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= -0.235 USER MOD Single : A 36 HIS : no HD1:sc= 0 X(o=0,f=-0.12) 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= -0.653 X(o=-0.65,f=-0.65) USER MOD Single : A 59 CYS SG : rot 180:sc= -1.91! USER MOD Single : A 85 LYS NZ :NH3+ 142:sc= 0.0214 (180deg=-0.531) USER MOD Single : A 86 THR OG1 : rot -160:sc= -2.34! USER MOD Single : A 95 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 537 N GLY A 33 4.616 -10.710 -14.967 1.00 0.00 N ATOM 538 CA GLY A 33 4.794 -10.418 -16.417 1.00 0.00 C ATOM 539 C GLY A 33 3.722 -11.154 -17.222 1.00 0.00 C ATOM 540 O GLY A 33 3.931 -12.255 -17.690 1.00 0.00 O ATOM 0 HA2 GLY A 33 4.724 -9.345 -16.594 1.00 0.00 H new ATOM 0 HA3 GLY A 33 5.786 -10.730 -16.742 1.00 0.00 H new ATOM 544 N SER A 34 2.574 -10.555 -17.388 1.00 0.00 N ATOM 545 CA SER A 34 1.493 -11.225 -18.164 1.00 0.00 C ATOM 546 C SER A 34 0.328 -10.253 -18.366 1.00 0.00 C ATOM 547 O SER A 34 0.206 -9.262 -17.675 1.00 0.00 O ATOM 548 CB SER A 34 1.001 -12.455 -17.398 1.00 0.00 C ATOM 549 OG SER A 34 -0.288 -12.819 -17.874 1.00 0.00 O ATOM 0 H SER A 34 2.339 -9.633 -17.021 1.00 0.00 H new ATOM 0 HA SER A 34 1.883 -11.532 -19.135 1.00 0.00 H new ATOM 0 HB2 SER A 34 1.698 -13.283 -17.530 1.00 0.00 H new ATOM 0 HB3 SER A 34 0.960 -12.240 -16.330 1.00 0.00 H new ATOM 0 HG SER A 34 -0.606 -13.608 -17.387 1.00 0.00 H new ATOM 555 N VAL A 35 -0.528 -10.531 -19.311 1.00 0.00 N ATOM 556 CA VAL A 35 -1.684 -9.626 -19.559 1.00 0.00 C ATOM 557 C VAL A 35 -2.987 -10.420 -19.424 1.00 0.00 C ATOM 558 O VAL A 35 -3.175 -11.435 -20.065 1.00 0.00 O ATOM 559 CB VAL A 35 -1.574 -9.035 -20.970 1.00 0.00 C ATOM 560 CG1 VAL A 35 -0.118 -8.660 -21.251 1.00 0.00 C ATOM 561 CG2 VAL A 35 -2.036 -10.065 -22.005 1.00 0.00 C ATOM 0 H VAL A 35 -0.476 -11.346 -19.922 1.00 0.00 H new ATOM 0 HA VAL A 35 -1.681 -8.815 -18.831 1.00 0.00 H new ATOM 0 HB VAL A 35 -2.205 -8.149 -21.036 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -0.037 -8.240 -22.253 1.00 0.00 H new ATOM 0 HG12 VAL A 35 0.215 -7.923 -20.521 1.00 0.00 H new ATOM 0 HG13 VAL A 35 0.507 -9.550 -21.179 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -1.955 -9.638 -23.005 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -1.409 -10.954 -21.938 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -3.073 -10.337 -21.810 1.00 0.00 H new ATOM 571 N HIS A 36 -3.887 -9.971 -18.592 1.00 0.00 N ATOM 572 CA HIS A 36 -5.171 -10.705 -18.416 1.00 0.00 C ATOM 573 C HIS A 36 -6.340 -9.719 -18.473 1.00 0.00 C ATOM 574 O HIS A 36 -6.158 -8.517 -18.432 1.00 0.00 O ATOM 575 CB HIS A 36 -5.169 -11.414 -17.060 1.00 0.00 C ATOM 576 CG HIS A 36 -4.884 -12.878 -17.258 1.00 0.00 C ATOM 577 ND1 HIS A 36 -5.776 -13.726 -17.894 1.00 0.00 N ATOM 578 CD2 HIS A 36 -3.808 -13.658 -16.910 1.00 0.00 C ATOM 579 CE1 HIS A 36 -5.228 -14.954 -17.909 1.00 0.00 C ATOM 580 NE2 HIS A 36 -4.027 -14.968 -17.322 1.00 0.00 N ATOM 0 H HIS A 36 -3.788 -9.128 -18.027 1.00 0.00 H new ATOM 0 HA HIS A 36 -5.280 -11.440 -19.213 1.00 0.00 H new ATOM 0 HB2 HIS A 36 -4.416 -10.971 -16.408 1.00 0.00 H new ATOM 0 HB3 HIS A 36 -6.133 -11.284 -16.568 1.00 0.00 H new ATOM 0 HD2 HIS A 36 -2.926 -13.307 -16.395 1.00 0.00 H new ATOM 0 HE1 HIS A 36 -5.701 -15.823 -18.342 1.00 0.00 H new ATOM 0 HE2 HIS A 36 -3.405 -15.768 -17.202 1.00 0.00 H new ATOM 588 N GLU A 37 -7.543 -10.220 -18.562 1.00 0.00 N ATOM 589 CA GLU A 37 -8.725 -9.317 -18.615 1.00 0.00 C ATOM 590 C GLU A 37 -9.345 -9.222 -17.221 1.00 0.00 C ATOM 591 O GLU A 37 -9.315 -10.164 -16.453 1.00 0.00 O ATOM 592 CB GLU A 37 -9.755 -9.878 -19.598 1.00 0.00 C ATOM 593 CG GLU A 37 -10.013 -8.854 -20.705 1.00 0.00 C ATOM 594 CD GLU A 37 -9.374 -9.337 -22.009 1.00 0.00 C ATOM 595 OE1 GLU A 37 -8.492 -10.176 -21.937 1.00 0.00 O ATOM 596 OE2 GLU A 37 -9.778 -8.858 -23.055 1.00 0.00 O ATOM 0 H GLU A 37 -7.757 -11.217 -18.600 1.00 0.00 H new ATOM 0 HA GLU A 37 -8.416 -8.326 -18.947 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -9.392 -10.811 -20.028 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -10.684 -10.108 -19.076 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -11.085 -8.715 -20.843 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -9.600 -7.886 -20.422 1.00 0.00 H new ATOM 603 N GLY A 38 -9.899 -8.092 -16.881 1.00 0.00 N ATOM 604 CA GLY A 38 -10.510 -7.939 -15.531 1.00 0.00 C ATOM 605 C GLY A 38 -11.511 -6.785 -15.549 1.00 0.00 C ATOM 606 O GLY A 38 -11.671 -6.105 -16.544 1.00 0.00 O ATOM 0 H GLY A 38 -9.955 -7.268 -17.479 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -11.010 -8.863 -15.240 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -9.734 -7.749 -14.789 1.00 0.00 H new ATOM 610 N ILE A 39 -12.187 -6.555 -14.456 1.00 0.00 N ATOM 611 CA ILE A 39 -13.175 -5.440 -14.418 1.00 0.00 C ATOM 612 C ILE A 39 -12.510 -4.213 -13.795 1.00 0.00 C ATOM 613 O ILE A 39 -11.563 -4.326 -13.042 1.00 0.00 O ATOM 614 CB ILE A 39 -14.383 -5.851 -13.574 1.00 0.00 C ATOM 615 CG1 ILE A 39 -14.626 -7.355 -13.724 1.00 0.00 C ATOM 616 CG2 ILE A 39 -15.621 -5.090 -14.051 1.00 0.00 C ATOM 617 CD1 ILE A 39 -14.658 -7.721 -15.208 1.00 0.00 C ATOM 0 H ILE A 39 -12.098 -7.089 -13.591 1.00 0.00 H new ATOM 0 HA ILE A 39 -13.509 -5.208 -15.429 1.00 0.00 H new ATOM 0 HB ILE A 39 -14.189 -5.616 -12.528 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -13.839 -7.914 -13.218 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -15.568 -7.631 -13.250 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -16.482 -5.383 -13.450 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -15.452 -4.018 -13.946 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -15.812 -5.326 -15.098 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -14.831 -8.792 -15.315 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -15.461 -7.173 -15.701 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -13.705 -7.460 -15.668 1.00 0.00 H new ATOM 629 N VAL A 40 -12.980 -3.038 -14.116 1.00 0.00 N ATOM 630 CA VAL A 40 -12.346 -1.813 -13.548 1.00 0.00 C ATOM 631 C VAL A 40 -13.239 -1.206 -12.465 1.00 0.00 C ATOM 632 O VAL A 40 -14.449 -1.264 -12.536 1.00 0.00 O ATOM 633 CB VAL A 40 -12.133 -0.791 -14.666 1.00 0.00 C ATOM 634 CG1 VAL A 40 -11.354 0.408 -14.120 1.00 0.00 C ATOM 635 CG2 VAL A 40 -11.338 -1.438 -15.803 1.00 0.00 C ATOM 0 H VAL A 40 -13.769 -2.873 -14.741 1.00 0.00 H new ATOM 0 HA VAL A 40 -11.388 -2.082 -13.103 1.00 0.00 H new ATOM 0 HB VAL A 40 -13.100 -0.457 -15.041 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -11.202 1.136 -14.916 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -11.918 0.869 -13.309 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -10.387 0.073 -13.745 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -11.186 -0.711 -16.600 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -10.371 -1.772 -15.427 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -11.891 -2.293 -16.193 1.00 0.00 H new ATOM 645 N TYR A 41 -12.646 -0.617 -11.463 1.00 0.00 N ATOM 646 CA TYR A 41 -13.454 0.004 -10.375 1.00 0.00 C ATOM 647 C TYR A 41 -12.845 1.360 -10.006 1.00 0.00 C ATOM 648 O TYR A 41 -11.645 1.545 -10.050 1.00 0.00 O ATOM 649 CB TYR A 41 -13.451 -0.912 -9.147 1.00 0.00 C ATOM 650 CG TYR A 41 -14.798 -0.842 -8.465 1.00 0.00 C ATOM 651 CD1 TYR A 41 -15.826 -1.714 -8.850 1.00 0.00 C ATOM 652 CD2 TYR A 41 -15.019 0.095 -7.447 1.00 0.00 C ATOM 653 CE1 TYR A 41 -17.074 -1.648 -8.217 1.00 0.00 C ATOM 654 CE2 TYR A 41 -16.268 0.161 -6.814 1.00 0.00 C ATOM 655 CZ TYR A 41 -17.295 -0.710 -7.201 1.00 0.00 C ATOM 656 OH TYR A 41 -18.526 -0.644 -6.578 1.00 0.00 O ATOM 0 H TYR A 41 -11.635 -0.539 -11.350 1.00 0.00 H new ATOM 0 HA TYR A 41 -14.480 0.145 -10.716 1.00 0.00 H new ATOM 0 HB2 TYR A 41 -13.235 -1.938 -9.445 1.00 0.00 H new ATOM 0 HB3 TYR A 41 -12.665 -0.609 -8.456 1.00 0.00 H new ATOM 0 HD1 TYR A 41 -15.656 -2.437 -9.634 1.00 0.00 H new ATOM 0 HD2 TYR A 41 -14.227 0.766 -7.150 1.00 0.00 H new ATOM 0 HE1 TYR A 41 -17.866 -2.321 -8.513 1.00 0.00 H new ATOM 0 HE2 TYR A 41 -16.438 0.883 -6.029 1.00 0.00 H new ATOM 0 HH TYR A 41 -18.510 0.060 -5.896 1.00 0.00 H new ATOM 666 N PHE A 42 -13.662 2.314 -9.647 1.00 0.00 N ATOM 667 CA PHE A 42 -13.128 3.657 -9.281 1.00 0.00 C ATOM 668 C PHE A 42 -13.029 3.774 -7.760 1.00 0.00 C ATOM 669 O PHE A 42 -13.905 3.340 -7.036 1.00 0.00 O ATOM 670 CB PHE A 42 -14.069 4.742 -9.812 1.00 0.00 C ATOM 671 CG PHE A 42 -15.407 4.632 -9.120 1.00 0.00 C ATOM 672 CD1 PHE A 42 -15.602 5.237 -7.871 1.00 0.00 C ATOM 673 CD2 PHE A 42 -16.455 3.926 -9.727 1.00 0.00 C ATOM 674 CE1 PHE A 42 -16.843 5.135 -7.228 1.00 0.00 C ATOM 675 CE2 PHE A 42 -17.696 3.824 -9.084 1.00 0.00 C ATOM 676 CZ PHE A 42 -17.890 4.429 -7.835 1.00 0.00 C ATOM 0 H PHE A 42 -14.676 2.221 -9.592 1.00 0.00 H new ATOM 0 HA PHE A 42 -12.138 3.783 -9.720 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -13.638 5.728 -9.639 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -14.195 4.634 -10.889 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -14.795 5.782 -7.404 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -16.306 3.461 -10.690 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -16.992 5.600 -6.265 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -18.503 3.279 -9.551 1.00 0.00 H new ATOM 0 HZ PHE A 42 -18.847 4.351 -7.340 1.00 0.00 H new ATOM 727 N ILE A 46 -7.980 6.553 -7.778 1.00 0.00 N ATOM 728 CA ILE A 46 -7.196 5.398 -8.301 1.00 0.00 C ATOM 729 C ILE A 46 -8.155 4.369 -8.896 1.00 0.00 C ATOM 730 O ILE A 46 -9.340 4.388 -8.625 1.00 0.00 O ATOM 731 CB ILE A 46 -6.407 4.758 -7.157 1.00 0.00 C ATOM 732 CG1 ILE A 46 -5.560 5.827 -6.463 1.00 0.00 C ATOM 733 CG2 ILE A 46 -5.491 3.667 -7.715 1.00 0.00 C ATOM 734 CD1 ILE A 46 -5.775 5.746 -4.951 1.00 0.00 C ATOM 0 HA ILE A 46 -6.504 5.742 -9.070 1.00 0.00 H new ATOM 0 HB ILE A 46 -7.100 4.318 -6.440 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -4.506 5.681 -6.699 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -5.834 6.817 -6.828 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -4.929 3.211 -6.900 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -6.093 2.905 -8.211 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -4.798 4.106 -8.432 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -5.172 6.507 -4.456 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -6.828 5.913 -4.724 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -5.479 4.760 -4.594 1.00 0.00 H new ATOM 746 N PHE A 47 -7.664 3.470 -9.703 1.00 0.00 N ATOM 747 CA PHE A 47 -8.567 2.451 -10.301 1.00 0.00 C ATOM 748 C PHE A 47 -8.332 1.106 -9.612 1.00 0.00 C ATOM 749 O PHE A 47 -7.397 0.946 -8.853 1.00 0.00 O ATOM 750 CB PHE A 47 -8.272 2.327 -11.797 1.00 0.00 C ATOM 751 CG PHE A 47 -8.447 3.676 -12.455 1.00 0.00 C ATOM 752 CD1 PHE A 47 -9.711 4.277 -12.497 1.00 0.00 C ATOM 753 CD2 PHE A 47 -7.342 4.326 -13.023 1.00 0.00 C ATOM 754 CE1 PHE A 47 -9.872 5.529 -13.106 1.00 0.00 C ATOM 755 CE2 PHE A 47 -7.504 5.578 -13.633 1.00 0.00 C ATOM 756 CZ PHE A 47 -8.769 6.179 -13.674 1.00 0.00 C ATOM 0 H PHE A 47 -6.683 3.398 -9.972 1.00 0.00 H new ATOM 0 HA PHE A 47 -9.606 2.751 -10.165 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -7.256 1.964 -11.950 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -8.942 1.598 -12.252 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -10.562 3.776 -12.060 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -6.367 3.863 -12.991 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -10.847 5.993 -13.137 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -6.654 6.079 -14.071 1.00 0.00 H new ATOM 0 HZ PHE A 47 -8.894 7.144 -14.144 1.00 0.00 H new ATOM 766 N LYS A 48 -9.174 0.141 -9.861 1.00 0.00 N ATOM 767 CA LYS A 48 -8.993 -1.188 -9.213 1.00 0.00 C ATOM 768 C LYS A 48 -9.416 -2.291 -10.183 1.00 0.00 C ATOM 769 O LYS A 48 -10.433 -2.197 -10.840 1.00 0.00 O ATOM 770 CB LYS A 48 -9.853 -1.260 -7.950 1.00 0.00 C ATOM 771 CG LYS A 48 -8.946 -1.380 -6.724 1.00 0.00 C ATOM 772 CD LYS A 48 -9.491 -0.503 -5.597 1.00 0.00 C ATOM 773 CE LYS A 48 -10.133 -1.388 -4.527 1.00 0.00 C ATOM 774 NZ LYS A 48 -10.230 -0.631 -3.249 1.00 0.00 N ATOM 0 H LYS A 48 -9.978 0.215 -10.484 1.00 0.00 H new ATOM 0 HA LYS A 48 -7.945 -1.323 -8.947 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -10.476 -0.369 -7.870 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -10.526 -2.116 -8.003 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -8.894 -2.419 -6.398 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -7.931 -1.074 -6.978 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -8.686 0.088 -5.160 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -10.225 0.200 -5.991 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -11.124 -1.706 -4.850 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -9.540 -2.291 -4.383 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -10.666 -1.233 -2.521 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -9.278 -0.349 -2.940 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -10.813 0.218 -3.392 1.00 0.00 H new ATOM 788 N VAL A 49 -8.640 -3.334 -10.284 1.00 0.00 N ATOM 789 CA VAL A 49 -8.998 -4.439 -11.216 1.00 0.00 C ATOM 790 C VAL A 49 -9.538 -5.630 -10.422 1.00 0.00 C ATOM 791 O VAL A 49 -8.855 -6.198 -9.591 1.00 0.00 O ATOM 792 CB VAL A 49 -7.754 -4.875 -11.992 1.00 0.00 C ATOM 793 CG1 VAL A 49 -8.128 -5.982 -12.979 1.00 0.00 C ATOM 794 CG2 VAL A 49 -7.189 -3.680 -12.761 1.00 0.00 C ATOM 0 H VAL A 49 -7.774 -3.469 -9.762 1.00 0.00 H new ATOM 0 HA VAL A 49 -9.761 -4.089 -11.911 1.00 0.00 H new ATOM 0 HB VAL A 49 -7.004 -5.248 -11.294 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -7.241 -6.292 -13.531 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -8.532 -6.835 -12.433 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -8.878 -5.609 -13.677 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -6.302 -3.990 -13.314 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -7.940 -3.308 -13.458 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -6.921 -2.890 -12.060 1.00 0.00 H new ATOM 804 N ARG A 50 -10.756 -6.021 -10.676 1.00 0.00 N ATOM 805 CA ARG A 50 -11.335 -7.180 -9.942 1.00 0.00 C ATOM 806 C ARG A 50 -11.226 -8.430 -10.816 1.00 0.00 C ATOM 807 O ARG A 50 -11.745 -8.476 -11.916 1.00 0.00 O ATOM 808 CB ARG A 50 -12.806 -6.901 -9.626 1.00 0.00 C ATOM 809 CG ARG A 50 -12.901 -5.851 -8.517 1.00 0.00 C ATOM 810 CD ARG A 50 -13.676 -6.427 -7.331 1.00 0.00 C ATOM 811 NE ARG A 50 -15.084 -5.941 -7.374 1.00 0.00 N ATOM 812 CZ ARG A 50 -16.060 -6.740 -7.037 1.00 0.00 C ATOM 813 NH1 ARG A 50 -15.929 -7.534 -6.010 1.00 0.00 N ATOM 814 NH2 ARG A 50 -17.167 -6.744 -7.729 1.00 0.00 N ATOM 0 H ARG A 50 -11.375 -5.587 -11.361 1.00 0.00 H new ATOM 0 HA ARG A 50 -10.791 -7.336 -9.010 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -13.320 -6.548 -10.520 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -13.302 -7.820 -9.314 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -11.902 -5.550 -8.200 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -13.400 -4.957 -8.891 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -13.655 -7.516 -7.364 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -13.205 -6.127 -6.395 1.00 0.00 H new ATOM 0 HE ARG A 50 -15.285 -4.985 -7.667 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -15.064 -7.531 -5.470 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -16.692 -8.158 -5.747 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -17.269 -6.123 -8.532 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -17.930 -7.368 -7.467 1.00 0.00 H new ATOM 828 N LEU A 51 -10.551 -9.444 -10.343 1.00 0.00 N ATOM 829 CA LEU A 51 -10.409 -10.685 -11.158 1.00 0.00 C ATOM 830 C LEU A 51 -11.615 -11.597 -10.922 1.00 0.00 C ATOM 831 O LEU A 51 -11.577 -12.493 -10.103 1.00 0.00 O ATOM 832 CB LEU A 51 -9.127 -11.417 -10.757 1.00 0.00 C ATOM 833 CG LEU A 51 -8.385 -11.875 -12.015 1.00 0.00 C ATOM 834 CD1 LEU A 51 -9.342 -12.660 -12.914 1.00 0.00 C ATOM 835 CD2 LEU A 51 -7.867 -10.651 -12.773 1.00 0.00 C ATOM 0 H LEU A 51 -10.094 -9.467 -9.431 1.00 0.00 H new ATOM 0 HA LEU A 51 -10.359 -10.419 -12.214 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -8.490 -10.759 -10.166 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -9.367 -12.276 -10.131 1.00 0.00 H new ATOM 0 HG LEU A 51 -7.547 -12.511 -11.731 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -8.814 -12.986 -13.810 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -9.715 -13.531 -12.375 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -10.179 -12.023 -13.198 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -7.338 -10.975 -13.669 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -8.707 -10.016 -13.057 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -7.187 -10.088 -12.134 1.00 0.00 H new ATOM 847 N LEU A 52 -12.683 -11.375 -11.637 1.00 0.00 N ATOM 848 CA LEU A 52 -13.892 -12.229 -11.458 1.00 0.00 C ATOM 849 C LEU A 52 -13.524 -13.694 -11.705 1.00 0.00 C ATOM 850 O LEU A 52 -12.783 -14.013 -12.613 1.00 0.00 O ATOM 851 CB LEU A 52 -14.967 -11.800 -12.461 1.00 0.00 C ATOM 852 CG LEU A 52 -16.240 -11.402 -11.710 1.00 0.00 C ATOM 853 CD1 LEU A 52 -16.041 -10.031 -11.060 1.00 0.00 C ATOM 854 CD2 LEU A 52 -17.410 -11.333 -12.694 1.00 0.00 C ATOM 0 H LEU A 52 -12.771 -10.639 -12.338 1.00 0.00 H new ATOM 0 HA LEU A 52 -14.271 -12.116 -10.442 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -14.608 -10.962 -13.058 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -15.180 -12.616 -13.152 1.00 0.00 H new ATOM 0 HG LEU A 52 -16.454 -12.142 -10.939 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -16.947 -9.747 -10.525 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -15.206 -10.078 -10.361 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -15.828 -9.290 -11.831 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -18.318 -11.050 -12.161 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -17.195 -10.592 -13.464 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -17.552 -12.308 -13.159 1.00 0.00 H new ATOM 866 N GLY A 53 -14.038 -14.588 -10.903 1.00 0.00 N ATOM 867 CA GLY A 53 -13.719 -16.032 -11.096 1.00 0.00 C ATOM 868 C GLY A 53 -12.836 -16.523 -9.947 1.00 0.00 C ATOM 869 O GLY A 53 -13.018 -17.608 -9.433 1.00 0.00 O ATOM 0 H GLY A 53 -14.664 -14.381 -10.124 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -14.639 -16.615 -11.135 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -13.208 -16.177 -12.048 1.00 0.00 H new ATOM 873 N TYR A 54 -11.879 -15.733 -9.540 1.00 0.00 N ATOM 874 CA TYR A 54 -10.986 -16.160 -8.426 1.00 0.00 C ATOM 875 C TYR A 54 -11.677 -15.900 -7.087 1.00 0.00 C ATOM 876 O TYR A 54 -11.457 -16.599 -6.118 1.00 0.00 O ATOM 877 CB TYR A 54 -9.679 -15.368 -8.490 1.00 0.00 C ATOM 878 CG TYR A 54 -8.511 -16.316 -8.360 1.00 0.00 C ATOM 879 CD1 TYR A 54 -8.309 -17.313 -9.323 1.00 0.00 C ATOM 880 CD2 TYR A 54 -7.629 -16.199 -7.277 1.00 0.00 C ATOM 881 CE1 TYR A 54 -7.228 -18.195 -9.203 1.00 0.00 C ATOM 882 CE2 TYR A 54 -6.546 -17.080 -7.157 1.00 0.00 C ATOM 883 CZ TYR A 54 -6.345 -18.078 -8.121 1.00 0.00 C ATOM 884 OH TYR A 54 -5.279 -18.946 -8.003 1.00 0.00 O ATOM 0 H TYR A 54 -11.678 -14.812 -9.930 1.00 0.00 H new ATOM 0 HA TYR A 54 -10.771 -17.224 -8.520 1.00 0.00 H new ATOM 0 HB2 TYR A 54 -9.617 -14.824 -9.432 1.00 0.00 H new ATOM 0 HB3 TYR A 54 -9.651 -14.627 -7.691 1.00 0.00 H new ATOM 0 HD1 TYR A 54 -8.987 -17.402 -10.159 1.00 0.00 H new ATOM 0 HD2 TYR A 54 -7.784 -15.430 -6.535 1.00 0.00 H new ATOM 0 HE1 TYR A 54 -7.075 -18.965 -9.944 1.00 0.00 H new ATOM 0 HE2 TYR A 54 -5.866 -16.990 -6.322 1.00 0.00 H new ATOM 0 HH TYR A 54 -4.766 -18.726 -7.198 1.00 0.00 H new ATOM 894 N GLU A 55 -12.511 -14.900 -7.024 1.00 0.00 N ATOM 895 CA GLU A 55 -13.214 -14.597 -5.746 1.00 0.00 C ATOM 896 C GLU A 55 -12.187 -14.227 -4.673 1.00 0.00 C ATOM 897 O GLU A 55 -11.767 -15.054 -3.891 1.00 0.00 O ATOM 898 CB GLU A 55 -14.002 -15.829 -5.293 1.00 0.00 C ATOM 899 CG GLU A 55 -15.191 -15.386 -4.439 1.00 0.00 C ATOM 900 CD GLU A 55 -14.968 -15.821 -2.990 1.00 0.00 C ATOM 901 OE1 GLU A 55 -15.320 -16.944 -2.668 1.00 0.00 O ATOM 902 OE2 GLU A 55 -14.448 -15.024 -2.227 1.00 0.00 O ATOM 0 H GLU A 55 -12.736 -14.280 -7.802 1.00 0.00 H new ATOM 0 HA GLU A 55 -13.898 -13.762 -5.897 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -14.352 -16.390 -6.160 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -13.358 -16.496 -4.721 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -15.307 -14.303 -4.491 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -16.112 -15.824 -4.824 1.00 0.00 H new ATOM 909 N GLY A 56 -11.780 -12.987 -4.631 1.00 0.00 N ATOM 910 CA GLY A 56 -10.781 -12.565 -3.609 1.00 0.00 C ATOM 911 C GLY A 56 -9.593 -11.891 -4.299 1.00 0.00 C ATOM 912 O GLY A 56 -8.842 -11.158 -3.687 1.00 0.00 O ATOM 0 H GLY A 56 -12.096 -12.249 -5.260 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -11.240 -11.877 -2.899 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -10.441 -13.430 -3.040 1.00 0.00 H new ATOM 916 N HIS A 57 -9.416 -12.135 -5.568 1.00 0.00 N ATOM 917 CA HIS A 57 -8.276 -11.508 -6.295 1.00 0.00 C ATOM 918 C HIS A 57 -8.542 -10.013 -6.477 1.00 0.00 C ATOM 919 O HIS A 57 -9.192 -9.596 -7.419 1.00 0.00 O ATOM 920 CB HIS A 57 -8.123 -12.170 -7.666 1.00 0.00 C ATOM 921 CG HIS A 57 -6.737 -12.740 -7.793 1.00 0.00 C ATOM 922 ND1 HIS A 57 -6.369 -13.557 -8.850 1.00 0.00 N ATOM 923 CD2 HIS A 57 -5.619 -12.618 -7.006 1.00 0.00 C ATOM 924 CE1 HIS A 57 -5.078 -13.892 -8.672 1.00 0.00 C ATOM 925 NE2 HIS A 57 -4.572 -13.347 -7.563 1.00 0.00 N ATOM 0 H HIS A 57 -10.011 -12.741 -6.133 1.00 0.00 H new ATOM 0 HA HIS A 57 -7.360 -11.644 -5.719 1.00 0.00 H new ATOM 0 HB2 HIS A 57 -8.865 -12.959 -7.786 1.00 0.00 H new ATOM 0 HB3 HIS A 57 -8.302 -11.441 -8.456 1.00 0.00 H new ATOM 0 HD2 HIS A 57 -5.561 -12.044 -6.093 1.00 0.00 H new ATOM 0 HE1 HIS A 57 -4.519 -14.525 -9.345 1.00 0.00 H new ATOM 0 HE2 HIS A 57 -3.623 -13.444 -7.202 1.00 0.00 H new ATOM 933 N GLU A 58 -8.043 -9.201 -5.583 1.00 0.00 N ATOM 934 CA GLU A 58 -8.264 -7.733 -5.701 1.00 0.00 C ATOM 935 C GLU A 58 -6.955 -7.054 -6.108 1.00 0.00 C ATOM 936 O GLU A 58 -6.043 -6.911 -5.317 1.00 0.00 O ATOM 937 CB GLU A 58 -8.732 -7.178 -4.354 1.00 0.00 C ATOM 938 CG GLU A 58 -9.742 -6.053 -4.587 1.00 0.00 C ATOM 939 CD GLU A 58 -10.557 -5.827 -3.313 1.00 0.00 C ATOM 940 OE1 GLU A 58 -10.562 -6.710 -2.472 1.00 0.00 O ATOM 941 OE2 GLU A 58 -11.163 -4.774 -3.200 1.00 0.00 O ATOM 0 H GLU A 58 -7.492 -9.493 -4.776 1.00 0.00 H new ATOM 0 HA GLU A 58 -9.025 -7.538 -6.457 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -9.186 -7.971 -3.760 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -7.879 -6.804 -3.787 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -9.223 -5.136 -4.867 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -10.404 -6.310 -5.414 1.00 0.00 H new ATOM 948 N CYS A 59 -6.855 -6.634 -7.339 1.00 0.00 N ATOM 949 CA CYS A 59 -5.608 -5.963 -7.795 1.00 0.00 C ATOM 950 C CYS A 59 -5.843 -4.454 -7.853 1.00 0.00 C ATOM 951 O CYS A 59 -6.964 -3.995 -7.940 1.00 0.00 O ATOM 952 CB CYS A 59 -5.227 -6.473 -9.189 1.00 0.00 C ATOM 953 SG CYS A 59 -5.635 -8.231 -9.329 1.00 0.00 S ATOM 0 H CYS A 59 -7.583 -6.727 -8.047 1.00 0.00 H new ATOM 0 HA CYS A 59 -4.800 -6.184 -7.098 1.00 0.00 H new ATOM 0 HB2 CYS A 59 -5.758 -5.905 -9.952 1.00 0.00 H new ATOM 0 HB3 CYS A 59 -4.162 -6.322 -9.363 1.00 0.00 H new ATOM 0 HG CYS A 59 -5.312 -8.658 -10.514 1.00 0.00 H new ATOM 959 N ILE A 60 -4.797 -3.679 -7.806 1.00 0.00 N ATOM 960 CA ILE A 60 -4.965 -2.202 -7.864 1.00 0.00 C ATOM 961 C ILE A 60 -4.584 -1.711 -9.260 1.00 0.00 C ATOM 962 O ILE A 60 -3.533 -2.034 -9.776 1.00 0.00 O ATOM 963 CB ILE A 60 -4.062 -1.540 -6.820 1.00 0.00 C ATOM 964 CG1 ILE A 60 -2.596 -1.794 -7.181 1.00 0.00 C ATOM 965 CG2 ILE A 60 -4.356 -2.135 -5.442 1.00 0.00 C ATOM 966 CD1 ILE A 60 -1.689 -1.147 -6.132 1.00 0.00 C ATOM 0 H ILE A 60 -3.833 -4.005 -7.730 1.00 0.00 H new ATOM 0 HA ILE A 60 -6.002 -1.941 -7.654 1.00 0.00 H new ATOM 0 HB ILE A 60 -4.253 -0.467 -6.802 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -2.404 -2.866 -7.231 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -2.378 -1.385 -8.167 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -3.714 -1.664 -4.698 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -5.400 -1.958 -5.184 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -4.164 -3.208 -5.460 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -0.646 -1.329 -6.391 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -1.874 -0.073 -6.104 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -1.900 -1.577 -5.153 1.00 0.00 H new ATOM 978 N LEU A 61 -5.432 -0.939 -9.878 1.00 0.00 N ATOM 979 CA LEU A 61 -5.117 -0.439 -11.243 1.00 0.00 C ATOM 980 C LEU A 61 -4.567 0.985 -11.155 1.00 0.00 C ATOM 981 O LEU A 61 -5.284 1.930 -10.870 1.00 0.00 O ATOM 982 CB LEU A 61 -6.387 -0.448 -12.095 1.00 0.00 C ATOM 983 CG LEU A 61 -6.073 0.115 -13.483 1.00 0.00 C ATOM 984 CD1 LEU A 61 -5.166 -0.860 -14.236 1.00 0.00 C ATOM 985 CD2 LEU A 61 -7.376 0.301 -14.264 1.00 0.00 C ATOM 0 H LEU A 61 -6.328 -0.633 -9.498 1.00 0.00 H new ATOM 0 HA LEU A 61 -4.369 -1.085 -11.702 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -6.773 -1.464 -12.181 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -7.164 0.148 -11.616 1.00 0.00 H new ATOM 0 HG LEU A 61 -5.569 1.076 -13.379 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -4.942 -0.459 -15.225 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -4.238 -0.996 -13.681 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -5.671 -1.820 -14.340 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -7.153 0.702 -15.253 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -7.879 -0.661 -14.367 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -8.025 0.994 -13.729 1.00 0.00 H new ATOM 997 N LEU A 62 -3.296 1.144 -11.402 1.00 0.00 N ATOM 998 CA LEU A 62 -2.683 2.498 -11.345 1.00 0.00 C ATOM 999 C LEU A 62 -2.419 2.990 -12.766 1.00 0.00 C ATOM 1000 O LEU A 62 -1.841 4.038 -12.972 1.00 0.00 O ATOM 1001 CB LEU A 62 -1.360 2.425 -10.579 1.00 0.00 C ATOM 1002 CG LEU A 62 -1.587 2.831 -9.123 1.00 0.00 C ATOM 1003 CD1 LEU A 62 -2.034 4.293 -9.062 1.00 0.00 C ATOM 1004 CD2 LEU A 62 -2.671 1.941 -8.512 1.00 0.00 C ATOM 0 H LEU A 62 -2.653 0.389 -11.642 1.00 0.00 H new ATOM 0 HA LEU A 62 -3.360 3.186 -10.838 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -0.956 1.414 -10.626 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -0.624 3.084 -11.040 1.00 0.00 H new ATOM 0 HG LEU A 62 -0.659 2.713 -8.564 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -2.195 4.581 -8.023 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -1.263 4.928 -9.499 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -2.962 4.413 -9.620 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -2.835 2.228 -7.473 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -3.598 2.060 -9.072 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -2.353 0.899 -8.554 1.00 0.00 H new ATOM 1324 N VAL A 80 -15.915 3.401 -16.265 1.00 0.00 N ATOM 1325 CA VAL A 80 -15.338 2.472 -15.252 1.00 0.00 C ATOM 1326 C VAL A 80 -16.164 1.188 -15.218 1.00 0.00 C ATOM 1327 O VAL A 80 -17.258 1.128 -15.744 1.00 0.00 O ATOM 1328 CB VAL A 80 -15.359 3.131 -13.874 1.00 0.00 C ATOM 1329 CG1 VAL A 80 -14.718 2.193 -12.848 1.00 0.00 C ATOM 1330 CG2 VAL A 80 -14.571 4.442 -13.925 1.00 0.00 C ATOM 0 HA VAL A 80 -14.308 2.238 -15.520 1.00 0.00 H new ATOM 0 HB VAL A 80 -16.390 3.335 -13.585 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -14.733 2.664 -11.865 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -15.277 1.258 -12.811 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -13.687 1.989 -13.136 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -14.585 4.913 -12.942 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -13.540 4.236 -14.214 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -15.026 5.112 -14.655 1.00 0.00 H new ATOM 1340 N GLY A 81 -15.651 0.159 -14.611 1.00 0.00 N ATOM 1341 CA GLY A 81 -16.408 -1.122 -14.558 1.00 0.00 C ATOM 1342 C GLY A 81 -16.090 -1.943 -15.808 1.00 0.00 C ATOM 1343 O GLY A 81 -15.777 -3.115 -15.726 1.00 0.00 O ATOM 0 H GLY A 81 -14.742 0.147 -14.149 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -16.138 -1.681 -13.662 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -17.478 -0.924 -14.500 1.00 0.00 H new ATOM 1347 N ARG A 82 -16.164 -1.330 -16.962 1.00 0.00 N ATOM 1348 CA ARG A 82 -15.870 -2.062 -18.229 1.00 0.00 C ATOM 1349 C ARG A 82 -14.693 -3.017 -18.021 1.00 0.00 C ATOM 1350 O ARG A 82 -13.879 -2.833 -17.139 1.00 0.00 O ATOM 1351 CB ARG A 82 -15.519 -1.055 -19.327 1.00 0.00 C ATOM 1352 CG ARG A 82 -16.690 -0.934 -20.305 1.00 0.00 C ATOM 1353 CD ARG A 82 -16.330 0.058 -21.413 1.00 0.00 C ATOM 1354 NE ARG A 82 -16.078 -0.680 -22.682 1.00 0.00 N ATOM 1355 CZ ARG A 82 -15.487 -0.081 -23.680 1.00 0.00 C ATOM 1356 NH1 ARG A 82 -15.841 1.131 -24.016 1.00 0.00 N ATOM 1357 NH2 ARG A 82 -14.542 -0.690 -24.342 1.00 0.00 N ATOM 0 H ARG A 82 -16.417 -0.349 -17.081 1.00 0.00 H new ATOM 0 HA ARG A 82 -16.749 -2.636 -18.522 1.00 0.00 H new ATOM 0 HB2 ARG A 82 -15.298 -0.083 -18.886 1.00 0.00 H new ATOM 0 HB3 ARG A 82 -14.622 -1.376 -19.856 1.00 0.00 H new ATOM 0 HG2 ARG A 82 -16.920 -1.909 -20.736 1.00 0.00 H new ATOM 0 HG3 ARG A 82 -17.584 -0.599 -19.779 1.00 0.00 H new ATOM 0 HD2 ARG A 82 -17.140 0.774 -21.552 1.00 0.00 H new ATOM 0 HD3 ARG A 82 -15.445 0.629 -21.131 1.00 0.00 H new ATOM 0 HE ARG A 82 -16.367 -1.654 -22.771 1.00 0.00 H new ATOM 0 HH11 ARG A 82 -16.579 1.609 -23.499 1.00 0.00 H new ATOM 0 HH12 ARG A 82 -15.379 1.599 -24.796 1.00 0.00 H new ATOM 0 HH21 ARG A 82 -14.264 -1.636 -24.080 1.00 0.00 H new ATOM 0 HH22 ARG A 82 -14.081 -0.220 -25.122 1.00 0.00 H new ATOM 1371 N VAL A 83 -14.598 -4.036 -18.832 1.00 0.00 N ATOM 1372 CA VAL A 83 -13.476 -5.004 -18.685 1.00 0.00 C ATOM 1373 C VAL A 83 -12.379 -4.657 -19.691 1.00 0.00 C ATOM 1374 O VAL A 83 -12.648 -4.213 -20.789 1.00 0.00 O ATOM 1375 CB VAL A 83 -13.984 -6.422 -18.959 1.00 0.00 C ATOM 1376 CG1 VAL A 83 -12.967 -7.440 -18.438 1.00 0.00 C ATOM 1377 CG2 VAL A 83 -15.324 -6.632 -18.251 1.00 0.00 C ATOM 0 H VAL A 83 -15.250 -4.239 -19.590 1.00 0.00 H new ATOM 0 HA VAL A 83 -13.078 -4.951 -17.672 1.00 0.00 H new ATOM 0 HB VAL A 83 -14.116 -6.557 -20.033 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -13.330 -8.449 -18.633 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -12.013 -7.293 -18.944 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -12.833 -7.304 -17.365 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -15.685 -7.642 -18.447 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -15.194 -6.495 -17.178 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -16.050 -5.909 -18.624 1.00 0.00 H new ATOM 1387 N ILE A 84 -11.144 -4.856 -19.324 1.00 0.00 N ATOM 1388 CA ILE A 84 -10.030 -4.538 -20.261 1.00 0.00 C ATOM 1389 C ILE A 84 -8.858 -5.488 -20.007 1.00 0.00 C ATOM 1390 O ILE A 84 -8.789 -6.146 -18.987 1.00 0.00 O ATOM 1391 CB ILE A 84 -9.563 -3.092 -20.047 1.00 0.00 C ATOM 1392 CG1 ILE A 84 -8.784 -2.989 -18.728 1.00 0.00 C ATOM 1393 CG2 ILE A 84 -10.772 -2.152 -20.009 1.00 0.00 C ATOM 1394 CD1 ILE A 84 -9.628 -3.528 -17.570 1.00 0.00 C ATOM 0 H ILE A 84 -10.858 -5.225 -18.417 1.00 0.00 H new ATOM 0 HA ILE A 84 -10.384 -4.656 -21.285 1.00 0.00 H new ATOM 0 HB ILE A 84 -8.913 -2.802 -20.873 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -7.854 -3.552 -18.802 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -8.514 -1.950 -18.537 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -10.432 -1.128 -19.857 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -11.314 -2.218 -20.952 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -11.432 -2.441 -19.191 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -9.064 -3.449 -16.641 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -10.546 -2.946 -17.487 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -9.876 -4.573 -17.756 1.00 0.00 H new ATOM 1406 N LYS A 85 -7.934 -5.559 -20.926 1.00 0.00 N ATOM 1407 CA LYS A 85 -6.763 -6.462 -20.739 1.00 0.00 C ATOM 1408 C LYS A 85 -5.570 -5.643 -20.244 1.00 0.00 C ATOM 1409 O LYS A 85 -4.941 -4.926 -20.997 1.00 0.00 O ATOM 1410 CB LYS A 85 -6.412 -7.123 -22.074 1.00 0.00 C ATOM 1411 CG LYS A 85 -5.176 -8.007 -21.897 1.00 0.00 C ATOM 1412 CD LYS A 85 -4.633 -8.406 -23.271 1.00 0.00 C ATOM 1413 CE LYS A 85 -5.238 -9.747 -23.689 1.00 0.00 C ATOM 1414 NZ LYS A 85 -6.501 -9.508 -24.443 1.00 0.00 N ATOM 0 H LYS A 85 -7.939 -5.031 -21.798 1.00 0.00 H new ATOM 0 HA LYS A 85 -7.006 -7.232 -20.007 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -7.252 -7.721 -22.428 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -6.222 -6.361 -22.830 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -4.411 -7.473 -21.333 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -5.432 -8.897 -21.323 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -4.877 -7.640 -24.007 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -3.546 -8.480 -23.237 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -4.531 -10.300 -24.308 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -5.437 -10.358 -22.809 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -6.576 -10.194 -25.221 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -7.313 -9.619 -23.803 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -6.496 -8.543 -24.832 1.00 0.00 H new ATOM 1428 N THR A 86 -5.255 -5.741 -18.983 1.00 0.00 N ATOM 1429 CA THR A 86 -4.105 -4.965 -18.439 1.00 0.00 C ATOM 1430 C THR A 86 -2.990 -5.928 -18.026 1.00 0.00 C ATOM 1431 O THR A 86 -3.144 -7.131 -18.089 1.00 0.00 O ATOM 1432 CB THR A 86 -4.564 -4.158 -17.223 1.00 0.00 C ATOM 1433 OG1 THR A 86 -5.277 -5.008 -16.334 1.00 0.00 O ATOM 1434 CG2 THR A 86 -5.474 -3.018 -17.681 1.00 0.00 C ATOM 0 H THR A 86 -5.744 -6.325 -18.305 1.00 0.00 H new ATOM 0 HA THR A 86 -3.730 -4.285 -19.204 1.00 0.00 H new ATOM 0 HB THR A 86 -3.695 -3.744 -16.711 1.00 0.00 H new ATOM 0 HG1 THR A 86 -5.832 -4.465 -15.737 1.00 0.00 H new ATOM 0 HG21 THR A 86 -5.801 -2.443 -16.815 1.00 0.00 H new ATOM 0 HG22 THR A 86 -4.927 -2.367 -18.363 1.00 0.00 H new ATOM 0 HG23 THR A 86 -6.344 -3.430 -18.192 1.00 0.00 H new ATOM 1442 N ARG A 87 -1.865 -5.413 -17.607 1.00 0.00 N ATOM 1443 CA ARG A 87 -0.749 -6.311 -17.198 1.00 0.00 C ATOM 1444 C ARG A 87 -0.720 -6.426 -15.672 1.00 0.00 C ATOM 1445 O ARG A 87 -1.159 -5.543 -14.966 1.00 0.00 O ATOM 1446 CB ARG A 87 0.586 -5.737 -17.688 1.00 0.00 C ATOM 1447 CG ARG A 87 0.362 -4.891 -18.944 1.00 0.00 C ATOM 1448 CD ARG A 87 -0.484 -5.676 -19.948 1.00 0.00 C ATOM 1449 NE ARG A 87 0.274 -5.834 -21.222 1.00 0.00 N ATOM 1450 CZ ARG A 87 -0.162 -5.269 -22.314 1.00 0.00 C ATOM 1451 NH1 ARG A 87 -1.391 -5.464 -22.703 1.00 0.00 N ATOM 1452 NH2 ARG A 87 0.632 -4.508 -23.016 1.00 0.00 N ATOM 0 H ARG A 87 -1.672 -4.414 -17.531 1.00 0.00 H new ATOM 0 HA ARG A 87 -0.902 -7.296 -17.638 1.00 0.00 H new ATOM 0 HB2 ARG A 87 1.039 -5.128 -16.905 1.00 0.00 H new ATOM 0 HB3 ARG A 87 1.282 -6.547 -17.905 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -0.138 -3.959 -18.682 1.00 0.00 H new ATOM 0 HG3 ARG A 87 1.320 -4.624 -19.391 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -0.737 -6.654 -19.540 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -1.423 -5.155 -20.134 1.00 0.00 H new ATOM 0 HE ARG A 87 1.133 -6.384 -21.240 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -2.012 -6.058 -22.153 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -1.732 -5.022 -23.557 1.00 0.00 H new ATOM 0 HH21 ARG A 87 1.593 -4.355 -22.711 1.00 0.00 H new ATOM 0 HH22 ARG A 87 0.292 -4.066 -23.870 1.00 0.00 H new ATOM 1466 N VAL A 88 -0.197 -7.504 -15.157 1.00 0.00 N ATOM 1467 CA VAL A 88 -0.139 -7.665 -13.677 1.00 0.00 C ATOM 1468 C VAL A 88 1.249 -7.256 -13.190 1.00 0.00 C ATOM 1469 O VAL A 88 2.232 -7.919 -13.455 1.00 0.00 O ATOM 1470 CB VAL A 88 -0.401 -9.125 -13.306 1.00 0.00 C ATOM 1471 CG1 VAL A 88 -0.128 -9.330 -11.815 1.00 0.00 C ATOM 1472 CG2 VAL A 88 -1.861 -9.474 -13.608 1.00 0.00 C ATOM 0 H VAL A 88 0.192 -8.278 -15.695 1.00 0.00 H new ATOM 0 HA VAL A 88 -0.897 -7.037 -13.209 1.00 0.00 H new ATOM 0 HB VAL A 88 0.256 -9.771 -13.888 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -0.315 -10.371 -11.551 1.00 0.00 H new ATOM 0 HG12 VAL A 88 0.911 -9.081 -11.598 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -0.785 -8.684 -11.233 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -2.048 -10.515 -13.344 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -2.518 -8.828 -13.025 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -2.058 -9.328 -14.670 1.00 0.00 H new ATOM 1482 N VAL A 89 1.340 -6.158 -12.493 1.00 0.00 N ATOM 1483 CA VAL A 89 2.667 -5.699 -12.007 1.00 0.00 C ATOM 1484 C VAL A 89 3.241 -6.711 -11.010 1.00 0.00 C ATOM 1485 O VAL A 89 4.434 -6.933 -10.959 1.00 0.00 O ATOM 1486 CB VAL A 89 2.524 -4.338 -11.326 1.00 0.00 C ATOM 1487 CG1 VAL A 89 3.876 -3.623 -11.325 1.00 0.00 C ATOM 1488 CG2 VAL A 89 1.503 -3.493 -12.089 1.00 0.00 C ATOM 0 H VAL A 89 0.553 -5.561 -12.240 1.00 0.00 H new ATOM 0 HA VAL A 89 3.344 -5.612 -12.857 1.00 0.00 H new ATOM 0 HB VAL A 89 2.187 -4.479 -10.299 1.00 0.00 H new ATOM 0 HG11 VAL A 89 3.774 -2.652 -10.839 1.00 0.00 H new ATOM 0 HG12 VAL A 89 4.606 -4.225 -10.783 1.00 0.00 H new ATOM 0 HG13 VAL A 89 4.213 -3.481 -12.352 1.00 0.00 H new ATOM 0 HG21 VAL A 89 1.400 -2.522 -11.605 1.00 0.00 H new ATOM 0 HG22 VAL A 89 1.842 -3.352 -13.115 1.00 0.00 H new ATOM 0 HG23 VAL A 89 0.539 -4.002 -12.091 1.00 0.00 H new ATOM 1498 N ARG A 90 2.404 -7.324 -10.216 1.00 0.00 N ATOM 1499 CA ARG A 90 2.912 -8.314 -9.226 1.00 0.00 C ATOM 1500 C ARG A 90 1.737 -8.903 -8.441 1.00 0.00 C ATOM 1501 O ARG A 90 1.210 -8.286 -7.536 1.00 0.00 O ATOM 1502 CB ARG A 90 3.874 -7.621 -8.257 1.00 0.00 C ATOM 1503 CG ARG A 90 5.202 -8.382 -8.221 1.00 0.00 C ATOM 1504 CD ARG A 90 5.602 -8.644 -6.768 1.00 0.00 C ATOM 1505 NE ARG A 90 7.047 -8.331 -6.585 1.00 0.00 N ATOM 1506 CZ ARG A 90 7.511 -8.068 -5.395 1.00 0.00 C ATOM 1507 NH1 ARG A 90 6.811 -8.374 -4.338 1.00 0.00 N ATOM 1508 NH2 ARG A 90 8.678 -7.498 -5.261 1.00 0.00 N ATOM 0 H ARG A 90 1.394 -7.182 -10.211 1.00 0.00 H new ATOM 0 HA ARG A 90 3.436 -9.113 -9.751 1.00 0.00 H new ATOM 0 HB2 ARG A 90 4.042 -6.590 -8.570 1.00 0.00 H new ATOM 0 HB3 ARG A 90 3.437 -7.584 -7.259 1.00 0.00 H new ATOM 0 HG2 ARG A 90 5.107 -9.325 -8.759 1.00 0.00 H new ATOM 0 HG3 ARG A 90 5.978 -7.805 -8.724 1.00 0.00 H new ATOM 0 HD2 ARG A 90 4.999 -8.032 -6.098 1.00 0.00 H new ATOM 0 HD3 ARG A 90 5.409 -9.685 -6.509 1.00 0.00 H new ATOM 0 HE ARG A 90 7.673 -8.322 -7.390 1.00 0.00 H new ATOM 0 HH11 ARG A 90 5.899 -8.820 -4.441 1.00 0.00 H new ATOM 0 HH12 ARG A 90 7.175 -8.168 -3.408 1.00 0.00 H new ATOM 0 HH21 ARG A 90 9.226 -7.259 -6.087 1.00 0.00 H new ATOM 0 HH22 ARG A 90 9.041 -7.292 -4.330 1.00 0.00 H new ATOM 1522 N ALA A 91 1.326 -10.092 -8.780 1.00 0.00 N ATOM 1523 CA ALA A 91 0.189 -10.725 -8.054 1.00 0.00 C ATOM 1524 C ALA A 91 0.737 -11.644 -6.960 1.00 0.00 C ATOM 1525 O ALA A 91 1.526 -12.530 -7.217 1.00 0.00 O ATOM 1526 CB ALA A 91 -0.652 -11.543 -9.037 1.00 0.00 C ATOM 0 H ALA A 91 1.729 -10.654 -9.530 1.00 0.00 H new ATOM 0 HA ALA A 91 -0.433 -9.952 -7.603 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -1.484 -12.006 -8.506 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -1.039 -10.888 -9.817 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -0.033 -12.318 -9.488 1.00 0.00 H new ATOM 1532 N ASP A 92 0.326 -11.436 -5.739 1.00 0.00 N ATOM 1533 CA ASP A 92 0.827 -12.295 -4.630 1.00 0.00 C ATOM 1534 C ASP A 92 -0.349 -13.001 -3.956 1.00 0.00 C ATOM 1535 O ASP A 92 -0.292 -14.177 -3.656 1.00 0.00 O ATOM 1536 CB ASP A 92 1.558 -11.428 -3.603 1.00 0.00 C ATOM 1537 CG ASP A 92 3.014 -11.882 -3.496 1.00 0.00 C ATOM 1538 OD1 ASP A 92 3.816 -11.426 -4.295 1.00 0.00 O ATOM 1539 OD2 ASP A 92 3.304 -12.678 -2.619 1.00 0.00 O ATOM 0 H ASP A 92 -0.334 -10.709 -5.462 1.00 0.00 H new ATOM 0 HA ASP A 92 1.514 -13.040 -5.032 1.00 0.00 H new ATOM 0 HB2 ASP A 92 1.514 -10.380 -3.899 1.00 0.00 H new ATOM 0 HB3 ASP A 92 1.069 -11.506 -2.632 1.00 0.00 H new ATOM 1544 N GLY A 93 -1.415 -12.291 -3.713 1.00 0.00 N ATOM 1545 CA GLY A 93 -2.594 -12.920 -3.056 1.00 0.00 C ATOM 1546 C GLY A 93 -3.805 -11.992 -3.170 1.00 0.00 C ATOM 1547 O GLY A 93 -4.043 -11.388 -4.196 1.00 0.00 O ATOM 0 H GLY A 93 -1.521 -11.302 -3.941 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -2.814 -13.880 -3.524 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -2.374 -13.120 -2.007 1.00 0.00 H new ATOM 1551 N LEU A 94 -4.575 -11.877 -2.121 1.00 0.00 N ATOM 1552 CA LEU A 94 -5.773 -10.992 -2.167 1.00 0.00 C ATOM 1553 C LEU A 94 -5.372 -9.605 -2.672 1.00 0.00 C ATOM 1554 O LEU A 94 -6.182 -8.872 -3.205 1.00 0.00 O ATOM 1555 CB LEU A 94 -6.367 -10.869 -0.762 1.00 0.00 C ATOM 1556 CG LEU A 94 -7.640 -11.712 -0.668 1.00 0.00 C ATOM 1557 CD1 LEU A 94 -7.319 -13.047 0.005 1.00 0.00 C ATOM 1558 CD2 LEU A 94 -8.685 -10.963 0.162 1.00 0.00 C ATOM 0 H LEU A 94 -4.425 -12.358 -1.234 1.00 0.00 H new ATOM 0 HA LEU A 94 -6.513 -11.421 -2.842 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -5.642 -11.202 -0.019 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -6.592 -9.826 -0.541 1.00 0.00 H new ATOM 0 HG LEU A 94 -8.031 -11.894 -1.669 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -8.226 -13.648 0.072 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -6.573 -13.581 -0.583 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -6.929 -12.865 1.007 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -9.593 -11.562 0.230 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -8.293 -10.782 1.163 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -8.914 -10.010 -0.315 1.00 0.00 H new ATOM 1570 N TYR A 95 -4.131 -9.236 -2.508 1.00 0.00 N ATOM 1571 CA TYR A 95 -3.689 -7.893 -2.978 1.00 0.00 C ATOM 1572 C TYR A 95 -2.719 -8.055 -4.149 1.00 0.00 C ATOM 1573 O TYR A 95 -1.723 -8.744 -4.053 1.00 0.00 O ATOM 1574 CB TYR A 95 -2.990 -7.156 -1.835 1.00 0.00 C ATOM 1575 CG TYR A 95 -3.919 -7.068 -0.647 1.00 0.00 C ATOM 1576 CD1 TYR A 95 -5.166 -6.442 -0.777 1.00 0.00 C ATOM 1577 CD2 TYR A 95 -3.534 -7.614 0.585 1.00 0.00 C ATOM 1578 CE1 TYR A 95 -6.027 -6.361 0.324 1.00 0.00 C ATOM 1579 CE2 TYR A 95 -4.397 -7.532 1.687 1.00 0.00 C ATOM 1580 CZ TYR A 95 -5.643 -6.906 1.557 1.00 0.00 C ATOM 1581 OH TYR A 95 -6.492 -6.826 2.642 1.00 0.00 O ATOM 0 H TYR A 95 -3.406 -9.805 -2.070 1.00 0.00 H new ATOM 0 HA TYR A 95 -4.557 -7.319 -3.303 1.00 0.00 H new ATOM 0 HB2 TYR A 95 -2.075 -7.680 -1.556 1.00 0.00 H new ATOM 0 HB3 TYR A 95 -2.699 -6.156 -2.157 1.00 0.00 H new ATOM 0 HD1 TYR A 95 -5.463 -6.022 -1.727 1.00 0.00 H new ATOM 0 HD2 TYR A 95 -2.573 -8.097 0.685 1.00 0.00 H new ATOM 0 HE1 TYR A 95 -6.988 -5.878 0.223 1.00 0.00 H new ATOM 0 HE2 TYR A 95 -4.101 -7.952 2.637 1.00 0.00 H new ATOM 0 HH TYR A 95 -6.073 -7.254 3.418 1.00 0.00 H new ATOM 1591 N VAL A 96 -3.001 -7.422 -5.255 1.00 0.00 N ATOM 1592 CA VAL A 96 -2.095 -7.539 -6.433 1.00 0.00 C ATOM 1593 C VAL A 96 -1.833 -6.148 -7.016 1.00 0.00 C ATOM 1594 O VAL A 96 -2.509 -5.194 -6.692 1.00 0.00 O ATOM 1595 CB VAL A 96 -2.761 -8.417 -7.495 1.00 0.00 C ATOM 1596 CG1 VAL A 96 -1.984 -8.317 -8.810 1.00 0.00 C ATOM 1597 CG2 VAL A 96 -2.772 -9.872 -7.020 1.00 0.00 C ATOM 0 H VAL A 96 -3.819 -6.829 -5.394 1.00 0.00 H new ATOM 0 HA VAL A 96 -1.150 -7.987 -6.125 1.00 0.00 H new ATOM 0 HB VAL A 96 -3.784 -8.076 -7.654 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -2.461 -8.944 -9.563 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -1.977 -7.282 -9.151 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -0.959 -8.655 -8.654 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -3.246 -10.498 -7.776 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -1.748 -10.210 -6.859 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -3.329 -9.946 -6.086 1.00 0.00 H new ATOM 1607 N ASP A 97 -0.859 -6.027 -7.878 1.00 0.00 N ATOM 1608 CA ASP A 97 -0.562 -4.702 -8.489 1.00 0.00 C ATOM 1609 C ASP A 97 -0.950 -4.745 -9.968 1.00 0.00 C ATOM 1610 O ASP A 97 -0.860 -5.774 -10.606 1.00 0.00 O ATOM 1611 CB ASP A 97 0.931 -4.401 -8.355 1.00 0.00 C ATOM 1612 CG ASP A 97 1.259 -4.097 -6.893 1.00 0.00 C ATOM 1613 OD1 ASP A 97 0.871 -4.883 -6.044 1.00 0.00 O ATOM 1614 OD2 ASP A 97 1.891 -3.084 -6.645 1.00 0.00 O ATOM 0 H ASP A 97 -0.256 -6.791 -8.185 1.00 0.00 H new ATOM 0 HA ASP A 97 -1.129 -3.921 -7.981 1.00 0.00 H new ATOM 0 HB2 ASP A 97 1.517 -5.252 -8.701 1.00 0.00 H new ATOM 0 HB3 ASP A 97 1.200 -3.552 -8.984 1.00 0.00 H new ATOM 1619 N LEU A 98 -1.398 -3.649 -10.519 1.00 0.00 N ATOM 1620 CA LEU A 98 -1.803 -3.668 -11.955 1.00 0.00 C ATOM 1621 C LEU A 98 -1.236 -2.458 -12.697 1.00 0.00 C ATOM 1622 O LEU A 98 -1.412 -1.323 -12.296 1.00 0.00 O ATOM 1623 CB LEU A 98 -3.328 -3.647 -12.051 1.00 0.00 C ATOM 1624 CG LEU A 98 -3.788 -4.693 -13.067 1.00 0.00 C ATOM 1625 CD1 LEU A 98 -3.319 -4.282 -14.461 1.00 0.00 C ATOM 1626 CD2 LEU A 98 -3.186 -6.055 -12.707 1.00 0.00 C ATOM 0 H LEU A 98 -1.500 -2.752 -10.045 1.00 0.00 H new ATOM 0 HA LEU A 98 -1.409 -4.575 -12.414 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -3.768 -3.854 -11.075 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -3.671 -2.657 -12.351 1.00 0.00 H new ATOM 0 HG LEU A 98 -4.876 -4.763 -13.052 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -3.645 -5.025 -15.188 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -3.746 -3.312 -14.717 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -2.231 -4.215 -14.474 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -3.514 -6.801 -13.431 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -2.098 -5.988 -12.723 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -3.517 -6.347 -11.710 1.00 0.00 H new ATOM 1638 N ARG A 99 -0.575 -2.703 -13.796 1.00 0.00 N ATOM 1639 CA ARG A 99 -0.006 -1.590 -14.602 1.00 0.00 C ATOM 1640 C ARG A 99 -0.579 -1.669 -16.019 1.00 0.00 C ATOM 1641 O ARG A 99 -0.624 -2.723 -16.624 1.00 0.00 O ATOM 1642 CB ARG A 99 1.518 -1.723 -14.657 1.00 0.00 C ATOM 1643 CG ARG A 99 1.892 -3.020 -15.378 1.00 0.00 C ATOM 1644 CD ARG A 99 2.551 -2.688 -16.719 1.00 0.00 C ATOM 1645 NE ARG A 99 3.965 -3.156 -16.706 1.00 0.00 N ATOM 1646 CZ ARG A 99 4.755 -2.879 -17.708 1.00 0.00 C ATOM 1647 NH1 ARG A 99 4.827 -3.690 -18.728 1.00 0.00 N ATOM 1648 NH2 ARG A 99 5.475 -1.790 -17.689 1.00 0.00 N ATOM 0 H ARG A 99 -0.405 -3.636 -14.171 1.00 0.00 H new ATOM 0 HA ARG A 99 -0.264 -0.633 -14.149 1.00 0.00 H new ATOM 0 HB2 ARG A 99 1.950 -0.868 -15.177 1.00 0.00 H new ATOM 0 HB3 ARG A 99 1.930 -1.724 -13.648 1.00 0.00 H new ATOM 0 HG2 ARG A 99 2.573 -3.608 -14.762 1.00 0.00 H new ATOM 0 HG3 ARG A 99 1.002 -3.629 -15.539 1.00 0.00 H new ATOM 0 HD2 ARG A 99 2.006 -3.166 -17.533 1.00 0.00 H new ATOM 0 HD3 ARG A 99 2.514 -1.614 -16.899 1.00 0.00 H new ATOM 0 HE ARG A 99 4.317 -3.693 -15.914 1.00 0.00 H new ATOM 0 HH11 ARG A 99 4.266 -4.542 -18.743 1.00 0.00 H new ATOM 0 HH12 ARG A 99 5.445 -3.472 -19.510 1.00 0.00 H new ATOM 0 HH21 ARG A 99 5.420 -1.156 -16.892 1.00 0.00 H new ATOM 0 HH22 ARG A 99 6.092 -1.573 -18.471 1.00 0.00 H new ATOM 1662 N ARG A 100 -1.027 -0.565 -16.551 1.00 0.00 N ATOM 1663 CA ARG A 100 -1.601 -0.585 -17.926 1.00 0.00 C ATOM 1664 C ARG A 100 -0.498 -0.299 -18.946 1.00 0.00 C ATOM 1665 O ARG A 100 0.457 0.396 -18.663 1.00 0.00 O ATOM 1666 CB ARG A 100 -2.690 0.483 -18.040 1.00 0.00 C ATOM 1667 CG ARG A 100 -3.552 0.201 -19.271 1.00 0.00 C ATOM 1668 CD ARG A 100 -4.164 1.508 -19.777 1.00 0.00 C ATOM 1669 NE ARG A 100 -5.646 1.443 -19.655 1.00 0.00 N ATOM 1670 CZ ARG A 100 -6.330 2.529 -19.420 1.00 0.00 C ATOM 1671 NH1 ARG A 100 -5.856 3.690 -19.782 1.00 0.00 N ATOM 1672 NH2 ARG A 100 -7.487 2.454 -18.822 1.00 0.00 N ATOM 0 H ARG A 100 -1.021 0.347 -16.095 1.00 0.00 H new ATOM 0 HA ARG A 100 -2.032 -1.566 -18.124 1.00 0.00 H new ATOM 0 HB2 ARG A 100 -3.308 0.485 -17.142 1.00 0.00 H new ATOM 0 HB3 ARG A 100 -2.238 1.472 -18.118 1.00 0.00 H new ATOM 0 HG2 ARG A 100 -2.947 -0.257 -20.054 1.00 0.00 H new ATOM 0 HG3 ARG A 100 -4.340 -0.509 -19.021 1.00 0.00 H new ATOM 0 HD2 ARG A 100 -3.778 2.349 -19.202 1.00 0.00 H new ATOM 0 HD3 ARG A 100 -3.881 1.676 -20.816 1.00 0.00 H new ATOM 0 HE ARG A 100 -6.127 0.549 -19.755 1.00 0.00 H new ATOM 0 HH11 ARG A 100 -4.951 3.748 -20.249 1.00 0.00 H new ATOM 0 HH12 ARG A 100 -6.391 4.539 -19.598 1.00 0.00 H new ATOM 0 HH21 ARG A 100 -7.857 1.547 -18.538 1.00 0.00 H new ATOM 0 HH22 ARG A 100 -8.022 3.303 -18.638 1.00 0.00 H new