USER MOD reduce.3.24.130724 H: found=0, std=0, add=410, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 411 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 34 SER OG : rot 180:sc= 0 USER MOD Single : A 36 HIS : no HD1:sc= -0.573 X(o=-0.57,f=-0.7) USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ 157:sc= -0.204 (180deg=-0.946) USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 HIS :FLIP no HD1:sc= -4.22! C(o=-6.4!,f=-4.2!) USER MOD Single : A 59 CYS SG : rot 180:sc= -0.659 USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 THR OG1 : rot -157:sc= -4.02! USER MOD Single : A 95 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 537 N GLY A 33 4.129 -9.995 -14.759 1.00 0.00 N ATOM 538 CA GLY A 33 4.422 -9.542 -16.148 1.00 0.00 C ATOM 539 C GLY A 33 3.572 -10.339 -17.139 1.00 0.00 C ATOM 540 O GLY A 33 3.953 -10.545 -18.274 1.00 0.00 O ATOM 0 HA2 GLY A 33 4.210 -8.477 -16.246 1.00 0.00 H new ATOM 0 HA3 GLY A 33 5.480 -9.678 -16.370 1.00 0.00 H new ATOM 544 N SER A 34 2.420 -10.788 -16.718 1.00 0.00 N ATOM 545 CA SER A 34 1.546 -11.571 -17.637 1.00 0.00 C ATOM 546 C SER A 34 0.358 -10.709 -18.067 1.00 0.00 C ATOM 547 O SER A 34 0.076 -9.685 -17.479 1.00 0.00 O ATOM 548 CB SER A 34 1.036 -12.818 -16.915 1.00 0.00 C ATOM 549 OG SER A 34 2.141 -13.541 -16.388 1.00 0.00 O ATOM 0 H SER A 34 2.047 -10.646 -15.779 1.00 0.00 H new ATOM 0 HA SER A 34 2.117 -11.868 -18.517 1.00 0.00 H new ATOM 0 HB2 SER A 34 0.356 -12.535 -16.112 1.00 0.00 H new ATOM 0 HB3 SER A 34 0.471 -13.446 -17.604 1.00 0.00 H new ATOM 0 HG SER A 34 1.817 -14.340 -15.923 1.00 0.00 H new ATOM 555 N VAL A 35 -0.343 -11.116 -19.089 1.00 0.00 N ATOM 556 CA VAL A 35 -1.513 -10.321 -19.557 1.00 0.00 C ATOM 557 C VAL A 35 -2.807 -11.059 -19.202 1.00 0.00 C ATOM 558 O VAL A 35 -2.891 -12.266 -19.307 1.00 0.00 O ATOM 559 CB VAL A 35 -1.428 -10.136 -21.073 1.00 0.00 C ATOM 560 CG1 VAL A 35 -0.385 -9.065 -21.399 1.00 0.00 C ATOM 561 CG2 VAL A 35 -1.015 -11.459 -21.723 1.00 0.00 C ATOM 0 H VAL A 35 -0.156 -11.966 -19.621 1.00 0.00 H new ATOM 0 HA VAL A 35 -1.508 -9.345 -19.071 1.00 0.00 H new ATOM 0 HB VAL A 35 -2.400 -9.826 -21.457 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -0.324 -8.933 -22.479 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -0.674 -8.122 -20.934 1.00 0.00 H new ATOM 0 HG13 VAL A 35 0.587 -9.375 -21.016 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -0.954 -11.330 -22.804 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -0.042 -11.765 -21.338 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -1.755 -12.225 -21.491 1.00 0.00 H new ATOM 571 N HIS A 36 -3.816 -10.345 -18.781 1.00 0.00 N ATOM 572 CA HIS A 36 -5.100 -11.011 -18.420 1.00 0.00 C ATOM 573 C HIS A 36 -6.251 -10.008 -18.537 1.00 0.00 C ATOM 574 O HIS A 36 -6.041 -8.818 -18.666 1.00 0.00 O ATOM 575 CB HIS A 36 -5.019 -11.529 -16.982 1.00 0.00 C ATOM 576 CG HIS A 36 -4.463 -12.927 -16.981 1.00 0.00 C ATOM 577 ND1 HIS A 36 -5.123 -13.985 -17.584 1.00 0.00 N ATOM 578 CD2 HIS A 36 -3.311 -13.454 -16.452 1.00 0.00 C ATOM 579 CE1 HIS A 36 -4.370 -15.086 -17.406 1.00 0.00 C ATOM 580 NE2 HIS A 36 -3.255 -14.819 -16.722 1.00 0.00 N ATOM 0 H HIS A 36 -3.807 -9.331 -18.672 1.00 0.00 H new ATOM 0 HA HIS A 36 -5.278 -11.845 -19.099 1.00 0.00 H new ATOM 0 HB2 HIS A 36 -4.385 -10.874 -16.384 1.00 0.00 H new ATOM 0 HB3 HIS A 36 -6.008 -11.520 -16.525 1.00 0.00 H new ATOM 0 HD2 HIS A 36 -2.563 -12.895 -15.909 1.00 0.00 H new ATOM 0 HE1 HIS A 36 -4.635 -16.067 -17.772 1.00 0.00 H new ATOM 0 HE2 HIS A 36 -2.520 -15.474 -16.455 1.00 0.00 H new ATOM 588 N GLU A 37 -7.467 -10.481 -18.491 1.00 0.00 N ATOM 589 CA GLU A 37 -8.634 -9.558 -18.598 1.00 0.00 C ATOM 590 C GLU A 37 -9.209 -9.304 -17.203 1.00 0.00 C ATOM 591 O GLU A 37 -9.240 -10.184 -16.367 1.00 0.00 O ATOM 592 CB GLU A 37 -9.707 -10.196 -19.484 1.00 0.00 C ATOM 593 CG GLU A 37 -9.966 -11.631 -19.017 1.00 0.00 C ATOM 594 CD GLU A 37 -11.242 -12.160 -19.674 1.00 0.00 C ATOM 595 OE1 GLU A 37 -12.220 -11.431 -19.693 1.00 0.00 O ATOM 596 OE2 GLU A 37 -11.219 -13.284 -20.148 1.00 0.00 O ATOM 0 H GLU A 37 -7.703 -11.467 -18.384 1.00 0.00 H new ATOM 0 HA GLU A 37 -8.314 -8.613 -19.038 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -10.628 -9.614 -19.435 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -9.383 -10.194 -20.525 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -9.120 -12.267 -19.277 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -10.065 -11.659 -17.932 1.00 0.00 H new ATOM 603 N GLY A 38 -9.662 -8.106 -16.940 1.00 0.00 N ATOM 604 CA GLY A 38 -10.228 -7.809 -15.593 1.00 0.00 C ATOM 605 C GLY A 38 -11.238 -6.664 -15.691 1.00 0.00 C ATOM 606 O GLY A 38 -11.425 -6.072 -16.735 1.00 0.00 O ATOM 0 H GLY A 38 -9.664 -7.325 -17.596 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -10.712 -8.698 -15.189 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -9.427 -7.541 -14.904 1.00 0.00 H new ATOM 610 N ILE A 39 -11.888 -6.345 -14.602 1.00 0.00 N ATOM 611 CA ILE A 39 -12.885 -5.237 -14.620 1.00 0.00 C ATOM 612 C ILE A 39 -12.218 -3.966 -14.088 1.00 0.00 C ATOM 613 O ILE A 39 -11.271 -4.028 -13.329 1.00 0.00 O ATOM 614 CB ILE A 39 -14.072 -5.609 -13.725 1.00 0.00 C ATOM 615 CG1 ILE A 39 -14.760 -6.855 -14.287 1.00 0.00 C ATOM 616 CG2 ILE A 39 -15.073 -4.454 -13.686 1.00 0.00 C ATOM 617 CD1 ILE A 39 -14.258 -8.095 -13.543 1.00 0.00 C ATOM 0 H ILE A 39 -11.770 -6.806 -13.700 1.00 0.00 H new ATOM 0 HA ILE A 39 -13.241 -5.069 -15.637 1.00 0.00 H new ATOM 0 HB ILE A 39 -13.713 -5.810 -12.716 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -15.841 -6.766 -14.179 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -14.552 -6.949 -15.353 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -15.915 -4.724 -13.048 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -14.586 -3.564 -13.287 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -15.432 -4.250 -14.695 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -14.748 -8.983 -13.943 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -13.180 -8.186 -13.673 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -14.488 -8.001 -12.482 1.00 0.00 H new ATOM 629 N VAL A 40 -12.687 -2.815 -14.485 1.00 0.00 N ATOM 630 CA VAL A 40 -12.052 -1.556 -14.000 1.00 0.00 C ATOM 631 C VAL A 40 -12.927 -0.896 -12.932 1.00 0.00 C ATOM 632 O VAL A 40 -14.138 -0.957 -12.979 1.00 0.00 O ATOM 633 CB VAL A 40 -11.870 -0.592 -15.174 1.00 0.00 C ATOM 634 CG1 VAL A 40 -11.416 0.771 -14.650 1.00 0.00 C ATOM 635 CG2 VAL A 40 -10.811 -1.148 -16.128 1.00 0.00 C ATOM 0 H VAL A 40 -13.476 -2.691 -15.119 1.00 0.00 H new ATOM 0 HA VAL A 40 -11.082 -1.796 -13.564 1.00 0.00 H new ATOM 0 HB VAL A 40 -12.816 -0.481 -15.703 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -11.286 1.458 -15.487 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -12.168 1.168 -13.968 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -10.469 0.661 -14.121 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -10.680 -0.463 -16.965 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -9.865 -1.258 -15.597 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -11.133 -2.120 -16.502 1.00 0.00 H new ATOM 645 N TYR A 41 -12.316 -0.259 -11.971 1.00 0.00 N ATOM 646 CA TYR A 41 -13.101 0.419 -10.900 1.00 0.00 C ATOM 647 C TYR A 41 -12.344 1.671 -10.447 1.00 0.00 C ATOM 648 O TYR A 41 -11.343 2.042 -11.026 1.00 0.00 O ATOM 649 CB TYR A 41 -13.281 -0.531 -9.713 1.00 0.00 C ATOM 650 CG TYR A 41 -14.601 -0.246 -9.036 1.00 0.00 C ATOM 651 CD1 TYR A 41 -15.804 -0.500 -9.708 1.00 0.00 C ATOM 652 CD2 TYR A 41 -14.623 0.273 -7.734 1.00 0.00 C ATOM 653 CE1 TYR A 41 -17.029 -0.237 -9.079 1.00 0.00 C ATOM 654 CE2 TYR A 41 -15.847 0.537 -7.105 1.00 0.00 C ATOM 655 CZ TYR A 41 -17.050 0.283 -7.778 1.00 0.00 C ATOM 656 OH TYR A 41 -18.255 0.543 -7.158 1.00 0.00 O ATOM 0 H TYR A 41 -11.303 -0.178 -11.881 1.00 0.00 H new ATOM 0 HA TYR A 41 -14.082 0.699 -11.283 1.00 0.00 H new ATOM 0 HB2 TYR A 41 -13.251 -1.566 -10.054 1.00 0.00 H new ATOM 0 HB3 TYR A 41 -12.462 -0.405 -9.005 1.00 0.00 H new ATOM 0 HD1 TYR A 41 -15.788 -0.899 -10.712 1.00 0.00 H new ATOM 0 HD2 TYR A 41 -13.696 0.469 -7.215 1.00 0.00 H new ATOM 0 HE1 TYR A 41 -17.956 -0.435 -9.597 1.00 0.00 H new ATOM 0 HE2 TYR A 41 -15.863 0.936 -6.102 1.00 0.00 H new ATOM 0 HH TYR A 41 -18.091 0.899 -6.260 1.00 0.00 H new ATOM 666 N PHE A 42 -12.812 2.328 -9.422 1.00 0.00 N ATOM 667 CA PHE A 42 -12.111 3.554 -8.945 1.00 0.00 C ATOM 668 C PHE A 42 -11.997 3.517 -7.420 1.00 0.00 C ATOM 669 O PHE A 42 -12.860 3.004 -6.737 1.00 0.00 O ATOM 670 CB PHE A 42 -12.905 4.791 -9.365 1.00 0.00 C ATOM 671 CG PHE A 42 -11.997 5.996 -9.369 1.00 0.00 C ATOM 672 CD1 PHE A 42 -11.073 6.175 -10.408 1.00 0.00 C ATOM 673 CD2 PHE A 42 -12.077 6.937 -8.334 1.00 0.00 C ATOM 674 CE1 PHE A 42 -10.230 7.293 -10.412 1.00 0.00 C ATOM 675 CE2 PHE A 42 -11.234 8.057 -8.339 1.00 0.00 C ATOM 676 CZ PHE A 42 -10.311 8.235 -9.377 1.00 0.00 C ATOM 0 H PHE A 42 -13.647 2.070 -8.895 1.00 0.00 H new ATOM 0 HA PHE A 42 -11.114 3.595 -9.383 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -13.333 4.642 -10.356 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -13.737 4.952 -8.679 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -11.011 5.450 -11.206 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -12.788 6.800 -7.533 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -9.518 7.430 -11.212 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -11.296 8.783 -7.542 1.00 0.00 H new ATOM 0 HZ PHE A 42 -9.662 9.098 -9.380 1.00 0.00 H new ATOM 727 N ILE A 46 -6.854 6.456 -7.407 1.00 0.00 N ATOM 728 CA ILE A 46 -6.192 5.598 -8.428 1.00 0.00 C ATOM 729 C ILE A 46 -7.241 4.703 -9.092 1.00 0.00 C ATOM 730 O ILE A 46 -8.405 5.042 -9.155 1.00 0.00 O ATOM 731 CB ILE A 46 -5.126 4.733 -7.752 1.00 0.00 C ATOM 732 CG1 ILE A 46 -5.800 3.738 -6.806 1.00 0.00 C ATOM 733 CG2 ILE A 46 -4.176 5.629 -6.955 1.00 0.00 C ATOM 734 CD1 ILE A 46 -4.834 2.594 -6.497 1.00 0.00 C ATOM 0 HA ILE A 46 -5.719 6.224 -9.185 1.00 0.00 H new ATOM 0 HB ILE A 46 -4.564 4.189 -8.511 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -6.094 4.239 -5.884 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -6.710 3.347 -7.261 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -3.416 5.015 -6.472 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -3.696 6.339 -7.628 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -4.739 6.172 -6.196 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -5.314 1.885 -5.823 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -4.562 2.087 -7.423 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -3.936 2.993 -6.025 1.00 0.00 H new ATOM 746 N PHE A 47 -6.843 3.563 -9.587 1.00 0.00 N ATOM 747 CA PHE A 47 -7.829 2.660 -10.240 1.00 0.00 C ATOM 748 C PHE A 47 -7.868 1.323 -9.502 1.00 0.00 C ATOM 749 O PHE A 47 -6.958 0.980 -8.773 1.00 0.00 O ATOM 750 CB PHE A 47 -7.425 2.428 -11.696 1.00 0.00 C ATOM 751 CG PHE A 47 -8.193 3.372 -12.589 1.00 0.00 C ATOM 752 CD1 PHE A 47 -8.222 4.742 -12.299 1.00 0.00 C ATOM 753 CD2 PHE A 47 -8.878 2.877 -13.706 1.00 0.00 C ATOM 754 CE1 PHE A 47 -8.936 5.618 -13.128 1.00 0.00 C ATOM 755 CE2 PHE A 47 -9.592 3.753 -14.535 1.00 0.00 C ATOM 756 CZ PHE A 47 -9.621 5.123 -14.246 1.00 0.00 C ATOM 0 H PHE A 47 -5.883 3.220 -9.567 1.00 0.00 H new ATOM 0 HA PHE A 47 -8.817 3.120 -10.207 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -6.353 2.587 -11.817 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -7.628 1.396 -11.981 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -7.694 5.123 -11.437 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -8.856 1.820 -13.928 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -8.958 6.675 -12.905 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -10.120 3.372 -15.397 1.00 0.00 H new ATOM 0 HZ PHE A 47 -10.171 5.798 -14.885 1.00 0.00 H new ATOM 766 N LYS A 48 -8.913 0.564 -9.684 1.00 0.00 N ATOM 767 CA LYS A 48 -9.008 -0.749 -8.992 1.00 0.00 C ATOM 768 C LYS A 48 -9.385 -1.835 -10.003 1.00 0.00 C ATOM 769 O LYS A 48 -10.417 -1.772 -10.639 1.00 0.00 O ATOM 770 CB LYS A 48 -10.081 -0.674 -7.903 1.00 0.00 C ATOM 771 CG LYS A 48 -9.561 -1.335 -6.625 1.00 0.00 C ATOM 772 CD LYS A 48 -10.637 -2.258 -6.052 1.00 0.00 C ATOM 773 CE LYS A 48 -10.159 -2.833 -4.718 1.00 0.00 C ATOM 774 NZ LYS A 48 -9.860 -1.719 -3.775 1.00 0.00 N ATOM 0 H LYS A 48 -9.705 0.798 -10.283 1.00 0.00 H new ATOM 0 HA LYS A 48 -8.046 -0.991 -8.541 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -10.342 0.366 -7.706 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -10.990 -1.173 -8.239 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -8.656 -1.904 -6.840 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -9.293 -0.574 -5.893 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -11.566 -1.706 -5.910 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -10.849 -3.065 -6.753 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -10.924 -3.485 -4.296 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -9.269 -3.443 -4.871 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -9.917 -2.067 -2.797 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -8.903 -1.357 -3.958 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -10.552 -0.954 -3.911 1.00 0.00 H new ATOM 788 N VAL A 49 -8.555 -2.832 -10.154 1.00 0.00 N ATOM 789 CA VAL A 49 -8.868 -3.922 -11.120 1.00 0.00 C ATOM 790 C VAL A 49 -9.414 -5.129 -10.356 1.00 0.00 C ATOM 791 O VAL A 49 -8.806 -5.609 -9.419 1.00 0.00 O ATOM 792 CB VAL A 49 -7.596 -4.325 -11.869 1.00 0.00 C ATOM 793 CG1 VAL A 49 -7.965 -5.191 -13.074 1.00 0.00 C ATOM 794 CG2 VAL A 49 -6.870 -3.068 -12.352 1.00 0.00 C ATOM 0 H VAL A 49 -7.675 -2.938 -9.650 1.00 0.00 H new ATOM 0 HA VAL A 49 -9.612 -3.573 -11.836 1.00 0.00 H new ATOM 0 HB VAL A 49 -6.945 -4.889 -11.201 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -7.059 -5.478 -13.607 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -8.484 -6.087 -12.733 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -8.616 -4.627 -13.742 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -5.964 -3.354 -12.886 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -7.522 -2.505 -13.020 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -6.606 -2.448 -11.495 1.00 0.00 H new ATOM 804 N ARG A 50 -10.557 -5.624 -10.743 1.00 0.00 N ATOM 805 CA ARG A 50 -11.137 -6.796 -10.030 1.00 0.00 C ATOM 806 C ARG A 50 -10.971 -8.056 -10.884 1.00 0.00 C ATOM 807 O ARG A 50 -11.143 -8.030 -12.087 1.00 0.00 O ATOM 808 CB ARG A 50 -12.625 -6.550 -9.771 1.00 0.00 C ATOM 809 CG ARG A 50 -12.959 -6.928 -8.327 1.00 0.00 C ATOM 810 CD ARG A 50 -13.268 -5.661 -7.526 1.00 0.00 C ATOM 811 NE ARG A 50 -14.674 -5.711 -7.039 1.00 0.00 N ATOM 812 CZ ARG A 50 -14.918 -5.879 -5.768 1.00 0.00 C ATOM 813 NH1 ARG A 50 -14.652 -7.022 -5.198 1.00 0.00 N ATOM 814 NH2 ARG A 50 -15.427 -4.902 -5.066 1.00 0.00 N ATOM 0 H ARG A 50 -11.113 -5.268 -11.520 1.00 0.00 H new ATOM 0 HA ARG A 50 -10.618 -6.932 -9.081 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -12.868 -5.503 -9.950 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -13.228 -7.140 -10.462 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -13.815 -7.603 -8.305 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -12.122 -7.461 -7.876 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -12.583 -5.575 -6.683 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -13.119 -4.779 -8.149 1.00 0.00 H new ATOM 0 HE ARG A 50 -15.446 -5.614 -7.698 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -14.253 -7.784 -5.746 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -14.843 -7.153 -4.205 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -15.634 -4.008 -5.511 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -15.618 -5.033 -4.073 1.00 0.00 H new ATOM 828 N LEU A 51 -10.642 -9.160 -10.271 1.00 0.00 N ATOM 829 CA LEU A 51 -10.470 -10.420 -11.047 1.00 0.00 C ATOM 830 C LEU A 51 -11.699 -11.310 -10.850 1.00 0.00 C ATOM 831 O LEU A 51 -11.650 -12.308 -10.160 1.00 0.00 O ATOM 832 CB LEU A 51 -9.224 -11.158 -10.552 1.00 0.00 C ATOM 833 CG LEU A 51 -8.217 -11.285 -11.697 1.00 0.00 C ATOM 834 CD1 LEU A 51 -7.990 -9.915 -12.335 1.00 0.00 C ATOM 835 CD2 LEU A 51 -6.889 -11.815 -11.149 1.00 0.00 C ATOM 0 H LEU A 51 -10.485 -9.244 -9.267 1.00 0.00 H new ATOM 0 HA LEU A 51 -10.356 -10.183 -12.105 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -8.776 -10.618 -9.718 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -9.497 -12.146 -10.182 1.00 0.00 H new ATOM 0 HG LEU A 51 -8.606 -11.974 -12.446 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -7.272 -10.008 -13.150 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -8.934 -9.534 -12.724 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -7.601 -9.225 -11.586 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -6.170 -11.906 -11.963 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -6.503 -11.124 -10.400 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -7.048 -12.793 -10.694 1.00 0.00 H new ATOM 847 N LEU A 52 -12.804 -10.956 -11.450 1.00 0.00 N ATOM 848 CA LEU A 52 -14.034 -11.783 -11.295 1.00 0.00 C ATOM 849 C LEU A 52 -13.724 -13.233 -11.676 1.00 0.00 C ATOM 850 O LEU A 52 -12.684 -13.532 -12.226 1.00 0.00 O ATOM 851 CB LEU A 52 -15.136 -11.239 -12.208 1.00 0.00 C ATOM 852 CG LEU A 52 -16.501 -11.489 -11.566 1.00 0.00 C ATOM 853 CD1 LEU A 52 -17.302 -10.186 -11.542 1.00 0.00 C ATOM 854 CD2 LEU A 52 -17.262 -12.539 -12.380 1.00 0.00 C ATOM 0 H LEU A 52 -12.907 -10.130 -12.040 1.00 0.00 H new ATOM 0 HA LEU A 52 -14.370 -11.743 -10.259 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -14.991 -10.172 -12.375 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -15.087 -11.723 -13.183 1.00 0.00 H new ATOM 0 HG LEU A 52 -16.362 -11.848 -10.546 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -18.275 -10.365 -11.084 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -16.761 -9.437 -10.963 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -17.442 -9.826 -12.561 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -18.235 -12.718 -11.923 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -17.400 -12.179 -13.399 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -16.693 -13.468 -12.398 1.00 0.00 H new ATOM 866 N GLY A 53 -14.620 -14.136 -11.385 1.00 0.00 N ATOM 867 CA GLY A 53 -14.376 -15.566 -11.729 1.00 0.00 C ATOM 868 C GLY A 53 -13.657 -16.254 -10.566 1.00 0.00 C ATOM 869 O GLY A 53 -13.905 -17.404 -10.265 1.00 0.00 O ATOM 0 H GLY A 53 -15.510 -13.946 -10.924 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -15.321 -16.068 -11.935 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -13.774 -15.636 -12.635 1.00 0.00 H new ATOM 873 N TYR A 54 -12.772 -15.557 -9.909 1.00 0.00 N ATOM 874 CA TYR A 54 -12.041 -16.169 -8.764 1.00 0.00 C ATOM 875 C TYR A 54 -12.712 -15.752 -7.455 1.00 0.00 C ATOM 876 O TYR A 54 -12.643 -16.446 -6.461 1.00 0.00 O ATOM 877 CB TYR A 54 -10.588 -15.690 -8.768 1.00 0.00 C ATOM 878 CG TYR A 54 -9.715 -16.722 -8.096 1.00 0.00 C ATOM 879 CD1 TYR A 54 -9.641 -16.774 -6.698 1.00 0.00 C ATOM 880 CD2 TYR A 54 -8.981 -17.630 -8.872 1.00 0.00 C ATOM 881 CE1 TYR A 54 -8.831 -17.733 -6.075 1.00 0.00 C ATOM 882 CE2 TYR A 54 -8.172 -18.589 -8.248 1.00 0.00 C ATOM 883 CZ TYR A 54 -8.096 -18.640 -6.849 1.00 0.00 C ATOM 884 OH TYR A 54 -7.299 -19.585 -6.236 1.00 0.00 O ATOM 0 H TYR A 54 -12.523 -14.590 -10.115 1.00 0.00 H new ATOM 0 HA TYR A 54 -12.063 -17.255 -8.857 1.00 0.00 H new ATOM 0 HB2 TYR A 54 -10.251 -15.525 -9.791 1.00 0.00 H new ATOM 0 HB3 TYR A 54 -10.507 -14.736 -8.248 1.00 0.00 H new ATOM 0 HD1 TYR A 54 -10.208 -16.075 -6.101 1.00 0.00 H new ATOM 0 HD2 TYR A 54 -9.039 -17.590 -9.950 1.00 0.00 H new ATOM 0 HE1 TYR A 54 -8.773 -17.773 -4.997 1.00 0.00 H new ATOM 0 HE2 TYR A 54 -7.607 -19.289 -8.845 1.00 0.00 H new ATOM 0 HH TYR A 54 -6.860 -20.135 -6.918 1.00 0.00 H new ATOM 894 N GLU A 55 -13.364 -14.620 -7.448 1.00 0.00 N ATOM 895 CA GLU A 55 -14.040 -14.156 -6.205 1.00 0.00 C ATOM 896 C GLU A 55 -13.029 -14.116 -5.059 1.00 0.00 C ATOM 897 O GLU A 55 -13.379 -14.234 -3.902 1.00 0.00 O ATOM 898 CB GLU A 55 -15.176 -15.118 -5.853 1.00 0.00 C ATOM 899 CG GLU A 55 -16.258 -15.046 -6.932 1.00 0.00 C ATOM 900 CD GLU A 55 -16.437 -16.425 -7.570 1.00 0.00 C ATOM 901 OE1 GLU A 55 -15.657 -16.756 -8.448 1.00 0.00 O ATOM 902 OE2 GLU A 55 -17.351 -17.126 -7.170 1.00 0.00 O ATOM 0 H GLU A 55 -13.457 -13.997 -8.251 1.00 0.00 H new ATOM 0 HA GLU A 55 -14.447 -13.157 -6.363 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -14.794 -16.136 -5.774 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -15.598 -14.859 -4.882 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -17.199 -14.711 -6.496 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -15.980 -14.316 -7.692 1.00 0.00 H new ATOM 909 N GLY A 56 -11.775 -13.948 -5.373 1.00 0.00 N ATOM 910 CA GLY A 56 -10.736 -13.897 -4.309 1.00 0.00 C ATOM 911 C GLY A 56 -9.483 -13.223 -4.864 1.00 0.00 C ATOM 912 O GLY A 56 -8.382 -13.459 -4.404 1.00 0.00 O ATOM 0 H GLY A 56 -11.424 -13.843 -6.325 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -11.109 -13.345 -3.446 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -10.500 -14.904 -3.966 1.00 0.00 H new ATOM 916 N HIS A 57 -9.640 -12.386 -5.852 1.00 0.00 N ATOM 917 CA HIS A 57 -8.457 -11.697 -6.441 1.00 0.00 C ATOM 918 C HIS A 57 -8.737 -10.198 -6.548 1.00 0.00 C ATOM 919 O HIS A 57 -9.382 -9.739 -7.471 1.00 0.00 O ATOM 920 CB HIS A 57 -8.181 -12.264 -7.834 1.00 0.00 C ATOM 921 CG HIS A 57 -7.465 -13.581 -7.705 1.00 0.00 C ATOM 922 ND1 HIS A 57 -6.551 -14.041 -6.790 1.00 0.00 N flip ATOM 923 CD2 HIS A 57 -7.665 -14.622 -8.597 1.00 0.00 C flip ATOM 924 CE1 HIS A 57 -6.187 -15.347 -7.109 1.00 0.00 C flip ATOM 925 NE2 HIS A 57 -6.887 -15.647 -8.206 1.00 0.00 N flip ATOM 0 H HIS A 57 -10.536 -12.149 -6.277 1.00 0.00 H new ATOM 0 HA HIS A 57 -7.589 -11.858 -5.802 1.00 0.00 H new ATOM 0 HB2 HIS A 57 -9.117 -12.398 -8.376 1.00 0.00 H new ATOM 0 HB3 HIS A 57 -7.576 -11.564 -8.410 1.00 0.00 H new ATOM 0 HD2 HIS A 57 -8.326 -14.612 -9.451 1.00 0.00 H new ATOM 0 HE1 HIS A 57 -5.489 -15.981 -6.582 1.00 0.00 H new ATOM 0 HE2 HIS A 57 -6.838 -16.544 -8.689 1.00 0.00 H new ATOM 933 N GLU A 58 -8.251 -9.428 -5.611 1.00 0.00 N ATOM 934 CA GLU A 58 -8.483 -7.958 -5.659 1.00 0.00 C ATOM 935 C GLU A 58 -7.206 -7.264 -6.138 1.00 0.00 C ATOM 936 O GLU A 58 -6.227 -7.177 -5.422 1.00 0.00 O ATOM 937 CB GLU A 58 -8.848 -7.453 -4.261 1.00 0.00 C ATOM 938 CG GLU A 58 -9.129 -5.950 -4.317 1.00 0.00 C ATOM 939 CD GLU A 58 -9.496 -5.448 -2.919 1.00 0.00 C ATOM 940 OE1 GLU A 58 -10.081 -6.214 -2.171 1.00 0.00 O ATOM 941 OE2 GLU A 58 -9.185 -4.306 -2.620 1.00 0.00 O ATOM 0 H GLU A 58 -7.703 -9.755 -4.815 1.00 0.00 H new ATOM 0 HA GLU A 58 -9.300 -7.737 -6.346 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -9.724 -7.984 -3.889 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -8.033 -7.656 -3.566 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -8.252 -5.419 -4.687 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -9.943 -5.747 -5.013 1.00 0.00 H new ATOM 948 N CYS A 59 -7.207 -6.773 -7.346 1.00 0.00 N ATOM 949 CA CYS A 59 -5.993 -6.090 -7.871 1.00 0.00 C ATOM 950 C CYS A 59 -6.243 -4.584 -7.945 1.00 0.00 C ATOM 951 O CYS A 59 -7.370 -4.132 -7.984 1.00 0.00 O ATOM 952 CB CYS A 59 -5.674 -6.622 -9.269 1.00 0.00 C ATOM 953 SG CYS A 59 -5.897 -8.417 -9.300 1.00 0.00 S ATOM 0 H CYS A 59 -7.996 -6.815 -7.992 1.00 0.00 H new ATOM 0 HA CYS A 59 -5.152 -6.285 -7.205 1.00 0.00 H new ATOM 0 HB2 CYS A 59 -6.325 -6.152 -10.006 1.00 0.00 H new ATOM 0 HB3 CYS A 59 -4.650 -6.368 -9.541 1.00 0.00 H new ATOM 0 HG CYS A 59 -5.628 -8.867 -10.489 1.00 0.00 H new ATOM 959 N ILE A 60 -5.198 -3.807 -7.969 1.00 0.00 N ATOM 960 CA ILE A 60 -5.365 -2.331 -8.047 1.00 0.00 C ATOM 961 C ILE A 60 -4.525 -1.797 -9.206 1.00 0.00 C ATOM 962 O ILE A 60 -3.401 -2.213 -9.413 1.00 0.00 O ATOM 963 CB ILE A 60 -4.896 -1.694 -6.738 1.00 0.00 C ATOM 964 CG1 ILE A 60 -3.511 -2.238 -6.381 1.00 0.00 C ATOM 965 CG2 ILE A 60 -5.882 -2.041 -5.622 1.00 0.00 C ATOM 966 CD1 ILE A 60 -2.805 -1.260 -5.439 1.00 0.00 C ATOM 0 H ILE A 60 -4.232 -4.132 -7.938 1.00 0.00 H new ATOM 0 HA ILE A 60 -6.415 -2.086 -8.209 1.00 0.00 H new ATOM 0 HB ILE A 60 -4.846 -0.611 -6.854 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -3.604 -3.214 -5.906 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -2.920 -2.379 -7.286 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -5.549 -1.588 -4.688 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -6.870 -1.660 -5.878 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -5.930 -3.123 -5.503 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -1.818 -1.648 -5.185 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -2.699 -0.293 -5.931 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -3.394 -1.142 -4.529 1.00 0.00 H new ATOM 978 N LEU A 61 -5.058 -0.885 -9.970 1.00 0.00 N ATOM 979 CA LEU A 61 -4.283 -0.339 -11.117 1.00 0.00 C ATOM 980 C LEU A 61 -3.648 0.996 -10.728 1.00 0.00 C ATOM 981 O LEU A 61 -4.296 1.875 -10.191 1.00 0.00 O ATOM 982 CB LEU A 61 -5.214 -0.130 -12.311 1.00 0.00 C ATOM 983 CG LEU A 61 -4.405 0.406 -13.492 1.00 0.00 C ATOM 984 CD1 LEU A 61 -3.965 -0.758 -14.381 1.00 0.00 C ATOM 985 CD2 LEU A 61 -5.274 1.369 -14.306 1.00 0.00 C ATOM 0 H LEU A 61 -5.993 -0.496 -9.850 1.00 0.00 H new ATOM 0 HA LEU A 61 -3.498 -1.046 -11.385 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -5.695 -1.070 -12.581 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -6.007 0.571 -12.050 1.00 0.00 H new ATOM 0 HG LEU A 61 -3.525 0.931 -13.122 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -3.388 -0.375 -15.223 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -3.349 -1.446 -13.802 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -4.844 -1.284 -14.753 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -4.700 1.753 -15.149 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -6.153 0.842 -14.676 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -5.588 2.199 -13.673 1.00 0.00 H new ATOM 997 N LEU A 62 -2.383 1.150 -11.001 1.00 0.00 N ATOM 998 CA LEU A 62 -1.690 2.424 -10.659 1.00 0.00 C ATOM 999 C LEU A 62 -0.338 2.466 -11.370 1.00 0.00 C ATOM 1000 O LEU A 62 0.106 3.502 -11.823 1.00 0.00 O ATOM 1001 CB LEU A 62 -1.470 2.499 -9.148 1.00 0.00 C ATOM 1002 CG LEU A 62 -0.695 3.773 -8.809 1.00 0.00 C ATOM 1003 CD1 LEU A 62 -1.568 4.688 -7.949 1.00 0.00 C ATOM 1004 CD2 LEU A 62 0.575 3.408 -8.038 1.00 0.00 C ATOM 0 H LEU A 62 -1.796 0.446 -11.448 1.00 0.00 H new ATOM 0 HA LEU A 62 -2.301 3.268 -10.977 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -2.429 2.495 -8.629 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -0.919 1.623 -8.806 1.00 0.00 H new ATOM 0 HG LEU A 62 -0.425 4.289 -9.730 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -1.016 5.596 -7.707 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -2.473 4.949 -8.498 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -1.839 4.172 -7.028 1.00 0.00 H new ATOM 0 HD21 LEU A 62 1.128 4.316 -7.796 1.00 0.00 H new ATOM 0 HD22 LEU A 62 0.306 2.891 -7.117 1.00 0.00 H new ATOM 0 HD23 LEU A 62 1.198 2.756 -8.651 1.00 0.00 H new ATOM 1324 N VAL A 80 -15.918 3.603 -16.494 1.00 0.00 N ATOM 1325 CA VAL A 80 -15.332 2.703 -15.461 1.00 0.00 C ATOM 1326 C VAL A 80 -16.078 1.371 -15.476 1.00 0.00 C ATOM 1327 O VAL A 80 -17.140 1.248 -16.054 1.00 0.00 O ATOM 1328 CB VAL A 80 -15.462 3.341 -14.078 1.00 0.00 C ATOM 1329 CG1 VAL A 80 -14.846 2.415 -13.027 1.00 0.00 C ATOM 1330 CG2 VAL A 80 -14.729 4.684 -14.061 1.00 0.00 C ATOM 0 HA VAL A 80 -14.277 2.541 -15.681 1.00 0.00 H new ATOM 0 HB VAL A 80 -16.517 3.499 -13.852 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -14.939 2.871 -12.041 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -15.367 1.458 -13.035 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -13.792 2.256 -13.255 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -14.823 5.137 -13.074 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -13.675 4.526 -14.289 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -15.166 5.347 -14.808 1.00 0.00 H new ATOM 1340 N GLY A 81 -15.530 0.372 -14.847 1.00 0.00 N ATOM 1341 CA GLY A 81 -16.206 -0.955 -14.828 1.00 0.00 C ATOM 1342 C GLY A 81 -15.829 -1.736 -16.089 1.00 0.00 C ATOM 1343 O GLY A 81 -15.514 -2.908 -16.027 1.00 0.00 O ATOM 0 H GLY A 81 -14.643 0.415 -14.345 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -15.911 -1.513 -13.939 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -17.287 -0.824 -14.778 1.00 0.00 H new ATOM 1347 N ARG A 82 -15.864 -1.091 -17.229 1.00 0.00 N ATOM 1348 CA ARG A 82 -15.517 -1.777 -18.510 1.00 0.00 C ATOM 1349 C ARG A 82 -14.395 -2.793 -18.283 1.00 0.00 C ATOM 1350 O ARG A 82 -13.556 -2.627 -17.420 1.00 0.00 O ATOM 1351 CB ARG A 82 -15.059 -0.734 -19.531 1.00 0.00 C ATOM 1352 CG ARG A 82 -15.071 -1.350 -20.932 1.00 0.00 C ATOM 1353 CD ARG A 82 -16.106 -0.630 -21.798 1.00 0.00 C ATOM 1354 NE ARG A 82 -16.895 -1.635 -22.564 1.00 0.00 N ATOM 1355 CZ ARG A 82 -17.737 -1.245 -23.482 1.00 0.00 C ATOM 1356 NH1 ARG A 82 -17.312 -0.565 -24.512 1.00 0.00 N ATOM 1357 NH2 ARG A 82 -19.004 -1.537 -23.370 1.00 0.00 N ATOM 0 H ARG A 82 -16.121 -0.109 -17.326 1.00 0.00 H new ATOM 0 HA ARG A 82 -16.397 -2.302 -18.882 1.00 0.00 H new ATOM 0 HB2 ARG A 82 -15.716 0.135 -19.499 1.00 0.00 H new ATOM 0 HB3 ARG A 82 -14.056 -0.384 -19.285 1.00 0.00 H new ATOM 0 HG2 ARG A 82 -14.083 -1.269 -21.385 1.00 0.00 H new ATOM 0 HG3 ARG A 82 -15.308 -2.412 -20.872 1.00 0.00 H new ATOM 0 HD2 ARG A 82 -16.768 -0.032 -21.172 1.00 0.00 H new ATOM 0 HD3 ARG A 82 -15.609 0.057 -22.483 1.00 0.00 H new ATOM 0 HE ARG A 82 -16.777 -2.630 -22.371 1.00 0.00 H new ATOM 0 HH11 ARG A 82 -16.321 -0.338 -24.600 1.00 0.00 H new ATOM 0 HH12 ARG A 82 -17.970 -0.261 -25.229 1.00 0.00 H new ATOM 0 HH21 ARG A 82 -19.335 -2.069 -22.566 1.00 0.00 H new ATOM 0 HH22 ARG A 82 -19.663 -1.233 -24.087 1.00 0.00 H new ATOM 1371 N VAL A 83 -14.381 -3.848 -19.054 1.00 0.00 N ATOM 1372 CA VAL A 83 -13.322 -4.882 -18.887 1.00 0.00 C ATOM 1373 C VAL A 83 -12.223 -4.661 -19.928 1.00 0.00 C ATOM 1374 O VAL A 83 -12.488 -4.296 -21.057 1.00 0.00 O ATOM 1375 CB VAL A 83 -13.935 -6.270 -19.082 1.00 0.00 C ATOM 1376 CG1 VAL A 83 -12.850 -7.335 -18.917 1.00 0.00 C ATOM 1377 CG2 VAL A 83 -15.033 -6.492 -18.040 1.00 0.00 C ATOM 0 H VAL A 83 -15.059 -4.037 -19.793 1.00 0.00 H new ATOM 0 HA VAL A 83 -12.895 -4.807 -17.887 1.00 0.00 H new ATOM 0 HB VAL A 83 -14.363 -6.342 -20.082 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -13.287 -8.324 -19.056 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -12.068 -7.176 -19.660 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -12.421 -7.265 -17.918 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -15.471 -7.481 -18.178 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -14.605 -6.421 -17.040 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -15.806 -5.733 -18.159 1.00 0.00 H new ATOM 1387 N ILE A 84 -10.990 -4.879 -19.559 1.00 0.00 N ATOM 1388 CA ILE A 84 -9.876 -4.682 -20.529 1.00 0.00 C ATOM 1389 C ILE A 84 -8.736 -5.652 -20.206 1.00 0.00 C ATOM 1390 O ILE A 84 -8.733 -6.304 -19.180 1.00 0.00 O ATOM 1391 CB ILE A 84 -9.355 -3.244 -20.432 1.00 0.00 C ATOM 1392 CG1 ILE A 84 -8.559 -3.072 -19.133 1.00 0.00 C ATOM 1393 CG2 ILE A 84 -10.530 -2.262 -20.449 1.00 0.00 C ATOM 1394 CD1 ILE A 84 -9.446 -3.404 -17.931 1.00 0.00 C ATOM 0 H ILE A 84 -10.706 -5.185 -18.628 1.00 0.00 H new ATOM 0 HA ILE A 84 -10.243 -4.870 -21.538 1.00 0.00 H new ATOM 0 HB ILE A 84 -8.707 -3.040 -21.284 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -7.685 -3.724 -19.142 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -8.192 -2.049 -19.054 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -10.153 -1.242 -20.380 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -11.089 -2.380 -21.377 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -11.186 -2.465 -19.602 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -8.874 -3.280 -17.011 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -10.306 -2.734 -17.917 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -9.791 -4.435 -18.007 1.00 0.00 H new ATOM 1406 N LYS A 85 -7.764 -5.747 -21.072 1.00 0.00 N ATOM 1407 CA LYS A 85 -6.621 -6.666 -20.814 1.00 0.00 C ATOM 1408 C LYS A 85 -5.443 -5.859 -20.262 1.00 0.00 C ATOM 1409 O LYS A 85 -4.859 -5.045 -20.950 1.00 0.00 O ATOM 1410 CB LYS A 85 -6.209 -7.349 -22.119 1.00 0.00 C ATOM 1411 CG LYS A 85 -7.099 -8.571 -22.359 1.00 0.00 C ATOM 1412 CD LYS A 85 -6.313 -9.847 -22.048 1.00 0.00 C ATOM 1413 CE LYS A 85 -6.337 -10.770 -23.267 1.00 0.00 C ATOM 1414 NZ LYS A 85 -5.235 -10.392 -24.197 1.00 0.00 N ATOM 0 H LYS A 85 -7.713 -5.227 -21.948 1.00 0.00 H new ATOM 0 HA LYS A 85 -6.916 -7.425 -20.090 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -6.299 -6.651 -22.951 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -5.163 -7.652 -22.069 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -7.987 -8.516 -21.729 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -7.442 -8.586 -23.393 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -5.284 -9.599 -21.787 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -6.747 -10.354 -21.186 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -6.223 -11.808 -22.953 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -7.298 -10.694 -23.775 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -5.250 -11.019 -25.027 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -5.363 -9.407 -24.505 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -4.321 -10.486 -23.709 1.00 0.00 H new ATOM 1428 N THR A 86 -5.094 -6.074 -19.023 1.00 0.00 N ATOM 1429 CA THR A 86 -3.960 -5.313 -18.425 1.00 0.00 C ATOM 1430 C THR A 86 -2.834 -6.278 -18.051 1.00 0.00 C ATOM 1431 O THR A 86 -2.970 -7.480 -18.168 1.00 0.00 O ATOM 1432 CB THR A 86 -4.445 -4.586 -17.168 1.00 0.00 C ATOM 1433 OG1 THR A 86 -4.968 -5.537 -16.250 1.00 0.00 O ATOM 1434 CG2 THR A 86 -5.537 -3.585 -17.547 1.00 0.00 C ATOM 0 H THR A 86 -5.545 -6.743 -18.399 1.00 0.00 H new ATOM 0 HA THR A 86 -3.589 -4.587 -19.148 1.00 0.00 H new ATOM 0 HB THR A 86 -3.613 -4.054 -16.708 1.00 0.00 H new ATOM 0 HG1 THR A 86 -5.590 -5.092 -15.637 1.00 0.00 H new ATOM 0 HG21 THR A 86 -5.882 -3.067 -16.652 1.00 0.00 H new ATOM 0 HG22 THR A 86 -5.136 -2.859 -18.254 1.00 0.00 H new ATOM 0 HG23 THR A 86 -6.372 -4.114 -18.005 1.00 0.00 H new ATOM 1442 N ARG A 87 -1.721 -5.763 -17.601 1.00 0.00 N ATOM 1443 CA ARG A 87 -0.591 -6.657 -17.221 1.00 0.00 C ATOM 1444 C ARG A 87 -0.536 -6.792 -15.697 1.00 0.00 C ATOM 1445 O ARG A 87 -1.088 -5.985 -14.970 1.00 0.00 O ATOM 1446 CB ARG A 87 0.725 -6.063 -17.730 1.00 0.00 C ATOM 1447 CG ARG A 87 0.913 -6.425 -19.205 1.00 0.00 C ATOM 1448 CD ARG A 87 -0.260 -5.878 -20.021 1.00 0.00 C ATOM 1449 NE ARG A 87 0.242 -5.354 -21.322 1.00 0.00 N ATOM 1450 CZ ARG A 87 -0.069 -5.961 -22.436 1.00 0.00 C ATOM 1451 NH1 ARG A 87 -1.322 -6.135 -22.757 1.00 0.00 N ATOM 1452 NH2 ARG A 87 0.873 -6.394 -23.228 1.00 0.00 N ATOM 0 H ARG A 87 -1.547 -4.765 -17.481 1.00 0.00 H new ATOM 0 HA ARG A 87 -0.741 -7.640 -17.667 1.00 0.00 H new ATOM 0 HB2 ARG A 87 0.718 -4.980 -17.609 1.00 0.00 H new ATOM 0 HB3 ARG A 87 1.560 -6.444 -17.142 1.00 0.00 H new ATOM 0 HG2 ARG A 87 1.851 -6.011 -19.575 1.00 0.00 H new ATOM 0 HG3 ARG A 87 0.975 -7.507 -19.319 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -0.995 -6.664 -20.193 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -0.764 -5.086 -19.468 1.00 0.00 H new ATOM 0 HE ARG A 87 0.829 -4.520 -21.343 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -2.059 -5.797 -22.138 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -1.564 -6.609 -23.627 1.00 0.00 H new ATOM 0 HH21 ARG A 87 1.852 -6.259 -22.977 1.00 0.00 H new ATOM 0 HH22 ARG A 87 0.630 -6.868 -24.098 1.00 0.00 H new ATOM 1466 N VAL A 88 0.133 -7.802 -15.208 1.00 0.00 N ATOM 1467 CA VAL A 88 0.225 -7.992 -13.734 1.00 0.00 C ATOM 1468 C VAL A 88 1.538 -7.396 -13.238 1.00 0.00 C ATOM 1469 O VAL A 88 2.605 -7.728 -13.715 1.00 0.00 O ATOM 1470 CB VAL A 88 0.188 -9.486 -13.407 1.00 0.00 C ATOM 1471 CG1 VAL A 88 0.294 -9.682 -11.894 1.00 0.00 C ATOM 1472 CG2 VAL A 88 -1.129 -10.085 -13.907 1.00 0.00 C ATOM 0 H VAL A 88 0.619 -8.503 -15.767 1.00 0.00 H new ATOM 0 HA VAL A 88 -0.614 -7.496 -13.246 1.00 0.00 H new ATOM 0 HB VAL A 88 1.024 -9.985 -13.897 1.00 0.00 H new ATOM 0 HG11 VAL A 88 0.268 -10.747 -11.662 1.00 0.00 H new ATOM 0 HG12 VAL A 88 1.232 -9.256 -11.537 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -0.541 -9.183 -11.403 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -1.156 -11.150 -13.674 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -1.965 -9.585 -13.418 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -1.205 -9.947 -14.986 1.00 0.00 H new ATOM 1482 N VAL A 89 1.468 -6.501 -12.292 1.00 0.00 N ATOM 1483 CA VAL A 89 2.710 -5.869 -11.778 1.00 0.00 C ATOM 1484 C VAL A 89 3.333 -6.742 -10.685 1.00 0.00 C ATOM 1485 O VAL A 89 4.538 -6.866 -10.593 1.00 0.00 O ATOM 1486 CB VAL A 89 2.376 -4.495 -11.202 1.00 0.00 C ATOM 1487 CG1 VAL A 89 3.632 -3.878 -10.582 1.00 0.00 C ATOM 1488 CG2 VAL A 89 1.862 -3.587 -12.318 1.00 0.00 C ATOM 0 H VAL A 89 0.604 -6.182 -11.854 1.00 0.00 H new ATOM 0 HA VAL A 89 3.422 -5.764 -12.597 1.00 0.00 H new ATOM 0 HB VAL A 89 1.609 -4.601 -10.435 1.00 0.00 H new ATOM 0 HG11 VAL A 89 3.391 -2.897 -10.172 1.00 0.00 H new ATOM 0 HG12 VAL A 89 4.000 -4.525 -9.785 1.00 0.00 H new ATOM 0 HG13 VAL A 89 4.401 -3.772 -11.347 1.00 0.00 H new ATOM 0 HG21 VAL A 89 1.623 -2.606 -11.908 1.00 0.00 H new ATOM 0 HG22 VAL A 89 2.630 -3.483 -13.085 1.00 0.00 H new ATOM 0 HG23 VAL A 89 0.966 -4.024 -12.759 1.00 0.00 H new ATOM 1498 N ARG A 90 2.527 -7.344 -9.853 1.00 0.00 N ATOM 1499 CA ARG A 90 3.088 -8.199 -8.769 1.00 0.00 C ATOM 1500 C ARG A 90 1.952 -8.725 -7.889 1.00 0.00 C ATOM 1501 O ARG A 90 1.411 -8.013 -7.066 1.00 0.00 O ATOM 1502 CB ARG A 90 4.048 -7.369 -7.915 1.00 0.00 C ATOM 1503 CG ARG A 90 5.176 -8.264 -7.397 1.00 0.00 C ATOM 1504 CD ARG A 90 6.272 -7.396 -6.775 1.00 0.00 C ATOM 1505 NE ARG A 90 6.424 -7.743 -5.335 1.00 0.00 N ATOM 1506 CZ ARG A 90 6.441 -6.798 -4.433 1.00 0.00 C ATOM 1507 NH1 ARG A 90 5.341 -6.161 -4.135 1.00 0.00 N ATOM 1508 NH2 ARG A 90 7.557 -6.490 -3.830 1.00 0.00 N ATOM 0 H ARG A 90 1.509 -7.281 -9.877 1.00 0.00 H new ATOM 0 HA ARG A 90 3.623 -9.040 -9.211 1.00 0.00 H new ATOM 0 HB2 ARG A 90 4.461 -6.550 -8.505 1.00 0.00 H new ATOM 0 HB3 ARG A 90 3.512 -6.921 -7.078 1.00 0.00 H new ATOM 0 HG2 ARG A 90 4.788 -8.964 -6.657 1.00 0.00 H new ATOM 0 HG3 ARG A 90 5.587 -8.858 -8.213 1.00 0.00 H new ATOM 0 HD2 ARG A 90 7.215 -7.552 -7.299 1.00 0.00 H new ATOM 0 HD3 ARG A 90 6.019 -6.341 -6.881 1.00 0.00 H new ATOM 0 HE ARG A 90 6.515 -8.719 -5.053 1.00 0.00 H new ATOM 0 HH11 ARG A 90 4.469 -6.401 -4.606 1.00 0.00 H new ATOM 0 HH12 ARG A 90 5.354 -5.423 -3.431 1.00 0.00 H new ATOM 0 HH21 ARG A 90 8.417 -6.987 -4.063 1.00 0.00 H new ATOM 0 HH22 ARG A 90 7.569 -5.752 -3.126 1.00 0.00 H new ATOM 1522 N ALA A 91 1.592 -9.967 -8.052 1.00 0.00 N ATOM 1523 CA ALA A 91 0.498 -10.543 -7.221 1.00 0.00 C ATOM 1524 C ALA A 91 1.105 -11.350 -6.071 1.00 0.00 C ATOM 1525 O ALA A 91 1.883 -12.260 -6.283 1.00 0.00 O ATOM 1526 CB ALA A 91 -0.371 -11.460 -8.083 1.00 0.00 C ATOM 0 H ALA A 91 2.009 -10.609 -8.726 1.00 0.00 H new ATOM 0 HA ALA A 91 -0.115 -9.737 -6.818 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -1.171 -11.881 -7.474 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -0.803 -10.887 -8.903 1.00 0.00 H new ATOM 0 HB3 ALA A 91 0.241 -12.267 -8.487 1.00 0.00 H new ATOM 1532 N ASP A 92 0.760 -11.025 -4.854 1.00 0.00 N ATOM 1533 CA ASP A 92 1.323 -11.775 -3.696 1.00 0.00 C ATOM 1534 C ASP A 92 0.199 -12.514 -2.966 1.00 0.00 C ATOM 1535 O ASP A 92 0.428 -13.495 -2.287 1.00 0.00 O ATOM 1536 CB ASP A 92 1.999 -10.796 -2.734 1.00 0.00 C ATOM 1537 CG ASP A 92 3.341 -10.353 -3.318 1.00 0.00 C ATOM 1538 OD1 ASP A 92 4.083 -11.211 -3.765 1.00 0.00 O ATOM 1539 OD2 ASP A 92 3.605 -9.162 -3.306 1.00 0.00 O ATOM 0 H ASP A 92 0.114 -10.274 -4.613 1.00 0.00 H new ATOM 0 HA ASP A 92 2.056 -12.497 -4.055 1.00 0.00 H new ATOM 0 HB2 ASP A 92 1.358 -9.930 -2.570 1.00 0.00 H new ATOM 0 HB3 ASP A 92 2.151 -11.269 -1.764 1.00 0.00 H new ATOM 1544 N GLY A 93 -1.014 -12.052 -3.099 1.00 0.00 N ATOM 1545 CA GLY A 93 -2.147 -12.731 -2.410 1.00 0.00 C ATOM 1546 C GLY A 93 -3.462 -12.045 -2.787 1.00 0.00 C ATOM 1547 O GLY A 93 -3.690 -11.703 -3.929 1.00 0.00 O ATOM 0 H GLY A 93 -1.269 -11.235 -3.654 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -2.180 -13.783 -2.693 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -2.003 -12.695 -1.330 1.00 0.00 H new ATOM 1551 N LEU A 94 -4.329 -11.843 -1.833 1.00 0.00 N ATOM 1552 CA LEU A 94 -5.630 -11.181 -2.135 1.00 0.00 C ATOM 1553 C LEU A 94 -5.375 -9.811 -2.768 1.00 0.00 C ATOM 1554 O LEU A 94 -6.131 -9.351 -3.601 1.00 0.00 O ATOM 1555 CB LEU A 94 -6.423 -11.008 -0.838 1.00 0.00 C ATOM 1556 CG LEU A 94 -7.520 -12.072 -0.766 1.00 0.00 C ATOM 1557 CD1 LEU A 94 -6.890 -13.463 -0.872 1.00 0.00 C ATOM 1558 CD2 LEU A 94 -8.262 -11.949 0.566 1.00 0.00 C ATOM 0 H LEU A 94 -4.193 -12.108 -0.857 1.00 0.00 H new ATOM 0 HA LEU A 94 -6.199 -11.797 -2.831 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -5.759 -11.096 0.022 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -6.864 -10.012 -0.799 1.00 0.00 H new ATOM 0 HG LEU A 94 -8.221 -11.927 -1.588 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -7.671 -14.221 -0.821 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -6.360 -13.551 -1.821 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -6.189 -13.608 -0.050 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -9.044 -12.707 0.618 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -7.561 -12.094 1.388 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -8.711 -10.959 0.642 1.00 0.00 H new ATOM 1570 N TYR A 95 -4.315 -9.157 -2.382 1.00 0.00 N ATOM 1571 CA TYR A 95 -4.012 -7.818 -2.963 1.00 0.00 C ATOM 1572 C TYR A 95 -2.962 -7.969 -4.068 1.00 0.00 C ATOM 1573 O TYR A 95 -1.949 -8.616 -3.889 1.00 0.00 O ATOM 1574 CB TYR A 95 -3.469 -6.899 -1.867 1.00 0.00 C ATOM 1575 CG TYR A 95 -4.619 -6.288 -1.103 1.00 0.00 C ATOM 1576 CD1 TYR A 95 -5.838 -6.974 -1.004 1.00 0.00 C ATOM 1577 CD2 TYR A 95 -4.468 -5.037 -0.491 1.00 0.00 C ATOM 1578 CE1 TYR A 95 -6.905 -6.406 -0.294 1.00 0.00 C ATOM 1579 CE2 TYR A 95 -5.534 -4.470 0.219 1.00 0.00 C ATOM 1580 CZ TYR A 95 -6.753 -5.154 0.318 1.00 0.00 C ATOM 1581 OH TYR A 95 -7.803 -4.596 1.017 1.00 0.00 O ATOM 0 H TYR A 95 -3.645 -9.491 -1.689 1.00 0.00 H new ATOM 0 HA TYR A 95 -4.922 -7.387 -3.381 1.00 0.00 H new ATOM 0 HB2 TYR A 95 -2.828 -7.463 -1.190 1.00 0.00 H new ATOM 0 HB3 TYR A 95 -2.854 -6.114 -2.308 1.00 0.00 H new ATOM 0 HD1 TYR A 95 -5.955 -7.939 -1.474 1.00 0.00 H new ATOM 0 HD2 TYR A 95 -3.529 -4.509 -0.567 1.00 0.00 H new ATOM 0 HE1 TYR A 95 -7.845 -6.933 -0.218 1.00 0.00 H new ATOM 0 HE2 TYR A 95 -5.416 -3.505 0.690 1.00 0.00 H new ATOM 0 HH TYR A 95 -7.530 -3.727 1.379 1.00 0.00 H new ATOM 1591 N VAL A 96 -3.197 -7.383 -5.210 1.00 0.00 N ATOM 1592 CA VAL A 96 -2.209 -7.503 -6.321 1.00 0.00 C ATOM 1593 C VAL A 96 -1.995 -6.139 -6.983 1.00 0.00 C ATOM 1594 O VAL A 96 -2.822 -5.255 -6.892 1.00 0.00 O ATOM 1595 CB VAL A 96 -2.736 -8.492 -7.362 1.00 0.00 C ATOM 1596 CG1 VAL A 96 -1.736 -8.603 -8.513 1.00 0.00 C ATOM 1597 CG2 VAL A 96 -2.919 -9.866 -6.713 1.00 0.00 C ATOM 0 H VAL A 96 -4.026 -6.828 -5.422 1.00 0.00 H new ATOM 0 HA VAL A 96 -1.260 -7.858 -5.918 1.00 0.00 H new ATOM 0 HB VAL A 96 -3.694 -8.139 -7.745 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -2.112 -9.308 -9.255 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -1.604 -7.625 -8.976 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -0.778 -8.955 -8.130 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -3.295 -10.571 -7.454 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -1.961 -10.218 -6.330 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -3.632 -9.789 -5.892 1.00 0.00 H new ATOM 1607 N ASP A 97 -0.888 -5.968 -7.658 1.00 0.00 N ATOM 1608 CA ASP A 97 -0.614 -4.670 -8.339 1.00 0.00 C ATOM 1609 C ASP A 97 -0.962 -4.811 -9.824 1.00 0.00 C ATOM 1610 O ASP A 97 -0.918 -5.894 -10.374 1.00 0.00 O ATOM 1611 CB ASP A 97 0.866 -4.315 -8.178 1.00 0.00 C ATOM 1612 CG ASP A 97 1.139 -2.937 -8.787 1.00 0.00 C ATOM 1613 OD1 ASP A 97 0.825 -2.751 -9.951 1.00 0.00 O ATOM 1614 OD2 ASP A 97 1.654 -2.090 -8.077 1.00 0.00 O ATOM 0 H ASP A 97 -0.160 -6.674 -7.767 1.00 0.00 H new ATOM 0 HA ASP A 97 -1.217 -3.877 -7.897 1.00 0.00 H new ATOM 0 HB2 ASP A 97 1.137 -4.316 -7.122 1.00 0.00 H new ATOM 0 HB3 ASP A 97 1.485 -5.068 -8.666 1.00 0.00 H new ATOM 1619 N LEU A 98 -1.327 -3.739 -10.478 1.00 0.00 N ATOM 1620 CA LEU A 98 -1.698 -3.851 -11.920 1.00 0.00 C ATOM 1621 C LEU A 98 -1.158 -2.664 -12.721 1.00 0.00 C ATOM 1622 O LEU A 98 -1.190 -1.531 -12.279 1.00 0.00 O ATOM 1623 CB LEU A 98 -3.224 -3.867 -12.034 1.00 0.00 C ATOM 1624 CG LEU A 98 -3.682 -5.111 -12.798 1.00 0.00 C ATOM 1625 CD1 LEU A 98 -3.345 -4.947 -14.280 1.00 0.00 C ATOM 1626 CD2 LEU A 98 -2.968 -6.345 -12.243 1.00 0.00 C ATOM 0 H LEU A 98 -1.384 -2.801 -10.082 1.00 0.00 H new ATOM 0 HA LEU A 98 -1.266 -4.768 -12.321 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -3.671 -3.857 -11.040 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -3.567 -2.969 -12.547 1.00 0.00 H new ATOM 0 HG LEU A 98 -4.759 -5.235 -12.681 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -3.670 -5.832 -14.827 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -3.856 -4.069 -14.674 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -2.268 -4.823 -14.397 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -3.295 -7.230 -12.788 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -1.891 -6.225 -12.359 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -3.209 -6.460 -11.186 1.00 0.00 H new ATOM 1638 N ARG A 99 -0.682 -2.920 -13.914 1.00 0.00 N ATOM 1639 CA ARG A 99 -0.164 -1.813 -14.767 1.00 0.00 C ATOM 1640 C ARG A 99 -0.870 -1.854 -16.123 1.00 0.00 C ATOM 1641 O ARG A 99 -0.794 -2.832 -16.845 1.00 0.00 O ATOM 1642 CB ARG A 99 1.342 -1.976 -14.976 1.00 0.00 C ATOM 1643 CG ARG A 99 1.613 -3.273 -15.738 1.00 0.00 C ATOM 1644 CD ARG A 99 3.087 -3.651 -15.594 1.00 0.00 C ATOM 1645 NE ARG A 99 3.823 -3.256 -16.827 1.00 0.00 N ATOM 1646 CZ ARG A 99 4.550 -4.133 -17.462 1.00 0.00 C ATOM 1647 NH1 ARG A 99 3.976 -5.060 -18.180 1.00 0.00 N ATOM 1648 NH2 ARG A 99 5.851 -4.084 -17.380 1.00 0.00 N ATOM 0 H ARG A 99 -0.631 -3.849 -14.332 1.00 0.00 H new ATOM 0 HA ARG A 99 -0.355 -0.859 -14.276 1.00 0.00 H new ATOM 0 HB2 ARG A 99 1.737 -1.126 -15.532 1.00 0.00 H new ATOM 0 HB3 ARG A 99 1.854 -1.993 -14.014 1.00 0.00 H new ATOM 0 HG2 ARG A 99 0.982 -4.073 -15.351 1.00 0.00 H new ATOM 0 HG3 ARG A 99 1.360 -3.148 -16.791 1.00 0.00 H new ATOM 0 HD2 ARG A 99 3.518 -3.153 -14.725 1.00 0.00 H new ATOM 0 HD3 ARG A 99 3.184 -4.724 -15.428 1.00 0.00 H new ATOM 0 HE ARG A 99 3.758 -2.299 -17.175 1.00 0.00 H new ATOM 0 HH11 ARG A 99 2.959 -5.098 -18.244 1.00 0.00 H new ATOM 0 HH12 ARG A 99 4.545 -5.746 -18.677 1.00 0.00 H new ATOM 0 HH21 ARG A 99 6.300 -3.360 -16.819 1.00 0.00 H new ATOM 0 HH22 ARG A 99 6.420 -4.770 -17.877 1.00 0.00 H new ATOM 1662 N ARG A 100 -1.559 -0.805 -16.475 1.00 0.00 N ATOM 1663 CA ARG A 100 -2.271 -0.787 -17.784 1.00 0.00 C ATOM 1664 C ARG A 100 -1.252 -0.666 -18.918 1.00 0.00 C ATOM 1665 O ARG A 100 -0.109 -0.313 -18.704 1.00 0.00 O ATOM 1666 CB ARG A 100 -3.226 0.409 -17.828 1.00 0.00 C ATOM 1667 CG ARG A 100 -4.463 0.044 -18.651 1.00 0.00 C ATOM 1668 CD ARG A 100 -5.659 0.861 -18.163 1.00 0.00 C ATOM 1669 NE ARG A 100 -6.865 0.501 -18.962 1.00 0.00 N ATOM 1670 CZ ARG A 100 -7.425 1.391 -19.735 1.00 0.00 C ATOM 1671 NH1 ARG A 100 -6.817 1.789 -20.819 1.00 0.00 N ATOM 1672 NH2 ARG A 100 -8.594 1.882 -19.424 1.00 0.00 N ATOM 0 H ARG A 100 -1.660 0.041 -15.914 1.00 0.00 H new ATOM 0 HA ARG A 100 -2.838 -1.711 -17.902 1.00 0.00 H new ATOM 0 HB2 ARG A 100 -3.519 0.691 -16.817 1.00 0.00 H new ATOM 0 HB3 ARG A 100 -2.725 1.272 -18.267 1.00 0.00 H new ATOM 0 HG2 ARG A 100 -4.281 0.241 -19.708 1.00 0.00 H new ATOM 0 HG3 ARG A 100 -4.674 -1.021 -18.557 1.00 0.00 H new ATOM 0 HD2 ARG A 100 -5.839 0.667 -17.106 1.00 0.00 H new ATOM 0 HD3 ARG A 100 -5.450 1.926 -18.260 1.00 0.00 H new ATOM 0 HE ARG A 100 -7.252 -0.441 -18.905 1.00 0.00 H new ATOM 0 HH11 ARG A 100 -5.904 1.404 -21.062 1.00 0.00 H new ATOM 0 HH12 ARG A 100 -7.255 2.485 -21.423 1.00 0.00 H new ATOM 0 HH21 ARG A 100 -9.069 1.570 -18.577 1.00 0.00 H new ATOM 0 HH22 ARG A 100 -9.032 2.578 -20.028 1.00 0.00 H new