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= -0.259 X(o=-0.26,f=-0.5) USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 HIS : no HE2:sc= -5.72! C(o=-5.7!,f=-11!) USER MOD Single : A 59 CYS SG : rot 180:sc= -2.05! USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 THR OG1 : rot -170:sc= -0.367 USER MOD Single : A 95 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 537 N GLY A 33 4.526 -9.529 -15.794 1.00 0.00 N ATOM 538 CA GLY A 33 4.807 -9.284 -17.238 1.00 0.00 C ATOM 539 C GLY A 33 3.815 -10.071 -18.095 1.00 0.00 C ATOM 540 O GLY A 33 4.076 -10.372 -19.243 1.00 0.00 O ATOM 0 HA2 GLY A 33 4.729 -8.219 -17.458 1.00 0.00 H new ATOM 0 HA3 GLY A 33 5.827 -9.585 -17.476 1.00 0.00 H new ATOM 544 N SER A 34 2.678 -10.407 -17.550 1.00 0.00 N ATOM 545 CA SER A 34 1.674 -11.173 -18.339 1.00 0.00 C ATOM 546 C SER A 34 0.422 -10.318 -18.541 1.00 0.00 C ATOM 547 O SER A 34 0.158 -9.398 -17.792 1.00 0.00 O ATOM 548 CB SER A 34 1.305 -12.453 -17.588 1.00 0.00 C ATOM 549 OG SER A 34 0.628 -12.112 -16.385 1.00 0.00 O ATOM 0 H SER A 34 2.402 -10.184 -16.594 1.00 0.00 H new ATOM 0 HA SER A 34 2.095 -11.431 -19.310 1.00 0.00 H new ATOM 0 HB2 SER A 34 0.670 -13.083 -18.210 1.00 0.00 H new ATOM 0 HB3 SER A 34 2.203 -13.028 -17.363 1.00 0.00 H new ATOM 0 HG SER A 34 0.388 -12.930 -15.901 1.00 0.00 H new ATOM 555 N VAL A 35 -0.353 -10.616 -19.549 1.00 0.00 N ATOM 556 CA VAL A 35 -1.589 -9.824 -19.801 1.00 0.00 C ATOM 557 C VAL A 35 -2.807 -10.614 -19.323 1.00 0.00 C ATOM 558 O VAL A 35 -2.811 -11.829 -19.328 1.00 0.00 O ATOM 559 CB VAL A 35 -1.718 -9.547 -21.300 1.00 0.00 C ATOM 560 CG1 VAL A 35 -0.416 -8.935 -21.821 1.00 0.00 C ATOM 561 CG2 VAL A 35 -1.994 -10.859 -22.039 1.00 0.00 C ATOM 0 H VAL A 35 -0.182 -11.375 -20.209 1.00 0.00 H new ATOM 0 HA VAL A 35 -1.533 -8.880 -19.259 1.00 0.00 H new ATOM 0 HB VAL A 35 -2.540 -8.852 -21.471 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -0.508 -8.738 -22.889 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -0.217 -8.001 -21.295 1.00 0.00 H new ATOM 0 HG13 VAL A 35 0.406 -9.630 -21.650 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -2.086 -10.663 -23.107 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -1.171 -11.553 -21.867 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -2.921 -11.297 -21.669 1.00 0.00 H new ATOM 571 N HIS A 36 -3.842 -9.937 -18.907 1.00 0.00 N ATOM 572 CA HIS A 36 -5.056 -10.657 -18.426 1.00 0.00 C ATOM 573 C HIS A 36 -6.279 -9.747 -18.551 1.00 0.00 C ATOM 574 O HIS A 36 -6.161 -8.546 -18.694 1.00 0.00 O ATOM 575 CB HIS A 36 -4.865 -11.047 -16.958 1.00 0.00 C ATOM 576 CG HIS A 36 -4.406 -12.477 -16.871 1.00 0.00 C ATOM 577 ND1 HIS A 36 -5.094 -13.513 -17.481 1.00 0.00 N ATOM 578 CD2 HIS A 36 -3.330 -13.057 -16.246 1.00 0.00 C ATOM 579 CE1 HIS A 36 -4.432 -14.653 -17.213 1.00 0.00 C ATOM 580 NE2 HIS A 36 -3.348 -14.432 -16.464 1.00 0.00 N ATOM 0 H HIS A 36 -3.900 -8.919 -18.879 1.00 0.00 H new ATOM 0 HA HIS A 36 -5.208 -11.552 -19.029 1.00 0.00 H new ATOM 0 HB2 HIS A 36 -4.132 -10.390 -16.489 1.00 0.00 H new ATOM 0 HB3 HIS A 36 -5.801 -10.921 -16.413 1.00 0.00 H new ATOM 0 HD2 HIS A 36 -2.583 -12.527 -15.673 1.00 0.00 H new ATOM 0 HE1 HIS A 36 -4.739 -15.628 -17.561 1.00 0.00 H new ATOM 0 HE2 HIS A 36 -2.678 -15.122 -16.125 1.00 0.00 H new ATOM 588 N GLU A 37 -7.455 -10.309 -18.487 1.00 0.00 N ATOM 589 CA GLU A 37 -8.686 -9.473 -18.590 1.00 0.00 C ATOM 590 C GLU A 37 -9.312 -9.336 -17.201 1.00 0.00 C ATOM 591 O GLU A 37 -9.392 -10.288 -16.449 1.00 0.00 O ATOM 592 CB GLU A 37 -9.698 -10.121 -19.547 1.00 0.00 C ATOM 593 CG GLU A 37 -9.399 -11.614 -19.706 1.00 0.00 C ATOM 594 CD GLU A 37 -10.276 -12.193 -20.817 1.00 0.00 C ATOM 595 OE1 GLU A 37 -10.323 -11.594 -21.879 1.00 0.00 O ATOM 596 OE2 GLU A 37 -10.885 -13.225 -20.588 1.00 0.00 O ATOM 0 H GLU A 37 -7.617 -11.309 -18.368 1.00 0.00 H new ATOM 0 HA GLU A 37 -8.419 -8.491 -18.980 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -10.709 -9.985 -19.164 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -9.656 -9.629 -20.519 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -8.346 -11.762 -19.945 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -9.589 -12.136 -18.768 1.00 0.00 H new ATOM 603 N GLY A 38 -9.749 -8.158 -16.850 1.00 0.00 N ATOM 604 CA GLY A 38 -10.357 -7.960 -15.505 1.00 0.00 C ATOM 605 C GLY A 38 -11.408 -6.852 -15.574 1.00 0.00 C ATOM 606 O GLY A 38 -11.607 -6.233 -16.602 1.00 0.00 O ATOM 0 H GLY A 38 -9.711 -7.324 -17.437 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -10.814 -8.888 -15.162 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -9.585 -7.698 -14.781 1.00 0.00 H new ATOM 610 N ILE A 39 -12.082 -6.596 -14.486 1.00 0.00 N ATOM 611 CA ILE A 39 -13.119 -5.528 -14.485 1.00 0.00 C ATOM 612 C ILE A 39 -12.497 -4.244 -13.938 1.00 0.00 C ATOM 613 O ILE A 39 -11.551 -4.283 -13.174 1.00 0.00 O ATOM 614 CB ILE A 39 -14.290 -5.951 -13.593 1.00 0.00 C ATOM 615 CG1 ILE A 39 -14.639 -7.417 -13.865 1.00 0.00 C ATOM 616 CG2 ILE A 39 -15.506 -5.074 -13.896 1.00 0.00 C ATOM 617 CD1 ILE A 39 -15.341 -8.008 -12.641 1.00 0.00 C ATOM 0 H ILE A 39 -11.958 -7.081 -13.597 1.00 0.00 H new ATOM 0 HA ILE A 39 -13.485 -5.363 -15.498 1.00 0.00 H new ATOM 0 HB ILE A 39 -14.008 -5.833 -12.547 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -15.285 -7.492 -14.740 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -13.734 -7.983 -14.087 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -16.339 -5.375 -13.261 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -15.260 -4.030 -13.700 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -15.787 -5.191 -14.943 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -15.590 -9.052 -12.833 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -14.680 -7.946 -11.777 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -16.254 -7.448 -12.440 1.00 0.00 H new ATOM 629 N VAL A 40 -12.997 -3.106 -14.335 1.00 0.00 N ATOM 630 CA VAL A 40 -12.404 -1.829 -13.846 1.00 0.00 C ATOM 631 C VAL A 40 -13.236 -1.251 -12.700 1.00 0.00 C ATOM 632 O VAL A 40 -14.440 -1.404 -12.649 1.00 0.00 O ATOM 633 CB VAL A 40 -12.354 -0.822 -14.998 1.00 0.00 C ATOM 634 CG1 VAL A 40 -11.764 0.497 -14.499 1.00 0.00 C ATOM 635 CG2 VAL A 40 -11.476 -1.376 -16.121 1.00 0.00 C ATOM 0 H VAL A 40 -13.786 -3.005 -14.973 1.00 0.00 H new ATOM 0 HA VAL A 40 -11.397 -2.027 -13.479 1.00 0.00 H new ATOM 0 HB VAL A 40 -13.363 -0.651 -15.373 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -11.729 1.213 -15.320 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -12.387 0.894 -13.697 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -10.755 0.325 -14.124 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -11.440 -0.660 -16.942 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -10.468 -1.547 -15.744 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -11.894 -2.317 -16.479 1.00 0.00 H new ATOM 645 N TYR A 41 -12.595 -0.577 -11.784 1.00 0.00 N ATOM 646 CA TYR A 41 -13.330 0.028 -10.638 1.00 0.00 C ATOM 647 C TYR A 41 -12.696 1.381 -10.304 1.00 0.00 C ATOM 648 O TYR A 41 -11.599 1.682 -10.732 1.00 0.00 O ATOM 649 CB TYR A 41 -13.238 -0.896 -9.422 1.00 0.00 C ATOM 650 CG TYR A 41 -14.049 -0.318 -8.287 1.00 0.00 C ATOM 651 CD1 TYR A 41 -15.420 -0.077 -8.458 1.00 0.00 C ATOM 652 CD2 TYR A 41 -13.433 -0.022 -7.065 1.00 0.00 C ATOM 653 CE1 TYR A 41 -16.173 0.460 -7.406 1.00 0.00 C ATOM 654 CE2 TYR A 41 -14.186 0.516 -6.012 1.00 0.00 C ATOM 655 CZ TYR A 41 -15.556 0.757 -6.183 1.00 0.00 C ATOM 656 OH TYR A 41 -16.299 1.286 -5.147 1.00 0.00 O ATOM 0 H TYR A 41 -11.587 -0.419 -11.781 1.00 0.00 H new ATOM 0 HA TYR A 41 -14.379 0.165 -10.902 1.00 0.00 H new ATOM 0 HB2 TYR A 41 -13.607 -1.889 -9.678 1.00 0.00 H new ATOM 0 HB3 TYR A 41 -12.198 -1.011 -9.118 1.00 0.00 H new ATOM 0 HD1 TYR A 41 -15.895 -0.305 -9.401 1.00 0.00 H new ATOM 0 HD2 TYR A 41 -12.377 -0.208 -6.934 1.00 0.00 H new ATOM 0 HE1 TYR A 41 -17.229 0.645 -7.537 1.00 0.00 H new ATOM 0 HE2 TYR A 41 -13.711 0.745 -5.070 1.00 0.00 H new ATOM 0 HH TYR A 41 -15.720 1.432 -4.370 1.00 0.00 H new ATOM 666 N PHE A 42 -13.371 2.201 -9.547 1.00 0.00 N ATOM 667 CA PHE A 42 -12.794 3.532 -9.200 1.00 0.00 C ATOM 668 C PHE A 42 -12.794 3.719 -7.681 1.00 0.00 C ATOM 669 O PHE A 42 -13.768 3.439 -7.011 1.00 0.00 O ATOM 670 CB PHE A 42 -13.632 4.635 -9.847 1.00 0.00 C ATOM 671 CG PHE A 42 -12.826 5.910 -9.902 1.00 0.00 C ATOM 672 CD1 PHE A 42 -12.830 6.790 -8.812 1.00 0.00 C ATOM 673 CD2 PHE A 42 -12.073 6.215 -11.044 1.00 0.00 C ATOM 674 CE1 PHE A 42 -12.082 7.973 -8.862 1.00 0.00 C ATOM 675 CE2 PHE A 42 -11.324 7.399 -11.094 1.00 0.00 C ATOM 676 CZ PHE A 42 -11.329 8.277 -10.004 1.00 0.00 C ATOM 0 H PHE A 42 -14.293 2.009 -9.155 1.00 0.00 H new ATOM 0 HA PHE A 42 -11.770 3.585 -9.569 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -13.931 4.337 -10.852 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -14.547 4.794 -9.276 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -13.411 6.556 -7.932 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -12.070 5.538 -11.885 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -12.086 8.651 -8.021 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -10.743 7.634 -11.974 1.00 0.00 H new ATOM 0 HZ PHE A 42 -10.752 9.189 -10.043 1.00 0.00 H new ATOM 727 N ILE A 46 -7.553 6.576 -7.868 1.00 0.00 N ATOM 728 CA ILE A 46 -6.911 5.684 -8.875 1.00 0.00 C ATOM 729 C ILE A 46 -7.942 4.670 -9.377 1.00 0.00 C ATOM 730 O ILE A 46 -9.129 4.833 -9.180 1.00 0.00 O ATOM 731 CB ILE A 46 -5.740 4.947 -8.223 1.00 0.00 C ATOM 732 CG1 ILE A 46 -6.235 4.205 -6.978 1.00 0.00 C ATOM 733 CG2 ILE A 46 -4.666 5.958 -7.817 1.00 0.00 C ATOM 734 CD1 ILE A 46 -5.603 2.812 -6.929 1.00 0.00 C ATOM 0 HA ILE A 46 -6.544 6.276 -9.714 1.00 0.00 H new ATOM 0 HB ILE A 46 -5.320 4.232 -8.931 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -5.975 4.766 -6.080 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -7.322 4.122 -6.999 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -3.831 5.434 -7.352 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -4.314 6.490 -8.701 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -5.087 6.671 -7.108 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -5.955 2.284 -6.043 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -5.885 2.253 -7.821 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -4.518 2.906 -6.888 1.00 0.00 H new ATOM 746 N PHE A 47 -7.502 3.625 -10.023 1.00 0.00 N ATOM 747 CA PHE A 47 -8.469 2.612 -10.530 1.00 0.00 C ATOM 748 C PHE A 47 -8.259 1.293 -9.786 1.00 0.00 C ATOM 749 O PHE A 47 -7.340 1.149 -9.005 1.00 0.00 O ATOM 750 CB PHE A 47 -8.246 2.397 -12.028 1.00 0.00 C ATOM 751 CG PHE A 47 -8.883 3.529 -12.798 1.00 0.00 C ATOM 752 CD1 PHE A 47 -10.222 3.436 -13.201 1.00 0.00 C ATOM 753 CD2 PHE A 47 -8.136 4.672 -13.109 1.00 0.00 C ATOM 754 CE1 PHE A 47 -10.813 4.487 -13.915 1.00 0.00 C ATOM 755 CE2 PHE A 47 -8.726 5.723 -13.824 1.00 0.00 C ATOM 756 CZ PHE A 47 -10.065 5.630 -14.226 1.00 0.00 C ATOM 0 H PHE A 47 -6.521 3.430 -10.221 1.00 0.00 H new ATOM 0 HA PHE A 47 -9.487 2.965 -10.364 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -7.179 2.350 -12.245 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -8.676 1.445 -12.338 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -10.798 2.555 -12.961 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -7.104 4.744 -12.798 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -11.845 4.416 -14.225 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -8.149 6.604 -14.065 1.00 0.00 H new ATOM 0 HZ PHE A 47 -10.521 6.440 -14.776 1.00 0.00 H new ATOM 766 N LYS A 48 -9.106 0.330 -10.020 1.00 0.00 N ATOM 767 CA LYS A 48 -8.955 -0.979 -9.326 1.00 0.00 C ATOM 768 C LYS A 48 -9.359 -2.106 -10.276 1.00 0.00 C ATOM 769 O LYS A 48 -10.384 -2.048 -10.927 1.00 0.00 O ATOM 770 CB LYS A 48 -9.853 -1.005 -8.087 1.00 0.00 C ATOM 771 CG LYS A 48 -8.992 -1.195 -6.838 1.00 0.00 C ATOM 772 CD LYS A 48 -9.698 -0.579 -5.630 1.00 0.00 C ATOM 773 CE LYS A 48 -10.148 -1.691 -4.680 1.00 0.00 C ATOM 774 NZ LYS A 48 -9.271 -1.699 -3.476 1.00 0.00 N ATOM 0 H LYS A 48 -9.896 0.393 -10.662 1.00 0.00 H new ATOM 0 HA LYS A 48 -7.917 -1.115 -9.023 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -10.418 -0.076 -8.014 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -10.579 -1.814 -8.168 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -8.813 -2.256 -6.665 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -8.018 -0.727 -6.981 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -9.026 0.106 -5.113 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -10.558 0.005 -5.957 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -11.186 -1.535 -4.386 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -10.101 -2.656 -5.184 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -9.576 -2.454 -2.829 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -8.286 -1.867 -3.765 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -9.338 -0.781 -2.992 1.00 0.00 H new ATOM 788 N VAL A 49 -8.558 -3.133 -10.366 1.00 0.00 N ATOM 789 CA VAL A 49 -8.893 -4.262 -11.277 1.00 0.00 C ATOM 790 C VAL A 49 -9.394 -5.451 -10.457 1.00 0.00 C ATOM 791 O VAL A 49 -8.664 -6.030 -9.679 1.00 0.00 O ATOM 792 CB VAL A 49 -7.643 -4.676 -12.055 1.00 0.00 C ATOM 793 CG1 VAL A 49 -8.002 -5.776 -13.056 1.00 0.00 C ATOM 794 CG2 VAL A 49 -7.088 -3.465 -12.807 1.00 0.00 C ATOM 0 H VAL A 49 -7.686 -3.238 -9.847 1.00 0.00 H new ATOM 0 HA VAL A 49 -9.670 -3.946 -11.973 1.00 0.00 H new ATOM 0 HB VAL A 49 -6.891 -5.051 -11.360 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -7.110 -6.070 -13.609 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -8.398 -6.639 -12.521 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -8.754 -5.404 -13.751 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -6.197 -3.758 -13.362 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -7.841 -3.091 -13.501 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -6.830 -2.681 -12.095 1.00 0.00 H new ATOM 804 N ARG A 50 -10.632 -5.824 -10.627 1.00 0.00 N ATOM 805 CA ARG A 50 -11.169 -6.982 -9.859 1.00 0.00 C ATOM 806 C ARG A 50 -11.133 -8.230 -10.742 1.00 0.00 C ATOM 807 O ARG A 50 -11.577 -8.213 -11.872 1.00 0.00 O ATOM 808 CB ARG A 50 -12.612 -6.696 -9.438 1.00 0.00 C ATOM 809 CG ARG A 50 -13.262 -7.987 -8.934 1.00 0.00 C ATOM 810 CD ARG A 50 -14.199 -7.667 -7.769 1.00 0.00 C ATOM 811 NE ARG A 50 -14.927 -8.902 -7.364 1.00 0.00 N ATOM 812 CZ ARG A 50 -16.231 -8.923 -7.371 1.00 0.00 C ATOM 813 NH1 ARG A 50 -16.888 -8.285 -8.302 1.00 0.00 N ATOM 814 NH2 ARG A 50 -16.879 -9.580 -6.450 1.00 0.00 N ATOM 0 H ARG A 50 -11.294 -5.378 -11.263 1.00 0.00 H new ATOM 0 HA ARG A 50 -10.561 -7.143 -8.969 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -12.630 -5.938 -8.655 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -13.176 -6.297 -10.281 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -13.818 -8.465 -9.740 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -12.495 -8.692 -8.614 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -13.629 -7.275 -6.927 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -14.909 -6.893 -8.061 1.00 0.00 H new ATOM 0 HE ARG A 50 -14.405 -9.732 -7.081 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -16.381 -7.771 -9.023 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -17.908 -8.301 -8.308 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -16.366 -10.078 -5.723 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -17.899 -9.596 -6.457 1.00 0.00 H new ATOM 828 N LEU A 51 -10.602 -9.312 -10.240 1.00 0.00 N ATOM 829 CA LEU A 51 -10.541 -10.552 -11.064 1.00 0.00 C ATOM 830 C LEU A 51 -11.730 -11.452 -10.727 1.00 0.00 C ATOM 831 O LEU A 51 -11.694 -12.223 -9.789 1.00 0.00 O ATOM 832 CB LEU A 51 -9.236 -11.295 -10.773 1.00 0.00 C ATOM 833 CG LEU A 51 -8.251 -11.062 -11.920 1.00 0.00 C ATOM 834 CD1 LEU A 51 -8.854 -11.584 -13.225 1.00 0.00 C ATOM 835 CD2 LEU A 51 -7.972 -9.562 -12.053 1.00 0.00 C ATOM 0 H LEU A 51 -10.210 -9.391 -9.301 1.00 0.00 H new ATOM 0 HA LEU A 51 -10.579 -10.286 -12.120 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -8.807 -10.945 -9.834 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -9.430 -12.361 -10.657 1.00 0.00 H new ATOM 0 HG LEU A 51 -7.320 -11.590 -11.713 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -8.152 -11.418 -14.042 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -9.056 -12.651 -13.131 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -9.784 -11.056 -13.433 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -7.270 -9.393 -12.870 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -8.904 -9.036 -12.261 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -7.543 -9.188 -11.123 1.00 0.00 H new ATOM 847 N LEU A 52 -12.788 -11.359 -11.487 1.00 0.00 N ATOM 848 CA LEU A 52 -13.981 -12.208 -11.214 1.00 0.00 C ATOM 849 C LEU A 52 -13.652 -13.666 -11.536 1.00 0.00 C ATOM 850 O LEU A 52 -12.908 -13.957 -12.451 1.00 0.00 O ATOM 851 CB LEU A 52 -15.147 -11.744 -12.090 1.00 0.00 C ATOM 852 CG LEU A 52 -16.257 -11.179 -11.204 1.00 0.00 C ATOM 853 CD1 LEU A 52 -16.892 -12.311 -10.394 1.00 0.00 C ATOM 854 CD2 LEU A 52 -15.665 -10.140 -10.250 1.00 0.00 C ATOM 0 H LEU A 52 -12.877 -10.731 -12.286 1.00 0.00 H new ATOM 0 HA LEU A 52 -14.257 -12.121 -10.163 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -14.807 -10.984 -12.794 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -15.527 -12.578 -12.680 1.00 0.00 H new ATOM 0 HG LEU A 52 -17.017 -10.710 -11.829 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -17.683 -11.907 -9.763 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -17.313 -13.053 -11.073 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -16.133 -12.781 -9.768 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -16.455 -9.736 -9.617 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -14.905 -10.610 -9.626 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -15.213 -9.333 -10.826 1.00 0.00 H new ATOM 866 N GLY A 53 -14.200 -14.586 -10.791 1.00 0.00 N ATOM 867 CA GLY A 53 -13.917 -16.025 -11.056 1.00 0.00 C ATOM 868 C GLY A 53 -13.012 -16.577 -9.954 1.00 0.00 C ATOM 869 O GLY A 53 -13.185 -17.688 -9.494 1.00 0.00 O ATOM 0 H GLY A 53 -14.831 -14.404 -10.011 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -14.849 -16.589 -11.093 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -13.436 -16.139 -12.028 1.00 0.00 H new ATOM 873 N TYR A 54 -12.049 -15.808 -9.523 1.00 0.00 N ATOM 874 CA TYR A 54 -11.138 -16.290 -8.449 1.00 0.00 C ATOM 875 C TYR A 54 -11.793 -16.055 -7.088 1.00 0.00 C ATOM 876 O TYR A 54 -11.534 -16.761 -6.132 1.00 0.00 O ATOM 877 CB TYR A 54 -9.814 -15.529 -8.520 1.00 0.00 C ATOM 878 CG TYR A 54 -8.692 -16.502 -8.791 1.00 0.00 C ATOM 879 CD1 TYR A 54 -8.333 -17.445 -7.819 1.00 0.00 C ATOM 880 CD2 TYR A 54 -8.010 -16.463 -10.015 1.00 0.00 C ATOM 881 CE1 TYR A 54 -7.293 -18.350 -8.071 1.00 0.00 C ATOM 882 CE2 TYR A 54 -6.969 -17.367 -10.267 1.00 0.00 C ATOM 883 CZ TYR A 54 -6.612 -18.311 -9.294 1.00 0.00 C ATOM 884 OH TYR A 54 -5.587 -19.202 -9.542 1.00 0.00 O ATOM 0 H TYR A 54 -11.855 -14.868 -9.868 1.00 0.00 H new ATOM 0 HA TYR A 54 -10.948 -17.355 -8.583 1.00 0.00 H new ATOM 0 HB2 TYR A 54 -9.856 -14.776 -9.307 1.00 0.00 H new ATOM 0 HB3 TYR A 54 -9.634 -15.001 -7.584 1.00 0.00 H new ATOM 0 HD1 TYR A 54 -8.858 -17.475 -6.875 1.00 0.00 H new ATOM 0 HD2 TYR A 54 -8.287 -15.736 -10.764 1.00 0.00 H new ATOM 0 HE1 TYR A 54 -7.017 -19.077 -7.322 1.00 0.00 H new ATOM 0 HE2 TYR A 54 -6.443 -17.336 -11.210 1.00 0.00 H new ATOM 0 HH TYR A 54 -5.222 -19.040 -10.437 1.00 0.00 H new ATOM 894 N GLU A 55 -12.642 -15.070 -6.991 1.00 0.00 N ATOM 895 CA GLU A 55 -13.316 -14.789 -5.694 1.00 0.00 C ATOM 896 C GLU A 55 -12.264 -14.524 -4.614 1.00 0.00 C ATOM 897 O GLU A 55 -11.732 -15.438 -4.015 1.00 0.00 O ATOM 898 CB GLU A 55 -14.165 -15.997 -5.291 1.00 0.00 C ATOM 899 CG GLU A 55 -15.524 -15.923 -5.990 1.00 0.00 C ATOM 900 CD GLU A 55 -16.448 -17.006 -5.430 1.00 0.00 C ATOM 901 OE1 GLU A 55 -15.957 -18.087 -5.146 1.00 0.00 O ATOM 902 OE2 GLU A 55 -17.629 -16.737 -5.293 1.00 0.00 O ATOM 0 H GLU A 55 -12.898 -14.446 -7.756 1.00 0.00 H new ATOM 0 HA GLU A 55 -13.954 -13.912 -5.800 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -13.654 -16.921 -5.563 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -14.301 -16.015 -4.210 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -15.968 -14.939 -5.841 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -15.399 -16.057 -7.065 1.00 0.00 H new ATOM 909 N GLY A 56 -11.961 -13.280 -4.361 1.00 0.00 N ATOM 910 CA GLY A 56 -10.945 -12.959 -3.317 1.00 0.00 C ATOM 911 C GLY A 56 -9.685 -12.398 -3.979 1.00 0.00 C ATOM 912 O GLY A 56 -8.659 -12.239 -3.347 1.00 0.00 O ATOM 0 H GLY A 56 -12.372 -12.473 -4.831 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -11.351 -12.234 -2.612 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -10.700 -13.855 -2.747 1.00 0.00 H new ATOM 916 N HIS A 57 -9.751 -12.095 -5.247 1.00 0.00 N ATOM 917 CA HIS A 57 -8.554 -11.544 -5.944 1.00 0.00 C ATOM 918 C HIS A 57 -8.790 -10.069 -6.279 1.00 0.00 C ATOM 919 O HIS A 57 -9.405 -9.740 -7.278 1.00 0.00 O ATOM 920 CB HIS A 57 -8.309 -12.330 -7.233 1.00 0.00 C ATOM 921 CG HIS A 57 -6.965 -11.960 -7.801 1.00 0.00 C ATOM 922 ND1 HIS A 57 -6.635 -12.187 -9.127 1.00 0.00 N ATOM 923 CD2 HIS A 57 -5.857 -11.379 -7.234 1.00 0.00 C ATOM 924 CE1 HIS A 57 -5.377 -11.749 -9.313 1.00 0.00 C ATOM 925 NE2 HIS A 57 -4.856 -11.247 -8.191 1.00 0.00 N ATOM 0 H HIS A 57 -10.581 -12.205 -5.830 1.00 0.00 H new ATOM 0 HA HIS A 57 -7.683 -11.631 -5.295 1.00 0.00 H new ATOM 0 HB2 HIS A 57 -8.348 -13.400 -7.031 1.00 0.00 H new ATOM 0 HB3 HIS A 57 -9.094 -12.114 -7.958 1.00 0.00 H new ATOM 0 HD1 HIS A 57 -7.237 -12.610 -9.834 1.00 0.00 H new ATOM 0 HD2 HIS A 57 -5.775 -11.071 -6.202 1.00 0.00 H new ATOM 0 HE1 HIS A 57 -4.852 -11.798 -10.256 1.00 0.00 H new ATOM 933 N GLU A 58 -8.306 -9.179 -5.456 1.00 0.00 N ATOM 934 CA GLU A 58 -8.502 -7.727 -5.728 1.00 0.00 C ATOM 935 C GLU A 58 -7.169 -7.099 -6.138 1.00 0.00 C ATOM 936 O GLU A 58 -6.154 -7.294 -5.497 1.00 0.00 O ATOM 937 CB GLU A 58 -9.027 -7.036 -4.468 1.00 0.00 C ATOM 938 CG GLU A 58 -9.437 -5.601 -4.805 1.00 0.00 C ATOM 939 CD GLU A 58 -10.954 -5.535 -4.995 1.00 0.00 C ATOM 940 OE1 GLU A 58 -11.632 -6.421 -4.502 1.00 0.00 O ATOM 941 OE2 GLU A 58 -11.411 -4.598 -5.629 1.00 0.00 O ATOM 0 H GLU A 58 -7.783 -9.395 -4.607 1.00 0.00 H new ATOM 0 HA GLU A 58 -9.224 -7.604 -6.535 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -9.880 -7.585 -4.068 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -8.259 -7.034 -3.695 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -9.130 -4.927 -4.006 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -8.931 -5.271 -5.712 1.00 0.00 H new ATOM 948 N CYS A 59 -7.164 -6.348 -7.203 1.00 0.00 N ATOM 949 CA CYS A 59 -5.898 -5.709 -7.657 1.00 0.00 C ATOM 950 C CYS A 59 -6.104 -4.199 -7.773 1.00 0.00 C ATOM 951 O CYS A 59 -7.218 -3.715 -7.820 1.00 0.00 O ATOM 952 CB CYS A 59 -5.501 -6.275 -9.022 1.00 0.00 C ATOM 953 SG CYS A 59 -5.866 -8.047 -9.071 1.00 0.00 S ATOM 0 H CYS A 59 -7.982 -6.149 -7.779 1.00 0.00 H new ATOM 0 HA CYS A 59 -5.108 -5.915 -6.935 1.00 0.00 H new ATOM 0 HB2 CYS A 59 -6.045 -5.759 -9.813 1.00 0.00 H new ATOM 0 HB3 CYS A 59 -4.439 -6.107 -9.202 1.00 0.00 H new ATOM 0 HG CYS A 59 -5.530 -8.527 -10.231 1.00 0.00 H new ATOM 959 N ILE A 60 -5.038 -3.450 -7.822 1.00 0.00 N ATOM 960 CA ILE A 60 -5.172 -1.971 -7.939 1.00 0.00 C ATOM 961 C ILE A 60 -4.576 -1.514 -9.269 1.00 0.00 C ATOM 962 O ILE A 60 -3.468 -1.872 -9.618 1.00 0.00 O ATOM 963 CB ILE A 60 -4.426 -1.297 -6.787 1.00 0.00 C ATOM 964 CG1 ILE A 60 -3.154 -2.088 -6.476 1.00 0.00 C ATOM 965 CG2 ILE A 60 -5.320 -1.261 -5.546 1.00 0.00 C ATOM 966 CD1 ILE A 60 -2.179 -1.204 -5.696 1.00 0.00 C ATOM 0 H ILE A 60 -4.080 -3.798 -7.786 1.00 0.00 H new ATOM 0 HA ILE A 60 -6.226 -1.696 -7.897 1.00 0.00 H new ATOM 0 HB ILE A 60 -4.163 -0.278 -7.072 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -3.399 -2.977 -5.895 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -2.691 -2.430 -7.401 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -4.786 -0.780 -4.727 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -6.227 -0.699 -5.767 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -5.585 -2.279 -5.259 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -1.273 -1.768 -5.475 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -1.924 -0.328 -6.293 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -2.644 -0.884 -4.763 1.00 0.00 H new ATOM 978 N LEU A 61 -5.300 -0.728 -10.017 1.00 0.00 N ATOM 979 CA LEU A 61 -4.769 -0.255 -11.323 1.00 0.00 C ATOM 980 C LEU A 61 -4.214 1.161 -11.176 1.00 0.00 C ATOM 981 O LEU A 61 -4.928 2.095 -10.860 1.00 0.00 O ATOM 982 CB LEU A 61 -5.889 -0.257 -12.365 1.00 0.00 C ATOM 983 CG LEU A 61 -5.279 -0.130 -13.762 1.00 0.00 C ATOM 984 CD1 LEU A 61 -6.082 -0.979 -14.749 1.00 0.00 C ATOM 985 CD2 LEU A 61 -5.315 1.335 -14.203 1.00 0.00 C ATOM 0 H LEU A 61 -6.234 -0.394 -9.780 1.00 0.00 H new ATOM 0 HA LEU A 61 -3.970 -0.923 -11.646 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -6.469 -1.177 -12.291 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -6.576 0.569 -12.179 1.00 0.00 H new ATOM 0 HG LEU A 61 -4.246 -0.478 -13.740 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -5.647 -0.888 -15.744 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -6.057 -2.023 -14.436 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -7.115 -0.632 -14.771 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -4.880 1.426 -15.198 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -6.348 1.683 -14.225 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -4.743 1.941 -13.500 1.00 0.00 H new ATOM 997 N LEU A 62 -2.942 1.326 -11.414 1.00 0.00 N ATOM 998 CA LEU A 62 -2.323 2.675 -11.304 1.00 0.00 C ATOM 999 C LEU A 62 -1.463 2.932 -12.539 1.00 0.00 C ATOM 1000 O LEU A 62 -0.736 3.901 -12.610 1.00 0.00 O ATOM 1001 CB LEU A 62 -1.443 2.736 -10.054 1.00 0.00 C ATOM 1002 CG LEU A 62 -2.216 2.185 -8.856 1.00 0.00 C ATOM 1003 CD1 LEU A 62 -2.126 0.659 -8.850 1.00 0.00 C ATOM 1004 CD2 LEU A 62 -1.611 2.736 -7.562 1.00 0.00 C ATOM 0 H LEU A 62 -2.302 0.579 -11.682 1.00 0.00 H new ATOM 0 HA LEU A 62 -3.105 3.431 -11.233 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -0.532 2.158 -10.209 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -1.138 3.765 -9.861 1.00 0.00 H new ATOM 0 HG LEU A 62 -3.261 2.488 -8.927 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -2.677 0.265 -7.996 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -2.555 0.266 -9.771 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -1.081 0.356 -8.778 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -2.162 2.344 -6.707 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -0.566 2.433 -7.491 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -1.674 3.824 -7.566 1.00 0.00 H new ATOM 1324 N VAL A 80 -15.607 3.240 -16.271 1.00 0.00 N ATOM 1325 CA VAL A 80 -15.180 2.305 -15.186 1.00 0.00 C ATOM 1326 C VAL A 80 -16.060 1.054 -15.211 1.00 0.00 C ATOM 1327 O VAL A 80 -17.145 1.055 -15.758 1.00 0.00 O ATOM 1328 CB VAL A 80 -15.322 2.995 -13.828 1.00 0.00 C ATOM 1329 CG1 VAL A 80 -14.641 2.152 -12.748 1.00 0.00 C ATOM 1330 CG2 VAL A 80 -14.662 4.373 -13.884 1.00 0.00 C ATOM 0 HA VAL A 80 -14.139 2.023 -15.345 1.00 0.00 H new ATOM 0 HB VAL A 80 -16.380 3.105 -13.590 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -14.744 2.646 -11.782 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -15.110 1.169 -12.704 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -13.584 2.040 -12.987 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -14.763 4.865 -12.916 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -13.605 4.261 -14.125 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -15.147 4.978 -14.651 1.00 0.00 H new ATOM 1340 N GLY A 81 -15.600 -0.015 -14.623 1.00 0.00 N ATOM 1341 CA GLY A 81 -16.410 -1.266 -14.612 1.00 0.00 C ATOM 1342 C GLY A 81 -16.122 -2.080 -15.875 1.00 0.00 C ATOM 1343 O GLY A 81 -15.835 -3.260 -15.806 1.00 0.00 O ATOM 0 H GLY A 81 -14.699 -0.077 -14.150 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -16.173 -1.856 -13.726 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -17.471 -1.023 -14.559 1.00 0.00 H new ATOM 1347 N ARG A 82 -16.204 -1.459 -17.024 1.00 0.00 N ATOM 1348 CA ARG A 82 -15.949 -2.189 -18.303 1.00 0.00 C ATOM 1349 C ARG A 82 -14.806 -3.193 -18.123 1.00 0.00 C ATOM 1350 O ARG A 82 -13.974 -3.054 -17.249 1.00 0.00 O ATOM 1351 CB ARG A 82 -15.576 -1.184 -19.394 1.00 0.00 C ATOM 1352 CG ARG A 82 -16.849 -0.567 -19.977 1.00 0.00 C ATOM 1353 CD ARG A 82 -17.217 -1.286 -21.276 1.00 0.00 C ATOM 1354 NE ARG A 82 -18.545 -0.804 -21.753 1.00 0.00 N ATOM 1355 CZ ARG A 82 -19.535 -0.684 -20.911 1.00 0.00 C ATOM 1356 NH1 ARG A 82 -19.650 -1.518 -19.916 1.00 0.00 N ATOM 1357 NH2 ARG A 82 -20.411 0.272 -21.066 1.00 0.00 N ATOM 0 H ARG A 82 -16.438 -0.472 -17.132 1.00 0.00 H new ATOM 0 HA ARG A 82 -16.852 -2.729 -18.589 1.00 0.00 H new ATOM 0 HB2 ARG A 82 -14.937 -0.403 -18.981 1.00 0.00 H new ATOM 0 HB3 ARG A 82 -15.006 -1.679 -20.180 1.00 0.00 H new ATOM 0 HG2 ARG A 82 -17.666 -0.648 -19.260 1.00 0.00 H new ATOM 0 HG3 ARG A 82 -16.696 0.495 -20.168 1.00 0.00 H new ATOM 0 HD2 ARG A 82 -16.457 -1.100 -22.035 1.00 0.00 H new ATOM 0 HD3 ARG A 82 -17.247 -2.363 -21.112 1.00 0.00 H new ATOM 0 HE ARG A 82 -18.680 -0.568 -22.736 1.00 0.00 H new ATOM 0 HH11 ARG A 82 -18.966 -2.265 -19.795 1.00 0.00 H new ATOM 0 HH12 ARG A 82 -20.424 -1.424 -19.258 1.00 0.00 H new ATOM 0 HH21 ARG A 82 -20.321 0.925 -21.845 1.00 0.00 H new ATOM 0 HH22 ARG A 82 -21.185 0.366 -20.408 1.00 0.00 H new ATOM 1371 N VAL A 83 -14.764 -4.205 -18.948 1.00 0.00 N ATOM 1372 CA VAL A 83 -13.679 -5.221 -18.832 1.00 0.00 C ATOM 1373 C VAL A 83 -12.587 -4.906 -19.852 1.00 0.00 C ATOM 1374 O VAL A 83 -12.861 -4.627 -21.002 1.00 0.00 O ATOM 1375 CB VAL A 83 -14.252 -6.612 -19.113 1.00 0.00 C ATOM 1376 CG1 VAL A 83 -13.220 -7.677 -18.735 1.00 0.00 C ATOM 1377 CG2 VAL A 83 -15.521 -6.816 -18.282 1.00 0.00 C ATOM 0 H VAL A 83 -15.435 -4.372 -19.698 1.00 0.00 H new ATOM 0 HA VAL A 83 -13.260 -5.198 -17.826 1.00 0.00 H new ATOM 0 HB VAL A 83 -14.491 -6.699 -20.173 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -13.629 -8.667 -18.935 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -12.315 -7.532 -19.325 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -12.980 -7.591 -17.675 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -15.931 -7.806 -18.481 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -15.280 -6.729 -17.223 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -16.257 -6.058 -18.550 1.00 0.00 H new ATOM 1387 N ILE A 84 -11.347 -4.945 -19.444 1.00 0.00 N ATOM 1388 CA ILE A 84 -10.243 -4.640 -20.398 1.00 0.00 C ATOM 1389 C ILE A 84 -9.037 -5.536 -20.102 1.00 0.00 C ATOM 1390 O ILE A 84 -9.016 -6.271 -19.135 1.00 0.00 O ATOM 1391 CB ILE A 84 -9.829 -3.170 -20.256 1.00 0.00 C ATOM 1392 CG1 ILE A 84 -9.006 -2.984 -18.975 1.00 0.00 C ATOM 1393 CG2 ILE A 84 -11.074 -2.280 -20.202 1.00 0.00 C ATOM 1394 CD1 ILE A 84 -9.824 -3.421 -17.758 1.00 0.00 C ATOM 0 H ILE A 84 -11.052 -5.174 -18.495 1.00 0.00 H new ATOM 0 HA ILE A 84 -10.591 -4.825 -21.414 1.00 0.00 H new ATOM 0 HB ILE A 84 -9.224 -2.887 -21.117 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -8.088 -3.568 -19.035 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -8.713 -1.939 -18.870 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -10.772 -1.238 -20.101 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -11.650 -2.404 -21.119 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -11.688 -2.564 -19.347 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -9.231 -3.285 -16.853 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -10.729 -2.818 -17.692 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -10.095 -4.472 -17.860 1.00 0.00 H new ATOM 1406 N LYS A 85 -8.028 -5.468 -20.928 1.00 0.00 N ATOM 1407 CA LYS A 85 -6.815 -6.302 -20.698 1.00 0.00 C ATOM 1408 C LYS A 85 -5.694 -5.415 -20.153 1.00 0.00 C ATOM 1409 O LYS A 85 -5.338 -4.415 -20.743 1.00 0.00 O ATOM 1410 CB LYS A 85 -6.372 -6.935 -22.019 1.00 0.00 C ATOM 1411 CG LYS A 85 -5.163 -7.841 -21.772 1.00 0.00 C ATOM 1412 CD LYS A 85 -5.194 -9.015 -22.752 1.00 0.00 C ATOM 1413 CE LYS A 85 -6.524 -9.758 -22.616 1.00 0.00 C ATOM 1414 NZ LYS A 85 -6.271 -11.227 -22.579 1.00 0.00 N ATOM 0 H LYS A 85 -7.992 -4.870 -21.753 1.00 0.00 H new ATOM 0 HA LYS A 85 -7.041 -7.090 -19.980 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -7.190 -7.512 -22.450 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -6.116 -6.158 -22.739 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -4.240 -7.275 -21.896 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -5.175 -8.210 -20.746 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -5.070 -8.654 -23.773 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -4.364 -9.693 -22.551 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -7.037 -9.444 -21.707 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -7.178 -9.512 -23.453 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -7.175 -11.733 -22.487 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -5.799 -11.520 -23.458 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -5.663 -11.454 -21.767 1.00 0.00 H new ATOM 1428 N THR A 86 -5.139 -5.769 -19.027 1.00 0.00 N ATOM 1429 CA THR A 86 -4.048 -4.942 -18.439 1.00 0.00 C ATOM 1430 C THR A 86 -2.844 -5.832 -18.127 1.00 0.00 C ATOM 1431 O THR A 86 -2.897 -7.037 -18.279 1.00 0.00 O ATOM 1432 CB THR A 86 -4.549 -4.290 -17.150 1.00 0.00 C ATOM 1433 OG1 THR A 86 -5.142 -5.283 -16.324 1.00 0.00 O ATOM 1434 CG2 THR A 86 -5.587 -3.219 -17.486 1.00 0.00 C ATOM 0 H THR A 86 -5.394 -6.596 -18.488 1.00 0.00 H new ATOM 0 HA THR A 86 -3.752 -4.169 -19.148 1.00 0.00 H new ATOM 0 HB THR A 86 -3.713 -3.828 -16.626 1.00 0.00 H new ATOM 0 HG1 THR A 86 -5.603 -4.852 -15.574 1.00 0.00 H new ATOM 0 HG21 THR A 86 -5.943 -2.756 -16.566 1.00 0.00 H new ATOM 0 HG22 THR A 86 -5.133 -2.460 -18.123 1.00 0.00 H new ATOM 0 HG23 THR A 86 -6.426 -3.677 -18.009 1.00 0.00 H new ATOM 1442 N ARG A 87 -1.759 -5.251 -17.688 1.00 0.00 N ATOM 1443 CA ARG A 87 -0.558 -6.071 -17.365 1.00 0.00 C ATOM 1444 C ARG A 87 -0.512 -6.318 -15.857 1.00 0.00 C ATOM 1445 O ARG A 87 -1.017 -5.537 -15.077 1.00 0.00 O ATOM 1446 CB ARG A 87 0.707 -5.325 -17.798 1.00 0.00 C ATOM 1447 CG ARG A 87 0.398 -4.455 -19.019 1.00 0.00 C ATOM 1448 CD ARG A 87 -0.357 -5.284 -20.059 1.00 0.00 C ATOM 1449 NE ARG A 87 0.330 -5.175 -21.376 1.00 0.00 N ATOM 1450 CZ ARG A 87 -0.366 -4.970 -22.461 1.00 0.00 C ATOM 1451 NH1 ARG A 87 -1.625 -5.307 -22.502 1.00 0.00 N ATOM 1452 NH2 ARG A 87 0.199 -4.427 -23.505 1.00 0.00 N ATOM 0 H ARG A 87 -1.654 -4.247 -17.540 1.00 0.00 H new ATOM 0 HA ARG A 87 -0.612 -7.023 -17.894 1.00 0.00 H new ATOM 0 HB2 ARG A 87 1.073 -4.704 -16.980 1.00 0.00 H new ATOM 0 HB3 ARG A 87 1.497 -6.037 -18.037 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -0.199 -3.593 -18.723 1.00 0.00 H new ATOM 0 HG3 ARG A 87 1.323 -4.070 -19.448 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -0.402 -6.327 -19.745 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -1.385 -4.932 -20.143 1.00 0.00 H new ATOM 0 HE ARG A 87 1.345 -5.261 -21.430 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -2.066 -5.731 -21.686 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -2.169 -5.147 -23.350 1.00 0.00 H new ATOM 0 HH21 ARG A 87 1.184 -4.163 -23.473 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -0.344 -4.267 -24.353 1.00 0.00 H new ATOM 1466 N VAL A 88 0.089 -7.397 -15.437 1.00 0.00 N ATOM 1467 CA VAL A 88 0.155 -7.686 -13.977 1.00 0.00 C ATOM 1468 C VAL A 88 1.505 -7.226 -13.427 1.00 0.00 C ATOM 1469 O VAL A 88 2.546 -7.514 -13.983 1.00 0.00 O ATOM 1470 CB VAL A 88 -0.006 -9.190 -13.747 1.00 0.00 C ATOM 1471 CG1 VAL A 88 -0.418 -9.441 -12.294 1.00 0.00 C ATOM 1472 CG2 VAL A 88 -1.087 -9.732 -14.684 1.00 0.00 C ATOM 0 H VAL A 88 0.536 -8.089 -16.039 1.00 0.00 H new ATOM 0 HA VAL A 88 -0.646 -7.153 -13.464 1.00 0.00 H new ATOM 0 HB VAL A 88 0.939 -9.694 -13.949 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -0.533 -10.512 -12.128 1.00 0.00 H new ATOM 0 HG12 VAL A 88 0.350 -9.051 -11.626 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -1.364 -8.939 -12.092 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -1.204 -10.804 -14.523 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -2.032 -9.229 -14.479 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -0.796 -9.550 -15.719 1.00 0.00 H new ATOM 1482 N VAL A 89 1.493 -6.501 -12.342 1.00 0.00 N ATOM 1483 CA VAL A 89 2.771 -6.009 -11.760 1.00 0.00 C ATOM 1484 C VAL A 89 3.277 -6.997 -10.707 1.00 0.00 C ATOM 1485 O VAL A 89 4.465 -7.207 -10.560 1.00 0.00 O ATOM 1486 CB VAL A 89 2.540 -4.644 -11.109 1.00 0.00 C ATOM 1487 CG1 VAL A 89 3.841 -4.158 -10.471 1.00 0.00 C ATOM 1488 CG2 VAL A 89 2.088 -3.644 -12.175 1.00 0.00 C ATOM 0 H VAL A 89 0.652 -6.229 -11.834 1.00 0.00 H new ATOM 0 HA VAL A 89 3.515 -5.917 -12.551 1.00 0.00 H new ATOM 0 HB VAL A 89 1.771 -4.730 -10.342 1.00 0.00 H new ATOM 0 HG11 VAL A 89 3.677 -3.185 -10.007 1.00 0.00 H new ATOM 0 HG12 VAL A 89 4.164 -4.872 -9.713 1.00 0.00 H new ATOM 0 HG13 VAL A 89 4.611 -4.069 -11.237 1.00 0.00 H new ATOM 0 HG21 VAL A 89 1.923 -2.670 -11.714 1.00 0.00 H new ATOM 0 HG22 VAL A 89 2.858 -3.556 -12.941 1.00 0.00 H new ATOM 0 HG23 VAL A 89 1.161 -3.992 -12.630 1.00 0.00 H new ATOM 1498 N ARG A 90 2.388 -7.606 -9.971 1.00 0.00 N ATOM 1499 CA ARG A 90 2.822 -8.577 -8.929 1.00 0.00 C ATOM 1500 C ARG A 90 1.594 -9.112 -8.193 1.00 0.00 C ATOM 1501 O ARG A 90 1.013 -8.441 -7.363 1.00 0.00 O ATOM 1502 CB ARG A 90 3.749 -7.881 -7.930 1.00 0.00 C ATOM 1503 CG ARG A 90 4.742 -8.898 -7.364 1.00 0.00 C ATOM 1504 CD ARG A 90 6.017 -8.176 -6.922 1.00 0.00 C ATOM 1505 NE ARG A 90 7.091 -9.178 -6.670 1.00 0.00 N ATOM 1506 CZ ARG A 90 7.767 -9.676 -7.669 1.00 0.00 C ATOM 1507 NH1 ARG A 90 8.519 -8.899 -8.401 1.00 0.00 N ATOM 1508 NH2 ARG A 90 7.692 -10.951 -7.938 1.00 0.00 N ATOM 0 H ARG A 90 1.380 -7.473 -10.047 1.00 0.00 H new ATOM 0 HA ARG A 90 3.355 -9.402 -9.402 1.00 0.00 H new ATOM 0 HB2 ARG A 90 4.284 -7.067 -8.420 1.00 0.00 H new ATOM 0 HB3 ARG A 90 3.165 -7.438 -7.123 1.00 0.00 H new ATOM 0 HG2 ARG A 90 4.298 -9.424 -6.519 1.00 0.00 H new ATOM 0 HG3 ARG A 90 4.979 -9.649 -8.118 1.00 0.00 H new ATOM 0 HD2 ARG A 90 6.335 -7.472 -7.691 1.00 0.00 H new ATOM 0 HD3 ARG A 90 5.826 -7.597 -6.019 1.00 0.00 H new ATOM 0 HE ARG A 90 7.298 -9.475 -5.716 1.00 0.00 H new ATOM 0 HH11 ARG A 90 8.578 -7.902 -8.192 1.00 0.00 H new ATOM 0 HH12 ARG A 90 9.047 -9.289 -9.182 1.00 0.00 H new ATOM 0 HH21 ARG A 90 7.105 -11.559 -7.367 1.00 0.00 H new ATOM 0 HH22 ARG A 90 8.221 -11.339 -8.719 1.00 0.00 H new ATOM 1522 N ALA A 91 1.194 -10.315 -8.498 1.00 0.00 N ATOM 1523 CA ALA A 91 0.002 -10.901 -7.822 1.00 0.00 C ATOM 1524 C ALA A 91 0.455 -11.767 -6.645 1.00 0.00 C ATOM 1525 O ALA A 91 1.144 -12.752 -6.816 1.00 0.00 O ATOM 1526 CB ALA A 91 -0.774 -11.764 -8.818 1.00 0.00 C ATOM 0 H ALA A 91 1.642 -10.919 -9.187 1.00 0.00 H new ATOM 0 HA ALA A 91 -0.639 -10.098 -7.457 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -1.646 -12.193 -8.325 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -1.098 -11.149 -9.657 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -0.132 -12.566 -9.182 1.00 0.00 H new ATOM 1532 N ASP A 92 0.072 -11.409 -5.450 1.00 0.00 N ATOM 1533 CA ASP A 92 0.481 -12.215 -4.263 1.00 0.00 C ATOM 1534 C ASP A 92 -0.741 -12.939 -3.692 1.00 0.00 C ATOM 1535 O ASP A 92 -0.619 -13.927 -2.995 1.00 0.00 O ATOM 1536 CB ASP A 92 1.072 -11.291 -3.197 1.00 0.00 C ATOM 1537 CG ASP A 92 2.036 -12.084 -2.313 1.00 0.00 C ATOM 1538 OD1 ASP A 92 3.114 -12.405 -2.785 1.00 0.00 O ATOM 1539 OD2 ASP A 92 1.679 -12.356 -1.178 1.00 0.00 O ATOM 0 H ASP A 92 -0.506 -10.594 -5.244 1.00 0.00 H new ATOM 0 HA ASP A 92 1.230 -12.948 -4.563 1.00 0.00 H new ATOM 0 HB2 ASP A 92 1.595 -10.460 -3.670 1.00 0.00 H new ATOM 0 HB3 ASP A 92 0.275 -10.861 -2.590 1.00 0.00 H new ATOM 1544 N GLY A 93 -1.918 -12.454 -3.980 1.00 0.00 N ATOM 1545 CA GLY A 93 -3.146 -13.115 -3.454 1.00 0.00 C ATOM 1546 C GLY A 93 -3.968 -12.102 -2.655 1.00 0.00 C ATOM 1547 O GLY A 93 -3.533 -11.613 -1.631 1.00 0.00 O ATOM 0 H GLY A 93 -2.082 -11.629 -4.557 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -3.739 -13.512 -4.278 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -2.874 -13.960 -2.821 1.00 0.00 H new ATOM 1551 N LEU A 94 -5.151 -11.786 -3.122 1.00 0.00 N ATOM 1552 CA LEU A 94 -6.021 -10.800 -2.409 1.00 0.00 C ATOM 1553 C LEU A 94 -5.633 -9.383 -2.828 1.00 0.00 C ATOM 1554 O LEU A 94 -6.442 -8.625 -3.324 1.00 0.00 O ATOM 1555 CB LEU A 94 -5.855 -10.952 -0.894 1.00 0.00 C ATOM 1556 CG LEU A 94 -7.166 -10.588 -0.195 1.00 0.00 C ATOM 1557 CD1 LEU A 94 -8.047 -11.834 -0.077 1.00 0.00 C ATOM 1558 CD2 LEU A 94 -6.861 -10.049 1.205 1.00 0.00 C ATOM 0 H LEU A 94 -5.555 -12.173 -3.975 1.00 0.00 H new ATOM 0 HA LEU A 94 -7.062 -10.987 -2.672 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -5.573 -11.976 -0.650 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -5.051 -10.307 -0.540 1.00 0.00 H new ATOM 0 HG LEU A 94 -7.688 -9.828 -0.776 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -8.981 -11.573 0.421 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -8.263 -12.223 -1.072 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -7.526 -12.595 0.504 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -7.793 -9.789 1.706 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -6.339 -10.812 1.783 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -6.233 -9.162 1.124 1.00 0.00 H new ATOM 1570 N TYR A 95 -4.398 -9.023 -2.642 1.00 0.00 N ATOM 1571 CA TYR A 95 -3.950 -7.659 -3.037 1.00 0.00 C ATOM 1572 C TYR A 95 -2.893 -7.785 -4.135 1.00 0.00 C ATOM 1573 O TYR A 95 -1.859 -8.393 -3.946 1.00 0.00 O ATOM 1574 CB TYR A 95 -3.351 -6.943 -1.824 1.00 0.00 C ATOM 1575 CG TYR A 95 -4.383 -6.018 -1.228 1.00 0.00 C ATOM 1576 CD1 TYR A 95 -5.623 -6.525 -0.814 1.00 0.00 C ATOM 1577 CD2 TYR A 95 -4.102 -4.653 -1.087 1.00 0.00 C ATOM 1578 CE1 TYR A 95 -6.582 -5.666 -0.260 1.00 0.00 C ATOM 1579 CE2 TYR A 95 -5.061 -3.793 -0.534 1.00 0.00 C ATOM 1580 CZ TYR A 95 -6.300 -4.300 -0.120 1.00 0.00 C ATOM 1581 OH TYR A 95 -7.244 -3.454 0.425 1.00 0.00 O ATOM 0 H TYR A 95 -3.675 -9.615 -2.232 1.00 0.00 H new ATOM 0 HA TYR A 95 -4.799 -7.083 -3.406 1.00 0.00 H new ATOM 0 HB2 TYR A 95 -3.027 -7.672 -1.081 1.00 0.00 H new ATOM 0 HB3 TYR A 95 -2.468 -6.377 -2.121 1.00 0.00 H new ATOM 0 HD1 TYR A 95 -5.839 -7.578 -0.922 1.00 0.00 H new ATOM 0 HD2 TYR A 95 -3.146 -4.263 -1.404 1.00 0.00 H new ATOM 0 HE1 TYR A 95 -7.537 -6.056 0.059 1.00 0.00 H new ATOM 0 HE2 TYR A 95 -4.845 -2.740 -0.427 1.00 0.00 H new ATOM 0 HH TYR A 95 -6.889 -2.541 0.451 1.00 0.00 H new ATOM 1591 N VAL A 96 -3.151 -7.231 -5.288 1.00 0.00 N ATOM 1592 CA VAL A 96 -2.163 -7.343 -6.398 1.00 0.00 C ATOM 1593 C VAL A 96 -1.883 -5.966 -7.001 1.00 0.00 C ATOM 1594 O VAL A 96 -2.671 -5.049 -6.883 1.00 0.00 O ATOM 1595 CB VAL A 96 -2.739 -8.248 -7.486 1.00 0.00 C ATOM 1596 CG1 VAL A 96 -1.811 -8.244 -8.701 1.00 0.00 C ATOM 1597 CG2 VAL A 96 -2.870 -9.674 -6.946 1.00 0.00 C ATOM 0 H VAL A 96 -3.999 -6.708 -5.509 1.00 0.00 H new ATOM 0 HA VAL A 96 -1.235 -7.758 -6.006 1.00 0.00 H new ATOM 0 HB VAL A 96 -3.721 -7.880 -7.781 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -2.223 -8.890 -9.476 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -1.720 -7.228 -9.086 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -0.827 -8.611 -8.409 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -3.281 -10.320 -7.722 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -1.888 -10.042 -6.649 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -3.535 -9.676 -6.082 1.00 0.00 H new ATOM 1607 N ASP A 97 -0.770 -5.824 -7.670 1.00 0.00 N ATOM 1608 CA ASP A 97 -0.442 -4.521 -8.311 1.00 0.00 C ATOM 1609 C ASP A 97 -0.818 -4.614 -9.790 1.00 0.00 C ATOM 1610 O ASP A 97 -0.680 -5.653 -10.403 1.00 0.00 O ATOM 1611 CB ASP A 97 1.057 -4.242 -8.175 1.00 0.00 C ATOM 1612 CG ASP A 97 1.362 -3.783 -6.748 1.00 0.00 C ATOM 1613 OD1 ASP A 97 0.580 -4.096 -5.866 1.00 0.00 O ATOM 1614 OD2 ASP A 97 2.373 -3.126 -6.562 1.00 0.00 O ATOM 0 H ASP A 97 -0.073 -6.557 -7.800 1.00 0.00 H new ATOM 0 HA ASP A 97 -0.992 -3.712 -7.830 1.00 0.00 H new ATOM 0 HB2 ASP A 97 1.628 -5.140 -8.409 1.00 0.00 H new ATOM 0 HB3 ASP A 97 1.361 -3.476 -8.888 1.00 0.00 H new ATOM 1619 N LEU A 98 -1.314 -3.556 -10.371 1.00 0.00 N ATOM 1620 CA LEU A 98 -1.710 -3.637 -11.805 1.00 0.00 C ATOM 1621 C LEU A 98 -1.227 -2.409 -12.576 1.00 0.00 C ATOM 1622 O LEU A 98 -1.253 -1.298 -12.085 1.00 0.00 O ATOM 1623 CB LEU A 98 -3.234 -3.726 -11.897 1.00 0.00 C ATOM 1624 CG LEU A 98 -3.627 -5.046 -12.559 1.00 0.00 C ATOM 1625 CD1 LEU A 98 -3.291 -4.983 -14.048 1.00 0.00 C ATOM 1626 CD2 LEU A 98 -2.850 -6.194 -11.908 1.00 0.00 C ATOM 0 H LEU A 98 -1.461 -2.652 -9.923 1.00 0.00 H new ATOM 0 HA LEU A 98 -1.251 -4.522 -12.245 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -3.674 -3.661 -10.902 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -3.624 -2.887 -12.474 1.00 0.00 H new ATOM 0 HG LEU A 98 -4.696 -5.215 -12.433 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -3.570 -5.923 -14.524 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -3.842 -4.164 -14.511 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -2.221 -4.817 -14.173 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -3.130 -7.136 -12.380 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -1.780 -6.028 -12.036 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -3.086 -6.236 -10.845 1.00 0.00 H new ATOM 1638 N ARG A 99 -0.794 -2.611 -13.792 1.00 0.00 N ATOM 1639 CA ARG A 99 -0.316 -1.471 -14.616 1.00 0.00 C ATOM 1640 C ARG A 99 -0.924 -1.567 -16.019 1.00 0.00 C ATOM 1641 O ARG A 99 -0.616 -2.463 -16.784 1.00 0.00 O ATOM 1642 CB ARG A 99 1.212 -1.511 -14.713 1.00 0.00 C ATOM 1643 CG ARG A 99 1.655 -2.842 -15.323 1.00 0.00 C ATOM 1644 CD ARG A 99 2.475 -2.575 -16.589 1.00 0.00 C ATOM 1645 NE ARG A 99 3.924 -2.554 -16.247 1.00 0.00 N ATOM 1646 CZ ARG A 99 4.435 -3.504 -15.513 1.00 0.00 C ATOM 1647 NH1 ARG A 99 4.443 -4.733 -15.950 1.00 0.00 N ATOM 1648 NH2 ARG A 99 4.938 -3.225 -14.342 1.00 0.00 N ATOM 0 H ARG A 99 -0.752 -3.522 -14.249 1.00 0.00 H new ATOM 0 HA ARG A 99 -0.622 -0.534 -14.151 1.00 0.00 H new ATOM 0 HB2 ARG A 99 1.569 -0.683 -15.325 1.00 0.00 H new ATOM 0 HB3 ARG A 99 1.652 -1.389 -13.723 1.00 0.00 H new ATOM 0 HG2 ARG A 99 2.250 -3.404 -14.603 1.00 0.00 H new ATOM 0 HG3 ARG A 99 0.784 -3.452 -15.563 1.00 0.00 H new ATOM 0 HD2 ARG A 99 2.277 -3.347 -17.333 1.00 0.00 H new ATOM 0 HD3 ARG A 99 2.181 -1.623 -17.031 1.00 0.00 H new ATOM 0 HE ARG A 99 4.517 -1.797 -16.587 1.00 0.00 H new ATOM 0 HH11 ARG A 99 4.050 -4.951 -16.865 1.00 0.00 H new ATOM 0 HH12 ARG A 99 4.842 -5.476 -15.376 1.00 0.00 H new ATOM 0 HH21 ARG A 99 4.932 -2.264 -14.000 1.00 0.00 H new ATOM 0 HH22 ARG A 99 5.337 -3.968 -13.768 1.00 0.00 H new ATOM 1662 N ARG A 100 -1.789 -0.653 -16.362 1.00 0.00 N ATOM 1663 CA ARG A 100 -2.414 -0.688 -17.713 1.00 0.00 C ATOM 1664 C ARG A 100 -1.482 -0.005 -18.713 1.00 0.00 C ATOM 1665 O ARG A 100 -0.873 1.004 -18.419 1.00 0.00 O ATOM 1666 CB ARG A 100 -3.754 0.051 -17.675 1.00 0.00 C ATOM 1667 CG ARG A 100 -4.661 -0.478 -18.788 1.00 0.00 C ATOM 1668 CD ARG A 100 -4.791 0.579 -19.888 1.00 0.00 C ATOM 1669 NE ARG A 100 -6.232 0.795 -20.201 1.00 0.00 N ATOM 1670 CZ ARG A 100 -6.795 0.134 -21.175 1.00 0.00 C ATOM 1671 NH1 ARG A 100 -6.233 0.101 -22.352 1.00 0.00 N ATOM 1672 NH2 ARG A 100 -7.921 -0.495 -20.972 1.00 0.00 N ATOM 0 H ARG A 100 -2.090 0.117 -15.764 1.00 0.00 H new ATOM 0 HA ARG A 100 -2.581 -1.722 -18.014 1.00 0.00 H new ATOM 0 HB2 ARG A 100 -4.231 -0.089 -16.705 1.00 0.00 H new ATOM 0 HB3 ARG A 100 -3.594 1.122 -17.800 1.00 0.00 H new ATOM 0 HG2 ARG A 100 -4.249 -1.399 -19.201 1.00 0.00 H new ATOM 0 HG3 ARG A 100 -5.644 -0.722 -18.385 1.00 0.00 H new ATOM 0 HD2 ARG A 100 -4.334 1.514 -19.565 1.00 0.00 H new ATOM 0 HD3 ARG A 100 -4.258 0.256 -20.782 1.00 0.00 H new ATOM 0 HE ARG A 100 -6.778 1.460 -19.654 1.00 0.00 H new ATOM 0 HH11 ARG A 100 -5.353 0.592 -22.511 1.00 0.00 H new ATOM 0 HH12 ARG A 100 -6.673 -0.416 -23.113 1.00 0.00 H new ATOM 0 HH21 ARG A 100 -8.361 -0.470 -20.052 1.00 0.00 H new ATOM 0 HH22 ARG A 100 -8.361 -1.012 -21.733 1.00 0.00 H new