USER MOD reduce.3.24.130724 H: found=0, std=0, add=540, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 540 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 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 THR OG1 : rot -135:sc= 0.719 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 CYS SG : rot -10:sc= -2.68! USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 ASN : amide:sc= 0.485 K(o=0.49,f=-5.3!) USER MOD Single : A 87 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 TYR OH : rot 180:sc= -0.312 USER MOD Single : A 91 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 92 CYS SG : rot 29:sc= -0.311 USER MOD Single : A 93 GLN : amide:sc= -0.0639 X(o=-0.064,f=-0.36) USER MOD Single : A 95 LYS NZ :NH3+ -136:sc= -0.106 (180deg=-1.03) USER MOD Single : A 96 TYR OH : rot 180:sc= 0 USER MOD Single : A 103 HIS : no HE2:sc= -4.77! C(o=-4.8!,f=-5.3!) USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 THR OG1 : rot 180:sc= 0 USER MOD Single : A 107 LYS NZ :NH3+ 157:sc= -0.0413 (180deg=-0.27) USER MOD ----------------------------------------------------------------- ATOM 521 N LEU A 39 10.130 -5.507 8.206 1.00 0.00 N ATOM 522 CA LEU A 39 9.324 -4.342 8.552 1.00 0.00 C ATOM 523 C LEU A 39 8.492 -4.608 9.803 1.00 0.00 C ATOM 524 O LEU A 39 8.423 -5.739 10.286 1.00 0.00 O ATOM 525 CB LEU A 39 8.406 -3.966 7.387 1.00 0.00 C ATOM 526 CG LEU A 39 9.125 -3.667 6.069 1.00 0.00 C ATOM 527 CD1 LEU A 39 8.305 -4.163 4.888 1.00 0.00 C ATOM 528 CD2 LEU A 39 9.400 -2.176 5.941 1.00 0.00 C ATOM 0 HA LEU A 39 10.000 -3.512 8.756 1.00 0.00 H new ATOM 0 HB2 LEU A 39 7.700 -4.780 7.222 1.00 0.00 H new ATOM 0 HB3 LEU A 39 7.822 -3.091 7.672 1.00 0.00 H new ATOM 0 HG LEU A 39 10.079 -4.195 6.069 1.00 0.00 H new ATOM 0 HD11 LEU A 39 8.832 -3.941 3.960 1.00 0.00 H new ATOM 0 HD12 LEU A 39 8.158 -5.240 4.974 1.00 0.00 H new ATOM 0 HD13 LEU A 39 7.336 -3.664 4.883 1.00 0.00 H new ATOM 0 HD21 LEU A 39 9.912 -1.980 4.999 1.00 0.00 H new ATOM 0 HD22 LEU A 39 8.457 -1.629 5.963 1.00 0.00 H new ATOM 0 HD23 LEU A 39 10.028 -1.849 6.770 1.00 0.00 H new ATOM 540 N LYS A 40 7.861 -3.560 10.322 1.00 0.00 N ATOM 541 CA LYS A 40 7.034 -3.680 11.517 1.00 0.00 C ATOM 542 C LYS A 40 5.867 -2.700 11.471 1.00 0.00 C ATOM 543 O LYS A 40 5.738 -1.916 10.531 1.00 0.00 O ATOM 544 CB LYS A 40 7.874 -3.434 12.771 1.00 0.00 C ATOM 545 CG LYS A 40 8.530 -4.690 13.321 1.00 0.00 C ATOM 546 CD LYS A 40 8.928 -4.518 14.778 1.00 0.00 C ATOM 547 CE LYS A 40 9.503 -5.802 15.353 1.00 0.00 C ATOM 548 NZ LYS A 40 9.389 -5.846 16.837 1.00 0.00 N ATOM 0 H LYS A 40 7.907 -2.618 9.934 1.00 0.00 H new ATOM 0 HA LYS A 40 6.633 -4.693 11.551 1.00 0.00 H new ATOM 0 HB2 LYS A 40 8.647 -2.701 12.542 1.00 0.00 H new ATOM 0 HB3 LYS A 40 7.240 -2.998 13.543 1.00 0.00 H new ATOM 0 HG2 LYS A 40 7.843 -5.531 13.227 1.00 0.00 H new ATOM 0 HG3 LYS A 40 9.412 -4.931 12.728 1.00 0.00 H new ATOM 0 HD2 LYS A 40 9.664 -3.718 14.863 1.00 0.00 H new ATOM 0 HD3 LYS A 40 8.058 -4.215 15.361 1.00 0.00 H new ATOM 0 HE2 LYS A 40 8.982 -6.657 14.923 1.00 0.00 H new ATOM 0 HE3 LYS A 40 10.551 -5.891 15.067 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 9.792 -6.737 17.190 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 9.908 -5.044 17.249 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 8.387 -5.787 17.110 1.00 0.00 H new ATOM 562 N ILE A 41 5.020 -2.750 12.494 1.00 0.00 N ATOM 563 CA ILE A 41 3.863 -1.865 12.569 1.00 0.00 C ATOM 564 C ILE A 41 4.245 -0.511 13.157 1.00 0.00 C ATOM 565 O ILE A 41 4.658 -0.418 14.313 1.00 0.00 O ATOM 566 CB ILE A 41 2.738 -2.483 13.422 1.00 0.00 C ATOM 567 CG1 ILE A 41 2.473 -3.925 12.988 1.00 0.00 C ATOM 568 CG2 ILE A 41 1.470 -1.649 13.311 1.00 0.00 C ATOM 569 CD1 ILE A 41 2.103 -4.060 11.527 1.00 0.00 C ATOM 0 H ILE A 41 5.113 -3.392 13.281 1.00 0.00 H new ATOM 0 HA ILE A 41 3.503 -1.727 11.550 1.00 0.00 H new ATOM 0 HB ILE A 41 3.055 -2.490 14.465 1.00 0.00 H new ATOM 0 HG12 ILE A 41 3.362 -4.524 13.186 1.00 0.00 H new ATOM 0 HG13 ILE A 41 1.669 -4.337 13.597 1.00 0.00 H new ATOM 0 HG21 ILE A 41 0.685 -2.098 13.919 1.00 0.00 H new ATOM 0 HG22 ILE A 41 1.668 -0.637 13.664 1.00 0.00 H new ATOM 0 HG23 ILE A 41 1.148 -1.614 12.270 1.00 0.00 H new ATOM 0 HD11 ILE A 41 1.930 -5.110 11.291 1.00 0.00 H new ATOM 0 HD12 ILE A 41 1.197 -3.489 11.327 1.00 0.00 H new ATOM 0 HD13 ILE A 41 2.916 -3.679 10.909 1.00 0.00 H new ATOM 581 N GLY A 42 4.104 0.538 12.353 1.00 0.00 N ATOM 582 CA GLY A 42 4.439 1.873 12.810 1.00 0.00 C ATOM 583 C GLY A 42 5.711 2.401 12.176 1.00 0.00 C ATOM 584 O GLY A 42 6.447 3.172 12.793 1.00 0.00 O ATOM 0 H GLY A 42 3.764 0.487 11.393 1.00 0.00 H new ATOM 0 HA2 GLY A 42 3.615 2.549 12.582 1.00 0.00 H new ATOM 0 HA3 GLY A 42 4.553 1.865 13.894 1.00 0.00 H new ATOM 588 N ASP A 43 5.971 1.986 10.941 1.00 0.00 N ATOM 589 CA ASP A 43 7.163 2.422 10.223 1.00 0.00 C ATOM 590 C ASP A 43 6.798 2.990 8.856 1.00 0.00 C ATOM 591 O ASP A 43 6.061 2.367 8.090 1.00 0.00 O ATOM 592 CB ASP A 43 8.142 1.258 10.060 1.00 0.00 C ATOM 593 CG ASP A 43 9.585 1.719 9.998 1.00 0.00 C ATOM 594 OD1 ASP A 43 10.078 2.262 11.009 1.00 0.00 O ATOM 595 OD2 ASP A 43 10.221 1.537 8.939 1.00 0.00 O ATOM 0 H ASP A 43 5.372 1.348 10.416 1.00 0.00 H new ATOM 0 HA ASP A 43 7.640 3.209 10.808 1.00 0.00 H new ATOM 0 HB2 ASP A 43 8.020 0.566 10.893 1.00 0.00 H new ATOM 0 HB3 ASP A 43 7.900 0.708 9.150 1.00 0.00 H new ATOM 600 N ARG A 44 7.317 4.176 8.555 1.00 0.00 N ATOM 601 CA ARG A 44 7.046 4.828 7.280 1.00 0.00 C ATOM 602 C ARG A 44 7.588 4.000 6.118 1.00 0.00 C ATOM 603 O ARG A 44 8.587 3.296 6.259 1.00 0.00 O ATOM 604 CB ARG A 44 7.663 6.227 7.255 1.00 0.00 C ATOM 605 CG ARG A 44 6.988 7.206 8.205 1.00 0.00 C ATOM 606 CD ARG A 44 6.431 8.411 7.464 1.00 0.00 C ATOM 607 NE ARG A 44 5.423 9.119 8.251 1.00 0.00 N ATOM 608 CZ ARG A 44 4.544 9.974 7.732 1.00 0.00 C ATOM 609 NH1 ARG A 44 4.546 10.230 6.429 1.00 0.00 N ATOM 610 NH2 ARG A 44 3.662 10.575 8.519 1.00 0.00 N ATOM 0 H ARG A 44 7.928 4.705 9.177 1.00 0.00 H new ATOM 0 HA ARG A 44 5.965 4.914 7.169 1.00 0.00 H new ATOM 0 HB2 ARG A 44 8.720 6.154 7.512 1.00 0.00 H new ATOM 0 HB3 ARG A 44 7.608 6.621 6.240 1.00 0.00 H new ATOM 0 HG2 ARG A 44 6.182 6.701 8.737 1.00 0.00 H new ATOM 0 HG3 ARG A 44 7.705 7.539 8.955 1.00 0.00 H new ATOM 0 HD2 ARG A 44 7.245 9.094 7.218 1.00 0.00 H new ATOM 0 HD3 ARG A 44 5.992 8.086 6.521 1.00 0.00 H new ATOM 0 HE ARG A 44 5.391 8.948 9.256 1.00 0.00 H new ATOM 0 HH11 ARG A 44 5.223 9.771 5.820 1.00 0.00 H new ATOM 0 HH12 ARG A 44 3.870 10.886 6.037 1.00 0.00 H new ATOM 0 HH21 ARG A 44 3.658 10.382 9.521 1.00 0.00 H new ATOM 0 HH22 ARG A 44 2.988 11.230 8.123 1.00 0.00 H new ATOM 624 N VAL A 45 6.921 4.090 4.973 1.00 0.00 N ATOM 625 CA VAL A 45 7.335 3.349 3.787 1.00 0.00 C ATOM 626 C VAL A 45 6.956 4.096 2.513 1.00 0.00 C ATOM 627 O VAL A 45 6.061 4.940 2.518 1.00 0.00 O ATOM 628 CB VAL A 45 6.704 1.945 3.752 1.00 0.00 C ATOM 629 CG1 VAL A 45 7.302 1.063 4.837 1.00 0.00 C ATOM 630 CG2 VAL A 45 5.193 2.036 3.899 1.00 0.00 C ATOM 0 H VAL A 45 6.091 4.669 4.841 1.00 0.00 H new ATOM 0 HA VAL A 45 8.419 3.250 3.839 1.00 0.00 H new ATOM 0 HB VAL A 45 6.925 1.491 2.786 1.00 0.00 H new ATOM 0 HG11 VAL A 45 6.844 0.075 4.796 1.00 0.00 H new ATOM 0 HG12 VAL A 45 8.377 0.971 4.680 1.00 0.00 H new ATOM 0 HG13 VAL A 45 7.115 1.510 5.813 1.00 0.00 H new ATOM 0 HG21 VAL A 45 4.764 1.034 3.872 1.00 0.00 H new ATOM 0 HG22 VAL A 45 4.948 2.510 4.849 1.00 0.00 H new ATOM 0 HG23 VAL A 45 4.783 2.629 3.081 1.00 0.00 H new ATOM 640 N LEU A 46 7.644 3.779 1.421 1.00 0.00 N ATOM 641 CA LEU A 46 7.381 4.419 0.138 1.00 0.00 C ATOM 642 C LEU A 46 7.321 3.387 -0.983 1.00 0.00 C ATOM 643 O LEU A 46 8.242 2.591 -1.158 1.00 0.00 O ATOM 644 CB LEU A 46 8.460 5.460 -0.168 1.00 0.00 C ATOM 645 CG LEU A 46 8.292 6.194 -1.500 1.00 0.00 C ATOM 646 CD1 LEU A 46 7.127 7.167 -1.430 1.00 0.00 C ATOM 647 CD2 LEU A 46 9.576 6.920 -1.871 1.00 0.00 C ATOM 0 H LEU A 46 8.388 3.082 1.399 1.00 0.00 H new ATOM 0 HA LEU A 46 6.413 4.917 0.201 1.00 0.00 H new ATOM 0 HB2 LEU A 46 8.472 6.196 0.636 1.00 0.00 H new ATOM 0 HB3 LEU A 46 9.432 4.966 -0.163 1.00 0.00 H new ATOM 0 HG LEU A 46 8.076 5.459 -2.275 1.00 0.00 H new ATOM 0 HD11 LEU A 46 7.023 7.680 -2.386 1.00 0.00 H new ATOM 0 HD12 LEU A 46 6.210 6.621 -1.209 1.00 0.00 H new ATOM 0 HD13 LEU A 46 7.311 7.899 -0.644 1.00 0.00 H new ATOM 0 HD21 LEU A 46 9.440 7.437 -2.821 1.00 0.00 H new ATOM 0 HD22 LEU A 46 9.821 7.645 -1.095 1.00 0.00 H new ATOM 0 HD23 LEU A 46 10.388 6.199 -1.963 1.00 0.00 H new ATOM 659 N VAL A 47 6.228 3.406 -1.739 1.00 0.00 N ATOM 660 CA VAL A 47 6.047 2.471 -2.844 1.00 0.00 C ATOM 661 C VAL A 47 5.758 3.210 -4.147 1.00 0.00 C ATOM 662 O VAL A 47 4.759 3.921 -4.261 1.00 0.00 O ATOM 663 CB VAL A 47 4.901 1.480 -2.558 1.00 0.00 C ATOM 664 CG1 VAL A 47 3.581 2.218 -2.387 1.00 0.00 C ATOM 665 CG2 VAL A 47 4.800 0.441 -3.665 1.00 0.00 C ATOM 0 H VAL A 47 5.455 4.058 -1.607 1.00 0.00 H new ATOM 0 HA VAL A 47 6.979 1.915 -2.946 1.00 0.00 H new ATOM 0 HB VAL A 47 5.123 0.962 -1.625 1.00 0.00 H new ATOM 0 HG11 VAL A 47 2.786 1.500 -2.186 1.00 0.00 H new ATOM 0 HG12 VAL A 47 3.659 2.915 -1.553 1.00 0.00 H new ATOM 0 HG13 VAL A 47 3.351 2.768 -3.299 1.00 0.00 H new ATOM 0 HG21 VAL A 47 3.985 -0.248 -3.444 1.00 0.00 H new ATOM 0 HG22 VAL A 47 4.606 0.939 -4.615 1.00 0.00 H new ATOM 0 HG23 VAL A 47 5.736 -0.113 -3.731 1.00 0.00 H new ATOM 675 N GLY A 48 6.638 3.038 -5.127 1.00 0.00 N ATOM 676 CA GLY A 48 6.460 3.695 -6.409 1.00 0.00 C ATOM 677 C GLY A 48 7.228 4.998 -6.505 1.00 0.00 C ATOM 678 O GLY A 48 7.779 5.325 -7.556 1.00 0.00 O ATOM 0 H GLY A 48 7.472 2.455 -5.057 1.00 0.00 H new ATOM 0 HA2 GLY A 48 6.786 3.025 -7.205 1.00 0.00 H new ATOM 0 HA3 GLY A 48 5.400 3.889 -6.570 1.00 0.00 H new ATOM 682 N GLY A 49 7.265 5.743 -5.405 1.00 0.00 N ATOM 683 CA GLY A 49 7.975 7.009 -5.390 1.00 0.00 C ATOM 684 C GLY A 49 7.038 8.199 -5.321 1.00 0.00 C ATOM 685 O GLY A 49 7.366 9.285 -5.802 1.00 0.00 O ATOM 0 H GLY A 49 6.816 5.493 -4.524 1.00 0.00 H new ATOM 0 HA2 GLY A 49 8.651 7.033 -4.535 1.00 0.00 H new ATOM 0 HA3 GLY A 49 8.591 7.087 -6.286 1.00 0.00 H new ATOM 689 N THR A 50 5.869 7.996 -4.722 1.00 0.00 N ATOM 690 CA THR A 50 4.881 9.062 -4.591 1.00 0.00 C ATOM 691 C THR A 50 3.939 8.789 -3.424 1.00 0.00 C ATOM 692 O THR A 50 3.658 9.678 -2.620 1.00 0.00 O ATOM 693 CB THR A 50 4.079 9.203 -5.886 1.00 0.00 C ATOM 694 OG1 THR A 50 3.584 7.947 -6.311 1.00 0.00 O ATOM 695 CG2 THR A 50 4.884 9.788 -7.028 1.00 0.00 C ATOM 0 H THR A 50 5.582 7.104 -4.320 1.00 0.00 H new ATOM 0 HA THR A 50 5.411 9.994 -4.396 1.00 0.00 H new ATOM 0 HB THR A 50 3.265 9.887 -5.647 1.00 0.00 H new ATOM 0 HG1 THR A 50 3.073 8.060 -7.139 1.00 0.00 H new ATOM 0 HG21 THR A 50 4.256 9.861 -7.916 1.00 0.00 H new ATOM 0 HG22 THR A 50 5.239 10.781 -6.752 1.00 0.00 H new ATOM 0 HG23 THR A 50 5.737 9.144 -7.239 1.00 0.00 H new ATOM 703 N LYS A 51 3.453 7.556 -3.338 1.00 0.00 N ATOM 704 CA LYS A 51 2.542 7.166 -2.268 1.00 0.00 C ATOM 705 C LYS A 51 3.314 6.706 -1.036 1.00 0.00 C ATOM 706 O LYS A 51 3.974 5.668 -1.057 1.00 0.00 O ATOM 707 CB LYS A 51 1.608 6.052 -2.745 1.00 0.00 C ATOM 708 CG LYS A 51 0.729 6.456 -3.917 1.00 0.00 C ATOM 709 CD LYS A 51 -0.524 5.596 -3.999 1.00 0.00 C ATOM 710 CE LYS A 51 -1.774 6.443 -4.178 1.00 0.00 C ATOM 711 NZ LYS A 51 -2.664 5.902 -5.242 1.00 0.00 N ATOM 0 H LYS A 51 3.675 6.809 -3.996 1.00 0.00 H new ATOM 0 HA LYS A 51 1.947 8.038 -1.996 1.00 0.00 H new ATOM 0 HB2 LYS A 51 2.205 5.186 -3.031 1.00 0.00 H new ATOM 0 HB3 LYS A 51 0.973 5.741 -1.915 1.00 0.00 H new ATOM 0 HG2 LYS A 51 0.446 7.504 -3.816 1.00 0.00 H new ATOM 0 HG3 LYS A 51 1.294 6.366 -4.845 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -0.434 4.899 -4.832 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -0.616 4.998 -3.092 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -2.320 6.488 -3.236 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -1.488 7.464 -4.429 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -3.505 6.508 -5.333 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -2.152 5.883 -6.147 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -2.958 4.937 -4.991 1.00 0.00 H new ATOM 725 N ALA A 52 3.226 7.488 0.035 1.00 0.00 N ATOM 726 CA ALA A 52 3.917 7.161 1.277 1.00 0.00 C ATOM 727 C ALA A 52 2.930 7.007 2.429 1.00 0.00 C ATOM 728 O ALA A 52 1.987 7.786 2.559 1.00 0.00 O ATOM 729 CB ALA A 52 4.948 8.231 1.603 1.00 0.00 C ATOM 0 H ALA A 52 2.684 8.351 0.068 1.00 0.00 H new ATOM 0 HA ALA A 52 4.428 6.208 1.141 1.00 0.00 H new ATOM 0 HB1 ALA A 52 5.457 7.975 2.532 1.00 0.00 H new ATOM 0 HB2 ALA A 52 5.677 8.292 0.795 1.00 0.00 H new ATOM 0 HB3 ALA A 52 4.450 9.194 1.715 1.00 0.00 H new ATOM 735 N GLY A 53 3.154 5.995 3.262 1.00 0.00 N ATOM 736 CA GLY A 53 2.276 5.757 4.391 1.00 0.00 C ATOM 737 C GLY A 53 2.976 5.041 5.530 1.00 0.00 C ATOM 738 O GLY A 53 4.166 4.734 5.440 1.00 0.00 O ATOM 0 H GLY A 53 3.928 5.336 3.174 1.00 0.00 H new ATOM 0 HA2 GLY A 53 1.885 6.709 4.750 1.00 0.00 H new ATOM 0 HA3 GLY A 53 1.422 5.164 4.064 1.00 0.00 H new ATOM 742 N VAL A 54 2.238 4.774 6.602 1.00 0.00 N ATOM 743 CA VAL A 54 2.797 4.090 7.763 1.00 0.00 C ATOM 744 C VAL A 54 2.278 2.659 7.858 1.00 0.00 C ATOM 745 O VAL A 54 1.092 2.403 7.651 1.00 0.00 O ATOM 746 CB VAL A 54 2.462 4.834 9.070 1.00 0.00 C ATOM 747 CG1 VAL A 54 3.215 4.223 10.242 1.00 0.00 C ATOM 748 CG2 VAL A 54 2.780 6.315 8.936 1.00 0.00 C ATOM 0 H VAL A 54 1.252 5.020 6.691 1.00 0.00 H new ATOM 0 HA VAL A 54 3.879 4.075 7.631 1.00 0.00 H new ATOM 0 HB VAL A 54 1.394 4.730 9.262 1.00 0.00 H new ATOM 0 HG11 VAL A 54 2.965 4.762 11.156 1.00 0.00 H new ATOM 0 HG12 VAL A 54 2.933 3.176 10.350 1.00 0.00 H new ATOM 0 HG13 VAL A 54 4.288 4.293 10.061 1.00 0.00 H new ATOM 0 HG21 VAL A 54 2.537 6.825 9.868 1.00 0.00 H new ATOM 0 HG22 VAL A 54 3.841 6.441 8.719 1.00 0.00 H new ATOM 0 HG23 VAL A 54 2.190 6.742 8.125 1.00 0.00 H new ATOM 758 N VAL A 55 3.175 1.731 8.174 1.00 0.00 N ATOM 759 CA VAL A 55 2.807 0.325 8.297 1.00 0.00 C ATOM 760 C VAL A 55 1.841 0.111 9.458 1.00 0.00 C ATOM 761 O VAL A 55 2.169 0.389 10.611 1.00 0.00 O ATOM 762 CB VAL A 55 4.049 -0.564 8.505 1.00 0.00 C ATOM 763 CG1 VAL A 55 3.665 -2.036 8.478 1.00 0.00 C ATOM 764 CG2 VAL A 55 5.106 -0.263 7.454 1.00 0.00 C ATOM 0 H VAL A 55 4.161 1.927 8.349 1.00 0.00 H new ATOM 0 HA VAL A 55 2.319 0.041 7.365 1.00 0.00 H new ATOM 0 HB VAL A 55 4.471 -0.340 9.485 1.00 0.00 H new ATOM 0 HG11 VAL A 55 4.555 -2.647 8.627 1.00 0.00 H new ATOM 0 HG12 VAL A 55 2.948 -2.240 9.274 1.00 0.00 H new ATOM 0 HG13 VAL A 55 3.216 -2.277 7.515 1.00 0.00 H new ATOM 0 HG21 VAL A 55 5.974 -0.901 7.618 1.00 0.00 H new ATOM 0 HG22 VAL A 55 4.697 -0.455 6.462 1.00 0.00 H new ATOM 0 HG23 VAL A 55 5.405 0.783 7.528 1.00 0.00 H new ATOM 774 N ARG A 56 0.648 -0.384 9.144 1.00 0.00 N ATOM 775 CA ARG A 56 -0.367 -0.636 10.160 1.00 0.00 C ATOM 776 C ARG A 56 -0.624 -2.131 10.313 1.00 0.00 C ATOM 777 O ARG A 56 -0.872 -2.619 11.416 1.00 0.00 O ATOM 778 CB ARG A 56 -1.669 0.083 9.799 1.00 0.00 C ATOM 779 CG ARG A 56 -1.607 1.589 9.992 1.00 0.00 C ATOM 780 CD ARG A 56 -2.139 1.999 11.356 1.00 0.00 C ATOM 781 NE ARG A 56 -1.699 3.339 11.735 1.00 0.00 N ATOM 782 CZ ARG A 56 -0.488 3.614 12.216 1.00 0.00 C ATOM 783 NH1 ARG A 56 0.404 2.645 12.379 1.00 0.00 N ATOM 784 NH2 ARG A 56 -0.169 4.861 12.535 1.00 0.00 N ATOM 0 H ARG A 56 0.361 -0.618 8.194 1.00 0.00 H new ATOM 0 HA ARG A 56 0.002 -0.250 11.110 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -1.916 -0.132 8.759 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -2.478 -0.320 10.409 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -0.577 1.928 9.885 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -2.187 2.081 9.211 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -3.228 1.965 11.345 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -1.805 1.282 12.106 1.00 0.00 H new ATOM 0 HE ARG A 56 -2.358 4.110 11.625 1.00 0.00 H new ATOM 0 HH11 ARG A 56 0.163 1.684 12.135 1.00 0.00 H new ATOM 0 HH12 ARG A 56 1.330 2.861 12.748 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -0.851 5.609 12.412 1.00 0.00 H new ATOM 0 HH22 ARG A 56 0.758 5.072 12.903 1.00 0.00 H new ATOM 798 N PHE A 57 -0.567 -2.853 9.199 1.00 0.00 N ATOM 799 CA PHE A 57 -0.794 -4.293 9.208 1.00 0.00 C ATOM 800 C PHE A 57 0.312 -5.024 8.456 1.00 0.00 C ATOM 801 O PHE A 57 1.011 -4.434 7.632 1.00 0.00 O ATOM 802 CB PHE A 57 -2.153 -4.617 8.582 1.00 0.00 C ATOM 803 CG PHE A 57 -2.491 -6.080 8.602 1.00 0.00 C ATOM 804 CD1 PHE A 57 -2.855 -6.705 9.784 1.00 0.00 C ATOM 805 CD2 PHE A 57 -2.445 -6.831 7.438 1.00 0.00 C ATOM 806 CE1 PHE A 57 -3.168 -8.051 9.805 1.00 0.00 C ATOM 807 CE2 PHE A 57 -2.755 -8.177 7.453 1.00 0.00 C ATOM 808 CZ PHE A 57 -3.118 -8.788 8.638 1.00 0.00 C ATOM 0 H PHE A 57 -0.365 -2.464 8.278 1.00 0.00 H new ATOM 0 HA PHE A 57 -0.787 -4.631 10.244 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -2.929 -4.066 9.114 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -2.162 -4.265 7.551 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -2.895 -6.134 10.700 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -2.164 -6.358 6.509 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -3.451 -8.526 10.733 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -2.714 -8.751 6.539 1.00 0.00 H new ATOM 0 HZ PHE A 57 -3.362 -9.840 8.652 1.00 0.00 H new ATOM 818 N LEU A 58 0.465 -6.313 8.744 1.00 0.00 N ATOM 819 CA LEU A 58 1.488 -7.124 8.094 1.00 0.00 C ATOM 820 C LEU A 58 1.129 -8.605 8.159 1.00 0.00 C ATOM 821 O LEU A 58 1.253 -9.239 9.207 1.00 0.00 O ATOM 822 CB LEU A 58 2.850 -6.888 8.749 1.00 0.00 C ATOM 823 CG LEU A 58 4.018 -7.634 8.100 1.00 0.00 C ATOM 824 CD1 LEU A 58 4.666 -6.777 7.025 1.00 0.00 C ATOM 825 CD2 LEU A 58 5.041 -8.039 9.151 1.00 0.00 C ATOM 0 H LEU A 58 -0.106 -6.817 9.422 1.00 0.00 H new ATOM 0 HA LEU A 58 1.541 -6.826 7.047 1.00 0.00 H new ATOM 0 HB2 LEU A 58 3.065 -5.820 8.730 1.00 0.00 H new ATOM 0 HB3 LEU A 58 2.788 -7.182 9.797 1.00 0.00 H new ATOM 0 HG LEU A 58 3.632 -8.539 7.630 1.00 0.00 H new ATOM 0 HD11 LEU A 58 5.495 -7.323 6.574 1.00 0.00 H new ATOM 0 HD12 LEU A 58 3.930 -6.537 6.258 1.00 0.00 H new ATOM 0 HD13 LEU A 58 5.039 -5.855 7.471 1.00 0.00 H new ATOM 0 HD21 LEU A 58 5.865 -8.568 8.672 1.00 0.00 H new ATOM 0 HD22 LEU A 58 5.423 -7.148 9.649 1.00 0.00 H new ATOM 0 HD23 LEU A 58 4.569 -8.691 9.886 1.00 0.00 H new ATOM 837 N GLY A 59 0.685 -9.151 7.031 1.00 0.00 N ATOM 838 CA GLY A 59 0.315 -10.553 6.982 1.00 0.00 C ATOM 839 C GLY A 59 -0.110 -10.993 5.594 1.00 0.00 C ATOM 840 O GLY A 59 0.232 -10.351 4.601 1.00 0.00 O ATOM 0 H GLY A 59 0.575 -8.648 6.151 1.00 0.00 H new ATOM 0 HA2 GLY A 59 1.159 -11.160 7.310 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -0.500 -10.735 7.683 1.00 0.00 H new ATOM 844 N GLU A 60 -0.856 -12.090 5.526 1.00 0.00 N ATOM 845 CA GLU A 60 -1.328 -12.615 4.251 1.00 0.00 C ATOM 846 C GLU A 60 -2.659 -11.980 3.859 1.00 0.00 C ATOM 847 O GLU A 60 -3.467 -11.627 4.719 1.00 0.00 O ATOM 848 CB GLU A 60 -1.477 -14.136 4.325 1.00 0.00 C ATOM 849 CG GLU A 60 -0.240 -14.892 3.867 1.00 0.00 C ATOM 850 CD GLU A 60 -0.580 -16.181 3.144 1.00 0.00 C ATOM 851 OE1 GLU A 60 -1.466 -16.917 3.628 1.00 0.00 O ATOM 852 OE2 GLU A 60 0.041 -16.455 2.096 1.00 0.00 O ATOM 0 H GLU A 60 -1.147 -12.633 6.339 1.00 0.00 H new ATOM 0 HA GLU A 60 -0.589 -12.366 3.489 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -1.707 -14.421 5.352 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -2.326 -14.440 3.712 1.00 0.00 H new ATOM 0 HG2 GLU A 60 0.348 -14.254 3.207 1.00 0.00 H new ATOM 0 HG3 GLU A 60 0.384 -15.118 4.732 1.00 0.00 H new ATOM 859 N THR A 61 -2.880 -11.838 2.556 1.00 0.00 N ATOM 860 CA THR A 61 -4.113 -11.246 2.051 1.00 0.00 C ATOM 861 C THR A 61 -5.112 -12.327 1.654 1.00 0.00 C ATOM 862 O THR A 61 -4.829 -13.520 1.767 1.00 0.00 O ATOM 863 CB THR A 61 -3.816 -10.343 0.852 1.00 0.00 C ATOM 864 OG1 THR A 61 -2.655 -10.785 0.168 1.00 0.00 O ATOM 865 CG2 THR A 61 -3.601 -8.895 1.233 1.00 0.00 C ATOM 0 H THR A 61 -2.222 -12.125 1.831 1.00 0.00 H new ATOM 0 HA THR A 61 -4.552 -10.646 2.848 1.00 0.00 H new ATOM 0 HB THR A 61 -4.698 -10.407 0.215 1.00 0.00 H new ATOM 0 HG1 THR A 61 -2.089 -10.015 -0.047 1.00 0.00 H new ATOM 0 HG21 THR A 61 -3.395 -8.310 0.337 1.00 0.00 H new ATOM 0 HG22 THR A 61 -4.497 -8.510 1.720 1.00 0.00 H new ATOM 0 HG23 THR A 61 -2.756 -8.820 1.917 1.00 0.00 H new ATOM 873 N ASP A 62 -6.283 -11.903 1.189 1.00 0.00 N ATOM 874 CA ASP A 62 -7.325 -12.836 0.775 1.00 0.00 C ATOM 875 C ASP A 62 -7.509 -12.811 -0.739 1.00 0.00 C ATOM 876 O ASP A 62 -7.866 -13.820 -1.348 1.00 0.00 O ATOM 877 CB ASP A 62 -8.647 -12.497 1.469 1.00 0.00 C ATOM 878 CG ASP A 62 -9.338 -13.724 2.028 1.00 0.00 C ATOM 879 OD1 ASP A 62 -9.058 -14.838 1.538 1.00 0.00 O ATOM 880 OD2 ASP A 62 -10.160 -13.571 2.957 1.00 0.00 O ATOM 0 H ASP A 62 -6.534 -10.919 1.089 1.00 0.00 H new ATOM 0 HA ASP A 62 -7.016 -13.840 1.067 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -8.459 -11.790 2.277 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -9.310 -12.002 0.760 1.00 0.00 H new ATOM 885 N PHE A 63 -7.263 -11.652 -1.342 1.00 0.00 N ATOM 886 CA PHE A 63 -7.402 -11.497 -2.785 1.00 0.00 C ATOM 887 C PHE A 63 -6.162 -12.010 -3.511 1.00 0.00 C ATOM 888 O PHE A 63 -6.265 -12.687 -4.534 1.00 0.00 O ATOM 889 CB PHE A 63 -7.643 -10.029 -3.141 1.00 0.00 C ATOM 890 CG PHE A 63 -6.656 -9.089 -2.510 1.00 0.00 C ATOM 891 CD1 PHE A 63 -5.424 -8.859 -3.102 1.00 0.00 C ATOM 892 CD2 PHE A 63 -6.960 -8.436 -1.326 1.00 0.00 C ATOM 893 CE1 PHE A 63 -4.513 -7.995 -2.524 1.00 0.00 C ATOM 894 CE2 PHE A 63 -6.053 -7.570 -0.744 1.00 0.00 C ATOM 895 CZ PHE A 63 -4.829 -7.349 -1.343 1.00 0.00 C ATOM 0 H PHE A 63 -6.967 -10.807 -0.854 1.00 0.00 H new ATOM 0 HA PHE A 63 -8.260 -12.088 -3.106 1.00 0.00 H new ATOM 0 HB2 PHE A 63 -7.600 -9.914 -4.224 1.00 0.00 H new ATOM 0 HB3 PHE A 63 -8.649 -9.749 -2.830 1.00 0.00 H new ATOM 0 HD1 PHE A 63 -5.173 -9.360 -4.025 1.00 0.00 H new ATOM 0 HD2 PHE A 63 -7.916 -8.605 -0.853 1.00 0.00 H new ATOM 0 HE1 PHE A 63 -3.556 -7.825 -2.994 1.00 0.00 H new ATOM 0 HE2 PHE A 63 -6.302 -7.067 0.179 1.00 0.00 H new ATOM 0 HZ PHE A 63 -4.119 -6.673 -0.890 1.00 0.00 H new ATOM 905 N ALA A 64 -4.991 -11.681 -2.976 1.00 0.00 N ATOM 906 CA ALA A 64 -3.731 -12.108 -3.573 1.00 0.00 C ATOM 907 C ALA A 64 -3.312 -13.477 -3.050 1.00 0.00 C ATOM 908 O ALA A 64 -4.026 -14.098 -2.262 1.00 0.00 O ATOM 909 CB ALA A 64 -2.644 -11.080 -3.299 1.00 0.00 C ATOM 0 H ALA A 64 -4.888 -11.120 -2.130 1.00 0.00 H new ATOM 0 HA ALA A 64 -3.876 -12.189 -4.650 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -1.708 -11.411 -3.750 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -2.934 -10.121 -3.727 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -2.509 -10.971 -2.223 1.00 0.00 H new ATOM 915 N LYS A 65 -2.149 -13.944 -3.494 1.00 0.00 N ATOM 916 CA LYS A 65 -1.632 -15.240 -3.072 1.00 0.00 C ATOM 917 C LYS A 65 -0.288 -15.097 -2.355 1.00 0.00 C ATOM 918 O LYS A 65 0.272 -16.080 -1.872 1.00 0.00 O ATOM 919 CB LYS A 65 -1.484 -16.170 -4.279 1.00 0.00 C ATOM 920 CG LYS A 65 -2.549 -17.252 -4.348 1.00 0.00 C ATOM 921 CD LYS A 65 -2.282 -18.225 -5.484 1.00 0.00 C ATOM 922 CE LYS A 65 -3.570 -18.641 -6.177 1.00 0.00 C ATOM 923 NZ LYS A 65 -4.009 -20.003 -5.764 1.00 0.00 N ATOM 0 H LYS A 65 -1.547 -13.443 -4.147 1.00 0.00 H new ATOM 0 HA LYS A 65 -2.346 -15.672 -2.371 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -1.522 -15.576 -5.192 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -0.501 -16.641 -4.246 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -2.580 -17.794 -3.403 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -3.528 -16.792 -4.484 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -1.610 -17.764 -6.208 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -1.775 -19.108 -5.096 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -4.355 -17.921 -5.946 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -3.425 -18.619 -7.257 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -4.890 -20.249 -6.259 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -3.271 -20.694 -6.007 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -4.173 -20.018 -4.737 1.00 0.00 H new ATOM 937 N GLY A 66 0.225 -13.871 -2.289 1.00 0.00 N ATOM 938 CA GLY A 66 1.496 -13.635 -1.628 1.00 0.00 C ATOM 939 C GLY A 66 1.344 -12.837 -0.349 1.00 0.00 C ATOM 940 O GLY A 66 0.229 -12.592 0.110 1.00 0.00 O ATOM 0 H GLY A 66 -0.216 -13.039 -2.681 1.00 0.00 H new ATOM 0 HA2 GLY A 66 1.968 -14.591 -1.402 1.00 0.00 H new ATOM 0 HA3 GLY A 66 2.162 -13.103 -2.307 1.00 0.00 H new ATOM 944 N GLU A 67 2.470 -12.430 0.229 1.00 0.00 N ATOM 945 CA GLU A 67 2.458 -11.656 1.465 1.00 0.00 C ATOM 946 C GLU A 67 2.287 -10.168 1.173 1.00 0.00 C ATOM 947 O GLU A 67 3.083 -9.572 0.447 1.00 0.00 O ATOM 948 CB GLU A 67 3.751 -11.887 2.249 1.00 0.00 C ATOM 949 CG GLU A 67 3.564 -11.834 3.757 1.00 0.00 C ATOM 950 CD GLU A 67 4.813 -12.242 4.514 1.00 0.00 C ATOM 951 OE1 GLU A 67 5.585 -13.068 3.982 1.00 0.00 O ATOM 952 OE2 GLU A 67 5.018 -11.738 5.637 1.00 0.00 O ATOM 0 H GLU A 67 3.402 -12.623 -0.139 1.00 0.00 H new ATOM 0 HA GLU A 67 1.612 -11.991 2.065 1.00 0.00 H new ATOM 0 HB2 GLU A 67 4.163 -12.858 1.976 1.00 0.00 H new ATOM 0 HB3 GLU A 67 4.484 -11.136 1.955 1.00 0.00 H new ATOM 0 HG2 GLU A 67 3.281 -10.823 4.049 1.00 0.00 H new ATOM 0 HG3 GLU A 67 2.741 -12.490 4.041 1.00 0.00 H new ATOM 959 N TRP A 68 1.245 -9.574 1.745 1.00 0.00 N ATOM 960 CA TRP A 68 0.970 -8.155 1.548 1.00 0.00 C ATOM 961 C TRP A 68 1.008 -7.405 2.875 1.00 0.00 C ATOM 962 O TRP A 68 0.647 -7.949 3.918 1.00 0.00 O ATOM 963 CB TRP A 68 -0.394 -7.966 0.882 1.00 0.00 C ATOM 964 CG TRP A 68 -0.403 -8.340 -0.569 1.00 0.00 C ATOM 965 CD1 TRP A 68 -0.097 -9.559 -1.103 1.00 0.00 C ATOM 966 CD2 TRP A 68 -0.735 -7.490 -1.673 1.00 0.00 C ATOM 967 NE1 TRP A 68 -0.218 -9.518 -2.471 1.00 0.00 N ATOM 968 CE2 TRP A 68 -0.609 -8.259 -2.845 1.00 0.00 C ATOM 969 CE3 TRP A 68 -1.129 -6.153 -1.783 1.00 0.00 C ATOM 970 CZ2 TRP A 68 -0.862 -7.735 -4.110 1.00 0.00 C ATOM 971 CZ3 TRP A 68 -1.378 -5.634 -3.040 1.00 0.00 C ATOM 972 CH2 TRP A 68 -1.244 -6.424 -4.189 1.00 0.00 C ATOM 0 H TRP A 68 0.577 -10.053 2.349 1.00 0.00 H new ATOM 0 HA TRP A 68 1.744 -7.747 0.898 1.00 0.00 H new ATOM 0 HB2 TRP A 68 -1.134 -8.567 1.409 1.00 0.00 H new ATOM 0 HB3 TRP A 68 -0.699 -6.924 0.983 1.00 0.00 H new ATOM 0 HD1 TRP A 68 0.197 -10.428 -0.533 1.00 0.00 H new ATOM 0 HE1 TRP A 68 -0.045 -10.298 -3.105 1.00 0.00 H new ATOM 0 HE3 TRP A 68 -1.237 -5.537 -0.902 1.00 0.00 H new ATOM 0 HZ2 TRP A 68 -0.760 -8.342 -4.997 1.00 0.00 H new ATOM 0 HZ3 TRP A 68 -1.681 -4.602 -3.138 1.00 0.00 H new ATOM 0 HH2 TRP A 68 -1.446 -5.989 -5.157 1.00 0.00 H new ATOM 983 N CYS A 69 1.448 -6.151 2.829 1.00 0.00 N ATOM 984 CA CYS A 69 1.533 -5.326 4.028 1.00 0.00 C ATOM 985 C CYS A 69 0.534 -4.176 3.970 1.00 0.00 C ATOM 986 O CYS A 69 0.640 -3.290 3.123 1.00 0.00 O ATOM 987 CB CYS A 69 2.951 -4.776 4.194 1.00 0.00 C ATOM 988 SG CYS A 69 3.274 -4.045 5.816 1.00 0.00 S ATOM 0 H CYS A 69 1.751 -5.685 1.974 1.00 0.00 H new ATOM 0 HA CYS A 69 1.290 -5.952 4.887 1.00 0.00 H new ATOM 0 HB2 CYS A 69 3.664 -5.582 4.022 1.00 0.00 H new ATOM 0 HB3 CYS A 69 3.129 -4.023 3.426 1.00 0.00 H new ATOM 0 HG CYS A 69 2.157 -3.931 6.471 1.00 0.00 H new ATOM 994 N GLY A 70 -0.438 -4.198 4.877 1.00 0.00 N ATOM 995 CA GLY A 70 -1.443 -3.152 4.911 1.00 0.00 C ATOM 996 C GLY A 70 -0.891 -1.835 5.420 1.00 0.00 C ATOM 997 O GLY A 70 -0.777 -1.627 6.629 1.00 0.00 O ATOM 0 H GLY A 70 -0.547 -4.921 5.588 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -1.849 -3.010 3.910 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -2.269 -3.467 5.548 1.00 0.00 H new ATOM 1001 N VAL A 71 -0.547 -0.943 4.497 1.00 0.00 N ATOM 1002 CA VAL A 71 -0.004 0.361 4.859 1.00 0.00 C ATOM 1003 C VAL A 71 -1.070 1.447 4.762 1.00 0.00 C ATOM 1004 O VAL A 71 -1.861 1.472 3.819 1.00 0.00 O ATOM 1005 CB VAL A 71 1.185 0.745 3.959 1.00 0.00 C ATOM 1006 CG1 VAL A 71 1.862 2.005 4.474 1.00 0.00 C ATOM 1007 CG2 VAL A 71 2.178 -0.404 3.867 1.00 0.00 C ATOM 0 H VAL A 71 -0.635 -1.099 3.493 1.00 0.00 H new ATOM 0 HA VAL A 71 0.340 0.284 5.890 1.00 0.00 H new ATOM 0 HB VAL A 71 0.807 0.949 2.957 1.00 0.00 H new ATOM 0 HG11 VAL A 71 2.699 2.260 3.824 1.00 0.00 H new ATOM 0 HG12 VAL A 71 1.145 2.826 4.481 1.00 0.00 H new ATOM 0 HG13 VAL A 71 2.227 1.834 5.487 1.00 0.00 H new ATOM 0 HG21 VAL A 71 3.011 -0.114 3.227 1.00 0.00 H new ATOM 0 HG22 VAL A 71 2.551 -0.643 4.863 1.00 0.00 H new ATOM 0 HG23 VAL A 71 1.684 -1.279 3.445 1.00 0.00 H new ATOM 1017 N GLU A 72 -1.087 2.342 5.744 1.00 0.00 N ATOM 1018 CA GLU A 72 -2.057 3.430 5.771 1.00 0.00 C ATOM 1019 C GLU A 72 -1.421 4.737 5.307 1.00 0.00 C ATOM 1020 O GLU A 72 -0.439 5.200 5.886 1.00 0.00 O ATOM 1021 CB GLU A 72 -2.627 3.599 7.180 1.00 0.00 C ATOM 1022 CG GLU A 72 -3.673 4.698 7.286 1.00 0.00 C ATOM 1023 CD GLU A 72 -3.316 5.748 8.319 1.00 0.00 C ATOM 1024 OE1 GLU A 72 -2.111 6.038 8.478 1.00 0.00 O ATOM 1025 OE2 GLU A 72 -4.240 6.282 8.968 1.00 0.00 O ATOM 0 H GLU A 72 -0.439 2.335 6.532 1.00 0.00 H new ATOM 0 HA GLU A 72 -2.867 3.178 5.087 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -3.070 2.656 7.499 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -1.811 3.818 7.869 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -3.791 5.176 6.314 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -4.635 4.255 7.542 1.00 0.00 H new ATOM 1032 N LEU A 73 -1.987 5.325 4.259 1.00 0.00 N ATOM 1033 CA LEU A 73 -1.476 6.579 3.718 1.00 0.00 C ATOM 1034 C LEU A 73 -1.933 7.763 4.564 1.00 0.00 C ATOM 1035 O LEU A 73 -2.868 7.648 5.356 1.00 0.00 O ATOM 1036 CB LEU A 73 -1.941 6.761 2.271 1.00 0.00 C ATOM 1037 CG LEU A 73 -1.911 5.493 1.416 1.00 0.00 C ATOM 1038 CD1 LEU A 73 -2.402 5.787 0.007 1.00 0.00 C ATOM 1039 CD2 LEU A 73 -0.506 4.910 1.381 1.00 0.00 C ATOM 0 H LEU A 73 -2.800 4.954 3.767 1.00 0.00 H new ATOM 0 HA LEU A 73 -0.387 6.539 3.740 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -2.959 7.151 2.279 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -1.314 7.516 1.796 1.00 0.00 H new ATOM 0 HG LEU A 73 -2.579 4.758 1.865 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -2.373 4.873 -0.586 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -3.425 6.161 0.049 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -1.760 6.538 -0.453 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -0.501 4.008 0.769 1.00 0.00 H new ATOM 0 HD22 LEU A 73 0.181 5.641 0.955 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -0.190 4.662 2.394 1.00 0.00 H new ATOM 1051 N ASP A 74 -1.266 8.900 4.391 1.00 0.00 N ATOM 1052 CA ASP A 74 -1.604 10.105 5.139 1.00 0.00 C ATOM 1053 C ASP A 74 -2.650 10.930 4.397 1.00 0.00 C ATOM 1054 O ASP A 74 -3.502 11.571 5.012 1.00 0.00 O ATOM 1055 CB ASP A 74 -0.351 10.948 5.384 1.00 0.00 C ATOM 1056 CG ASP A 74 -0.353 11.604 6.750 1.00 0.00 C ATOM 1057 OD1 ASP A 74 -0.214 10.878 7.758 1.00 0.00 O ATOM 1058 OD2 ASP A 74 -0.494 12.843 6.813 1.00 0.00 O ATOM 0 H ASP A 74 -0.489 9.012 3.740 1.00 0.00 H new ATOM 0 HA ASP A 74 -2.021 9.801 6.099 1.00 0.00 H new ATOM 0 HB2 ASP A 74 0.532 10.317 5.289 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -0.278 11.717 4.615 1.00 0.00 H new ATOM 1063 N GLU A 75 -2.578 10.910 3.070 1.00 0.00 N ATOM 1064 CA GLU A 75 -3.519 11.656 2.242 1.00 0.00 C ATOM 1065 C GLU A 75 -4.613 10.741 1.703 1.00 0.00 C ATOM 1066 O GLU A 75 -4.461 9.519 1.686 1.00 0.00 O ATOM 1067 CB GLU A 75 -2.784 12.331 1.081 1.00 0.00 C ATOM 1068 CG GLU A 75 -2.246 13.711 1.422 1.00 0.00 C ATOM 1069 CD GLU A 75 -1.115 14.136 0.506 1.00 0.00 C ATOM 1070 OE1 GLU A 75 -1.048 13.626 -0.632 1.00 0.00 O ATOM 1071 OE2 GLU A 75 -0.298 14.982 0.926 1.00 0.00 O ATOM 0 H GLU A 75 -1.878 10.386 2.545 1.00 0.00 H new ATOM 0 HA GLU A 75 -3.984 12.421 2.863 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -1.956 11.695 0.767 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -3.462 12.414 0.232 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -3.055 14.439 1.357 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -1.895 13.716 2.454 1.00 0.00 H new ATOM 1078 N PRO A 76 -5.739 11.322 1.252 1.00 0.00 N ATOM 1079 CA PRO A 76 -6.862 10.552 0.709 1.00 0.00 C ATOM 1080 C PRO A 76 -6.517 9.885 -0.619 1.00 0.00 C ATOM 1081 O PRO A 76 -6.747 10.452 -1.687 1.00 0.00 O ATOM 1082 CB PRO A 76 -7.957 11.604 0.510 1.00 0.00 C ATOM 1083 CG PRO A 76 -7.223 12.892 0.366 1.00 0.00 C ATOM 1084 CD PRO A 76 -6.003 12.773 1.235 1.00 0.00 C ATOM 0 HA PRO A 76 -7.154 9.737 1.371 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -8.557 11.389 -0.375 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -8.640 11.630 1.359 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -6.946 13.069 -0.673 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -7.844 13.732 0.678 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -5.161 13.330 0.825 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -6.184 13.161 2.238 1.00 0.00 H new ATOM 1092 N LEU A 77 -5.965 8.679 -0.544 1.00 0.00 N ATOM 1093 CA LEU A 77 -5.588 7.936 -1.740 1.00 0.00 C ATOM 1094 C LEU A 77 -5.706 6.432 -1.508 1.00 0.00 C ATOM 1095 O LEU A 77 -4.961 5.644 -2.089 1.00 0.00 O ATOM 1096 CB LEU A 77 -4.158 8.287 -2.155 1.00 0.00 C ATOM 1097 CG LEU A 77 -3.938 9.751 -2.542 1.00 0.00 C ATOM 1098 CD1 LEU A 77 -2.453 10.057 -2.651 1.00 0.00 C ATOM 1099 CD2 LEU A 77 -4.648 10.069 -3.849 1.00 0.00 C ATOM 0 H LEU A 77 -5.769 8.195 0.332 1.00 0.00 H new ATOM 0 HA LEU A 77 -6.272 8.217 -2.541 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -3.486 8.039 -1.333 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -3.876 7.657 -2.999 1.00 0.00 H new ATOM 0 HG LEU A 77 -4.361 10.381 -1.760 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -2.316 11.103 -2.927 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -1.971 9.869 -1.691 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -2.005 9.419 -3.413 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -4.481 11.114 -4.109 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -4.256 9.431 -4.641 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -5.717 9.890 -3.735 1.00 0.00 H new ATOM 1111 N GLY A 78 -6.649 6.043 -0.656 1.00 0.00 N ATOM 1112 CA GLY A 78 -6.849 4.636 -0.364 1.00 0.00 C ATOM 1113 C GLY A 78 -7.966 4.025 -1.187 1.00 0.00 C ATOM 1114 O GLY A 78 -8.766 4.741 -1.787 1.00 0.00 O ATOM 0 H GLY A 78 -7.278 6.677 -0.163 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -5.923 4.094 -0.555 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -7.076 4.517 0.695 1.00 0.00 H new ATOM 1118 N LYS A 79 -8.020 2.697 -1.214 1.00 0.00 N ATOM 1119 CA LYS A 79 -9.047 1.990 -1.969 1.00 0.00 C ATOM 1120 C LYS A 79 -10.141 1.468 -1.042 1.00 0.00 C ATOM 1121 O LYS A 79 -11.326 1.520 -1.372 1.00 0.00 O ATOM 1122 CB LYS A 79 -8.429 0.829 -2.751 1.00 0.00 C ATOM 1123 CG LYS A 79 -9.239 0.415 -3.968 1.00 0.00 C ATOM 1124 CD LYS A 79 -10.282 -0.632 -3.613 1.00 0.00 C ATOM 1125 CE LYS A 79 -11.131 -1.004 -4.818 1.00 0.00 C ATOM 1126 NZ LYS A 79 -12.267 -1.890 -4.443 1.00 0.00 N ATOM 0 H LYS A 79 -7.365 2.090 -0.722 1.00 0.00 H new ATOM 0 HA LYS A 79 -9.494 2.694 -2.671 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -7.426 1.111 -3.071 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -8.322 -0.029 -2.087 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -9.730 1.290 -4.394 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -8.571 0.020 -4.734 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -9.788 -1.523 -3.226 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -10.924 -0.253 -2.818 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -11.516 -0.097 -5.285 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -10.509 -1.505 -5.560 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -12.822 -2.121 -5.292 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -11.899 -2.766 -4.021 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -12.875 -1.402 -3.754 1.00 0.00 H new ATOM 1140 N ASN A 80 -9.734 0.967 0.120 1.00 0.00 N ATOM 1141 CA ASN A 80 -10.678 0.437 1.096 1.00 0.00 C ATOM 1142 C ASN A 80 -10.466 1.079 2.463 1.00 0.00 C ATOM 1143 O ASN A 80 -9.508 1.825 2.667 1.00 0.00 O ATOM 1144 CB ASN A 80 -10.532 -1.082 1.205 1.00 0.00 C ATOM 1145 CG ASN A 80 -9.107 -1.505 1.503 1.00 0.00 C ATOM 1146 OD1 ASN A 80 -8.662 -1.468 2.650 1.00 0.00 O ATOM 1147 ND2 ASN A 80 -8.381 -1.910 0.466 1.00 0.00 N ATOM 0 H ASN A 80 -8.757 0.917 0.408 1.00 0.00 H new ATOM 0 HA ASN A 80 -11.686 0.675 0.756 1.00 0.00 H new ATOM 0 HB2 ASN A 80 -11.190 -1.452 1.991 1.00 0.00 H new ATOM 0 HB3 ASN A 80 -10.858 -1.544 0.273 1.00 0.00 H new ATOM 0 HD21 ASN A 80 -7.415 -2.206 0.604 1.00 0.00 H new ATOM 0 HD22 ASN A 80 -8.790 -1.925 -0.468 1.00 0.00 H new ATOM 1154 N ASP A 81 -11.367 0.786 3.395 1.00 0.00 N ATOM 1155 CA ASP A 81 -11.277 1.336 4.743 1.00 0.00 C ATOM 1156 C ASP A 81 -10.654 0.326 5.702 1.00 0.00 C ATOM 1157 O ASP A 81 -10.982 0.298 6.888 1.00 0.00 O ATOM 1158 CB ASP A 81 -12.664 1.745 5.243 1.00 0.00 C ATOM 1159 CG ASP A 81 -13.684 0.633 5.094 1.00 0.00 C ATOM 1160 OD1 ASP A 81 -13.823 -0.176 6.036 1.00 0.00 O ATOM 1161 OD2 ASP A 81 -14.344 0.571 4.036 1.00 0.00 O ATOM 0 H ASP A 81 -12.167 0.172 3.242 1.00 0.00 H new ATOM 0 HA ASP A 81 -10.637 2.218 4.707 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -12.598 2.036 6.291 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -13.003 2.621 4.690 1.00 0.00 H new ATOM 1166 N GLY A 82 -9.755 -0.500 5.179 1.00 0.00 N ATOM 1167 CA GLY A 82 -9.101 -1.500 6.003 1.00 0.00 C ATOM 1168 C GLY A 82 -9.690 -2.885 5.815 1.00 0.00 C ATOM 1169 O GLY A 82 -9.004 -3.889 6.005 1.00 0.00 O ATOM 0 H GLY A 82 -9.467 -0.495 4.200 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -8.038 -1.525 5.763 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -9.184 -1.213 7.051 1.00 0.00 H new ATOM 1173 N ALA A 83 -10.964 -2.938 5.439 1.00 0.00 N ATOM 1174 CA ALA A 83 -11.645 -4.209 5.225 1.00 0.00 C ATOM 1175 C ALA A 83 -11.738 -4.537 3.739 1.00 0.00 C ATOM 1176 O ALA A 83 -11.948 -3.652 2.910 1.00 0.00 O ATOM 1177 CB ALA A 83 -13.031 -4.176 5.851 1.00 0.00 C ATOM 0 H ALA A 83 -11.545 -2.116 5.276 1.00 0.00 H new ATOM 0 HA ALA A 83 -11.061 -4.993 5.706 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -13.529 -5.131 5.684 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -12.942 -3.996 6.922 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -13.617 -3.377 5.396 1.00 0.00 H new ATOM 1183 N VAL A 84 -11.583 -5.815 3.410 1.00 0.00 N ATOM 1184 CA VAL A 84 -11.651 -6.261 2.023 1.00 0.00 C ATOM 1185 C VAL A 84 -12.485 -7.531 1.893 1.00 0.00 C ATOM 1186 O VAL A 84 -12.223 -8.529 2.565 1.00 0.00 O ATOM 1187 CB VAL A 84 -10.247 -6.522 1.448 1.00 0.00 C ATOM 1188 CG1 VAL A 84 -10.323 -6.790 -0.047 1.00 0.00 C ATOM 1189 CG2 VAL A 84 -9.324 -5.349 1.742 1.00 0.00 C ATOM 0 H VAL A 84 -11.409 -6.560 4.085 1.00 0.00 H new ATOM 0 HA VAL A 84 -12.125 -5.459 1.457 1.00 0.00 H new ATOM 0 HB VAL A 84 -9.835 -7.408 1.931 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -9.321 -6.972 -0.435 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -10.947 -7.665 -0.229 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -10.755 -5.925 -0.550 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -8.336 -5.551 1.328 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -9.729 -4.444 1.289 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -9.244 -5.210 2.820 1.00 0.00 H new ATOM 1199 N ALA A 85 -13.489 -7.487 1.024 1.00 0.00 N ATOM 1200 CA ALA A 85 -14.362 -8.634 0.805 1.00 0.00 C ATOM 1201 C ALA A 85 -15.035 -9.070 2.104 1.00 0.00 C ATOM 1202 O ALA A 85 -15.355 -10.245 2.284 1.00 0.00 O ATOM 1203 CB ALA A 85 -13.575 -9.788 0.204 1.00 0.00 C ATOM 0 H ALA A 85 -13.718 -6.669 0.460 1.00 0.00 H new ATOM 0 HA ALA A 85 -15.143 -8.336 0.105 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -14.239 -10.638 0.046 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -13.147 -9.479 -0.750 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -12.774 -10.076 0.885 1.00 0.00 H new ATOM 1209 N GLY A 86 -15.248 -8.116 3.004 1.00 0.00 N ATOM 1210 CA GLY A 86 -15.881 -8.422 4.274 1.00 0.00 C ATOM 1211 C GLY A 86 -14.875 -8.653 5.385 1.00 0.00 C ATOM 1212 O GLY A 86 -15.174 -8.429 6.557 1.00 0.00 O ATOM 0 H GLY A 86 -14.994 -7.136 2.877 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -16.543 -7.602 4.553 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -16.503 -9.310 4.161 1.00 0.00 H new ATOM 1216 N THR A 87 -13.680 -9.102 5.014 1.00 0.00 N ATOM 1217 CA THR A 87 -12.626 -9.365 5.989 1.00 0.00 C ATOM 1218 C THR A 87 -11.985 -8.063 6.460 1.00 0.00 C ATOM 1219 O THR A 87 -11.719 -7.165 5.662 1.00 0.00 O ATOM 1220 CB THR A 87 -11.562 -10.282 5.386 1.00 0.00 C ATOM 1221 OG1 THR A 87 -12.157 -11.441 4.830 1.00 0.00 O ATOM 1222 CG2 THR A 87 -10.524 -10.734 6.389 1.00 0.00 C ATOM 0 H THR A 87 -13.417 -9.291 4.047 1.00 0.00 H new ATOM 0 HA THR A 87 -13.076 -9.860 6.850 1.00 0.00 H new ATOM 0 HB THR A 87 -11.067 -9.686 4.620 1.00 0.00 H new ATOM 0 HG1 THR A 87 -11.461 -12.015 4.447 1.00 0.00 H new ATOM 0 HG21 THR A 87 -9.799 -11.382 5.896 1.00 0.00 H new ATOM 0 HG22 THR A 87 -10.012 -9.864 6.800 1.00 0.00 H new ATOM 0 HG23 THR A 87 -11.011 -11.283 7.195 1.00 0.00 H new ATOM 1230 N ARG A 88 -11.738 -7.970 7.763 1.00 0.00 N ATOM 1231 CA ARG A 88 -11.126 -6.779 8.342 1.00 0.00 C ATOM 1232 C ARG A 88 -9.636 -6.995 8.582 1.00 0.00 C ATOM 1233 O ARG A 88 -9.215 -8.071 9.011 1.00 0.00 O ATOM 1234 CB ARG A 88 -11.820 -6.411 9.656 1.00 0.00 C ATOM 1235 CG ARG A 88 -12.054 -4.917 9.822 1.00 0.00 C ATOM 1236 CD ARG A 88 -13.486 -4.618 10.236 1.00 0.00 C ATOM 1237 NE ARG A 88 -13.692 -4.808 11.669 1.00 0.00 N ATOM 1238 CZ ARG A 88 -14.888 -4.967 12.232 1.00 0.00 C ATOM 1239 NH1 ARG A 88 -15.986 -4.957 11.487 1.00 0.00 N ATOM 1240 NH2 ARG A 88 -14.986 -5.135 13.543 1.00 0.00 N ATOM 0 H ARG A 88 -11.952 -8.705 8.437 1.00 0.00 H new ATOM 0 HA ARG A 88 -11.245 -5.958 7.634 1.00 0.00 H new ATOM 0 HB2 ARG A 88 -12.778 -6.929 9.709 1.00 0.00 H new ATOM 0 HB3 ARG A 88 -11.217 -6.771 10.489 1.00 0.00 H new ATOM 0 HG2 ARG A 88 -11.368 -4.522 10.571 1.00 0.00 H new ATOM 0 HG3 ARG A 88 -11.831 -4.407 8.885 1.00 0.00 H new ATOM 0 HD2 ARG A 88 -13.734 -3.591 9.967 1.00 0.00 H new ATOM 0 HD3 ARG A 88 -14.166 -5.266 9.683 1.00 0.00 H new ATOM 0 HE ARG A 88 -12.871 -4.820 12.274 1.00 0.00 H new ATOM 0 HH11 ARG A 88 -15.916 -4.827 10.478 1.00 0.00 H new ATOM 0 HH12 ARG A 88 -16.900 -5.079 11.924 1.00 0.00 H new ATOM 0 HH21 ARG A 88 -14.145 -5.142 14.120 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -15.902 -5.257 13.974 1.00 0.00 H new ATOM 1254 N TYR A 89 -8.841 -5.968 8.303 1.00 0.00 N ATOM 1255 CA TYR A 89 -7.396 -6.046 8.488 1.00 0.00 C ATOM 1256 C TYR A 89 -6.926 -5.039 9.534 1.00 0.00 C ATOM 1257 O TYR A 89 -6.478 -5.418 10.616 1.00 0.00 O ATOM 1258 CB TYR A 89 -6.677 -5.792 7.161 1.00 0.00 C ATOM 1259 CG TYR A 89 -6.883 -6.890 6.142 1.00 0.00 C ATOM 1260 CD1 TYR A 89 -7.979 -6.874 5.288 1.00 0.00 C ATOM 1261 CD2 TYR A 89 -5.983 -7.942 6.034 1.00 0.00 C ATOM 1262 CE1 TYR A 89 -8.172 -7.875 4.355 1.00 0.00 C ATOM 1263 CE2 TYR A 89 -6.168 -8.947 5.103 1.00 0.00 C ATOM 1264 CZ TYR A 89 -7.264 -8.909 4.267 1.00 0.00 C ATOM 1265 OH TYR A 89 -7.452 -9.909 3.340 1.00 0.00 O ATOM 0 H TYR A 89 -9.173 -5.071 7.948 1.00 0.00 H new ATOM 0 HA TYR A 89 -7.153 -7.049 8.840 1.00 0.00 H new ATOM 0 HB2 TYR A 89 -7.027 -4.849 6.742 1.00 0.00 H new ATOM 0 HB3 TYR A 89 -5.610 -5.680 7.351 1.00 0.00 H new ATOM 0 HD1 TYR A 89 -8.692 -6.066 5.355 1.00 0.00 H new ATOM 0 HD2 TYR A 89 -5.124 -7.976 6.688 1.00 0.00 H new ATOM 0 HE1 TYR A 89 -9.029 -7.848 3.699 1.00 0.00 H new ATOM 0 HE2 TYR A 89 -5.458 -9.758 5.031 1.00 0.00 H new ATOM 0 HH TYR A 89 -6.722 -10.560 3.408 1.00 0.00 H new ATOM 1275 N PHE A 90 -7.031 -3.756 9.204 1.00 0.00 N ATOM 1276 CA PHE A 90 -6.618 -2.696 10.116 1.00 0.00 C ATOM 1277 C PHE A 90 -7.648 -1.573 10.148 1.00 0.00 C ATOM 1278 O PHE A 90 -8.071 -1.074 9.104 1.00 0.00 O ATOM 1279 CB PHE A 90 -5.254 -2.141 9.698 1.00 0.00 C ATOM 1280 CG PHE A 90 -5.199 -1.704 8.262 1.00 0.00 C ATOM 1281 CD1 PHE A 90 -4.829 -2.595 7.268 1.00 0.00 C ATOM 1282 CD2 PHE A 90 -5.516 -0.402 7.908 1.00 0.00 C ATOM 1283 CE1 PHE A 90 -4.776 -2.196 5.946 1.00 0.00 C ATOM 1284 CE2 PHE A 90 -5.466 0.002 6.587 1.00 0.00 C ATOM 1285 CZ PHE A 90 -5.095 -0.896 5.605 1.00 0.00 C ATOM 0 H PHE A 90 -7.399 -3.425 8.312 1.00 0.00 H new ATOM 0 HA PHE A 90 -6.540 -3.121 11.117 1.00 0.00 H new ATOM 0 HB2 PHE A 90 -5.004 -1.294 10.337 1.00 0.00 H new ATOM 0 HB3 PHE A 90 -4.493 -2.903 9.867 1.00 0.00 H new ATOM 0 HD1 PHE A 90 -4.579 -3.613 7.529 1.00 0.00 H new ATOM 0 HD2 PHE A 90 -5.805 0.304 8.672 1.00 0.00 H new ATOM 0 HE1 PHE A 90 -4.485 -2.900 5.180 1.00 0.00 H new ATOM 0 HE2 PHE A 90 -5.717 1.019 6.323 1.00 0.00 H new ATOM 0 HZ PHE A 90 -5.054 -0.582 4.572 1.00 0.00 H new ATOM 1295 N GLN A 91 -8.050 -1.179 11.352 1.00 0.00 N ATOM 1296 CA GLN A 91 -9.033 -0.114 11.520 1.00 0.00 C ATOM 1297 C GLN A 91 -8.443 1.236 11.126 1.00 0.00 C ATOM 1298 O GLN A 91 -7.458 1.689 11.708 1.00 0.00 O ATOM 1299 CB GLN A 91 -9.524 -0.070 12.969 1.00 0.00 C ATOM 1300 CG GLN A 91 -10.959 -0.541 13.137 1.00 0.00 C ATOM 1301 CD GLN A 91 -11.969 0.545 12.827 1.00 0.00 C ATOM 1302 OE1 GLN A 91 -12.353 1.321 13.703 1.00 0.00 O ATOM 1303 NE2 GLN A 91 -12.406 0.607 11.574 1.00 0.00 N ATOM 0 H GLN A 91 -7.710 -1.581 12.226 1.00 0.00 H new ATOM 0 HA GLN A 91 -9.878 -0.324 10.865 1.00 0.00 H new ATOM 0 HB2 GLN A 91 -8.872 -0.690 13.584 1.00 0.00 H new ATOM 0 HB3 GLN A 91 -9.439 0.950 13.342 1.00 0.00 H new ATOM 0 HG2 GLN A 91 -11.136 -1.394 12.483 1.00 0.00 H new ATOM 0 HG3 GLN A 91 -11.106 -0.888 14.160 1.00 0.00 H new ATOM 0 HE21 GLN A 91 -12.061 -0.056 10.880 1.00 0.00 H new ATOM 0 HE22 GLN A 91 -13.087 1.318 11.306 1.00 0.00 H new ATOM 1312 N CYS A 92 -9.054 1.875 10.133 1.00 0.00 N ATOM 1313 CA CYS A 92 -8.591 3.175 9.661 1.00 0.00 C ATOM 1314 C CYS A 92 -9.720 3.936 8.974 1.00 0.00 C ATOM 1315 O CYS A 92 -10.819 3.410 8.797 1.00 0.00 O ATOM 1316 CB CYS A 92 -7.417 3.002 8.696 1.00 0.00 C ATOM 1317 SG CYS A 92 -5.809 2.848 9.511 1.00 0.00 S ATOM 0 H CYS A 92 -9.871 1.514 9.640 1.00 0.00 H new ATOM 0 HA CYS A 92 -8.260 3.751 10.525 1.00 0.00 H new ATOM 0 HB2 CYS A 92 -7.590 2.116 8.086 1.00 0.00 H new ATOM 0 HB3 CYS A 92 -7.389 3.855 8.018 1.00 0.00 H new ATOM 0 HG CYS A 92 -5.968 2.320 10.688 1.00 0.00 H new ATOM 1323 N GLN A 93 -9.442 5.177 8.590 1.00 0.00 N ATOM 1324 CA GLN A 93 -10.437 6.009 7.923 1.00 0.00 C ATOM 1325 C GLN A 93 -10.594 5.601 6.459 1.00 0.00 C ATOM 1326 O GLN A 93 -9.632 5.185 5.816 1.00 0.00 O ATOM 1327 CB GLN A 93 -10.040 7.485 8.011 1.00 0.00 C ATOM 1328 CG GLN A 93 -10.154 8.061 9.414 1.00 0.00 C ATOM 1329 CD GLN A 93 -11.025 9.302 9.468 1.00 0.00 C ATOM 1330 OE1 GLN A 93 -12.086 9.356 8.846 1.00 0.00 O ATOM 1331 NE2 GLN A 93 -10.579 10.307 10.213 1.00 0.00 N ATOM 0 H GLN A 93 -8.538 5.628 8.729 1.00 0.00 H new ATOM 0 HA GLN A 93 -11.392 5.865 8.428 1.00 0.00 H new ATOM 0 HB2 GLN A 93 -9.013 7.598 7.663 1.00 0.00 H new ATOM 0 HB3 GLN A 93 -10.671 8.064 7.337 1.00 0.00 H new ATOM 0 HG2 GLN A 93 -10.566 7.304 10.081 1.00 0.00 H new ATOM 0 HG3 GLN A 93 -9.158 8.304 9.784 1.00 0.00 H new ATOM 0 HE21 GLN A 93 -9.694 10.218 10.712 1.00 0.00 H new ATOM 0 HE22 GLN A 93 -11.122 11.167 10.287 1.00 0.00 H new ATOM 1340 N PRO A 94 -11.817 5.714 5.911 1.00 0.00 N ATOM 1341 CA PRO A 94 -12.094 5.354 4.516 1.00 0.00 C ATOM 1342 C PRO A 94 -11.196 6.102 3.536 1.00 0.00 C ATOM 1343 O PRO A 94 -10.825 7.252 3.773 1.00 0.00 O ATOM 1344 CB PRO A 94 -13.556 5.764 4.319 1.00 0.00 C ATOM 1345 CG PRO A 94 -14.138 5.783 5.689 1.00 0.00 C ATOM 1346 CD PRO A 94 -13.024 6.201 6.605 1.00 0.00 C ATOM 0 HA PRO A 94 -11.907 4.297 4.327 1.00 0.00 H new ATOM 0 HB2 PRO A 94 -13.631 6.742 3.845 1.00 0.00 H new ATOM 0 HB3 PRO A 94 -14.081 5.057 3.677 1.00 0.00 H new ATOM 0 HG2 PRO A 94 -14.974 6.480 5.748 1.00 0.00 H new ATOM 0 HG3 PRO A 94 -14.522 4.800 5.964 1.00 0.00 H new ATOM 0 HD2 PRO A 94 -13.000 7.282 6.743 1.00 0.00 H new ATOM 0 HD3 PRO A 94 -13.127 5.755 7.594 1.00 0.00 H new ATOM 1354 N LYS A 95 -10.852 5.443 2.434 1.00 0.00 N ATOM 1355 CA LYS A 95 -10.001 6.047 1.416 1.00 0.00 C ATOM 1356 C LYS A 95 -8.632 6.404 1.989 1.00 0.00 C ATOM 1357 O LYS A 95 -8.155 7.529 1.833 1.00 0.00 O ATOM 1358 CB LYS A 95 -10.669 7.297 0.839 1.00 0.00 C ATOM 1359 CG LYS A 95 -11.642 7.001 -0.290 1.00 0.00 C ATOM 1360 CD LYS A 95 -12.268 8.275 -0.835 1.00 0.00 C ATOM 1361 CE LYS A 95 -13.227 8.896 0.168 1.00 0.00 C ATOM 1362 NZ LYS A 95 -12.567 9.945 0.991 1.00 0.00 N ATOM 0 H LYS A 95 -11.150 4.490 2.224 1.00 0.00 H new ATOM 0 HA LYS A 95 -9.860 5.318 0.618 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -11.199 7.817 1.637 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -9.898 7.975 0.474 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -11.122 6.478 -1.092 1.00 0.00 H new ATOM 0 HG3 LYS A 95 -12.426 6.334 0.069 1.00 0.00 H new ATOM 0 HD2 LYS A 95 -11.484 8.991 -1.082 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -12.800 8.054 -1.760 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -14.075 9.330 -0.362 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -13.623 8.118 0.821 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -12.843 9.829 1.987 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 -11.534 9.855 0.905 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 -12.862 10.885 0.657 1.00 0.00 H new ATOM 1376 N TYR A 96 -8.005 5.438 2.651 1.00 0.00 N ATOM 1377 CA TYR A 96 -6.689 5.647 3.245 1.00 0.00 C ATOM 1378 C TYR A 96 -5.928 4.331 3.361 1.00 0.00 C ATOM 1379 O TYR A 96 -4.751 4.251 3.010 1.00 0.00 O ATOM 1380 CB TYR A 96 -6.828 6.294 4.625 1.00 0.00 C ATOM 1381 CG TYR A 96 -7.261 7.742 4.578 1.00 0.00 C ATOM 1382 CD1 TYR A 96 -6.401 8.729 4.113 1.00 0.00 C ATOM 1383 CD2 TYR A 96 -8.529 8.122 4.997 1.00 0.00 C ATOM 1384 CE1 TYR A 96 -6.793 10.053 4.068 1.00 0.00 C ATOM 1385 CE2 TYR A 96 -8.929 9.444 4.955 1.00 0.00 C ATOM 1386 CZ TYR A 96 -8.058 10.405 4.490 1.00 0.00 C ATOM 1387 OH TYR A 96 -8.452 11.722 4.447 1.00 0.00 O ATOM 0 H TYR A 96 -8.387 4.502 2.790 1.00 0.00 H new ATOM 0 HA TYR A 96 -6.125 6.314 2.593 1.00 0.00 H new ATOM 0 HB2 TYR A 96 -7.551 5.727 5.211 1.00 0.00 H new ATOM 0 HB3 TYR A 96 -5.873 6.227 5.146 1.00 0.00 H new ATOM 0 HD1 TYR A 96 -5.410 8.457 3.781 1.00 0.00 H new ATOM 0 HD2 TYR A 96 -9.214 7.371 5.362 1.00 0.00 H new ATOM 0 HE1 TYR A 96 -6.112 10.809 3.704 1.00 0.00 H new ATOM 0 HE2 TYR A 96 -9.919 9.722 5.285 1.00 0.00 H new ATOM 0 HH TYR A 96 -9.371 11.799 4.778 1.00 0.00 H new ATOM 1397 N GLY A 97 -6.609 3.301 3.852 1.00 0.00 N ATOM 1398 CA GLY A 97 -5.980 2.002 4.004 1.00 0.00 C ATOM 1399 C GLY A 97 -5.682 1.342 2.672 1.00 0.00 C ATOM 1400 O GLY A 97 -6.594 0.908 1.968 1.00 0.00 O ATOM 0 H GLY A 97 -7.584 3.342 4.147 1.00 0.00 H new ATOM 0 HA2 GLY A 97 -5.053 2.114 4.566 1.00 0.00 H new ATOM 0 HA3 GLY A 97 -6.631 1.353 4.590 1.00 0.00 H new ATOM 1404 N LEU A 98 -4.401 1.268 2.324 1.00 0.00 N ATOM 1405 CA LEU A 98 -3.985 0.657 1.066 1.00 0.00 C ATOM 1406 C LEU A 98 -3.167 -0.605 1.318 1.00 0.00 C ATOM 1407 O LEU A 98 -2.500 -0.730 2.345 1.00 0.00 O ATOM 1408 CB LEU A 98 -3.168 1.652 0.239 1.00 0.00 C ATOM 1409 CG LEU A 98 -3.071 1.329 -1.253 1.00 0.00 C ATOM 1410 CD1 LEU A 98 -4.386 1.637 -1.952 1.00 0.00 C ATOM 1411 CD2 LEU A 98 -1.930 2.105 -1.892 1.00 0.00 C ATOM 0 H LEU A 98 -3.634 1.623 2.895 1.00 0.00 H new ATOM 0 HA LEU A 98 -4.881 0.381 0.510 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -3.608 2.643 0.353 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -2.160 1.702 0.651 1.00 0.00 H new ATOM 0 HG LEU A 98 -2.866 0.264 -1.363 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -4.298 1.401 -3.013 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -5.182 1.036 -1.511 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -4.622 2.695 -1.834 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -1.875 1.863 -2.953 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -2.105 3.174 -1.772 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -0.991 1.834 -1.409 1.00 0.00 H new ATOM 1423 N PHE A 99 -3.224 -1.539 0.373 1.00 0.00 N ATOM 1424 CA PHE A 99 -2.489 -2.793 0.492 1.00 0.00 C ATOM 1425 C PHE A 99 -1.494 -2.953 -0.655 1.00 0.00 C ATOM 1426 O PHE A 99 -1.849 -2.793 -1.823 1.00 0.00 O ATOM 1427 CB PHE A 99 -3.459 -3.977 0.511 1.00 0.00 C ATOM 1428 CG PHE A 99 -3.795 -4.456 1.894 1.00 0.00 C ATOM 1429 CD1 PHE A 99 -2.843 -5.098 2.669 1.00 0.00 C ATOM 1430 CD2 PHE A 99 -5.062 -4.263 2.420 1.00 0.00 C ATOM 1431 CE1 PHE A 99 -3.149 -5.539 3.942 1.00 0.00 C ATOM 1432 CE2 PHE A 99 -5.374 -4.702 3.692 1.00 0.00 C ATOM 1433 CZ PHE A 99 -4.417 -5.342 4.454 1.00 0.00 C ATOM 0 H PHE A 99 -3.771 -1.451 -0.483 1.00 0.00 H new ATOM 0 HA PHE A 99 -1.934 -2.772 1.430 1.00 0.00 H new ATOM 0 HB2 PHE A 99 -4.379 -3.691 0.001 1.00 0.00 H new ATOM 0 HB3 PHE A 99 -3.024 -4.801 -0.054 1.00 0.00 H new ATOM 0 HD1 PHE A 99 -1.850 -5.256 2.274 1.00 0.00 H new ATOM 0 HD2 PHE A 99 -5.815 -3.763 1.828 1.00 0.00 H new ATOM 0 HE1 PHE A 99 -2.398 -6.037 4.536 1.00 0.00 H new ATOM 0 HE2 PHE A 99 -6.366 -4.545 4.090 1.00 0.00 H new ATOM 0 HZ PHE A 99 -4.659 -5.688 5.448 1.00 0.00 H new ATOM 1443 N ALA A 100 -0.250 -3.269 -0.313 1.00 0.00 N ATOM 1444 CA ALA A 100 0.794 -3.450 -1.314 1.00 0.00 C ATOM 1445 C ALA A 100 1.756 -4.566 -0.908 1.00 0.00 C ATOM 1446 O ALA A 100 2.020 -4.765 0.278 1.00 0.00 O ATOM 1447 CB ALA A 100 1.554 -2.149 -1.525 1.00 0.00 C ATOM 0 H ALA A 100 0.060 -3.405 0.649 1.00 0.00 H new ATOM 0 HA ALA A 100 0.318 -3.737 -2.252 1.00 0.00 H new ATOM 0 HB1 ALA A 100 2.331 -2.299 -2.275 1.00 0.00 H new ATOM 0 HB2 ALA A 100 0.865 -1.376 -1.866 1.00 0.00 H new ATOM 0 HB3 ALA A 100 2.012 -1.839 -0.586 1.00 0.00 H new ATOM 1453 N PRO A 101 2.295 -5.312 -1.890 1.00 0.00 N ATOM 1454 CA PRO A 101 3.230 -6.408 -1.620 1.00 0.00 C ATOM 1455 C PRO A 101 4.498 -5.925 -0.926 1.00 0.00 C ATOM 1456 O PRO A 101 5.103 -4.935 -1.339 1.00 0.00 O ATOM 1457 CB PRO A 101 3.563 -6.963 -3.012 1.00 0.00 C ATOM 1458 CG PRO A 101 2.490 -6.455 -3.910 1.00 0.00 C ATOM 1459 CD PRO A 101 2.038 -5.147 -3.329 1.00 0.00 C ATOM 0 HA PRO A 101 2.796 -7.150 -0.949 1.00 0.00 H new ATOM 0 HB2 PRO A 101 4.545 -6.626 -3.344 1.00 0.00 H new ATOM 0 HB3 PRO A 101 3.586 -8.053 -3.005 1.00 0.00 H new ATOM 0 HG2 PRO A 101 2.864 -6.321 -4.925 1.00 0.00 H new ATOM 0 HG3 PRO A 101 1.663 -7.162 -3.966 1.00 0.00 H new ATOM 0 HD2 PRO A 101 2.596 -4.308 -3.744 1.00 0.00 H new ATOM 0 HD3 PRO A 101 0.983 -4.960 -3.531 1.00 0.00 H new ATOM 1467 N VAL A 102 4.896 -6.627 0.130 1.00 0.00 N ATOM 1468 CA VAL A 102 6.094 -6.266 0.881 1.00 0.00 C ATOM 1469 C VAL A 102 7.314 -6.171 -0.030 1.00 0.00 C ATOM 1470 O VAL A 102 8.059 -5.191 0.015 1.00 0.00 O ATOM 1471 CB VAL A 102 6.382 -7.279 2.007 1.00 0.00 C ATOM 1472 CG1 VAL A 102 5.343 -7.163 3.110 1.00 0.00 C ATOM 1473 CG2 VAL A 102 6.429 -8.697 1.455 1.00 0.00 C ATOM 0 H VAL A 102 4.407 -7.449 0.485 1.00 0.00 H new ATOM 0 HA VAL A 102 5.902 -5.289 1.324 1.00 0.00 H new ATOM 0 HB VAL A 102 7.358 -7.049 2.434 1.00 0.00 H new ATOM 0 HG11 VAL A 102 5.564 -7.886 3.895 1.00 0.00 H new ATOM 0 HG12 VAL A 102 5.366 -6.156 3.527 1.00 0.00 H new ATOM 0 HG13 VAL A 102 4.353 -7.363 2.700 1.00 0.00 H new ATOM 0 HG21 VAL A 102 6.633 -9.396 2.266 1.00 0.00 H new ATOM 0 HG22 VAL A 102 5.470 -8.941 0.998 1.00 0.00 H new ATOM 0 HG23 VAL A 102 7.217 -8.770 0.706 1.00 0.00 H new ATOM 1483 N HIS A 103 7.514 -7.193 -0.857 1.00 0.00 N ATOM 1484 CA HIS A 103 8.647 -7.223 -1.777 1.00 0.00 C ATOM 1485 C HIS A 103 8.657 -5.989 -2.677 1.00 0.00 C ATOM 1486 O HIS A 103 9.707 -5.583 -3.176 1.00 0.00 O ATOM 1487 CB HIS A 103 8.606 -8.494 -2.630 1.00 0.00 C ATOM 1488 CG HIS A 103 7.436 -8.559 -3.562 1.00 0.00 C ATOM 1489 ND1 HIS A 103 7.550 -8.667 -4.929 1.00 0.00 N ATOM 1490 CD2 HIS A 103 6.104 -8.530 -3.298 1.00 0.00 C ATOM 1491 CE1 HIS A 103 6.312 -8.700 -5.444 1.00 0.00 C ATOM 1492 NE2 HIS A 103 5.400 -8.621 -4.495 1.00 0.00 N ATOM 0 H HIS A 103 6.907 -8.011 -0.909 1.00 0.00 H new ATOM 0 HA HIS A 103 9.562 -7.221 -1.184 1.00 0.00 H new ATOM 0 HB2 HIS A 103 9.526 -8.560 -3.211 1.00 0.00 H new ATOM 0 HB3 HIS A 103 8.582 -9.362 -1.971 1.00 0.00 H new ATOM 0 HD1 HIS A 103 8.421 -8.714 -5.457 1.00 0.00 H new ATOM 0 HD2 HIS A 103 5.662 -8.449 -2.316 1.00 0.00 H new ATOM 0 HE1 HIS A 103 6.091 -8.781 -6.498 1.00 0.00 H new ATOM 1500 N LYS A 104 7.484 -5.395 -2.879 1.00 0.00 N ATOM 1501 CA LYS A 104 7.364 -4.207 -3.717 1.00 0.00 C ATOM 1502 C LYS A 104 7.556 -2.936 -2.894 1.00 0.00 C ATOM 1503 O LYS A 104 7.947 -1.896 -3.424 1.00 0.00 O ATOM 1504 CB LYS A 104 5.998 -4.184 -4.409 1.00 0.00 C ATOM 1505 CG LYS A 104 6.086 -4.198 -5.927 1.00 0.00 C ATOM 1506 CD LYS A 104 4.983 -5.045 -6.541 1.00 0.00 C ATOM 1507 CE LYS A 104 5.021 -4.995 -8.060 1.00 0.00 C ATOM 1508 NZ LYS A 104 5.525 -6.269 -8.645 1.00 0.00 N ATOM 0 H LYS A 104 6.605 -5.717 -2.474 1.00 0.00 H new ATOM 0 HA LYS A 104 8.147 -4.245 -4.475 1.00 0.00 H new ATOM 0 HB2 LYS A 104 5.418 -5.046 -4.079 1.00 0.00 H new ATOM 0 HB3 LYS A 104 5.454 -3.294 -4.093 1.00 0.00 H new ATOM 0 HG2 LYS A 104 6.017 -3.178 -6.306 1.00 0.00 H new ATOM 0 HG3 LYS A 104 7.057 -4.586 -6.233 1.00 0.00 H new ATOM 0 HD2 LYS A 104 5.087 -6.077 -6.207 1.00 0.00 H new ATOM 0 HD3 LYS A 104 4.014 -4.693 -6.189 1.00 0.00 H new ATOM 0 HE2 LYS A 104 4.021 -4.791 -8.442 1.00 0.00 H new ATOM 0 HE3 LYS A 104 5.659 -4.171 -8.380 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 5.536 -6.194 -9.682 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 6.489 -6.451 -8.301 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 4.902 -7.052 -8.361 1.00 0.00 H new ATOM 1522 N VAL A 105 7.278 -3.025 -1.596 1.00 0.00 N ATOM 1523 CA VAL A 105 7.419 -1.880 -0.705 1.00 0.00 C ATOM 1524 C VAL A 105 8.866 -1.710 -0.253 1.00 0.00 C ATOM 1525 O VAL A 105 9.650 -2.659 -0.270 1.00 0.00 O ATOM 1526 CB VAL A 105 6.520 -2.019 0.537 1.00 0.00 C ATOM 1527 CG1 VAL A 105 6.529 -0.733 1.350 1.00 0.00 C ATOM 1528 CG2 VAL A 105 5.101 -2.394 0.131 1.00 0.00 C ATOM 0 H VAL A 105 6.954 -3.878 -1.139 1.00 0.00 H new ATOM 0 HA VAL A 105 7.111 -1.001 -1.271 1.00 0.00 H new ATOM 0 HB VAL A 105 6.917 -2.819 1.162 1.00 0.00 H new ATOM 0 HG11 VAL A 105 5.888 -0.850 2.224 1.00 0.00 H new ATOM 0 HG12 VAL A 105 7.547 -0.514 1.673 1.00 0.00 H new ATOM 0 HG13 VAL A 105 6.159 0.088 0.736 1.00 0.00 H new ATOM 0 HG21 VAL A 105 4.480 -2.488 1.022 1.00 0.00 H new ATOM 0 HG22 VAL A 105 4.691 -1.619 -0.517 1.00 0.00 H new ATOM 0 HG23 VAL A 105 5.114 -3.344 -0.403 1.00 0.00 H new ATOM 1538 N THR A 106 9.213 -0.492 0.153 1.00 0.00 N ATOM 1539 CA THR A 106 10.565 -0.195 0.612 1.00 0.00 C ATOM 1540 C THR A 106 10.536 0.536 1.950 1.00 0.00 C ATOM 1541 O THR A 106 9.499 1.057 2.361 1.00 0.00 O ATOM 1542 CB THR A 106 11.304 0.650 -0.428 1.00 0.00 C ATOM 1543 OG1 THR A 106 11.177 0.080 -1.719 1.00 0.00 O ATOM 1544 CG2 THR A 106 12.781 0.799 -0.136 1.00 0.00 C ATOM 0 H THR A 106 8.576 0.305 0.173 1.00 0.00 H new ATOM 0 HA THR A 106 11.093 -1.139 0.745 1.00 0.00 H new ATOM 0 HB THR A 106 10.839 1.635 -0.384 1.00 0.00 H new ATOM 0 HG1 THR A 106 11.655 0.635 -2.370 1.00 0.00 H new ATOM 0 HG21 THR A 106 13.245 1.409 -0.911 1.00 0.00 H new ATOM 0 HG22 THR A 106 12.914 1.281 0.833 1.00 0.00 H new ATOM 0 HG23 THR A 106 13.250 -0.185 -0.119 1.00 0.00 H new ATOM 1552 N LYS A 107 11.679 0.571 2.626 1.00 0.00 N ATOM 1553 CA LYS A 107 11.783 1.238 3.918 1.00 0.00 C ATOM 1554 C LYS A 107 12.453 2.601 3.775 1.00 0.00 C ATOM 1555 O LYS A 107 13.386 2.766 2.988 1.00 0.00 O ATOM 1556 CB LYS A 107 12.570 0.370 4.902 1.00 0.00 C ATOM 1557 CG LYS A 107 12.587 0.920 6.320 1.00 0.00 C ATOM 1558 CD LYS A 107 13.976 0.842 6.934 1.00 0.00 C ATOM 1559 CE LYS A 107 13.913 0.485 8.410 1.00 0.00 C ATOM 1560 NZ LYS A 107 13.434 -0.908 8.624 1.00 0.00 N ATOM 0 H LYS A 107 12.547 0.145 2.300 1.00 0.00 H new ATOM 0 HA LYS A 107 10.774 1.388 4.303 1.00 0.00 H new ATOM 0 HB2 LYS A 107 12.140 -0.631 4.915 1.00 0.00 H new ATOM 0 HB3 LYS A 107 13.596 0.272 4.547 1.00 0.00 H new ATOM 0 HG2 LYS A 107 12.249 1.956 6.313 1.00 0.00 H new ATOM 0 HG3 LYS A 107 11.884 0.360 6.937 1.00 0.00 H new ATOM 0 HD2 LYS A 107 14.568 0.097 6.403 1.00 0.00 H new ATOM 0 HD3 LYS A 107 14.484 1.799 6.811 1.00 0.00 H new ATOM 0 HE2 LYS A 107 14.902 0.601 8.854 1.00 0.00 H new ATOM 0 HE3 LYS A 107 13.249 1.180 8.924 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 13.760 -1.249 9.551 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 12.395 -0.926 8.594 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 13.812 -1.524 7.876 1.00 0.00 H new ATOM 1574 N ILE A 108 11.972 3.575 4.541 1.00 0.00 N ATOM 1575 CA ILE A 108 12.524 4.923 4.500 1.00 0.00 C ATOM 1576 C ILE A 108 12.349 5.628 5.841 1.00 0.00 C ATOM 1577 O ILE A 108 11.478 5.270 6.633 1.00 0.00 O ATOM 1578 CB ILE A 108 11.860 5.770 3.398 1.00 0.00 C ATOM 1579 CG1 ILE A 108 10.337 5.718 3.532 1.00 0.00 C ATOM 1580 CG2 ILE A 108 12.293 5.284 2.023 1.00 0.00 C ATOM 1581 CD1 ILE A 108 9.660 7.042 3.252 1.00 0.00 C ATOM 0 H ILE A 108 11.201 3.455 5.198 1.00 0.00 H new ATOM 0 HA ILE A 108 13.587 4.823 4.279 1.00 0.00 H new ATOM 0 HB ILE A 108 12.181 6.805 3.514 1.00 0.00 H new ATOM 0 HG12 ILE A 108 9.945 4.967 2.846 1.00 0.00 H new ATOM 0 HG13 ILE A 108 10.080 5.394 4.540 1.00 0.00 H new ATOM 0 HG21 ILE A 108 11.815 5.892 1.255 1.00 0.00 H new ATOM 0 HG22 ILE A 108 13.376 5.369 1.932 1.00 0.00 H new ATOM 0 HG23 ILE A 108 11.998 4.242 1.896 1.00 0.00 H new ATOM 0 HD11 ILE A 108 8.582 6.930 3.366 1.00 0.00 H new ATOM 0 HD12 ILE A 108 10.023 7.792 3.954 1.00 0.00 H new ATOM 0 HD13 ILE A 108 9.887 7.358 2.234 1.00 0.00 H new