USER MOD reduce.3.24.130724 H: found=0, std=0, add=410, rem=0, adj=9 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= -0.53 USER MOD Single : A 36 HIS : no HE2:sc= -0.204 X(o=-0.2,f=-0.65) 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 HE2:sc= -5.2! C(o=-5.2!,f=-12!) USER MOD Single : A 59 CYS SG : rot 180:sc= -0.494 USER MOD Single : A 85 LYS NZ :NH3+ -145:sc= -0.0545 (180deg=-1.05) USER MOD Single : A 86 THR OG1 : rot 180:sc= 0 USER MOD Single : A 95 TYR OH : rot 180:sc= -0.008 USER MOD ----------------------------------------------------------------- ATOM 537 N GLY A 33 4.392 -8.937 -15.409 1.00 0.00 N ATOM 538 CA GLY A 33 4.416 -8.442 -16.813 1.00 0.00 C ATOM 539 C GLY A 33 3.594 -9.379 -17.698 1.00 0.00 C ATOM 540 O GLY A 33 4.123 -10.082 -18.534 1.00 0.00 O ATOM 0 HA2 GLY A 33 4.011 -7.431 -16.860 1.00 0.00 H new ATOM 0 HA3 GLY A 33 5.443 -8.391 -17.174 1.00 0.00 H new ATOM 544 N SER A 34 2.301 -9.396 -17.518 1.00 0.00 N ATOM 545 CA SER A 34 1.447 -10.290 -18.347 1.00 0.00 C ATOM 546 C SER A 34 0.194 -9.532 -18.791 1.00 0.00 C ATOM 547 O SER A 34 -0.064 -8.428 -18.354 1.00 0.00 O ATOM 548 CB SER A 34 1.041 -11.514 -17.525 1.00 0.00 C ATOM 549 OG SER A 34 -0.315 -11.841 -17.801 1.00 0.00 O ATOM 0 H SER A 34 1.801 -8.830 -16.833 1.00 0.00 H new ATOM 0 HA SER A 34 2.005 -10.613 -19.226 1.00 0.00 H new ATOM 0 HB2 SER A 34 1.686 -12.358 -17.767 1.00 0.00 H new ATOM 0 HB3 SER A 34 1.168 -11.310 -16.462 1.00 0.00 H new ATOM 0 HG SER A 34 -0.576 -12.626 -17.276 1.00 0.00 H new ATOM 555 N VAL A 35 -0.585 -10.118 -19.657 1.00 0.00 N ATOM 556 CA VAL A 35 -1.822 -9.435 -20.131 1.00 0.00 C ATOM 557 C VAL A 35 -3.038 -10.299 -19.787 1.00 0.00 C ATOM 558 O VAL A 35 -3.081 -11.474 -20.093 1.00 0.00 O ATOM 559 CB VAL A 35 -1.747 -9.240 -21.646 1.00 0.00 C ATOM 560 CG1 VAL A 35 -0.710 -8.162 -21.972 1.00 0.00 C ATOM 561 CG2 VAL A 35 -1.336 -10.556 -22.309 1.00 0.00 C ATOM 0 H VAL A 35 -0.419 -11.041 -20.058 1.00 0.00 H new ATOM 0 HA VAL A 35 -1.914 -8.464 -19.645 1.00 0.00 H new ATOM 0 HB VAL A 35 -2.723 -8.931 -22.021 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -0.657 -8.023 -23.052 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -1.000 -7.224 -21.499 1.00 0.00 H new ATOM 0 HG13 VAL A 35 0.266 -8.471 -21.597 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -1.282 -10.418 -23.389 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -0.360 -10.863 -21.933 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -2.073 -11.326 -22.078 1.00 0.00 H new ATOM 571 N HIS A 36 -4.025 -9.730 -19.151 1.00 0.00 N ATOM 572 CA HIS A 36 -5.232 -10.525 -18.789 1.00 0.00 C ATOM 573 C HIS A 36 -6.459 -9.612 -18.768 1.00 0.00 C ATOM 574 O HIS A 36 -6.346 -8.403 -18.784 1.00 0.00 O ATOM 575 CB HIS A 36 -5.036 -11.145 -17.403 1.00 0.00 C ATOM 576 CG HIS A 36 -5.420 -12.598 -17.442 1.00 0.00 C ATOM 577 ND1 HIS A 36 -4.918 -13.471 -18.396 1.00 0.00 N ATOM 578 CD2 HIS A 36 -6.253 -13.349 -16.649 1.00 0.00 C ATOM 579 CE1 HIS A 36 -5.448 -14.684 -18.156 1.00 0.00 C ATOM 580 NE2 HIS A 36 -6.270 -14.666 -17.102 1.00 0.00 N ATOM 0 H HIS A 36 -4.048 -8.751 -18.867 1.00 0.00 H new ATOM 0 HA HIS A 36 -5.380 -11.315 -19.525 1.00 0.00 H new ATOM 0 HB2 HIS A 36 -3.997 -11.041 -17.091 1.00 0.00 H new ATOM 0 HB3 HIS A 36 -5.644 -10.617 -16.668 1.00 0.00 H new ATOM 0 HD1 HIS A 36 -4.265 -13.236 -19.144 1.00 0.00 H new ATOM 0 HD2 HIS A 36 -6.810 -12.975 -15.803 1.00 0.00 H new ATOM 0 HE1 HIS A 36 -5.235 -15.565 -18.743 1.00 0.00 H new ATOM 588 N GLU A 37 -7.632 -10.184 -18.729 1.00 0.00 N ATOM 589 CA GLU A 37 -8.867 -9.350 -18.701 1.00 0.00 C ATOM 590 C GLU A 37 -9.391 -9.275 -17.266 1.00 0.00 C ATOM 591 O GLU A 37 -9.479 -10.270 -16.575 1.00 0.00 O ATOM 592 CB GLU A 37 -9.932 -9.980 -19.602 1.00 0.00 C ATOM 593 CG GLU A 37 -9.392 -10.098 -21.029 1.00 0.00 C ATOM 594 CD GLU A 37 -9.982 -8.983 -21.894 1.00 0.00 C ATOM 595 OE1 GLU A 37 -9.561 -7.850 -21.732 1.00 0.00 O ATOM 596 OE2 GLU A 37 -10.846 -9.281 -22.703 1.00 0.00 O ATOM 0 H GLU A 37 -7.788 -11.192 -18.715 1.00 0.00 H new ATOM 0 HA GLU A 37 -8.639 -8.347 -19.061 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -10.207 -10.965 -19.224 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -10.836 -9.372 -19.594 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -8.304 -10.031 -21.024 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -9.649 -11.071 -21.447 1.00 0.00 H new ATOM 603 N GLY A 38 -9.731 -8.103 -16.809 1.00 0.00 N ATOM 604 CA GLY A 38 -10.240 -7.964 -15.416 1.00 0.00 C ATOM 605 C GLY A 38 -11.290 -6.854 -15.363 1.00 0.00 C ATOM 606 O GLY A 38 -11.555 -6.191 -16.345 1.00 0.00 O ATOM 0 H GLY A 38 -9.678 -7.234 -17.340 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -10.674 -8.906 -15.081 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -9.418 -7.733 -14.739 1.00 0.00 H new ATOM 610 N ILE A 39 -11.888 -6.645 -14.223 1.00 0.00 N ATOM 611 CA ILE A 39 -12.917 -5.574 -14.110 1.00 0.00 C ATOM 612 C ILE A 39 -12.250 -4.314 -13.560 1.00 0.00 C ATOM 613 O ILE A 39 -11.184 -4.374 -12.980 1.00 0.00 O ATOM 614 CB ILE A 39 -14.025 -6.024 -13.154 1.00 0.00 C ATOM 615 CG1 ILE A 39 -14.880 -7.096 -13.832 1.00 0.00 C ATOM 616 CG2 ILE A 39 -14.907 -4.828 -12.792 1.00 0.00 C ATOM 617 CD1 ILE A 39 -14.132 -8.429 -13.821 1.00 0.00 C ATOM 0 H ILE A 39 -11.709 -7.169 -13.366 1.00 0.00 H new ATOM 0 HA ILE A 39 -13.352 -5.371 -15.089 1.00 0.00 H new ATOM 0 HB ILE A 39 -13.576 -6.433 -12.249 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -15.833 -7.198 -13.313 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -15.105 -6.802 -14.857 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -15.695 -5.150 -12.111 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -14.301 -4.062 -12.309 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -15.354 -4.419 -13.698 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -14.742 -9.192 -14.304 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -13.190 -8.322 -14.359 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -13.930 -8.724 -12.791 1.00 0.00 H new ATOM 629 N VAL A 40 -12.849 -3.172 -13.751 1.00 0.00 N ATOM 630 CA VAL A 40 -12.212 -1.923 -13.248 1.00 0.00 C ATOM 631 C VAL A 40 -13.027 -1.342 -12.093 1.00 0.00 C ATOM 632 O VAL A 40 -14.143 -1.745 -11.836 1.00 0.00 O ATOM 633 CB VAL A 40 -12.137 -0.900 -14.382 1.00 0.00 C ATOM 634 CG1 VAL A 40 -11.200 0.242 -13.983 1.00 0.00 C ATOM 635 CG2 VAL A 40 -11.601 -1.577 -15.646 1.00 0.00 C ATOM 0 H VAL A 40 -13.742 -3.049 -14.228 1.00 0.00 H new ATOM 0 HA VAL A 40 -11.208 -2.155 -12.892 1.00 0.00 H new ATOM 0 HB VAL A 40 -13.133 -0.502 -14.575 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -11.148 0.970 -14.793 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -11.579 0.726 -13.083 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -10.204 -0.156 -13.788 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -11.548 -0.848 -16.454 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -10.606 -1.976 -15.451 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -12.268 -2.390 -15.934 1.00 0.00 H new ATOM 645 N TYR A 41 -12.470 -0.391 -11.396 1.00 0.00 N ATOM 646 CA TYR A 41 -13.199 0.237 -10.260 1.00 0.00 C ATOM 647 C TYR A 41 -12.602 1.619 -9.991 1.00 0.00 C ATOM 648 O TYR A 41 -11.436 1.857 -10.234 1.00 0.00 O ATOM 649 CB TYR A 41 -13.063 -0.635 -9.010 1.00 0.00 C ATOM 650 CG TYR A 41 -14.287 -0.459 -8.145 1.00 0.00 C ATOM 651 CD1 TYR A 41 -15.566 -0.584 -8.707 1.00 0.00 C ATOM 652 CD2 TYR A 41 -14.146 -0.170 -6.782 1.00 0.00 C ATOM 653 CE1 TYR A 41 -16.703 -0.419 -7.903 1.00 0.00 C ATOM 654 CE2 TYR A 41 -15.283 -0.006 -5.979 1.00 0.00 C ATOM 655 CZ TYR A 41 -16.561 -0.131 -6.540 1.00 0.00 C ATOM 656 OH TYR A 41 -17.681 0.031 -5.749 1.00 0.00 O ATOM 0 H TYR A 41 -11.535 -0.020 -11.566 1.00 0.00 H new ATOM 0 HA TYR A 41 -14.255 0.333 -10.510 1.00 0.00 H new ATOM 0 HB2 TYR A 41 -12.951 -1.682 -9.293 1.00 0.00 H new ATOM 0 HB3 TYR A 41 -12.167 -0.357 -8.454 1.00 0.00 H new ATOM 0 HD1 TYR A 41 -15.675 -0.807 -9.758 1.00 0.00 H new ATOM 0 HD2 TYR A 41 -13.161 -0.073 -6.350 1.00 0.00 H new ATOM 0 HE1 TYR A 41 -17.688 -0.514 -8.335 1.00 0.00 H new ATOM 0 HE2 TYR A 41 -15.174 0.217 -4.928 1.00 0.00 H new ATOM 0 HH TYR A 41 -17.406 0.225 -4.829 1.00 0.00 H new ATOM 666 N PHE A 42 -13.391 2.535 -9.501 1.00 0.00 N ATOM 667 CA PHE A 42 -12.863 3.900 -9.230 1.00 0.00 C ATOM 668 C PHE A 42 -12.643 4.079 -7.726 1.00 0.00 C ATOM 669 O PHE A 42 -13.560 3.962 -6.938 1.00 0.00 O ATOM 670 CB PHE A 42 -13.868 4.940 -9.730 1.00 0.00 C ATOM 671 CG PHE A 42 -13.395 6.323 -9.358 1.00 0.00 C ATOM 672 CD1 PHE A 42 -12.278 6.878 -9.996 1.00 0.00 C ATOM 673 CD2 PHE A 42 -14.078 7.055 -8.379 1.00 0.00 C ATOM 674 CE1 PHE A 42 -11.842 8.165 -9.652 1.00 0.00 C ATOM 675 CE2 PHE A 42 -13.643 8.342 -8.034 1.00 0.00 C ATOM 676 CZ PHE A 42 -12.525 8.896 -8.671 1.00 0.00 C ATOM 0 H PHE A 42 -14.377 2.397 -9.277 1.00 0.00 H new ATOM 0 HA PHE A 42 -11.913 4.032 -9.749 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -13.979 4.862 -10.811 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -14.849 4.751 -9.294 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -11.753 6.314 -10.753 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -14.941 6.628 -7.889 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -10.980 8.593 -10.143 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -14.169 8.906 -7.278 1.00 0.00 H new ATOM 0 HZ PHE A 42 -12.189 9.888 -8.406 1.00 0.00 H new ATOM 727 N ILE A 46 -6.722 5.854 -6.072 1.00 0.00 N ATOM 728 CA ILE A 46 -6.120 5.357 -7.341 1.00 0.00 C ATOM 729 C ILE A 46 -7.165 4.521 -8.092 1.00 0.00 C ATOM 730 O ILE A 46 -8.352 4.727 -7.941 1.00 0.00 O ATOM 731 CB ILE A 46 -4.879 4.513 -7.011 1.00 0.00 C ATOM 732 CG1 ILE A 46 -3.920 4.528 -8.202 1.00 0.00 C ATOM 733 CG2 ILE A 46 -5.283 3.069 -6.696 1.00 0.00 C ATOM 734 CD1 ILE A 46 -2.695 5.378 -7.860 1.00 0.00 C ATOM 0 HA ILE A 46 -5.816 6.191 -7.974 1.00 0.00 H new ATOM 0 HB ILE A 46 -4.386 4.938 -6.137 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -3.613 3.511 -8.448 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -4.422 4.931 -9.082 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -4.393 2.484 -6.464 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -5.957 3.058 -5.839 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -5.787 2.636 -7.560 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -2.011 5.389 -8.709 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -3.010 6.397 -7.635 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -2.189 4.955 -6.992 1.00 0.00 H new ATOM 746 N PHE A 47 -6.747 3.578 -8.897 1.00 0.00 N ATOM 747 CA PHE A 47 -7.745 2.751 -9.632 1.00 0.00 C ATOM 748 C PHE A 47 -7.789 1.353 -9.016 1.00 0.00 C ATOM 749 O PHE A 47 -6.913 0.968 -8.268 1.00 0.00 O ATOM 750 CB PHE A 47 -7.353 2.658 -11.107 1.00 0.00 C ATOM 751 CG PHE A 47 -8.398 3.359 -11.941 1.00 0.00 C ATOM 752 CD1 PHE A 47 -9.594 2.704 -12.263 1.00 0.00 C ATOM 753 CD2 PHE A 47 -8.175 4.668 -12.390 1.00 0.00 C ATOM 754 CE1 PHE A 47 -10.566 3.356 -13.032 1.00 0.00 C ATOM 755 CE2 PHE A 47 -9.147 5.320 -13.161 1.00 0.00 C ATOM 756 CZ PHE A 47 -10.343 4.664 -13.481 1.00 0.00 C ATOM 0 H PHE A 47 -5.769 3.348 -9.075 1.00 0.00 H new ATOM 0 HA PHE A 47 -8.730 3.212 -9.557 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -6.376 3.115 -11.266 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -7.269 1.614 -11.409 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -9.766 1.695 -11.918 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -7.254 5.174 -12.142 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -11.488 2.850 -13.279 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -8.974 6.328 -13.508 1.00 0.00 H new ATOM 0 HZ PHE A 47 -11.093 5.167 -14.074 1.00 0.00 H new ATOM 766 N LYS A 48 -8.806 0.590 -9.312 1.00 0.00 N ATOM 767 CA LYS A 48 -8.895 -0.775 -8.724 1.00 0.00 C ATOM 768 C LYS A 48 -9.291 -1.789 -9.799 1.00 0.00 C ATOM 769 O LYS A 48 -10.025 -1.485 -10.721 1.00 0.00 O ATOM 770 CB LYS A 48 -9.942 -0.780 -7.609 1.00 0.00 C ATOM 771 CG LYS A 48 -9.302 -1.276 -6.311 1.00 0.00 C ATOM 772 CD LYS A 48 -10.171 -2.379 -5.704 1.00 0.00 C ATOM 773 CE LYS A 48 -9.687 -2.693 -4.287 1.00 0.00 C ATOM 774 NZ LYS A 48 -10.567 -2.007 -3.299 1.00 0.00 N ATOM 0 H LYS A 48 -9.573 0.851 -9.931 1.00 0.00 H new ATOM 0 HA LYS A 48 -7.922 -1.051 -8.318 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -10.344 0.223 -7.469 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -10.778 -1.423 -7.884 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -8.300 -1.655 -6.509 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -9.197 -0.451 -5.606 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -11.214 -2.063 -5.681 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -10.123 -3.275 -6.322 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -9.701 -3.770 -4.117 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -8.656 -2.364 -4.162 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -10.239 -2.220 -2.335 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -10.532 -0.980 -3.458 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -11.545 -2.342 -3.414 1.00 0.00 H new ATOM 788 N VAL A 49 -8.811 -2.998 -9.677 1.00 0.00 N ATOM 789 CA VAL A 49 -9.150 -4.054 -10.673 1.00 0.00 C ATOM 790 C VAL A 49 -9.603 -5.311 -9.927 1.00 0.00 C ATOM 791 O VAL A 49 -8.980 -5.736 -8.975 1.00 0.00 O ATOM 792 CB VAL A 49 -7.914 -4.382 -11.512 1.00 0.00 C ATOM 793 CG1 VAL A 49 -8.213 -5.579 -12.417 1.00 0.00 C ATOM 794 CG2 VAL A 49 -7.545 -3.174 -12.374 1.00 0.00 C ATOM 0 H VAL A 49 -8.194 -3.301 -8.924 1.00 0.00 H new ATOM 0 HA VAL A 49 -9.947 -3.701 -11.327 1.00 0.00 H new ATOM 0 HB VAL A 49 -7.082 -4.624 -10.850 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -7.332 -5.812 -13.015 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -8.475 -6.442 -11.805 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -9.046 -5.337 -13.077 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -6.664 -3.409 -12.971 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -8.377 -2.931 -13.035 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -7.330 -2.320 -11.731 1.00 0.00 H new ATOM 804 N ARG A 50 -10.683 -5.910 -10.347 1.00 0.00 N ATOM 805 CA ARG A 50 -11.166 -7.136 -9.652 1.00 0.00 C ATOM 806 C ARG A 50 -11.065 -8.335 -10.596 1.00 0.00 C ATOM 807 O ARG A 50 -11.618 -8.333 -11.678 1.00 0.00 O ATOM 808 CB ARG A 50 -12.625 -6.943 -9.230 1.00 0.00 C ATOM 809 CG ARG A 50 -12.956 -7.906 -8.087 1.00 0.00 C ATOM 810 CD ARG A 50 -14.461 -8.179 -8.068 1.00 0.00 C ATOM 811 NE ARG A 50 -15.123 -7.245 -7.115 1.00 0.00 N ATOM 812 CZ ARG A 50 -16.193 -6.593 -7.478 1.00 0.00 C ATOM 813 NH1 ARG A 50 -17.118 -7.195 -8.175 1.00 0.00 N ATOM 814 NH2 ARG A 50 -16.340 -5.341 -7.142 1.00 0.00 N ATOM 0 H ARG A 50 -11.250 -5.605 -11.138 1.00 0.00 H new ATOM 0 HA ARG A 50 -10.552 -7.316 -8.770 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -12.790 -5.914 -8.912 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -13.287 -7.125 -10.077 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -12.408 -8.840 -8.214 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -12.641 -7.479 -7.135 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -14.877 -8.051 -9.067 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -14.651 -9.211 -7.773 1.00 0.00 H new ATOM 0 HE ARG A 50 -14.740 -7.115 -6.179 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -17.004 -8.175 -8.435 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -17.955 -6.686 -8.459 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -15.618 -4.872 -6.595 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -17.177 -4.832 -7.426 1.00 0.00 H new ATOM 828 N LEU A 51 -10.366 -9.363 -10.196 1.00 0.00 N ATOM 829 CA LEU A 51 -10.237 -10.559 -11.072 1.00 0.00 C ATOM 830 C LEU A 51 -11.428 -11.488 -10.835 1.00 0.00 C ATOM 831 O LEU A 51 -11.288 -12.575 -10.310 1.00 0.00 O ATOM 832 CB LEU A 51 -8.939 -11.298 -10.741 1.00 0.00 C ATOM 833 CG LEU A 51 -8.089 -11.428 -12.005 1.00 0.00 C ATOM 834 CD1 LEU A 51 -6.666 -11.838 -11.623 1.00 0.00 C ATOM 835 CD2 LEU A 51 -8.699 -12.495 -12.918 1.00 0.00 C ATOM 0 H LEU A 51 -9.880 -9.425 -9.301 1.00 0.00 H new ATOM 0 HA LEU A 51 -10.218 -10.247 -12.116 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -8.386 -10.758 -9.972 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -9.163 -12.285 -10.338 1.00 0.00 H new ATOM 0 HG LEU A 51 -8.063 -10.472 -12.527 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -6.060 -11.931 -12.524 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -6.232 -11.081 -10.970 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -6.691 -12.795 -11.102 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -8.095 -12.590 -13.820 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -8.723 -13.451 -12.395 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -9.714 -12.205 -13.190 1.00 0.00 H new ATOM 847 N LEU A 52 -12.602 -11.065 -11.215 1.00 0.00 N ATOM 848 CA LEU A 52 -13.806 -11.919 -11.011 1.00 0.00 C ATOM 849 C LEU A 52 -13.517 -13.341 -11.493 1.00 0.00 C ATOM 850 O LEU A 52 -12.773 -13.551 -12.431 1.00 0.00 O ATOM 851 CB LEU A 52 -14.979 -11.341 -11.805 1.00 0.00 C ATOM 852 CG LEU A 52 -16.173 -11.131 -10.874 1.00 0.00 C ATOM 853 CD1 LEU A 52 -16.804 -9.766 -11.154 1.00 0.00 C ATOM 854 CD2 LEU A 52 -17.208 -12.230 -11.118 1.00 0.00 C ATOM 0 H LEU A 52 -12.780 -10.164 -11.658 1.00 0.00 H new ATOM 0 HA LEU A 52 -14.057 -11.942 -9.951 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -14.691 -10.395 -12.263 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -15.251 -12.017 -12.616 1.00 0.00 H new ATOM 0 HG LEU A 52 -15.837 -11.171 -9.838 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -17.656 -9.616 -10.490 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -16.067 -8.982 -10.981 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -17.140 -9.726 -12.190 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -18.060 -12.081 -10.455 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -17.544 -12.190 -12.154 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -16.759 -13.203 -10.919 1.00 0.00 H new ATOM 866 N GLY A 53 -14.100 -14.321 -10.860 1.00 0.00 N ATOM 867 CA GLY A 53 -13.861 -15.730 -11.284 1.00 0.00 C ATOM 868 C GLY A 53 -12.870 -16.395 -10.325 1.00 0.00 C ATOM 869 O GLY A 53 -13.068 -17.511 -9.891 1.00 0.00 O ATOM 0 H GLY A 53 -14.732 -14.208 -10.067 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -14.801 -16.282 -11.292 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -13.469 -15.753 -12.301 1.00 0.00 H new ATOM 873 N TYR A 54 -11.804 -15.718 -9.992 1.00 0.00 N ATOM 874 CA TYR A 54 -10.804 -16.316 -9.063 1.00 0.00 C ATOM 875 C TYR A 54 -11.325 -16.228 -7.629 1.00 0.00 C ATOM 876 O TYR A 54 -10.847 -16.907 -6.741 1.00 0.00 O ATOM 877 CB TYR A 54 -9.480 -15.557 -9.173 1.00 0.00 C ATOM 878 CG TYR A 54 -8.475 -16.404 -9.917 1.00 0.00 C ATOM 879 CD1 TYR A 54 -8.326 -17.761 -9.595 1.00 0.00 C ATOM 880 CD2 TYR A 54 -7.692 -15.835 -10.930 1.00 0.00 C ATOM 881 CE1 TYR A 54 -7.395 -18.547 -10.286 1.00 0.00 C ATOM 882 CE2 TYR A 54 -6.761 -16.621 -11.621 1.00 0.00 C ATOM 883 CZ TYR A 54 -6.612 -17.977 -11.299 1.00 0.00 C ATOM 884 OH TYR A 54 -5.696 -18.751 -11.981 1.00 0.00 O ATOM 0 H TYR A 54 -11.583 -14.779 -10.323 1.00 0.00 H new ATOM 0 HA TYR A 54 -10.644 -17.361 -9.329 1.00 0.00 H new ATOM 0 HB2 TYR A 54 -9.632 -14.612 -9.695 1.00 0.00 H new ATOM 0 HB3 TYR A 54 -9.103 -15.315 -8.179 1.00 0.00 H new ATOM 0 HD1 TYR A 54 -8.929 -18.200 -8.814 1.00 0.00 H new ATOM 0 HD2 TYR A 54 -7.806 -14.790 -11.178 1.00 0.00 H new ATOM 0 HE1 TYR A 54 -7.281 -19.592 -10.038 1.00 0.00 H new ATOM 0 HE2 TYR A 54 -6.158 -16.182 -12.402 1.00 0.00 H new ATOM 0 HH TYR A 54 -5.238 -18.202 -12.651 1.00 0.00 H new ATOM 894 N GLU A 55 -12.302 -15.398 -7.393 1.00 0.00 N ATOM 895 CA GLU A 55 -12.853 -15.269 -6.016 1.00 0.00 C ATOM 896 C GLU A 55 -11.704 -15.105 -5.019 1.00 0.00 C ATOM 897 O GLU A 55 -11.158 -16.071 -4.525 1.00 0.00 O ATOM 898 CB GLU A 55 -13.653 -16.527 -5.667 1.00 0.00 C ATOM 899 CG GLU A 55 -15.146 -16.196 -5.655 1.00 0.00 C ATOM 900 CD GLU A 55 -15.640 -16.113 -4.210 1.00 0.00 C ATOM 901 OE1 GLU A 55 -16.050 -17.136 -3.686 1.00 0.00 O ATOM 902 OE2 GLU A 55 -15.598 -15.030 -3.652 1.00 0.00 O ATOM 0 H GLU A 55 -12.743 -14.803 -8.095 1.00 0.00 H new ATOM 0 HA GLU A 55 -13.505 -14.397 -5.967 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -13.450 -17.313 -6.394 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -13.346 -16.907 -4.693 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -15.323 -15.250 -6.166 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -15.703 -16.960 -6.197 1.00 0.00 H new ATOM 909 N GLY A 56 -11.332 -13.892 -4.719 1.00 0.00 N ATOM 910 CA GLY A 56 -10.219 -13.675 -3.751 1.00 0.00 C ATOM 911 C GLY A 56 -9.091 -12.889 -4.424 1.00 0.00 C ATOM 912 O GLY A 56 -8.304 -12.237 -3.769 1.00 0.00 O ATOM 0 H GLY A 56 -11.749 -13.043 -5.101 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -10.584 -13.131 -2.880 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -9.843 -14.634 -3.394 1.00 0.00 H new ATOM 916 N HIS A 57 -9.002 -12.947 -5.726 1.00 0.00 N ATOM 917 CA HIS A 57 -7.917 -12.204 -6.428 1.00 0.00 C ATOM 918 C HIS A 57 -8.324 -10.739 -6.607 1.00 0.00 C ATOM 919 O HIS A 57 -8.936 -10.367 -7.590 1.00 0.00 O ATOM 920 CB HIS A 57 -7.666 -12.835 -7.799 1.00 0.00 C ATOM 921 CG HIS A 57 -6.188 -12.851 -8.079 1.00 0.00 C ATOM 922 ND1 HIS A 57 -5.646 -13.540 -9.154 1.00 0.00 N ATOM 923 CD2 HIS A 57 -5.123 -12.269 -7.434 1.00 0.00 C ATOM 924 CE1 HIS A 57 -4.313 -13.359 -9.122 1.00 0.00 C ATOM 925 NE2 HIS A 57 -3.941 -12.592 -8.094 1.00 0.00 N ATOM 0 H HIS A 57 -9.631 -13.475 -6.331 1.00 0.00 H new ATOM 0 HA HIS A 57 -7.005 -12.255 -5.832 1.00 0.00 H new ATOM 0 HB2 HIS A 57 -8.063 -13.850 -7.822 1.00 0.00 H new ATOM 0 HB3 HIS A 57 -8.188 -12.271 -8.572 1.00 0.00 H new ATOM 0 HD1 HIS A 57 -6.164 -14.085 -9.843 1.00 0.00 H new ATOM 0 HD2 HIS A 57 -5.193 -11.654 -6.549 1.00 0.00 H new ATOM 0 HE1 HIS A 57 -3.627 -13.783 -9.841 1.00 0.00 H new ATOM 933 N GLU A 58 -7.980 -9.905 -5.664 1.00 0.00 N ATOM 934 CA GLU A 58 -8.336 -8.463 -5.777 1.00 0.00 C ATOM 935 C GLU A 58 -7.123 -7.687 -6.292 1.00 0.00 C ATOM 936 O GLU A 58 -6.135 -7.523 -5.600 1.00 0.00 O ATOM 937 CB GLU A 58 -8.741 -7.928 -4.400 1.00 0.00 C ATOM 938 CG GLU A 58 -9.240 -6.487 -4.536 1.00 0.00 C ATOM 939 CD GLU A 58 -10.763 -6.459 -4.393 1.00 0.00 C ATOM 940 OE1 GLU A 58 -11.429 -7.037 -5.235 1.00 0.00 O ATOM 941 OE2 GLU A 58 -11.238 -5.859 -3.443 1.00 0.00 O ATOM 0 H GLU A 58 -7.468 -10.160 -4.820 1.00 0.00 H new ATOM 0 HA GLU A 58 -9.169 -8.342 -6.469 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -9.522 -8.555 -3.970 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -7.891 -7.966 -3.719 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -8.781 -5.858 -3.773 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -8.947 -6.079 -5.504 1.00 0.00 H new ATOM 948 N CYS A 59 -7.183 -7.213 -7.506 1.00 0.00 N ATOM 949 CA CYS A 59 -6.032 -6.455 -8.066 1.00 0.00 C ATOM 950 C CYS A 59 -6.300 -4.958 -7.940 1.00 0.00 C ATOM 951 O CYS A 59 -7.371 -4.539 -7.547 1.00 0.00 O ATOM 952 CB CYS A 59 -5.849 -6.817 -9.540 1.00 0.00 C ATOM 953 SG CYS A 59 -5.937 -8.615 -9.735 1.00 0.00 S ATOM 0 H CYS A 59 -7.980 -7.319 -8.134 1.00 0.00 H new ATOM 0 HA CYS A 59 -5.127 -6.711 -7.515 1.00 0.00 H new ATOM 0 HB2 CYS A 59 -6.621 -6.337 -10.142 1.00 0.00 H new ATOM 0 HB3 CYS A 59 -4.888 -6.448 -9.900 1.00 0.00 H new ATOM 0 HG CYS A 59 -5.784 -8.924 -10.989 1.00 0.00 H new ATOM 959 N ILE A 60 -5.335 -4.150 -8.269 1.00 0.00 N ATOM 960 CA ILE A 60 -5.527 -2.680 -8.168 1.00 0.00 C ATOM 961 C ILE A 60 -4.681 -1.984 -9.233 1.00 0.00 C ATOM 962 O ILE A 60 -3.612 -2.440 -9.593 1.00 0.00 O ATOM 963 CB ILE A 60 -5.091 -2.201 -6.782 1.00 0.00 C ATOM 964 CG1 ILE A 60 -3.568 -2.294 -6.669 1.00 0.00 C ATOM 965 CG2 ILE A 60 -5.735 -3.084 -5.711 1.00 0.00 C ATOM 966 CD1 ILE A 60 -2.952 -0.913 -6.898 1.00 0.00 C ATOM 0 H ILE A 60 -4.418 -4.445 -8.605 1.00 0.00 H new ATOM 0 HA ILE A 60 -6.579 -2.440 -8.321 1.00 0.00 H new ATOM 0 HB ILE A 60 -5.406 -1.167 -6.638 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -3.288 -2.669 -5.685 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -3.181 -3.002 -7.402 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -5.425 -2.743 -4.723 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -6.820 -3.021 -5.792 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -5.420 -4.118 -5.854 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -1.867 -0.981 -6.817 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -3.220 -0.555 -7.892 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -3.329 -0.218 -6.148 1.00 0.00 H new ATOM 978 N LEU A 61 -5.149 -0.878 -9.737 1.00 0.00 N ATOM 979 CA LEU A 61 -4.372 -0.153 -10.775 1.00 0.00 C ATOM 980 C LEU A 61 -3.590 0.980 -10.116 1.00 0.00 C ATOM 981 O LEU A 61 -4.131 2.022 -9.789 1.00 0.00 O ATOM 982 CB LEU A 61 -5.320 0.418 -11.828 1.00 0.00 C ATOM 983 CG LEU A 61 -4.811 0.036 -13.218 1.00 0.00 C ATOM 984 CD1 LEU A 61 -5.212 -1.408 -13.526 1.00 0.00 C ATOM 985 CD2 LEU A 61 -5.428 0.969 -14.261 1.00 0.00 C ATOM 0 H LEU A 61 -6.035 -0.446 -9.475 1.00 0.00 H new ATOM 0 HA LEU A 61 -3.680 -0.842 -11.259 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -6.328 0.031 -11.677 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -5.378 1.502 -11.734 1.00 0.00 H new ATOM 0 HG LEU A 61 -3.725 0.127 -13.246 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -4.850 -1.683 -14.517 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -4.774 -2.074 -12.782 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -6.298 -1.498 -13.499 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -5.065 0.697 -15.252 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -6.514 0.877 -14.234 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -5.145 1.998 -14.041 1.00 0.00 H new ATOM 997 N LEU A 62 -2.317 0.776 -9.921 1.00 0.00 N ATOM 998 CA LEU A 62 -1.474 1.824 -9.286 1.00 0.00 C ATOM 999 C LEU A 62 -0.317 2.167 -10.223 1.00 0.00 C ATOM 1000 O LEU A 62 0.197 3.268 -10.217 1.00 0.00 O ATOM 1001 CB LEU A 62 -0.923 1.302 -7.956 1.00 0.00 C ATOM 1002 CG LEU A 62 0.071 2.311 -7.379 1.00 0.00 C ATOM 1003 CD1 LEU A 62 -0.470 2.865 -6.060 1.00 0.00 C ATOM 1004 CD2 LEU A 62 1.412 1.617 -7.128 1.00 0.00 C ATOM 0 H LEU A 62 -1.822 -0.078 -10.177 1.00 0.00 H new ATOM 0 HA LEU A 62 -2.072 2.716 -9.099 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -1.739 1.138 -7.252 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -0.433 0.340 -8.107 1.00 0.00 H new ATOM 0 HG LEU A 62 0.210 3.129 -8.086 1.00 0.00 H new ATOM 0 HD11 LEU A 62 0.239 3.584 -5.649 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -1.426 3.358 -6.237 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -0.609 2.048 -5.352 1.00 0.00 H new ATOM 0 HD21 LEU A 62 2.122 2.335 -6.717 1.00 0.00 H new ATOM 0 HD22 LEU A 62 1.272 0.799 -6.421 1.00 0.00 H new ATOM 0 HD23 LEU A 62 1.799 1.222 -8.067 1.00 0.00 H new ATOM 1324 N VAL A 80 -16.767 3.539 -16.349 1.00 0.00 N ATOM 1325 CA VAL A 80 -15.774 2.814 -15.513 1.00 0.00 C ATOM 1326 C VAL A 80 -16.392 1.510 -15.019 1.00 0.00 C ATOM 1327 O VAL A 80 -17.587 1.301 -15.105 1.00 0.00 O ATOM 1328 CB VAL A 80 -15.368 3.689 -14.321 1.00 0.00 C ATOM 1329 CG1 VAL A 80 -16.597 4.425 -13.783 1.00 0.00 C ATOM 1330 CG2 VAL A 80 -14.769 2.823 -13.207 1.00 0.00 C ATOM 0 HA VAL A 80 -14.886 2.591 -16.105 1.00 0.00 H new ATOM 0 HB VAL A 80 -14.621 4.411 -14.653 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -16.307 5.046 -12.936 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -17.017 5.054 -14.568 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -17.344 3.699 -13.462 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -14.485 3.456 -12.367 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -15.508 2.092 -12.877 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -13.888 2.304 -13.584 1.00 0.00 H new ATOM 1340 N GLY A 81 -15.588 0.632 -14.503 1.00 0.00 N ATOM 1341 CA GLY A 81 -16.125 -0.663 -14.006 1.00 0.00 C ATOM 1342 C GLY A 81 -16.137 -1.680 -15.148 1.00 0.00 C ATOM 1343 O GLY A 81 -15.872 -2.850 -14.948 1.00 0.00 O ATOM 0 H GLY A 81 -14.580 0.752 -14.402 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -15.513 -1.031 -13.183 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -17.134 -0.525 -13.616 1.00 0.00 H new ATOM 1347 N ARG A 82 -16.444 -1.240 -16.342 1.00 0.00 N ATOM 1348 CA ARG A 82 -16.482 -2.175 -17.505 1.00 0.00 C ATOM 1349 C ARG A 82 -15.270 -3.110 -17.470 1.00 0.00 C ATOM 1350 O ARG A 82 -14.369 -2.951 -16.670 1.00 0.00 O ATOM 1351 CB ARG A 82 -16.464 -1.370 -18.807 1.00 0.00 C ATOM 1352 CG ARG A 82 -17.901 -1.112 -19.268 1.00 0.00 C ATOM 1353 CD ARG A 82 -18.393 -2.302 -20.096 1.00 0.00 C ATOM 1354 NE ARG A 82 -19.880 -2.379 -20.018 1.00 0.00 N ATOM 1355 CZ ARG A 82 -20.572 -2.731 -21.067 1.00 0.00 C ATOM 1356 NH1 ARG A 82 -20.796 -3.994 -21.307 1.00 0.00 N ATOM 1357 NH2 ARG A 82 -21.040 -1.821 -21.876 1.00 0.00 N ATOM 0 H ARG A 82 -16.671 -0.270 -16.561 1.00 0.00 H new ATOM 0 HA ARG A 82 -17.393 -2.771 -17.452 1.00 0.00 H new ATOM 0 HB2 ARG A 82 -15.944 -0.424 -18.655 1.00 0.00 H new ATOM 0 HB3 ARG A 82 -15.916 -1.915 -19.576 1.00 0.00 H new ATOM 0 HG2 ARG A 82 -18.550 -0.963 -18.405 1.00 0.00 H new ATOM 0 HG3 ARG A 82 -17.945 -0.199 -19.862 1.00 0.00 H new ATOM 0 HD2 ARG A 82 -18.078 -2.192 -21.134 1.00 0.00 H new ATOM 0 HD3 ARG A 82 -17.950 -3.226 -19.724 1.00 0.00 H new ATOM 0 HE ARG A 82 -20.357 -2.156 -19.144 1.00 0.00 H new ATOM 0 HH11 ARG A 82 -20.430 -4.706 -20.675 1.00 0.00 H new ATOM 0 HH12 ARG A 82 -21.337 -4.269 -22.127 1.00 0.00 H new ATOM 0 HH21 ARG A 82 -20.865 -0.834 -21.689 1.00 0.00 H new ATOM 0 HH22 ARG A 82 -21.581 -2.097 -22.696 1.00 0.00 H new ATOM 1371 N VAL A 83 -15.242 -4.085 -18.336 1.00 0.00 N ATOM 1372 CA VAL A 83 -14.096 -5.037 -18.354 1.00 0.00 C ATOM 1373 C VAL A 83 -13.091 -4.610 -19.425 1.00 0.00 C ATOM 1374 O VAL A 83 -13.453 -4.068 -20.451 1.00 0.00 O ATOM 1375 CB VAL A 83 -14.612 -6.442 -18.668 1.00 0.00 C ATOM 1376 CG1 VAL A 83 -15.004 -6.526 -20.145 1.00 0.00 C ATOM 1377 CG2 VAL A 83 -13.515 -7.468 -18.374 1.00 0.00 C ATOM 0 H VAL A 83 -15.965 -4.264 -19.033 1.00 0.00 H new ATOM 0 HA VAL A 83 -13.606 -5.036 -17.380 1.00 0.00 H new ATOM 0 HB VAL A 83 -15.483 -6.653 -18.048 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -15.372 -7.528 -20.367 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -15.787 -5.797 -20.356 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -14.133 -6.313 -20.765 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -13.884 -8.469 -18.598 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -12.643 -7.256 -18.992 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -13.236 -7.411 -17.322 1.00 0.00 H new ATOM 1387 N ILE A 84 -11.829 -4.845 -19.190 1.00 0.00 N ATOM 1388 CA ILE A 84 -10.796 -4.446 -20.188 1.00 0.00 C ATOM 1389 C ILE A 84 -9.548 -5.315 -20.011 1.00 0.00 C ATOM 1390 O ILE A 84 -9.465 -6.126 -19.110 1.00 0.00 O ATOM 1391 CB ILE A 84 -10.429 -2.973 -19.980 1.00 0.00 C ATOM 1392 CG1 ILE A 84 -9.543 -2.827 -18.737 1.00 0.00 C ATOM 1393 CG2 ILE A 84 -11.706 -2.151 -19.793 1.00 0.00 C ATOM 1394 CD1 ILE A 84 -10.195 -3.537 -17.549 1.00 0.00 C ATOM 0 H ILE A 84 -11.468 -5.296 -18.349 1.00 0.00 H new ATOM 0 HA ILE A 84 -11.191 -4.584 -21.194 1.00 0.00 H new ATOM 0 HB ILE A 84 -9.885 -2.613 -20.853 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -8.558 -3.251 -18.930 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -9.396 -1.772 -18.506 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -11.446 -1.103 -19.645 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -12.334 -2.247 -20.679 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -12.250 -2.516 -18.922 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -9.561 -3.430 -16.669 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -11.170 -3.093 -17.350 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -10.319 -4.595 -17.781 1.00 0.00 H new ATOM 1406 N LYS A 85 -8.574 -5.146 -20.864 1.00 0.00 N ATOM 1407 CA LYS A 85 -7.329 -5.954 -20.749 1.00 0.00 C ATOM 1408 C LYS A 85 -6.265 -5.127 -20.023 1.00 0.00 C ATOM 1409 O LYS A 85 -5.762 -4.151 -20.544 1.00 0.00 O ATOM 1410 CB LYS A 85 -6.826 -6.317 -22.148 1.00 0.00 C ATOM 1411 CG LYS A 85 -6.572 -7.824 -22.228 1.00 0.00 C ATOM 1412 CD LYS A 85 -5.639 -8.121 -23.405 1.00 0.00 C ATOM 1413 CE LYS A 85 -6.161 -9.333 -24.180 1.00 0.00 C ATOM 1414 NZ LYS A 85 -6.377 -10.469 -23.239 1.00 0.00 N ATOM 0 H LYS A 85 -8.588 -4.481 -21.637 1.00 0.00 H new ATOM 0 HA LYS A 85 -7.532 -6.868 -20.190 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -7.560 -6.022 -22.897 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -5.909 -5.771 -22.368 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -6.127 -8.179 -21.298 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -7.515 -8.357 -22.354 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -5.580 -7.254 -24.063 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -4.630 -8.316 -23.042 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -7.094 -9.082 -24.684 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -5.448 -9.618 -24.954 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -6.148 -11.364 -23.717 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -5.762 -10.353 -22.408 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -7.371 -10.483 -22.935 1.00 0.00 H new ATOM 1428 N THR A 86 -5.928 -5.500 -18.819 1.00 0.00 N ATOM 1429 CA THR A 86 -4.909 -4.725 -18.057 1.00 0.00 C ATOM 1430 C THR A 86 -3.624 -5.544 -17.917 1.00 0.00 C ATOM 1431 O THR A 86 -3.611 -6.739 -18.142 1.00 0.00 O ATOM 1432 CB THR A 86 -5.460 -4.414 -16.663 1.00 0.00 C ATOM 1433 OG1 THR A 86 -5.728 -5.631 -15.981 1.00 0.00 O ATOM 1434 CG2 THR A 86 -6.751 -3.603 -16.789 1.00 0.00 C ATOM 0 H THR A 86 -6.314 -6.308 -18.330 1.00 0.00 H new ATOM 0 HA THR A 86 -4.687 -3.800 -18.589 1.00 0.00 H new ATOM 0 HB THR A 86 -4.725 -3.835 -16.103 1.00 0.00 H new ATOM 0 HG1 THR A 86 -6.079 -5.435 -15.087 1.00 0.00 H new ATOM 0 HG21 THR A 86 -7.141 -3.383 -15.795 1.00 0.00 H new ATOM 0 HG22 THR A 86 -6.545 -2.670 -17.313 1.00 0.00 H new ATOM 0 HG23 THR A 86 -7.489 -4.178 -17.349 1.00 0.00 H new ATOM 1442 N ARG A 87 -2.542 -4.914 -17.537 1.00 0.00 N ATOM 1443 CA ARG A 87 -1.266 -5.665 -17.371 1.00 0.00 C ATOM 1444 C ARG A 87 -1.078 -5.988 -15.888 1.00 0.00 C ATOM 1445 O ARG A 87 -1.377 -5.181 -15.030 1.00 0.00 O ATOM 1446 CB ARG A 87 -0.097 -4.813 -17.874 1.00 0.00 C ATOM 1447 CG ARG A 87 0.222 -5.175 -19.331 1.00 0.00 C ATOM 1448 CD ARG A 87 -1.081 -5.345 -20.121 1.00 0.00 C ATOM 1449 NE ARG A 87 -0.818 -5.141 -21.572 1.00 0.00 N ATOM 1450 CZ ARG A 87 -1.818 -5.046 -22.407 1.00 0.00 C ATOM 1451 NH1 ARG A 87 -2.958 -5.617 -22.127 1.00 0.00 N ATOM 1452 NH2 ARG A 87 -1.678 -4.379 -23.521 1.00 0.00 N ATOM 0 H ARG A 87 -2.489 -3.915 -17.336 1.00 0.00 H new ATOM 0 HA ARG A 87 -1.298 -6.589 -17.948 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -0.348 -3.755 -17.799 1.00 0.00 H new ATOM 0 HB3 ARG A 87 0.780 -4.978 -17.248 1.00 0.00 H new ATOM 0 HG2 ARG A 87 0.833 -4.394 -19.784 1.00 0.00 H new ATOM 0 HG3 ARG A 87 0.803 -6.096 -19.368 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -1.493 -6.340 -19.953 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -1.825 -4.629 -19.772 1.00 0.00 H new ATOM 0 HE ARG A 87 0.141 -5.076 -21.913 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -3.068 -6.137 -21.256 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -3.739 -5.543 -22.779 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -0.788 -3.932 -23.739 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -2.459 -4.305 -24.173 1.00 0.00 H new ATOM 1466 N VAL A 88 -0.589 -7.161 -15.581 1.00 0.00 N ATOM 1467 CA VAL A 88 -0.401 -7.543 -14.151 1.00 0.00 C ATOM 1468 C VAL A 88 1.028 -7.221 -13.727 1.00 0.00 C ATOM 1469 O VAL A 88 1.965 -7.415 -14.477 1.00 0.00 O ATOM 1470 CB VAL A 88 -0.651 -9.044 -13.995 1.00 0.00 C ATOM 1471 CG1 VAL A 88 -0.481 -9.443 -12.527 1.00 0.00 C ATOM 1472 CG2 VAL A 88 -2.076 -9.374 -14.448 1.00 0.00 C ATOM 0 H VAL A 88 -0.312 -7.871 -16.259 1.00 0.00 H new ATOM 0 HA VAL A 88 -1.101 -6.988 -13.526 1.00 0.00 H new ATOM 0 HB VAL A 88 0.064 -9.594 -14.607 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -0.660 -10.513 -12.418 1.00 0.00 H new ATOM 0 HG12 VAL A 88 0.533 -9.209 -12.201 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -1.195 -8.892 -11.915 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -2.255 -10.444 -14.337 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -2.789 -8.822 -13.836 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -2.200 -9.092 -15.494 1.00 0.00 H new ATOM 1482 N VAL A 89 1.209 -6.702 -12.539 1.00 0.00 N ATOM 1483 CA VAL A 89 2.585 -6.346 -12.106 1.00 0.00 C ATOM 1484 C VAL A 89 2.975 -7.079 -10.817 1.00 0.00 C ATOM 1485 O VAL A 89 4.122 -7.055 -10.417 1.00 0.00 O ATOM 1486 CB VAL A 89 2.670 -4.837 -11.876 1.00 0.00 C ATOM 1487 CG1 VAL A 89 4.066 -4.479 -11.359 1.00 0.00 C ATOM 1488 CG2 VAL A 89 2.416 -4.105 -13.194 1.00 0.00 C ATOM 0 H VAL A 89 0.471 -6.513 -11.861 1.00 0.00 H new ATOM 0 HA VAL A 89 3.277 -6.649 -12.892 1.00 0.00 H new ATOM 0 HB VAL A 89 1.920 -4.539 -11.143 1.00 0.00 H new ATOM 0 HG11 VAL A 89 4.128 -3.403 -11.195 1.00 0.00 H new ATOM 0 HG12 VAL A 89 4.251 -5.001 -10.420 1.00 0.00 H new ATOM 0 HG13 VAL A 89 4.814 -4.778 -12.094 1.00 0.00 H new ATOM 0 HG21 VAL A 89 2.477 -3.029 -13.030 1.00 0.00 H new ATOM 0 HG22 VAL A 89 3.166 -4.403 -13.926 1.00 0.00 H new ATOM 0 HG23 VAL A 89 1.424 -4.360 -13.566 1.00 0.00 H new ATOM 1498 N ARG A 90 2.055 -7.728 -10.154 1.00 0.00 N ATOM 1499 CA ARG A 90 2.435 -8.436 -8.899 1.00 0.00 C ATOM 1500 C ARG A 90 1.194 -9.009 -8.212 1.00 0.00 C ATOM 1501 O ARG A 90 0.426 -8.298 -7.596 1.00 0.00 O ATOM 1502 CB ARG A 90 3.123 -7.452 -7.953 1.00 0.00 C ATOM 1503 CG ARG A 90 4.429 -8.064 -7.441 1.00 0.00 C ATOM 1504 CD ARG A 90 4.218 -8.605 -6.026 1.00 0.00 C ATOM 1505 NE ARG A 90 3.997 -10.077 -6.086 1.00 0.00 N ATOM 1506 CZ ARG A 90 4.938 -10.861 -6.540 1.00 0.00 C ATOM 1507 NH1 ARG A 90 6.182 -10.468 -6.517 1.00 0.00 N ATOM 1508 NH2 ARG A 90 4.632 -12.034 -7.021 1.00 0.00 N ATOM 0 H ARG A 90 1.073 -7.798 -10.422 1.00 0.00 H new ATOM 0 HA ARG A 90 3.112 -9.254 -9.147 1.00 0.00 H new ATOM 0 HB2 ARG A 90 3.327 -6.515 -8.471 1.00 0.00 H new ATOM 0 HB3 ARG A 90 2.466 -7.217 -7.115 1.00 0.00 H new ATOM 0 HG2 ARG A 90 4.752 -8.866 -8.104 1.00 0.00 H new ATOM 0 HG3 ARG A 90 5.219 -7.313 -7.441 1.00 0.00 H new ATOM 0 HD2 ARG A 90 5.086 -8.382 -5.406 1.00 0.00 H new ATOM 0 HD3 ARG A 90 3.361 -8.116 -5.562 1.00 0.00 H new ATOM 0 HE ARG A 90 3.111 -10.473 -5.773 1.00 0.00 H new ATOM 0 HH11 ARG A 90 6.420 -9.549 -6.145 1.00 0.00 H new ATOM 0 HH12 ARG A 90 6.917 -11.080 -6.871 1.00 0.00 H new ATOM 0 HH21 ARG A 90 3.659 -12.338 -7.042 1.00 0.00 H new ATOM 0 HH22 ARG A 90 5.366 -12.647 -7.376 1.00 0.00 H new ATOM 1522 N ALA A 91 1.008 -10.298 -8.301 1.00 0.00 N ATOM 1523 CA ALA A 91 -0.168 -10.935 -7.643 1.00 0.00 C ATOM 1524 C ALA A 91 0.323 -11.902 -6.563 1.00 0.00 C ATOM 1525 O ALA A 91 0.520 -13.075 -6.813 1.00 0.00 O ATOM 1526 CB ALA A 91 -0.983 -11.704 -8.685 1.00 0.00 C ATOM 0 H ALA A 91 1.622 -10.939 -8.803 1.00 0.00 H new ATOM 0 HA ALA A 91 -0.795 -10.167 -7.190 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -1.843 -12.170 -8.203 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -1.328 -11.016 -9.457 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -0.360 -12.475 -9.138 1.00 0.00 H new ATOM 1532 N ASP A 92 0.527 -11.420 -5.367 1.00 0.00 N ATOM 1533 CA ASP A 92 1.011 -12.313 -4.275 1.00 0.00 C ATOM 1534 C ASP A 92 0.014 -12.298 -3.114 1.00 0.00 C ATOM 1535 O ASP A 92 0.174 -11.567 -2.157 1.00 0.00 O ATOM 1536 CB ASP A 92 2.373 -11.820 -3.778 1.00 0.00 C ATOM 1537 CG ASP A 92 2.739 -12.548 -2.483 1.00 0.00 C ATOM 1538 OD1 ASP A 92 2.443 -13.727 -2.384 1.00 0.00 O ATOM 1539 OD2 ASP A 92 3.310 -11.913 -1.611 1.00 0.00 O ATOM 0 H ASP A 92 0.380 -10.447 -5.099 1.00 0.00 H new ATOM 0 HA ASP A 92 1.106 -13.329 -4.658 1.00 0.00 H new ATOM 0 HB2 ASP A 92 3.135 -11.999 -4.536 1.00 0.00 H new ATOM 0 HB3 ASP A 92 2.341 -10.744 -3.606 1.00 0.00 H new ATOM 1544 N GLY A 93 -1.013 -13.102 -3.187 1.00 0.00 N ATOM 1545 CA GLY A 93 -2.012 -13.133 -2.082 1.00 0.00 C ATOM 1546 C GLY A 93 -3.367 -12.643 -2.596 1.00 0.00 C ATOM 1547 O GLY A 93 -3.796 -12.991 -3.677 1.00 0.00 O ATOM 0 H GLY A 93 -1.202 -13.737 -3.963 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -2.105 -14.147 -1.692 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -1.676 -12.504 -1.258 1.00 0.00 H new ATOM 1551 N LEU A 94 -4.047 -11.837 -1.824 1.00 0.00 N ATOM 1552 CA LEU A 94 -5.375 -11.326 -2.265 1.00 0.00 C ATOM 1553 C LEU A 94 -5.234 -9.884 -2.760 1.00 0.00 C ATOM 1554 O LEU A 94 -6.206 -9.236 -3.097 1.00 0.00 O ATOM 1555 CB LEU A 94 -6.352 -11.370 -1.089 1.00 0.00 C ATOM 1556 CG LEU A 94 -7.035 -12.739 -1.045 1.00 0.00 C ATOM 1557 CD1 LEU A 94 -6.185 -13.710 -0.224 1.00 0.00 C ATOM 1558 CD2 LEU A 94 -8.414 -12.599 -0.396 1.00 0.00 C ATOM 0 H LEU A 94 -3.739 -11.511 -0.908 1.00 0.00 H new ATOM 0 HA LEU A 94 -5.752 -11.949 -3.076 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -5.822 -11.186 -0.155 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -7.098 -10.582 -1.193 1.00 0.00 H new ATOM 0 HG LEU A 94 -7.145 -13.121 -2.060 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -6.673 -14.684 -0.194 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -5.202 -13.811 -0.683 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -6.074 -13.328 0.791 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -8.902 -13.573 -0.364 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -8.302 -12.216 0.618 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -9.022 -11.908 -0.979 1.00 0.00 H new ATOM 1570 N TYR A 95 -4.033 -9.376 -2.808 1.00 0.00 N ATOM 1571 CA TYR A 95 -3.834 -7.977 -3.285 1.00 0.00 C ATOM 1572 C TYR A 95 -2.839 -7.978 -4.446 1.00 0.00 C ATOM 1573 O TYR A 95 -1.791 -8.588 -4.376 1.00 0.00 O ATOM 1574 CB TYR A 95 -3.285 -7.118 -2.144 1.00 0.00 C ATOM 1575 CG TYR A 95 -3.908 -5.745 -2.209 1.00 0.00 C ATOM 1576 CD1 TYR A 95 -5.286 -5.591 -2.012 1.00 0.00 C ATOM 1577 CD2 TYR A 95 -3.108 -4.624 -2.468 1.00 0.00 C ATOM 1578 CE1 TYR A 95 -5.866 -4.317 -2.075 1.00 0.00 C ATOM 1579 CE2 TYR A 95 -3.687 -3.350 -2.531 1.00 0.00 C ATOM 1580 CZ TYR A 95 -5.066 -3.196 -2.334 1.00 0.00 C ATOM 1581 OH TYR A 95 -5.637 -1.941 -2.396 1.00 0.00 O ATOM 0 H TYR A 95 -3.181 -9.868 -2.538 1.00 0.00 H new ATOM 0 HA TYR A 95 -4.787 -7.567 -3.618 1.00 0.00 H new ATOM 0 HB2 TYR A 95 -3.505 -7.585 -1.184 1.00 0.00 H new ATOM 0 HB3 TYR A 95 -2.200 -7.042 -2.220 1.00 0.00 H new ATOM 0 HD1 TYR A 95 -5.902 -6.455 -1.811 1.00 0.00 H new ATOM 0 HD2 TYR A 95 -2.045 -4.742 -2.619 1.00 0.00 H new ATOM 0 HE1 TYR A 95 -6.929 -4.199 -1.924 1.00 0.00 H new ATOM 0 HE2 TYR A 95 -3.071 -2.486 -2.731 1.00 0.00 H new ATOM 0 HH TYR A 95 -4.943 -1.275 -2.583 1.00 0.00 H new ATOM 1591 N VAL A 96 -3.160 -7.307 -5.520 1.00 0.00 N ATOM 1592 CA VAL A 96 -2.228 -7.285 -6.684 1.00 0.00 C ATOM 1593 C VAL A 96 -2.050 -5.852 -7.192 1.00 0.00 C ATOM 1594 O VAL A 96 -2.965 -5.055 -7.169 1.00 0.00 O ATOM 1595 CB VAL A 96 -2.806 -8.147 -7.808 1.00 0.00 C ATOM 1596 CG1 VAL A 96 -1.775 -8.286 -8.930 1.00 0.00 C ATOM 1597 CG2 VAL A 96 -3.154 -9.534 -7.261 1.00 0.00 C ATOM 0 H VAL A 96 -4.022 -6.776 -5.641 1.00 0.00 H new ATOM 0 HA VAL A 96 -1.260 -7.676 -6.372 1.00 0.00 H new ATOM 0 HB VAL A 96 -3.706 -7.674 -8.200 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -2.188 -8.900 -9.730 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -1.528 -7.299 -9.321 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -0.873 -8.758 -8.539 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -3.566 -10.148 -8.062 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -2.254 -10.006 -6.868 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -3.890 -9.436 -6.463 1.00 0.00 H new ATOM 1607 N ASP A 97 -0.878 -5.528 -7.667 1.00 0.00 N ATOM 1608 CA ASP A 97 -0.630 -4.158 -8.201 1.00 0.00 C ATOM 1609 C ASP A 97 -0.401 -4.269 -9.708 1.00 0.00 C ATOM 1610 O ASP A 97 0.209 -5.212 -10.175 1.00 0.00 O ATOM 1611 CB ASP A 97 0.615 -3.566 -7.535 1.00 0.00 C ATOM 1612 CG ASP A 97 0.278 -3.149 -6.102 1.00 0.00 C ATOM 1613 OD1 ASP A 97 -0.466 -3.868 -5.457 1.00 0.00 O ATOM 1614 OD2 ASP A 97 0.769 -2.116 -5.676 1.00 0.00 O ATOM 0 H ASP A 97 -0.077 -6.158 -7.708 1.00 0.00 H new ATOM 0 HA ASP A 97 -1.483 -3.511 -7.995 1.00 0.00 H new ATOM 0 HB2 ASP A 97 1.422 -4.299 -7.532 1.00 0.00 H new ATOM 0 HB3 ASP A 97 0.969 -2.705 -8.102 1.00 0.00 H new ATOM 1619 N LEU A 98 -0.899 -3.346 -10.489 1.00 0.00 N ATOM 1620 CA LEU A 98 -0.699 -3.474 -11.962 1.00 0.00 C ATOM 1621 C LEU A 98 -1.006 -2.178 -12.694 1.00 0.00 C ATOM 1622 O LEU A 98 -1.394 -1.179 -12.113 1.00 0.00 O ATOM 1623 CB LEU A 98 -1.603 -4.555 -12.541 1.00 0.00 C ATOM 1624 CG LEU A 98 -2.669 -4.969 -11.535 1.00 0.00 C ATOM 1625 CD1 LEU A 98 -3.938 -5.342 -12.297 1.00 0.00 C ATOM 1626 CD2 LEU A 98 -2.168 -6.175 -10.743 1.00 0.00 C ATOM 0 H LEU A 98 -1.424 -2.528 -10.180 1.00 0.00 H new ATOM 0 HA LEU A 98 0.350 -3.733 -12.104 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -2.079 -4.188 -13.451 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -1.006 -5.422 -12.821 1.00 0.00 H new ATOM 0 HG LEU A 98 -2.880 -4.151 -10.847 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -4.712 -5.641 -11.590 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -4.284 -4.482 -12.871 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -3.726 -6.169 -12.974 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -2.927 -6.477 -10.021 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -1.968 -7.001 -11.426 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -1.251 -5.909 -10.217 1.00 0.00 H new ATOM 1638 N ARG A 99 -0.830 -2.211 -13.991 1.00 0.00 N ATOM 1639 CA ARG A 99 -1.099 -1.014 -14.829 1.00 0.00 C ATOM 1640 C ARG A 99 -1.890 -1.439 -16.070 1.00 0.00 C ATOM 1641 O ARG A 99 -1.354 -2.019 -16.995 1.00 0.00 O ATOM 1642 CB ARG A 99 0.230 -0.388 -15.261 1.00 0.00 C ATOM 1643 CG ARG A 99 1.193 -1.489 -15.714 1.00 0.00 C ATOM 1644 CD ARG A 99 2.570 -0.882 -15.983 1.00 0.00 C ATOM 1645 NE ARG A 99 3.150 -1.488 -17.215 1.00 0.00 N ATOM 1646 CZ ARG A 99 3.803 -2.617 -17.142 1.00 0.00 C ATOM 1647 NH1 ARG A 99 3.181 -3.706 -16.779 1.00 0.00 N ATOM 1648 NH2 ARG A 99 5.075 -2.656 -17.431 1.00 0.00 N ATOM 0 H ARG A 99 -0.507 -3.030 -14.507 1.00 0.00 H new ATOM 0 HA ARG A 99 -1.675 -0.285 -14.258 1.00 0.00 H new ATOM 0 HB2 ARG A 99 0.063 0.320 -16.073 1.00 0.00 H new ATOM 0 HB3 ARG A 99 0.666 0.172 -14.434 1.00 0.00 H new ATOM 0 HG2 ARG A 99 1.267 -2.260 -14.947 1.00 0.00 H new ATOM 0 HG3 ARG A 99 0.814 -1.971 -16.615 1.00 0.00 H new ATOM 0 HD2 ARG A 99 2.486 0.198 -16.102 1.00 0.00 H new ATOM 0 HD3 ARG A 99 3.229 -1.059 -15.133 1.00 0.00 H new ATOM 0 HE ARG A 99 3.037 -1.021 -18.115 1.00 0.00 H new ATOM 0 HH11 ARG A 99 2.187 -3.674 -16.553 1.00 0.00 H new ATOM 0 HH12 ARG A 99 3.689 -4.589 -16.721 1.00 0.00 H new ATOM 0 HH21 ARG A 99 5.560 -1.805 -17.714 1.00 0.00 H new ATOM 0 HH22 ARG A 99 5.584 -3.538 -17.374 1.00 0.00 H new ATOM 1662 N ARG A 100 -3.165 -1.170 -16.097 1.00 0.00 N ATOM 1663 CA ARG A 100 -3.978 -1.567 -17.281 1.00 0.00 C ATOM 1664 C ARG A 100 -3.309 -1.048 -18.559 1.00 0.00 C ATOM 1665 O ARG A 100 -2.512 -0.132 -18.526 1.00 0.00 O ATOM 1666 CB ARG A 100 -5.389 -0.983 -17.159 1.00 0.00 C ATOM 1667 CG ARG A 100 -5.377 0.504 -17.529 1.00 0.00 C ATOM 1668 CD ARG A 100 -6.696 1.146 -17.100 1.00 0.00 C ATOM 1669 NE ARG A 100 -7.330 1.815 -18.270 1.00 0.00 N ATOM 1670 CZ ARG A 100 -8.423 2.510 -18.109 1.00 0.00 C ATOM 1671 NH1 ARG A 100 -8.379 3.658 -17.492 1.00 0.00 N ATOM 1672 NH2 ARG A 100 -9.558 2.056 -18.566 1.00 0.00 N ATOM 0 H ARG A 100 -3.678 -0.695 -15.355 1.00 0.00 H new ATOM 0 HA ARG A 100 -4.045 -2.654 -17.326 1.00 0.00 H new ATOM 0 HB2 ARG A 100 -6.073 -1.523 -17.814 1.00 0.00 H new ATOM 0 HB3 ARG A 100 -5.757 -1.109 -16.141 1.00 0.00 H new ATOM 0 HG2 ARG A 100 -4.541 1.005 -17.041 1.00 0.00 H new ATOM 0 HG3 ARG A 100 -5.235 0.621 -18.603 1.00 0.00 H new ATOM 0 HD2 ARG A 100 -7.366 0.388 -16.695 1.00 0.00 H new ATOM 0 HD3 ARG A 100 -6.518 1.871 -16.306 1.00 0.00 H new ATOM 0 HE ARG A 100 -6.911 1.730 -19.196 1.00 0.00 H new ATOM 0 HH11 ARG A 100 -7.491 4.012 -17.136 1.00 0.00 H new ATOM 0 HH12 ARG A 100 -9.232 4.202 -17.366 1.00 0.00 H new ATOM 0 HH21 ARG A 100 -9.591 1.158 -19.049 1.00 0.00 H new ATOM 0 HH22 ARG A 100 -10.412 2.599 -18.440 1.00 0.00 H new