1.00 0.00 H new ATOM 0 HG21 ILE A 97 22.317 -4.873 -5.242 1.00 0.00 H new ATOM 0 HG22 ILE A 97 22.341 -6.273 -6.340 1.00 0.00 H new ATOM 0 HG23 ILE A 97 23.860 -5.452 -5.912 1.00 0.00 H new ATOM 0 HD11 ILE A 97 22.931 -1.332 -5.700 1.00 0.00 H new ATOM 0 HD12 ILE A 97 21.450 -2.128 -6.283 1.00 0.00 H new ATOM 0 HD13 ILE A 97 22.435 -2.898 -5.017 1.00 0.00 H new ATOM 1497 N ILE A 98 21.610 -6.544 -9.280 1.00 0.00 N ATOM 1498 CA ILE A 98 21.031 -7.862 -9.508 1.00 0.00 C ATOM 1499 C ILE A 98 21.860 -8.635 -10.523 1.00 0.00 C ATOM 1500 O ILE A 98 22.118 -9.824 -10.353 1.00 0.00 O ATOM 1501 CB ILE A 98 19.587 -7.725 -10.012 1.00 0.00 C ATOM 1502 CG1 ILE A 98 18.692 -7.150 -8.887 1.00 0.00 C ATOM 1503 CG2 ILE A 98 19.055 -9.097 -10.460 1.00 0.00 C ATOM 1504 CD1 ILE A 98 18.190 -8.265 -7.956 1.00 0.00 C ATOM 0 H ILE A 98 21.015 -5.764 -9.559 1.00 0.00 H new ATOM 0 HA ILE A 98 21.029 -8.408 -8.565 1.00 0.00 H new ATOM 0 HB ILE A 98 19.569 -7.045 -10.864 1.00 0.00 H new ATOM 0 HG12 ILE A 98 19.254 -6.416 -8.310 1.00 0.00 H new ATOM 0 HG13 ILE A 98 17.842 -6.628 -9.325 1.00 0.00 H new ATOM 0 HG21 ILE A 98 18.030 -8.991 -10.816 1.00 0.00 H new ATOM 0 HG22 ILE A 98 19.680 -9.485 -11.264 1.00 0.00 H new ATOM 0 HG23 ILE A 98 19.077 -9.788 -9.618 1.00 0.00 H new ATOM 0 HD11 ILE A 98 17.564 -7.833 -7.175 1.00 0.00 H new ATOM 0 HD12 ILE A 98 17.608 -8.985 -8.531 1.00 0.00 H new ATOM 0 HD13 ILE A 98 19.042 -8.769 -7.500 1.00 0.00 H new ATOM 1516 N LEU A 99 22.268 -7.952 -11.580 1.00 0.00 N ATOM 1517 CA LEU A 99 23.058 -8.593 -12.617 1.00 0.00 C ATOM 1518 C LEU A 99 24.372 -9.107 -12.043 1.00 0.00 C ATOM 1519 O LEU A 99 24.821 -10.202 -12.382 1.00 0.00 O ATOM 1520 CB LEU A 99 23.341 -7.604 -13.753 1.00 0.00 C ATOM 1521 CG LEU A 99 24.232 -8.261 -14.821 1.00 0.00 C ATOM 1522 CD1 LEU A 99 23.567 -9.543 -15.352 1.00 0.00 C ATOM 1523 CD2 LEU A 99 24.449 -7.273 -15.972 1.00 0.00 C ATOM 0 H LEU A 99 22.068 -6.965 -11.742 1.00 0.00 H new ATOM 0 HA LEU A 99 22.491 -9.437 -13.011 1.00 0.00 H new ATOM 0 HB2 LEU A 99 22.403 -7.277 -14.202 1.00 0.00 H new ATOM 0 HB3 LEU A 99 23.831 -6.715 -13.357 1.00 0.00 H new ATOM 0 HG LEU A 99 25.192 -8.525 -14.377 1.00 0.00 H new ATOM 0 HD11 LEU A 99 24.207 -9.999 -16.107 1.00 0.00 H new ATOM 0 HD12 LEU A 99 23.420 -10.244 -14.530 1.00 0.00 H new ATOM 0 HD13 LEU A 99 22.602 -9.296 -15.795 1.00 0.00 H new ATOM 0 HD21 LEU A 99 25.080 -7.733 -16.732 1.00 0.00 H new ATOM 0 HD22 LEU A 99 23.487 -7.008 -16.411 1.00 0.00 H new ATOM 0 HD23 LEU A 99 24.935 -6.374 -15.593 1.00 0.00 H new ATOM 1535 N GLY A 100 24.987 -8.307 -11.182 1.00 0.00 N ATOM 1536 CA GLY A 100 26.257 -8.689 -10.581 1.00 0.00 C ATOM 1537 C GLY A 100 26.110 -9.965 -9.762 1.00 0.00 C ATOM 1538 O GLY A 100 27.016 -10.798 -9.727 1.00 0.00 O ATOM 0 H GLY A 100 24.631 -7.398 -10.886 1.00 0.00 H new ATOM 0 HA2 GLY A 100 27.003 -8.837 -11.362 1.00 0.00 H new ATOM 0 HA3 GLY A 100 26.619 -7.883 -9.943 1.00 0.00 H new ATOM 1542 N VAL A 101 24.967 -10.113 -9.105 1.00 0.00 N ATOM 1543 CA VAL A 101 24.720 -11.293 -8.290 1.00 0.00 C ATOM 1544 C VAL A 101 24.731 -12.553 -9.153 1.00 0.00 C ATOM 1545 O VAL A 101 25.352 -13.553 -8.798 1.00 0.00 O ATOM 1546 CB VAL A 101 23.363 -11.166 -7.585 1.00 0.00 C ATOM 1547 CG1 VAL A 101 23.023 -12.476 -6.867 1.00 0.00 C ATOM 1548 CG2 VAL A 101 23.423 -10.027 -6.561 1.00 0.00 C ATOM 0 H VAL A 101 24.203 -9.437 -9.120 1.00 0.00 H new ATOM 0 HA VAL A 101 25.512 -11.370 -7.545 1.00 0.00 H new ATOM 0 HB VAL A 101 22.594 -10.953 -8.327 1.00 0.00 H new ATOM 0 HG11 VAL A 101 22.058 -12.378 -6.369 1.00 0.00 H new ATOM 0 HG12 VAL A 101 22.976 -13.287 -7.593 1.00 0.00 H new ATOM 0 HG13 VAL A 101 23.793 -12.696 -6.127 1.00 0.00 H new ATOM 0 HG21 VAL A 101 22.459 -9.937 -6.060 1.00 0.00 H new ATOM 0 HG22 VAL A 101 24.196 -10.241 -5.823 1.00 0.00 H new ATOM 0 HG23 VAL A 101 23.656 -9.092 -7.070 1.00 0.00 H new ATOM 1558 N ILE A 102 24.037 -12.499 -10.286 1.00 0.00 N ATOM 1559 CA ILE A 102 23.972 -13.650 -11.182 1.00 0.00 C ATOM 1560 C ILE A 102 25.355 -13.997 -11.713 1.00 0.00 C ATOM 1561 O ILE A 102 25.777 -15.153 -11.682 1.00 0.00 O ATOM 1562 CB ILE A 102 23.042 -13.332 -12.351 1.00 0.00 C ATOM 1563 CG1 ILE A 102 21.662 -12.937 -11.813 1.00 0.00 C ATOM 1564 CG2 ILE A 102 22.904 -14.569 -13.240 1.00 0.00 C ATOM 1565 CD1 ILE A 102 20.858 -12.272 -12.928 1.00 0.00 C ATOM 0 H ILE A 102 23.517 -11.681 -10.603 1.00 0.00 H new ATOM 0 HA ILE A 102 23.589 -14.505 -10.625 1.00 0.00 H new ATOM 0 HB ILE A 102 23.456 -12.508 -12.932 1.00 0.00 H new ATOM 0 HG12 ILE A 102 21.136 -13.818 -11.446 1.00 0.00 H new ATOM 0 HG13 ILE A 102 21.769 -12.255 -10.970 1.00 0.00 H new ATOM 0 HG21 ILE A 102 22.241 -14.345 -14.075 1.00 0.00 H new ATOM 0 HG22 ILE A 102 23.884 -14.854 -13.622 1.00 0.00 H new ATOM 0 HG23 ILE A 102 22.489 -15.391 -12.657 1.00 0.00 H new ATOM 0 HD11 ILE A 102 19.876 -11.989 -12.549 1.00 0.00 H new ATOM 0 HD12 ILE A 102 21.383 -11.382 -13.274 1.00 0.00 H new ATOM 0 HD13 ILE A 102 20.740 -12.969 -13.757 1.00 0.00 H new ATOM 1577 N CYS A 103 26.051 -12.982 -12.194 1.00 0.00 N ATOM 1578 CA CYS A 103 27.398 -13.175 -12.731 1.00 0.00 C ATOM 1579 C CYS A 103 28.343 -13.679 -11.646 1.00 0.00 C ATOM 1580 O CYS A 103 29.236 -14.483 -11.910 1.00 0.00 O ATOM 1581 CB CYS A 103 27.938 -11.865 -13.308 1.00 0.00 C ATOM 1582 SG CYS A 103 26.943 -11.396 -14.741 1.00 0.00 S ATOM 0 H CYS A 103 25.714 -12.020 -12.226 1.00 0.00 H new ATOM 0 HA CYS A 103 27.339 -13.919 -13.525 1.00 0.00 H new ATOM 0 HB2 CYS A 103 27.904 -11.079 -12.553 1.00 0.00 H new ATOM 0 HB3 CYS A 103 28.982 -11.984 -13.598 1.00 0.00 H new ATOM 0 HG CYS A 103 25.862 -10.795 -14.341 1.00 0.00 H new ATOM 1588 N ALA A 104 28.140 -13.197 -10.424 1.00 0.00 N ATOM 1589 CA ALA A 104 28.980 -13.602 -9.306 1.00 0.00 C ATOM 1590 C ALA A 104 28.883 -15.108 -9.082 1.00 0.00 C ATOM 1591 O ALA A 104 29.868 -15.757 -8.735 1.00 0.00 O ATOM 1592 CB ALA A 104 28.547 -12.868 -8.035 1.00 0.00 C ATOM 0 H ALA A 104 27.406 -12.530 -10.185 1.00 0.00 H new ATOM 0 HA ALA A 104 30.013 -13.346 -9.540 1.00 0.00 H new ATOM 0 HB1 ALA A 104 29.180 -13.176 -7.203 1.00 0.00 H new ATOM 0 HB2 ALA A 104 28.643 -11.793 -8.185 1.00 0.00 H new ATOM 0 HB3 ALA A 104 27.509 -13.111 -7.810 1.00 0.00 H new ATOM 1598 N ILE A 105 27.688 -15.653 -9.282 1.00 0.00 N ATOM 1599 CA ILE A 105 27.470 -17.087 -9.098 1.00 0.00 C ATOM 1600 C ILE A 105 28.299 -17.889 -10.097 1.00 0.00 C ATOM 1601 O ILE A 105 28.893 -18.911 -9.749 1.00 0.00 O ATOM 1602 CB ILE A 105 25.984 -17.421 -9.268 1.00 0.00 C ATOM 1603 CG1 ILE A 105 25.192 -16.802 -8.114 1.00 0.00 C ATOM 1604 CG2 ILE A 105 25.793 -18.942 -9.254 1.00 0.00 C ATOM 1605 CD1 ILE A 105 23.693 -16.898 -8.411 1.00 0.00 C ATOM 0 H ILE A 105 26.860 -15.130 -9.569 1.00 0.00 H new ATOM 0 HA ILE A 105 27.784 -17.355 -8.089 1.00 0.00 H new ATOM 0 HB ILE A 105 25.628 -17.020 -10.217 1.00 0.00 H new ATOM 0 HG12 ILE A 105 25.422 -17.319 -7.183 1.00 0.00 H new ATOM 0 HG13 ILE A 105 25.480 -15.760 -7.979 1.00 0.00 H new ATOM 0 HG21 ILE A 105 24.736 -19.177 -9.375 1.00 0.00 H new ATOM 0 HG22 ILE A 105 26.360 -19.387 -10.072 1.00 0.00 H new ATOM 0 HG23 ILE A 105 26.148 -19.345 -8.305 1.00 0.00 H new ATOM 0 HD11 ILE A 105 23.130 -16.457 -7.588 1.00 0.00 H new ATOM 0 HD12 ILE A 105 23.470 -16.361 -9.333 1.00 0.00 H new ATOM 0 HD13 ILE A 105 23.411 -17.945 -8.524 1.00 0.00 H new ATOM 1617 N ILE A 106 28.325 -17.424 -11.339 1.00 0.00 N ATOM 1618 CA ILE A 106 29.068 -18.106 -12.390 1.00 0.00 C ATOM 1619 C ILE A 106 30.540 -18.193 -12.016 1.00 0.00 C ATOM 1620 O ILE A 106 31.196 -19.201 -12.270 1.00 0.00 O ATOM 1621 CB ILE A 106 28.918 -17.357 -13.715 1.00 0.00 C ATOM 1622 CG1 ILE A 106 27.428 -17.107 -13.996 1.00 0.00 C ATOM 1623 CG2 ILE A 106 29.522 -18.189 -14.849 1.00 0.00 C ATOM 1624 CD1 ILE A 106 26.636 -18.419 -13.922 1.00 0.00 C ATOM 0 H ILE A 106 27.841 -16.579 -11.643 1.00 0.00 H new ATOM 0 HA ILE A 106 28.666 -19.113 -12.503 1.00 0.00 H new ATOM 0 HB ILE A 106 29.441 -16.403 -13.652 1.00 0.00 H new ATOM 0 HG12 ILE A 106 27.031 -16.395 -13.273 1.00 0.00 H new ATOM 0 HG13 ILE A 106 27.309 -16.659 -14.983 1.00 0.00 H new ATOM 0 HG21 ILE A 106 29.413 -17.652 -15.792 1.00 0.00 H new ATOM 0 HG22 ILE A 106 30.580 -18.362 -14.650 1.00 0.00 H new ATOM 0 HG23 ILE A 106 29.004 -19.146 -14.914 1.00 0.00 H new ATOM 0 HD11 ILE A 106 25.583 -18.220 -14.124 1.00 0.00 H new ATOM 0 HD12 ILE A 106 27.022 -19.119 -14.663 1.00 0.00 H new ATOM 0 HD13 ILE A 106 26.739 -18.851 -12.926 1.00 0.00 H new ATOM 1636 N LEU A 107 31.058 -17.133 -11.417 1.00 0.00 N ATOM 1637 CA LEU A 107 32.459 -17.113 -11.029 1.00 0.00 C ATOM 1638 C LEU A 107 32.767 -18.270 -10.082 1.00 0.00 C ATOM 1639 O LEU A 107 33.800 -18.926 -10.208 1.00 0.00 O ATOM 1640 CB LEU A 107 32.792 -15.784 -10.337 1.00 0.00 C ATOM 1641 CG LEU A 107 34.268 -15.762 -9.903 1.00 0.00 C ATOM 1642 CD1 LEU A 107 35.182 -15.962 -11.125 1.00 0.00 C ATOM 1643 CD2 LEU A 107 34.576 -14.417 -9.234 1.00 0.00 C ATOM 0 H LEU A 107 30.538 -16.285 -11.191 1.00 0.00 H new ATOM 0 HA LEU A 107 33.068 -17.218 -11.927 1.00 0.00 H new ATOM 0 HB2 LEU A 107 32.593 -14.954 -11.015 1.00 0.00 H new ATOM 0 HB3 LEU A 107 32.148 -15.648 -9.468 1.00 0.00 H new ATOM 0 HG LEU A 107 34.450 -16.572 -9.196 1.00 0.00 H new ATOM 0 HD11 LEU A 107 36.224 -15.945 -10.806 1.00 0.00 H new ATOM 0 HD12 LEU A 107 34.961 -16.922 -11.591 1.00 0.00 H new ATOM 0 HD13 LEU A 107 35.009 -15.161 -11.844 1.00 0.00 H new ATOM 0 HD21 LEU A 107 35.621 -14.396 -8.924 1.00 0.00 H new ATOM 0 HD22 LEU A 107 34.390 -13.608 -9.941 1.00 0.00 H new ATOM 0 HD23 LEU A 107 33.936 -14.290 -8.361 1.00 0.00 H new ATOM 1655 N ILE A 108 31.870 -18.514 -9.134 1.00 0.00 N ATOM 1656 CA ILE A 108 32.071 -19.589 -8.170 1.00 0.00 C ATOM 1657 C ILE A 108 32.092 -20.940 -8.877 1.00 0.00 C ATOM 1658 O ILE A 108 32.935 -21.790 -8.588 1.00 0.00 O ATOM 1659 CB ILE A 108 30.950 -19.573 -7.130 1.00 0.00 C ATOM 1660 CG1 ILE A 108 30.829 -18.165 -6.530 1.00 0.00 C ATOM 1661 CG2 ILE A 108 31.252 -20.582 -6.021 1.00 0.00 C ATOM 1662 CD1 ILE A 108 32.177 -17.694 -5.964 1.00 0.00 C ATOM 0 H ILE A 108 31.005 -17.988 -9.012 1.00 0.00 H new ATOM 0 HA ILE A 108 33.029 -19.435 -7.673 1.00 0.00 H new ATOM 0 HB ILE A 108 30.010 -19.845 -7.611 1.00 0.00 H new ATOM 0 HG12 ILE A 108 30.487 -17.467 -7.295 1.00 0.00 H new ATOM 0 HG13 ILE A 108 30.078 -18.165 -5.740 1.00 0.00 H new ATOM 0 HG21 ILE A 108 30.449 -20.564 -5.284 1.00 0.00 H new ATOM 0 HG22 ILE A 108 31.329 -21.581 -6.449 1.00 0.00 H new ATOM 0 HG23 ILE A 108 32.193 -20.321 -5.538 1.00 0.00 H new ATOM 0 HD11 ILE A 108 32.066 -16.694 -5.545 1.00 0.00 H new ATOM 0 HD12 ILE A 108 32.504 -18.381 -5.183 1.00 0.00 H new ATOM 0 HD13 ILE A 108 32.919 -17.672 -6.762 1.00 0.00 H new ATOM 1674 N ILE A 109 31.163 -21.131 -9.803 1.00 0.00 N ATOM 1675 CA ILE A 109 31.087 -22.386 -10.540 1.00 0.00 C ATOM 1676 C ILE A 109 32.352 -22.591 -11.370 1.00 0.00 C ATOM 1677 O ILE A 109 32.906 -23.690 -11.413 1.00 0.00 O ATOM 1678 CB ILE A 109 29.864 -22.375 -11.460 1.00 0.00 C ATOM 1679 CG1 ILE A 109 28.592 -22.385 -10.610 1.00 0.00 C ATOM 1680 CG2 ILE A 109 29.883 -23.616 -12.358 1.00 0.00 C ATOM 1681 CD1 ILE A 109 27.382 -22.094 -11.498 1.00 0.00 C ATOM 0 H ILE A 109 30.457 -20.441 -10.061 1.00 0.00 H new ATOM 0 HA ILE A 109 30.996 -23.205 -9.827 1.00 0.00 H new ATOM 0 HB ILE A 109 29.886 -21.479 -12.080 1.00 0.00 H new ATOM 0 HG12 ILE A 109 28.475 -23.353 -10.124 1.00 0.00 H new ATOM 0 HG13 ILE A 109 28.664 -21.638 -9.820 1.00 0.00 H new ATOM 0 HG21 ILE A 109 29.011 -23.605 -13.012 1.00 0.00 H new ATOM 0 HG22 ILE A 109 30.790 -23.614 -12.963 1.00 0.00 H new ATOM 0 HG23 ILE A 109 29.862 -24.513 -11.739 1.00 0.00 H new ATOM 0 HD11 ILE A 109 26.476 -22.101 -10.892 1.00 0.00 H new ATOM 0 HD12 ILE A 109 27.499 -21.115 -11.964 1.00 0.00 H new ATOM 0 HD13 ILE A 109 27.307 -22.858 -12.272 1.00 0.00 H new ATOM 1693 N ILE A 110 32.801 -21.531 -12.030 1.00 0.00 N ATOM 1694 CA ILE A 110 33.997 -21.612 -12.856 1.00 0.00 C ATOM 1695 C ILE A 110 35.213 -21.944 -11.999 1.00 0.00 C ATOM 1696 O ILE A 110 36.044 -22.771 -12.376 1.00 0.00 O ATOM 1697 CB ILE A 110 34.222 -20.282 -13.584 1.00 0.00 C ATOM 1698 CG1 ILE A 110 33.106 -20.069 -14.609 1.00 0.00 C ATOM 1699 CG2 ILE A 110 35.573 -20.306 -14.306 1.00 0.00 C ATOM 1700 CD1 ILE A 110 33.155 -18.631 -15.127 1.00 0.00 C ATOM 0 H ILE A 110 32.359 -20.612 -12.010 1.00 0.00 H new ATOM 0 HA ILE A 110 33.859 -22.405 -13.591 1.00 0.00 H new ATOM 0 HB ILE A 110 34.216 -19.470 -12.857 1.00 0.00 H new ATOM 0 HG12 ILE A 110 33.220 -20.769 -15.437 1.00 0.00 H new ATOM 0 HG13 ILE A 110 32.136 -20.270 -14.153 1.00 0.00 H new ATOM 0 HG21 ILE A 110 35.727 -19.358 -14.821 1.00 0.00 H new ATOM 0 HG22 ILE A 110 36.371 -20.458 -13.579 1.00 0.00 H new ATOM 0 HG23 ILE A 110 35.583 -21.119 -15.032 1.00 0.00 H new ATOM 0 HD11 ILE A 110 32.360 -18.480 -15.857 1.00 0.00 H new ATOM 0 HD12 ILE A 110 33.020 -17.940 -14.295 1.00 0.00 H new ATOM 0 HD13 ILE A 110 34.120 -18.447 -15.599 1.00 0.00 H new ATOM 1712 N ILE A 111 35.314 -21.292 -10.848 1.00 0.00 N ATOM 1713 CA ILE A 111 36.443 -21.523 -9.955 1.00 0.00 C ATOM 1714 C ILE A 111 36.437 -22.962 -9.448 1.00 0.00 C ATOM 1715 O ILE A 111 37.477 -23.621 -9.411 1.00 0.00 O ATOM 1716 CB ILE A 111 36.372 -20.552 -8.764 1.00 0.00 C ATOM 1717 CG1 ILE A 111 36.618 -19.102 -9.248 1.00 0.00 C ATOM 1718 CG2 ILE A 111 37.418 -20.942 -7.707 1.00 0.00 C ATOM 1719 CD1 ILE A 111 38.122 -18.794 -9.324 1.00 0.00 C ATOM 0 H ILE A 111 34.637 -20.607 -10.513 1.00 0.00 H new ATOM 0 HA ILE A 111 37.366 -21.351 -10.508 1.00 0.00 H new ATOM 0 HB ILE A 111 35.380 -20.610 -8.317 1.00 0.00 H new ATOM 0 HG12 ILE A 111 36.164 -18.960 -10.229 1.00 0.00 H new ATOM 0 HG13 ILE A 111 36.134 -18.401 -8.568 1.00 0.00 H new ATOM 0 HG21 ILE A 111 37.362 -20.250 -6.867 1.00 0.00 H new ATOM 0 HG22 ILE A 111 37.221 -21.955 -7.357 1.00 0.00 H new ATOM 0 HG23 ILE A 111 38.414 -20.898 -8.147 1.00 0.00 H new ATOM 0 HD11 ILE A 111 38.267 -17.769 -9.667 1.00 0.00 H new ATOM 0 HD12 ILE A 111 38.568 -18.913 -8.337 1.00 0.00 H new ATOM 0 HD13 ILE A 111 38.599 -19.481 -10.023 1.00 0.00 H new ATOM 1731 N VAL A 112 35.264 -23.442 -9.059 1.00 0.00 N ATOM 1732 CA VAL A 112 35.138 -24.797 -8.559 1.00 0.00 C ATOM 1733 C VAL A 112 35.400 -25.799 -9.675 1.00 0.00 C ATOM 1734 O VAL A 112 36.085 -26.802 -9.477 1.00 0.00 O ATOM 1735 CB VAL A 112 33.738 -25.012 -7.978 1.00 0.00 C ATOM 1736 CG1 VAL A 112 33.555 -26.485 -7.603 1.00 0.00 C ATOM 1737 CG2 VAL A 112 33.569 -24.145 -6.727 1.00 0.00 C ATOM 0 H VAL A 112 34.392 -22.913 -9.081 1.00 0.00 H new ATOM 0 HA VAL A 112 35.877 -24.950 -7.772 1.00 0.00 H new ATOM 0 HB VAL A 112 32.992 -24.733 -8.722 1.00 0.00 H new ATOM 0 HG11 VAL A 112 32.557 -26.634 -7.190 1.00 0.00 H new ATOM 0 HG12 VAL A 112 33.676 -27.104 -8.492 1.00 0.00 H new ATOM 0 HG13 VAL A 112 34.301 -26.767 -6.860 1.00 0.00 H new ATOM 0 HG21 VAL A 112 32.573 -24.296 -6.311 1.00 0.00 H new ATOM 0 HG22 VAL A 112 34.318 -24.425 -5.986 1.00 0.00 H new ATOM 0 HG23 VAL A 112 33.696 -23.095 -6.992 1.00 0.00 H new ATOM 1747 N TYR A 113 34.842 -25.521 -10.846 1.00 0.00 N ATOM 1748 CA TYR A 113 35.009 -26.410 -11.984 1.00 0.00 C ATOM 1749 C TYR A 113 36.481 -26.563 -12.337 1.00 0.00 C ATOM 1750 O TYR A 113 36.962 -27.669 -12.586 1.00 0.00 O ATOM 1751 CB TYR A 113 34.236 -25.873 -13.193 1.00 0.00 C ATOM 1752 CG TYR A 113 34.489 -26.756 -14.394 1.00 0.00 C ATOM 1753 CD1 TYR A 113 33.828 -27.985 -14.512 1.00 0.00 C ATOM 1754 CD2 TYR A 113 35.388 -26.348 -15.387 1.00 0.00 C ATOM 1755 CE1 TYR A 113 34.065 -28.804 -15.624 1.00 0.00 C ATOM 1756 CE2 TYR A 113 35.624 -27.165 -16.498 1.00 0.00 C ATOM 1757 CZ TYR A 113 34.963 -28.394 -16.616 1.00 0.00 C ATOM 1758 OH TYR A 113 35.197 -29.200 -17.711 1.00 0.00 O ATOM 0 H TYR A 113 34.275 -24.694 -11.030 1.00 0.00 H new ATOM 0 HA TYR A 113 34.613 -27.389 -11.713 1.00 0.00 H new ATOM 0 HB2 TYR A 113 33.169 -25.843 -12.970 1.00 0.00 H new ATOM 0 HB3 TYR A 113 34.546 -24.851 -13.410 1.00 0.00 H new ATOM 0 HD1 TYR A 113 33.136 -28.302 -13.746 1.00 0.00 H new ATOM 0 HD2 TYR A 113 35.900 -25.401 -15.295 1.00 0.00 H new ATOM 0 HE1 TYR A 113 33.555 -29.751 -15.716 1.00 0.00 H new ATOM 0 HE2 TYR A 113 36.316 -26.848 -17.264 1.00 0.00 H new ATOM 0 HH TYR A 113 35.846 -28.766 -18.304 1.00 0.00 H new ATOM 1768 N PHE A 114 37.187 -25.446 -12.357 1.00 0.00 N ATOM 1769 CA PHE A 114 38.606 -25.455 -12.683 1.00 0.00 C ATOM 1770 C PHE A 114 39.381 -26.302 -11.686 1.00 0.00 C ATOM 1771 O PHE A 114 40.232 -27.109 -12.064 1.00 0.00 O ATOM 1772 CB PHE A 114 39.157 -24.027 -12.679 1.00 0.00 C ATOM 1773 CG PHE A 114 40.632 -24.054 -13.008 1.00 0.00 C ATOM 1774 CD1 PHE A 114 41.051 -24.141 -14.342 1.00 0.00 C ATOM 1775 CD2 PHE A 114 41.580 -23.993 -11.979 1.00 0.00 C ATOM 1776 CE1 PHE A 114 42.419 -24.166 -14.645 1.00 0.00 C ATOM 1777 CE2 PHE A 114 42.945 -24.018 -12.283 1.00 0.00 C ATOM 1778 CZ PHE A 114 43.366 -24.105 -13.615 1.00 0.00 C ATOM 0 H PHE A 114 36.804 -24.523 -12.152 1.00 0.00 H new ATOM 0 HA PHE A 114 38.724 -25.886 -13.677 1.00 0.00 H new ATOM 0 HB2 PHE A 114 38.622 -23.418 -13.408 1.00 0.00 H new ATOM 0 HB3 PHE A 114 39.000 -23.568 -11.703 1.00 0.00 H new ATOM 0 HD1 PHE A 114 40.320 -24.189 -15.136 1.00 0.00 H new ATOM 0 HD2 PHE A 114 41.257 -23.927 -10.951 1.00 0.00 H new ATOM 0 HE1 PHE A 114 42.743 -24.232 -15.673 1.00 0.00 H new ATOM 0 HE2 PHE A 114 43.675 -23.970 -11.489 1.00 0.00 H new ATOM 0 HZ PHE A 114 44.420 -24.125 -13.848 1.00 0.00 H new ATOM 1788 N SER A 115 39.081 -26.108 -10.412 1.00 0.00 N ATOM 1789 CA SER A 115 39.754 -26.850 -9.355 1.00 0.00 C ATOM 1790 C SER A 115 39.166 -28.247 -9.215 1.00 0.00 C ATOM 1791 O SER A 115 39.706 -29.079 -8.488 1.00 0.00 O ATOM 1792 CB SER A 115 39.626 -26.118 -8.021 1.00 0.00 C ATOM 1793 OG SER A 115 38.267 -26.142 -7.600 1.00 0.00 O ATOM 0 H SER A 115 38.378 -25.445 -10.084 1.00 0.00 H new ATOM 0 HA SER A 115 40.807 -26.930 -9.626 1.00 0.00 H new ATOM 0 HB2 SER A 115 40.259 -26.592 -7.271 1.00 0.00 H new ATOM 0 HB3 SER A 115 39.969 -25.088 -8.124 1.00 0.00 H new ATOM 0 HG SER A 115 37.685 -26.268 -8.379 1.00 0.00 H new ATOM 1799 N THR A 116 38.057 -28.493 -9.917 1.00 0.00 N ATOM 1800 CA THR A 116 37.384 -29.796 -9.875 1.00 0.00 C ATOM 1801 C THR A 116 37.525 -30.458 -8.504 1.00 0.00 C ATOM 1802 O THR A 116 37.399 -29.755 -7.515 1.00 0.00 O ATOM 1803 CB THR A 116 37.961 -30.716 -10.958 1.00 0.00 C ATOM 1804 OG1 THR A 116 37.393 -32.011 -10.824 1.00 0.00 O ATOM 1805 CG2 THR A 116 39.481 -30.808 -10.810 1.00 0.00 C ATOM 1806 OXT THR A 116 37.775 -31.650 -8.468 1.00 0.00 O ATOM 0 H THR A 116 37.605 -27.807 -10.522 1.00 0.00 H new ATOM 0 HA THR A 116 36.323 -29.630 -10.060 1.00 0.00 H new ATOM 0 HB THR A 116 37.723 -30.309 -11.941 1.00 0.00 H new ATOM 0 HG1 THR A 116 37.702 -32.419 -9.988 1.00 0.00 H new ATOM 0 HG21 THR A 116 39.883 -31.463 -11.583 1.00 0.00 H new ATOM 0 HG22 THR A 116 39.917 -29.815 -10.914 1.00 0.00 H new ATOM 0 HG23 THR A 116 39.727 -31.212 -9.828 1.00 0.00 H new