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= -0.452 X(o=-0.45,f=-0.48) USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ -136:sc= 0 (180deg=-2.01!) USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 HIS : no HD1:sc= -0.471 K(o=-0.47,f=-1.3) USER MOD Single : A 59 CYS SG : rot 180:sc= -2.65 USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 THR OG1 : rot -160:sc= -3.28! USER MOD Single : A 95 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 537 N GLY A 33 4.865 -9.541 -15.869 1.00 0.00 N ATOM 538 CA GLY A 33 5.115 -9.493 -17.338 1.00 0.00 C ATOM 539 C GLY A 33 4.060 -10.330 -18.061 1.00 0.00 C ATOM 540 O GLY A 33 4.356 -11.052 -18.992 1.00 0.00 O ATOM 0 HA2 GLY A 33 5.081 -8.462 -17.690 1.00 0.00 H new ATOM 0 HA3 GLY A 33 6.112 -9.873 -17.561 1.00 0.00 H new ATOM 544 N SER A 34 2.828 -10.241 -17.640 1.00 0.00 N ATOM 545 CA SER A 34 1.753 -11.031 -18.302 1.00 0.00 C ATOM 546 C SER A 34 0.497 -10.168 -18.444 1.00 0.00 C ATOM 547 O SER A 34 0.398 -9.102 -17.871 1.00 0.00 O ATOM 548 CB SER A 34 1.432 -12.265 -17.457 1.00 0.00 C ATOM 549 OG SER A 34 1.631 -13.435 -18.238 1.00 0.00 O ATOM 0 H SER A 34 2.520 -9.654 -16.865 1.00 0.00 H new ATOM 0 HA SER A 34 2.090 -11.345 -19.290 1.00 0.00 H new ATOM 0 HB2 SER A 34 2.070 -12.291 -16.574 1.00 0.00 H new ATOM 0 HB3 SER A 34 0.402 -12.220 -17.105 1.00 0.00 H new ATOM 0 HG SER A 34 1.428 -14.227 -17.698 1.00 0.00 H new ATOM 555 N VAL A 35 -0.462 -10.622 -19.203 1.00 0.00 N ATOM 556 CA VAL A 35 -1.712 -9.828 -19.381 1.00 0.00 C ATOM 557 C VAL A 35 -2.894 -10.611 -18.807 1.00 0.00 C ATOM 558 O VAL A 35 -2.783 -11.780 -18.497 1.00 0.00 O ATOM 559 CB VAL A 35 -1.943 -9.570 -20.871 1.00 0.00 C ATOM 560 CG1 VAL A 35 -0.733 -8.838 -21.454 1.00 0.00 C ATOM 561 CG2 VAL A 35 -2.128 -10.903 -21.597 1.00 0.00 C ATOM 0 H VAL A 35 -0.435 -11.508 -19.708 1.00 0.00 H new ATOM 0 HA VAL A 35 -1.619 -8.875 -18.859 1.00 0.00 H new ATOM 0 HB VAL A 35 -2.836 -8.959 -21.000 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -0.896 -8.654 -22.516 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -0.599 -7.888 -20.937 1.00 0.00 H new ATOM 0 HG13 VAL A 35 0.159 -9.450 -21.325 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -2.293 -10.719 -22.659 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -1.235 -11.514 -21.469 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -2.989 -11.427 -21.182 1.00 0.00 H new ATOM 571 N HIS A 36 -4.026 -9.978 -18.658 1.00 0.00 N ATOM 572 CA HIS A 36 -5.206 -10.696 -18.098 1.00 0.00 C ATOM 573 C HIS A 36 -6.458 -9.825 -18.246 1.00 0.00 C ATOM 574 O HIS A 36 -6.376 -8.636 -18.478 1.00 0.00 O ATOM 575 CB HIS A 36 -4.962 -10.991 -16.617 1.00 0.00 C ATOM 576 CG HIS A 36 -5.916 -12.054 -16.147 1.00 0.00 C ATOM 577 ND1 HIS A 36 -5.956 -13.316 -16.718 1.00 0.00 N ATOM 578 CD2 HIS A 36 -6.868 -12.060 -15.159 1.00 0.00 C ATOM 579 CE1 HIS A 36 -6.902 -14.023 -16.073 1.00 0.00 C ATOM 580 NE2 HIS A 36 -7.490 -13.304 -15.113 1.00 0.00 N ATOM 0 H HIS A 36 -4.184 -8.999 -18.899 1.00 0.00 H new ATOM 0 HA HIS A 36 -5.352 -11.631 -18.639 1.00 0.00 H new ATOM 0 HB2 HIS A 36 -3.934 -11.320 -16.467 1.00 0.00 H new ATOM 0 HB3 HIS A 36 -5.096 -10.083 -16.029 1.00 0.00 H new ATOM 0 HD2 HIS A 36 -7.100 -11.225 -14.514 1.00 0.00 H new ATOM 0 HE1 HIS A 36 -7.155 -15.047 -16.304 1.00 0.00 H new ATOM 0 HE2 HIS A 36 -8.234 -13.602 -14.482 1.00 0.00 H new ATOM 588 N GLU A 37 -7.616 -10.412 -18.109 1.00 0.00 N ATOM 589 CA GLU A 37 -8.874 -9.624 -18.236 1.00 0.00 C ATOM 590 C GLU A 37 -9.494 -9.438 -16.849 1.00 0.00 C ATOM 591 O GLU A 37 -9.727 -10.392 -16.134 1.00 0.00 O ATOM 592 CB GLU A 37 -9.854 -10.376 -19.142 1.00 0.00 C ATOM 593 CG GLU A 37 -11.249 -9.763 -19.016 1.00 0.00 C ATOM 594 CD GLU A 37 -11.751 -9.349 -20.402 1.00 0.00 C ATOM 595 OE1 GLU A 37 -12.014 -10.232 -21.202 1.00 0.00 O ATOM 596 OE2 GLU A 37 -11.864 -8.158 -20.638 1.00 0.00 O ATOM 0 H GLU A 37 -7.745 -11.405 -17.914 1.00 0.00 H new ATOM 0 HA GLU A 37 -8.656 -8.648 -18.670 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -9.517 -10.327 -20.178 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -9.883 -11.430 -18.866 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -11.935 -10.482 -18.569 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -11.219 -8.897 -18.355 1.00 0.00 H new ATOM 603 N GLY A 38 -9.755 -8.221 -16.459 1.00 0.00 N ATOM 604 CA GLY A 38 -10.351 -7.987 -15.113 1.00 0.00 C ATOM 605 C GLY A 38 -11.377 -6.855 -15.188 1.00 0.00 C ATOM 606 O GLY A 38 -11.557 -6.232 -16.215 1.00 0.00 O ATOM 0 H GLY A 38 -9.582 -7.381 -17.011 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -10.828 -8.899 -14.753 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -9.568 -7.733 -14.398 1.00 0.00 H new ATOM 610 N ILE A 39 -12.051 -6.587 -14.103 1.00 0.00 N ATOM 611 CA ILE A 39 -13.065 -5.496 -14.104 1.00 0.00 C ATOM 612 C ILE A 39 -12.434 -4.230 -13.523 1.00 0.00 C ATOM 613 O ILE A 39 -11.485 -4.290 -12.766 1.00 0.00 O ATOM 614 CB ILE A 39 -14.261 -5.912 -13.246 1.00 0.00 C ATOM 615 CG1 ILE A 39 -14.674 -7.342 -13.602 1.00 0.00 C ATOM 616 CG2 ILE A 39 -15.434 -4.967 -13.509 1.00 0.00 C ATOM 617 CD1 ILE A 39 -15.066 -8.093 -12.329 1.00 0.00 C ATOM 0 H ILE A 39 -11.943 -7.077 -13.215 1.00 0.00 H new ATOM 0 HA ILE A 39 -13.402 -5.305 -15.123 1.00 0.00 H new ATOM 0 HB ILE A 39 -13.983 -5.864 -12.193 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -15.511 -7.327 -14.300 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -13.852 -7.855 -14.101 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -16.285 -5.265 -12.897 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -15.144 -3.947 -13.255 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -15.710 -5.014 -14.562 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -15.360 -9.111 -12.583 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -14.217 -8.120 -11.646 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -15.901 -7.583 -11.849 1.00 0.00 H new ATOM 629 N VAL A 40 -12.943 -3.082 -13.878 1.00 0.00 N ATOM 630 CA VAL A 40 -12.355 -1.817 -13.353 1.00 0.00 C ATOM 631 C VAL A 40 -13.181 -1.305 -12.172 1.00 0.00 C ATOM 632 O VAL A 40 -14.342 -1.627 -12.021 1.00 0.00 O ATOM 633 CB VAL A 40 -12.342 -0.763 -14.462 1.00 0.00 C ATOM 634 CG1 VAL A 40 -12.027 0.611 -13.866 1.00 0.00 C ATOM 635 CG2 VAL A 40 -11.273 -1.127 -15.495 1.00 0.00 C ATOM 0 H VAL A 40 -13.738 -2.965 -14.507 1.00 0.00 H new ATOM 0 HA VAL A 40 -11.336 -2.010 -13.018 1.00 0.00 H new ATOM 0 HB VAL A 40 -13.320 -0.731 -14.942 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -12.019 1.358 -14.659 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -12.788 0.871 -13.130 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -11.050 0.583 -13.384 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -11.262 -0.378 -16.286 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -10.296 -1.160 -15.012 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -11.499 -2.104 -15.923 1.00 0.00 H new ATOM 645 N TYR A 41 -12.582 -0.506 -11.333 1.00 0.00 N ATOM 646 CA TYR A 41 -13.316 0.039 -10.159 1.00 0.00 C ATOM 647 C TYR A 41 -12.670 1.361 -9.737 1.00 0.00 C ATOM 648 O TYR A 41 -11.466 1.511 -9.771 1.00 0.00 O ATOM 649 CB TYR A 41 -13.245 -0.958 -9.000 1.00 0.00 C ATOM 650 CG TYR A 41 -14.593 -1.614 -8.819 1.00 0.00 C ATOM 651 CD1 TYR A 41 -15.665 -0.876 -8.301 1.00 0.00 C ATOM 652 CD2 TYR A 41 -14.771 -2.960 -9.167 1.00 0.00 C ATOM 653 CE1 TYR A 41 -16.917 -1.483 -8.132 1.00 0.00 C ATOM 654 CE2 TYR A 41 -16.023 -3.567 -8.998 1.00 0.00 C ATOM 655 CZ TYR A 41 -17.095 -2.828 -8.480 1.00 0.00 C ATOM 656 OH TYR A 41 -18.328 -3.426 -8.314 1.00 0.00 O ATOM 0 H TYR A 41 -11.610 -0.206 -11.412 1.00 0.00 H new ATOM 0 HA TYR A 41 -14.360 0.206 -10.424 1.00 0.00 H new ATOM 0 HB2 TYR A 41 -12.485 -1.713 -9.201 1.00 0.00 H new ATOM 0 HB3 TYR A 41 -12.951 -0.447 -8.083 1.00 0.00 H new ATOM 0 HD1 TYR A 41 -15.527 0.161 -8.032 1.00 0.00 H new ATOM 0 HD2 TYR A 41 -13.944 -3.529 -9.565 1.00 0.00 H new ATOM 0 HE1 TYR A 41 -17.744 -0.914 -7.734 1.00 0.00 H new ATOM 0 HE2 TYR A 41 -16.161 -4.604 -9.267 1.00 0.00 H new ATOM 0 HH TYR A 41 -18.280 -4.361 -8.605 1.00 0.00 H new ATOM 666 N PHE A 42 -13.457 2.324 -9.344 1.00 0.00 N ATOM 667 CA PHE A 42 -12.876 3.632 -8.926 1.00 0.00 C ATOM 668 C PHE A 42 -12.852 3.717 -7.398 1.00 0.00 C ATOM 669 O PHE A 42 -13.863 3.559 -6.744 1.00 0.00 O ATOM 670 CB PHE A 42 -13.731 4.772 -9.486 1.00 0.00 C ATOM 671 CG PHE A 42 -12.884 6.014 -9.626 1.00 0.00 C ATOM 672 CD1 PHE A 42 -12.038 6.166 -10.733 1.00 0.00 C ATOM 673 CD2 PHE A 42 -12.944 7.016 -8.649 1.00 0.00 C ATOM 674 CE1 PHE A 42 -11.253 7.319 -10.863 1.00 0.00 C ATOM 675 CE2 PHE A 42 -12.159 8.169 -8.778 1.00 0.00 C ATOM 676 CZ PHE A 42 -11.314 8.320 -9.885 1.00 0.00 C ATOM 0 H PHE A 42 -14.474 2.263 -9.294 1.00 0.00 H new ATOM 0 HA PHE A 42 -11.859 3.716 -9.310 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -14.144 4.489 -10.454 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -14.575 4.967 -8.824 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -11.991 5.394 -11.486 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -13.596 6.900 -7.796 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -10.601 7.436 -11.716 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -12.205 8.941 -8.024 1.00 0.00 H new ATOM 0 HZ PHE A 42 -10.709 9.209 -9.985 1.00 0.00 H new ATOM 727 N ILE A 46 -7.281 6.364 -7.100 1.00 0.00 N ATOM 728 CA ILE A 46 -6.659 5.796 -8.329 1.00 0.00 C ATOM 729 C ILE A 46 -7.643 4.818 -8.975 1.00 0.00 C ATOM 730 O ILE A 46 -8.840 5.031 -8.951 1.00 0.00 O ATOM 731 CB ILE A 46 -5.362 5.071 -7.959 1.00 0.00 C ATOM 732 CG1 ILE A 46 -5.672 3.928 -6.990 1.00 0.00 C ATOM 733 CG2 ILE A 46 -4.403 6.058 -7.289 1.00 0.00 C ATOM 734 CD1 ILE A 46 -4.391 3.142 -6.703 1.00 0.00 C ATOM 0 HA ILE A 46 -6.426 6.595 -9.033 1.00 0.00 H new ATOM 0 HB ILE A 46 -4.902 4.667 -8.861 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -6.084 4.325 -6.062 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -6.428 3.269 -7.418 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -3.479 5.545 -7.024 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -4.181 6.874 -7.977 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -4.866 6.460 -6.388 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -4.611 2.328 -6.013 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -3.999 2.733 -7.634 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -3.649 3.805 -6.257 1.00 0.00 H new ATOM 746 N PHE A 47 -7.164 3.750 -9.553 1.00 0.00 N ATOM 747 CA PHE A 47 -8.097 2.781 -10.189 1.00 0.00 C ATOM 748 C PHE A 47 -7.982 1.429 -9.486 1.00 0.00 C ATOM 749 O PHE A 47 -7.098 1.210 -8.681 1.00 0.00 O ATOM 750 CB PHE A 47 -7.745 2.626 -11.668 1.00 0.00 C ATOM 751 CG PHE A 47 -8.122 3.886 -12.410 1.00 0.00 C ATOM 752 CD1 PHE A 47 -9.470 4.178 -12.657 1.00 0.00 C ATOM 753 CD2 PHE A 47 -7.122 4.761 -12.856 1.00 0.00 C ATOM 754 CE1 PHE A 47 -9.818 5.347 -13.348 1.00 0.00 C ATOM 755 CE2 PHE A 47 -7.469 5.929 -13.547 1.00 0.00 C ATOM 756 CZ PHE A 47 -8.817 6.222 -13.793 1.00 0.00 C ATOM 0 H PHE A 47 -6.175 3.509 -9.612 1.00 0.00 H new ATOM 0 HA PHE A 47 -9.120 3.148 -10.101 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -6.679 2.430 -11.780 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -8.272 1.771 -12.091 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -10.240 3.503 -12.315 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -6.083 4.535 -12.667 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -10.857 5.574 -13.538 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -6.698 6.603 -13.890 1.00 0.00 H new ATOM 0 HZ PHE A 47 -9.085 7.122 -14.326 1.00 0.00 H new ATOM 766 N LYS A 48 -8.870 0.522 -9.777 1.00 0.00 N ATOM 767 CA LYS A 48 -8.812 -0.811 -9.117 1.00 0.00 C ATOM 768 C LYS A 48 -9.217 -1.897 -10.113 1.00 0.00 C ATOM 769 O LYS A 48 -10.142 -1.738 -10.882 1.00 0.00 O ATOM 770 CB LYS A 48 -9.773 -0.829 -7.928 1.00 0.00 C ATOM 771 CG LYS A 48 -9.001 -1.163 -6.650 1.00 0.00 C ATOM 772 CD LYS A 48 -9.921 -0.992 -5.440 1.00 0.00 C ATOM 773 CE LYS A 48 -9.390 0.133 -4.548 1.00 0.00 C ATOM 774 NZ LYS A 48 -8.294 -0.392 -3.685 1.00 0.00 N ATOM 0 H LYS A 48 -9.633 0.645 -10.443 1.00 0.00 H new ATOM 0 HA LYS A 48 -7.796 -1.000 -8.771 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -10.261 0.140 -7.827 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -10.559 -1.566 -8.094 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -8.627 -2.186 -6.695 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -8.133 -0.511 -6.556 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -10.934 -0.761 -5.770 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -9.974 -1.923 -4.876 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -9.022 0.955 -5.162 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -10.194 0.532 -3.930 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -8.418 -0.041 -2.714 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -8.321 -1.432 -3.684 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -7.377 -0.070 -4.054 1.00 0.00 H new ATOM 788 N VAL A 49 -8.534 -3.006 -10.097 1.00 0.00 N ATOM 789 CA VAL A 49 -8.881 -4.110 -11.032 1.00 0.00 C ATOM 790 C VAL A 49 -9.348 -5.314 -10.212 1.00 0.00 C ATOM 791 O VAL A 49 -8.556 -6.003 -9.602 1.00 0.00 O ATOM 792 CB VAL A 49 -7.645 -4.490 -11.850 1.00 0.00 C ATOM 793 CG1 VAL A 49 -8.011 -5.576 -12.862 1.00 0.00 C ATOM 794 CG2 VAL A 49 -7.130 -3.256 -12.595 1.00 0.00 C ATOM 0 H VAL A 49 -7.748 -3.196 -9.475 1.00 0.00 H new ATOM 0 HA VAL A 49 -9.673 -3.794 -11.710 1.00 0.00 H new ATOM 0 HB VAL A 49 -6.871 -4.865 -11.181 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -7.129 -5.844 -13.443 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -8.379 -6.456 -12.334 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -8.786 -5.203 -13.531 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -6.249 -3.524 -13.178 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -7.907 -2.883 -13.262 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -6.866 -2.481 -11.876 1.00 0.00 H new ATOM 804 N ARG A 50 -10.628 -5.566 -10.177 1.00 0.00 N ATOM 805 CA ARG A 50 -11.137 -6.718 -9.374 1.00 0.00 C ATOM 806 C ARG A 50 -11.388 -7.920 -10.286 1.00 0.00 C ATOM 807 O ARG A 50 -12.034 -7.811 -11.310 1.00 0.00 O ATOM 808 CB ARG A 50 -12.444 -6.319 -8.687 1.00 0.00 C ATOM 809 CG ARG A 50 -12.853 -7.407 -7.691 1.00 0.00 C ATOM 810 CD ARG A 50 -13.090 -6.777 -6.317 1.00 0.00 C ATOM 811 NE ARG A 50 -14.473 -7.091 -5.857 1.00 0.00 N ATOM 812 CZ ARG A 50 -15.499 -6.572 -6.474 1.00 0.00 C ATOM 813 NH1 ARG A 50 -15.670 -5.279 -6.481 1.00 0.00 N ATOM 814 NH2 ARG A 50 -16.354 -7.347 -7.084 1.00 0.00 N ATOM 0 H ARG A 50 -11.342 -5.027 -10.667 1.00 0.00 H new ATOM 0 HA ARG A 50 -10.394 -6.988 -8.624 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -12.319 -5.367 -8.171 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -13.229 -6.178 -9.430 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -13.758 -7.908 -8.034 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -12.074 -8.166 -7.625 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -12.362 -7.157 -5.600 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -12.950 -5.697 -6.371 1.00 0.00 H new ATOM 0 HE ARG A 50 -14.617 -7.711 -5.060 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -15.002 -4.674 -6.004 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -16.472 -4.873 -6.963 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -16.220 -8.358 -7.078 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -17.156 -6.941 -7.566 1.00 0.00 H new ATOM 828 N LEU A 51 -10.888 -9.068 -9.917 1.00 0.00 N ATOM 829 CA LEU A 51 -11.103 -10.279 -10.758 1.00 0.00 C ATOM 830 C LEU A 51 -12.318 -11.049 -10.235 1.00 0.00 C ATOM 831 O LEU A 51 -12.209 -11.871 -9.346 1.00 0.00 O ATOM 832 CB LEU A 51 -9.862 -11.171 -10.688 1.00 0.00 C ATOM 833 CG LEU A 51 -8.826 -10.688 -11.704 1.00 0.00 C ATOM 834 CD1 LEU A 51 -8.320 -9.302 -11.300 1.00 0.00 C ATOM 835 CD2 LEU A 51 -7.652 -11.668 -11.739 1.00 0.00 C ATOM 0 H LEU A 51 -10.340 -9.219 -9.070 1.00 0.00 H new ATOM 0 HA LEU A 51 -11.279 -9.982 -11.792 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -9.440 -11.146 -9.683 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -10.134 -12.206 -10.894 1.00 0.00 H new ATOM 0 HG LEU A 51 -9.285 -10.633 -12.691 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -7.582 -8.959 -12.025 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -9.156 -8.603 -11.274 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -7.861 -9.356 -10.313 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -6.913 -11.325 -12.463 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -7.194 -11.723 -10.751 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -8.011 -12.656 -12.028 1.00 0.00 H new ATOM 847 N LEU A 52 -13.478 -10.789 -10.776 1.00 0.00 N ATOM 848 CA LEU A 52 -14.698 -11.505 -10.306 1.00 0.00 C ATOM 849 C LEU A 52 -14.805 -12.856 -11.015 1.00 0.00 C ATOM 850 O LEU A 52 -14.621 -12.956 -12.212 1.00 0.00 O ATOM 851 CB LEU A 52 -15.938 -10.664 -10.620 1.00 0.00 C ATOM 852 CG LEU A 52 -17.076 -11.047 -9.671 1.00 0.00 C ATOM 853 CD1 LEU A 52 -17.510 -12.487 -9.947 1.00 0.00 C ATOM 854 CD2 LEU A 52 -16.594 -10.930 -8.222 1.00 0.00 C ATOM 0 H LEU A 52 -13.633 -10.112 -11.523 1.00 0.00 H new ATOM 0 HA LEU A 52 -14.631 -11.665 -9.230 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -15.706 -9.604 -10.516 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -16.245 -10.823 -11.654 1.00 0.00 H new ATOM 0 HG LEU A 52 -17.920 -10.376 -9.830 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -18.320 -12.759 -9.271 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -17.854 -12.572 -10.978 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -16.666 -13.158 -9.790 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -17.404 -11.203 -7.546 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -15.749 -11.600 -8.064 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -16.285 -9.904 -8.023 1.00 0.00 H new ATOM 866 N GLY A 53 -15.102 -13.897 -10.285 1.00 0.00 N ATOM 867 CA GLY A 53 -15.222 -15.241 -10.918 1.00 0.00 C ATOM 868 C GLY A 53 -13.877 -15.969 -10.838 1.00 0.00 C ATOM 869 O GLY A 53 -13.765 -17.123 -11.198 1.00 0.00 O ATOM 0 H GLY A 53 -15.267 -13.875 -9.279 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -15.993 -15.824 -10.414 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -15.530 -15.138 -11.959 1.00 0.00 H new ATOM 873 N TYR A 54 -12.856 -15.303 -10.369 1.00 0.00 N ATOM 874 CA TYR A 54 -11.522 -15.958 -10.269 1.00 0.00 C ATOM 875 C TYR A 54 -11.018 -15.878 -8.827 1.00 0.00 C ATOM 876 O TYR A 54 -9.911 -15.450 -8.569 1.00 0.00 O ATOM 877 CB TYR A 54 -10.534 -15.243 -11.193 1.00 0.00 C ATOM 878 CG TYR A 54 -9.787 -16.263 -12.018 1.00 0.00 C ATOM 879 CD1 TYR A 54 -10.357 -16.762 -13.197 1.00 0.00 C ATOM 880 CD2 TYR A 54 -8.525 -16.710 -11.605 1.00 0.00 C ATOM 881 CE1 TYR A 54 -9.664 -17.709 -13.963 1.00 0.00 C ATOM 882 CE2 TYR A 54 -7.832 -17.657 -12.371 1.00 0.00 C ATOM 883 CZ TYR A 54 -8.401 -18.156 -13.550 1.00 0.00 C ATOM 884 OH TYR A 54 -7.719 -19.088 -14.305 1.00 0.00 O ATOM 0 H TYR A 54 -12.889 -14.334 -10.051 1.00 0.00 H new ATOM 0 HA TYR A 54 -11.609 -17.003 -10.565 1.00 0.00 H new ATOM 0 HB2 TYR A 54 -11.066 -14.551 -11.846 1.00 0.00 H new ATOM 0 HB3 TYR A 54 -9.833 -14.651 -10.605 1.00 0.00 H new ATOM 0 HD1 TYR A 54 -11.330 -16.417 -13.515 1.00 0.00 H new ATOM 0 HD2 TYR A 54 -8.086 -16.325 -10.696 1.00 0.00 H new ATOM 0 HE1 TYR A 54 -10.103 -18.094 -14.871 1.00 0.00 H new ATOM 0 HE2 TYR A 54 -6.859 -18.002 -12.053 1.00 0.00 H new ATOM 0 HH TYR A 54 -6.859 -19.288 -13.879 1.00 0.00 H new ATOM 894 N GLU A 55 -11.822 -16.284 -7.883 1.00 0.00 N ATOM 895 CA GLU A 55 -11.387 -16.228 -6.459 1.00 0.00 C ATOM 896 C GLU A 55 -11.453 -14.785 -5.965 1.00 0.00 C ATOM 897 O GLU A 55 -11.981 -13.914 -6.628 1.00 0.00 O ATOM 898 CB GLU A 55 -9.950 -16.744 -6.343 1.00 0.00 C ATOM 899 CG GLU A 55 -9.763 -17.945 -7.271 1.00 0.00 C ATOM 900 CD GLU A 55 -9.090 -19.085 -6.502 1.00 0.00 C ATOM 901 OE1 GLU A 55 -9.398 -19.248 -5.333 1.00 0.00 O ATOM 902 OE2 GLU A 55 -8.280 -19.777 -7.096 1.00 0.00 O ATOM 0 H GLU A 55 -12.761 -16.652 -8.036 1.00 0.00 H new ATOM 0 HA GLU A 55 -12.045 -16.850 -5.852 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -9.246 -15.954 -6.606 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -9.737 -17.030 -5.313 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -10.728 -18.273 -7.658 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -9.155 -17.663 -8.130 1.00 0.00 H new ATOM 909 N GLY A 56 -10.919 -14.522 -4.805 1.00 0.00 N ATOM 910 CA GLY A 56 -10.949 -13.132 -4.271 1.00 0.00 C ATOM 911 C GLY A 56 -9.812 -12.321 -4.896 1.00 0.00 C ATOM 912 O GLY A 56 -9.530 -11.215 -4.481 1.00 0.00 O ATOM 0 H GLY A 56 -10.463 -15.209 -4.204 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -11.908 -12.666 -4.495 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -10.847 -13.146 -3.186 1.00 0.00 H new ATOM 916 N HIS A 57 -9.157 -12.863 -5.889 1.00 0.00 N ATOM 917 CA HIS A 57 -8.036 -12.123 -6.542 1.00 0.00 C ATOM 918 C HIS A 57 -8.420 -10.651 -6.709 1.00 0.00 C ATOM 919 O HIS A 57 -9.102 -10.277 -7.646 1.00 0.00 O ATOM 920 CB HIS A 57 -7.752 -12.734 -7.917 1.00 0.00 C ATOM 921 CG HIS A 57 -6.318 -13.184 -7.980 1.00 0.00 C ATOM 922 ND1 HIS A 57 -5.601 -13.202 -9.166 1.00 0.00 N ATOM 923 CD2 HIS A 57 -5.453 -13.633 -7.013 1.00 0.00 C ATOM 924 CE1 HIS A 57 -4.363 -13.646 -8.885 1.00 0.00 C ATOM 925 NE2 HIS A 57 -4.218 -13.924 -7.586 1.00 0.00 N ATOM 0 H HIS A 57 -9.350 -13.787 -6.277 1.00 0.00 H new ATOM 0 HA HIS A 57 -7.144 -12.197 -5.919 1.00 0.00 H new ATOM 0 HB2 HIS A 57 -8.417 -13.579 -8.096 1.00 0.00 H new ATOM 0 HB3 HIS A 57 -7.949 -12.002 -8.700 1.00 0.00 H new ATOM 0 HD2 HIS A 57 -5.694 -13.744 -5.966 1.00 0.00 H new ATOM 0 HE1 HIS A 57 -3.581 -13.764 -9.620 1.00 0.00 H new ATOM 0 HE2 HIS A 57 -3.383 -14.274 -7.116 1.00 0.00 H new ATOM 933 N GLU A 58 -7.989 -9.812 -5.807 1.00 0.00 N ATOM 934 CA GLU A 58 -8.328 -8.365 -5.911 1.00 0.00 C ATOM 935 C GLU A 58 -7.065 -7.571 -6.250 1.00 0.00 C ATOM 936 O GLU A 58 -6.163 -7.440 -5.445 1.00 0.00 O ATOM 937 CB GLU A 58 -8.899 -7.875 -4.578 1.00 0.00 C ATOM 938 CG GLU A 58 -9.601 -6.533 -4.791 1.00 0.00 C ATOM 939 CD GLU A 58 -10.118 -6.009 -3.450 1.00 0.00 C ATOM 940 OE1 GLU A 58 -11.190 -6.427 -3.047 1.00 0.00 O ATOM 941 OE2 GLU A 58 -9.433 -5.197 -2.850 1.00 0.00 O ATOM 0 H GLU A 58 -7.416 -10.067 -5.002 1.00 0.00 H new ATOM 0 HA GLU A 58 -9.070 -8.221 -6.696 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -9.602 -8.607 -4.179 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -8.100 -7.768 -3.844 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -8.910 -5.815 -5.232 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -10.428 -6.650 -5.491 1.00 0.00 H new ATOM 948 N CYS A 59 -6.994 -7.040 -7.439 1.00 0.00 N ATOM 949 CA CYS A 59 -5.791 -6.257 -7.834 1.00 0.00 C ATOM 950 C CYS A 59 -6.121 -4.763 -7.815 1.00 0.00 C ATOM 951 O CYS A 59 -7.268 -4.370 -7.736 1.00 0.00 O ATOM 952 CB CYS A 59 -5.358 -6.666 -9.244 1.00 0.00 C ATOM 953 SG CYS A 59 -5.567 -8.453 -9.446 1.00 0.00 S ATOM 0 H CYS A 59 -7.718 -7.115 -8.154 1.00 0.00 H new ATOM 0 HA CYS A 59 -4.982 -6.457 -7.131 1.00 0.00 H new ATOM 0 HB2 CYS A 59 -5.952 -6.134 -9.987 1.00 0.00 H new ATOM 0 HB3 CYS A 59 -4.317 -6.390 -9.411 1.00 0.00 H new ATOM 0 HG CYS A 59 -5.201 -8.800 -10.644 1.00 0.00 H new ATOM 959 N ILE A 60 -5.120 -3.929 -7.889 1.00 0.00 N ATOM 960 CA ILE A 60 -5.366 -2.459 -7.877 1.00 0.00 C ATOM 961 C ILE A 60 -4.621 -1.819 -9.049 1.00 0.00 C ATOM 962 O ILE A 60 -3.500 -2.170 -9.346 1.00 0.00 O ATOM 963 CB ILE A 60 -4.857 -1.861 -6.562 1.00 0.00 C ATOM 964 CG1 ILE A 60 -3.678 -2.690 -6.041 1.00 0.00 C ATOM 965 CG2 ILE A 60 -5.983 -1.874 -5.525 1.00 0.00 C ATOM 966 CD1 ILE A 60 -2.889 -1.873 -5.017 1.00 0.00 C ATOM 0 H ILE A 60 -4.140 -4.203 -7.957 1.00 0.00 H new ATOM 0 HA ILE A 60 -6.435 -2.267 -7.968 1.00 0.00 H new ATOM 0 HB ILE A 60 -4.531 -0.835 -6.735 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -4.041 -3.611 -5.584 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -3.030 -2.979 -6.868 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -5.621 -1.448 -4.589 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -6.822 -1.283 -5.892 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -6.309 -2.900 -5.355 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -2.051 -2.464 -4.648 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -2.513 -0.965 -5.488 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -3.540 -1.607 -4.184 1.00 0.00 H new ATOM 978 N LEU A 61 -5.230 -0.881 -9.717 1.00 0.00 N ATOM 979 CA LEU A 61 -4.546 -0.229 -10.867 1.00 0.00 C ATOM 980 C LEU A 61 -3.938 1.095 -10.407 1.00 0.00 C ATOM 981 O LEU A 61 -4.637 2.002 -9.990 1.00 0.00 O ATOM 982 CB LEU A 61 -5.557 0.031 -11.984 1.00 0.00 C ATOM 983 CG LEU A 61 -4.868 0.759 -13.137 1.00 0.00 C ATOM 984 CD1 LEU A 61 -3.877 -0.187 -13.816 1.00 0.00 C ATOM 985 CD2 LEU A 61 -5.919 1.211 -14.154 1.00 0.00 C ATOM 0 H LEU A 61 -6.170 -0.538 -9.517 1.00 0.00 H new ATOM 0 HA LEU A 61 -3.758 -0.882 -11.241 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -5.978 -0.911 -12.335 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -6.386 0.629 -11.606 1.00 0.00 H new ATOM 0 HG LEU A 61 -4.336 1.629 -12.752 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -3.385 0.331 -14.639 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -3.129 -0.511 -13.092 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -4.410 -1.056 -14.202 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -5.429 1.731 -14.977 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -6.450 0.341 -14.539 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -6.627 1.884 -13.671 1.00 0.00 H new ATOM 997 N LEU A 62 -2.640 1.214 -10.472 1.00 0.00 N ATOM 998 CA LEU A 62 -1.989 2.481 -10.029 1.00 0.00 C ATOM 999 C LEU A 62 -1.083 3.010 -11.141 1.00 0.00 C ATOM 1000 O LEU A 62 -0.992 4.199 -11.367 1.00 0.00 O ATOM 1001 CB LEU A 62 -1.147 2.228 -8.769 1.00 0.00 C ATOM 1002 CG LEU A 62 -1.607 0.943 -8.074 1.00 0.00 C ATOM 1003 CD1 LEU A 62 -0.792 -0.240 -8.598 1.00 0.00 C ATOM 1004 CD2 LEU A 62 -1.394 1.077 -6.564 1.00 0.00 C ATOM 0 H LEU A 62 -2.004 0.492 -10.811 1.00 0.00 H new ATOM 0 HA LEU A 62 -2.763 3.215 -9.805 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -0.093 2.148 -9.037 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -1.239 3.072 -8.086 1.00 0.00 H new ATOM 0 HG LEU A 62 -2.664 0.777 -8.281 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -1.119 -1.155 -8.104 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -0.940 -0.336 -9.674 1.00 0.00 H new ATOM 0 HD13 LEU A 62 0.265 -0.074 -8.391 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -1.721 0.163 -6.068 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -0.336 1.243 -6.359 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -1.973 1.921 -6.188 1.00 0.00 H new ATOM 1324 N VAL A 80 -15.633 3.569 -16.703 1.00 0.00 N ATOM 1325 CA VAL A 80 -15.038 2.790 -15.584 1.00 0.00 C ATOM 1326 C VAL A 80 -15.909 1.567 -15.295 1.00 0.00 C ATOM 1327 O VAL A 80 -17.065 1.512 -15.670 1.00 0.00 O ATOM 1328 CB VAL A 80 -14.960 3.668 -14.337 1.00 0.00 C ATOM 1329 CG1 VAL A 80 -14.103 2.974 -13.277 1.00 0.00 C ATOM 1330 CG2 VAL A 80 -14.329 5.016 -14.698 1.00 0.00 C ATOM 0 HA VAL A 80 -14.035 2.464 -15.861 1.00 0.00 H new ATOM 0 HB VAL A 80 -15.964 3.830 -13.945 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -14.047 3.601 -12.387 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -14.551 2.015 -13.018 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -13.099 2.812 -13.670 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -14.274 5.642 -13.807 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -13.325 4.854 -15.091 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -14.938 5.512 -15.453 1.00 0.00 H new ATOM 1340 N GLY A 81 -15.366 0.586 -14.633 1.00 0.00 N ATOM 1341 CA GLY A 81 -16.162 -0.634 -14.321 1.00 0.00 C ATOM 1342 C GLY A 81 -16.044 -1.635 -15.474 1.00 0.00 C ATOM 1343 O GLY A 81 -15.793 -2.806 -15.265 1.00 0.00 O ATOM 0 H GLY A 81 -14.404 0.575 -14.294 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -15.805 -1.086 -13.396 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -17.207 -0.368 -14.163 1.00 0.00 H new ATOM 1347 N ARG A 82 -16.226 -1.183 -16.688 1.00 0.00 N ATOM 1348 CA ARG A 82 -16.130 -2.107 -17.855 1.00 0.00 C ATOM 1349 C ARG A 82 -14.948 -3.063 -17.667 1.00 0.00 C ATOM 1350 O ARG A 82 -14.078 -2.839 -16.849 1.00 0.00 O ATOM 1351 CB ARG A 82 -15.926 -1.293 -19.133 1.00 0.00 C ATOM 1352 CG ARG A 82 -17.052 -1.602 -20.122 1.00 0.00 C ATOM 1353 CD ARG A 82 -18.281 -0.760 -19.776 1.00 0.00 C ATOM 1354 NE ARG A 82 -18.967 -0.346 -21.033 1.00 0.00 N ATOM 1355 CZ ARG A 82 -20.252 -0.529 -21.166 1.00 0.00 C ATOM 1356 NH1 ARG A 82 -20.710 -1.689 -21.550 1.00 0.00 N ATOM 1357 NH2 ARG A 82 -21.080 0.449 -20.915 1.00 0.00 N ATOM 0 H ARG A 82 -16.437 -0.213 -16.921 1.00 0.00 H new ATOM 0 HA ARG A 82 -17.051 -2.685 -17.931 1.00 0.00 H new ATOM 0 HB2 ARG A 82 -15.914 -0.228 -18.900 1.00 0.00 H new ATOM 0 HB3 ARG A 82 -14.961 -1.532 -19.579 1.00 0.00 H new ATOM 0 HG2 ARG A 82 -16.726 -1.387 -21.140 1.00 0.00 H new ATOM 0 HG3 ARG A 82 -17.302 -2.662 -20.085 1.00 0.00 H new ATOM 0 HD2 ARG A 82 -18.963 -1.333 -19.148 1.00 0.00 H new ATOM 0 HD3 ARG A 82 -17.984 0.119 -19.204 1.00 0.00 H new ATOM 0 HE ARG A 82 -18.432 0.080 -21.789 1.00 0.00 H new ATOM 0 HH11 ARG A 82 -20.063 -2.453 -21.746 1.00 0.00 H new ATOM 0 HH12 ARG A 82 -21.715 -1.832 -21.654 1.00 0.00 H new ATOM 0 HH21 ARG A 82 -20.722 1.356 -20.615 1.00 0.00 H new ATOM 0 HH22 ARG A 82 -22.085 0.306 -21.019 1.00 0.00 H new ATOM 1371 N VAL A 83 -14.909 -4.125 -18.425 1.00 0.00 N ATOM 1372 CA VAL A 83 -13.784 -5.094 -18.298 1.00 0.00 C ATOM 1373 C VAL A 83 -12.750 -4.805 -19.387 1.00 0.00 C ATOM 1374 O VAL A 83 -13.079 -4.324 -20.453 1.00 0.00 O ATOM 1375 CB VAL A 83 -14.312 -6.520 -18.465 1.00 0.00 C ATOM 1376 CG1 VAL A 83 -15.398 -6.788 -17.422 1.00 0.00 C ATOM 1377 CG2 VAL A 83 -14.901 -6.680 -19.867 1.00 0.00 C ATOM 0 H VAL A 83 -15.609 -4.363 -19.128 1.00 0.00 H new ATOM 0 HA VAL A 83 -13.324 -4.993 -17.315 1.00 0.00 H new ATOM 0 HB VAL A 83 -13.496 -7.230 -18.328 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -15.774 -7.804 -17.541 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -14.979 -6.671 -16.422 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -16.216 -6.080 -17.558 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -15.278 -7.695 -19.989 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -15.718 -5.971 -20.002 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -14.128 -6.488 -20.611 1.00 0.00 H new ATOM 1387 N ILE A 84 -11.501 -5.084 -19.126 1.00 0.00 N ATOM 1388 CA ILE A 84 -10.453 -4.809 -20.149 1.00 0.00 C ATOM 1389 C ILE A 84 -9.239 -5.714 -19.910 1.00 0.00 C ATOM 1390 O ILE A 84 -9.177 -6.446 -18.943 1.00 0.00 O ATOM 1391 CB ILE A 84 -10.024 -3.342 -20.047 1.00 0.00 C ATOM 1392 CG1 ILE A 84 -9.123 -3.150 -18.821 1.00 0.00 C ATOM 1393 CG2 ILE A 84 -11.264 -2.455 -19.908 1.00 0.00 C ATOM 1394 CD1 ILE A 84 -9.799 -3.743 -17.583 1.00 0.00 C ATOM 0 H ILE A 84 -11.163 -5.488 -18.253 1.00 0.00 H new ATOM 0 HA ILE A 84 -10.856 -5.009 -21.142 1.00 0.00 H new ATOM 0 HB ILE A 84 -9.475 -3.065 -20.947 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -8.160 -3.633 -18.987 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -8.926 -2.089 -18.666 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -10.958 -1.411 -19.835 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -11.905 -2.586 -20.780 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -11.813 -2.736 -19.009 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -9.155 -3.604 -16.715 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -10.751 -3.240 -17.412 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -9.973 -4.808 -17.739 1.00 0.00 H new ATOM 1406 N LYS A 85 -8.270 -5.658 -20.785 1.00 0.00 N ATOM 1407 CA LYS A 85 -7.054 -6.503 -20.612 1.00 0.00 C ATOM 1408 C LYS A 85 -5.898 -5.629 -20.115 1.00 0.00 C ATOM 1409 O LYS A 85 -5.415 -4.766 -20.820 1.00 0.00 O ATOM 1410 CB LYS A 85 -6.673 -7.137 -21.953 1.00 0.00 C ATOM 1411 CG LYS A 85 -7.895 -7.830 -22.558 1.00 0.00 C ATOM 1412 CD LYS A 85 -7.558 -9.292 -22.856 1.00 0.00 C ATOM 1413 CE LYS A 85 -6.586 -9.365 -24.035 1.00 0.00 C ATOM 1414 NZ LYS A 85 -5.887 -10.680 -24.020 1.00 0.00 N ATOM 0 H LYS A 85 -8.269 -5.062 -21.613 1.00 0.00 H new ATOM 0 HA LYS A 85 -7.258 -7.290 -19.886 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -6.301 -6.373 -22.635 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -5.867 -7.857 -21.811 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -8.737 -7.773 -21.868 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -8.198 -7.322 -23.473 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -7.115 -9.760 -21.977 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -8.468 -9.846 -23.087 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -7.126 -9.238 -24.974 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -5.860 -8.554 -23.973 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -5.226 -10.731 -24.821 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -5.360 -10.783 -23.129 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -6.586 -11.446 -24.099 1.00 0.00 H new ATOM 1428 N THR A 86 -5.455 -5.844 -18.907 1.00 0.00 N ATOM 1429 CA THR A 86 -4.335 -5.022 -18.364 1.00 0.00 C ATOM 1430 C THR A 86 -3.149 -5.932 -18.032 1.00 0.00 C ATOM 1431 O THR A 86 -3.234 -7.141 -18.137 1.00 0.00 O ATOM 1432 CB THR A 86 -4.802 -4.305 -17.096 1.00 0.00 C ATOM 1433 OG1 THR A 86 -5.248 -5.264 -16.147 1.00 0.00 O ATOM 1434 CG2 THR A 86 -5.952 -3.355 -17.441 1.00 0.00 C ATOM 0 H THR A 86 -5.820 -6.554 -18.272 1.00 0.00 H new ATOM 0 HA THR A 86 -4.028 -4.285 -19.106 1.00 0.00 H new ATOM 0 HB THR A 86 -3.974 -3.735 -16.675 1.00 0.00 H new ATOM 0 HG1 THR A 86 -5.826 -4.827 -15.488 1.00 0.00 H new ATOM 0 HG21 THR A 86 -6.285 -2.844 -16.538 1.00 0.00 H new ATOM 0 HG22 THR A 86 -5.610 -2.619 -18.169 1.00 0.00 H new ATOM 0 HG23 THR A 86 -6.781 -3.924 -17.862 1.00 0.00 H new ATOM 1442 N ARG A 87 -2.041 -5.364 -17.632 1.00 0.00 N ATOM 1443 CA ARG A 87 -0.857 -6.203 -17.297 1.00 0.00 C ATOM 1444 C ARG A 87 -0.776 -6.382 -15.780 1.00 0.00 C ATOM 1445 O ARG A 87 -1.292 -5.581 -15.023 1.00 0.00 O ATOM 1446 CB ARG A 87 0.414 -5.518 -17.803 1.00 0.00 C ATOM 1447 CG ARG A 87 0.518 -5.689 -19.320 1.00 0.00 C ATOM 1448 CD ARG A 87 -0.767 -5.184 -19.981 1.00 0.00 C ATOM 1449 NE ARG A 87 -0.494 -4.849 -21.406 1.00 0.00 N ATOM 1450 CZ ARG A 87 -1.482 -4.563 -22.211 1.00 0.00 C ATOM 1451 NH1 ARG A 87 -2.597 -4.086 -21.729 1.00 0.00 N ATOM 1452 NH2 ARG A 87 -1.355 -4.752 -23.495 1.00 0.00 N ATOM 0 H ARG A 87 -1.907 -4.359 -17.524 1.00 0.00 H new ATOM 0 HA ARG A 87 -0.954 -7.179 -17.773 1.00 0.00 H new ATOM 0 HB2 ARG A 87 0.396 -4.459 -17.546 1.00 0.00 H new ATOM 0 HB3 ARG A 87 1.290 -5.948 -17.317 1.00 0.00 H new ATOM 0 HG2 ARG A 87 1.377 -5.136 -19.701 1.00 0.00 H new ATOM 0 HG3 ARG A 87 0.679 -6.738 -19.568 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -1.544 -5.945 -19.918 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -1.138 -4.305 -19.454 1.00 0.00 H new ATOM 0 HE ARG A 87 0.465 -4.843 -21.754 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -2.696 -3.937 -20.725 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -3.369 -3.862 -22.356 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -0.483 -5.124 -23.872 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -2.128 -4.528 -24.122 1.00 0.00 H new ATOM 1466 N VAL A 88 -0.133 -7.423 -15.326 1.00 0.00 N ATOM 1467 CA VAL A 88 -0.029 -7.648 -13.858 1.00 0.00 C ATOM 1468 C VAL A 88 1.312 -7.114 -13.359 1.00 0.00 C ATOM 1469 O VAL A 88 2.360 -7.485 -13.847 1.00 0.00 O ATOM 1470 CB VAL A 88 -0.129 -9.144 -13.560 1.00 0.00 C ATOM 1471 CG1 VAL A 88 -0.422 -9.349 -12.072 1.00 0.00 C ATOM 1472 CG2 VAL A 88 -1.261 -9.753 -14.390 1.00 0.00 C ATOM 0 H VAL A 88 0.324 -8.126 -15.908 1.00 0.00 H new ATOM 0 HA VAL A 88 -0.840 -7.126 -13.351 1.00 0.00 H new ATOM 0 HB VAL A 88 0.813 -9.630 -13.816 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -0.493 -10.416 -11.859 1.00 0.00 H new ATOM 0 HG12 VAL A 88 0.383 -8.914 -11.479 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -1.364 -8.864 -11.816 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -1.334 -10.820 -14.179 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -2.202 -9.267 -14.133 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -1.054 -9.606 -15.450 1.00 0.00 H new ATOM 1482 N VAL A 89 1.284 -6.233 -12.397 1.00 0.00 N ATOM 1483 CA VAL A 89 2.556 -5.664 -11.877 1.00 0.00 C ATOM 1484 C VAL A 89 3.191 -6.643 -10.887 1.00 0.00 C ATOM 1485 O VAL A 89 4.397 -6.703 -10.747 1.00 0.00 O ATOM 1486 CB VAL A 89 2.268 -4.330 -11.181 1.00 0.00 C ATOM 1487 CG1 VAL A 89 3.457 -3.931 -10.302 1.00 0.00 C ATOM 1488 CG2 VAL A 89 2.036 -3.250 -12.240 1.00 0.00 C ATOM 0 H VAL A 89 0.436 -5.884 -11.950 1.00 0.00 H new ATOM 0 HA VAL A 89 3.247 -5.497 -12.703 1.00 0.00 H new ATOM 0 HB VAL A 89 1.381 -4.434 -10.556 1.00 0.00 H new ATOM 0 HG11 VAL A 89 3.244 -2.982 -9.811 1.00 0.00 H new ATOM 0 HG12 VAL A 89 3.626 -4.700 -9.548 1.00 0.00 H new ATOM 0 HG13 VAL A 89 4.348 -3.827 -10.921 1.00 0.00 H new ATOM 0 HG21 VAL A 89 1.830 -2.298 -11.750 1.00 0.00 H new ATOM 0 HG22 VAL A 89 2.926 -3.153 -12.862 1.00 0.00 H new ATOM 0 HG23 VAL A 89 1.186 -3.528 -12.863 1.00 0.00 H new ATOM 1498 N ARG A 90 2.393 -7.411 -10.198 1.00 0.00 N ATOM 1499 CA ARG A 90 2.954 -8.382 -9.219 1.00 0.00 C ATOM 1500 C ARG A 90 1.824 -8.931 -8.347 1.00 0.00 C ATOM 1501 O ARG A 90 1.303 -8.250 -7.485 1.00 0.00 O ATOM 1502 CB ARG A 90 3.987 -7.680 -8.336 1.00 0.00 C ATOM 1503 CG ARG A 90 5.388 -8.191 -8.681 1.00 0.00 C ATOM 1504 CD ARG A 90 6.339 -7.004 -8.843 1.00 0.00 C ATOM 1505 NE ARG A 90 7.349 -7.315 -9.893 1.00 0.00 N ATOM 1506 CZ ARG A 90 8.340 -6.493 -10.108 1.00 0.00 C ATOM 1507 NH1 ARG A 90 9.111 -6.127 -9.121 1.00 0.00 N ATOM 1508 NH2 ARG A 90 8.561 -6.037 -11.312 1.00 0.00 N ATOM 0 H ARG A 90 1.376 -7.408 -10.271 1.00 0.00 H new ATOM 0 HA ARG A 90 3.434 -9.202 -9.753 1.00 0.00 H new ATOM 0 HB2 ARG A 90 3.935 -6.601 -8.485 1.00 0.00 H new ATOM 0 HB3 ARG A 90 3.769 -7.867 -7.285 1.00 0.00 H new ATOM 0 HG2 ARG A 90 5.748 -8.855 -7.895 1.00 0.00 H new ATOM 0 HG3 ARG A 90 5.357 -8.774 -9.601 1.00 0.00 H new ATOM 0 HD2 ARG A 90 5.778 -6.110 -9.116 1.00 0.00 H new ATOM 0 HD3 ARG A 90 6.836 -6.791 -7.897 1.00 0.00 H new ATOM 0 HE ARG A 90 7.266 -8.170 -10.444 1.00 0.00 H new ATOM 0 HH11 ARG A 90 8.940 -6.483 -8.181 1.00 0.00 H new ATOM 0 HH12 ARG A 90 9.885 -5.485 -9.290 1.00 0.00 H new ATOM 0 HH21 ARG A 90 7.959 -6.323 -12.084 1.00 0.00 H new ATOM 0 HH22 ARG A 90 9.335 -5.395 -11.480 1.00 0.00 H new ATOM 1522 N ALA A 91 1.438 -10.156 -8.567 1.00 0.00 N ATOM 1523 CA ALA A 91 0.340 -10.749 -7.754 1.00 0.00 C ATOM 1524 C ALA A 91 0.935 -11.551 -6.594 1.00 0.00 C ATOM 1525 O ALA A 91 1.838 -12.345 -6.773 1.00 0.00 O ATOM 1526 CB ALA A 91 -0.504 -11.673 -8.635 1.00 0.00 C ATOM 0 H ALA A 91 1.836 -10.773 -9.275 1.00 0.00 H new ATOM 0 HA ALA A 91 -0.288 -9.952 -7.357 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -1.308 -12.108 -8.041 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -0.930 -11.101 -9.459 1.00 0.00 H new ATOM 0 HB3 ALA A 91 0.124 -12.470 -9.033 1.00 0.00 H new ATOM 1532 N ASP A 92 0.436 -11.350 -5.406 1.00 0.00 N ATOM 1533 CA ASP A 92 0.971 -12.099 -4.235 1.00 0.00 C ATOM 1534 C ASP A 92 0.008 -11.955 -3.054 1.00 0.00 C ATOM 1535 O ASP A 92 0.137 -11.064 -2.239 1.00 0.00 O ATOM 1536 CB ASP A 92 2.340 -11.533 -3.849 1.00 0.00 C ATOM 1537 CG ASP A 92 3.300 -12.683 -3.540 1.00 0.00 C ATOM 1538 OD1 ASP A 92 2.826 -13.729 -3.129 1.00 0.00 O ATOM 1539 OD2 ASP A 92 4.492 -12.498 -3.717 1.00 0.00 O ATOM 0 H ASP A 92 -0.320 -10.699 -5.195 1.00 0.00 H new ATOM 0 HA ASP A 92 1.074 -13.153 -4.494 1.00 0.00 H new ATOM 0 HB2 ASP A 92 2.735 -10.924 -4.662 1.00 0.00 H new ATOM 0 HB3 ASP A 92 2.244 -10.882 -2.980 1.00 0.00 H new ATOM 1544 N GLY A 93 -0.959 -12.827 -2.957 1.00 0.00 N ATOM 1545 CA GLY A 93 -1.931 -12.739 -1.829 1.00 0.00 C ATOM 1546 C GLY A 93 -3.289 -12.275 -2.360 1.00 0.00 C ATOM 1547 O GLY A 93 -3.570 -12.368 -3.538 1.00 0.00 O ATOM 0 H GLY A 93 -1.118 -13.595 -3.609 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -2.031 -13.710 -1.344 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -1.566 -12.042 -1.074 1.00 0.00 H new ATOM 1551 N LEU A 94 -4.134 -11.775 -1.500 1.00 0.00 N ATOM 1552 CA LEU A 94 -5.471 -11.304 -1.959 1.00 0.00 C ATOM 1553 C LEU A 94 -5.323 -9.949 -2.652 1.00 0.00 C ATOM 1554 O LEU A 94 -6.150 -9.554 -3.449 1.00 0.00 O ATOM 1555 CB LEU A 94 -6.404 -11.163 -0.754 1.00 0.00 C ATOM 1556 CG LEU A 94 -7.565 -12.150 -0.888 1.00 0.00 C ATOM 1557 CD1 LEU A 94 -7.909 -12.726 0.487 1.00 0.00 C ATOM 1558 CD2 LEU A 94 -8.786 -11.423 -1.455 1.00 0.00 C ATOM 0 H LEU A 94 -3.956 -11.673 -0.501 1.00 0.00 H new ATOM 0 HA LEU A 94 -5.890 -12.026 -2.659 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -5.855 -11.354 0.168 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -6.785 -10.144 -0.693 1.00 0.00 H new ATOM 0 HG LEU A 94 -7.278 -12.960 -1.558 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -8.736 -13.429 0.390 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -7.039 -13.243 0.893 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -8.197 -11.917 1.159 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -9.615 -12.124 -1.551 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -9.072 -10.614 -0.783 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -8.542 -11.012 -2.435 1.00 0.00 H new ATOM 1570 N TYR A 95 -4.272 -9.234 -2.356 1.00 0.00 N ATOM 1571 CA TYR A 95 -4.067 -7.906 -3.000 1.00 0.00 C ATOM 1572 C TYR A 95 -2.996 -8.031 -4.085 1.00 0.00 C ATOM 1573 O TYR A 95 -2.000 -8.704 -3.911 1.00 0.00 O ATOM 1574 CB TYR A 95 -3.614 -6.891 -1.948 1.00 0.00 C ATOM 1575 CG TYR A 95 -4.819 -6.352 -1.214 1.00 0.00 C ATOM 1576 CD1 TYR A 95 -5.519 -5.252 -1.728 1.00 0.00 C ATOM 1577 CD2 TYR A 95 -5.236 -6.951 -0.017 1.00 0.00 C ATOM 1578 CE1 TYR A 95 -6.635 -4.751 -1.045 1.00 0.00 C ATOM 1579 CE2 TYR A 95 -6.353 -6.449 0.665 1.00 0.00 C ATOM 1580 CZ TYR A 95 -7.052 -5.349 0.151 1.00 0.00 C ATOM 1581 OH TYR A 95 -8.152 -4.856 0.823 1.00 0.00 O ATOM 0 H TYR A 95 -3.546 -9.512 -1.696 1.00 0.00 H new ATOM 0 HA TYR A 95 -5.002 -7.569 -3.447 1.00 0.00 H new ATOM 0 HB2 TYR A 95 -2.928 -7.363 -1.245 1.00 0.00 H new ATOM 0 HB3 TYR A 95 -3.071 -6.075 -2.425 1.00 0.00 H new ATOM 0 HD1 TYR A 95 -5.198 -4.791 -2.650 1.00 0.00 H new ATOM 0 HD2 TYR A 95 -4.697 -7.799 0.379 1.00 0.00 H new ATOM 0 HE1 TYR A 95 -7.174 -3.903 -1.441 1.00 0.00 H new ATOM 0 HE2 TYR A 95 -6.675 -6.910 1.587 1.00 0.00 H new ATOM 0 HH TYR A 95 -8.305 -5.386 1.633 1.00 0.00 H new ATOM 1591 N VAL A 96 -3.195 -7.397 -5.207 1.00 0.00 N ATOM 1592 CA VAL A 96 -2.187 -7.493 -6.301 1.00 0.00 C ATOM 1593 C VAL A 96 -1.956 -6.112 -6.920 1.00 0.00 C ATOM 1594 O VAL A 96 -2.759 -5.214 -6.772 1.00 0.00 O ATOM 1595 CB VAL A 96 -2.705 -8.450 -7.376 1.00 0.00 C ATOM 1596 CG1 VAL A 96 -1.771 -8.422 -8.586 1.00 0.00 C ATOM 1597 CG2 VAL A 96 -2.764 -9.870 -6.806 1.00 0.00 C ATOM 0 H VAL A 96 -4.009 -6.818 -5.414 1.00 0.00 H new ATOM 0 HA VAL A 96 -1.246 -7.864 -5.895 1.00 0.00 H new ATOM 0 HB VAL A 96 -3.703 -8.140 -7.687 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -2.144 -9.105 -9.349 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -1.731 -7.411 -8.992 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -0.771 -8.730 -8.281 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -3.133 -10.554 -7.570 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -1.766 -10.179 -6.494 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -3.435 -9.890 -5.947 1.00 0.00 H new ATOM 1607 N ASP A 97 -0.869 -5.941 -7.623 1.00 0.00 N ATOM 1608 CA ASP A 97 -0.591 -4.626 -8.267 1.00 0.00 C ATOM 1609 C ASP A 97 -1.015 -4.705 -9.734 1.00 0.00 C ATOM 1610 O ASP A 97 -1.006 -5.763 -10.331 1.00 0.00 O ATOM 1611 CB ASP A 97 0.904 -4.312 -8.175 1.00 0.00 C ATOM 1612 CG ASP A 97 1.223 -3.745 -6.791 1.00 0.00 C ATOM 1613 OD1 ASP A 97 0.604 -2.760 -6.419 1.00 0.00 O ATOM 1614 OD2 ASP A 97 2.081 -4.301 -6.126 1.00 0.00 O ATOM 0 H ASP A 97 -0.160 -6.658 -7.779 1.00 0.00 H new ATOM 0 HA ASP A 97 -1.147 -3.837 -7.761 1.00 0.00 H new ATOM 0 HB2 ASP A 97 1.488 -5.215 -8.353 1.00 0.00 H new ATOM 0 HB3 ASP A 97 1.184 -3.595 -8.947 1.00 0.00 H new ATOM 1619 N LEU A 98 -1.407 -3.608 -10.320 1.00 0.00 N ATOM 1620 CA LEU A 98 -1.853 -3.656 -11.740 1.00 0.00 C ATOM 1621 C LEU A 98 -1.318 -2.455 -12.521 1.00 0.00 C ATOM 1622 O LEU A 98 -1.377 -1.323 -12.072 1.00 0.00 O ATOM 1623 CB LEU A 98 -3.384 -3.642 -11.787 1.00 0.00 C ATOM 1624 CG LEU A 98 -3.879 -4.778 -12.683 1.00 0.00 C ATOM 1625 CD1 LEU A 98 -3.511 -4.476 -14.136 1.00 0.00 C ATOM 1626 CD2 LEU A 98 -3.220 -6.088 -12.252 1.00 0.00 C ATOM 0 H LEU A 98 -1.438 -2.688 -9.881 1.00 0.00 H new ATOM 0 HA LEU A 98 -1.467 -4.568 -12.195 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -3.790 -3.755 -10.782 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -3.738 -2.684 -12.168 1.00 0.00 H new ATOM 0 HG LEU A 98 -4.962 -4.869 -12.593 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -3.863 -5.285 -14.776 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -3.979 -3.541 -14.443 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -2.428 -4.387 -14.226 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -3.572 -6.899 -12.890 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -2.138 -5.998 -12.343 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -3.480 -6.302 -11.215 1.00 0.00 H new ATOM 1638 N ARG A 99 -0.812 -2.704 -13.700 1.00 0.00 N ATOM 1639 CA ARG A 99 -0.283 -1.600 -14.545 1.00 0.00 C ATOM 1640 C ARG A 99 -0.745 -1.810 -15.990 1.00 0.00 C ATOM 1641 O ARG A 99 -0.632 -2.890 -16.540 1.00 0.00 O ATOM 1642 CB ARG A 99 1.247 -1.600 -14.494 1.00 0.00 C ATOM 1643 CG ARG A 99 1.790 -0.645 -15.558 1.00 0.00 C ATOM 1644 CD ARG A 99 2.152 -1.435 -16.817 1.00 0.00 C ATOM 1645 NE ARG A 99 3.634 -1.476 -16.969 1.00 0.00 N ATOM 1646 CZ ARG A 99 4.330 -0.377 -16.865 1.00 0.00 C ATOM 1647 NH1 ARG A 99 3.958 0.697 -17.508 1.00 0.00 N ATOM 1648 NH2 ARG A 99 5.400 -0.353 -16.118 1.00 0.00 N ATOM 0 H ARG A 99 -0.743 -3.633 -14.115 1.00 0.00 H new ATOM 0 HA ARG A 99 -0.655 -0.645 -14.173 1.00 0.00 H new ATOM 0 HB2 ARG A 99 1.589 -1.293 -13.506 1.00 0.00 H new ATOM 0 HB3 ARG A 99 1.628 -2.607 -14.665 1.00 0.00 H new ATOM 0 HG2 ARG A 99 1.045 0.115 -15.794 1.00 0.00 H new ATOM 0 HG3 ARG A 99 2.668 -0.123 -15.179 1.00 0.00 H new ATOM 0 HD2 ARG A 99 1.754 -2.448 -16.751 1.00 0.00 H new ATOM 0 HD3 ARG A 99 1.699 -0.971 -17.693 1.00 0.00 H new ATOM 0 HE ARG A 99 4.104 -2.362 -17.154 1.00 0.00 H new ATOM 0 HH11 ARG A 99 3.122 0.678 -18.093 1.00 0.00 H new ATOM 0 HH12 ARG A 99 4.503 1.555 -17.426 1.00 0.00 H new ATOM 0 HH21 ARG A 99 5.691 -1.192 -15.617 1.00 0.00 H new ATOM 0 HH22 ARG A 99 5.945 0.505 -16.036 1.00 0.00 H new ATOM 1662 N ARG A 100 -1.266 -0.788 -16.610 1.00 0.00 N ATOM 1663 CA ARG A 100 -1.732 -0.929 -18.018 1.00 0.00 C ATOM 1664 C ARG A 100 -0.597 -0.539 -18.969 1.00 0.00 C ATOM 1665 O ARG A 100 0.235 0.286 -18.651 1.00 0.00 O ATOM 1666 CB ARG A 100 -2.934 -0.013 -18.254 1.00 0.00 C ATOM 1667 CG ARG A 100 -3.923 -0.699 -19.197 1.00 0.00 C ATOM 1668 CD ARG A 100 -4.517 0.335 -20.155 1.00 0.00 C ATOM 1669 NE ARG A 100 -5.810 -0.170 -20.694 1.00 0.00 N ATOM 1670 CZ ARG A 100 -6.936 0.243 -20.180 1.00 0.00 C ATOM 1671 NH1 ARG A 100 -7.456 1.373 -20.573 1.00 0.00 N ATOM 1672 NH2 ARG A 100 -7.543 -0.476 -19.275 1.00 0.00 N ATOM 0 H ARG A 100 -1.389 0.139 -16.203 1.00 0.00 H new ATOM 0 HA ARG A 100 -2.024 -1.963 -18.203 1.00 0.00 H new ATOM 0 HB2 ARG A 100 -3.420 0.218 -17.306 1.00 0.00 H new ATOM 0 HB3 ARG A 100 -2.604 0.934 -18.682 1.00 0.00 H new ATOM 0 HG2 ARG A 100 -3.419 -1.485 -19.760 1.00 0.00 H new ATOM 0 HG3 ARG A 100 -4.717 -1.177 -18.623 1.00 0.00 H new ATOM 0 HD2 ARG A 100 -4.672 1.280 -19.635 1.00 0.00 H new ATOM 0 HD3 ARG A 100 -3.822 0.531 -20.972 1.00 0.00 H new ATOM 0 HE ARG A 100 -5.815 -0.838 -21.465 1.00 0.00 H new ATOM 0 HH11 ARG A 100 -6.982 1.933 -21.282 1.00 0.00 H new ATOM 0 HH12 ARG A 100 -8.336 1.696 -20.172 1.00 0.00 H new ATOM 0 HH21 ARG A 100 -7.137 -1.361 -18.970 1.00 0.00 H new ATOM 0 HH22 ARG A 100 -8.423 -0.153 -18.873 1.00 0.00 H new