USER MOD reduce.3.24.130724 H: found=0, std=0, add=410, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 411 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 36 HIS : no HD1:sc= -0.288 X(o=-0.29,f=-0.54) USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ -141:sc= -0.101 (180deg=-0.993) USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 HIS : no HD1:sc= -0.917 X(o=-0.92,f=-0.64) USER MOD Single : A 59 CYS SG : rot -170:sc= -3.73! USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 THR OG1 : rot -160:sc= -1.9 USER MOD Single : A 95 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 537 N GLY A 33 4.991 -9.914 -16.140 1.00 0.00 N ATOM 538 CA GLY A 33 4.948 -9.895 -17.629 1.00 0.00 C ATOM 539 C GLY A 33 3.820 -10.805 -18.117 1.00 0.00 C ATOM 540 O GLY A 33 4.052 -11.795 -18.781 1.00 0.00 O ATOM 0 HA2 GLY A 33 4.789 -8.877 -17.986 1.00 0.00 H new ATOM 0 HA3 GLY A 33 5.902 -10.230 -18.036 1.00 0.00 H new ATOM 544 N SER A 34 2.598 -10.479 -17.791 1.00 0.00 N ATOM 545 CA SER A 34 1.457 -11.329 -18.236 1.00 0.00 C ATOM 546 C SER A 34 0.211 -10.459 -18.423 1.00 0.00 C ATOM 547 O SER A 34 -0.068 -9.578 -17.635 1.00 0.00 O ATOM 548 CB SER A 34 1.175 -12.396 -17.178 1.00 0.00 C ATOM 549 OG SER A 34 -0.037 -13.067 -17.499 1.00 0.00 O ATOM 0 H SER A 34 2.341 -9.662 -17.237 1.00 0.00 H new ATOM 0 HA SER A 34 1.711 -11.809 -19.181 1.00 0.00 H new ATOM 0 HB2 SER A 34 1.998 -13.109 -17.135 1.00 0.00 H new ATOM 0 HB3 SER A 34 1.100 -11.936 -16.192 1.00 0.00 H new ATOM 0 HG SER A 34 -0.220 -13.753 -16.824 1.00 0.00 H new ATOM 555 N VAL A 35 -0.541 -10.703 -19.462 1.00 0.00 N ATOM 556 CA VAL A 35 -1.770 -9.896 -19.699 1.00 0.00 C ATOM 557 C VAL A 35 -2.997 -10.702 -19.274 1.00 0.00 C ATOM 558 O VAL A 35 -2.973 -11.917 -19.243 1.00 0.00 O ATOM 559 CB VAL A 35 -1.876 -9.553 -21.186 1.00 0.00 C ATOM 560 CG1 VAL A 35 -0.591 -8.865 -21.647 1.00 0.00 C ATOM 561 CG2 VAL A 35 -2.082 -10.838 -21.990 1.00 0.00 C ATOM 0 H VAL A 35 -0.357 -11.427 -20.157 1.00 0.00 H new ATOM 0 HA VAL A 35 -1.719 -8.976 -19.117 1.00 0.00 H new ATOM 0 HB VAL A 35 -2.721 -8.883 -21.344 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -0.669 -8.622 -22.707 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -0.443 -7.950 -21.074 1.00 0.00 H new ATOM 0 HG13 VAL A 35 0.256 -9.533 -21.489 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -2.158 -10.596 -23.050 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -1.236 -11.507 -21.830 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -2.999 -11.328 -21.663 1.00 0.00 H new ATOM 571 N HIS A 36 -4.072 -10.039 -18.947 1.00 0.00 N ATOM 572 CA HIS A 36 -5.298 -10.772 -18.525 1.00 0.00 C ATOM 573 C HIS A 36 -6.497 -9.823 -18.558 1.00 0.00 C ATOM 574 O HIS A 36 -6.347 -8.617 -18.575 1.00 0.00 O ATOM 575 CB HIS A 36 -5.111 -11.306 -17.103 1.00 0.00 C ATOM 576 CG HIS A 36 -5.006 -12.805 -17.142 1.00 0.00 C ATOM 577 ND1 HIS A 36 -5.923 -13.592 -17.821 1.00 0.00 N ATOM 578 CD2 HIS A 36 -4.099 -13.676 -16.591 1.00 0.00 C ATOM 579 CE1 HIS A 36 -5.550 -14.875 -17.664 1.00 0.00 C ATOM 580 NE2 HIS A 36 -4.444 -14.983 -16.921 1.00 0.00 N ATOM 0 H HIS A 36 -4.154 -9.022 -18.954 1.00 0.00 H new ATOM 0 HA HIS A 36 -5.474 -11.605 -19.206 1.00 0.00 H new ATOM 0 HB2 HIS A 36 -4.212 -10.879 -16.658 1.00 0.00 H new ATOM 0 HB3 HIS A 36 -5.951 -11.005 -16.477 1.00 0.00 H new ATOM 0 HD2 HIS A 36 -3.247 -13.390 -15.992 1.00 0.00 H new ATOM 0 HE1 HIS A 36 -6.080 -15.716 -18.087 1.00 0.00 H new ATOM 0 HE2 HIS A 36 -3.958 -15.839 -16.654 1.00 0.00 H new ATOM 588 N GLU A 37 -7.688 -10.357 -18.566 1.00 0.00 N ATOM 589 CA GLU A 37 -8.893 -9.483 -18.596 1.00 0.00 C ATOM 590 C GLU A 37 -9.452 -9.342 -17.180 1.00 0.00 C ATOM 591 O GLU A 37 -9.520 -10.296 -16.431 1.00 0.00 O ATOM 592 CB GLU A 37 -9.955 -10.107 -19.505 1.00 0.00 C ATOM 593 CG GLU A 37 -11.211 -9.234 -19.495 1.00 0.00 C ATOM 594 CD GLU A 37 -11.392 -8.585 -20.867 1.00 0.00 C ATOM 595 OE1 GLU A 37 -10.544 -7.792 -21.243 1.00 0.00 O ATOM 596 OE2 GLU A 37 -12.375 -8.892 -21.521 1.00 0.00 O ATOM 0 H GLU A 37 -7.878 -11.359 -18.553 1.00 0.00 H new ATOM 0 HA GLU A 37 -8.621 -8.500 -18.980 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -9.571 -10.199 -20.521 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -10.196 -11.114 -19.163 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -12.084 -9.838 -19.248 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -11.127 -8.466 -18.726 1.00 0.00 H new ATOM 603 N GLY A 38 -9.849 -8.158 -16.804 1.00 0.00 N ATOM 604 CA GLY A 38 -10.397 -7.955 -15.436 1.00 0.00 C ATOM 605 C GLY A 38 -11.400 -6.803 -15.452 1.00 0.00 C ATOM 606 O GLY A 38 -11.599 -6.152 -16.460 1.00 0.00 O ATOM 0 H GLY A 38 -9.817 -7.322 -17.387 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -10.881 -8.867 -15.088 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -9.589 -7.737 -14.738 1.00 0.00 H new ATOM 610 N ILE A 39 -12.034 -6.544 -14.341 1.00 0.00 N ATOM 611 CA ILE A 39 -13.022 -5.432 -14.290 1.00 0.00 C ATOM 612 C ILE A 39 -12.340 -4.193 -13.711 1.00 0.00 C ATOM 613 O ILE A 39 -11.368 -4.292 -12.988 1.00 0.00 O ATOM 614 CB ILE A 39 -14.201 -5.833 -13.398 1.00 0.00 C ATOM 615 CG1 ILE A 39 -14.435 -7.341 -13.513 1.00 0.00 C ATOM 616 CG2 ILE A 39 -15.458 -5.087 -13.848 1.00 0.00 C ATOM 617 CD1 ILE A 39 -15.579 -7.753 -12.584 1.00 0.00 C ATOM 0 H ILE A 39 -11.910 -7.055 -13.467 1.00 0.00 H new ATOM 0 HA ILE A 39 -13.390 -5.218 -15.293 1.00 0.00 H new ATOM 0 HB ILE A 39 -13.978 -5.576 -12.362 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -14.676 -7.605 -14.543 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -13.526 -7.882 -13.250 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -16.297 -5.372 -13.213 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -15.292 -4.013 -13.768 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -15.682 -5.344 -14.883 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -15.746 -8.827 -12.666 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -15.320 -7.504 -11.555 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -16.488 -7.222 -12.868 1.00 0.00 H new ATOM 629 N VAL A 40 -12.825 -3.026 -14.032 1.00 0.00 N ATOM 630 CA VAL A 40 -12.182 -1.789 -13.506 1.00 0.00 C ATOM 631 C VAL A 40 -13.036 -1.186 -12.390 1.00 0.00 C ATOM 632 O VAL A 40 -14.213 -1.461 -12.274 1.00 0.00 O ATOM 633 CB VAL A 40 -12.035 -0.779 -14.645 1.00 0.00 C ATOM 634 CG1 VAL A 40 -11.169 0.395 -14.183 1.00 0.00 C ATOM 635 CG2 VAL A 40 -11.370 -1.459 -15.845 1.00 0.00 C ATOM 0 H VAL A 40 -13.635 -2.875 -14.633 1.00 0.00 H new ATOM 0 HA VAL A 40 -11.200 -2.036 -13.102 1.00 0.00 H new ATOM 0 HB VAL A 40 -13.020 -0.411 -14.932 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -11.066 1.113 -14.996 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -11.640 0.880 -13.328 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -10.184 0.029 -13.895 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -11.264 -0.741 -16.658 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -10.386 -1.827 -15.555 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -11.986 -2.295 -16.177 1.00 0.00 H new ATOM 645 N TYR A 41 -12.447 -0.361 -11.567 1.00 0.00 N ATOM 646 CA TYR A 41 -13.218 0.270 -10.457 1.00 0.00 C ATOM 647 C TYR A 41 -12.672 1.678 -10.201 1.00 0.00 C ATOM 648 O TYR A 41 -11.646 2.059 -10.727 1.00 0.00 O ATOM 649 CB TYR A 41 -13.074 -0.573 -9.187 1.00 0.00 C ATOM 650 CG TYR A 41 -14.438 -0.826 -8.591 1.00 0.00 C ATOM 651 CD1 TYR A 41 -15.310 -1.738 -9.200 1.00 0.00 C ATOM 652 CD2 TYR A 41 -14.833 -0.146 -7.431 1.00 0.00 C ATOM 653 CE1 TYR A 41 -16.577 -1.972 -8.647 1.00 0.00 C ATOM 654 CE2 TYR A 41 -16.099 -0.380 -6.878 1.00 0.00 C ATOM 655 CZ TYR A 41 -16.971 -1.292 -7.486 1.00 0.00 C ATOM 656 OH TYR A 41 -18.219 -1.522 -6.942 1.00 0.00 O ATOM 0 H TYR A 41 -11.463 -0.096 -11.616 1.00 0.00 H new ATOM 0 HA TYR A 41 -14.271 0.329 -10.732 1.00 0.00 H new ATOM 0 HB2 TYR A 41 -12.586 -1.520 -9.420 1.00 0.00 H new ATOM 0 HB3 TYR A 41 -12.441 -0.057 -8.466 1.00 0.00 H new ATOM 0 HD1 TYR A 41 -15.006 -2.261 -10.095 1.00 0.00 H new ATOM 0 HD2 TYR A 41 -14.161 0.559 -6.963 1.00 0.00 H new ATOM 0 HE1 TYR A 41 -17.249 -2.676 -9.115 1.00 0.00 H new ATOM 0 HE2 TYR A 41 -16.402 0.143 -5.983 1.00 0.00 H new ATOM 0 HH TYR A 41 -18.332 -0.971 -6.139 1.00 0.00 H new ATOM 666 N PHE A 42 -13.347 2.453 -9.397 1.00 0.00 N ATOM 667 CA PHE A 42 -12.862 3.833 -9.113 1.00 0.00 C ATOM 668 C PHE A 42 -12.927 4.094 -7.607 1.00 0.00 C ATOM 669 O PHE A 42 -13.992 4.216 -7.033 1.00 0.00 O ATOM 670 CB PHE A 42 -13.741 4.849 -9.848 1.00 0.00 C ATOM 671 CG PHE A 42 -12.888 5.998 -10.333 1.00 0.00 C ATOM 672 CD1 PHE A 42 -11.720 6.344 -9.643 1.00 0.00 C ATOM 673 CD2 PHE A 42 -13.267 6.718 -11.475 1.00 0.00 C ATOM 674 CE1 PHE A 42 -10.928 7.410 -10.093 1.00 0.00 C ATOM 675 CE2 PHE A 42 -12.476 7.784 -11.925 1.00 0.00 C ATOM 676 CZ PHE A 42 -11.307 8.129 -11.235 1.00 0.00 C ATOM 0 H PHE A 42 -14.212 2.191 -8.925 1.00 0.00 H new ATOM 0 HA PHE A 42 -11.832 3.934 -9.456 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -14.239 4.371 -10.691 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -14.522 5.218 -9.183 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -11.429 5.789 -8.763 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -14.168 6.451 -12.008 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -10.027 7.677 -9.560 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -12.768 8.339 -12.804 1.00 0.00 H new ATOM 0 HZ PHE A 42 -10.697 8.950 -11.583 1.00 0.00 H new ATOM 727 N ILE A 46 -7.245 6.313 -7.025 1.00 0.00 N ATOM 728 CA ILE A 46 -6.631 5.715 -8.245 1.00 0.00 C ATOM 729 C ILE A 46 -7.642 4.780 -8.911 1.00 0.00 C ATOM 730 O ILE A 46 -8.837 4.973 -8.804 1.00 0.00 O ATOM 731 CB ILE A 46 -5.378 4.930 -7.850 1.00 0.00 C ATOM 732 CG1 ILE A 46 -5.770 3.780 -6.919 1.00 0.00 C ATOM 733 CG2 ILE A 46 -4.400 5.859 -7.129 1.00 0.00 C ATOM 734 CD1 ILE A 46 -4.806 2.609 -7.117 1.00 0.00 C ATOM 0 HA ILE A 46 -6.354 6.504 -8.944 1.00 0.00 H new ATOM 0 HB ILE A 46 -4.904 4.528 -8.745 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -5.745 4.114 -5.882 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -6.792 3.462 -7.127 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -3.508 5.300 -6.848 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -4.121 6.678 -7.791 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -4.873 6.261 -6.233 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -5.086 1.791 -6.454 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -4.853 2.270 -8.152 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -3.790 2.931 -6.887 1.00 0.00 H new ATOM 746 N PHE A 47 -7.184 3.767 -9.596 1.00 0.00 N ATOM 747 CA PHE A 47 -8.137 2.833 -10.255 1.00 0.00 C ATOM 748 C PHE A 47 -8.051 1.468 -9.573 1.00 0.00 C ATOM 749 O PHE A 47 -7.086 1.161 -8.902 1.00 0.00 O ATOM 750 CB PHE A 47 -7.779 2.700 -11.737 1.00 0.00 C ATOM 751 CG PHE A 47 -8.192 3.955 -12.468 1.00 0.00 C ATOM 752 CD1 PHE A 47 -9.545 4.320 -12.528 1.00 0.00 C ATOM 753 CD2 PHE A 47 -7.224 4.757 -13.087 1.00 0.00 C ATOM 754 CE1 PHE A 47 -9.928 5.485 -13.207 1.00 0.00 C ATOM 755 CE2 PHE A 47 -7.606 5.922 -13.765 1.00 0.00 C ATOM 756 CZ PHE A 47 -8.958 6.286 -13.825 1.00 0.00 C ATOM 0 H PHE A 47 -6.196 3.548 -9.727 1.00 0.00 H new ATOM 0 HA PHE A 47 -9.153 3.218 -10.168 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -6.707 2.536 -11.850 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -8.281 1.834 -12.167 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -10.292 3.703 -12.051 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -6.182 4.477 -13.041 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -10.970 5.765 -13.254 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -6.859 6.539 -14.241 1.00 0.00 H new ATOM 0 HZ PHE A 47 -9.253 7.184 -14.348 1.00 0.00 H new ATOM 766 N LYS A 48 -9.054 0.647 -9.727 1.00 0.00 N ATOM 767 CA LYS A 48 -9.020 -0.692 -9.075 1.00 0.00 C ATOM 768 C LYS A 48 -9.285 -1.780 -10.115 1.00 0.00 C ATOM 769 O LYS A 48 -9.964 -1.561 -11.100 1.00 0.00 O ATOM 770 CB LYS A 48 -10.092 -0.757 -7.985 1.00 0.00 C ATOM 771 CG LYS A 48 -9.424 -0.938 -6.620 1.00 0.00 C ATOM 772 CD LYS A 48 -10.192 -0.142 -5.563 1.00 0.00 C ATOM 773 CE LYS A 48 -9.611 -0.438 -4.179 1.00 0.00 C ATOM 774 NZ LYS A 48 -9.706 -1.900 -3.903 1.00 0.00 N ATOM 0 H LYS A 48 -9.892 0.845 -10.274 1.00 0.00 H new ATOM 0 HA LYS A 48 -8.037 -0.850 -8.630 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -10.688 0.156 -7.992 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -10.774 -1.584 -8.180 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -9.404 -1.994 -6.351 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -8.389 -0.600 -6.663 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -10.125 0.925 -5.776 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -11.249 -0.407 -5.590 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -8.571 -0.115 -4.133 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -10.153 0.123 -3.418 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -9.961 -2.049 -2.906 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -10.434 -2.322 -4.514 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -8.789 -2.350 -4.097 1.00 0.00 H new ATOM 788 N VAL A 49 -8.757 -2.952 -9.901 1.00 0.00 N ATOM 789 CA VAL A 49 -8.976 -4.062 -10.871 1.00 0.00 C ATOM 790 C VAL A 49 -9.455 -5.301 -10.113 1.00 0.00 C ATOM 791 O VAL A 49 -8.738 -5.859 -9.307 1.00 0.00 O ATOM 792 CB VAL A 49 -7.664 -4.381 -11.589 1.00 0.00 C ATOM 793 CG1 VAL A 49 -7.890 -5.522 -12.583 1.00 0.00 C ATOM 794 CG2 VAL A 49 -7.177 -3.142 -12.342 1.00 0.00 C ATOM 0 H VAL A 49 -8.181 -3.191 -9.094 1.00 0.00 H new ATOM 0 HA VAL A 49 -9.726 -3.765 -11.605 1.00 0.00 H new ATOM 0 HB VAL A 49 -6.915 -4.679 -10.856 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -6.955 -5.749 -13.095 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -8.236 -6.407 -12.049 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -8.641 -5.224 -13.315 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -6.242 -3.371 -12.853 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -7.927 -2.843 -13.074 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -7.015 -2.328 -11.636 1.00 0.00 H new ATOM 804 N ARG A 50 -10.659 -5.736 -10.360 1.00 0.00 N ATOM 805 CA ARG A 50 -11.176 -6.938 -9.647 1.00 0.00 C ATOM 806 C ARG A 50 -11.067 -8.161 -10.559 1.00 0.00 C ATOM 807 O ARG A 50 -11.528 -8.149 -11.683 1.00 0.00 O ATOM 808 CB ARG A 50 -12.643 -6.713 -9.269 1.00 0.00 C ATOM 809 CG ARG A 50 -12.783 -6.706 -7.745 1.00 0.00 C ATOM 810 CD ARG A 50 -14.156 -6.150 -7.362 1.00 0.00 C ATOM 811 NE ARG A 50 -15.185 -7.215 -7.521 1.00 0.00 N ATOM 812 CZ ARG A 50 -16.202 -7.267 -6.707 1.00 0.00 C ATOM 813 NH1 ARG A 50 -16.005 -7.293 -5.417 1.00 0.00 N ATOM 814 NH2 ARG A 50 -17.418 -7.291 -7.181 1.00 0.00 N ATOM 0 H ARG A 50 -11.307 -5.312 -11.024 1.00 0.00 H new ATOM 0 HA ARG A 50 -10.588 -7.106 -8.745 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -12.995 -5.767 -9.681 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -13.265 -7.499 -9.698 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -12.666 -7.717 -7.354 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -11.995 -6.098 -7.299 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -14.142 -5.794 -6.332 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -14.402 -5.295 -7.991 1.00 0.00 H new ATOM 0 HE ARG A 50 -15.094 -7.904 -8.267 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -15.055 -7.273 -5.046 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -16.801 -7.334 -4.780 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -17.573 -7.269 -8.189 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -18.213 -7.332 -6.543 1.00 0.00 H new ATOM 828 N LEU A 51 -10.461 -9.217 -10.088 1.00 0.00 N ATOM 829 CA LEU A 51 -10.328 -10.435 -10.937 1.00 0.00 C ATOM 830 C LEU A 51 -11.470 -11.403 -10.623 1.00 0.00 C ATOM 831 O LEU A 51 -11.285 -12.396 -9.947 1.00 0.00 O ATOM 832 CB LEU A 51 -8.988 -11.115 -10.652 1.00 0.00 C ATOM 833 CG LEU A 51 -8.027 -10.853 -11.813 1.00 0.00 C ATOM 834 CD1 LEU A 51 -7.905 -9.346 -12.046 1.00 0.00 C ATOM 835 CD2 LEU A 51 -6.651 -11.429 -11.474 1.00 0.00 C ATOM 0 H LEU A 51 -10.054 -9.289 -9.156 1.00 0.00 H new ATOM 0 HA LEU A 51 -10.372 -10.150 -11.988 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -8.565 -10.734 -9.722 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -9.133 -12.187 -10.520 1.00 0.00 H new ATOM 0 HG LEU A 51 -8.410 -11.330 -12.716 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -7.220 -9.160 -12.873 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -8.885 -8.935 -12.287 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -7.523 -8.868 -11.144 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -5.965 -11.243 -12.300 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -6.269 -10.952 -10.571 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -6.737 -12.503 -11.308 1.00 0.00 H new ATOM 847 N LEU A 52 -12.647 -11.123 -11.109 1.00 0.00 N ATOM 848 CA LEU A 52 -13.798 -12.028 -10.838 1.00 0.00 C ATOM 849 C LEU A 52 -13.472 -13.434 -11.345 1.00 0.00 C ATOM 850 O LEU A 52 -12.571 -13.626 -12.136 1.00 0.00 O ATOM 851 CB LEU A 52 -15.042 -11.501 -11.558 1.00 0.00 C ATOM 852 CG LEU A 52 -16.277 -11.745 -10.689 1.00 0.00 C ATOM 853 CD1 LEU A 52 -16.701 -10.435 -10.023 1.00 0.00 C ATOM 854 CD2 LEU A 52 -17.419 -12.266 -11.564 1.00 0.00 C ATOM 0 H LEU A 52 -12.861 -10.307 -11.682 1.00 0.00 H new ATOM 0 HA LEU A 52 -13.987 -12.064 -9.765 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -14.933 -10.436 -11.762 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -15.157 -12.000 -12.520 1.00 0.00 H new ATOM 0 HG LEU A 52 -16.041 -12.482 -9.921 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -17.581 -10.610 -9.404 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -15.887 -10.063 -9.400 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -16.937 -9.697 -10.790 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -18.300 -12.441 -10.946 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -17.654 -11.529 -12.332 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -17.117 -13.200 -12.038 1.00 0.00 H new ATOM 866 N GLY A 53 -14.200 -14.419 -10.895 1.00 0.00 N ATOM 867 CA GLY A 53 -13.931 -15.813 -11.349 1.00 0.00 C ATOM 868 C GLY A 53 -12.877 -16.453 -10.443 1.00 0.00 C ATOM 869 O GLY A 53 -12.996 -17.596 -10.047 1.00 0.00 O ATOM 0 H GLY A 53 -14.969 -14.319 -10.233 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -14.850 -16.398 -11.324 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -13.583 -15.809 -12.382 1.00 0.00 H new ATOM 873 N TYR A 54 -11.845 -15.725 -10.114 1.00 0.00 N ATOM 874 CA TYR A 54 -10.783 -16.292 -9.235 1.00 0.00 C ATOM 875 C TYR A 54 -11.179 -16.115 -7.769 1.00 0.00 C ATOM 876 O TYR A 54 -10.820 -16.905 -6.919 1.00 0.00 O ATOM 877 CB TYR A 54 -9.463 -15.564 -9.495 1.00 0.00 C ATOM 878 CG TYR A 54 -8.892 -16.010 -10.819 1.00 0.00 C ATOM 879 CD1 TYR A 54 -8.163 -17.202 -10.901 1.00 0.00 C ATOM 880 CD2 TYR A 54 -9.093 -15.230 -11.966 1.00 0.00 C ATOM 881 CE1 TYR A 54 -7.632 -17.616 -12.131 1.00 0.00 C ATOM 882 CE2 TYR A 54 -8.563 -15.644 -13.195 1.00 0.00 C ATOM 883 CZ TYR A 54 -7.832 -16.837 -13.278 1.00 0.00 C ATOM 884 OH TYR A 54 -7.310 -17.243 -14.488 1.00 0.00 O ATOM 0 H TYR A 54 -11.691 -14.763 -10.416 1.00 0.00 H new ATOM 0 HA TYR A 54 -10.664 -17.353 -9.453 1.00 0.00 H new ATOM 0 HB2 TYR A 54 -9.626 -14.486 -9.502 1.00 0.00 H new ATOM 0 HB3 TYR A 54 -8.756 -15.774 -8.693 1.00 0.00 H new ATOM 0 HD1 TYR A 54 -8.009 -17.803 -10.017 1.00 0.00 H new ATOM 0 HD2 TYR A 54 -9.656 -14.311 -11.902 1.00 0.00 H new ATOM 0 HE1 TYR A 54 -7.069 -18.535 -12.194 1.00 0.00 H new ATOM 0 HE2 TYR A 54 -8.718 -15.043 -14.079 1.00 0.00 H new ATOM 0 HH TYR A 54 -7.542 -16.589 -15.180 1.00 0.00 H new ATOM 894 N GLU A 55 -11.911 -15.079 -7.463 1.00 0.00 N ATOM 895 CA GLU A 55 -12.322 -14.852 -6.049 1.00 0.00 C ATOM 896 C GLU A 55 -11.073 -14.673 -5.185 1.00 0.00 C ATOM 897 O GLU A 55 -10.043 -15.264 -5.439 1.00 0.00 O ATOM 898 CB GLU A 55 -13.123 -16.056 -5.549 1.00 0.00 C ATOM 899 CG GLU A 55 -14.601 -15.677 -5.442 1.00 0.00 C ATOM 900 CD GLU A 55 -15.344 -16.738 -4.627 1.00 0.00 C ATOM 901 OE1 GLU A 55 -14.730 -17.740 -4.298 1.00 0.00 O ATOM 902 OE2 GLU A 55 -16.513 -16.531 -4.347 1.00 0.00 O ATOM 0 H GLU A 55 -12.242 -14.381 -8.130 1.00 0.00 H new ATOM 0 HA GLU A 55 -12.941 -13.957 -5.987 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -13.001 -16.897 -6.232 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -12.748 -16.378 -4.577 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -14.703 -14.701 -4.967 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -15.039 -15.595 -6.437 1.00 0.00 H new ATOM 909 N GLY A 56 -11.152 -13.861 -4.168 1.00 0.00 N ATOM 910 CA GLY A 56 -9.962 -13.646 -3.297 1.00 0.00 C ATOM 911 C GLY A 56 -8.845 -13.002 -4.118 1.00 0.00 C ATOM 912 O GLY A 56 -7.708 -12.933 -3.695 1.00 0.00 O ATOM 0 H GLY A 56 -11.986 -13.338 -3.902 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -10.225 -13.007 -2.454 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -9.624 -14.596 -2.883 1.00 0.00 H new ATOM 916 N HIS A 57 -9.161 -12.527 -5.294 1.00 0.00 N ATOM 917 CA HIS A 57 -8.121 -11.885 -6.145 1.00 0.00 C ATOM 918 C HIS A 57 -8.481 -10.413 -6.358 1.00 0.00 C ATOM 919 O HIS A 57 -9.062 -10.041 -7.362 1.00 0.00 O ATOM 920 CB HIS A 57 -8.056 -12.597 -7.499 1.00 0.00 C ATOM 921 CG HIS A 57 -6.638 -13.010 -7.780 1.00 0.00 C ATOM 922 ND1 HIS A 57 -6.286 -13.713 -8.921 1.00 0.00 N ATOM 923 CD2 HIS A 57 -5.471 -12.828 -7.079 1.00 0.00 C ATOM 924 CE1 HIS A 57 -4.958 -13.925 -8.874 1.00 0.00 C ATOM 925 NE2 HIS A 57 -4.412 -13.406 -7.772 1.00 0.00 N ATOM 0 H HIS A 57 -10.096 -12.557 -5.701 1.00 0.00 H new ATOM 0 HA HIS A 57 -7.151 -11.957 -5.653 1.00 0.00 H new ATOM 0 HB2 HIS A 57 -8.707 -13.472 -7.494 1.00 0.00 H new ATOM 0 HB3 HIS A 57 -8.417 -11.936 -8.287 1.00 0.00 H new ATOM 0 HD2 HIS A 57 -5.388 -12.314 -6.133 1.00 0.00 H new ATOM 0 HE1 HIS A 57 -4.401 -14.451 -9.635 1.00 0.00 H new ATOM 0 HE2 HIS A 57 -3.430 -13.428 -7.497 1.00 0.00 H new ATOM 933 N GLU A 58 -8.142 -9.572 -5.420 1.00 0.00 N ATOM 934 CA GLU A 58 -8.465 -8.127 -5.562 1.00 0.00 C ATOM 935 C GLU A 58 -7.220 -7.368 -6.026 1.00 0.00 C ATOM 936 O GLU A 58 -6.296 -7.145 -5.268 1.00 0.00 O ATOM 937 CB GLU A 58 -8.926 -7.574 -4.211 1.00 0.00 C ATOM 938 CG GLU A 58 -10.235 -6.805 -4.395 1.00 0.00 C ATOM 939 CD GLU A 58 -10.977 -6.733 -3.060 1.00 0.00 C ATOM 940 OE1 GLU A 58 -10.792 -7.629 -2.253 1.00 0.00 O ATOM 941 OE2 GLU A 58 -11.718 -5.783 -2.867 1.00 0.00 O ATOM 0 H GLU A 58 -7.655 -9.825 -4.560 1.00 0.00 H new ATOM 0 HA GLU A 58 -9.260 -8.003 -6.297 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -9.067 -8.389 -3.501 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -8.162 -6.918 -3.795 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -10.030 -5.800 -4.764 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -10.857 -7.298 -5.142 1.00 0.00 H new ATOM 948 N CYS A 59 -7.188 -6.968 -7.267 1.00 0.00 N ATOM 949 CA CYS A 59 -6.005 -6.222 -7.780 1.00 0.00 C ATOM 950 C CYS A 59 -6.323 -4.727 -7.804 1.00 0.00 C ATOM 951 O CYS A 59 -7.440 -4.315 -7.568 1.00 0.00 O ATOM 952 CB CYS A 59 -5.677 -6.698 -9.196 1.00 0.00 C ATOM 953 SG CYS A 59 -5.854 -8.497 -9.284 1.00 0.00 S ATOM 0 H CYS A 59 -7.930 -7.126 -7.948 1.00 0.00 H new ATOM 0 HA CYS A 59 -5.148 -6.403 -7.131 1.00 0.00 H new ATOM 0 HB2 CYS A 59 -6.343 -6.221 -9.915 1.00 0.00 H new ATOM 0 HB3 CYS A 59 -4.660 -6.408 -9.462 1.00 0.00 H new ATOM 0 HG CYS A 59 -5.378 -8.925 -10.415 1.00 0.00 H new ATOM 959 N ILE A 60 -5.347 -3.913 -8.088 1.00 0.00 N ATOM 960 CA ILE A 60 -5.589 -2.444 -8.129 1.00 0.00 C ATOM 961 C ILE A 60 -4.845 -1.844 -9.322 1.00 0.00 C ATOM 962 O ILE A 60 -3.736 -2.230 -9.627 1.00 0.00 O ATOM 963 CB ILE A 60 -5.077 -1.807 -6.836 1.00 0.00 C ATOM 964 CG1 ILE A 60 -3.615 -2.206 -6.618 1.00 0.00 C ATOM 965 CG2 ILE A 60 -5.920 -2.297 -5.656 1.00 0.00 C ATOM 966 CD1 ILE A 60 -2.734 -0.955 -6.644 1.00 0.00 C ATOM 0 H ILE A 60 -4.390 -4.201 -8.294 1.00 0.00 H new ATOM 0 HA ILE A 60 -6.657 -2.251 -8.229 1.00 0.00 H new ATOM 0 HB ILE A 60 -5.153 -0.722 -6.910 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -3.506 -2.720 -5.663 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -3.298 -2.903 -7.394 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -5.555 -1.843 -4.735 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -6.962 -2.016 -5.811 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -5.845 -3.382 -5.581 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -1.693 -1.240 -6.489 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -2.834 -0.459 -7.610 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -3.046 -0.274 -5.852 1.00 0.00 H new ATOM 978 N LEU A 61 -5.441 -0.902 -9.998 1.00 0.00 N ATOM 979 CA LEU A 61 -4.754 -0.288 -11.168 1.00 0.00 C ATOM 980 C LEU A 61 -4.100 1.026 -10.739 1.00 0.00 C ATOM 981 O LEU A 61 -4.764 1.965 -10.333 1.00 0.00 O ATOM 982 CB LEU A 61 -5.771 -0.017 -12.277 1.00 0.00 C ATOM 983 CG LEU A 61 -5.043 0.516 -13.512 1.00 0.00 C ATOM 984 CD1 LEU A 61 -4.211 -0.605 -14.137 1.00 0.00 C ATOM 985 CD2 LEU A 61 -6.067 1.019 -14.531 1.00 0.00 C ATOM 0 H LEU A 61 -6.369 -0.532 -9.793 1.00 0.00 H new ATOM 0 HA LEU A 61 -3.990 -0.970 -11.541 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -6.309 -0.932 -12.525 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -6.512 0.706 -11.937 1.00 0.00 H new ATOM 0 HG LEU A 61 -4.387 1.336 -13.221 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -3.692 -0.226 -15.017 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -3.481 -0.964 -13.412 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -4.867 -1.426 -14.428 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -5.548 1.399 -15.411 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -6.723 0.199 -14.822 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -6.660 1.818 -14.087 1.00 0.00 H new ATOM 997 N LEU A 62 -2.798 1.095 -10.819 1.00 0.00 N ATOM 998 CA LEU A 62 -2.088 2.341 -10.410 1.00 0.00 C ATOM 999 C LEU A 62 -1.141 2.787 -11.528 1.00 0.00 C ATOM 1000 O LEU A 62 -0.908 3.964 -11.723 1.00 0.00 O ATOM 1001 CB LEU A 62 -1.283 2.068 -9.137 1.00 0.00 C ATOM 1002 CG LEU A 62 -0.461 3.306 -8.770 1.00 0.00 C ATOM 1003 CD1 LEU A 62 -1.398 4.438 -8.349 1.00 0.00 C ATOM 1004 CD2 LEU A 62 0.477 2.965 -7.610 1.00 0.00 C ATOM 0 H LEU A 62 -2.195 0.342 -11.150 1.00 0.00 H new ATOM 0 HA LEU A 62 -2.817 3.129 -10.222 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -1.955 1.810 -8.319 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -0.623 1.214 -9.289 1.00 0.00 H new ATOM 0 HG LEU A 62 0.123 3.623 -9.634 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -0.811 5.318 -8.088 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -2.069 4.680 -9.173 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -1.983 4.123 -7.485 1.00 0.00 H new ATOM 0 HD21 LEU A 62 1.064 3.845 -7.346 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -0.110 2.649 -6.748 1.00 0.00 H new ATOM 0 HD23 LEU A 62 1.146 2.158 -7.909 1.00 0.00 H new ATOM 1324 N VAL A 80 -15.324 3.801 -16.934 1.00 0.00 N ATOM 1325 CA VAL A 80 -14.771 3.001 -15.805 1.00 0.00 C ATOM 1326 C VAL A 80 -15.665 1.786 -15.561 1.00 0.00 C ATOM 1327 O VAL A 80 -16.790 1.730 -16.014 1.00 0.00 O ATOM 1328 CB VAL A 80 -14.722 3.857 -14.539 1.00 0.00 C ATOM 1329 CG1 VAL A 80 -14.010 3.084 -13.429 1.00 0.00 C ATOM 1330 CG2 VAL A 80 -13.960 5.153 -14.828 1.00 0.00 C ATOM 0 HA VAL A 80 -13.763 2.672 -16.056 1.00 0.00 H new ATOM 0 HB VAL A 80 -15.737 4.096 -14.222 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -13.975 3.694 -12.526 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -14.552 2.161 -13.223 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -12.995 2.845 -13.746 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -13.925 5.763 -13.926 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -12.945 4.915 -15.145 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -14.467 5.705 -15.620 1.00 0.00 H new ATOM 1340 N GLY A 81 -15.171 0.813 -14.848 1.00 0.00 N ATOM 1341 CA GLY A 81 -15.990 -0.400 -14.580 1.00 0.00 C ATOM 1342 C GLY A 81 -15.846 -1.381 -15.745 1.00 0.00 C ATOM 1343 O GLY A 81 -15.622 -2.560 -15.551 1.00 0.00 O ATOM 0 H GLY A 81 -14.236 0.806 -14.440 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -15.668 -0.872 -13.652 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -17.036 -0.124 -14.451 1.00 0.00 H new ATOM 1347 N ARG A 82 -15.975 -0.900 -16.956 1.00 0.00 N ATOM 1348 CA ARG A 82 -15.852 -1.796 -18.145 1.00 0.00 C ATOM 1349 C ARG A 82 -14.718 -2.800 -17.930 1.00 0.00 C ATOM 1350 O ARG A 82 -13.864 -2.619 -17.085 1.00 0.00 O ATOM 1351 CB ARG A 82 -15.553 -0.951 -19.385 1.00 0.00 C ATOM 1352 CG ARG A 82 -16.354 -1.485 -20.575 1.00 0.00 C ATOM 1353 CD ARG A 82 -15.516 -2.517 -21.332 1.00 0.00 C ATOM 1354 NE ARG A 82 -15.336 -2.072 -22.742 1.00 0.00 N ATOM 1355 CZ ARG A 82 -14.147 -2.070 -23.280 1.00 0.00 C ATOM 1356 NH1 ARG A 82 -13.257 -1.197 -22.896 1.00 0.00 N ATOM 1357 NH2 ARG A 82 -13.847 -2.945 -24.201 1.00 0.00 N ATOM 0 H ARG A 82 -16.161 0.079 -17.173 1.00 0.00 H new ATOM 0 HA ARG A 82 -16.787 -2.339 -18.283 1.00 0.00 H new ATOM 0 HB2 ARG A 82 -15.811 0.091 -19.198 1.00 0.00 H new ATOM 0 HB3 ARG A 82 -14.487 -0.980 -19.609 1.00 0.00 H new ATOM 0 HG2 ARG A 82 -17.282 -1.939 -20.228 1.00 0.00 H new ATOM 0 HG3 ARG A 82 -16.628 -0.666 -21.239 1.00 0.00 H new ATOM 0 HD2 ARG A 82 -14.545 -2.637 -20.851 1.00 0.00 H new ATOM 0 HD3 ARG A 82 -16.007 -3.490 -21.306 1.00 0.00 H new ATOM 0 HE ARG A 82 -16.143 -1.769 -23.288 1.00 0.00 H new ATOM 0 HH11 ARG A 82 -13.490 -0.515 -22.174 1.00 0.00 H new ATOM 0 HH12 ARG A 82 -12.328 -1.197 -23.317 1.00 0.00 H new ATOM 0 HH21 ARG A 82 -14.542 -3.630 -24.500 1.00 0.00 H new ATOM 0 HH22 ARG A 82 -12.918 -2.944 -24.622 1.00 0.00 H new ATOM 1371 N VAL A 83 -14.701 -3.857 -18.697 1.00 0.00 N ATOM 1372 CA VAL A 83 -13.620 -4.871 -18.545 1.00 0.00 C ATOM 1373 C VAL A 83 -12.553 -4.626 -19.611 1.00 0.00 C ATOM 1374 O VAL A 83 -12.850 -4.234 -20.722 1.00 0.00 O ATOM 1375 CB VAL A 83 -14.207 -6.275 -18.717 1.00 0.00 C ATOM 1376 CG1 VAL A 83 -15.265 -6.523 -17.641 1.00 0.00 C ATOM 1377 CG2 VAL A 83 -14.851 -6.392 -20.100 1.00 0.00 C ATOM 0 H VAL A 83 -15.389 -4.061 -19.422 1.00 0.00 H new ATOM 0 HA VAL A 83 -13.174 -4.789 -17.554 1.00 0.00 H new ATOM 0 HB VAL A 83 -13.412 -7.014 -18.621 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -15.682 -7.522 -17.764 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -14.808 -6.440 -16.655 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -16.060 -5.784 -17.736 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -15.269 -7.391 -20.223 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -15.645 -5.652 -20.195 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -14.098 -6.217 -20.868 1.00 0.00 H new ATOM 1387 N ILE A 84 -11.310 -4.846 -19.283 1.00 0.00 N ATOM 1388 CA ILE A 84 -10.227 -4.617 -20.280 1.00 0.00 C ATOM 1389 C ILE A 84 -9.074 -5.587 -20.018 1.00 0.00 C ATOM 1390 O ILE A 84 -9.067 -6.309 -19.043 1.00 0.00 O ATOM 1391 CB ILE A 84 -9.718 -3.176 -20.160 1.00 0.00 C ATOM 1392 CG1 ILE A 84 -8.841 -3.039 -18.909 1.00 0.00 C ATOM 1393 CG2 ILE A 84 -10.906 -2.216 -20.058 1.00 0.00 C ATOM 1394 CD1 ILE A 84 -9.627 -3.487 -17.675 1.00 0.00 C ATOM 0 H ILE A 84 -10.998 -5.174 -18.369 1.00 0.00 H new ATOM 0 HA ILE A 84 -10.619 -4.783 -21.283 1.00 0.00 H new ATOM 0 HB ILE A 84 -9.129 -2.930 -21.043 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -7.940 -3.643 -19.017 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -8.519 -2.004 -18.791 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -10.541 -1.193 -19.973 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -11.525 -2.307 -20.950 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -11.499 -2.464 -19.178 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -9.000 -3.388 -16.789 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -10.515 -2.864 -17.563 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -9.927 -4.528 -17.793 1.00 0.00 H new ATOM 1406 N LYS A 85 -8.094 -5.607 -20.880 1.00 0.00 N ATOM 1407 CA LYS A 85 -6.942 -6.527 -20.675 1.00 0.00 C ATOM 1408 C LYS A 85 -5.738 -5.727 -20.171 1.00 0.00 C ATOM 1409 O LYS A 85 -5.115 -4.991 -20.911 1.00 0.00 O ATOM 1410 CB LYS A 85 -6.590 -7.208 -21.999 1.00 0.00 C ATOM 1411 CG LYS A 85 -6.910 -8.702 -21.904 1.00 0.00 C ATOM 1412 CD LYS A 85 -6.702 -9.358 -23.270 1.00 0.00 C ATOM 1413 CE LYS A 85 -7.901 -10.250 -23.598 1.00 0.00 C ATOM 1414 NZ LYS A 85 -7.831 -11.495 -22.783 1.00 0.00 N ATOM 0 H LYS A 85 -8.042 -5.026 -21.717 1.00 0.00 H new ATOM 0 HA LYS A 85 -7.207 -7.286 -19.939 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -7.154 -6.755 -22.815 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -5.533 -7.065 -22.224 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -6.269 -9.175 -21.160 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -7.939 -8.844 -21.574 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -6.584 -8.593 -24.038 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -5.786 -9.949 -23.265 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -8.830 -9.719 -23.391 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -7.904 -10.497 -24.660 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -8.646 -12.102 -23.005 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -6.951 -12.004 -23.001 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -7.848 -11.250 -21.772 1.00 0.00 H new ATOM 1428 N THR A 86 -5.408 -5.863 -18.915 1.00 0.00 N ATOM 1429 CA THR A 86 -4.246 -5.110 -18.360 1.00 0.00 C ATOM 1430 C THR A 86 -3.123 -6.088 -18.008 1.00 0.00 C ATOM 1431 O THR A 86 -3.275 -7.288 -18.122 1.00 0.00 O ATOM 1432 CB THR A 86 -4.678 -4.353 -17.101 1.00 0.00 C ATOM 1433 OG1 THR A 86 -5.482 -5.200 -16.294 1.00 0.00 O ATOM 1434 CG2 THR A 86 -5.478 -3.112 -17.498 1.00 0.00 C ATOM 0 H THR A 86 -5.893 -6.464 -18.248 1.00 0.00 H new ATOM 0 HA THR A 86 -3.888 -4.399 -19.105 1.00 0.00 H new ATOM 0 HB THR A 86 -3.795 -4.048 -16.540 1.00 0.00 H new ATOM 0 HG1 THR A 86 -6.011 -4.656 -15.674 1.00 0.00 H new ATOM 0 HG21 THR A 86 -5.785 -2.574 -16.601 1.00 0.00 H new ATOM 0 HG22 THR A 86 -4.859 -2.462 -18.116 1.00 0.00 H new ATOM 0 HG23 THR A 86 -6.362 -3.413 -18.060 1.00 0.00 H new ATOM 1442 N ARG A 87 -1.995 -5.586 -17.587 1.00 0.00 N ATOM 1443 CA ARG A 87 -0.865 -6.491 -17.235 1.00 0.00 C ATOM 1444 C ARG A 87 -0.820 -6.699 -15.721 1.00 0.00 C ATOM 1445 O ARG A 87 -1.352 -5.915 -14.957 1.00 0.00 O ATOM 1446 CB ARG A 87 0.452 -5.871 -17.704 1.00 0.00 C ATOM 1447 CG ARG A 87 0.656 -6.174 -19.189 1.00 0.00 C ATOM 1448 CD ARG A 87 -0.612 -5.808 -19.962 1.00 0.00 C ATOM 1449 NE ARG A 87 -0.307 -5.744 -21.418 1.00 0.00 N ATOM 1450 CZ ARG A 87 -1.274 -5.592 -22.281 1.00 0.00 C ATOM 1451 NH1 ARG A 87 -2.309 -4.856 -21.978 1.00 0.00 N ATOM 1452 NH2 ARG A 87 -1.208 -6.177 -23.446 1.00 0.00 N ATOM 0 H ARG A 87 -1.807 -4.590 -17.472 1.00 0.00 H new ATOM 0 HA ARG A 87 -1.010 -7.453 -17.726 1.00 0.00 H new ATOM 0 HB2 ARG A 87 0.438 -4.793 -17.540 1.00 0.00 H new ATOM 0 HB3 ARG A 87 1.283 -6.271 -17.122 1.00 0.00 H new ATOM 0 HG2 ARG A 87 1.505 -5.609 -19.573 1.00 0.00 H new ATOM 0 HG3 ARG A 87 0.887 -7.230 -19.327 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -1.390 -6.548 -19.775 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -0.996 -4.848 -19.618 1.00 0.00 H new ATOM 0 HE ARG A 87 0.658 -5.819 -21.741 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -2.361 -4.400 -21.067 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -3.065 -4.737 -22.652 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -0.400 -6.753 -23.682 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -1.964 -6.058 -24.120 1.00 0.00 H new ATOM 1466 N VAL A 88 -0.181 -7.751 -15.283 1.00 0.00 N ATOM 1467 CA VAL A 88 -0.098 -8.021 -13.820 1.00 0.00 C ATOM 1468 C VAL A 88 1.232 -7.492 -13.286 1.00 0.00 C ATOM 1469 O VAL A 88 2.293 -7.928 -13.686 1.00 0.00 O ATOM 1470 CB VAL A 88 -0.184 -9.528 -13.577 1.00 0.00 C ATOM 1471 CG1 VAL A 88 -0.397 -9.796 -12.087 1.00 0.00 C ATOM 1472 CG2 VAL A 88 -1.358 -10.104 -14.370 1.00 0.00 C ATOM 0 H VAL A 88 0.287 -8.435 -15.877 1.00 0.00 H new ATOM 0 HA VAL A 88 -0.921 -7.524 -13.306 1.00 0.00 H new ATOM 0 HB VAL A 88 0.743 -10.001 -13.901 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -0.458 -10.871 -11.916 1.00 0.00 H new ATOM 0 HG12 VAL A 88 0.439 -9.385 -11.520 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -1.324 -9.323 -11.761 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -1.421 -11.179 -14.198 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -2.284 -9.630 -14.045 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -1.207 -9.915 -15.433 1.00 0.00 H new ATOM 1482 N VAL A 89 1.178 -6.544 -12.393 1.00 0.00 N ATOM 1483 CA VAL A 89 2.434 -5.969 -11.840 1.00 0.00 C ATOM 1484 C VAL A 89 3.031 -6.916 -10.797 1.00 0.00 C ATOM 1485 O VAL A 89 4.230 -7.102 -10.734 1.00 0.00 O ATOM 1486 CB VAL A 89 2.127 -4.621 -11.188 1.00 0.00 C ATOM 1487 CG1 VAL A 89 3.380 -4.097 -10.485 1.00 0.00 C ATOM 1488 CG2 VAL A 89 1.692 -3.625 -12.265 1.00 0.00 C ATOM 0 H VAL A 89 0.317 -6.142 -12.022 1.00 0.00 H new ATOM 0 HA VAL A 89 3.153 -5.833 -12.648 1.00 0.00 H new ATOM 0 HB VAL A 89 1.326 -4.743 -10.458 1.00 0.00 H new ATOM 0 HG11 VAL A 89 3.161 -3.136 -10.020 1.00 0.00 H new ATOM 0 HG12 VAL A 89 3.692 -4.808 -9.720 1.00 0.00 H new ATOM 0 HG13 VAL A 89 4.181 -3.974 -11.214 1.00 0.00 H new ATOM 0 HG21 VAL A 89 1.472 -2.662 -11.803 1.00 0.00 H new ATOM 0 HG22 VAL A 89 2.494 -3.503 -12.993 1.00 0.00 H new ATOM 0 HG23 VAL A 89 0.800 -3.999 -12.767 1.00 0.00 H new ATOM 1498 N ARG A 90 2.211 -7.512 -9.975 1.00 0.00 N ATOM 1499 CA ARG A 90 2.745 -8.438 -8.939 1.00 0.00 C ATOM 1500 C ARG A 90 1.602 -8.924 -8.048 1.00 0.00 C ATOM 1501 O ARG A 90 1.111 -8.203 -7.200 1.00 0.00 O ATOM 1502 CB ARG A 90 3.779 -7.704 -8.082 1.00 0.00 C ATOM 1503 CG ARG A 90 4.904 -8.666 -7.700 1.00 0.00 C ATOM 1504 CD ARG A 90 5.508 -8.241 -6.361 1.00 0.00 C ATOM 1505 NE ARG A 90 5.418 -9.370 -5.392 1.00 0.00 N ATOM 1506 CZ ARG A 90 5.580 -9.149 -4.117 1.00 0.00 C ATOM 1507 NH1 ARG A 90 4.975 -8.144 -3.547 1.00 0.00 N ATOM 1508 NH2 ARG A 90 6.348 -9.934 -3.411 1.00 0.00 N ATOM 0 H ARG A 90 1.197 -7.398 -9.977 1.00 0.00 H new ATOM 0 HA ARG A 90 3.215 -9.292 -9.426 1.00 0.00 H new ATOM 0 HB2 ARG A 90 4.184 -6.854 -8.631 1.00 0.00 H new ATOM 0 HB3 ARG A 90 3.306 -7.307 -7.184 1.00 0.00 H new ATOM 0 HG2 ARG A 90 4.519 -9.683 -7.630 1.00 0.00 H new ATOM 0 HG3 ARG A 90 5.673 -8.668 -8.473 1.00 0.00 H new ATOM 0 HD2 ARG A 90 6.549 -7.947 -6.497 1.00 0.00 H new ATOM 0 HD3 ARG A 90 4.979 -7.371 -5.972 1.00 0.00 H new ATOM 0 HE ARG A 90 5.230 -10.315 -5.726 1.00 0.00 H new ATOM 0 HH11 ARG A 90 4.375 -7.531 -4.098 1.00 0.00 H new ATOM 0 HH12 ARG A 90 5.102 -7.971 -2.550 1.00 0.00 H new ATOM 0 HH21 ARG A 90 6.821 -10.720 -3.857 1.00 0.00 H new ATOM 0 HH22 ARG A 90 6.475 -9.761 -2.414 1.00 0.00 H new ATOM 1522 N ALA A 91 1.175 -10.141 -8.232 1.00 0.00 N ATOM 1523 CA ALA A 91 0.066 -10.678 -7.393 1.00 0.00 C ATOM 1524 C ALA A 91 0.652 -11.490 -6.237 1.00 0.00 C ATOM 1525 O ALA A 91 1.558 -12.281 -6.419 1.00 0.00 O ATOM 1526 CB ALA A 91 -0.830 -11.577 -8.247 1.00 0.00 C ATOM 0 H ALA A 91 1.546 -10.789 -8.927 1.00 0.00 H new ATOM 0 HA ALA A 91 -0.524 -9.852 -6.995 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -1.641 -11.970 -7.634 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -1.246 -10.998 -9.072 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -0.242 -12.404 -8.645 1.00 0.00 H new ATOM 1532 N ASP A 92 0.148 -11.304 -5.048 1.00 0.00 N ATOM 1533 CA ASP A 92 0.685 -12.068 -3.886 1.00 0.00 C ATOM 1534 C ASP A 92 -0.467 -12.716 -3.116 1.00 0.00 C ATOM 1535 O ASP A 92 -0.351 -13.819 -2.620 1.00 0.00 O ATOM 1536 CB ASP A 92 1.447 -11.118 -2.958 1.00 0.00 C ATOM 1537 CG ASP A 92 2.718 -11.807 -2.457 1.00 0.00 C ATOM 1538 OD1 ASP A 92 2.594 -12.801 -1.760 1.00 0.00 O ATOM 1539 OD2 ASP A 92 3.794 -11.330 -2.779 1.00 0.00 O ATOM 0 H ASP A 92 -0.611 -10.658 -4.831 1.00 0.00 H new ATOM 0 HA ASP A 92 1.359 -12.845 -4.247 1.00 0.00 H new ATOM 0 HB2 ASP A 92 1.702 -10.201 -3.489 1.00 0.00 H new ATOM 0 HB3 ASP A 92 0.818 -10.834 -2.115 1.00 0.00 H new ATOM 1544 N GLY A 93 -1.578 -12.042 -3.012 1.00 0.00 N ATOM 1545 CA GLY A 93 -2.733 -12.623 -2.271 1.00 0.00 C ATOM 1546 C GLY A 93 -4.012 -11.869 -2.637 1.00 0.00 C ATOM 1547 O GLY A 93 -4.277 -11.599 -3.792 1.00 0.00 O ATOM 0 H GLY A 93 -1.737 -11.115 -3.407 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -2.840 -13.680 -2.515 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -2.557 -12.560 -1.197 1.00 0.00 H new ATOM 1551 N LEU A 94 -4.809 -11.528 -1.662 1.00 0.00 N ATOM 1552 CA LEU A 94 -6.073 -10.793 -1.953 1.00 0.00 C ATOM 1553 C LEU A 94 -5.743 -9.429 -2.563 1.00 0.00 C ATOM 1554 O LEU A 94 -6.585 -8.788 -3.161 1.00 0.00 O ATOM 1555 CB LEU A 94 -6.857 -10.593 -0.654 1.00 0.00 C ATOM 1556 CG LEU A 94 -8.228 -11.258 -0.778 1.00 0.00 C ATOM 1557 CD1 LEU A 94 -8.118 -12.733 -0.392 1.00 0.00 C ATOM 1558 CD2 LEU A 94 -9.218 -10.559 0.157 1.00 0.00 C ATOM 0 H LEU A 94 -4.640 -11.726 -0.676 1.00 0.00 H new ATOM 0 HA LEU A 94 -6.674 -11.370 -2.656 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -6.308 -11.021 0.184 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -6.974 -9.529 -0.448 1.00 0.00 H new ATOM 0 HG LEU A 94 -8.579 -11.178 -1.807 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -9.096 -13.206 -0.481 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -7.412 -13.231 -1.056 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -7.767 -12.815 0.637 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -10.196 -11.032 0.070 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -8.866 -10.640 1.185 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -9.298 -9.507 -0.118 1.00 0.00 H new ATOM 1570 N TYR A 95 -4.527 -8.980 -2.417 1.00 0.00 N ATOM 1571 CA TYR A 95 -4.148 -7.658 -2.990 1.00 0.00 C ATOM 1572 C TYR A 95 -3.111 -7.859 -4.095 1.00 0.00 C ATOM 1573 O TYR A 95 -2.126 -8.548 -3.920 1.00 0.00 O ATOM 1574 CB TYR A 95 -3.558 -6.774 -1.891 1.00 0.00 C ATOM 1575 CG TYR A 95 -4.617 -6.490 -0.854 1.00 0.00 C ATOM 1576 CD1 TYR A 95 -5.574 -5.492 -1.084 1.00 0.00 C ATOM 1577 CD2 TYR A 95 -4.644 -7.225 0.340 1.00 0.00 C ATOM 1578 CE1 TYR A 95 -6.558 -5.229 -0.120 1.00 0.00 C ATOM 1579 CE2 TYR A 95 -5.627 -6.963 1.302 1.00 0.00 C ATOM 1580 CZ TYR A 95 -6.584 -5.965 1.072 1.00 0.00 C ATOM 1581 OH TYR A 95 -7.553 -5.707 2.021 1.00 0.00 O ATOM 0 H TYR A 95 -3.780 -9.471 -1.926 1.00 0.00 H new ATOM 0 HA TYR A 95 -5.033 -7.177 -3.406 1.00 0.00 H new ATOM 0 HB2 TYR A 95 -2.705 -7.270 -1.429 1.00 0.00 H new ATOM 0 HB3 TYR A 95 -3.191 -5.840 -2.318 1.00 0.00 H new ATOM 0 HD1 TYR A 95 -5.554 -4.926 -2.003 1.00 0.00 H new ATOM 0 HD2 TYR A 95 -3.906 -7.993 0.518 1.00 0.00 H new ATOM 0 HE1 TYR A 95 -7.295 -4.460 -0.296 1.00 0.00 H new ATOM 0 HE2 TYR A 95 -5.648 -7.530 2.221 1.00 0.00 H new ATOM 0 HH TYR A 95 -7.429 -6.306 2.786 1.00 0.00 H new ATOM 1591 N VAL A 96 -3.326 -7.265 -5.236 1.00 0.00 N ATOM 1592 CA VAL A 96 -2.355 -7.423 -6.354 1.00 0.00 C ATOM 1593 C VAL A 96 -2.130 -6.071 -7.031 1.00 0.00 C ATOM 1594 O VAL A 96 -2.958 -5.186 -6.961 1.00 0.00 O ATOM 1595 CB VAL A 96 -2.920 -8.412 -7.376 1.00 0.00 C ATOM 1596 CG1 VAL A 96 -2.054 -8.398 -8.636 1.00 0.00 C ATOM 1597 CG2 VAL A 96 -2.928 -9.817 -6.774 1.00 0.00 C ATOM 0 H VAL A 96 -4.133 -6.676 -5.442 1.00 0.00 H new ATOM 0 HA VAL A 96 -1.408 -7.796 -5.964 1.00 0.00 H new ATOM 0 HB VAL A 96 -3.938 -8.123 -7.636 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -2.458 -9.103 -9.363 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -2.052 -7.396 -9.065 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -1.034 -8.685 -8.380 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -3.330 -10.522 -7.501 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -1.910 -10.107 -6.512 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -3.549 -9.826 -5.878 1.00 0.00 H new ATOM 1607 N ASP A 97 -1.019 -5.908 -7.699 1.00 0.00 N ATOM 1608 CA ASP A 97 -0.754 -4.616 -8.390 1.00 0.00 C ATOM 1609 C ASP A 97 -1.120 -4.767 -9.867 1.00 0.00 C ATOM 1610 O ASP A 97 -0.996 -5.831 -10.439 1.00 0.00 O ATOM 1611 CB ASP A 97 0.726 -4.251 -8.256 1.00 0.00 C ATOM 1612 CG ASP A 97 0.962 -3.566 -6.909 1.00 0.00 C ATOM 1613 OD1 ASP A 97 0.012 -3.445 -6.154 1.00 0.00 O ATOM 1614 OD2 ASP A 97 2.089 -3.171 -6.656 1.00 0.00 O ATOM 0 H ASP A 97 -0.287 -6.612 -7.795 1.00 0.00 H new ATOM 0 HA ASP A 97 -1.352 -3.824 -7.939 1.00 0.00 H new ATOM 0 HB2 ASP A 97 1.341 -5.148 -8.333 1.00 0.00 H new ATOM 0 HB3 ASP A 97 1.024 -3.590 -9.070 1.00 0.00 H new ATOM 1619 N LEU A 98 -1.588 -3.720 -10.488 1.00 0.00 N ATOM 1620 CA LEU A 98 -1.979 -3.827 -11.921 1.00 0.00 C ATOM 1621 C LEU A 98 -1.442 -2.631 -12.707 1.00 0.00 C ATOM 1622 O LEU A 98 -1.511 -1.497 -12.268 1.00 0.00 O ATOM 1623 CB LEU A 98 -3.508 -3.859 -12.021 1.00 0.00 C ATOM 1624 CG LEU A 98 -3.949 -5.069 -12.845 1.00 0.00 C ATOM 1625 CD1 LEU A 98 -3.591 -4.841 -14.312 1.00 0.00 C ATOM 1626 CD2 LEU A 98 -3.238 -6.324 -12.334 1.00 0.00 C ATOM 0 H LEU A 98 -1.716 -2.800 -10.068 1.00 0.00 H new ATOM 0 HA LEU A 98 -1.558 -4.741 -12.341 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -3.946 -3.908 -11.024 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -3.870 -2.941 -12.484 1.00 0.00 H new ATOM 0 HG LEU A 98 -5.027 -5.201 -12.749 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -3.905 -5.703 -14.901 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -4.099 -3.948 -14.676 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -2.513 -4.709 -14.407 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -3.553 -7.186 -12.922 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -2.160 -6.195 -12.428 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -3.494 -6.486 -11.287 1.00 0.00 H new ATOM 1638 N ARG A 99 -0.912 -2.882 -13.876 1.00 0.00 N ATOM 1639 CA ARG A 99 -0.370 -1.770 -14.706 1.00 0.00 C ATOM 1640 C ARG A 99 -0.807 -1.967 -16.161 1.00 0.00 C ATOM 1641 O ARG A 99 -0.566 -2.998 -16.758 1.00 0.00 O ATOM 1642 CB ARG A 99 1.158 -1.772 -14.629 1.00 0.00 C ATOM 1643 CG ARG A 99 1.700 -3.061 -15.247 1.00 0.00 C ATOM 1644 CD ARG A 99 2.229 -2.772 -16.653 1.00 0.00 C ATOM 1645 NE ARG A 99 3.386 -3.664 -16.941 1.00 0.00 N ATOM 1646 CZ ARG A 99 4.338 -3.806 -16.059 1.00 0.00 C ATOM 1647 NH1 ARG A 99 4.752 -2.775 -15.374 1.00 0.00 N ATOM 1648 NH2 ARG A 99 4.875 -4.979 -15.861 1.00 0.00 N ATOM 0 H ARG A 99 -0.832 -3.811 -14.290 1.00 0.00 H new ATOM 0 HA ARG A 99 -0.750 -0.818 -14.334 1.00 0.00 H new ATOM 0 HB2 ARG A 99 1.560 -0.907 -15.156 1.00 0.00 H new ATOM 0 HB3 ARG A 99 1.480 -1.691 -13.591 1.00 0.00 H new ATOM 0 HG2 ARG A 99 2.497 -3.468 -14.624 1.00 0.00 H new ATOM 0 HG3 ARG A 99 0.913 -3.814 -15.291 1.00 0.00 H new ATOM 0 HD2 ARG A 99 1.441 -2.931 -17.389 1.00 0.00 H new ATOM 0 HD3 ARG A 99 2.533 -1.728 -16.732 1.00 0.00 H new ATOM 0 HE ARG A 99 3.435 -4.165 -17.828 1.00 0.00 H new ATOM 0 HH11 ARG A 99 4.332 -1.858 -15.528 1.00 0.00 H new ATOM 0 HH12 ARG A 99 5.496 -2.886 -14.685 1.00 0.00 H new ATOM 0 HH21 ARG A 99 4.551 -5.785 -16.395 1.00 0.00 H new ATOM 0 HH22 ARG A 99 5.619 -5.090 -15.172 1.00 0.00 H new ATOM 1662 N ARG A 100 -1.448 -0.986 -16.733 1.00 0.00 N ATOM 1663 CA ARG A 100 -1.901 -1.115 -18.147 1.00 0.00 C ATOM 1664 C ARG A 100 -0.689 -1.035 -19.078 1.00 0.00 C ATOM 1665 O ARG A 100 0.097 -0.111 -19.011 1.00 0.00 O ATOM 1666 CB ARG A 100 -2.873 0.019 -18.477 1.00 0.00 C ATOM 1667 CG ARG A 100 -3.166 0.027 -19.979 1.00 0.00 C ATOM 1668 CD ARG A 100 -4.632 -0.343 -20.218 1.00 0.00 C ATOM 1669 NE ARG A 100 -5.376 0.855 -20.698 1.00 0.00 N ATOM 1670 CZ ARG A 100 -5.692 0.965 -21.959 1.00 0.00 C ATOM 1671 NH1 ARG A 100 -6.605 0.188 -22.473 1.00 0.00 N ATOM 1672 NH2 ARG A 100 -5.097 1.854 -22.706 1.00 0.00 N ATOM 0 H ARG A 100 -1.678 -0.100 -16.283 1.00 0.00 H new ATOM 0 HA ARG A 100 -2.402 -2.073 -18.283 1.00 0.00 H new ATOM 0 HB2 ARG A 100 -3.799 -0.109 -17.917 1.00 0.00 H new ATOM 0 HB3 ARG A 100 -2.447 0.976 -18.175 1.00 0.00 H new ATOM 0 HG2 ARG A 100 -2.957 1.012 -20.395 1.00 0.00 H new ATOM 0 HG3 ARG A 100 -2.514 -0.681 -20.491 1.00 0.00 H new ATOM 0 HD2 ARG A 100 -4.700 -1.145 -20.953 1.00 0.00 H new ATOM 0 HD3 ARG A 100 -5.079 -0.716 -19.296 1.00 0.00 H new ATOM 0 HE ARG A 100 -5.638 1.589 -20.041 1.00 0.00 H new ATOM 0 HH11 ARG A 100 -7.072 -0.506 -21.889 1.00 0.00 H new ATOM 0 HH12 ARG A 100 -6.852 0.274 -23.459 1.00 0.00 H new ATOM 0 HH21 ARG A 100 -4.384 2.463 -22.304 1.00 0.00 H new ATOM 0 HH22 ARG A 100 -5.344 1.940 -23.692 1.00 0.00 H new