USER MOD reduce.3.24.130724 H: found=0, std=0, add=736, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 0 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 Set 1.1: A 65 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 85 TYR OH : rot 137:sc= -4.31! USER MOD Set 2.1: A 28 SER OG : rot 131:sc= 0.123 USER MOD Set 2.2: A 77 TYR OH : rot 55:sc= -0.606! USER MOD Set 3.1: A 12 TYR OH : rot -151:sc= -1.4! USER MOD Set 3.2: A 14 ASN : amide:sc= -1.86 K(o=-4.5,f=-5.5!) USER MOD Set 3.3: A 53 GLN : amide:sc= -1.25 K(o=-4.5,f=-6.2!) USER MOD Single : A 8 ASN : amide:sc=-0.00945 K(o=-0.0094,f=-2.2) USER MOD Single : A 9 HIS : no HE2:sc= -2.02 K(o=-2,f=-6.2!) USER MOD Single : A 10 THR OG1 : rot 81:sc= -1.71 USER MOD Single : A 15 ASN : amide:sc= -0.327 K(o=-0.33,f=-2.9!) USER MOD Single : A 17 ASN : amide:sc= 0 K(o=0,f=-1.5) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 LYS NZ :NH3+ -150:sc= -0.0979 (180deg=-1.04) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 HIS : no HD1:sc= -3.36! C(o=-3.4!,f=-4!) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 38 GLN : amide:sc= 0 X(o=0,f=-0.039) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 47 SER OG : rot 180:sc= -0.992 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 MET CE :methyl -135:sc= -0.558 (180deg=-2.33!) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= -0.249 (180deg=-0.249) USER MOD Single : A 62 SER OG : rot 180:sc= -0.0248 USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 66 ASN : amide:sc= -0.122 X(o=-0.12,f=0.0027) USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 71 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 72 GLN : amide:sc= -0.431 X(o=-0.43,f=-0.03) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 MET CE :methyl 168:sc= -0.0481 (180deg=-0.222) USER MOD Single : A 84 GLN : amide:sc= -0.2 X(o=-0.2,f=-0.028) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 THR OG1 : rot 180:sc= 0.00276 USER MOD Single : A 90 SER OG : rot 90:sc= -2.59! USER MOD ----------------------------------------------------------------- ATOM 682 N PRO A 7 31.789 -3.556 -27.801 1.00 0.00 N ATOM 683 CA PRO A 7 30.912 -3.084 -26.714 1.00 0.00 C ATOM 684 C PRO A 7 31.207 -1.611 -26.390 1.00 0.00 C ATOM 685 O PRO A 7 32.366 -1.208 -26.297 1.00 0.00 O ATOM 686 CB PRO A 7 31.279 -3.987 -25.532 1.00 0.00 C ATOM 687 CG PRO A 7 32.702 -4.524 -25.815 1.00 0.00 C ATOM 688 CD PRO A 7 32.931 -4.381 -27.332 1.00 0.00 C ATOM 0 HA PRO A 7 29.853 -3.134 -26.967 1.00 0.00 H new ATOM 0 HB2 PRO A 7 31.254 -3.430 -24.596 1.00 0.00 H new ATOM 0 HB3 PRO A 7 30.567 -4.807 -25.434 1.00 0.00 H new ATOM 0 HG2 PRO A 7 33.448 -3.960 -25.255 1.00 0.00 H new ATOM 0 HG3 PRO A 7 32.792 -5.565 -25.506 1.00 0.00 H new ATOM 0 HD2 PRO A 7 33.885 -3.898 -27.546 1.00 0.00 H new ATOM 0 HD3 PRO A 7 32.948 -5.353 -27.825 1.00 0.00 H new ATOM 689 N ASN A 8 30.189 -0.795 -26.216 1.00 0.00 N ATOM 690 CA ASN A 8 30.434 0.641 -25.901 1.00 0.00 C ATOM 691 C ASN A 8 30.137 0.899 -24.415 1.00 0.00 C ATOM 692 O ASN A 8 29.634 0.024 -23.713 1.00 0.00 O ATOM 693 CB ASN A 8 29.518 1.514 -26.761 1.00 0.00 C ATOM 694 CG ASN A 8 30.104 1.635 -28.173 1.00 0.00 C ATOM 695 OD1 ASN A 8 30.662 0.673 -28.698 1.00 0.00 O ATOM 696 ND2 ASN A 8 30.010 2.768 -28.826 1.00 0.00 N ATOM 0 H ASN A 8 29.208 -1.065 -26.279 1.00 0.00 H new ATOM 0 HA ASN A 8 31.475 0.886 -26.111 1.00 0.00 H new ATOM 0 HB2 ASN A 8 28.520 1.078 -26.806 1.00 0.00 H new ATOM 0 HB3 ASN A 8 29.414 2.502 -26.313 1.00 0.00 H new ATOM 0 HD21 ASN A 8 30.399 2.849 -29.766 1.00 0.00 H new ATOM 0 HD22 ASN A 8 29.548 3.569 -28.395 1.00 0.00 H new ATOM 697 N HIS A 9 30.432 2.082 -23.919 1.00 0.00 N ATOM 698 CA HIS A 9 30.155 2.372 -22.475 1.00 0.00 C ATOM 699 C HIS A 9 28.661 2.681 -22.293 1.00 0.00 C ATOM 700 O HIS A 9 28.050 2.265 -21.309 1.00 0.00 O ATOM 701 CB HIS A 9 30.984 3.579 -22.012 1.00 0.00 C ATOM 702 CG HIS A 9 31.252 3.470 -20.535 1.00 0.00 C ATOM 703 ND1 HIS A 9 32.522 3.244 -20.030 1.00 0.00 N ATOM 704 CD2 HIS A 9 30.424 3.558 -19.443 1.00 0.00 C ATOM 705 CE1 HIS A 9 32.424 3.203 -18.689 1.00 0.00 C ATOM 706 NE2 HIS A 9 31.166 3.389 -18.278 1.00 0.00 N ATOM 0 H HIS A 9 30.848 2.850 -24.446 1.00 0.00 H new ATOM 0 HA HIS A 9 30.427 1.501 -21.878 1.00 0.00 H new ATOM 0 HB2 HIS A 9 31.925 3.619 -22.561 1.00 0.00 H new ATOM 0 HB3 HIS A 9 30.450 4.504 -22.228 1.00 0.00 H new ATOM 0 HD1 HIS A 9 33.376 3.130 -20.576 1.00 0.00 H new ATOM 0 HD2 HIS A 9 29.359 3.732 -19.482 1.00 0.00 H new ATOM 0 HE1 HIS A 9 33.260 3.040 -18.025 1.00 0.00 H new ATOM 707 N THR A 10 28.055 3.402 -23.212 1.00 0.00 N ATOM 708 CA THR A 10 26.606 3.727 -23.069 1.00 0.00 C ATOM 709 C THR A 10 25.790 2.905 -24.080 1.00 0.00 C ATOM 710 O THR A 10 26.306 2.483 -25.113 1.00 0.00 O ATOM 711 CB THR A 10 26.400 5.226 -23.337 1.00 0.00 C ATOM 712 OG1 THR A 10 27.127 5.977 -22.376 1.00 0.00 O ATOM 713 CG2 THR A 10 24.912 5.581 -23.241 1.00 0.00 C ATOM 0 H THR A 10 28.503 3.775 -24.049 1.00 0.00 H new ATOM 0 HA THR A 10 26.273 3.484 -22.060 1.00 0.00 H new ATOM 0 HB THR A 10 26.756 5.462 -24.340 1.00 0.00 H new ATOM 0 HG1 THR A 10 28.068 6.027 -22.644 1.00 0.00 H new ATOM 0 HG21 THR A 10 24.779 6.646 -23.433 1.00 0.00 H new ATOM 0 HG22 THR A 10 24.353 5.007 -23.979 1.00 0.00 H new ATOM 0 HG23 THR A 10 24.545 5.344 -22.242 1.00 0.00 H new ATOM 714 N ILE A 11 24.520 2.683 -23.812 1.00 0.00 N ATOM 715 CA ILE A 11 23.679 1.910 -24.768 1.00 0.00 C ATOM 716 C ILE A 11 22.610 2.849 -25.350 1.00 0.00 C ATOM 717 O ILE A 11 22.324 3.907 -24.783 1.00 0.00 O ATOM 718 CB ILE A 11 23.015 0.727 -24.053 1.00 0.00 C ATOM 719 CG1 ILE A 11 22.154 1.238 -22.897 1.00 0.00 C ATOM 720 CG2 ILE A 11 24.094 -0.213 -23.506 1.00 0.00 C ATOM 721 CD1 ILE A 11 21.195 0.135 -22.447 1.00 0.00 C ATOM 0 H ILE A 11 24.038 3.006 -22.973 1.00 0.00 H new ATOM 0 HA ILE A 11 24.300 1.515 -25.572 1.00 0.00 H new ATOM 0 HB ILE A 11 22.386 0.188 -24.761 1.00 0.00 H new ATOM 0 HG12 ILE A 11 22.788 1.544 -22.065 1.00 0.00 H new ATOM 0 HG13 ILE A 11 21.592 2.118 -23.210 1.00 0.00 H new ATOM 0 HG21 ILE A 11 23.621 -1.053 -22.998 1.00 0.00 H new ATOM 0 HG22 ILE A 11 24.705 -0.584 -24.329 1.00 0.00 H new ATOM 0 HG23 ILE A 11 24.725 0.328 -22.801 1.00 0.00 H new ATOM 0 HD11 ILE A 11 20.582 0.500 -21.623 1.00 0.00 H new ATOM 0 HD12 ILE A 11 20.552 -0.150 -23.280 1.00 0.00 H new ATOM 0 HD13 ILE A 11 21.767 -0.732 -22.117 1.00 0.00 H new ATOM 722 N TYR A 12 22.028 2.503 -26.476 1.00 0.00 N ATOM 723 CA TYR A 12 21.007 3.395 -27.099 1.00 0.00 C ATOM 724 C TYR A 12 19.702 2.609 -27.336 1.00 0.00 C ATOM 725 O TYR A 12 19.693 1.602 -28.039 1.00 0.00 O ATOM 726 CB TYR A 12 21.594 3.904 -28.430 1.00 0.00 C ATOM 727 CG TYR A 12 20.536 4.539 -29.305 1.00 0.00 C ATOM 728 CD1 TYR A 12 20.182 5.880 -29.123 1.00 0.00 C ATOM 729 CD2 TYR A 12 19.928 3.784 -30.315 1.00 0.00 C ATOM 730 CE1 TYR A 12 19.216 6.466 -29.949 1.00 0.00 C ATOM 731 CE2 TYR A 12 18.966 4.370 -31.143 1.00 0.00 C ATOM 732 CZ TYR A 12 18.609 5.712 -30.961 1.00 0.00 C ATOM 733 OH TYR A 12 17.664 6.291 -31.783 1.00 0.00 O ATOM 0 H TYR A 12 22.219 1.641 -26.987 1.00 0.00 H new ATOM 0 HA TYR A 12 20.770 4.237 -26.449 1.00 0.00 H new ATOM 0 HB2 TYR A 12 22.381 4.630 -28.226 1.00 0.00 H new ATOM 0 HB3 TYR A 12 22.057 3.074 -28.964 1.00 0.00 H new ATOM 0 HD1 TYR A 12 20.654 6.463 -28.346 1.00 0.00 H new ATOM 0 HD2 TYR A 12 20.202 2.749 -30.455 1.00 0.00 H new ATOM 0 HE1 TYR A 12 18.939 7.500 -29.806 1.00 0.00 H new ATOM 0 HE2 TYR A 12 18.498 3.788 -31.923 1.00 0.00 H new ATOM 0 HH TYR A 12 17.033 5.606 -32.089 1.00 0.00 H new ATOM 734 N ILE A 13 18.595 3.051 -26.772 1.00 0.00 N ATOM 735 CA ILE A 13 17.308 2.326 -26.986 1.00 0.00 C ATOM 736 C ILE A 13 16.501 3.047 -28.075 1.00 0.00 C ATOM 737 O ILE A 13 16.645 4.254 -28.263 1.00 0.00 O ATOM 738 CB ILE A 13 16.504 2.308 -25.684 1.00 0.00 C ATOM 739 CG1 ILE A 13 17.358 1.709 -24.558 1.00 0.00 C ATOM 740 CG2 ILE A 13 15.243 1.462 -25.877 1.00 0.00 C ATOM 741 CD1 ILE A 13 17.137 2.504 -23.270 1.00 0.00 C ATOM 0 H ILE A 13 18.534 3.878 -26.178 1.00 0.00 H new ATOM 0 HA ILE A 13 17.513 1.301 -27.295 1.00 0.00 H new ATOM 0 HB ILE A 13 16.222 3.327 -25.418 1.00 0.00 H new ATOM 0 HG12 ILE A 13 17.092 0.664 -24.402 1.00 0.00 H new ATOM 0 HG13 ILE A 13 18.412 1.732 -24.835 1.00 0.00 H new ATOM 0 HG21 ILE A 13 14.669 1.448 -24.951 1.00 0.00 H new ATOM 0 HG22 ILE A 13 14.635 1.891 -26.674 1.00 0.00 H new ATOM 0 HG23 ILE A 13 15.525 0.444 -26.144 1.00 0.00 H new ATOM 0 HD11 ILE A 13 17.744 2.078 -22.471 1.00 0.00 H new ATOM 0 HD12 ILE A 13 17.425 3.543 -23.430 1.00 0.00 H new ATOM 0 HD13 ILE A 13 16.085 2.458 -22.990 1.00 0.00 H new ATOM 742 N ASN A 14 15.659 2.342 -28.801 1.00 0.00 N ATOM 743 CA ASN A 14 14.866 3.008 -29.874 1.00 0.00 C ATOM 744 C ASN A 14 13.458 2.391 -29.938 1.00 0.00 C ATOM 745 O ASN A 14 13.237 1.279 -29.464 1.00 0.00 O ATOM 746 CB ASN A 14 15.576 2.807 -31.217 1.00 0.00 C ATOM 747 CG ASN A 14 14.894 3.649 -32.303 1.00 0.00 C ATOM 748 OD1 ASN A 14 15.304 4.777 -32.563 1.00 0.00 O ATOM 749 ND2 ASN A 14 13.869 3.163 -32.961 1.00 0.00 N ATOM 0 H ASN A 14 15.492 1.342 -28.693 1.00 0.00 H new ATOM 0 HA ASN A 14 14.779 4.073 -29.658 1.00 0.00 H new ATOM 0 HB2 ASN A 14 16.624 3.092 -31.129 1.00 0.00 H new ATOM 0 HB3 ASN A 14 15.554 1.753 -31.495 1.00 0.00 H new ATOM 0 HD21 ASN A 14 13.416 3.721 -33.685 1.00 0.00 H new ATOM 0 HD22 ASN A 14 13.524 2.227 -32.749 1.00 0.00 H new ATOM 750 N ASN A 15 12.498 3.087 -30.517 1.00 0.00 N ATOM 751 CA ASN A 15 11.107 2.536 -30.613 1.00 0.00 C ATOM 752 C ASN A 15 10.448 2.528 -29.226 1.00 0.00 C ATOM 753 O ASN A 15 10.245 1.471 -28.630 1.00 0.00 O ATOM 754 CB ASN A 15 11.135 1.109 -31.177 1.00 0.00 C ATOM 755 CG ASN A 15 9.837 0.839 -31.947 1.00 0.00 C ATOM 756 OD1 ASN A 15 9.162 1.774 -32.374 1.00 0.00 O ATOM 757 ND2 ASN A 15 9.444 -0.393 -32.154 1.00 0.00 N ATOM 0 H ASN A 15 12.622 4.013 -30.926 1.00 0.00 H new ATOM 0 HA ASN A 15 10.529 3.171 -31.284 1.00 0.00 H new ATOM 0 HB2 ASN A 15 11.994 0.984 -31.836 1.00 0.00 H new ATOM 0 HB3 ASN A 15 11.247 0.388 -30.367 1.00 0.00 H new ATOM 0 HD21 ASN A 15 8.581 -0.574 -32.667 1.00 0.00 H new ATOM 0 HD22 ASN A 15 10.001 -1.172 -31.802 1.00 0.00 H new ATOM 758 N LEU A 16 10.095 3.683 -28.699 1.00 0.00 N ATOM 759 CA LEU A 16 9.438 3.723 -27.362 1.00 0.00 C ATOM 760 C LEU A 16 8.089 4.450 -27.488 1.00 0.00 C ATOM 761 O LEU A 16 7.674 4.814 -28.587 1.00 0.00 O ATOM 762 CB LEU A 16 10.335 4.470 -26.370 1.00 0.00 C ATOM 763 CG LEU A 16 11.715 3.811 -26.330 1.00 0.00 C ATOM 764 CD1 LEU A 16 12.707 4.743 -25.633 1.00 0.00 C ATOM 765 CD2 LEU A 16 11.628 2.493 -25.557 1.00 0.00 C ATOM 0 H LEU A 16 10.236 4.592 -29.141 1.00 0.00 H new ATOM 0 HA LEU A 16 9.276 2.707 -27.001 1.00 0.00 H new ATOM 0 HB2 LEU A 16 10.428 5.515 -26.664 1.00 0.00 H new ATOM 0 HB3 LEU A 16 9.886 4.457 -25.377 1.00 0.00 H new ATOM 0 HG LEU A 16 12.053 3.616 -27.348 1.00 0.00 H new ATOM 0 HD11 LEU A 16 13.690 4.273 -25.605 1.00 0.00 H new ATOM 0 HD12 LEU A 16 12.770 5.683 -26.181 1.00 0.00 H new ATOM 0 HD13 LEU A 16 12.369 4.939 -24.615 1.00 0.00 H new ATOM 0 HD21 LEU A 16 12.611 2.023 -25.528 1.00 0.00 H new ATOM 0 HD22 LEU A 16 11.290 2.690 -24.540 1.00 0.00 H new ATOM 0 HD23 LEU A 16 10.921 1.827 -26.052 1.00 0.00 H new ATOM 766 N ASN A 17 7.393 4.676 -26.393 1.00 0.00 N ATOM 767 CA ASN A 17 6.075 5.384 -26.486 1.00 0.00 C ATOM 768 C ASN A 17 6.318 6.856 -26.841 1.00 0.00 C ATOM 769 O ASN A 17 7.336 7.436 -26.464 1.00 0.00 O ATOM 770 CB ASN A 17 5.328 5.301 -25.149 1.00 0.00 C ATOM 771 CG ASN A 17 3.818 5.399 -25.399 1.00 0.00 C ATOM 772 OD1 ASN A 17 3.316 6.461 -25.760 1.00 0.00 O ATOM 773 ND2 ASN A 17 3.057 4.346 -25.227 1.00 0.00 N ATOM 0 H ASN A 17 7.678 4.404 -25.452 1.00 0.00 H new ATOM 0 HA ASN A 17 5.470 4.908 -27.258 1.00 0.00 H new ATOM 0 HB2 ASN A 17 5.564 4.363 -24.646 1.00 0.00 H new ATOM 0 HB3 ASN A 17 5.651 6.106 -24.489 1.00 0.00 H new ATOM 0 HD21 ASN A 17 2.053 4.410 -25.393 1.00 0.00 H new ATOM 0 HD22 ASN A 17 3.469 3.462 -24.927 1.00 0.00 H new ATOM 774 N GLU A 18 5.412 7.477 -27.565 1.00 0.00 N ATOM 775 CA GLU A 18 5.613 8.908 -27.939 1.00 0.00 C ATOM 776 C GLU A 18 4.758 9.820 -27.040 1.00 0.00 C ATOM 777 O GLU A 18 4.253 10.846 -27.492 1.00 0.00 O ATOM 778 CB GLU A 18 5.204 9.106 -29.399 1.00 0.00 C ATOM 779 CG GLU A 18 6.388 8.776 -30.310 1.00 0.00 C ATOM 780 CD GLU A 18 5.892 8.592 -31.745 1.00 0.00 C ATOM 781 OE1 GLU A 18 5.200 9.472 -32.229 1.00 0.00 O ATOM 782 OE2 GLU A 18 6.212 7.573 -32.335 1.00 0.00 O ATOM 0 H GLU A 18 4.550 7.054 -27.909 1.00 0.00 H new ATOM 0 HA GLU A 18 6.663 9.168 -27.807 1.00 0.00 H new ATOM 0 HB2 GLU A 18 4.356 8.465 -29.640 1.00 0.00 H new ATOM 0 HB3 GLU A 18 4.882 10.135 -29.561 1.00 0.00 H new ATOM 0 HG2 GLU A 18 7.126 9.577 -30.269 1.00 0.00 H new ATOM 0 HG3 GLU A 18 6.883 7.868 -29.966 1.00 0.00 H new ATOM 783 N LYS A 19 4.586 9.481 -25.779 1.00 0.00 N ATOM 784 CA LYS A 19 3.768 10.351 -24.876 1.00 0.00 C ATOM 785 C LYS A 19 4.215 10.150 -23.417 1.00 0.00 C ATOM 786 O LYS A 19 3.389 10.118 -22.506 1.00 0.00 O ATOM 787 CB LYS A 19 2.290 9.975 -25.007 1.00 0.00 C ATOM 788 CG LYS A 19 1.851 10.132 -26.462 1.00 0.00 C ATOM 789 CD LYS A 19 0.330 9.998 -26.555 1.00 0.00 C ATOM 790 CE LYS A 19 -0.058 9.535 -27.960 1.00 0.00 C ATOM 791 NZ LYS A 19 -0.035 10.698 -28.892 1.00 0.00 N ATOM 0 H LYS A 19 4.975 8.645 -25.342 1.00 0.00 H new ATOM 0 HA LYS A 19 3.908 11.394 -25.159 1.00 0.00 H new ATOM 0 HB2 LYS A 19 2.135 8.947 -24.678 1.00 0.00 H new ATOM 0 HB3 LYS A 19 1.683 10.611 -24.362 1.00 0.00 H new ATOM 0 HG2 LYS A 19 2.165 11.103 -26.845 1.00 0.00 H new ATOM 0 HG3 LYS A 19 2.332 9.375 -27.081 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -0.028 9.284 -25.814 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -0.144 10.954 -26.332 1.00 0.00 H new ATOM 0 HE2 LYS A 19 0.633 8.766 -28.305 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -1.052 9.087 -27.945 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -0.299 10.383 -29.847 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -0.711 11.418 -28.566 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 0.921 11.106 -28.914 1.00 0.00 H new ATOM 792 N ILE A 20 5.499 9.996 -23.175 1.00 0.00 N ATOM 793 CA ILE A 20 5.975 9.778 -21.781 1.00 0.00 C ATOM 794 C ILE A 20 6.629 11.044 -21.233 1.00 0.00 C ATOM 795 O ILE A 20 7.105 11.892 -21.987 1.00 0.00 O ATOM 796 CB ILE A 20 7.002 8.638 -21.758 1.00 0.00 C ATOM 797 CG1 ILE A 20 6.497 7.433 -22.574 1.00 0.00 C ATOM 798 CG2 ILE A 20 7.246 8.210 -20.311 1.00 0.00 C ATOM 799 CD1 ILE A 20 5.062 7.078 -22.170 1.00 0.00 C ATOM 0 H ILE A 20 6.231 10.013 -23.885 1.00 0.00 H new ATOM 0 HA ILE A 20 5.116 9.521 -21.161 1.00 0.00 H new ATOM 0 HB ILE A 20 7.931 8.992 -22.204 1.00 0.00 H new ATOM 0 HG12 ILE A 20 6.535 7.665 -23.638 1.00 0.00 H new ATOM 0 HG13 ILE A 20 7.150 6.576 -22.411 1.00 0.00 H new ATOM 0 HG21 ILE A 20 7.975 7.400 -20.289 1.00 0.00 H new ATOM 0 HG22 ILE A 20 7.627 9.057 -19.740 1.00 0.00 H new ATOM 0 HG23 ILE A 20 6.310 7.867 -19.870 1.00 0.00 H new ATOM 0 HD11 ILE A 20 4.720 6.225 -22.756 1.00 0.00 H new ATOM 0 HD12 ILE A 20 5.034 6.825 -21.110 1.00 0.00 H new ATOM 0 HD13 ILE A 20 4.410 7.931 -22.357 1.00 0.00 H new ATOM 800 N LYS A 21 6.674 11.186 -19.928 1.00 0.00 N ATOM 801 CA LYS A 21 7.311 12.391 -19.341 1.00 0.00 C ATOM 802 C LYS A 21 8.795 12.099 -19.076 1.00 0.00 C ATOM 803 O LYS A 21 9.304 11.044 -19.452 1.00 0.00 O ATOM 804 CB LYS A 21 6.612 12.770 -18.026 1.00 0.00 C ATOM 805 CG LYS A 21 6.328 14.274 -18.003 1.00 0.00 C ATOM 806 CD LYS A 21 5.072 14.570 -18.826 1.00 0.00 C ATOM 807 CE LYS A 21 3.844 14.548 -17.913 1.00 0.00 C ATOM 808 NZ LYS A 21 3.238 13.187 -17.929 1.00 0.00 N ATOM 0 H LYS A 21 6.297 10.519 -19.254 1.00 0.00 H new ATOM 0 HA LYS A 21 7.220 13.224 -20.038 1.00 0.00 H new ATOM 0 HB2 LYS A 21 5.680 12.213 -17.925 1.00 0.00 H new ATOM 0 HB3 LYS A 21 7.240 12.496 -17.178 1.00 0.00 H new ATOM 0 HG2 LYS A 21 6.191 14.613 -16.976 1.00 0.00 H new ATOM 0 HG3 LYS A 21 7.179 14.822 -18.409 1.00 0.00 H new ATOM 0 HD2 LYS A 21 5.162 15.543 -19.308 1.00 0.00 H new ATOM 0 HD3 LYS A 21 4.962 13.830 -19.619 1.00 0.00 H new ATOM 0 HE2 LYS A 21 4.128 14.819 -16.896 1.00 0.00 H new ATOM 0 HE3 LYS A 21 3.115 15.286 -18.248 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 2.213 13.262 -17.770 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 3.414 12.739 -18.851 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 3.663 12.609 -17.177 1.00 0.00 H new ATOM 809 N LYS A 22 9.503 13.002 -18.435 1.00 0.00 N ATOM 810 CA LYS A 22 10.950 12.746 -18.155 1.00 0.00 C ATOM 811 C LYS A 22 11.090 11.973 -16.840 1.00 0.00 C ATOM 812 O LYS A 22 11.930 11.086 -16.723 1.00 0.00 O ATOM 813 CB LYS A 22 11.706 14.073 -18.044 1.00 0.00 C ATOM 814 CG LYS A 22 11.492 14.895 -19.316 1.00 0.00 C ATOM 815 CD LYS A 22 11.530 16.386 -18.974 1.00 0.00 C ATOM 816 CE LYS A 22 11.069 17.199 -20.185 1.00 0.00 C ATOM 817 NZ LYS A 22 10.715 18.580 -19.749 1.00 0.00 N ATOM 0 H LYS A 22 9.144 13.895 -18.098 1.00 0.00 H new ATOM 0 HA LYS A 22 11.370 12.160 -18.973 1.00 0.00 H new ATOM 0 HB2 LYS A 22 11.356 14.631 -17.176 1.00 0.00 H new ATOM 0 HB3 LYS A 22 12.769 13.886 -17.895 1.00 0.00 H new ATOM 0 HG2 LYS A 22 12.265 14.659 -20.048 1.00 0.00 H new ATOM 0 HG3 LYS A 22 10.534 14.640 -19.770 1.00 0.00 H new ATOM 0 HD2 LYS A 22 10.886 16.590 -18.119 1.00 0.00 H new ATOM 0 HD3 LYS A 22 12.540 16.679 -18.689 1.00 0.00 H new ATOM 0 HE2 LYS A 22 11.859 17.234 -20.935 1.00 0.00 H new ATOM 0 HE3 LYS A 22 10.207 16.721 -20.651 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 10.401 19.134 -20.571 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 9.948 18.537 -19.048 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 11.548 19.034 -19.323 1.00 0.00 H new ATOM 818 N ASP A 23 10.276 12.271 -15.854 1.00 0.00 N ATOM 819 CA ASP A 23 10.365 11.517 -14.570 1.00 0.00 C ATOM 820 C ASP A 23 9.677 10.148 -14.734 1.00 0.00 C ATOM 821 O ASP A 23 9.967 9.212 -13.991 1.00 0.00 O ATOM 822 CB ASP A 23 9.675 12.300 -13.444 1.00 0.00 C ATOM 823 CG ASP A 23 10.286 11.905 -12.098 1.00 0.00 C ATOM 824 OD1 ASP A 23 9.963 10.833 -11.615 1.00 0.00 O ATOM 825 OD2 ASP A 23 11.068 12.681 -11.573 1.00 0.00 O ATOM 0 H ASP A 23 9.561 12.998 -15.885 1.00 0.00 H new ATOM 0 HA ASP A 23 11.415 11.377 -14.313 1.00 0.00 H new ATOM 0 HB2 ASP A 23 9.791 13.371 -13.608 1.00 0.00 H new ATOM 0 HB3 ASP A 23 8.605 12.092 -13.445 1.00 0.00 H new ATOM 826 N GLU A 24 8.767 9.999 -15.686 1.00 0.00 N ATOM 827 CA GLU A 24 8.088 8.684 -15.858 1.00 0.00 C ATOM 828 C GLU A 24 8.962 7.740 -16.688 1.00 0.00 C ATOM 829 O GLU A 24 9.044 6.549 -16.393 1.00 0.00 O ATOM 830 CB GLU A 24 6.739 8.872 -16.564 1.00 0.00 C ATOM 831 CG GLU A 24 5.892 7.608 -16.398 1.00 0.00 C ATOM 832 CD GLU A 24 4.955 7.777 -15.200 1.00 0.00 C ATOM 833 OE1 GLU A 24 5.442 7.749 -14.082 1.00 0.00 O ATOM 834 OE2 GLU A 24 3.764 7.931 -15.421 1.00 0.00 O ATOM 0 H GLU A 24 8.477 10.729 -16.337 1.00 0.00 H new ATOM 0 HA GLU A 24 7.924 8.252 -14.871 1.00 0.00 H new ATOM 0 HB2 GLU A 24 6.215 9.731 -16.145 1.00 0.00 H new ATOM 0 HB3 GLU A 24 6.897 9.080 -17.622 1.00 0.00 H new ATOM 0 HG2 GLU A 24 5.313 7.423 -17.303 1.00 0.00 H new ATOM 0 HG3 GLU A 24 6.537 6.742 -16.250 1.00 0.00 H new ATOM 835 N LEU A 25 9.613 8.227 -17.721 1.00 0.00 N ATOM 836 CA LEU A 25 10.462 7.308 -18.543 1.00 0.00 C ATOM 837 C LEU A 25 11.786 7.003 -17.825 1.00 0.00 C ATOM 838 O LEU A 25 12.364 5.936 -18.021 1.00 0.00 O ATOM 839 CB LEU A 25 10.750 7.921 -19.915 1.00 0.00 C ATOM 840 CG LEU A 25 10.997 6.800 -20.926 1.00 0.00 C ATOM 841 CD1 LEU A 25 9.679 6.086 -21.235 1.00 0.00 C ATOM 842 CD2 LEU A 25 11.568 7.396 -22.213 1.00 0.00 C ATOM 0 H LEU A 25 9.594 9.201 -18.024 1.00 0.00 H new ATOM 0 HA LEU A 25 9.911 6.377 -18.679 1.00 0.00 H new ATOM 0 HB2 LEU A 25 9.909 8.537 -20.235 1.00 0.00 H new ATOM 0 HB3 LEU A 25 11.621 8.575 -19.859 1.00 0.00 H new ATOM 0 HG LEU A 25 11.705 6.084 -20.509 1.00 0.00 H new ATOM 0 HD11 LEU A 25 9.858 5.288 -21.956 1.00 0.00 H new ATOM 0 HD12 LEU A 25 9.271 5.662 -20.317 1.00 0.00 H new ATOM 0 HD13 LEU A 25 8.968 6.799 -21.652 1.00 0.00 H new ATOM 0 HD21 LEU A 25 11.745 6.599 -22.936 1.00 0.00 H new ATOM 0 HD22 LEU A 25 10.859 8.112 -22.629 1.00 0.00 H new ATOM 0 HD23 LEU A 25 12.508 7.902 -21.994 1.00 0.00 H new ATOM 843 N LYS A 26 12.283 7.891 -16.992 1.00 0.00 N ATOM 844 CA LYS A 26 13.558 7.598 -16.273 1.00 0.00 C ATOM 845 C LYS A 26 13.261 6.800 -14.990 1.00 0.00 C ATOM 846 O LYS A 26 14.125 6.081 -14.494 1.00 0.00 O ATOM 847 CB LYS A 26 14.275 8.906 -15.915 1.00 0.00 C ATOM 848 CG LYS A 26 15.667 8.595 -15.358 1.00 0.00 C ATOM 849 CD LYS A 26 16.007 9.588 -14.243 1.00 0.00 C ATOM 850 CE LYS A 26 17.476 9.429 -13.846 1.00 0.00 C ATOM 851 NZ LYS A 26 18.314 10.345 -14.671 1.00 0.00 N ATOM 0 H LYS A 26 11.862 8.796 -16.783 1.00 0.00 H new ATOM 0 HA LYS A 26 14.203 7.007 -16.924 1.00 0.00 H new ATOM 0 HB2 LYS A 26 14.359 9.539 -16.798 1.00 0.00 H new ATOM 0 HB3 LYS A 26 13.694 9.461 -15.179 1.00 0.00 H new ATOM 0 HG2 LYS A 26 15.696 7.576 -14.973 1.00 0.00 H new ATOM 0 HG3 LYS A 26 16.410 8.657 -16.153 1.00 0.00 H new ATOM 0 HD2 LYS A 26 15.819 10.607 -14.580 1.00 0.00 H new ATOM 0 HD3 LYS A 26 15.365 9.414 -13.379 1.00 0.00 H new ATOM 0 HE2 LYS A 26 17.605 9.655 -12.788 1.00 0.00 H new ATOM 0 HE3 LYS A 26 17.794 8.397 -13.992 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 19.313 10.238 -14.402 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 18.199 10.109 -15.677 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 18.016 11.328 -14.510 1.00 0.00 H new ATOM 852 N LYS A 27 12.066 6.894 -14.436 1.00 0.00 N ATOM 853 CA LYS A 27 11.764 6.111 -13.200 1.00 0.00 C ATOM 854 C LYS A 27 11.480 4.638 -13.560 1.00 0.00 C ATOM 855 O LYS A 27 11.632 3.757 -12.714 1.00 0.00 O ATOM 856 CB LYS A 27 10.541 6.700 -12.484 1.00 0.00 C ATOM 857 CG LYS A 27 10.989 7.820 -11.541 1.00 0.00 C ATOM 858 CD LYS A 27 11.160 7.263 -10.127 1.00 0.00 C ATOM 859 CE LYS A 27 9.822 7.325 -9.387 1.00 0.00 C ATOM 860 NZ LYS A 27 9.820 6.330 -8.278 1.00 0.00 N ATOM 0 H LYS A 27 11.302 7.472 -14.786 1.00 0.00 H new ATOM 0 HA LYS A 27 12.630 6.163 -12.540 1.00 0.00 H new ATOM 0 HB2 LYS A 27 9.831 7.088 -13.214 1.00 0.00 H new ATOM 0 HB3 LYS A 27 10.026 5.921 -11.921 1.00 0.00 H new ATOM 0 HG2 LYS A 27 11.928 8.249 -11.890 1.00 0.00 H new ATOM 0 HG3 LYS A 27 10.253 8.624 -11.539 1.00 0.00 H new ATOM 0 HD2 LYS A 27 11.516 6.234 -10.171 1.00 0.00 H new ATOM 0 HD3 LYS A 27 11.913 7.837 -9.587 1.00 0.00 H new ATOM 0 HE2 LYS A 27 9.660 8.327 -8.991 1.00 0.00 H new ATOM 0 HE3 LYS A 27 9.003 7.119 -10.076 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 8.911 6.372 -7.775 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 9.956 5.375 -8.668 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 10.592 6.547 -7.616 1.00 0.00 H new ATOM 861 N SER A 28 11.057 4.336 -14.779 1.00 0.00 N ATOM 862 CA SER A 28 10.766 2.913 -15.123 1.00 0.00 C ATOM 863 C SER A 28 11.977 2.253 -15.804 1.00 0.00 C ATOM 864 O SER A 28 12.311 1.102 -15.506 1.00 0.00 O ATOM 865 CB SER A 28 9.564 2.846 -16.064 1.00 0.00 C ATOM 866 OG SER A 28 8.406 3.304 -15.380 1.00 0.00 O ATOM 0 H SER A 28 10.906 5.009 -15.531 1.00 0.00 H new ATOM 0 HA SER A 28 10.548 2.377 -14.199 1.00 0.00 H new ATOM 0 HB2 SER A 28 9.745 3.458 -16.947 1.00 0.00 H new ATOM 0 HB3 SER A 28 9.415 1.823 -16.410 1.00 0.00 H new ATOM 0 HG SER A 28 7.937 3.962 -15.935 1.00 0.00 H new ATOM 867 N LEU A 29 12.648 2.938 -16.708 1.00 0.00 N ATOM 868 CA LEU A 29 13.823 2.302 -17.381 1.00 0.00 C ATOM 869 C LEU A 29 15.038 2.312 -16.430 1.00 0.00 C ATOM 870 O LEU A 29 15.860 1.400 -16.457 1.00 0.00 O ATOM 871 CB LEU A 29 14.119 3.005 -18.731 1.00 0.00 C ATOM 872 CG LEU A 29 15.063 4.205 -18.566 1.00 0.00 C ATOM 873 CD1 LEU A 29 16.501 3.751 -18.826 1.00 0.00 C ATOM 874 CD2 LEU A 29 14.685 5.288 -19.579 1.00 0.00 C ATOM 0 H LEU A 29 12.435 3.891 -17.001 1.00 0.00 H new ATOM 0 HA LEU A 29 13.596 1.261 -17.611 1.00 0.00 H new ATOM 0 HB2 LEU A 29 14.563 2.288 -19.422 1.00 0.00 H new ATOM 0 HB3 LEU A 29 13.183 3.340 -19.177 1.00 0.00 H new ATOM 0 HG LEU A 29 14.979 4.604 -17.555 1.00 0.00 H new ATOM 0 HD11 LEU A 29 17.177 4.599 -18.710 1.00 0.00 H new ATOM 0 HD12 LEU A 29 16.771 2.972 -18.113 1.00 0.00 H new ATOM 0 HD13 LEU A 29 16.581 3.359 -19.840 1.00 0.00 H new ATOM 0 HD21 LEU A 29 15.353 6.142 -19.465 1.00 0.00 H new ATOM 0 HD22 LEU A 29 14.775 4.889 -20.589 1.00 0.00 H new ATOM 0 HD23 LEU A 29 13.657 5.606 -19.405 1.00 0.00 H new ATOM 875 N HIS A 30 15.159 3.303 -15.572 1.00 0.00 N ATOM 876 CA HIS A 30 16.311 3.319 -14.614 1.00 0.00 C ATOM 877 C HIS A 30 16.171 2.141 -13.630 1.00 0.00 C ATOM 878 O HIS A 30 17.168 1.619 -13.136 1.00 0.00 O ATOM 879 CB HIS A 30 16.330 4.637 -13.824 1.00 0.00 C ATOM 880 CG HIS A 30 17.543 4.678 -12.934 1.00 0.00 C ATOM 881 ND1 HIS A 30 17.527 4.182 -11.640 1.00 0.00 N ATOM 882 CD2 HIS A 30 18.814 5.156 -13.137 1.00 0.00 C ATOM 883 CE1 HIS A 30 18.753 4.371 -11.118 1.00 0.00 C ATOM 884 NE2 HIS A 30 19.576 4.961 -11.989 1.00 0.00 N ATOM 0 H HIS A 30 14.517 4.092 -15.496 1.00 0.00 H new ATOM 0 HA HIS A 30 17.240 3.228 -15.177 1.00 0.00 H new ATOM 0 HB2 HIS A 30 16.342 5.483 -14.511 1.00 0.00 H new ATOM 0 HB3 HIS A 30 15.424 4.726 -13.224 1.00 0.00 H new ATOM 0 HD2 HIS A 30 19.168 5.614 -14.049 1.00 0.00 H new ATOM 0 HE1 HIS A 30 19.037 4.081 -10.117 1.00 0.00 H new ATOM 0 HE2 HIS A 30 20.553 5.214 -11.844 1.00 0.00 H new ATOM 885 N ALA A 31 14.962 1.709 -13.326 1.00 0.00 N ATOM 886 CA ALA A 31 14.795 0.568 -12.371 1.00 0.00 C ATOM 887 C ALA A 31 15.134 -0.754 -13.077 1.00 0.00 C ATOM 888 O ALA A 31 16.010 -1.494 -12.633 1.00 0.00 O ATOM 889 CB ALA A 31 13.347 0.511 -11.864 1.00 0.00 C ATOM 0 H ALA A 31 14.094 2.096 -13.697 1.00 0.00 H new ATOM 0 HA ALA A 31 15.468 0.717 -11.526 1.00 0.00 H new ATOM 0 HB1 ALA A 31 13.237 -0.322 -11.170 1.00 0.00 H new ATOM 0 HB2 ALA A 31 13.103 1.443 -11.353 1.00 0.00 H new ATOM 0 HB3 ALA A 31 12.671 0.372 -12.708 1.00 0.00 H new ATOM 890 N ILE A 32 14.449 -1.086 -14.155 1.00 0.00 N ATOM 891 CA ILE A 32 14.731 -2.371 -14.856 1.00 0.00 C ATOM 892 C ILE A 32 16.246 -2.548 -15.107 1.00 0.00 C ATOM 893 O ILE A 32 16.839 -3.532 -14.677 1.00 0.00 O ATOM 894 CB ILE A 32 13.976 -2.472 -16.202 1.00 0.00 C ATOM 895 CG1 ILE A 32 13.693 -1.104 -16.861 1.00 0.00 C ATOM 896 CG2 ILE A 32 12.650 -3.203 -15.991 1.00 0.00 C ATOM 897 CD1 ILE A 32 13.817 -1.233 -18.382 1.00 0.00 C ATOM 0 H ILE A 32 13.711 -0.519 -14.572 1.00 0.00 H new ATOM 0 HA ILE A 32 14.378 -3.167 -14.200 1.00 0.00 H new ATOM 0 HB ILE A 32 14.630 -3.022 -16.879 1.00 0.00 H new ATOM 0 HG12 ILE A 32 12.693 -0.760 -16.595 1.00 0.00 H new ATOM 0 HG13 ILE A 32 14.396 -0.358 -16.490 1.00 0.00 H new ATOM 0 HG21 ILE A 32 12.119 -3.274 -16.940 1.00 0.00 H new ATOM 0 HG22 ILE A 32 12.844 -4.205 -15.608 1.00 0.00 H new ATOM 0 HG23 ILE A 32 12.041 -2.652 -15.274 1.00 0.00 H new ATOM 0 HD11 ILE A 32 13.617 -0.267 -18.847 1.00 0.00 H new ATOM 0 HD12 ILE A 32 14.825 -1.557 -18.639 1.00 0.00 H new ATOM 0 HD13 ILE A 32 13.097 -1.966 -18.745 1.00 0.00 H new ATOM 898 N PHE A 33 16.880 -1.632 -15.797 1.00 0.00 N ATOM 899 CA PHE A 33 18.352 -1.776 -16.072 1.00 0.00 C ATOM 900 C PHE A 33 19.170 -1.738 -14.765 1.00 0.00 C ATOM 901 O PHE A 33 20.248 -2.326 -14.692 1.00 0.00 O ATOM 902 CB PHE A 33 18.832 -0.637 -16.982 1.00 0.00 C ATOM 903 CG PHE A 33 18.480 -0.950 -18.414 1.00 0.00 C ATOM 904 CD1 PHE A 33 19.005 -2.091 -19.030 1.00 0.00 C ATOM 905 CD2 PHE A 33 17.630 -0.098 -19.127 1.00 0.00 C ATOM 906 CE1 PHE A 33 18.680 -2.380 -20.360 1.00 0.00 C ATOM 907 CE2 PHE A 33 17.304 -0.387 -20.457 1.00 0.00 C ATOM 908 CZ PHE A 33 17.829 -1.528 -21.073 1.00 0.00 C ATOM 0 H PHE A 33 16.448 -0.792 -16.182 1.00 0.00 H new ATOM 0 HA PHE A 33 18.503 -2.739 -16.560 1.00 0.00 H new ATOM 0 HB2 PHE A 33 18.369 0.303 -16.680 1.00 0.00 H new ATOM 0 HB3 PHE A 33 19.910 -0.508 -16.882 1.00 0.00 H new ATOM 0 HD1 PHE A 33 19.661 -2.749 -18.479 1.00 0.00 H new ATOM 0 HD2 PHE A 33 17.225 0.783 -18.651 1.00 0.00 H new ATOM 0 HE1 PHE A 33 19.086 -3.260 -20.836 1.00 0.00 H new ATOM 0 HE2 PHE A 33 16.647 0.271 -21.007 1.00 0.00 H new ATOM 0 HZ PHE A 33 17.577 -1.751 -22.099 1.00 0.00 H new ATOM 909 N SER A 34 18.712 -1.044 -13.745 1.00 0.00 N ATOM 910 CA SER A 34 19.511 -0.971 -12.474 1.00 0.00 C ATOM 911 C SER A 34 19.679 -2.366 -11.840 1.00 0.00 C ATOM 912 O SER A 34 20.697 -2.637 -11.205 1.00 0.00 O ATOM 913 CB SER A 34 18.819 -0.043 -11.466 1.00 0.00 C ATOM 914 OG SER A 34 19.459 -0.162 -10.202 1.00 0.00 O ATOM 0 H SER A 34 17.831 -0.531 -13.736 1.00 0.00 H new ATOM 0 HA SER A 34 20.496 -0.577 -12.725 1.00 0.00 H new ATOM 0 HB2 SER A 34 18.864 0.989 -11.814 1.00 0.00 H new ATOM 0 HB3 SER A 34 17.764 -0.304 -11.379 1.00 0.00 H new ATOM 0 HG SER A 34 19.020 0.431 -9.556 1.00 0.00 H new ATOM 915 N ARG A 35 18.711 -3.253 -11.969 1.00 0.00 N ATOM 916 CA ARG A 35 18.860 -4.609 -11.333 1.00 0.00 C ATOM 917 C ARG A 35 20.212 -5.251 -11.713 1.00 0.00 C ATOM 918 O ARG A 35 20.794 -5.992 -10.921 1.00 0.00 O ATOM 919 CB ARG A 35 17.707 -5.537 -11.759 1.00 0.00 C ATOM 920 CG ARG A 35 17.774 -5.820 -13.262 1.00 0.00 C ATOM 921 CD ARG A 35 16.362 -6.051 -13.799 1.00 0.00 C ATOM 922 NE ARG A 35 15.750 -7.218 -13.104 1.00 0.00 N ATOM 923 CZ ARG A 35 15.405 -8.276 -13.785 1.00 0.00 C ATOM 924 NH1 ARG A 35 14.225 -8.339 -14.337 1.00 0.00 N ATOM 925 NH2 ARG A 35 16.241 -9.270 -13.914 1.00 0.00 N ATOM 0 H ARG A 35 17.840 -3.101 -12.477 1.00 0.00 H new ATOM 0 HA ARG A 35 18.828 -4.475 -10.252 1.00 0.00 H new ATOM 0 HB2 ARG A 35 17.762 -6.473 -11.204 1.00 0.00 H new ATOM 0 HB3 ARG A 35 16.751 -5.076 -11.512 1.00 0.00 H new ATOM 0 HG2 ARG A 35 18.239 -4.982 -13.781 1.00 0.00 H new ATOM 0 HG3 ARG A 35 18.395 -6.696 -13.451 1.00 0.00 H new ATOM 0 HD2 ARG A 35 15.752 -5.161 -13.643 1.00 0.00 H new ATOM 0 HD3 ARG A 35 16.395 -6.231 -14.874 1.00 0.00 H new ATOM 0 HE ARG A 35 15.601 -7.190 -12.095 1.00 0.00 H new ATOM 0 HH11 ARG A 35 13.573 -7.561 -14.236 1.00 0.00 H new ATOM 0 HH12 ARG A 35 13.955 -9.166 -14.870 1.00 0.00 H new ATOM 0 HH21 ARG A 35 17.164 -9.220 -13.482 1.00 0.00 H new ATOM 0 HH22 ARG A 35 15.971 -10.097 -14.446 1.00 0.00 H new ATOM 926 N PHE A 36 20.730 -4.994 -12.898 1.00 0.00 N ATOM 927 CA PHE A 36 22.041 -5.613 -13.284 1.00 0.00 C ATOM 928 C PHE A 36 23.147 -5.078 -12.363 1.00 0.00 C ATOM 929 O PHE A 36 23.797 -5.844 -11.653 1.00 0.00 O ATOM 930 CB PHE A 36 22.387 -5.271 -14.740 1.00 0.00 C ATOM 931 CG PHE A 36 21.305 -5.795 -15.653 1.00 0.00 C ATOM 932 CD1 PHE A 36 21.088 -7.174 -15.760 1.00 0.00 C ATOM 933 CD2 PHE A 36 20.520 -4.904 -16.392 1.00 0.00 C ATOM 934 CE1 PHE A 36 20.086 -7.661 -16.607 1.00 0.00 C ATOM 935 CE2 PHE A 36 19.517 -5.390 -17.239 1.00 0.00 C ATOM 936 CZ PHE A 36 19.299 -6.769 -17.346 1.00 0.00 C ATOM 0 H PHE A 36 20.307 -4.391 -13.603 1.00 0.00 H new ATOM 0 HA PHE A 36 21.962 -6.695 -13.183 1.00 0.00 H new ATOM 0 HB2 PHE A 36 22.485 -4.192 -14.857 1.00 0.00 H new ATOM 0 HB3 PHE A 36 23.348 -5.710 -15.009 1.00 0.00 H new ATOM 0 HD1 PHE A 36 21.694 -7.862 -15.189 1.00 0.00 H new ATOM 0 HD2 PHE A 36 20.688 -3.840 -16.309 1.00 0.00 H new ATOM 0 HE1 PHE A 36 19.920 -8.725 -16.691 1.00 0.00 H new ATOM 0 HE2 PHE A 36 18.912 -4.702 -17.810 1.00 0.00 H new ATOM 0 HZ PHE A 36 18.524 -7.145 -17.998 1.00 0.00 H new ATOM 937 N GLY A 37 23.381 -3.783 -12.356 1.00 0.00 N ATOM 938 CA GLY A 37 24.450 -3.226 -11.475 1.00 0.00 C ATOM 939 C GLY A 37 24.056 -1.816 -11.009 1.00 0.00 C ATOM 940 O GLY A 37 23.318 -1.659 -10.038 1.00 0.00 O ATOM 0 H GLY A 37 22.879 -3.096 -12.920 1.00 0.00 H new ATOM 0 HA2 GLY A 37 24.599 -3.876 -10.613 1.00 0.00 H new ATOM 0 HA3 GLY A 37 25.397 -3.190 -12.014 1.00 0.00 H new ATOM 941 N GLN A 38 24.532 -0.786 -11.674 1.00 0.00 N ATOM 942 CA GLN A 38 24.175 0.600 -11.252 1.00 0.00 C ATOM 943 C GLN A 38 24.117 1.519 -12.482 1.00 0.00 C ATOM 944 O GLN A 38 25.001 1.483 -13.336 1.00 0.00 O ATOM 945 CB GLN A 38 25.234 1.121 -10.278 1.00 0.00 C ATOM 946 CG GLN A 38 24.646 2.261 -9.442 1.00 0.00 C ATOM 947 CD GLN A 38 25.370 2.333 -8.092 1.00 0.00 C ATOM 948 OE1 GLN A 38 25.279 1.408 -7.287 1.00 0.00 O ATOM 949 NE2 GLN A 38 26.093 3.386 -7.793 1.00 0.00 N ATOM 0 H GLN A 38 25.148 -0.849 -12.485 1.00 0.00 H new ATOM 0 HA GLN A 38 23.200 0.589 -10.765 1.00 0.00 H new ATOM 0 HB2 GLN A 38 25.571 0.315 -9.626 1.00 0.00 H new ATOM 0 HB3 GLN A 38 26.107 1.473 -10.828 1.00 0.00 H new ATOM 0 HG2 GLN A 38 24.751 3.207 -9.973 1.00 0.00 H new ATOM 0 HG3 GLN A 38 23.579 2.099 -9.286 1.00 0.00 H new ATOM 0 HE21 GLN A 38 26.172 4.156 -8.457 1.00 0.00 H new ATOM 0 HE22 GLN A 38 26.576 3.435 -6.896 1.00 0.00 H new ATOM 950 N ILE A 39 23.099 2.347 -12.592 1.00 0.00 N ATOM 951 CA ILE A 39 23.008 3.261 -13.769 1.00 0.00 C ATOM 952 C ILE A 39 23.561 4.640 -13.380 1.00 0.00 C ATOM 953 O ILE A 39 23.033 5.297 -12.484 1.00 0.00 O ATOM 954 CB ILE A 39 21.547 3.399 -14.202 1.00 0.00 C ATOM 955 CG1 ILE A 39 20.963 2.010 -14.474 1.00 0.00 C ATOM 956 CG2 ILE A 39 21.470 4.241 -15.478 1.00 0.00 C ATOM 957 CD1 ILE A 39 19.450 2.122 -14.668 1.00 0.00 C ATOM 0 H ILE A 39 22.336 2.425 -11.920 1.00 0.00 H new ATOM 0 HA ILE A 39 23.589 2.852 -14.595 1.00 0.00 H new ATOM 0 HB ILE A 39 20.978 3.886 -13.410 1.00 0.00 H new ATOM 0 HG12 ILE A 39 21.423 1.578 -15.363 1.00 0.00 H new ATOM 0 HG13 ILE A 39 21.185 1.341 -13.643 1.00 0.00 H new ATOM 0 HG21 ILE A 39 20.429 4.339 -15.787 1.00 0.00 H new ATOM 0 HG22 ILE A 39 21.887 5.230 -15.287 1.00 0.00 H new ATOM 0 HG23 ILE A 39 22.039 3.754 -16.270 1.00 0.00 H new ATOM 0 HD11 ILE A 39 19.034 1.133 -14.862 1.00 0.00 H new ATOM 0 HD12 ILE A 39 18.997 2.536 -13.767 1.00 0.00 H new ATOM 0 HD13 ILE A 39 19.239 2.776 -15.514 1.00 0.00 H new ATOM 958 N LEU A 40 24.614 5.096 -14.024 1.00 0.00 N ATOM 959 CA LEU A 40 25.181 6.437 -13.661 1.00 0.00 C ATOM 960 C LEU A 40 24.133 7.525 -13.939 1.00 0.00 C ATOM 961 O LEU A 40 23.942 8.434 -13.133 1.00 0.00 O ATOM 962 CB LEU A 40 26.457 6.728 -14.477 1.00 0.00 C ATOM 963 CG LEU A 40 27.602 7.102 -13.532 1.00 0.00 C ATOM 964 CD1 LEU A 40 28.034 5.867 -12.739 1.00 0.00 C ATOM 965 CD2 LEU A 40 28.790 7.626 -14.346 1.00 0.00 C ATOM 0 H LEU A 40 25.099 4.605 -14.775 1.00 0.00 H new ATOM 0 HA LEU A 40 25.440 6.433 -12.602 1.00 0.00 H new ATOM 0 HB2 LEU A 40 26.731 5.853 -15.066 1.00 0.00 H new ATOM 0 HB3 LEU A 40 26.273 7.541 -15.180 1.00 0.00 H new ATOM 0 HG LEU A 40 27.264 7.877 -12.844 1.00 0.00 H new ATOM 0 HD11 LEU A 40 28.849 6.133 -12.066 1.00 0.00 H new ATOM 0 HD12 LEU A 40 27.191 5.495 -12.158 1.00 0.00 H new ATOM 0 HD13 LEU A 40 28.370 5.092 -13.428 1.00 0.00 H new ATOM 0 HD21 LEU A 40 29.604 7.892 -13.672 1.00 0.00 H new ATOM 0 HD22 LEU A 40 29.128 6.853 -15.036 1.00 0.00 H new ATOM 0 HD23 LEU A 40 28.484 8.507 -14.910 1.00 0.00 H new ATOM 966 N ASP A 41 23.449 7.456 -15.059 1.00 0.00 N ATOM 967 CA ASP A 41 22.416 8.500 -15.365 1.00 0.00 C ATOM 968 C ASP A 41 21.747 8.215 -16.722 1.00 0.00 C ATOM 969 O ASP A 41 22.384 7.711 -17.646 1.00 0.00 O ATOM 970 CB ASP A 41 23.083 9.878 -15.411 1.00 0.00 C ATOM 971 CG ASP A 41 22.166 10.914 -14.758 1.00 0.00 C ATOM 972 OD1 ASP A 41 22.273 11.096 -13.556 1.00 0.00 O ATOM 973 OD2 ASP A 41 21.373 11.506 -15.470 1.00 0.00 O ATOM 0 H ASP A 41 23.559 6.730 -15.767 1.00 0.00 H new ATOM 0 HA ASP A 41 21.655 8.479 -14.585 1.00 0.00 H new ATOM 0 HB2 ASP A 41 24.041 9.847 -14.892 1.00 0.00 H new ATOM 0 HB3 ASP A 41 23.289 10.159 -16.444 1.00 0.00 H new ATOM 974 N ILE A 42 20.477 8.529 -16.864 1.00 0.00 N ATOM 975 CA ILE A 42 19.785 8.277 -18.162 1.00 0.00 C ATOM 976 C ILE A 42 19.279 9.611 -18.729 1.00 0.00 C ATOM 977 O ILE A 42 18.828 10.479 -17.983 1.00 0.00 O ATOM 978 CB ILE A 42 18.604 7.331 -17.930 1.00 0.00 C ATOM 979 CG1 ILE A 42 19.113 6.028 -17.306 1.00 0.00 C ATOM 980 CG2 ILE A 42 17.916 7.019 -19.263 1.00 0.00 C ATOM 981 CD1 ILE A 42 18.076 5.495 -16.316 1.00 0.00 C ATOM 0 H ILE A 42 19.896 8.947 -16.137 1.00 0.00 H new ATOM 0 HA ILE A 42 20.477 7.821 -18.870 1.00 0.00 H new ATOM 0 HB ILE A 42 17.889 7.807 -17.259 1.00 0.00 H new ATOM 0 HG12 ILE A 42 19.301 5.289 -18.085 1.00 0.00 H new ATOM 0 HG13 ILE A 42 20.061 6.203 -16.797 1.00 0.00 H new ATOM 0 HG21 ILE A 42 17.077 6.345 -19.090 1.00 0.00 H new ATOM 0 HG22 ILE A 42 17.553 7.944 -19.710 1.00 0.00 H new ATOM 0 HG23 ILE A 42 18.629 6.545 -19.938 1.00 0.00 H new ATOM 0 HD11 ILE A 42 18.439 4.568 -15.873 1.00 0.00 H new ATOM 0 HD12 ILE A 42 17.910 6.232 -15.531 1.00 0.00 H new ATOM 0 HD13 ILE A 42 17.139 5.304 -16.838 1.00 0.00 H new ATOM 982 N LEU A 43 19.351 9.805 -20.029 1.00 0.00 N ATOM 983 CA LEU A 43 18.879 11.092 -20.614 1.00 0.00 C ATOM 984 C LEU A 43 17.624 10.860 -21.471 1.00 0.00 C ATOM 985 O LEU A 43 17.570 9.932 -22.280 1.00 0.00 O ATOM 986 CB LEU A 43 19.985 11.687 -21.488 1.00 0.00 C ATOM 987 CG LEU A 43 21.174 12.084 -20.610 1.00 0.00 C ATOM 988 CD1 LEU A 43 22.201 10.951 -20.597 1.00 0.00 C ATOM 989 CD2 LEU A 43 21.824 13.351 -21.173 1.00 0.00 C ATOM 0 H LEU A 43 19.715 9.129 -20.700 1.00 0.00 H new ATOM 0 HA LEU A 43 18.634 11.780 -19.805 1.00 0.00 H new ATOM 0 HB2 LEU A 43 20.300 10.961 -22.238 1.00 0.00 H new ATOM 0 HB3 LEU A 43 19.609 12.558 -22.025 1.00 0.00 H new ATOM 0 HG LEU A 43 20.826 12.272 -19.594 1.00 0.00 H new ATOM 0 HD11 LEU A 43 23.048 11.234 -19.972 1.00 0.00 H new ATOM 0 HD12 LEU A 43 21.741 10.047 -20.197 1.00 0.00 H new ATOM 0 HD13 LEU A 43 22.548 10.762 -21.613 1.00 0.00 H new ATOM 0 HD21 LEU A 43 22.671 13.634 -20.548 1.00 0.00 H new ATOM 0 HD22 LEU A 43 22.170 13.162 -22.189 1.00 0.00 H new ATOM 0 HD23 LEU A 43 21.094 14.161 -21.183 1.00 0.00 H new ATOM 990 N VAL A 44 16.618 11.697 -21.318 1.00 0.00 N ATOM 991 CA VAL A 44 15.376 11.541 -22.132 1.00 0.00 C ATOM 992 C VAL A 44 14.839 12.938 -22.482 1.00 0.00 C ATOM 993 O VAL A 44 14.558 13.741 -21.593 1.00 0.00 O ATOM 994 CB VAL A 44 14.315 10.773 -21.335 1.00 0.00 C ATOM 995 CG1 VAL A 44 14.757 9.319 -21.154 1.00 0.00 C ATOM 996 CG2 VAL A 44 14.132 11.423 -19.961 1.00 0.00 C ATOM 0 H VAL A 44 16.609 12.479 -20.663 1.00 0.00 H new ATOM 0 HA VAL A 44 15.604 10.985 -23.041 1.00 0.00 H new ATOM 0 HB VAL A 44 13.371 10.800 -21.879 1.00 0.00 H new ATOM 0 HG11 VAL A 44 14.000 8.777 -20.587 1.00 0.00 H new ATOM 0 HG12 VAL A 44 14.882 8.852 -22.131 1.00 0.00 H new ATOM 0 HG13 VAL A 44 15.704 9.291 -20.615 1.00 0.00 H new ATOM 0 HG21 VAL A 44 13.377 10.875 -19.397 1.00 0.00 H new ATOM 0 HG22 VAL A 44 15.077 11.401 -19.419 1.00 0.00 H new ATOM 0 HG23 VAL A 44 13.811 12.457 -20.087 1.00 0.00 H new ATOM 997 N SER A 45 14.703 13.260 -23.751 1.00 0.00 N ATOM 998 CA SER A 45 14.200 14.617 -24.120 1.00 0.00 C ATOM 999 C SER A 45 12.833 14.503 -24.809 1.00 0.00 C ATOM 1000 O SER A 45 12.289 13.410 -24.951 1.00 0.00 O ATOM 1001 CB SER A 45 15.192 15.285 -25.072 1.00 0.00 C ATOM 1002 OG SER A 45 16.494 15.233 -24.504 1.00 0.00 O ATOM 0 H SER A 45 14.917 12.645 -24.536 1.00 0.00 H new ATOM 0 HA SER A 45 14.096 15.216 -23.215 1.00 0.00 H new ATOM 0 HB2 SER A 45 15.183 14.780 -26.038 1.00 0.00 H new ATOM 0 HB3 SER A 45 14.902 16.320 -25.251 1.00 0.00 H new ATOM 0 HG SER A 45 17.134 15.659 -25.112 1.00 0.00 H new ATOM 1003 N ARG A 46 12.262 15.610 -25.244 1.00 0.00 N ATOM 1004 CA ARG A 46 10.934 15.544 -25.921 1.00 0.00 C ATOM 1005 C ARG A 46 10.926 16.431 -27.182 1.00 0.00 C ATOM 1006 O ARG A 46 9.893 16.994 -27.541 1.00 0.00 O ATOM 1007 CB ARG A 46 9.850 16.029 -24.955 1.00 0.00 C ATOM 1008 CG ARG A 46 8.557 15.248 -25.202 1.00 0.00 C ATOM 1009 CD ARG A 46 8.513 14.026 -24.282 1.00 0.00 C ATOM 1010 NE ARG A 46 9.040 12.838 -25.011 1.00 0.00 N ATOM 1011 CZ ARG A 46 8.220 11.921 -25.447 1.00 0.00 C ATOM 1012 NH1 ARG A 46 7.116 12.268 -26.050 1.00 0.00 N ATOM 1013 NH2 ARG A 46 8.505 10.659 -25.281 1.00 0.00 N ATOM 0 H ARG A 46 12.660 16.545 -25.157 1.00 0.00 H new ATOM 0 HA ARG A 46 10.739 14.513 -26.215 1.00 0.00 H new ATOM 0 HB2 ARG A 46 10.179 15.892 -23.925 1.00 0.00 H new ATOM 0 HB3 ARG A 46 9.675 17.096 -25.094 1.00 0.00 H new ATOM 0 HG2 ARG A 46 7.693 15.887 -25.017 1.00 0.00 H new ATOM 0 HG3 ARG A 46 8.503 14.933 -26.244 1.00 0.00 H new ATOM 0 HD2 ARG A 46 9.107 14.210 -23.387 1.00 0.00 H new ATOM 0 HD3 ARG A 46 7.490 13.841 -23.954 1.00 0.00 H new ATOM 0 HE ARG A 46 10.043 12.741 -25.169 1.00 0.00 H new ATOM 0 HH11 ARG A 46 6.895 13.255 -26.180 1.00 0.00 H new ATOM 0 HH12 ARG A 46 6.475 11.552 -26.391 1.00 0.00 H new ATOM 0 HH21 ARG A 46 9.369 10.389 -24.810 1.00 0.00 H new ATOM 0 HH22 ARG A 46 7.864 9.942 -25.622 1.00 0.00 H new ATOM 1014 N SER A 47 12.041 16.563 -27.875 1.00 0.00 N ATOM 1015 CA SER A 47 12.051 17.406 -29.112 1.00 0.00 C ATOM 1016 C SER A 47 11.586 16.545 -30.298 1.00 0.00 C ATOM 1017 O SER A 47 11.405 15.341 -30.157 1.00 0.00 O ATOM 1018 CB SER A 47 13.466 17.933 -29.377 1.00 0.00 C ATOM 1019 OG SER A 47 14.243 16.908 -29.982 1.00 0.00 O ATOM 0 H SER A 47 12.932 16.127 -27.637 1.00 0.00 H new ATOM 0 HA SER A 47 11.381 18.256 -28.983 1.00 0.00 H new ATOM 0 HB2 SER A 47 13.425 18.806 -30.028 1.00 0.00 H new ATOM 0 HB3 SER A 47 13.928 18.253 -28.443 1.00 0.00 H new ATOM 0 HG SER A 47 15.148 17.242 -30.154 1.00 0.00 H new ATOM 1020 N LEU A 48 11.378 17.126 -31.461 1.00 0.00 N ATOM 1021 CA LEU A 48 10.913 16.296 -32.624 1.00 0.00 C ATOM 1022 C LEU A 48 11.959 15.220 -32.950 1.00 0.00 C ATOM 1023 O LEU A 48 11.615 14.069 -33.215 1.00 0.00 O ATOM 1024 CB LEU A 48 10.700 17.171 -33.864 1.00 0.00 C ATOM 1025 CG LEU A 48 9.701 16.496 -34.807 1.00 0.00 C ATOM 1026 CD1 LEU A 48 8.806 17.561 -35.449 1.00 0.00 C ATOM 1027 CD2 LEU A 48 10.459 15.738 -35.900 1.00 0.00 C ATOM 0 H LEU A 48 11.507 18.119 -31.653 1.00 0.00 H new ATOM 0 HA LEU A 48 9.968 15.827 -32.349 1.00 0.00 H new ATOM 0 HB2 LEU A 48 10.330 18.153 -33.569 1.00 0.00 H new ATOM 0 HB3 LEU A 48 11.649 17.329 -34.377 1.00 0.00 H new ATOM 0 HG LEU A 48 9.085 15.796 -34.242 1.00 0.00 H new ATOM 0 HD11 LEU A 48 8.094 17.081 -36.121 1.00 0.00 H new ATOM 0 HD12 LEU A 48 8.265 18.099 -34.671 1.00 0.00 H new ATOM 0 HD13 LEU A 48 9.422 18.262 -36.013 1.00 0.00 H new ATOM 0 HD21 LEU A 48 9.747 15.258 -36.571 1.00 0.00 H new ATOM 0 HD22 LEU A 48 11.076 16.436 -36.466 1.00 0.00 H new ATOM 0 HD23 LEU A 48 11.095 14.980 -35.443 1.00 0.00 H new ATOM 1028 N LYS A 49 13.230 15.565 -32.948 1.00 0.00 N ATOM 1029 CA LYS A 49 14.276 14.553 -33.270 1.00 0.00 C ATOM 1030 C LYS A 49 14.898 14.021 -31.969 1.00 0.00 C ATOM 1031 O LYS A 49 16.092 14.190 -31.724 1.00 0.00 O ATOM 1032 CB LYS A 49 15.363 15.195 -34.137 1.00 0.00 C ATOM 1033 CG LYS A 49 14.790 15.508 -35.522 1.00 0.00 C ATOM 1034 CD LYS A 49 15.685 16.529 -36.226 1.00 0.00 C ATOM 1035 CE LYS A 49 15.546 16.370 -37.741 1.00 0.00 C ATOM 1036 NZ LYS A 49 16.456 15.287 -38.212 1.00 0.00 N ATOM 0 H LYS A 49 13.580 16.500 -32.738 1.00 0.00 H new ATOM 0 HA LYS A 49 13.822 13.726 -33.816 1.00 0.00 H new ATOM 0 HB2 LYS A 49 15.726 16.109 -33.667 1.00 0.00 H new ATOM 0 HB3 LYS A 49 16.216 14.522 -34.228 1.00 0.00 H new ATOM 0 HG2 LYS A 49 14.725 14.596 -36.115 1.00 0.00 H new ATOM 0 HG3 LYS A 49 13.777 15.900 -35.428 1.00 0.00 H new ATOM 0 HD2 LYS A 49 15.406 17.540 -35.929 1.00 0.00 H new ATOM 0 HD3 LYS A 49 16.724 16.385 -35.928 1.00 0.00 H new ATOM 0 HE2 LYS A 49 14.514 16.131 -37.999 1.00 0.00 H new ATOM 0 HE3 LYS A 49 15.790 17.308 -38.240 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 16.362 15.178 -39.242 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 17.439 15.533 -37.978 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 16.203 14.393 -37.745 1.00 0.00 H new ATOM 1037 N MET A 50 14.117 13.380 -31.127 1.00 0.00 N ATOM 1038 CA MET A 50 14.683 12.843 -29.847 1.00 0.00 C ATOM 1039 C MET A 50 13.653 11.938 -29.145 1.00 0.00 C ATOM 1040 O MET A 50 13.957 10.806 -28.783 1.00 0.00 O ATOM 1041 CB MET A 50 15.053 14.008 -28.925 1.00 0.00 C ATOM 1042 CG MET A 50 16.363 13.693 -28.196 1.00 0.00 C ATOM 1043 SD MET A 50 17.731 13.693 -29.381 1.00 0.00 S ATOM 1044 CE MET A 50 18.188 11.951 -29.200 1.00 0.00 C ATOM 0 H MET A 50 13.122 13.207 -31.270 1.00 0.00 H new ATOM 0 HA MET A 50 15.573 12.255 -30.073 1.00 0.00 H new ATOM 0 HB2 MET A 50 15.160 14.924 -29.506 1.00 0.00 H new ATOM 0 HB3 MET A 50 14.255 14.180 -28.202 1.00 0.00 H new ATOM 0 HG2 MET A 50 16.544 14.433 -27.416 1.00 0.00 H new ATOM 0 HG3 MET A 50 16.294 12.722 -27.705 1.00 0.00 H new ATOM 0 HE1 MET A 50 19.272 11.866 -29.119 1.00 0.00 H new ATOM 0 HE2 MET A 50 17.724 11.545 -28.301 1.00 0.00 H new ATOM 0 HE3 MET A 50 17.844 11.392 -30.070 1.00 0.00 H new ATOM 1045 N ARG A 51 12.440 12.411 -28.939 1.00 0.00 N ATOM 1046 CA ARG A 51 11.402 11.565 -28.253 1.00 0.00 C ATOM 1047 C ARG A 51 11.329 10.176 -28.917 1.00 0.00 C ATOM 1048 O ARG A 51 11.605 10.034 -30.107 1.00 0.00 O ATOM 1049 CB ARG A 51 10.022 12.240 -28.356 1.00 0.00 C ATOM 1050 CG ARG A 51 9.639 12.426 -29.834 1.00 0.00 C ATOM 1051 CD ARG A 51 9.136 13.855 -30.075 1.00 0.00 C ATOM 1052 NE ARG A 51 7.656 13.840 -30.241 1.00 0.00 N ATOM 1053 CZ ARG A 51 6.889 13.562 -29.224 1.00 0.00 C ATOM 1054 NH1 ARG A 51 6.553 14.502 -28.384 1.00 0.00 N ATOM 1055 NH2 ARG A 51 6.458 12.344 -29.045 1.00 0.00 N ATOM 0 H ARG A 51 12.126 13.341 -29.215 1.00 0.00 H new ATOM 0 HA ARG A 51 11.681 11.456 -27.205 1.00 0.00 H new ATOM 0 HB2 ARG A 51 9.272 11.632 -27.851 1.00 0.00 H new ATOM 0 HB3 ARG A 51 10.042 13.206 -27.852 1.00 0.00 H new ATOM 0 HG2 ARG A 51 10.502 12.224 -30.469 1.00 0.00 H new ATOM 0 HG3 ARG A 51 8.866 11.709 -30.110 1.00 0.00 H new ATOM 0 HD2 ARG A 51 9.412 14.495 -29.237 1.00 0.00 H new ATOM 0 HD3 ARG A 51 9.608 14.273 -30.964 1.00 0.00 H new ATOM 0 HE ARG A 51 7.243 14.047 -31.150 1.00 0.00 H new ATOM 0 HH11 ARG A 51 6.890 15.455 -28.523 1.00 0.00 H new ATOM 0 HH12 ARG A 51 5.953 14.284 -27.588 1.00 0.00 H new ATOM 0 HH21 ARG A 51 6.721 11.608 -29.701 1.00 0.00 H new ATOM 0 HH22 ARG A 51 5.858 12.127 -28.249 1.00 0.00 H new ATOM 1056 N GLY A 52 10.963 9.149 -28.178 1.00 0.00 N ATOM 1057 CA GLY A 52 10.876 7.787 -28.787 1.00 0.00 C ATOM 1058 C GLY A 52 12.120 6.959 -28.417 1.00 0.00 C ATOM 1059 O GLY A 52 12.028 5.751 -28.208 1.00 0.00 O ATOM 0 H GLY A 52 10.724 9.199 -27.188 1.00 0.00 H new ATOM 0 HA2 GLY A 52 9.976 7.281 -28.437 1.00 0.00 H new ATOM 0 HA3 GLY A 52 10.794 7.870 -29.871 1.00 0.00 H new ATOM 1060 N GLN A 53 13.282 7.572 -28.342 1.00 0.00 N ATOM 1061 CA GLN A 53 14.516 6.805 -27.998 1.00 0.00 C ATOM 1062 C GLN A 53 15.041 7.279 -26.635 1.00 0.00 C ATOM 1063 O GLN A 53 14.458 8.167 -26.013 1.00 0.00 O ATOM 1064 CB GLN A 53 15.586 7.054 -29.069 1.00 0.00 C ATOM 1065 CG GLN A 53 14.972 6.900 -30.465 1.00 0.00 C ATOM 1066 CD GLN A 53 14.636 8.287 -31.026 1.00 0.00 C ATOM 1067 OE1 GLN A 53 13.478 8.697 -31.016 1.00 0.00 O ATOM 1068 NE2 GLN A 53 15.588 9.042 -31.519 1.00 0.00 N ATOM 0 H GLN A 53 13.424 8.569 -28.505 1.00 0.00 H new ATOM 0 HA GLN A 53 14.286 5.740 -27.954 1.00 0.00 H new ATOM 0 HB2 GLN A 53 16.003 8.055 -28.954 1.00 0.00 H new ATOM 0 HB3 GLN A 53 16.409 6.350 -28.944 1.00 0.00 H new ATOM 0 HG2 GLN A 53 15.669 6.386 -31.127 1.00 0.00 H new ATOM 0 HG3 GLN A 53 14.072 6.288 -30.413 1.00 0.00 H new ATOM 0 HE21 GLN A 53 16.551 8.706 -31.530 1.00 0.00 H new ATOM 0 HE22 GLN A 53 15.365 9.965 -31.892 1.00 0.00 H new ATOM 1069 N ALA A 54 16.125 6.710 -26.149 1.00 0.00 N ATOM 1070 CA ALA A 54 16.658 7.151 -24.822 1.00 0.00 C ATOM 1071 C ALA A 54 18.146 6.786 -24.694 1.00 0.00 C ATOM 1072 O ALA A 54 18.703 6.106 -25.550 1.00 0.00 O ATOM 1073 CB ALA A 54 15.870 6.462 -23.706 1.00 0.00 C ATOM 0 H ALA A 54 16.655 5.970 -26.609 1.00 0.00 H new ATOM 0 HA ALA A 54 16.552 8.233 -24.740 1.00 0.00 H new ATOM 0 HB1 ALA A 54 16.256 6.781 -22.738 1.00 0.00 H new ATOM 0 HB2 ALA A 54 14.817 6.732 -23.784 1.00 0.00 H new ATOM 0 HB3 ALA A 54 15.975 5.381 -23.800 1.00 0.00 H new ATOM 1074 N PHE A 55 18.805 7.226 -23.641 1.00 0.00 N ATOM 1075 CA PHE A 55 20.252 6.891 -23.477 1.00 0.00 C ATOM 1076 C PHE A 55 20.482 6.329 -22.066 1.00 0.00 C ATOM 1077 O PHE A 55 19.912 6.821 -21.097 1.00 0.00 O ATOM 1078 CB PHE A 55 21.092 8.156 -23.663 1.00 0.00 C ATOM 1079 CG PHE A 55 20.975 8.635 -25.090 1.00 0.00 C ATOM 1080 CD1 PHE A 55 21.782 8.073 -26.086 1.00 0.00 C ATOM 1081 CD2 PHE A 55 20.060 9.643 -25.418 1.00 0.00 C ATOM 1082 CE1 PHE A 55 21.674 8.517 -27.409 1.00 0.00 C ATOM 1083 CE2 PHE A 55 19.952 10.088 -26.741 1.00 0.00 C ATOM 1084 CZ PHE A 55 20.759 9.525 -27.736 1.00 0.00 C ATOM 0 H PHE A 55 18.403 7.797 -22.898 1.00 0.00 H new ATOM 0 HA PHE A 55 20.544 6.149 -24.221 1.00 0.00 H new ATOM 0 HB2 PHE A 55 20.753 8.934 -22.979 1.00 0.00 H new ATOM 0 HB3 PHE A 55 22.135 7.951 -23.422 1.00 0.00 H new ATOM 0 HD1 PHE A 55 22.489 7.296 -25.834 1.00 0.00 H new ATOM 0 HD2 PHE A 55 19.437 10.077 -24.650 1.00 0.00 H new ATOM 0 HE1 PHE A 55 22.296 8.082 -28.177 1.00 0.00 H new ATOM 0 HE2 PHE A 55 19.246 10.865 -26.994 1.00 0.00 H new ATOM 0 HZ PHE A 55 20.676 9.868 -28.757 1.00 0.00 H new ATOM 1085 N VAL A 56 21.304 5.310 -21.921 1.00 0.00 N ATOM 1086 CA VAL A 56 21.545 4.750 -20.555 1.00 0.00 C ATOM 1087 C VAL A 56 23.053 4.559 -20.336 1.00 0.00 C ATOM 1088 O VAL A 56 23.629 3.565 -20.769 1.00 0.00 O ATOM 1089 CB VAL A 56 20.835 3.402 -20.416 1.00 0.00 C ATOM 1090 CG1 VAL A 56 20.991 2.888 -18.984 1.00 0.00 C ATOM 1091 CG2 VAL A 56 19.349 3.572 -20.735 1.00 0.00 C ATOM 0 H VAL A 56 21.809 4.851 -22.679 1.00 0.00 H new ATOM 0 HA VAL A 56 21.154 5.442 -19.809 1.00 0.00 H new ATOM 0 HB VAL A 56 21.277 2.687 -21.110 1.00 0.00 H new ATOM 0 HG11 VAL A 56 20.485 1.928 -18.885 1.00 0.00 H new ATOM 0 HG12 VAL A 56 22.050 2.766 -18.755 1.00 0.00 H new ATOM 0 HG13 VAL A 56 20.550 3.604 -18.290 1.00 0.00 H new ATOM 0 HG21 VAL A 56 18.843 2.611 -20.636 1.00 0.00 H new ATOM 0 HG22 VAL A 56 18.908 4.288 -20.041 1.00 0.00 H new ATOM 0 HG23 VAL A 56 19.235 3.938 -21.755 1.00 0.00 H new ATOM 1092 N ILE A 57 23.708 5.483 -19.665 1.00 0.00 N ATOM 1093 CA ILE A 57 25.175 5.326 -19.431 1.00 0.00 C ATOM 1094 C ILE A 57 25.398 4.472 -18.177 1.00 0.00 C ATOM 1095 O ILE A 57 24.993 4.851 -17.080 1.00 0.00 O ATOM 1096 CB ILE A 57 25.830 6.699 -19.235 1.00 0.00 C ATOM 1097 CG1 ILE A 57 25.438 7.630 -20.394 1.00 0.00 C ATOM 1098 CG2 ILE A 57 27.351 6.534 -19.204 1.00 0.00 C ATOM 1099 CD1 ILE A 57 24.361 8.613 -19.926 1.00 0.00 C ATOM 0 H ILE A 57 23.291 6.328 -19.275 1.00 0.00 H new ATOM 0 HA ILE A 57 25.624 4.839 -20.297 1.00 0.00 H new ATOM 0 HB ILE A 57 25.490 7.133 -18.295 1.00 0.00 H new ATOM 0 HG12 ILE A 57 26.313 8.176 -20.747 1.00 0.00 H new ATOM 0 HG13 ILE A 57 25.068 7.043 -21.235 1.00 0.00 H new ATOM 0 HG21 ILE A 57 27.820 7.508 -19.065 1.00 0.00 H new ATOM 0 HG22 ILE A 57 27.629 5.876 -18.380 1.00 0.00 H new ATOM 0 HG23 ILE A 57 27.689 6.100 -20.145 1.00 0.00 H new ATOM 0 HD11 ILE A 57 24.086 9.271 -20.750 1.00 0.00 H new ATOM 0 HD12 ILE A 57 23.482 8.059 -19.595 1.00 0.00 H new ATOM 0 HD13 ILE A 57 24.747 9.209 -19.099 1.00 0.00 H new ATOM 1100 N PHE A 58 26.037 3.329 -18.308 1.00 0.00 N ATOM 1101 CA PHE A 58 26.273 2.474 -17.109 1.00 0.00 C ATOM 1102 C PHE A 58 27.631 2.837 -16.490 1.00 0.00 C ATOM 1103 O PHE A 58 28.576 3.176 -17.199 1.00 0.00 O ATOM 1104 CB PHE A 58 26.264 0.996 -17.508 1.00 0.00 C ATOM 1105 CG PHE A 58 24.843 0.555 -17.771 1.00 0.00 C ATOM 1106 CD1 PHE A 58 24.295 0.691 -19.052 1.00 0.00 C ATOM 1107 CD2 PHE A 58 24.072 0.011 -16.735 1.00 0.00 C ATOM 1108 CE1 PHE A 58 22.979 0.283 -19.299 1.00 0.00 C ATOM 1109 CE2 PHE A 58 22.755 -0.397 -16.982 1.00 0.00 C ATOM 1110 CZ PHE A 58 22.210 -0.261 -18.264 1.00 0.00 C ATOM 0 H PHE A 58 26.400 2.959 -19.187 1.00 0.00 H new ATOM 0 HA PHE A 58 25.480 2.646 -16.381 1.00 0.00 H new ATOM 0 HB2 PHE A 58 26.874 0.845 -18.399 1.00 0.00 H new ATOM 0 HB3 PHE A 58 26.703 0.391 -16.715 1.00 0.00 H new ATOM 0 HD1 PHE A 58 24.888 1.111 -19.851 1.00 0.00 H new ATOM 0 HD2 PHE A 58 24.493 -0.094 -15.746 1.00 0.00 H new ATOM 0 HE1 PHE A 58 22.557 0.388 -20.288 1.00 0.00 H new ATOM 0 HE2 PHE A 58 22.160 -0.816 -16.184 1.00 0.00 H new ATOM 0 HZ PHE A 58 21.195 -0.576 -18.455 1.00 0.00 H new ATOM 1111 N LYS A 59 27.746 2.788 -15.179 1.00 0.00 N ATOM 1112 CA LYS A 59 29.050 3.146 -14.519 1.00 0.00 C ATOM 1113 C LYS A 59 30.229 2.436 -15.210 1.00 0.00 C ATOM 1114 O LYS A 59 31.314 3.003 -15.335 1.00 0.00 O ATOM 1115 CB LYS A 59 29.023 2.733 -13.040 1.00 0.00 C ATOM 1116 CG LYS A 59 30.251 3.307 -12.327 1.00 0.00 C ATOM 1117 CD LYS A 59 30.725 2.324 -11.254 1.00 0.00 C ATOM 1118 CE LYS A 59 29.846 2.461 -10.009 1.00 0.00 C ATOM 1119 NZ LYS A 59 28.754 1.448 -10.059 1.00 0.00 N ATOM 0 H LYS A 59 26.998 2.517 -14.540 1.00 0.00 H new ATOM 0 HA LYS A 59 29.182 4.225 -14.603 1.00 0.00 H new ATOM 0 HB2 LYS A 59 28.111 3.097 -12.566 1.00 0.00 H new ATOM 0 HB3 LYS A 59 29.015 1.646 -12.955 1.00 0.00 H new ATOM 0 HG2 LYS A 59 31.050 3.490 -13.046 1.00 0.00 H new ATOM 0 HG3 LYS A 59 30.005 4.267 -11.873 1.00 0.00 H new ATOM 0 HD2 LYS A 59 30.678 1.304 -11.635 1.00 0.00 H new ATOM 0 HD3 LYS A 59 31.766 2.521 -11.000 1.00 0.00 H new ATOM 0 HE2 LYS A 59 30.446 2.321 -9.110 1.00 0.00 H new ATOM 0 HE3 LYS A 59 29.424 3.465 -9.957 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 28.156 1.540 -9.213 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 28.176 1.602 -10.910 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 29.167 0.494 -10.089 1.00 0.00 H new ATOM 1120 N GLU A 60 30.053 1.210 -15.657 1.00 0.00 N ATOM 1121 CA GLU A 60 31.179 0.497 -16.324 1.00 0.00 C ATOM 1122 C GLU A 60 30.722 -0.050 -17.686 1.00 0.00 C ATOM 1123 O GLU A 60 29.535 -0.286 -17.905 1.00 0.00 O ATOM 1124 CB GLU A 60 31.642 -0.663 -15.438 1.00 0.00 C ATOM 1125 CG GLU A 60 33.164 -0.803 -15.528 1.00 0.00 C ATOM 1126 CD GLU A 60 33.818 -0.009 -14.396 1.00 0.00 C ATOM 1127 OE1 GLU A 60 33.510 1.165 -14.269 1.00 0.00 O ATOM 1128 OE2 GLU A 60 34.616 -0.587 -13.676 1.00 0.00 O ATOM 0 H GLU A 60 29.183 0.682 -15.586 1.00 0.00 H new ATOM 0 HA GLU A 60 32.003 1.194 -16.478 1.00 0.00 H new ATOM 0 HB2 GLU A 60 31.344 -0.486 -14.405 1.00 0.00 H new ATOM 0 HB3 GLU A 60 31.162 -1.589 -15.754 1.00 0.00 H new ATOM 0 HG2 GLU A 60 33.448 -1.853 -15.461 1.00 0.00 H new ATOM 0 HG3 GLU A 60 33.517 -0.439 -16.493 1.00 0.00 H new ATOM 1129 N VAL A 61 31.640 -0.265 -18.607 1.00 0.00 N ATOM 1130 CA VAL A 61 31.236 -0.805 -19.947 1.00 0.00 C ATOM 1131 C VAL A 61 30.625 -2.205 -19.777 1.00 0.00 C ATOM 1132 O VAL A 61 29.676 -2.562 -20.472 1.00 0.00 O ATOM 1133 CB VAL A 61 32.455 -0.894 -20.879 1.00 0.00 C ATOM 1134 CG1 VAL A 61 32.013 -1.378 -22.263 1.00 0.00 C ATOM 1135 CG2 VAL A 61 33.099 0.491 -21.003 1.00 0.00 C ATOM 0 H VAL A 61 32.638 -0.092 -18.489 1.00 0.00 H new ATOM 0 HA VAL A 61 30.500 -0.131 -20.387 1.00 0.00 H new ATOM 0 HB VAL A 61 33.177 -1.599 -20.466 1.00 0.00 H new ATOM 0 HG11 VAL A 61 32.880 -1.440 -22.921 1.00 0.00 H new ATOM 0 HG12 VAL A 61 31.554 -2.363 -22.175 1.00 0.00 H new ATOM 0 HG13 VAL A 61 31.290 -0.677 -22.680 1.00 0.00 H new ATOM 0 HG21 VAL A 61 33.964 0.432 -21.663 1.00 0.00 H new ATOM 0 HG22 VAL A 61 32.375 1.193 -21.416 1.00 0.00 H new ATOM 0 HG23 VAL A 61 33.417 0.834 -20.018 1.00 0.00 H new ATOM 1136 N SER A 62 31.141 -3.009 -18.874 1.00 0.00 N ATOM 1137 CA SER A 62 30.566 -4.382 -18.684 1.00 0.00 C ATOM 1138 C SER A 62 29.094 -4.275 -18.246 1.00 0.00 C ATOM 1139 O SER A 62 28.267 -5.090 -18.640 1.00 0.00 O ATOM 1140 CB SER A 62 31.354 -5.151 -17.616 1.00 0.00 C ATOM 1141 OG SER A 62 31.059 -4.608 -16.335 1.00 0.00 O ATOM 0 H SER A 62 31.927 -2.777 -18.266 1.00 0.00 H new ATOM 0 HA SER A 62 30.632 -4.918 -19.631 1.00 0.00 H new ATOM 0 HB2 SER A 62 31.092 -6.209 -17.645 1.00 0.00 H new ATOM 0 HB3 SER A 62 32.423 -5.082 -17.816 1.00 0.00 H new ATOM 0 HG SER A 62 31.559 -5.098 -15.649 1.00 0.00 H new ATOM 1142 N SER A 63 28.745 -3.295 -17.436 1.00 0.00 N ATOM 1143 CA SER A 63 27.316 -3.171 -16.990 1.00 0.00 C ATOM 1144 C SER A 63 26.389 -3.000 -18.209 1.00 0.00 C ATOM 1145 O SER A 63 25.264 -3.498 -18.214 1.00 0.00 O ATOM 1146 CB SER A 63 27.149 -1.960 -16.062 1.00 0.00 C ATOM 1147 OG SER A 63 27.267 -2.386 -14.711 1.00 0.00 O ATOM 0 H SER A 63 29.380 -2.586 -17.070 1.00 0.00 H new ATOM 0 HA SER A 63 27.048 -4.080 -16.452 1.00 0.00 H new ATOM 0 HB2 SER A 63 27.906 -1.208 -16.286 1.00 0.00 H new ATOM 0 HB3 SER A 63 26.178 -1.493 -16.225 1.00 0.00 H new ATOM 0 HG SER A 63 27.163 -1.615 -14.115 1.00 0.00 H new ATOM 1148 N ALA A 64 26.828 -2.316 -19.247 1.00 0.00 N ATOM 1149 CA ALA A 64 25.951 -2.139 -20.446 1.00 0.00 C ATOM 1150 C ALA A 64 25.932 -3.432 -21.275 1.00 0.00 C ATOM 1151 O ALA A 64 24.951 -3.717 -21.958 1.00 0.00 O ATOM 1152 CB ALA A 64 26.463 -0.985 -21.319 1.00 0.00 C ATOM 0 H ALA A 64 27.747 -1.879 -19.311 1.00 0.00 H new ATOM 0 HA ALA A 64 24.942 -1.907 -20.105 1.00 0.00 H new ATOM 0 HB1 ALA A 64 25.814 -0.870 -22.187 1.00 0.00 H new ATOM 0 HB2 ALA A 64 26.461 -0.062 -20.739 1.00 0.00 H new ATOM 0 HB3 ALA A 64 27.478 -1.203 -21.651 1.00 0.00 H new ATOM 1153 N THR A 65 26.987 -4.221 -21.245 1.00 0.00 N ATOM 1154 CA THR A 65 26.986 -5.480 -22.051 1.00 0.00 C ATOM 1155 C THR A 65 25.932 -6.455 -21.499 1.00 0.00 C ATOM 1156 O THR A 65 25.281 -7.168 -22.262 1.00 0.00 O ATOM 1157 CB THR A 65 28.368 -6.149 -22.012 1.00 0.00 C ATOM 1158 OG1 THR A 65 29.376 -5.154 -22.121 1.00 0.00 O ATOM 1159 CG2 THR A 65 28.496 -7.137 -23.173 1.00 0.00 C ATOM 0 H THR A 65 27.834 -4.047 -20.704 1.00 0.00 H new ATOM 0 HA THR A 65 26.745 -5.226 -23.083 1.00 0.00 H new ATOM 0 HB THR A 65 28.485 -6.685 -21.070 1.00 0.00 H new ATOM 0 HG1 THR A 65 30.259 -5.579 -22.095 1.00 0.00 H new ATOM 0 HG21 THR A 65 29.478 -7.610 -23.142 1.00 0.00 H new ATOM 0 HG22 THR A 65 27.723 -7.901 -23.088 1.00 0.00 H new ATOM 0 HG23 THR A 65 28.379 -6.606 -24.117 1.00 0.00 H new ATOM 1160 N ASN A 66 25.744 -6.511 -20.195 1.00 0.00 N ATOM 1161 CA ASN A 66 24.724 -7.450 -19.631 1.00 0.00 C ATOM 1162 C ASN A 66 23.316 -6.863 -19.828 1.00 0.00 C ATOM 1163 O ASN A 66 22.367 -7.594 -20.096 1.00 0.00 O ATOM 1164 CB ASN A 66 24.976 -7.675 -18.135 1.00 0.00 C ATOM 1165 CG ASN A 66 24.676 -9.137 -17.778 1.00 0.00 C ATOM 1166 OD1 ASN A 66 23.776 -9.411 -16.987 1.00 0.00 O ATOM 1167 ND2 ASN A 66 25.383 -10.100 -18.318 1.00 0.00 N ATOM 0 H ASN A 66 26.249 -5.952 -19.508 1.00 0.00 H new ATOM 0 HA ASN A 66 24.801 -8.404 -20.152 1.00 0.00 H new ATOM 0 HB2 ASN A 66 26.011 -7.435 -17.890 1.00 0.00 H new ATOM 0 HB3 ASN A 66 24.346 -7.009 -17.545 1.00 0.00 H new ATOM 0 HD21 ASN A 66 25.185 -11.072 -18.081 1.00 0.00 H new ATOM 0 HD22 ASN A 66 26.131 -9.877 -18.975 1.00 0.00 H new ATOM 1168 N ALA A 67 23.152 -5.562 -19.700 1.00 0.00 N ATOM 1169 CA ALA A 67 21.788 -4.961 -19.888 1.00 0.00 C ATOM 1170 C ALA A 67 21.322 -5.103 -21.355 1.00 0.00 C ATOM 1171 O ALA A 67 20.123 -5.079 -21.628 1.00 0.00 O ATOM 1172 CB ALA A 67 21.810 -3.472 -19.515 1.00 0.00 C ATOM 0 H ALA A 67 23.894 -4.899 -19.476 1.00 0.00 H new ATOM 0 HA ALA A 67 21.094 -5.495 -19.239 1.00 0.00 H new ATOM 0 HB1 ALA A 67 20.816 -3.047 -19.655 1.00 0.00 H new ATOM 0 HB2 ALA A 67 22.108 -3.363 -18.472 1.00 0.00 H new ATOM 0 HB3 ALA A 67 22.522 -2.948 -20.152 1.00 0.00 H new ATOM 1173 N LEU A 68 22.224 -5.240 -22.310 1.00 0.00 N ATOM 1174 CA LEU A 68 21.786 -5.368 -23.738 1.00 0.00 C ATOM 1175 C LEU A 68 21.541 -6.846 -24.094 1.00 0.00 C ATOM 1176 O LEU A 68 20.634 -7.162 -24.861 1.00 0.00 O ATOM 1177 CB LEU A 68 22.872 -4.800 -24.663 1.00 0.00 C ATOM 1178 CG LEU A 68 22.241 -4.336 -25.976 1.00 0.00 C ATOM 1179 CD1 LEU A 68 21.894 -2.849 -25.878 1.00 0.00 C ATOM 1180 CD2 LEU A 68 23.233 -4.551 -27.121 1.00 0.00 C ATOM 0 H LEU A 68 23.233 -5.268 -22.160 1.00 0.00 H new ATOM 0 HA LEU A 68 20.858 -4.811 -23.869 1.00 0.00 H new ATOM 0 HB2 LEU A 68 23.377 -3.966 -24.177 1.00 0.00 H new ATOM 0 HB3 LEU A 68 23.628 -5.559 -24.861 1.00 0.00 H new ATOM 0 HG LEU A 68 21.334 -4.910 -26.166 1.00 0.00 H new ATOM 0 HD11 LEU A 68 21.444 -2.518 -26.814 1.00 0.00 H new ATOM 0 HD12 LEU A 68 21.189 -2.693 -25.061 1.00 0.00 H new ATOM 0 HD13 LEU A 68 22.801 -2.275 -25.689 1.00 0.00 H new ATOM 0 HD21 LEU A 68 22.784 -4.221 -28.058 1.00 0.00 H new ATOM 0 HD22 LEU A 68 24.139 -3.976 -26.930 1.00 0.00 H new ATOM 0 HD23 LEU A 68 23.483 -5.610 -27.192 1.00 0.00 H new ATOM 1181 N ARG A 69 22.328 -7.760 -23.565 1.00 0.00 N ATOM 1182 CA ARG A 69 22.116 -9.209 -23.901 1.00 0.00 C ATOM 1183 C ARG A 69 20.776 -9.701 -23.326 1.00 0.00 C ATOM 1184 O ARG A 69 20.102 -10.533 -23.933 1.00 0.00 O ATOM 1185 CB ARG A 69 23.254 -10.064 -23.320 1.00 0.00 C ATOM 1186 CG ARG A 69 24.611 -9.508 -23.775 1.00 0.00 C ATOM 1187 CD ARG A 69 25.231 -10.437 -24.823 1.00 0.00 C ATOM 1188 NE ARG A 69 25.268 -11.831 -24.298 1.00 0.00 N ATOM 1189 CZ ARG A 69 26.133 -12.162 -23.381 1.00 0.00 C ATOM 1190 NH1 ARG A 69 25.856 -11.968 -22.121 1.00 0.00 N ATOM 1191 NH2 ARG A 69 27.278 -12.689 -23.724 1.00 0.00 N ATOM 0 H ARG A 69 23.098 -7.568 -22.924 1.00 0.00 H new ATOM 0 HA ARG A 69 22.104 -9.308 -24.986 1.00 0.00 H new ATOM 0 HB2 ARG A 69 23.199 -10.067 -22.231 1.00 0.00 H new ATOM 0 HB3 ARG A 69 23.147 -11.098 -23.647 1.00 0.00 H new ATOM 0 HG2 ARG A 69 24.483 -8.509 -24.192 1.00 0.00 H new ATOM 0 HG3 ARG A 69 25.280 -9.413 -22.920 1.00 0.00 H new ATOM 0 HD2 ARG A 69 24.650 -10.400 -25.745 1.00 0.00 H new ATOM 0 HD3 ARG A 69 26.239 -10.103 -25.068 1.00 0.00 H new ATOM 0 HE ARG A 69 24.615 -12.528 -24.657 1.00 0.00 H new ATOM 0 HH11 ARG A 69 24.962 -11.557 -21.853 1.00 0.00 H new ATOM 0 HH12 ARG A 69 26.534 -12.227 -21.404 1.00 0.00 H new ATOM 0 HH21 ARG A 69 27.495 -12.841 -24.709 1.00 0.00 H new ATOM 0 HH22 ARG A 69 27.955 -12.948 -23.007 1.00 0.00 H new ATOM 1192 N SER A 70 20.374 -9.219 -22.172 1.00 0.00 N ATOM 1193 CA SER A 70 19.082 -9.682 -21.578 1.00 0.00 C ATOM 1194 C SER A 70 17.918 -8.811 -22.082 1.00 0.00 C ATOM 1195 O SER A 70 16.805 -9.303 -22.262 1.00 0.00 O ATOM 1196 CB SER A 70 19.151 -9.598 -20.050 1.00 0.00 C ATOM 1197 OG SER A 70 18.148 -10.434 -19.488 1.00 0.00 O ATOM 0 H SER A 70 20.883 -8.529 -21.620 1.00 0.00 H new ATOM 0 HA SER A 70 18.913 -10.715 -21.881 1.00 0.00 H new ATOM 0 HB2 SER A 70 20.136 -9.908 -19.701 1.00 0.00 H new ATOM 0 HB3 SER A 70 19.007 -8.568 -19.724 1.00 0.00 H new ATOM 0 HG SER A 70 18.190 -10.384 -18.510 1.00 0.00 H new ATOM 1198 N MET A 71 18.135 -7.531 -22.312 1.00 0.00 N ATOM 1199 CA MET A 71 17.019 -6.667 -22.797 1.00 0.00 C ATOM 1200 C MET A 71 17.146 -6.431 -24.312 1.00 0.00 C ATOM 1201 O MET A 71 16.791 -5.363 -24.809 1.00 0.00 O ATOM 1202 CB MET A 71 17.060 -5.323 -22.066 1.00 0.00 C ATOM 1203 CG MET A 71 16.889 -5.554 -20.563 1.00 0.00 C ATOM 1204 SD MET A 71 15.966 -4.173 -19.843 1.00 0.00 S ATOM 1205 CE MET A 71 14.401 -5.049 -19.598 1.00 0.00 C ATOM 0 H MET A 71 19.030 -7.058 -22.184 1.00 0.00 H new ATOM 0 HA MET A 71 16.072 -7.167 -22.596 1.00 0.00 H new ATOM 0 HB2 MET A 71 18.007 -4.819 -22.262 1.00 0.00 H new ATOM 0 HB3 MET A 71 16.269 -4.671 -22.437 1.00 0.00 H new ATOM 0 HG2 MET A 71 16.360 -6.491 -20.386 1.00 0.00 H new ATOM 0 HG3 MET A 71 17.864 -5.643 -20.084 1.00 0.00 H new ATOM 0 HE1 MET A 71 13.671 -4.372 -19.154 1.00 0.00 H new ATOM 0 HE2 MET A 71 14.029 -5.405 -20.559 1.00 0.00 H new ATOM 0 HE3 MET A 71 14.559 -5.898 -18.933 1.00 0.00 H new ATOM 1206 N GLN A 72 17.627 -7.399 -25.065 1.00 0.00 N ATOM 1207 CA GLN A 72 17.744 -7.199 -26.544 1.00 0.00 C ATOM 1208 C GLN A 72 16.348 -7.339 -27.167 1.00 0.00 C ATOM 1209 O GLN A 72 15.886 -8.449 -27.430 1.00 0.00 O ATOM 1210 CB GLN A 72 18.683 -8.252 -27.153 1.00 0.00 C ATOM 1211 CG GLN A 72 18.837 -8.003 -28.657 1.00 0.00 C ATOM 1212 CD GLN A 72 20.188 -7.329 -28.931 1.00 0.00 C ATOM 1213 OE1 GLN A 72 21.162 -8.002 -29.260 1.00 0.00 O ATOM 1214 NE2 GLN A 72 20.307 -6.029 -28.815 1.00 0.00 N ATOM 0 H GLN A 72 17.939 -8.307 -24.721 1.00 0.00 H new ATOM 0 HA GLN A 72 18.153 -6.209 -26.746 1.00 0.00 H new ATOM 0 HB2 GLN A 72 19.657 -8.208 -26.666 1.00 0.00 H new ATOM 0 HB3 GLN A 72 18.284 -9.252 -26.980 1.00 0.00 H new ATOM 0 HG2 GLN A 72 18.773 -8.946 -29.200 1.00 0.00 H new ATOM 0 HG3 GLN A 72 18.024 -7.372 -29.016 1.00 0.00 H new ATOM 0 HE21 GLN A 72 19.502 -5.465 -28.542 1.00 0.00 H new ATOM 0 HE22 GLN A 72 21.205 -5.581 -28.998 1.00 0.00 H new ATOM 1215 N GLY A 73 15.653 -6.245 -27.393 1.00 0.00 N ATOM 1216 CA GLY A 73 14.285 -6.344 -27.976 1.00 0.00 C ATOM 1217 C GLY A 73 13.311 -6.781 -26.875 1.00 0.00 C ATOM 1218 O GLY A 73 12.677 -7.830 -26.974 1.00 0.00 O ATOM 0 H GLY A 73 15.976 -5.297 -27.198 1.00 0.00 H new ATOM 0 HA2 GLY A 73 13.980 -5.383 -28.390 1.00 0.00 H new ATOM 0 HA3 GLY A 73 14.275 -7.062 -28.796 1.00 0.00 H new ATOM 1219 N PHE A 74 13.185 -6.006 -25.816 1.00 0.00 N ATOM 1220 CA PHE A 74 12.259 -6.401 -24.715 1.00 0.00 C ATOM 1221 C PHE A 74 11.141 -5.356 -24.570 1.00 0.00 C ATOM 1222 O PHE A 74 11.302 -4.221 -25.011 1.00 0.00 O ATOM 1223 CB PHE A 74 13.041 -6.493 -23.401 1.00 0.00 C ATOM 1224 CG PHE A 74 13.441 -7.928 -23.153 1.00 0.00 C ATOM 1225 CD1 PHE A 74 14.155 -8.633 -24.128 1.00 0.00 C ATOM 1226 CD2 PHE A 74 13.099 -8.552 -21.947 1.00 0.00 C ATOM 1227 CE1 PHE A 74 14.526 -9.964 -23.900 1.00 0.00 C ATOM 1228 CE2 PHE A 74 13.470 -9.882 -21.717 1.00 0.00 C ATOM 1229 CZ PHE A 74 14.184 -10.588 -22.694 1.00 0.00 C ATOM 0 H PHE A 74 13.681 -5.126 -25.674 1.00 0.00 H new ATOM 0 HA PHE A 74 11.817 -7.369 -24.949 1.00 0.00 H new ATOM 0 HB2 PHE A 74 13.927 -5.860 -23.448 1.00 0.00 H new ATOM 0 HB3 PHE A 74 12.431 -6.126 -22.576 1.00 0.00 H new ATOM 0 HD1 PHE A 74 14.420 -8.150 -25.057 1.00 0.00 H new ATOM 0 HD2 PHE A 74 12.549 -8.007 -21.194 1.00 0.00 H new ATOM 0 HE1 PHE A 74 15.075 -10.509 -24.654 1.00 0.00 H new ATOM 0 HE2 PHE A 74 13.206 -10.364 -20.787 1.00 0.00 H new ATOM 0 HZ PHE A 74 14.471 -11.614 -22.517 1.00 0.00 H new ATOM 1230 N PRO A 75 10.033 -5.744 -23.959 1.00 0.00 N ATOM 1231 CA PRO A 75 8.896 -4.830 -23.760 1.00 0.00 C ATOM 1232 C PRO A 75 9.195 -3.858 -22.610 1.00 0.00 C ATOM 1233 O PRO A 75 9.778 -4.243 -21.597 1.00 0.00 O ATOM 1234 CB PRO A 75 7.733 -5.762 -23.407 1.00 0.00 C ATOM 1235 CG PRO A 75 8.366 -7.068 -22.874 1.00 0.00 C ATOM 1236 CD PRO A 75 9.808 -7.107 -23.410 1.00 0.00 C ATOM 0 HA PRO A 75 8.681 -4.214 -24.633 1.00 0.00 H new ATOM 0 HB2 PRO A 75 7.087 -5.309 -22.655 1.00 0.00 H new ATOM 0 HB3 PRO A 75 7.114 -5.959 -24.282 1.00 0.00 H new ATOM 0 HG2 PRO A 75 8.357 -7.087 -21.784 1.00 0.00 H new ATOM 0 HG3 PRO A 75 7.803 -7.938 -23.212 1.00 0.00 H new ATOM 0 HD2 PRO A 75 10.520 -7.340 -22.618 1.00 0.00 H new ATOM 0 HD3 PRO A 75 9.926 -7.870 -24.179 1.00 0.00 H new ATOM 1237 N PHE A 76 8.817 -2.606 -22.741 1.00 0.00 N ATOM 1238 CA PHE A 76 9.094 -1.629 -21.652 1.00 0.00 C ATOM 1239 C PHE A 76 7.840 -0.772 -21.413 1.00 0.00 C ATOM 1240 O PHE A 76 7.276 -0.775 -20.320 1.00 0.00 O ATOM 1241 CB PHE A 76 10.277 -0.740 -22.069 1.00 0.00 C ATOM 1242 CG PHE A 76 10.495 0.368 -21.060 1.00 0.00 C ATOM 1243 CD1 PHE A 76 10.491 0.086 -19.687 1.00 0.00 C ATOM 1244 CD2 PHE A 76 10.697 1.681 -21.503 1.00 0.00 C ATOM 1245 CE1 PHE A 76 10.688 1.117 -18.761 1.00 0.00 C ATOM 1246 CE2 PHE A 76 10.897 2.710 -20.578 1.00 0.00 C ATOM 1247 CZ PHE A 76 10.892 2.428 -19.207 1.00 0.00 C ATOM 0 H PHE A 76 8.331 -2.226 -23.553 1.00 0.00 H new ATOM 0 HA PHE A 76 9.347 -2.151 -20.729 1.00 0.00 H new ATOM 0 HB2 PHE A 76 11.180 -1.344 -22.154 1.00 0.00 H new ATOM 0 HB3 PHE A 76 10.087 -0.311 -23.053 1.00 0.00 H new ATOM 0 HD1 PHE A 76 10.336 -0.926 -19.344 1.00 0.00 H new ATOM 0 HD2 PHE A 76 10.698 1.899 -22.561 1.00 0.00 H new ATOM 0 HE1 PHE A 76 10.683 0.901 -17.703 1.00 0.00 H new ATOM 0 HE2 PHE A 76 11.055 3.722 -20.921 1.00 0.00 H new ATOM 0 HZ PHE A 76 11.046 3.223 -18.492 1.00 0.00 H new ATOM 1248 N TYR A 77 7.393 -0.033 -22.405 1.00 0.00 N ATOM 1249 CA TYR A 77 6.187 0.815 -22.212 1.00 0.00 C ATOM 1250 C TYR A 77 5.061 0.328 -23.137 1.00 0.00 C ATOM 1251 O TYR A 77 4.705 0.999 -24.105 1.00 0.00 O ATOM 1252 CB TYR A 77 6.536 2.270 -22.541 1.00 0.00 C ATOM 1253 CG TYR A 77 6.853 3.032 -21.268 1.00 0.00 C ATOM 1254 CD1 TYR A 77 7.673 2.463 -20.285 1.00 0.00 C ATOM 1255 CD2 TYR A 77 6.325 4.312 -21.080 1.00 0.00 C ATOM 1256 CE1 TYR A 77 7.962 3.176 -19.118 1.00 0.00 C ATOM 1257 CE2 TYR A 77 6.615 5.030 -19.910 1.00 0.00 C ATOM 1258 CZ TYR A 77 7.435 4.459 -18.929 1.00 0.00 C ATOM 1259 OH TYR A 77 7.720 5.161 -17.776 1.00 0.00 O ATOM 0 H TYR A 77 7.814 0.014 -23.333 1.00 0.00 H new ATOM 0 HA TYR A 77 5.852 0.747 -21.177 1.00 0.00 H new ATOM 0 HB2 TYR A 77 7.391 2.303 -23.216 1.00 0.00 H new ATOM 0 HB3 TYR A 77 5.702 2.744 -23.059 1.00 0.00 H new ATOM 0 HD1 TYR A 77 8.082 1.474 -20.429 1.00 0.00 H new ATOM 0 HD2 TYR A 77 5.692 4.750 -21.837 1.00 0.00 H new ATOM 0 HE1 TYR A 77 8.593 2.736 -18.360 1.00 0.00 H new ATOM 0 HE2 TYR A 77 6.207 6.020 -19.766 1.00 0.00 H new ATOM 0 HH TYR A 77 8.691 5.218 -17.659 1.00 0.00 H new ATOM 1260 N ASP A 78 4.487 -0.825 -22.862 1.00 0.00 N ATOM 1261 CA ASP A 78 3.386 -1.337 -23.729 1.00 0.00 C ATOM 1262 C ASP A 78 3.878 -1.457 -25.179 1.00 0.00 C ATOM 1263 O ASP A 78 3.161 -1.107 -26.115 1.00 0.00 O ATOM 1264 CB ASP A 78 2.201 -0.370 -23.674 1.00 0.00 C ATOM 1265 CG ASP A 78 1.680 -0.281 -22.239 1.00 0.00 C ATOM 1266 OD1 ASP A 78 2.474 0.005 -21.358 1.00 0.00 O ATOM 1267 OD2 ASP A 78 0.496 -0.500 -22.044 1.00 0.00 O ATOM 0 H ASP A 78 4.736 -1.426 -22.077 1.00 0.00 H new ATOM 0 HA ASP A 78 3.075 -2.319 -23.371 1.00 0.00 H new ATOM 0 HB2 ASP A 78 2.507 0.616 -24.023 1.00 0.00 H new ATOM 0 HB3 ASP A 78 1.408 -0.712 -24.339 1.00 0.00 H new ATOM 1268 N LYS A 79 5.083 -1.944 -25.394 1.00 0.00 N ATOM 1269 CA LYS A 79 5.590 -2.075 -26.797 1.00 0.00 C ATOM 1270 C LYS A 79 7.003 -2.697 -26.797 1.00 0.00 C ATOM 1271 O LYS A 79 7.736 -2.548 -25.823 1.00 0.00 O ATOM 1272 CB LYS A 79 5.643 -0.681 -27.447 1.00 0.00 C ATOM 1273 CG LYS A 79 4.869 -0.685 -28.774 1.00 0.00 C ATOM 1274 CD LYS A 79 5.712 -0.023 -29.868 1.00 0.00 C ATOM 1275 CE LYS A 79 4.793 0.585 -30.931 1.00 0.00 C ATOM 1276 NZ LYS A 79 4.680 -0.351 -32.085 1.00 0.00 N ATOM 0 H LYS A 79 5.728 -2.252 -24.666 1.00 0.00 H new ATOM 0 HA LYS A 79 4.919 -2.723 -27.362 1.00 0.00 H new ATOM 0 HB2 LYS A 79 5.216 0.060 -26.771 1.00 0.00 H new ATOM 0 HB3 LYS A 79 6.679 -0.393 -27.623 1.00 0.00 H new ATOM 0 HG2 LYS A 79 4.624 -1.708 -29.060 1.00 0.00 H new ATOM 0 HG3 LYS A 79 3.925 -0.152 -28.657 1.00 0.00 H new ATOM 0 HD2 LYS A 79 6.345 0.752 -29.434 1.00 0.00 H new ATOM 0 HD3 LYS A 79 6.375 -0.758 -30.324 1.00 0.00 H new ATOM 0 HE2 LYS A 79 3.807 0.778 -30.508 1.00 0.00 H new ATOM 0 HE3 LYS A 79 5.190 1.544 -31.264 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 4.056 0.062 -32.807 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 5.622 -0.513 -32.494 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 4.283 -1.256 -31.761 1.00 0.00 H new ATOM 1277 N PRO A 80 7.364 -3.375 -27.874 1.00 0.00 N ATOM 1278 CA PRO A 80 8.690 -4.009 -27.985 1.00 0.00 C ATOM 1279 C PRO A 80 9.752 -2.952 -28.329 1.00 0.00 C ATOM 1280 O PRO A 80 9.460 -1.964 -29.000 1.00 0.00 O ATOM 1281 CB PRO A 80 8.523 -5.010 -29.132 1.00 0.00 C ATOM 1282 CG PRO A 80 7.328 -4.512 -29.977 1.00 0.00 C ATOM 1283 CD PRO A 80 6.506 -3.576 -29.071 1.00 0.00 C ATOM 0 HA PRO A 80 9.017 -4.487 -27.061 1.00 0.00 H new ATOM 0 HB2 PRO A 80 9.429 -5.064 -29.735 1.00 0.00 H new ATOM 0 HB3 PRO A 80 8.336 -6.013 -28.748 1.00 0.00 H new ATOM 0 HG2 PRO A 80 7.675 -3.984 -30.865 1.00 0.00 H new ATOM 0 HG3 PRO A 80 6.721 -5.350 -30.321 1.00 0.00 H new ATOM 0 HD2 PRO A 80 6.289 -2.631 -29.568 1.00 0.00 H new ATOM 0 HD3 PRO A 80 5.548 -4.022 -28.803 1.00 0.00 H new ATOM 1284 N MET A 81 10.978 -3.131 -27.884 1.00 0.00 N ATOM 1285 CA MET A 81 12.034 -2.120 -28.196 1.00 0.00 C ATOM 1286 C MET A 81 13.406 -2.804 -28.295 1.00 0.00 C ATOM 1287 O MET A 81 13.878 -3.420 -27.338 1.00 0.00 O ATOM 1288 CB MET A 81 12.072 -1.043 -27.103 1.00 0.00 C ATOM 1289 CG MET A 81 12.031 -1.690 -25.714 1.00 0.00 C ATOM 1290 SD MET A 81 12.428 -0.450 -24.458 1.00 0.00 S ATOM 1291 CE MET A 81 13.711 -1.397 -23.604 1.00 0.00 C ATOM 0 H MET A 81 11.286 -3.926 -27.324 1.00 0.00 H new ATOM 0 HA MET A 81 11.798 -1.651 -29.151 1.00 0.00 H new ATOM 0 HB2 MET A 81 12.977 -0.444 -27.205 1.00 0.00 H new ATOM 0 HB3 MET A 81 11.226 -0.366 -27.221 1.00 0.00 H new ATOM 0 HG2 MET A 81 11.043 -2.110 -25.526 1.00 0.00 H new ATOM 0 HG3 MET A 81 12.742 -2.514 -25.664 1.00 0.00 H new ATOM 0 HE1 MET A 81 14.250 -0.743 -22.918 1.00 0.00 H new ATOM 0 HE2 MET A 81 13.250 -2.211 -23.044 1.00 0.00 H new ATOM 0 HE3 MET A 81 14.407 -1.808 -24.335 1.00 0.00 H new ATOM 1292 N ARG A 82 14.067 -2.701 -29.431 1.00 0.00 N ATOM 1293 CA ARG A 82 15.411 -3.335 -29.573 1.00 0.00 C ATOM 1294 C ARG A 82 16.482 -2.316 -29.175 1.00 0.00 C ATOM 1295 O ARG A 82 16.273 -1.108 -29.293 1.00 0.00 O ATOM 1296 CB ARG A 82 15.632 -3.772 -31.025 1.00 0.00 C ATOM 1297 CG ARG A 82 14.999 -5.147 -31.247 1.00 0.00 C ATOM 1298 CD ARG A 82 15.019 -5.485 -32.739 1.00 0.00 C ATOM 1299 NE ARG A 82 16.352 -6.041 -33.104 1.00 0.00 N ATOM 1300 CZ ARG A 82 17.228 -5.289 -33.715 1.00 0.00 C ATOM 1301 NH1 ARG A 82 16.869 -4.573 -34.745 1.00 0.00 N ATOM 1302 NH2 ARG A 82 18.463 -5.253 -33.293 1.00 0.00 N ATOM 0 H ARG A 82 13.731 -2.207 -30.257 1.00 0.00 H new ATOM 0 HA ARG A 82 15.473 -4.212 -28.928 1.00 0.00 H new ATOM 0 HB2 ARG A 82 15.192 -3.043 -31.706 1.00 0.00 H new ATOM 0 HB3 ARG A 82 16.699 -3.811 -31.246 1.00 0.00 H new ATOM 0 HG2 ARG A 82 15.544 -5.905 -30.685 1.00 0.00 H new ATOM 0 HG3 ARG A 82 13.974 -5.151 -30.876 1.00 0.00 H new ATOM 0 HD2 ARG A 82 14.236 -6.207 -32.970 1.00 0.00 H new ATOM 0 HD3 ARG A 82 14.812 -4.592 -33.328 1.00 0.00 H new ATOM 0 HE ARG A 82 16.581 -7.009 -32.877 1.00 0.00 H new ATOM 0 HH11 ARG A 82 15.904 -4.600 -35.074 1.00 0.00 H new ATOM 0 HH12 ARG A 82 17.554 -3.986 -35.222 1.00 0.00 H new ATOM 0 HH21 ARG A 82 18.743 -5.812 -32.487 1.00 0.00 H new ATOM 0 HH22 ARG A 82 19.148 -4.666 -33.769 1.00 0.00 H new ATOM 1303 N ILE A 83 17.618 -2.764 -28.691 1.00 0.00 N ATOM 1304 CA ILE A 83 18.672 -1.794 -28.278 1.00 0.00 C ATOM 1305 C ILE A 83 20.011 -2.133 -28.951 1.00 0.00 C ATOM 1306 O ILE A 83 20.411 -3.293 -29.022 1.00 0.00 O ATOM 1307 CB ILE A 83 18.848 -1.848 -26.761 1.00 0.00 C ATOM 1308 CG1 ILE A 83 17.493 -1.648 -26.081 1.00 0.00 C ATOM 1309 CG2 ILE A 83 19.807 -0.742 -26.320 1.00 0.00 C ATOM 1310 CD1 ILE A 83 17.642 -1.897 -24.583 1.00 0.00 C ATOM 0 H ILE A 83 17.855 -3.748 -28.567 1.00 0.00 H new ATOM 0 HA ILE A 83 18.364 -0.794 -28.584 1.00 0.00 H new ATOM 0 HB ILE A 83 19.256 -2.818 -26.478 1.00 0.00 H new ATOM 0 HG12 ILE A 83 17.129 -0.636 -26.259 1.00 0.00 H new ATOM 0 HG13 ILE A 83 16.756 -2.331 -26.504 1.00 0.00 H new ATOM 0 HG21 ILE A 83 19.933 -0.780 -25.238 1.00 0.00 H new ATOM 0 HG22 ILE A 83 20.774 -0.885 -26.803 1.00 0.00 H new ATOM 0 HG23 ILE A 83 19.399 0.228 -26.604 1.00 0.00 H new ATOM 0 HD11 ILE A 83 16.679 -1.756 -24.093 1.00 0.00 H new ATOM 0 HD12 ILE A 83 17.988 -2.917 -24.416 1.00 0.00 H new ATOM 0 HD13 ILE A 83 18.366 -1.196 -24.168 1.00 0.00 H new ATOM 1311 N GLN A 84 20.722 -1.135 -29.429 1.00 0.00 N ATOM 1312 CA GLN A 84 22.039 -1.388 -30.074 1.00 0.00 C ATOM 1313 C GLN A 84 23.086 -0.508 -29.380 1.00 0.00 C ATOM 1314 O GLN A 84 22.779 0.605 -28.961 1.00 0.00 O ATOM 1315 CB GLN A 84 21.969 -1.025 -31.560 1.00 0.00 C ATOM 1316 CG GLN A 84 20.767 -1.717 -32.216 1.00 0.00 C ATOM 1317 CD GLN A 84 19.985 -0.701 -33.063 1.00 0.00 C ATOM 1318 OE1 GLN A 84 19.735 -0.939 -34.242 1.00 0.00 O ATOM 1319 NE2 GLN A 84 19.582 0.425 -32.527 1.00 0.00 N ATOM 0 H GLN A 84 20.439 -0.155 -29.396 1.00 0.00 H new ATOM 0 HA GLN A 84 22.305 -2.441 -29.983 1.00 0.00 H new ATOM 0 HB2 GLN A 84 21.883 0.056 -31.675 1.00 0.00 H new ATOM 0 HB3 GLN A 84 22.889 -1.327 -32.060 1.00 0.00 H new ATOM 0 HG2 GLN A 84 21.107 -2.542 -32.842 1.00 0.00 H new ATOM 0 HG3 GLN A 84 20.118 -2.143 -31.451 1.00 0.00 H new ATOM 0 HE21 GLN A 84 19.788 0.626 -31.548 1.00 0.00 H new ATOM 0 HE22 GLN A 84 19.063 1.100 -33.088 1.00 0.00 H new ATOM 1320 N TYR A 85 24.309 -0.974 -29.236 1.00 0.00 N ATOM 1321 CA TYR A 85 25.353 -0.136 -28.546 1.00 0.00 C ATOM 1322 C TYR A 85 25.371 1.286 -29.141 1.00 0.00 C ATOM 1323 O TYR A 85 25.309 1.461 -30.356 1.00 0.00 O ATOM 1324 CB TYR A 85 26.743 -0.763 -28.719 1.00 0.00 C ATOM 1325 CG TYR A 85 26.931 -1.893 -27.730 1.00 0.00 C ATOM 1326 CD1 TYR A 85 26.625 -1.709 -26.372 1.00 0.00 C ATOM 1327 CD2 TYR A 85 27.420 -3.127 -28.175 1.00 0.00 C ATOM 1328 CE1 TYR A 85 26.814 -2.759 -25.465 1.00 0.00 C ATOM 1329 CE2 TYR A 85 27.605 -4.175 -27.267 1.00 0.00 C ATOM 1330 CZ TYR A 85 27.304 -3.992 -25.916 1.00 0.00 C ATOM 1331 OH TYR A 85 27.494 -5.025 -25.025 1.00 0.00 O ATOM 0 H TYR A 85 24.628 -1.887 -29.561 1.00 0.00 H new ATOM 0 HA TYR A 85 25.105 -0.089 -27.486 1.00 0.00 H new ATOM 0 HB2 TYR A 85 26.858 -1.137 -29.736 1.00 0.00 H new ATOM 0 HB3 TYR A 85 27.513 -0.006 -28.569 1.00 0.00 H new ATOM 0 HD1 TYR A 85 26.244 -0.759 -26.027 1.00 0.00 H new ATOM 0 HD2 TYR A 85 27.654 -3.270 -29.220 1.00 0.00 H new ATOM 0 HE1 TYR A 85 26.582 -2.619 -24.419 1.00 0.00 H new ATOM 0 HE2 TYR A 85 27.981 -5.127 -27.612 1.00 0.00 H new ATOM 0 HH TYR A 85 27.168 -5.861 -25.419 1.00 0.00 H new ATOM 1332 N ALA A 86 25.448 2.308 -28.310 1.00 0.00 N ATOM 1333 CA ALA A 86 25.461 3.710 -28.847 1.00 0.00 C ATOM 1334 C ALA A 86 26.570 3.849 -29.904 1.00 0.00 C ATOM 1335 O ALA A 86 27.289 2.892 -30.190 1.00 0.00 O ATOM 1336 CB ALA A 86 25.716 4.714 -27.713 1.00 0.00 C ATOM 0 H ALA A 86 25.502 2.231 -27.294 1.00 0.00 H new ATOM 0 HA ALA A 86 24.491 3.920 -29.298 1.00 0.00 H new ATOM 0 HB1 ALA A 86 25.723 5.726 -28.118 1.00 0.00 H new ATOM 0 HB2 ALA A 86 24.927 4.627 -26.966 1.00 0.00 H new ATOM 0 HB3 ALA A 86 26.680 4.502 -27.249 1.00 0.00 H new ATOM 1337 N LYS A 87 26.729 5.015 -30.493 1.00 0.00 N ATOM 1338 CA LYS A 87 27.793 5.187 -31.525 1.00 0.00 C ATOM 1339 C LYS A 87 29.074 5.716 -30.864 1.00 0.00 C ATOM 1340 O LYS A 87 30.165 5.203 -31.109 1.00 0.00 O ATOM 1341 CB LYS A 87 27.326 6.181 -32.593 1.00 0.00 C ATOM 1342 CG LYS A 87 26.081 5.634 -33.293 1.00 0.00 C ATOM 1343 CD LYS A 87 25.340 6.781 -33.983 1.00 0.00 C ATOM 1344 CE LYS A 87 24.384 6.211 -35.034 1.00 0.00 C ATOM 1345 NZ LYS A 87 25.074 6.155 -36.354 1.00 0.00 N ATOM 0 H LYS A 87 26.170 5.846 -30.302 1.00 0.00 H new ATOM 0 HA LYS A 87 27.995 4.223 -31.992 1.00 0.00 H new ATOM 0 HB2 LYS A 87 27.104 7.145 -32.135 1.00 0.00 H new ATOM 0 HB3 LYS A 87 28.120 6.349 -33.320 1.00 0.00 H new ATOM 0 HG2 LYS A 87 26.365 4.878 -34.025 1.00 0.00 H new ATOM 0 HG3 LYS A 87 25.427 5.148 -32.569 1.00 0.00 H new ATOM 0 HD2 LYS A 87 24.784 7.364 -33.248 1.00 0.00 H new ATOM 0 HD3 LYS A 87 26.053 7.458 -34.453 1.00 0.00 H new ATOM 0 HE2 LYS A 87 24.056 5.214 -34.740 1.00 0.00 H new ATOM 0 HE3 LYS A 87 23.491 6.832 -35.104 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 24.425 5.768 -37.069 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 25.366 7.113 -36.634 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 25.913 5.545 -36.281 1.00 0.00 H new ATOM 1346 N THR A 88 28.972 6.731 -30.034 1.00 0.00 N ATOM 1347 CA THR A 88 30.191 7.276 -29.375 1.00 0.00 C ATOM 1348 C THR A 88 30.146 6.968 -27.871 1.00 0.00 C ATOM 1349 O THR A 88 29.188 6.376 -27.377 1.00 0.00 O ATOM 1350 CB THR A 88 30.251 8.791 -29.585 1.00 0.00 C ATOM 1351 OG1 THR A 88 28.966 9.351 -29.349 1.00 0.00 O ATOM 1352 CG2 THR A 88 30.684 9.092 -31.021 1.00 0.00 C ATOM 0 H THR A 88 28.099 7.199 -29.790 1.00 0.00 H new ATOM 0 HA THR A 88 31.076 6.813 -29.812 1.00 0.00 H new ATOM 0 HB THR A 88 30.971 9.226 -28.892 1.00 0.00 H new ATOM 0 HG1 THR A 88 29.003 10.321 -29.481 1.00 0.00 H new ATOM 0 HG21 THR A 88 30.726 10.171 -31.170 1.00 0.00 H new ATOM 0 HG22 THR A 88 31.669 8.662 -31.202 1.00 0.00 H new ATOM 0 HG23 THR A 88 29.965 8.658 -31.716 1.00 0.00 H new ATOM 1353 N ASP A 89 31.161 7.359 -27.126 1.00 0.00 N ATOM 1354 CA ASP A 89 31.152 7.079 -25.656 1.00 0.00 C ATOM 1355 C ASP A 89 30.313 8.149 -24.942 1.00 0.00 C ATOM 1356 O ASP A 89 29.673 8.978 -25.588 1.00 0.00 O ATOM 1357 CB ASP A 89 32.584 7.103 -25.107 1.00 0.00 C ATOM 1358 CG ASP A 89 33.480 6.219 -25.977 1.00 0.00 C ATOM 1359 OD1 ASP A 89 33.399 5.010 -25.840 1.00 0.00 O ATOM 1360 OD2 ASP A 89 34.233 6.768 -26.766 1.00 0.00 O ATOM 0 H ASP A 89 31.983 7.854 -27.471 1.00 0.00 H new ATOM 0 HA ASP A 89 30.721 6.093 -25.481 1.00 0.00 H new ATOM 0 HB2 ASP A 89 32.964 8.125 -25.096 1.00 0.00 H new ATOM 0 HB3 ASP A 89 32.596 6.748 -24.076 1.00 0.00 H new ATOM 1361 N SER A 90 30.297 8.154 -23.627 1.00 0.00 N ATOM 1362 CA SER A 90 29.493 9.178 -22.899 1.00 0.00 C ATOM 1363 C SER A 90 30.411 10.313 -22.423 1.00 0.00 C ATOM 1364 O SER A 90 31.594 10.098 -22.164 1.00 0.00 O ATOM 1365 CB SER A 90 28.814 8.531 -21.690 1.00 0.00 C ATOM 1366 OG SER A 90 28.510 9.533 -20.730 1.00 0.00 O ATOM 0 H SER A 90 30.804 7.496 -23.035 1.00 0.00 H new ATOM 0 HA SER A 90 28.734 9.583 -23.569 1.00 0.00 H new ATOM 0 HB2 SER A 90 27.903 8.020 -22.001 1.00 0.00 H new ATOM 0 HB3 SER A 90 29.468 7.777 -21.251 1.00 0.00 H new ATOM 0 HG SER A 90 27.615 9.893 -20.905 1.00 0.00 H new ATOM 1367 N ASP A 91 29.897 11.518 -22.302 1.00 0.00 N ATOM 1368 CA ASP A 91 30.757 12.652 -21.840 1.00 0.00 C ATOM 1369 C ASP A 91 30.866 12.643 -20.306 1.00 0.00 C ATOM 1370 O ASP A 91 31.885 13.056 -19.754 1.00 0.00 O ATOM 1371 CB ASP A 91 30.162 13.988 -22.301 1.00 0.00 C ATOM 1372 CG ASP A 91 30.663 14.311 -23.710 1.00 0.00 C ATOM 1373 OD1 ASP A 91 31.835 14.620 -23.845 1.00 0.00 O ATOM 1374 OD2 ASP A 91 29.865 14.242 -24.631 1.00 0.00 O ATOM 0 H ASP A 91 28.927 11.761 -22.502 1.00 0.00 H new ATOM 0 HA ASP A 91 31.750 12.532 -22.272 1.00 0.00 H new ATOM 0 HB2 ASP A 91 29.073 13.935 -22.294 1.00 0.00 H new ATOM 0 HB3 ASP A 91 30.447 14.782 -21.611 1.00 0.00 H new ATOM 1375 N ILE A 92 29.850 12.196 -19.596 1.00 0.00 N ATOM 1376 CA ILE A 92 29.947 12.182 -18.103 1.00 0.00 C ATOM 1377 C ILE A 92 31.150 11.322 -17.651 1.00 0.00 C ATOM 1378 O ILE A 92 31.726 11.579 -16.598 1.00 0.00 O ATOM 1379 CB ILE A 92 28.650 11.647 -17.469 1.00 0.00 C ATOM 1380 CG1 ILE A 92 28.223 10.327 -18.132 1.00 0.00 C ATOM 1381 CG2 ILE A 92 27.539 12.685 -17.640 1.00 0.00 C ATOM 1382 CD1 ILE A 92 27.791 9.324 -17.059 1.00 0.00 C ATOM 0 H ILE A 92 28.973 11.846 -19.982 1.00 0.00 H new ATOM 0 HA ILE A 92 30.095 13.208 -17.766 1.00 0.00 H new ATOM 0 HB ILE A 92 28.829 11.461 -16.410 1.00 0.00 H new ATOM 0 HG12 ILE A 92 27.402 10.507 -18.826 1.00 0.00 H new ATOM 0 HG13 ILE A 92 29.049 9.918 -18.714 1.00 0.00 H new ATOM 0 HG21 ILE A 92 26.619 12.310 -17.192 1.00 0.00 H new ATOM 0 HG22 ILE A 92 27.830 13.613 -17.148 1.00 0.00 H new ATOM 0 HG23 ILE A 92 27.376 12.872 -18.701 1.00 0.00 H new ATOM 0 HD11 ILE A 92 27.489 8.390 -17.534 1.00 0.00 H new ATOM 0 HD12 ILE A 92 28.624 9.134 -16.382 1.00 0.00 H new ATOM 0 HD13 ILE A 92 26.952 9.732 -16.496 1.00 0.00 H new ATOM 1383 N ILE A 93 31.564 10.323 -18.416 1.00 0.00 N ATOM 1384 CA ILE A 93 32.746 9.496 -17.990 1.00 0.00 C ATOM 1385 C ILE A 93 34.049 10.254 -18.336 1.00 0.00 C ATOM 1386 O ILE A 93 35.060 10.100 -17.655 1.00 0.00 O ATOM 1387 CB ILE A 93 32.724 8.112 -18.688 1.00 0.00 C ATOM 1388 CG1 ILE A 93 31.660 7.224 -18.037 1.00 0.00 C ATOM 1389 CG2 ILE A 93 34.084 7.410 -18.542 1.00 0.00 C ATOM 1390 CD1 ILE A 93 30.277 7.813 -18.282 1.00 0.00 C ATOM 0 H ILE A 93 31.139 10.052 -19.303 1.00 0.00 H new ATOM 0 HA ILE A 93 32.698 9.331 -16.914 1.00 0.00 H new ATOM 0 HB ILE A 93 32.502 8.268 -19.744 1.00 0.00 H new ATOM 0 HG12 ILE A 93 31.714 6.216 -18.447 1.00 0.00 H new ATOM 0 HG13 ILE A 93 31.846 7.143 -16.966 1.00 0.00 H new ATOM 0 HG21 ILE A 93 34.048 6.440 -19.038 1.00 0.00 H new ATOM 0 HG22 ILE A 93 34.861 8.023 -18.999 1.00 0.00 H new ATOM 0 HG23 ILE A 93 34.309 7.268 -17.485 1.00 0.00 H new ATOM 0 HD11 ILE A 93 29.523 7.178 -17.817 1.00 0.00 H new ATOM 0 HD12 ILE A 93 30.226 8.813 -17.850 1.00 0.00 H new ATOM 0 HD13 ILE A 93 30.091 7.871 -19.354 1.00 0.00 H new