USER MOD reduce.3.24.130724 H: found=0, std=0, add=410, rem=0, adj=7 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= -0.677 X(o=-0.68,f=-0.39) USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 HIS : no HD1:sc= -2.5 X(o=-2.5,f=-2.4) USER MOD Single : A 59 CYS SG : rot -100:sc= -0.904 USER MOD Single : A 85 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0216) USER MOD Single : A 86 THR OG1 : rot -160:sc= -3.8! USER MOD Single : A 95 TYR OH : rot 67:sc= 0.00157 USER MOD ----------------------------------------------------------------- ATOM 537 N GLY A 33 5.142 -9.224 -15.433 1.00 0.00 N ATOM 538 CA GLY A 33 4.771 -8.835 -16.823 1.00 0.00 C ATOM 539 C GLY A 33 3.848 -9.896 -17.424 1.00 0.00 C ATOM 540 O GLY A 33 4.288 -10.808 -18.095 1.00 0.00 O ATOM 0 HA2 GLY A 33 4.273 -7.865 -16.819 1.00 0.00 H new ATOM 0 HA3 GLY A 33 5.668 -8.731 -17.434 1.00 0.00 H new ATOM 544 N SER A 34 2.569 -9.783 -17.189 1.00 0.00 N ATOM 545 CA SER A 34 1.617 -10.784 -17.747 1.00 0.00 C ATOM 546 C SER A 34 0.371 -10.064 -18.264 1.00 0.00 C ATOM 547 O SER A 34 0.143 -8.909 -17.963 1.00 0.00 O ATOM 548 CB SER A 34 1.215 -11.774 -16.655 1.00 0.00 C ATOM 549 OG SER A 34 2.340 -12.568 -16.303 1.00 0.00 O ATOM 0 H SER A 34 2.143 -9.041 -16.635 1.00 0.00 H new ATOM 0 HA SER A 34 2.095 -11.323 -18.565 1.00 0.00 H new ATOM 0 HB2 SER A 34 0.846 -11.238 -15.781 1.00 0.00 H new ATOM 0 HB3 SER A 34 0.402 -12.410 -17.006 1.00 0.00 H new ATOM 0 HG SER A 34 2.086 -13.203 -15.601 1.00 0.00 H new ATOM 555 N VAL A 35 -0.439 -10.733 -19.038 1.00 0.00 N ATOM 556 CA VAL A 35 -1.669 -10.080 -19.568 1.00 0.00 C ATOM 557 C VAL A 35 -2.899 -10.879 -19.134 1.00 0.00 C ATOM 558 O VAL A 35 -2.857 -12.087 -19.017 1.00 0.00 O ATOM 559 CB VAL A 35 -1.608 -10.031 -21.095 1.00 0.00 C ATOM 560 CG1 VAL A 35 -0.386 -9.223 -21.532 1.00 0.00 C ATOM 561 CG2 VAL A 35 -1.503 -11.455 -21.646 1.00 0.00 C ATOM 0 H VAL A 35 -0.303 -11.702 -19.326 1.00 0.00 H new ATOM 0 HA VAL A 35 -1.736 -9.065 -19.175 1.00 0.00 H new ATOM 0 HB VAL A 35 -2.511 -9.558 -21.480 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -0.343 -9.188 -22.621 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -0.461 -8.209 -21.139 1.00 0.00 H new ATOM 0 HG13 VAL A 35 0.518 -9.695 -21.148 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -1.459 -11.422 -22.735 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -0.600 -11.928 -21.261 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -2.375 -12.031 -21.335 1.00 0.00 H new ATOM 571 N HIS A 36 -3.997 -10.215 -18.895 1.00 0.00 N ATOM 572 CA HIS A 36 -5.227 -10.938 -18.468 1.00 0.00 C ATOM 573 C HIS A 36 -6.426 -9.990 -18.526 1.00 0.00 C ATOM 574 O HIS A 36 -6.276 -8.788 -18.632 1.00 0.00 O ATOM 575 CB HIS A 36 -5.048 -11.448 -17.037 1.00 0.00 C ATOM 576 CG HIS A 36 -5.727 -12.781 -16.891 1.00 0.00 C ATOM 577 ND1 HIS A 36 -5.468 -13.840 -17.747 1.00 0.00 N ATOM 578 CD2 HIS A 36 -6.659 -13.242 -15.994 1.00 0.00 C ATOM 579 CE1 HIS A 36 -6.230 -14.876 -17.349 1.00 0.00 C ATOM 580 NE2 HIS A 36 -6.975 -14.566 -16.285 1.00 0.00 N ATOM 0 H HIS A 36 -4.095 -9.203 -18.977 1.00 0.00 H new ATOM 0 HA HIS A 36 -5.401 -11.782 -19.136 1.00 0.00 H new ATOM 0 HB2 HIS A 36 -3.988 -11.541 -16.803 1.00 0.00 H new ATOM 0 HB3 HIS A 36 -5.470 -10.734 -16.330 1.00 0.00 H new ATOM 0 HD2 HIS A 36 -7.083 -12.665 -15.185 1.00 0.00 H new ATOM 0 HE1 HIS A 36 -6.238 -15.842 -17.832 1.00 0.00 H new ATOM 0 HE2 HIS A 36 -7.633 -15.169 -15.792 1.00 0.00 H new ATOM 588 N GLU A 37 -7.616 -10.520 -18.457 1.00 0.00 N ATOM 589 CA GLU A 37 -8.826 -9.651 -18.506 1.00 0.00 C ATOM 590 C GLU A 37 -9.412 -9.520 -17.100 1.00 0.00 C ATOM 591 O GLU A 37 -9.472 -10.475 -16.352 1.00 0.00 O ATOM 592 CB GLU A 37 -9.865 -10.279 -19.438 1.00 0.00 C ATOM 593 CG GLU A 37 -11.157 -9.459 -19.390 1.00 0.00 C ATOM 594 CD GLU A 37 -11.968 -9.711 -20.663 1.00 0.00 C ATOM 595 OE1 GLU A 37 -11.855 -10.796 -21.209 1.00 0.00 O ATOM 596 OE2 GLU A 37 -12.688 -8.815 -21.070 1.00 0.00 O ATOM 0 H GLU A 37 -7.803 -11.519 -18.369 1.00 0.00 H new ATOM 0 HA GLU A 37 -8.554 -8.664 -18.880 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -9.481 -10.313 -20.458 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -10.064 -11.308 -19.138 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -11.742 -9.734 -18.513 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -10.924 -8.398 -19.298 1.00 0.00 H new ATOM 603 N GLY A 38 -9.842 -8.344 -16.731 1.00 0.00 N ATOM 604 CA GLY A 38 -10.417 -8.160 -15.369 1.00 0.00 C ATOM 605 C GLY A 38 -11.376 -6.969 -15.372 1.00 0.00 C ATOM 606 O GLY A 38 -11.526 -6.282 -16.362 1.00 0.00 O ATOM 0 H GLY A 38 -9.820 -7.506 -17.312 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -10.944 -9.063 -15.061 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -9.618 -7.995 -14.646 1.00 0.00 H new ATOM 610 N ILE A 39 -12.026 -6.720 -14.268 1.00 0.00 N ATOM 611 CA ILE A 39 -12.971 -5.572 -14.204 1.00 0.00 C ATOM 612 C ILE A 39 -12.256 -4.380 -13.570 1.00 0.00 C ATOM 613 O ILE A 39 -11.334 -4.541 -12.796 1.00 0.00 O ATOM 614 CB ILE A 39 -14.183 -5.954 -13.351 1.00 0.00 C ATOM 615 CG1 ILE A 39 -14.679 -7.341 -13.767 1.00 0.00 C ATOM 616 CG2 ILE A 39 -15.299 -4.930 -13.560 1.00 0.00 C ATOM 617 CD1 ILE A 39 -14.972 -7.350 -15.269 1.00 0.00 C ATOM 0 H ILE A 39 -11.943 -7.263 -13.408 1.00 0.00 H new ATOM 0 HA ILE A 39 -13.307 -5.312 -15.208 1.00 0.00 H new ATOM 0 HB ILE A 39 -13.898 -5.968 -12.299 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -13.928 -8.094 -13.528 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -15.579 -7.599 -13.209 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -16.162 -5.203 -12.952 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -14.946 -3.942 -13.266 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -15.586 -4.914 -14.611 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -15.325 -8.338 -15.565 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -15.738 -6.608 -15.495 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -14.062 -7.110 -15.819 1.00 0.00 H new ATOM 629 N VAL A 40 -12.656 -3.183 -13.899 1.00 0.00 N ATOM 630 CA VAL A 40 -11.973 -1.993 -13.318 1.00 0.00 C ATOM 631 C VAL A 40 -12.852 -1.357 -12.240 1.00 0.00 C ATOM 632 O VAL A 40 -14.014 -1.680 -12.100 1.00 0.00 O ATOM 633 CB VAL A 40 -11.702 -0.975 -14.426 1.00 0.00 C ATOM 634 CG1 VAL A 40 -10.834 0.161 -13.878 1.00 0.00 C ATOM 635 CG2 VAL A 40 -10.969 -1.665 -15.578 1.00 0.00 C ATOM 0 H VAL A 40 -13.422 -2.978 -14.541 1.00 0.00 H new ATOM 0 HA VAL A 40 -11.031 -2.305 -12.867 1.00 0.00 H new ATOM 0 HB VAL A 40 -12.647 -0.567 -14.785 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -10.642 0.886 -14.669 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -11.354 0.651 -13.055 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -9.888 -0.244 -13.520 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -10.774 -0.942 -16.370 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -10.024 -2.071 -15.217 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -11.586 -2.474 -15.969 1.00 0.00 H new ATOM 645 N TYR A 41 -12.300 -0.456 -11.473 1.00 0.00 N ATOM 646 CA TYR A 41 -13.097 0.205 -10.402 1.00 0.00 C ATOM 647 C TYR A 41 -12.477 1.566 -10.070 1.00 0.00 C ATOM 648 O TYR A 41 -11.348 1.845 -10.417 1.00 0.00 O ATOM 649 CB TYR A 41 -13.095 -0.675 -9.150 1.00 0.00 C ATOM 650 CG TYR A 41 -14.346 -0.411 -8.350 1.00 0.00 C ATOM 651 CD1 TYR A 41 -15.586 -0.869 -8.817 1.00 0.00 C ATOM 652 CD2 TYR A 41 -14.269 0.291 -7.140 1.00 0.00 C ATOM 653 CE1 TYR A 41 -16.748 -0.625 -8.075 1.00 0.00 C ATOM 654 CE2 TYR A 41 -15.430 0.535 -6.397 1.00 0.00 C ATOM 655 CZ TYR A 41 -16.670 0.078 -6.864 1.00 0.00 C ATOM 656 OH TYR A 41 -17.815 0.318 -6.131 1.00 0.00 O ATOM 0 H TYR A 41 -11.330 -0.149 -11.543 1.00 0.00 H new ATOM 0 HA TYR A 41 -14.122 0.347 -10.746 1.00 0.00 H new ATOM 0 HB2 TYR A 41 -13.045 -1.727 -9.432 1.00 0.00 H new ATOM 0 HB3 TYR A 41 -12.213 -0.465 -8.546 1.00 0.00 H new ATOM 0 HD1 TYR A 41 -15.645 -1.410 -9.750 1.00 0.00 H new ATOM 0 HD2 TYR A 41 -13.314 0.644 -6.780 1.00 0.00 H new ATOM 0 HE1 TYR A 41 -17.703 -0.978 -8.435 1.00 0.00 H new ATOM 0 HE2 TYR A 41 -15.370 1.075 -5.464 1.00 0.00 H new ATOM 0 HH TYR A 41 -17.585 0.816 -5.319 1.00 0.00 H new ATOM 666 N PHE A 42 -13.210 2.415 -9.401 1.00 0.00 N ATOM 667 CA PHE A 42 -12.666 3.758 -9.046 1.00 0.00 C ATOM 668 C PHE A 42 -12.361 3.801 -7.547 1.00 0.00 C ATOM 669 O PHE A 42 -13.102 3.277 -6.741 1.00 0.00 O ATOM 670 CB PHE A 42 -13.705 4.830 -9.385 1.00 0.00 C ATOM 671 CG PHE A 42 -13.036 5.977 -10.104 1.00 0.00 C ATOM 672 CD1 PHE A 42 -12.381 5.755 -11.323 1.00 0.00 C ATOM 673 CD2 PHE A 42 -13.071 7.264 -9.552 1.00 0.00 C ATOM 674 CE1 PHE A 42 -11.763 6.820 -11.990 1.00 0.00 C ATOM 675 CE2 PHE A 42 -12.454 8.329 -10.219 1.00 0.00 C ATOM 676 CZ PHE A 42 -11.799 8.108 -11.438 1.00 0.00 C ATOM 0 H PHE A 42 -14.163 2.236 -9.085 1.00 0.00 H new ATOM 0 HA PHE A 42 -11.752 3.944 -9.609 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -14.490 4.405 -10.010 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -14.183 5.189 -8.473 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -12.353 4.763 -11.748 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -13.574 7.435 -8.612 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -11.259 6.649 -12.930 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -12.483 9.321 -9.794 1.00 0.00 H new ATOM 0 HZ PHE A 42 -11.322 8.930 -11.952 1.00 0.00 H new ATOM 727 N ILE A 46 -7.388 6.670 -7.576 1.00 0.00 N ATOM 728 CA ILE A 46 -6.608 5.490 -8.040 1.00 0.00 C ATOM 729 C ILE A 46 -7.560 4.498 -8.705 1.00 0.00 C ATOM 730 O ILE A 46 -8.763 4.642 -8.636 1.00 0.00 O ATOM 731 CB ILE A 46 -5.920 4.823 -6.847 1.00 0.00 C ATOM 732 CG1 ILE A 46 -4.987 3.720 -7.351 1.00 0.00 C ATOM 733 CG2 ILE A 46 -6.975 4.212 -5.924 1.00 0.00 C ATOM 734 CD1 ILE A 46 -3.791 3.591 -6.406 1.00 0.00 C ATOM 0 HA ILE A 46 -5.849 5.809 -8.754 1.00 0.00 H new ATOM 0 HB ILE A 46 -5.344 5.567 -6.297 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -5.523 2.773 -7.407 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -4.644 3.952 -8.359 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -6.484 3.737 -5.075 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -7.643 4.996 -5.566 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -7.551 3.467 -6.473 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -3.127 2.805 -6.765 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -3.250 4.537 -6.373 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -4.143 3.339 -5.406 1.00 0.00 H new ATOM 746 N PHE A 47 -7.040 3.494 -9.351 1.00 0.00 N ATOM 747 CA PHE A 47 -7.933 2.508 -10.015 1.00 0.00 C ATOM 748 C PHE A 47 -7.833 1.164 -9.296 1.00 0.00 C ATOM 749 O PHE A 47 -6.834 0.848 -8.683 1.00 0.00 O ATOM 750 CB PHE A 47 -7.509 2.337 -11.474 1.00 0.00 C ATOM 751 CG PHE A 47 -8.177 3.395 -12.321 1.00 0.00 C ATOM 752 CD1 PHE A 47 -7.635 4.685 -12.386 1.00 0.00 C ATOM 753 CD2 PHE A 47 -9.339 3.086 -13.042 1.00 0.00 C ATOM 754 CE1 PHE A 47 -8.253 5.666 -13.172 1.00 0.00 C ATOM 755 CE2 PHE A 47 -9.958 4.068 -13.827 1.00 0.00 C ATOM 756 CZ PHE A 47 -9.415 5.357 -13.892 1.00 0.00 C ATOM 0 H PHE A 47 -6.041 3.314 -9.448 1.00 0.00 H new ATOM 0 HA PHE A 47 -8.962 2.866 -9.975 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -6.425 2.418 -11.561 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -7.784 1.344 -11.830 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -6.740 4.923 -11.830 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -9.757 2.091 -12.992 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -7.834 6.660 -13.223 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -10.854 3.831 -14.382 1.00 0.00 H new ATOM 0 HZ PHE A 47 -9.892 6.114 -14.497 1.00 0.00 H new ATOM 766 N LYS A 48 -8.862 0.370 -9.373 1.00 0.00 N ATOM 767 CA LYS A 48 -8.833 -0.960 -8.707 1.00 0.00 C ATOM 768 C LYS A 48 -9.260 -2.022 -9.718 1.00 0.00 C ATOM 769 O LYS A 48 -10.039 -1.761 -10.613 1.00 0.00 O ATOM 770 CB LYS A 48 -9.795 -0.961 -7.517 1.00 0.00 C ATOM 771 CG LYS A 48 -9.121 -1.628 -6.315 1.00 0.00 C ATOM 772 CD LYS A 48 -9.559 -0.927 -5.028 1.00 0.00 C ATOM 773 CE LYS A 48 -9.114 -1.752 -3.819 1.00 0.00 C ATOM 774 NZ LYS A 48 -8.771 -0.841 -2.692 1.00 0.00 N ATOM 0 H LYS A 48 -9.726 0.586 -9.871 1.00 0.00 H new ATOM 0 HA LYS A 48 -7.827 -1.175 -8.347 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -10.081 0.060 -7.266 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -10.710 -1.494 -7.776 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -9.388 -2.684 -6.275 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -8.037 -1.577 -6.418 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -9.125 0.072 -4.980 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -10.642 -0.804 -5.019 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -9.909 -2.435 -3.519 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -8.251 -2.364 -4.081 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -8.469 -1.403 -1.871 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -7.999 -0.207 -2.981 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -9.606 -0.276 -2.436 1.00 0.00 H new ATOM 788 N VAL A 49 -8.755 -3.216 -9.593 1.00 0.00 N ATOM 789 CA VAL A 49 -9.131 -4.283 -10.559 1.00 0.00 C ATOM 790 C VAL A 49 -9.592 -5.524 -9.796 1.00 0.00 C ATOM 791 O VAL A 49 -8.977 -5.937 -8.835 1.00 0.00 O ATOM 792 CB VAL A 49 -7.919 -4.638 -11.421 1.00 0.00 C ATOM 793 CG1 VAL A 49 -8.320 -5.680 -12.467 1.00 0.00 C ATOM 794 CG2 VAL A 49 -7.411 -3.378 -12.126 1.00 0.00 C ATOM 0 H VAL A 49 -8.099 -3.499 -8.865 1.00 0.00 H new ATOM 0 HA VAL A 49 -9.941 -3.927 -11.196 1.00 0.00 H new ATOM 0 HB VAL A 49 -7.131 -5.046 -10.788 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -7.455 -5.932 -13.080 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -8.683 -6.577 -11.966 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -9.108 -5.274 -13.101 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -6.547 -3.629 -12.741 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -8.201 -2.971 -12.758 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -7.123 -2.636 -11.382 1.00 0.00 H new ATOM 804 N ARG A 50 -10.669 -6.127 -10.217 1.00 0.00 N ATOM 805 CA ARG A 50 -11.163 -7.346 -9.518 1.00 0.00 C ATOM 806 C ARG A 50 -11.135 -8.525 -10.492 1.00 0.00 C ATOM 807 O ARG A 50 -11.592 -8.426 -11.613 1.00 0.00 O ATOM 808 CB ARG A 50 -12.594 -7.115 -9.030 1.00 0.00 C ATOM 809 CG ARG A 50 -12.835 -7.926 -7.754 1.00 0.00 C ATOM 810 CD ARG A 50 -14.339 -8.116 -7.543 1.00 0.00 C ATOM 811 NE ARG A 50 -14.778 -7.325 -6.358 1.00 0.00 N ATOM 812 CZ ARG A 50 -15.559 -6.292 -6.516 1.00 0.00 C ATOM 813 NH1 ARG A 50 -15.045 -5.118 -6.772 1.00 0.00 N ATOM 814 NH2 ARG A 50 -16.853 -6.429 -6.420 1.00 0.00 N ATOM 0 H ARG A 50 -11.229 -5.828 -11.016 1.00 0.00 H new ATOM 0 HA ARG A 50 -10.525 -7.562 -8.661 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -12.757 -6.055 -8.836 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -13.305 -7.411 -9.801 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -12.343 -8.896 -7.829 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -12.399 -7.413 -6.897 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -14.885 -7.795 -8.430 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -14.566 -9.172 -7.393 1.00 0.00 H new ATOM 0 HE ARG A 50 -14.468 -7.591 -5.424 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -14.034 -5.010 -6.848 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -15.655 -4.310 -6.896 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -17.256 -7.345 -6.221 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -17.462 -5.620 -6.544 1.00 0.00 H new ATOM 828 N LEU A 51 -10.595 -9.640 -10.079 1.00 0.00 N ATOM 829 CA LEU A 51 -10.536 -10.818 -10.990 1.00 0.00 C ATOM 830 C LEU A 51 -11.846 -11.604 -10.901 1.00 0.00 C ATOM 831 O LEU A 51 -11.922 -12.631 -10.256 1.00 0.00 O ATOM 832 CB LEU A 51 -9.368 -11.719 -10.584 1.00 0.00 C ATOM 833 CG LEU A 51 -8.386 -11.838 -11.750 1.00 0.00 C ATOM 834 CD1 LEU A 51 -9.076 -12.520 -12.931 1.00 0.00 C ATOM 835 CD2 LEU A 51 -7.923 -10.440 -12.171 1.00 0.00 C ATOM 0 H LEU A 51 -10.193 -9.785 -9.153 1.00 0.00 H new ATOM 0 HA LEU A 51 -10.391 -10.476 -12.015 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -8.863 -11.306 -9.710 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -9.737 -12.706 -10.303 1.00 0.00 H new ATOM 0 HG LEU A 51 -7.525 -12.430 -11.440 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -8.376 -12.605 -13.762 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -9.408 -13.515 -12.633 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -9.937 -11.928 -13.241 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -7.223 -10.524 -13.002 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -8.785 -9.849 -12.481 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -7.431 -9.951 -11.330 1.00 0.00 H new ATOM 847 N LEU A 52 -12.879 -11.132 -11.546 1.00 0.00 N ATOM 848 CA LEU A 52 -14.181 -11.855 -11.497 1.00 0.00 C ATOM 849 C LEU A 52 -14.016 -13.240 -12.127 1.00 0.00 C ATOM 850 O LEU A 52 -13.578 -13.373 -13.253 1.00 0.00 O ATOM 851 CB LEU A 52 -15.237 -11.064 -12.273 1.00 0.00 C ATOM 852 CG LEU A 52 -16.573 -11.806 -12.220 1.00 0.00 C ATOM 853 CD1 LEU A 52 -17.256 -11.537 -10.878 1.00 0.00 C ATOM 854 CD2 LEU A 52 -17.474 -11.315 -13.355 1.00 0.00 C ATOM 0 H LEU A 52 -12.877 -10.278 -12.104 1.00 0.00 H new ATOM 0 HA LEU A 52 -14.499 -11.961 -10.460 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -15.346 -10.067 -11.846 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -14.922 -10.935 -13.308 1.00 0.00 H new ATOM 0 HG LEU A 52 -16.397 -12.876 -12.330 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -18.208 -12.066 -10.842 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -16.616 -11.886 -10.068 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -17.431 -10.467 -10.767 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -18.427 -11.843 -13.318 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -17.648 -10.245 -13.244 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -16.990 -11.507 -14.313 1.00 0.00 H new ATOM 866 N GLY A 53 -14.364 -14.272 -11.409 1.00 0.00 N ATOM 867 CA GLY A 53 -14.226 -15.647 -11.965 1.00 0.00 C ATOM 868 C GLY A 53 -13.434 -16.514 -10.984 1.00 0.00 C ATOM 869 O GLY A 53 -13.443 -17.727 -11.065 1.00 0.00 O ATOM 0 H GLY A 53 -14.738 -14.222 -10.461 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -15.210 -16.082 -12.139 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -13.718 -15.612 -12.929 1.00 0.00 H new ATOM 873 N TYR A 54 -12.751 -15.902 -10.056 1.00 0.00 N ATOM 874 CA TYR A 54 -11.962 -16.689 -9.067 1.00 0.00 C ATOM 875 C TYR A 54 -12.499 -16.421 -7.661 1.00 0.00 C ATOM 876 O TYR A 54 -12.372 -17.238 -6.770 1.00 0.00 O ATOM 877 CB TYR A 54 -10.491 -16.268 -9.138 1.00 0.00 C ATOM 878 CG TYR A 54 -9.617 -17.396 -8.642 1.00 0.00 C ATOM 879 CD1 TYR A 54 -9.278 -18.450 -9.500 1.00 0.00 C ATOM 880 CD2 TYR A 54 -9.144 -17.387 -7.322 1.00 0.00 C ATOM 881 CE1 TYR A 54 -8.466 -19.496 -9.040 1.00 0.00 C ATOM 882 CE2 TYR A 54 -8.333 -18.433 -6.861 1.00 0.00 C ATOM 883 CZ TYR A 54 -7.993 -19.487 -7.721 1.00 0.00 C ATOM 884 OH TYR A 54 -7.193 -20.517 -7.268 1.00 0.00 O ATOM 0 H TYR A 54 -12.705 -14.890 -9.940 1.00 0.00 H new ATOM 0 HA TYR A 54 -12.048 -17.751 -9.295 1.00 0.00 H new ATOM 0 HB2 TYR A 54 -10.225 -16.012 -10.163 1.00 0.00 H new ATOM 0 HB3 TYR A 54 -10.328 -15.375 -8.534 1.00 0.00 H new ATOM 0 HD1 TYR A 54 -9.642 -18.457 -10.517 1.00 0.00 H new ATOM 0 HD2 TYR A 54 -9.405 -16.574 -6.661 1.00 0.00 H new ATOM 0 HE1 TYR A 54 -8.205 -20.308 -9.702 1.00 0.00 H new ATOM 0 HE2 TYR A 54 -7.970 -18.427 -5.844 1.00 0.00 H new ATOM 0 HH TYR A 54 -6.951 -20.356 -6.332 1.00 0.00 H new ATOM 894 N GLU A 55 -13.097 -15.279 -7.454 1.00 0.00 N ATOM 895 CA GLU A 55 -13.641 -14.953 -6.107 1.00 0.00 C ATOM 896 C GLU A 55 -12.522 -15.048 -5.068 1.00 0.00 C ATOM 897 O GLU A 55 -12.270 -16.096 -4.506 1.00 0.00 O ATOM 898 CB GLU A 55 -14.753 -15.942 -5.750 1.00 0.00 C ATOM 899 CG GLU A 55 -16.086 -15.432 -6.302 1.00 0.00 C ATOM 900 CD GLU A 55 -17.236 -16.018 -5.482 1.00 0.00 C ATOM 901 OE1 GLU A 55 -17.321 -17.233 -5.402 1.00 0.00 O ATOM 902 OE2 GLU A 55 -18.014 -15.244 -4.949 1.00 0.00 O ATOM 0 H GLU A 55 -13.232 -14.557 -8.162 1.00 0.00 H new ATOM 0 HA GLU A 55 -14.045 -13.941 -6.115 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -14.527 -16.924 -6.165 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -14.816 -16.060 -4.668 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -16.115 -14.343 -6.263 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -16.191 -15.716 -7.349 1.00 0.00 H new ATOM 909 N GLY A 56 -11.851 -13.960 -4.805 1.00 0.00 N ATOM 910 CA GLY A 56 -10.751 -13.988 -3.800 1.00 0.00 C ATOM 911 C GLY A 56 -9.503 -13.318 -4.380 1.00 0.00 C ATOM 912 O GLY A 56 -8.477 -13.234 -3.734 1.00 0.00 O ATOM 0 H GLY A 56 -12.017 -13.054 -5.242 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -11.063 -13.473 -2.891 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -10.526 -15.018 -3.522 1.00 0.00 H new ATOM 916 N HIS A 57 -9.578 -12.841 -5.593 1.00 0.00 N ATOM 917 CA HIS A 57 -8.393 -12.178 -6.206 1.00 0.00 C ATOM 918 C HIS A 57 -8.654 -10.674 -6.325 1.00 0.00 C ATOM 919 O HIS A 57 -9.406 -10.229 -7.170 1.00 0.00 O ATOM 920 CB HIS A 57 -8.144 -12.767 -7.597 1.00 0.00 C ATOM 921 CG HIS A 57 -7.276 -13.989 -7.474 1.00 0.00 C ATOM 922 ND1 HIS A 57 -7.377 -15.058 -8.351 1.00 0.00 N ATOM 923 CD2 HIS A 57 -6.288 -14.326 -6.583 1.00 0.00 C ATOM 924 CE1 HIS A 57 -6.471 -15.980 -7.971 1.00 0.00 C ATOM 925 NE2 HIS A 57 -5.781 -15.584 -6.898 1.00 0.00 N ATOM 0 H HIS A 57 -10.408 -12.882 -6.185 1.00 0.00 H new ATOM 0 HA HIS A 57 -7.517 -12.344 -5.579 1.00 0.00 H new ATOM 0 HB2 HIS A 57 -9.092 -13.027 -8.069 1.00 0.00 H new ATOM 0 HB3 HIS A 57 -7.661 -12.028 -8.236 1.00 0.00 H new ATOM 0 HD2 HIS A 57 -5.954 -13.709 -5.762 1.00 0.00 H new ATOM 0 HE1 HIS A 57 -6.321 -16.924 -8.473 1.00 0.00 H new ATOM 0 HE2 HIS A 57 -5.042 -16.093 -6.414 1.00 0.00 H new ATOM 933 N GLU A 58 -8.042 -9.888 -5.480 1.00 0.00 N ATOM 934 CA GLU A 58 -8.258 -8.415 -5.541 1.00 0.00 C ATOM 935 C GLU A 58 -6.969 -7.714 -5.979 1.00 0.00 C ATOM 936 O GLU A 58 -5.990 -7.677 -5.257 1.00 0.00 O ATOM 937 CB GLU A 58 -8.671 -7.904 -4.157 1.00 0.00 C ATOM 938 CG GLU A 58 -9.710 -6.793 -4.313 1.00 0.00 C ATOM 939 CD GLU A 58 -9.170 -5.496 -3.708 1.00 0.00 C ATOM 940 OE1 GLU A 58 -9.220 -5.365 -2.496 1.00 0.00 O ATOM 941 OE2 GLU A 58 -8.717 -4.654 -4.466 1.00 0.00 O ATOM 0 H GLU A 58 -7.402 -10.203 -4.751 1.00 0.00 H new ATOM 0 HA GLU A 58 -9.045 -8.199 -6.263 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -9.083 -8.721 -3.564 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -7.799 -7.529 -3.621 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -9.943 -6.645 -5.367 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -10.639 -7.078 -3.818 1.00 0.00 H new ATOM 948 N CYS A 59 -6.964 -7.153 -7.156 1.00 0.00 N ATOM 949 CA CYS A 59 -5.747 -6.446 -7.644 1.00 0.00 C ATOM 950 C CYS A 59 -5.960 -4.936 -7.531 1.00 0.00 C ATOM 951 O CYS A 59 -7.050 -4.470 -7.264 1.00 0.00 O ATOM 952 CB CYS A 59 -5.490 -6.815 -9.108 1.00 0.00 C ATOM 953 SG CYS A 59 -5.896 -8.559 -9.375 1.00 0.00 S ATOM 0 H CYS A 59 -7.753 -7.154 -7.803 1.00 0.00 H new ATOM 0 HA CYS A 59 -4.889 -6.742 -7.041 1.00 0.00 H new ATOM 0 HB2 CYS A 59 -6.093 -6.186 -9.763 1.00 0.00 H new ATOM 0 HB3 CYS A 59 -4.446 -6.631 -9.362 1.00 0.00 H new ATOM 0 HG CYS A 59 -4.804 -9.264 -9.370 1.00 0.00 H new ATOM 959 N ILE A 60 -4.929 -4.167 -7.738 1.00 0.00 N ATOM 960 CA ILE A 60 -5.070 -2.687 -7.648 1.00 0.00 C ATOM 961 C ILE A 60 -4.412 -2.048 -8.869 1.00 0.00 C ATOM 962 O ILE A 60 -3.278 -2.331 -9.192 1.00 0.00 O ATOM 963 CB ILE A 60 -4.382 -2.181 -6.377 1.00 0.00 C ATOM 964 CG1 ILE A 60 -2.986 -2.801 -6.273 1.00 0.00 C ATOM 965 CG2 ILE A 60 -5.207 -2.581 -5.153 1.00 0.00 C ATOM 966 CD1 ILE A 60 -2.061 -1.849 -5.512 1.00 0.00 C ATOM 0 H ILE A 60 -3.992 -4.500 -7.966 1.00 0.00 H new ATOM 0 HA ILE A 60 -6.127 -2.422 -7.616 1.00 0.00 H new ATOM 0 HB ILE A 60 -4.298 -1.095 -6.419 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -3.040 -3.761 -5.759 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -2.587 -2.994 -7.269 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -4.716 -2.220 -4.249 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -6.202 -2.142 -5.225 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -5.292 -3.667 -5.111 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -1.067 -2.290 -5.438 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -1.998 -0.900 -6.044 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -2.458 -1.678 -4.511 1.00 0.00 H new ATOM 978 N LEU A 61 -5.110 -1.190 -9.556 1.00 0.00 N ATOM 979 CA LEU A 61 -4.512 -0.545 -10.758 1.00 0.00 C ATOM 980 C LEU A 61 -3.968 0.831 -10.377 1.00 0.00 C ATOM 981 O LEU A 61 -4.700 1.710 -9.964 1.00 0.00 O ATOM 982 CB LEU A 61 -5.582 -0.387 -11.840 1.00 0.00 C ATOM 983 CG LEU A 61 -4.996 0.380 -13.025 1.00 0.00 C ATOM 984 CD1 LEU A 61 -4.085 -0.546 -13.832 1.00 0.00 C ATOM 985 CD2 LEU A 61 -6.134 0.881 -13.916 1.00 0.00 C ATOM 0 H LEU A 61 -6.066 -0.907 -9.339 1.00 0.00 H new ATOM 0 HA LEU A 61 -3.701 -1.166 -11.138 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -5.934 -1.366 -12.165 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -6.445 0.145 -11.439 1.00 0.00 H new ATOM 0 HG LEU A 61 -4.417 1.229 -12.661 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -3.667 0.001 -14.677 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -3.276 -0.905 -13.196 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -4.662 -1.395 -14.199 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -5.719 1.429 -14.762 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -6.711 0.032 -14.281 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -6.784 1.540 -13.340 1.00 0.00 H new ATOM 997 N LEU A 62 -2.684 1.022 -10.508 1.00 0.00 N ATOM 998 CA LEU A 62 -2.091 2.341 -10.147 1.00 0.00 C ATOM 999 C LEU A 62 -1.156 2.811 -11.262 1.00 0.00 C ATOM 1000 O LEU A 62 -1.042 3.990 -11.533 1.00 0.00 O ATOM 1001 CB LEU A 62 -1.305 2.207 -8.841 1.00 0.00 C ATOM 1002 CG LEU A 62 -0.032 1.395 -9.089 1.00 0.00 C ATOM 1003 CD1 LEU A 62 1.100 2.335 -9.506 1.00 0.00 C ATOM 1004 CD2 LEU A 62 0.360 0.661 -7.805 1.00 0.00 C ATOM 0 H LEU A 62 -2.022 0.325 -10.848 1.00 0.00 H new ATOM 0 HA LEU A 62 -2.890 3.071 -10.018 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -1.049 3.194 -8.456 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -1.918 1.718 -8.084 1.00 0.00 H new ATOM 0 HG LEU A 62 -0.211 0.670 -9.883 1.00 0.00 H new ATOM 0 HD11 LEU A 62 2.007 1.757 -9.683 1.00 0.00 H new ATOM 0 HD12 LEU A 62 0.820 2.859 -10.420 1.00 0.00 H new ATOM 0 HD13 LEU A 62 1.281 3.061 -8.713 1.00 0.00 H new ATOM 0 HD21 LEU A 62 1.267 0.082 -7.979 1.00 0.00 H new ATOM 0 HD22 LEU A 62 0.540 1.386 -7.012 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -0.447 -0.009 -7.508 1.00 0.00 H new ATOM 1324 N VAL A 80 -14.889 3.768 -16.945 1.00 0.00 N ATOM 1325 CA VAL A 80 -14.309 2.936 -15.851 1.00 0.00 C ATOM 1326 C VAL A 80 -15.256 1.788 -15.513 1.00 0.00 C ATOM 1327 O VAL A 80 -16.414 1.785 -15.883 1.00 0.00 O ATOM 1328 CB VAL A 80 -14.080 3.797 -14.604 1.00 0.00 C ATOM 1329 CG1 VAL A 80 -15.296 4.692 -14.359 1.00 0.00 C ATOM 1330 CG2 VAL A 80 -13.861 2.897 -13.383 1.00 0.00 C ATOM 0 HA VAL A 80 -13.355 2.529 -16.186 1.00 0.00 H new ATOM 0 HB VAL A 80 -13.198 4.418 -14.762 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -15.126 5.301 -13.471 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -15.449 5.341 -15.221 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -16.180 4.072 -14.210 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -13.699 3.515 -12.500 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -14.740 2.270 -13.231 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -12.989 2.265 -13.549 1.00 0.00 H new ATOM 1340 N GLY A 81 -14.764 0.814 -14.807 1.00 0.00 N ATOM 1341 CA GLY A 81 -15.622 -0.344 -14.432 1.00 0.00 C ATOM 1342 C GLY A 81 -15.623 -1.375 -15.564 1.00 0.00 C ATOM 1343 O GLY A 81 -15.458 -2.558 -15.335 1.00 0.00 O ATOM 0 H GLY A 81 -13.802 0.767 -14.471 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -15.253 -0.799 -13.513 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -16.639 -0.006 -14.234 1.00 0.00 H new ATOM 1347 N ARG A 82 -15.814 -0.936 -16.781 1.00 0.00 N ATOM 1348 CA ARG A 82 -15.837 -1.890 -17.931 1.00 0.00 C ATOM 1349 C ARG A 82 -14.737 -2.943 -17.767 1.00 0.00 C ATOM 1350 O ARG A 82 -13.830 -2.794 -16.973 1.00 0.00 O ATOM 1351 CB ARG A 82 -15.612 -1.121 -19.234 1.00 0.00 C ATOM 1352 CG ARG A 82 -16.320 -1.845 -20.381 1.00 0.00 C ATOM 1353 CD ARG A 82 -15.294 -2.629 -21.200 1.00 0.00 C ATOM 1354 NE ARG A 82 -15.881 -3.936 -21.614 1.00 0.00 N ATOM 1355 CZ ARG A 82 -15.821 -4.312 -22.862 1.00 0.00 C ATOM 1356 NH1 ARG A 82 -14.671 -4.340 -23.480 1.00 0.00 N ATOM 1357 NH2 ARG A 82 -16.909 -4.660 -23.492 1.00 0.00 N ATOM 0 H ARG A 82 -15.955 0.043 -17.029 1.00 0.00 H new ATOM 0 HA ARG A 82 -16.806 -2.389 -17.958 1.00 0.00 H new ATOM 0 HB2 ARG A 82 -15.994 -0.105 -19.140 1.00 0.00 H new ATOM 0 HB3 ARG A 82 -14.545 -1.042 -19.443 1.00 0.00 H new ATOM 0 HG2 ARG A 82 -17.078 -2.521 -19.986 1.00 0.00 H new ATOM 0 HG3 ARG A 82 -16.835 -1.125 -21.017 1.00 0.00 H new ATOM 0 HD2 ARG A 82 -15.000 -2.056 -22.079 1.00 0.00 H new ATOM 0 HD3 ARG A 82 -14.392 -2.794 -20.611 1.00 0.00 H new ATOM 0 HE ARG A 82 -16.329 -4.536 -20.922 1.00 0.00 H new ATOM 0 HH11 ARG A 82 -13.820 -4.068 -22.987 1.00 0.00 H new ATOM 0 HH12 ARG A 82 -14.623 -4.634 -24.456 1.00 0.00 H new ATOM 0 HH21 ARG A 82 -17.807 -4.638 -23.009 1.00 0.00 H new ATOM 0 HH22 ARG A 82 -16.862 -4.954 -24.468 1.00 0.00 H new ATOM 1371 N VAL A 83 -14.812 -4.006 -18.524 1.00 0.00 N ATOM 1372 CA VAL A 83 -13.772 -5.069 -18.424 1.00 0.00 C ATOM 1373 C VAL A 83 -12.748 -4.866 -19.541 1.00 0.00 C ATOM 1374 O VAL A 83 -13.090 -4.495 -20.647 1.00 0.00 O ATOM 1375 CB VAL A 83 -14.430 -6.443 -18.574 1.00 0.00 C ATOM 1376 CG1 VAL A 83 -15.143 -6.522 -19.925 1.00 0.00 C ATOM 1377 CG2 VAL A 83 -13.359 -7.531 -18.501 1.00 0.00 C ATOM 0 H VAL A 83 -15.549 -4.183 -19.207 1.00 0.00 H new ATOM 0 HA VAL A 83 -13.277 -5.013 -17.455 1.00 0.00 H new ATOM 0 HB VAL A 83 -15.153 -6.589 -17.771 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -15.612 -7.500 -20.032 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -15.906 -5.746 -19.979 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -14.420 -6.376 -20.727 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -13.827 -8.510 -18.608 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -12.636 -7.385 -19.304 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -12.849 -7.476 -17.539 1.00 0.00 H new ATOM 1387 N ILE A 84 -11.494 -5.092 -19.261 1.00 0.00 N ATOM 1388 CA ILE A 84 -10.453 -4.892 -20.310 1.00 0.00 C ATOM 1389 C ILE A 84 -9.267 -5.827 -20.056 1.00 0.00 C ATOM 1390 O ILE A 84 -9.212 -6.525 -19.064 1.00 0.00 O ATOM 1391 CB ILE A 84 -9.965 -3.440 -20.272 1.00 0.00 C ATOM 1392 CG1 ILE A 84 -9.064 -3.236 -19.048 1.00 0.00 C ATOM 1393 CG2 ILE A 84 -11.162 -2.487 -20.191 1.00 0.00 C ATOM 1394 CD1 ILE A 84 -9.817 -3.629 -17.775 1.00 0.00 C ATOM 0 H ILE A 84 -11.145 -5.405 -18.355 1.00 0.00 H new ATOM 0 HA ILE A 84 -10.884 -5.114 -21.286 1.00 0.00 H new ATOM 0 HB ILE A 84 -9.402 -3.228 -21.181 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -8.160 -3.837 -19.147 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -8.749 -2.194 -18.987 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -10.806 -1.457 -20.164 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -11.799 -2.628 -21.064 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -11.734 -2.697 -19.287 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -9.171 -3.481 -16.910 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -10.707 -3.009 -17.673 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -10.110 -4.677 -17.834 1.00 0.00 H new ATOM 1406 N LYS A 85 -8.309 -5.833 -20.945 1.00 0.00 N ATOM 1407 CA LYS A 85 -7.117 -6.708 -20.756 1.00 0.00 C ATOM 1408 C LYS A 85 -5.972 -5.871 -20.180 1.00 0.00 C ATOM 1409 O LYS A 85 -5.337 -5.107 -20.880 1.00 0.00 O ATOM 1410 CB LYS A 85 -6.696 -7.294 -22.105 1.00 0.00 C ATOM 1411 CG LYS A 85 -5.665 -8.404 -21.885 1.00 0.00 C ATOM 1412 CD LYS A 85 -5.765 -9.425 -23.020 1.00 0.00 C ATOM 1413 CE LYS A 85 -5.893 -10.833 -22.434 1.00 0.00 C ATOM 1414 NZ LYS A 85 -7.330 -11.223 -22.389 1.00 0.00 N ATOM 0 H LYS A 85 -8.301 -5.269 -21.795 1.00 0.00 H new ATOM 0 HA LYS A 85 -7.359 -7.521 -20.071 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -7.566 -7.691 -22.628 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -6.274 -6.512 -22.736 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -4.661 -7.981 -21.850 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -5.839 -8.892 -20.926 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -6.627 -9.202 -23.648 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -4.882 -9.364 -23.657 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -5.331 -11.543 -23.040 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -5.466 -10.862 -21.432 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -7.431 -12.118 -21.869 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -7.876 -10.480 -21.908 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -7.688 -11.343 -23.358 1.00 0.00 H new ATOM 1428 N THR A 86 -5.706 -6.004 -18.910 1.00 0.00 N ATOM 1429 CA THR A 86 -4.606 -5.210 -18.291 1.00 0.00 C ATOM 1430 C THR A 86 -3.421 -6.126 -17.987 1.00 0.00 C ATOM 1431 O THR A 86 -3.491 -7.326 -18.163 1.00 0.00 O ATOM 1432 CB THR A 86 -5.103 -4.575 -16.987 1.00 0.00 C ATOM 1433 OG1 THR A 86 -5.527 -5.594 -16.091 1.00 0.00 O ATOM 1434 CG2 THR A 86 -6.271 -3.636 -17.288 1.00 0.00 C ATOM 0 H THR A 86 -6.202 -6.628 -18.274 1.00 0.00 H new ATOM 0 HA THR A 86 -4.294 -4.428 -18.983 1.00 0.00 H new ATOM 0 HB THR A 86 -4.293 -4.008 -16.529 1.00 0.00 H new ATOM 0 HG1 THR A 86 -6.122 -5.208 -15.414 1.00 0.00 H new ATOM 0 HG21 THR A 86 -6.624 -3.185 -16.360 1.00 0.00 H new ATOM 0 HG22 THR A 86 -5.941 -2.852 -17.970 1.00 0.00 H new ATOM 0 HG23 THR A 86 -7.082 -4.200 -17.748 1.00 0.00 H new ATOM 1442 N ARG A 87 -2.332 -5.571 -17.530 1.00 0.00 N ATOM 1443 CA ARG A 87 -1.145 -6.414 -17.216 1.00 0.00 C ATOM 1444 C ARG A 87 -1.047 -6.603 -15.701 1.00 0.00 C ATOM 1445 O ARG A 87 -1.546 -5.803 -14.933 1.00 0.00 O ATOM 1446 CB ARG A 87 0.132 -5.736 -17.728 1.00 0.00 C ATOM 1447 CG ARG A 87 -0.209 -4.759 -18.857 1.00 0.00 C ATOM 1448 CD ARG A 87 -0.981 -5.494 -19.954 1.00 0.00 C ATOM 1449 NE ARG A 87 -0.113 -5.647 -21.154 1.00 0.00 N ATOM 1450 CZ ARG A 87 -0.542 -5.255 -22.322 1.00 0.00 C ATOM 1451 NH1 ARG A 87 -1.701 -5.663 -22.762 1.00 0.00 N ATOM 1452 NH2 ARG A 87 0.188 -4.456 -23.052 1.00 0.00 N ATOM 0 H ARG A 87 -2.213 -4.572 -17.361 1.00 0.00 H new ATOM 0 HA ARG A 87 -1.254 -7.383 -17.704 1.00 0.00 H new ATOM 0 HB2 ARG A 87 0.623 -5.205 -16.913 1.00 0.00 H new ATOM 0 HB3 ARG A 87 0.834 -6.489 -18.087 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -0.805 -3.933 -18.469 1.00 0.00 H new ATOM 0 HG3 ARG A 87 0.704 -4.328 -19.267 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -1.300 -6.473 -19.596 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -1.883 -4.940 -20.213 1.00 0.00 H new ATOM 0 HE ARG A 87 0.816 -6.058 -21.063 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -2.271 -6.288 -22.193 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -2.036 -5.357 -23.675 1.00 0.00 H new ATOM 0 HH21 ARG A 87 1.094 -4.138 -22.709 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -0.148 -4.150 -23.965 1.00 0.00 H new ATOM 1466 N VAL A 88 -0.396 -7.647 -15.264 1.00 0.00 N ATOM 1467 CA VAL A 88 -0.262 -7.879 -13.800 1.00 0.00 C ATOM 1468 C VAL A 88 1.088 -7.340 -13.338 1.00 0.00 C ATOM 1469 O VAL A 88 2.126 -7.909 -13.614 1.00 0.00 O ATOM 1470 CB VAL A 88 -0.341 -9.378 -13.505 1.00 0.00 C ATOM 1471 CG1 VAL A 88 0.019 -9.628 -12.038 1.00 0.00 C ATOM 1472 CG2 VAL A 88 -1.763 -9.875 -13.771 1.00 0.00 C ATOM 0 H VAL A 88 0.048 -8.348 -15.858 1.00 0.00 H new ATOM 0 HA VAL A 88 -1.067 -7.369 -13.271 1.00 0.00 H new ATOM 0 HB VAL A 88 0.358 -9.913 -14.148 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -0.037 -10.696 -11.827 1.00 0.00 H new ATOM 0 HG12 VAL A 88 1.031 -9.273 -11.846 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -0.681 -9.094 -11.395 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -1.820 -10.943 -13.561 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -2.462 -9.341 -13.127 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -2.022 -9.696 -14.815 1.00 0.00 H new ATOM 1482 N VAL A 89 1.081 -6.235 -12.649 1.00 0.00 N ATOM 1483 CA VAL A 89 2.360 -5.643 -12.182 1.00 0.00 C ATOM 1484 C VAL A 89 3.084 -6.629 -11.259 1.00 0.00 C ATOM 1485 O VAL A 89 4.276 -6.834 -11.376 1.00 0.00 O ATOM 1486 CB VAL A 89 2.070 -4.336 -11.439 1.00 0.00 C ATOM 1487 CG1 VAL A 89 3.290 -3.926 -10.609 1.00 0.00 C ATOM 1488 CG2 VAL A 89 1.760 -3.236 -12.457 1.00 0.00 C ATOM 0 H VAL A 89 0.242 -5.716 -12.389 1.00 0.00 H new ATOM 0 HA VAL A 89 3.001 -5.434 -13.039 1.00 0.00 H new ATOM 0 HB VAL A 89 1.217 -4.481 -10.776 1.00 0.00 H new ATOM 0 HG11 VAL A 89 3.076 -2.995 -10.083 1.00 0.00 H new ATOM 0 HG12 VAL A 89 3.517 -4.708 -9.885 1.00 0.00 H new ATOM 0 HG13 VAL A 89 4.146 -3.782 -11.268 1.00 0.00 H new ATOM 0 HG21 VAL A 89 1.553 -2.303 -11.933 1.00 0.00 H new ATOM 0 HG22 VAL A 89 2.617 -3.099 -13.117 1.00 0.00 H new ATOM 0 HG23 VAL A 89 0.889 -3.522 -13.047 1.00 0.00 H new ATOM 1498 N ARG A 90 2.379 -7.245 -10.346 1.00 0.00 N ATOM 1499 CA ARG A 90 3.041 -8.215 -9.426 1.00 0.00 C ATOM 1500 C ARG A 90 2.023 -8.745 -8.414 1.00 0.00 C ATOM 1501 O ARG A 90 1.670 -8.076 -7.463 1.00 0.00 O ATOM 1502 CB ARG A 90 4.181 -7.519 -8.677 1.00 0.00 C ATOM 1503 CG ARG A 90 4.929 -8.543 -7.820 1.00 0.00 C ATOM 1504 CD ARG A 90 6.061 -7.845 -7.062 1.00 0.00 C ATOM 1505 NE ARG A 90 7.372 -8.234 -7.658 1.00 0.00 N ATOM 1506 CZ ARG A 90 8.472 -7.680 -7.228 1.00 0.00 C ATOM 1507 NH1 ARG A 90 8.426 -6.542 -6.591 1.00 0.00 N ATOM 1508 NH2 ARG A 90 9.620 -8.264 -7.436 1.00 0.00 N ATOM 0 H ARG A 90 1.378 -7.119 -10.198 1.00 0.00 H new ATOM 0 HA ARG A 90 3.440 -9.045 -10.010 1.00 0.00 H new ATOM 0 HB2 ARG A 90 4.865 -7.053 -9.386 1.00 0.00 H new ATOM 0 HB3 ARG A 90 3.784 -6.723 -8.047 1.00 0.00 H new ATOM 0 HG2 ARG A 90 4.243 -9.015 -7.117 1.00 0.00 H new ATOM 0 HG3 ARG A 90 5.333 -9.335 -8.451 1.00 0.00 H new ATOM 0 HD2 ARG A 90 5.933 -6.764 -7.111 1.00 0.00 H new ATOM 0 HD3 ARG A 90 6.032 -8.122 -6.008 1.00 0.00 H new ATOM 0 HE ARG A 90 7.408 -8.932 -8.401 1.00 0.00 H new ATOM 0 HH11 ARG A 90 7.529 -6.084 -6.429 1.00 0.00 H new ATOM 0 HH12 ARG A 90 9.287 -6.110 -6.255 1.00 0.00 H new ATOM 0 HH21 ARG A 90 9.657 -9.153 -7.935 1.00 0.00 H new ATOM 0 HH22 ARG A 90 10.481 -7.831 -7.100 1.00 0.00 H new ATOM 1522 N ALA A 91 1.552 -9.946 -8.609 1.00 0.00 N ATOM 1523 CA ALA A 91 0.562 -10.526 -7.656 1.00 0.00 C ATOM 1524 C ALA A 91 1.292 -11.013 -6.401 1.00 0.00 C ATOM 1525 O ALA A 91 2.451 -11.373 -6.449 1.00 0.00 O ATOM 1526 CB ALA A 91 -0.155 -11.705 -8.319 1.00 0.00 C ATOM 0 H ALA A 91 1.810 -10.552 -9.388 1.00 0.00 H new ATOM 0 HA ALA A 91 -0.169 -9.765 -7.381 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -0.879 -12.129 -7.623 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -0.672 -11.360 -9.214 1.00 0.00 H new ATOM 0 HB3 ALA A 91 0.575 -12.467 -8.593 1.00 0.00 H new ATOM 1532 N ASP A 92 0.625 -11.027 -5.278 1.00 0.00 N ATOM 1533 CA ASP A 92 1.292 -11.491 -4.028 1.00 0.00 C ATOM 1534 C ASP A 92 0.247 -11.708 -2.928 1.00 0.00 C ATOM 1535 O ASP A 92 0.280 -11.068 -1.896 1.00 0.00 O ATOM 1536 CB ASP A 92 2.301 -10.436 -3.569 1.00 0.00 C ATOM 1537 CG ASP A 92 3.231 -11.042 -2.517 1.00 0.00 C ATOM 1538 OD1 ASP A 92 2.857 -11.047 -1.356 1.00 0.00 O ATOM 1539 OD2 ASP A 92 4.303 -11.490 -2.890 1.00 0.00 O ATOM 0 H ASP A 92 -0.348 -10.739 -5.173 1.00 0.00 H new ATOM 0 HA ASP A 92 1.806 -12.432 -4.224 1.00 0.00 H new ATOM 0 HB2 ASP A 92 2.881 -10.078 -4.420 1.00 0.00 H new ATOM 0 HB3 ASP A 92 1.778 -9.574 -3.154 1.00 0.00 H new ATOM 1544 N GLY A 93 -0.671 -12.613 -3.132 1.00 0.00 N ATOM 1545 CA GLY A 93 -1.705 -12.871 -2.087 1.00 0.00 C ATOM 1546 C GLY A 93 -3.053 -12.301 -2.532 1.00 0.00 C ATOM 1547 O GLY A 93 -3.314 -12.133 -3.707 1.00 0.00 O ATOM 0 H GLY A 93 -0.751 -13.184 -3.974 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -1.795 -13.943 -1.910 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -1.402 -12.416 -1.144 1.00 0.00 H new ATOM 1551 N LEU A 94 -3.915 -12.007 -1.596 1.00 0.00 N ATOM 1552 CA LEU A 94 -5.251 -11.452 -1.955 1.00 0.00 C ATOM 1553 C LEU A 94 -5.075 -10.117 -2.683 1.00 0.00 C ATOM 1554 O LEU A 94 -5.904 -9.721 -3.478 1.00 0.00 O ATOM 1555 CB LEU A 94 -6.066 -11.229 -0.679 1.00 0.00 C ATOM 1556 CG LEU A 94 -7.115 -12.335 -0.542 1.00 0.00 C ATOM 1557 CD1 LEU A 94 -7.221 -12.757 0.925 1.00 0.00 C ATOM 1558 CD2 LEU A 94 -8.471 -11.812 -1.019 1.00 0.00 C ATOM 0 H LEU A 94 -3.751 -12.128 -0.597 1.00 0.00 H new ATOM 0 HA LEU A 94 -5.772 -12.154 -2.606 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -5.408 -11.228 0.190 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -6.552 -10.254 -0.711 1.00 0.00 H new ATOM 0 HG LEU A 94 -6.821 -13.192 -1.148 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -7.968 -13.545 1.024 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -6.255 -13.128 1.268 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -7.516 -11.899 1.530 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -9.219 -12.599 -0.922 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -8.765 -10.955 -0.412 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -8.397 -11.509 -2.063 1.00 0.00 H new ATOM 1570 N TYR A 95 -4.005 -9.420 -2.418 1.00 0.00 N ATOM 1571 CA TYR A 95 -3.786 -8.112 -3.098 1.00 0.00 C ATOM 1572 C TYR A 95 -2.783 -8.288 -4.238 1.00 0.00 C ATOM 1573 O TYR A 95 -1.798 -8.987 -4.111 1.00 0.00 O ATOM 1574 CB TYR A 95 -3.242 -7.097 -2.091 1.00 0.00 C ATOM 1575 CG TYR A 95 -4.378 -6.244 -1.580 1.00 0.00 C ATOM 1576 CD1 TYR A 95 -4.912 -5.233 -2.390 1.00 0.00 C ATOM 1577 CD2 TYR A 95 -4.900 -6.465 -0.299 1.00 0.00 C ATOM 1578 CE1 TYR A 95 -5.969 -4.443 -1.919 1.00 0.00 C ATOM 1579 CE2 TYR A 95 -5.957 -5.674 0.173 1.00 0.00 C ATOM 1580 CZ TYR A 95 -6.491 -4.663 -0.638 1.00 0.00 C ATOM 1581 OH TYR A 95 -7.531 -3.885 -0.174 1.00 0.00 O ATOM 0 H TYR A 95 -3.275 -9.698 -1.762 1.00 0.00 H new ATOM 0 HA TYR A 95 -4.732 -7.752 -3.501 1.00 0.00 H new ATOM 0 HB2 TYR A 95 -2.758 -7.613 -1.262 1.00 0.00 H new ATOM 0 HB3 TYR A 95 -2.485 -6.470 -2.562 1.00 0.00 H new ATOM 0 HD1 TYR A 95 -4.509 -5.063 -3.377 1.00 0.00 H new ATOM 0 HD2 TYR A 95 -4.488 -7.245 0.325 1.00 0.00 H new ATOM 0 HE1 TYR A 95 -6.381 -3.664 -2.544 1.00 0.00 H new ATOM 0 HE2 TYR A 95 -6.360 -5.843 1.161 1.00 0.00 H new ATOM 0 HH TYR A 95 -8.337 -4.070 -0.699 1.00 0.00 H new ATOM 1591 N VAL A 96 -3.031 -7.664 -5.356 1.00 0.00 N ATOM 1592 CA VAL A 96 -2.097 -7.800 -6.510 1.00 0.00 C ATOM 1593 C VAL A 96 -1.812 -6.421 -7.111 1.00 0.00 C ATOM 1594 O VAL A 96 -2.532 -5.473 -6.879 1.00 0.00 O ATOM 1595 CB VAL A 96 -2.741 -8.694 -7.572 1.00 0.00 C ATOM 1596 CG1 VAL A 96 -1.964 -8.583 -8.885 1.00 0.00 C ATOM 1597 CG2 VAL A 96 -2.725 -10.147 -7.092 1.00 0.00 C ATOM 0 H VAL A 96 -3.840 -7.065 -5.521 1.00 0.00 H new ATOM 0 HA VAL A 96 -1.161 -8.243 -6.170 1.00 0.00 H new ATOM 0 HB VAL A 96 -3.770 -8.373 -7.736 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -2.427 -9.222 -9.637 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -1.977 -7.549 -9.229 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -0.933 -8.899 -8.726 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -3.184 -10.785 -7.848 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -1.695 -10.464 -6.926 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -3.285 -10.229 -6.160 1.00 0.00 H new ATOM 1607 N ASP A 97 -0.771 -6.307 -7.891 1.00 0.00 N ATOM 1608 CA ASP A 97 -0.447 -4.996 -8.521 1.00 0.00 C ATOM 1609 C ASP A 97 -0.965 -5.006 -9.963 1.00 0.00 C ATOM 1610 O ASP A 97 -0.983 -6.032 -10.612 1.00 0.00 O ATOM 1611 CB ASP A 97 1.069 -4.787 -8.509 1.00 0.00 C ATOM 1612 CG ASP A 97 1.608 -5.039 -7.100 1.00 0.00 C ATOM 1613 OD1 ASP A 97 0.814 -5.365 -6.232 1.00 0.00 O ATOM 1614 OD2 ASP A 97 2.806 -4.904 -6.912 1.00 0.00 O ATOM 0 H ASP A 97 -0.130 -7.067 -8.119 1.00 0.00 H new ATOM 0 HA ASP A 97 -0.918 -4.184 -7.968 1.00 0.00 H new ATOM 0 HB2 ASP A 97 1.546 -5.463 -9.218 1.00 0.00 H new ATOM 0 HB3 ASP A 97 1.309 -3.772 -8.826 1.00 0.00 H new ATOM 1619 N LEU A 98 -1.411 -3.885 -10.465 1.00 0.00 N ATOM 1620 CA LEU A 98 -1.952 -3.866 -11.856 1.00 0.00 C ATOM 1621 C LEU A 98 -1.475 -2.621 -12.611 1.00 0.00 C ATOM 1622 O LEU A 98 -1.453 -1.523 -12.083 1.00 0.00 O ATOM 1623 CB LEU A 98 -3.483 -3.854 -11.794 1.00 0.00 C ATOM 1624 CG LEU A 98 -4.058 -4.917 -12.734 1.00 0.00 C ATOM 1625 CD1 LEU A 98 -3.831 -4.495 -14.186 1.00 0.00 C ATOM 1626 CD2 LEU A 98 -3.368 -6.259 -12.482 1.00 0.00 C ATOM 0 H LEU A 98 -1.425 -2.989 -9.977 1.00 0.00 H new ATOM 0 HA LEU A 98 -1.595 -4.752 -12.382 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -3.814 -4.043 -10.773 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -3.858 -2.869 -12.074 1.00 0.00 H new ATOM 0 HG LEU A 98 -5.127 -5.019 -12.547 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -4.241 -5.253 -14.854 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -4.328 -3.542 -14.370 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -2.762 -4.388 -14.371 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -3.781 -7.012 -13.153 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -2.298 -6.158 -12.664 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -3.533 -6.565 -11.449 1.00 0.00 H new ATOM 1638 N ARG A 99 -1.116 -2.794 -13.858 1.00 0.00 N ATOM 1639 CA ARG A 99 -0.657 -1.640 -14.683 1.00 0.00 C ATOM 1640 C ARG A 99 -1.338 -1.708 -16.055 1.00 0.00 C ATOM 1641 O ARG A 99 -1.323 -2.729 -16.716 1.00 0.00 O ATOM 1642 CB ARG A 99 0.864 -1.709 -14.859 1.00 0.00 C ATOM 1643 CG ARG A 99 1.293 -0.787 -16.004 1.00 0.00 C ATOM 1644 CD ARG A 99 2.799 -0.535 -15.920 1.00 0.00 C ATOM 1645 NE ARG A 99 3.526 -1.828 -16.059 1.00 0.00 N ATOM 1646 CZ ARG A 99 4.725 -1.958 -15.559 1.00 0.00 C ATOM 1647 NH1 ARG A 99 5.668 -1.125 -15.906 1.00 0.00 N ATOM 1648 NH2 ARG A 99 4.978 -2.919 -14.714 1.00 0.00 N ATOM 0 H ARG A 99 -1.122 -3.692 -14.341 1.00 0.00 H new ATOM 0 HA ARG A 99 -0.918 -0.704 -14.188 1.00 0.00 H new ATOM 0 HB2 ARG A 99 1.361 -1.413 -13.935 1.00 0.00 H new ATOM 0 HB3 ARG A 99 1.169 -2.734 -15.070 1.00 0.00 H new ATOM 0 HG2 ARG A 99 1.042 -1.240 -16.963 1.00 0.00 H new ATOM 0 HG3 ARG A 99 0.752 0.157 -15.947 1.00 0.00 H new ATOM 0 HD2 ARG A 99 3.108 0.155 -16.706 1.00 0.00 H new ATOM 0 HD3 ARG A 99 3.048 -0.066 -14.968 1.00 0.00 H new ATOM 0 HE ARG A 99 3.087 -2.611 -16.544 1.00 0.00 H new ATOM 0 HH11 ARG A 99 5.468 -0.374 -16.567 1.00 0.00 H new ATOM 0 HH12 ARG A 99 6.605 -1.225 -15.516 1.00 0.00 H new ATOM 0 HH21 ARG A 99 4.239 -3.568 -14.444 1.00 0.00 H new ATOM 0 HH22 ARG A 99 5.915 -3.021 -14.323 1.00 0.00 H new ATOM 1662 N ARG A 100 -1.936 -0.631 -16.488 1.00 0.00 N ATOM 1663 CA ARG A 100 -2.618 -0.639 -17.814 1.00 0.00 C ATOM 1664 C ARG A 100 -1.664 -0.093 -18.881 1.00 0.00 C ATOM 1665 O ARG A 100 -1.442 1.097 -18.979 1.00 0.00 O ATOM 1666 CB ARG A 100 -3.866 0.243 -17.749 1.00 0.00 C ATOM 1667 CG ARG A 100 -4.713 0.028 -19.005 1.00 0.00 C ATOM 1668 CD ARG A 100 -4.497 1.194 -19.972 1.00 0.00 C ATOM 1669 NE ARG A 100 -5.811 1.631 -20.523 1.00 0.00 N ATOM 1670 CZ ARG A 100 -6.338 0.999 -21.536 1.00 0.00 C ATOM 1671 NH1 ARG A 100 -6.589 -0.279 -21.447 1.00 0.00 N ATOM 1672 NH2 ARG A 100 -6.612 1.643 -22.636 1.00 0.00 N ATOM 0 H ARG A 100 -1.982 0.253 -15.981 1.00 0.00 H new ATOM 0 HA ARG A 100 -2.905 -1.659 -18.070 1.00 0.00 H new ATOM 0 HB2 ARG A 100 -4.448 0.001 -16.860 1.00 0.00 H new ATOM 0 HB3 ARG A 100 -3.579 1.291 -17.667 1.00 0.00 H new ATOM 0 HG2 ARG A 100 -4.439 -0.912 -19.485 1.00 0.00 H new ATOM 0 HG3 ARG A 100 -5.767 -0.046 -18.737 1.00 0.00 H new ATOM 0 HD2 ARG A 100 -4.013 2.023 -19.456 1.00 0.00 H new ATOM 0 HD3 ARG A 100 -3.833 0.891 -20.782 1.00 0.00 H new ATOM 0 HE ARG A 100 -6.299 2.425 -20.108 1.00 0.00 H new ATOM 0 HH11 ARG A 100 -6.373 -0.782 -20.586 1.00 0.00 H new ATOM 0 HH12 ARG A 100 -7.001 -0.774 -22.238 1.00 0.00 H new ATOM 0 HH21 ARG A 100 -6.414 2.641 -22.705 1.00 0.00 H new ATOM 0 HH22 ARG A 100 -7.024 1.149 -23.427 1.00 0.00 H new