USER MOD reduce.3.24.130724 H: found=0, std=0, add=736, rem=0, adj=17 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 28 SER OG : rot 154:sc= 0.984 USER MOD Set 1.2: A 77 TYR OH : rot 31:sc= -0.639! USER MOD Set 2.1: A 12 TYR OH : rot -159:sc= -2.82 USER MOD Set 2.2: A 14 ASN : amide:sc= -0.2 K(o=-7.4,f=-12!) USER MOD Set 2.3: A 50 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 2.4: A 53 GLN :FLIP amide:sc= -4.34 F(o=-8.2!,f=-7.4) USER MOD Single : A 8 ASN : amide:sc= -0.607 X(o=-0.61,f=-0.58) USER MOD Single : A 9 HIS : no HD1:sc= -3.1 K(o=-3.1,f=-8.2!) USER MOD Single : A 10 THR OG1 : rot 120:sc= -0.264 USER MOD Single : A 15 ASN : amide:sc= 0.00375 X(o=0.0037,f=0) USER MOD Single : A 17 ASN : amide:sc= -4.79! C(o=-4.8!,f=-17!) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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= -0.494 X(o=-0.49,f=-0.007) 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) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 47 SER OG : rot 180:sc= -0.0315 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 SER OG : rot -99:sc= 1.16 USER MOD Single : A 63 SER OG : rot -35:sc= -0.969 USER MOD Single : A 65 THR OG1 : rot 180:sc= 0.0135 USER MOD Single : A 66 ASN : amide:sc= -0.0998 X(o=-0.1,f=-0.012) 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 X(o=0,f=0) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 MET CE :methyl -156:sc= 0 (180deg=-0.697) USER MOD Single : A 84 GLN : amide:sc=-0.00914 K(o=-0.0091,f=-1.6!) USER MOD Single : A 85 TYR OH : rot 180:sc= -2.16! USER MOD Single : A 87 LYS NZ :NH3+ -133:sc= -0.0753 (180deg=-0.612) USER MOD Single : A 88 THR OG1 : rot 180:sc= 0 USER MOD Single : A 90 SER OG : rot -90:sc= -2.2 USER MOD ----------------------------------------------------------------- ATOM 682 N PRO A 7 30.378 -3.710 -27.664 1.00 0.00 N ATOM 683 CA PRO A 7 29.733 -3.137 -26.469 1.00 0.00 C ATOM 684 C PRO A 7 30.387 -1.797 -26.094 1.00 0.00 C ATOM 685 O PRO A 7 31.535 -1.758 -25.655 1.00 0.00 O ATOM 686 CB PRO A 7 29.983 -4.186 -25.381 1.00 0.00 C ATOM 687 CG PRO A 7 31.213 -5.005 -25.838 1.00 0.00 C ATOM 688 CD PRO A 7 31.341 -4.801 -27.358 1.00 0.00 C ATOM 0 HA PRO A 7 28.673 -2.928 -26.617 1.00 0.00 H new ATOM 0 HB2 PRO A 7 30.169 -3.710 -24.418 1.00 0.00 H new ATOM 0 HB3 PRO A 7 29.113 -4.830 -25.255 1.00 0.00 H new ATOM 0 HG2 PRO A 7 32.114 -4.668 -25.325 1.00 0.00 H new ATOM 0 HG3 PRO A 7 31.085 -6.061 -25.599 1.00 0.00 H new ATOM 0 HD2 PRO A 7 32.357 -4.525 -27.638 1.00 0.00 H new ATOM 0 HD3 PRO A 7 31.096 -5.712 -27.904 1.00 0.00 H new ATOM 689 N ASN A 8 29.683 -0.697 -26.254 1.00 0.00 N ATOM 690 CA ASN A 8 30.280 0.626 -25.897 1.00 0.00 C ATOM 691 C ASN A 8 29.986 0.933 -24.421 1.00 0.00 C ATOM 692 O ASN A 8 29.276 0.184 -23.752 1.00 0.00 O ATOM 693 CB ASN A 8 29.675 1.726 -26.777 1.00 0.00 C ATOM 694 CG ASN A 8 30.739 2.788 -27.079 1.00 0.00 C ATOM 695 OD1 ASN A 8 30.747 3.852 -26.465 1.00 0.00 O ATOM 696 ND2 ASN A 8 31.646 2.563 -27.999 1.00 0.00 N ATOM 0 H ASN A 8 28.729 -0.662 -26.614 1.00 0.00 H new ATOM 0 HA ASN A 8 31.357 0.591 -26.059 1.00 0.00 H new ATOM 0 HB2 ASN A 8 29.301 1.297 -27.707 1.00 0.00 H new ATOM 0 HB3 ASN A 8 28.824 2.183 -26.272 1.00 0.00 H new ATOM 0 HD21 ASN A 8 32.353 3.270 -28.202 1.00 0.00 H new ATOM 0 HD22 ASN A 8 31.644 1.681 -28.512 1.00 0.00 H new ATOM 697 N HIS A 9 30.513 2.017 -23.894 1.00 0.00 N ATOM 698 CA HIS A 9 30.246 2.351 -22.456 1.00 0.00 C ATOM 699 C HIS A 9 28.769 2.736 -22.277 1.00 0.00 C ATOM 700 O HIS A 9 28.153 2.402 -21.266 1.00 0.00 O ATOM 701 CB HIS A 9 31.130 3.525 -22.010 1.00 0.00 C ATOM 702 CG HIS A 9 31.368 3.445 -20.527 1.00 0.00 C ATOM 703 ND1 HIS A 9 32.631 3.247 -19.991 1.00 0.00 N ATOM 704 CD2 HIS A 9 30.516 3.537 -19.454 1.00 0.00 C ATOM 705 CE1 HIS A 9 32.504 3.226 -18.651 1.00 0.00 C ATOM 706 NE2 HIS A 9 31.235 3.398 -18.271 1.00 0.00 N ATOM 0 H HIS A 9 31.110 2.678 -24.392 1.00 0.00 H new ATOM 0 HA HIS A 9 30.475 1.476 -21.847 1.00 0.00 H new ATOM 0 HB2 HIS A 9 32.081 3.500 -22.543 1.00 0.00 H new ATOM 0 HB3 HIS A 9 30.649 4.471 -22.261 1.00 0.00 H new ATOM 0 HD2 HIS A 9 29.449 3.694 -19.519 1.00 0.00 H new ATOM 0 HE1 HIS A 9 33.328 3.087 -17.967 1.00 0.00 H new ATOM 0 HE2 HIS A 9 30.871 3.422 -17.318 1.00 0.00 H new ATOM 707 N THR A 10 28.183 3.438 -23.226 1.00 0.00 N ATOM 708 CA THR A 10 26.754 3.837 -23.080 1.00 0.00 C ATOM 709 C THR A 10 25.875 3.005 -24.032 1.00 0.00 C ATOM 710 O THR A 10 26.347 2.502 -25.050 1.00 0.00 O ATOM 711 CB THR A 10 26.614 5.328 -23.418 1.00 0.00 C ATOM 712 OG1 THR A 10 27.393 6.091 -22.508 1.00 0.00 O ATOM 713 CG2 THR A 10 25.147 5.754 -23.317 1.00 0.00 C ATOM 0 H THR A 10 28.635 3.746 -24.087 1.00 0.00 H new ATOM 0 HA THR A 10 26.429 3.658 -22.055 1.00 0.00 H new ATOM 0 HB THR A 10 26.964 5.499 -24.436 1.00 0.00 H new ATOM 0 HG1 THR A 10 28.068 6.601 -23.003 1.00 0.00 H new ATOM 0 HG21 THR A 10 25.058 6.813 -23.559 1.00 0.00 H new ATOM 0 HG22 THR A 10 24.550 5.171 -24.018 1.00 0.00 H new ATOM 0 HG23 THR A 10 24.787 5.582 -22.303 1.00 0.00 H new ATOM 714 N ILE A 11 24.600 2.867 -23.731 1.00 0.00 N ATOM 715 CA ILE A 11 23.700 2.090 -24.627 1.00 0.00 C ATOM 716 C ILE A 11 22.611 3.028 -25.174 1.00 0.00 C ATOM 717 O ILE A 11 22.196 3.972 -24.502 1.00 0.00 O ATOM 718 CB ILE A 11 23.051 0.939 -23.854 1.00 0.00 C ATOM 719 CG1 ILE A 11 22.291 1.489 -22.644 1.00 0.00 C ATOM 720 CG2 ILE A 11 24.135 -0.029 -23.374 1.00 0.00 C ATOM 721 CD1 ILE A 11 21.102 0.580 -22.332 1.00 0.00 C ATOM 0 H ILE A 11 24.152 3.261 -22.904 1.00 0.00 H new ATOM 0 HA ILE A 11 24.279 1.673 -25.451 1.00 0.00 H new ATOM 0 HB ILE A 11 22.355 0.415 -24.509 1.00 0.00 H new ATOM 0 HG12 ILE A 11 22.954 1.548 -21.781 1.00 0.00 H new ATOM 0 HG13 ILE A 11 21.944 2.502 -22.849 1.00 0.00 H new ATOM 0 HG21 ILE A 11 23.673 -0.849 -22.824 1.00 0.00 H new ATOM 0 HG22 ILE A 11 24.674 -0.427 -24.234 1.00 0.00 H new ATOM 0 HG23 ILE A 11 24.831 0.499 -22.722 1.00 0.00 H new ATOM 0 HD11 ILE A 11 20.561 0.971 -21.471 1.00 0.00 H new ATOM 0 HD12 ILE A 11 20.435 0.544 -23.194 1.00 0.00 H new ATOM 0 HD13 ILE A 11 21.461 -0.425 -22.109 1.00 0.00 H new ATOM 722 N TYR A 12 22.148 2.797 -26.381 1.00 0.00 N ATOM 723 CA TYR A 12 21.104 3.687 -26.968 1.00 0.00 C ATOM 724 C TYR A 12 19.821 2.879 -27.235 1.00 0.00 C ATOM 725 O TYR A 12 19.877 1.697 -27.567 1.00 0.00 O ATOM 726 CB TYR A 12 21.643 4.269 -28.283 1.00 0.00 C ATOM 727 CG TYR A 12 20.579 5.093 -28.975 1.00 0.00 C ATOM 728 CD1 TYR A 12 20.202 6.336 -28.456 1.00 0.00 C ATOM 729 CD2 TYR A 12 19.977 4.611 -30.143 1.00 0.00 C ATOM 730 CE1 TYR A 12 19.221 7.097 -29.103 1.00 0.00 C ATOM 731 CE2 TYR A 12 18.996 5.371 -30.791 1.00 0.00 C ATOM 732 CZ TYR A 12 18.618 6.615 -30.271 1.00 0.00 C ATOM 733 OH TYR A 12 17.651 7.365 -30.910 1.00 0.00 O ATOM 0 H TYR A 12 22.450 2.030 -26.982 1.00 0.00 H new ATOM 0 HA TYR A 12 20.868 4.495 -26.275 1.00 0.00 H new ATOM 0 HB2 TYR A 12 22.517 4.888 -28.082 1.00 0.00 H new ATOM 0 HB3 TYR A 12 21.969 3.461 -28.938 1.00 0.00 H new ATOM 0 HD1 TYR A 12 20.668 6.709 -27.556 1.00 0.00 H new ATOM 0 HD2 TYR A 12 20.269 3.652 -30.545 1.00 0.00 H new ATOM 0 HE1 TYR A 12 18.929 8.056 -28.701 1.00 0.00 H new ATOM 0 HE2 TYR A 12 18.531 4.998 -31.692 1.00 0.00 H new ATOM 0 HH TYR A 12 17.105 6.781 -31.476 1.00 0.00 H new ATOM 734 N ILE A 13 18.666 3.496 -27.108 1.00 0.00 N ATOM 735 CA ILE A 13 17.392 2.766 -27.367 1.00 0.00 C ATOM 736 C ILE A 13 16.567 3.566 -28.385 1.00 0.00 C ATOM 737 O ILE A 13 16.641 4.793 -28.421 1.00 0.00 O ATOM 738 CB ILE A 13 16.597 2.626 -26.064 1.00 0.00 C ATOM 739 CG1 ILE A 13 17.502 2.053 -24.956 1.00 0.00 C ATOM 740 CG2 ILE A 13 15.409 1.688 -26.293 1.00 0.00 C ATOM 741 CD1 ILE A 13 17.440 2.956 -23.721 1.00 0.00 C ATOM 0 H ILE A 13 18.557 4.473 -26.836 1.00 0.00 H new ATOM 0 HA ILE A 13 17.610 1.772 -27.757 1.00 0.00 H new ATOM 0 HB ILE A 13 16.235 3.607 -25.756 1.00 0.00 H new ATOM 0 HG12 ILE A 13 17.182 1.044 -24.697 1.00 0.00 H new ATOM 0 HG13 ILE A 13 18.529 1.980 -25.314 1.00 0.00 H new ATOM 0 HG21 ILE A 13 14.842 1.587 -25.368 1.00 0.00 H new ATOM 0 HG22 ILE A 13 14.765 2.100 -27.070 1.00 0.00 H new ATOM 0 HG23 ILE A 13 15.773 0.709 -26.604 1.00 0.00 H new ATOM 0 HD11 ILE A 13 18.081 2.548 -22.939 1.00 0.00 H new ATOM 0 HD12 ILE A 13 17.781 3.957 -23.985 1.00 0.00 H new ATOM 0 HD13 ILE A 13 16.413 3.007 -23.359 1.00 0.00 H new ATOM 742 N ASN A 14 15.790 2.910 -29.220 1.00 0.00 N ATOM 743 CA ASN A 14 14.986 3.664 -30.226 1.00 0.00 C ATOM 744 C ASN A 14 13.588 3.039 -30.353 1.00 0.00 C ATOM 745 O ASN A 14 13.271 2.060 -29.682 1.00 0.00 O ATOM 746 CB ASN A 14 15.699 3.605 -31.578 1.00 0.00 C ATOM 747 CG ASN A 14 15.513 4.933 -32.322 1.00 0.00 C ATOM 748 OD1 ASN A 14 15.853 5.992 -31.799 1.00 0.00 O ATOM 749 ND2 ASN A 14 14.988 4.940 -33.523 1.00 0.00 N ATOM 0 H ASN A 14 15.682 1.896 -29.245 1.00 0.00 H new ATOM 0 HA ASN A 14 14.882 4.701 -29.907 1.00 0.00 H new ATOM 0 HB2 ASN A 14 16.760 3.405 -31.431 1.00 0.00 H new ATOM 0 HB3 ASN A 14 15.300 2.785 -32.174 1.00 0.00 H new ATOM 0 HD21 ASN A 14 14.863 5.822 -34.020 1.00 0.00 H new ATOM 0 HD22 ASN A 14 14.704 4.063 -33.961 1.00 0.00 H new ATOM 750 N ASN A 15 12.739 3.583 -31.204 1.00 0.00 N ATOM 751 CA ASN A 15 11.367 3.016 -31.365 1.00 0.00 C ATOM 752 C ASN A 15 10.582 3.185 -30.057 1.00 0.00 C ATOM 753 O ASN A 15 9.859 2.282 -29.637 1.00 0.00 O ATOM 754 CB ASN A 15 11.456 1.527 -31.721 1.00 0.00 C ATOM 755 CG ASN A 15 10.430 1.197 -32.814 1.00 0.00 C ATOM 756 OD1 ASN A 15 10.802 0.931 -33.954 1.00 0.00 O ATOM 757 ND2 ASN A 15 9.150 1.199 -32.532 1.00 0.00 N ATOM 0 H ASN A 15 12.943 4.393 -31.789 1.00 0.00 H new ATOM 0 HA ASN A 15 10.854 3.546 -32.167 1.00 0.00 H new ATOM 0 HB2 ASN A 15 12.461 1.285 -32.066 1.00 0.00 H new ATOM 0 HB3 ASN A 15 11.268 0.919 -30.836 1.00 0.00 H new ATOM 0 HD21 ASN A 15 8.468 0.980 -33.258 1.00 0.00 H new ATOM 0 HD22 ASN A 15 8.836 1.419 -31.587 1.00 0.00 H new ATOM 758 N LEU A 16 10.698 4.321 -29.401 1.00 0.00 N ATOM 759 CA LEU A 16 9.946 4.524 -28.129 1.00 0.00 C ATOM 760 C LEU A 16 8.679 5.346 -28.410 1.00 0.00 C ATOM 761 O LEU A 16 8.726 6.349 -29.121 1.00 0.00 O ATOM 762 CB LEU A 16 10.824 5.272 -27.124 1.00 0.00 C ATOM 763 CG LEU A 16 11.738 4.281 -26.402 1.00 0.00 C ATOM 764 CD1 LEU A 16 12.743 3.694 -27.395 1.00 0.00 C ATOM 765 CD2 LEU A 16 12.491 5.006 -25.284 1.00 0.00 C ATOM 0 H LEU A 16 11.278 5.107 -29.694 1.00 0.00 H new ATOM 0 HA LEU A 16 9.669 3.554 -27.715 1.00 0.00 H new ATOM 0 HB2 LEU A 16 11.422 6.025 -27.638 1.00 0.00 H new ATOM 0 HB3 LEU A 16 10.200 5.799 -26.402 1.00 0.00 H new ATOM 0 HG LEU A 16 11.138 3.477 -25.976 1.00 0.00 H new ATOM 0 HD11 LEU A 16 13.394 2.988 -26.879 1.00 0.00 H new ATOM 0 HD12 LEU A 16 12.208 3.179 -28.192 1.00 0.00 H new ATOM 0 HD13 LEU A 16 13.344 4.497 -27.822 1.00 0.00 H new ATOM 0 HD21 LEU A 16 13.143 4.301 -24.768 1.00 0.00 H new ATOM 0 HD22 LEU A 16 13.091 5.810 -25.711 1.00 0.00 H new ATOM 0 HD23 LEU A 16 11.776 5.424 -24.575 1.00 0.00 H new ATOM 766 N ASN A 17 7.547 4.954 -27.864 1.00 0.00 N ATOM 767 CA ASN A 17 6.292 5.735 -28.110 1.00 0.00 C ATOM 768 C ASN A 17 6.496 7.173 -27.624 1.00 0.00 C ATOM 769 O ASN A 17 7.312 7.431 -26.741 1.00 0.00 O ATOM 770 CB ASN A 17 5.112 5.108 -27.356 1.00 0.00 C ATOM 771 CG ASN A 17 5.459 5.005 -25.868 1.00 0.00 C ATOM 772 OD1 ASN A 17 5.395 5.998 -25.147 1.00 0.00 O ATOM 773 ND2 ASN A 17 5.828 3.855 -25.360 1.00 0.00 N ATOM 0 H ASN A 17 7.441 4.135 -27.265 1.00 0.00 H new ATOM 0 HA ASN A 17 6.071 5.725 -29.177 1.00 0.00 H new ATOM 0 HB2 ASN A 17 4.216 5.714 -27.491 1.00 0.00 H new ATOM 0 HB3 ASN A 17 4.892 4.119 -27.759 1.00 0.00 H new ATOM 0 HD21 ASN A 17 6.061 3.786 -24.369 1.00 0.00 H new ATOM 0 HD22 ASN A 17 5.882 3.028 -25.955 1.00 0.00 H new ATOM 774 N GLU A 18 5.782 8.118 -28.188 1.00 0.00 N ATOM 775 CA GLU A 18 5.954 9.535 -27.760 1.00 0.00 C ATOM 776 C GLU A 18 4.804 9.949 -26.827 1.00 0.00 C ATOM 777 O GLU A 18 4.094 10.918 -27.096 1.00 0.00 O ATOM 778 CB GLU A 18 5.963 10.428 -29.000 1.00 0.00 C ATOM 779 CG GLU A 18 7.385 10.519 -29.553 1.00 0.00 C ATOM 780 CD GLU A 18 7.342 11.054 -30.986 1.00 0.00 C ATOM 781 OE1 GLU A 18 6.936 12.191 -31.160 1.00 0.00 O ATOM 782 OE2 GLU A 18 7.714 10.318 -31.884 1.00 0.00 O ATOM 0 H GLU A 18 5.091 7.966 -28.923 1.00 0.00 H new ATOM 0 HA GLU A 18 6.895 9.642 -27.220 1.00 0.00 H new ATOM 0 HB2 GLU A 18 5.292 10.023 -29.758 1.00 0.00 H new ATOM 0 HB3 GLU A 18 5.595 11.423 -28.748 1.00 0.00 H new ATOM 0 HG2 GLU A 18 7.989 11.175 -28.926 1.00 0.00 H new ATOM 0 HG3 GLU A 18 7.857 9.537 -29.534 1.00 0.00 H new ATOM 783 N LYS A 19 4.602 9.246 -25.732 1.00 0.00 N ATOM 784 CA LYS A 19 3.500 9.624 -24.801 1.00 0.00 C ATOM 785 C LYS A 19 3.890 9.301 -23.343 1.00 0.00 C ATOM 786 O LYS A 19 3.032 8.963 -22.529 1.00 0.00 O ATOM 787 CB LYS A 19 2.232 8.854 -25.179 1.00 0.00 C ATOM 788 CG LYS A 19 2.479 7.347 -25.068 1.00 0.00 C ATOM 789 CD LYS A 19 1.509 6.602 -25.985 1.00 0.00 C ATOM 790 CE LYS A 19 1.231 5.211 -25.415 1.00 0.00 C ATOM 791 NZ LYS A 19 0.138 4.563 -26.194 1.00 0.00 N ATOM 0 H LYS A 19 5.151 8.434 -25.450 1.00 0.00 H new ATOM 0 HA LYS A 19 3.319 10.696 -24.883 1.00 0.00 H new ATOM 0 HB2 LYS A 19 1.411 9.145 -24.523 1.00 0.00 H new ATOM 0 HB3 LYS A 19 1.933 9.107 -26.196 1.00 0.00 H new ATOM 0 HG2 LYS A 19 3.508 7.115 -25.344 1.00 0.00 H new ATOM 0 HG3 LYS A 19 2.344 7.021 -24.037 1.00 0.00 H new ATOM 0 HD2 LYS A 19 0.578 7.161 -26.077 1.00 0.00 H new ATOM 0 HD3 LYS A 19 1.931 6.518 -26.986 1.00 0.00 H new ATOM 0 HE2 LYS A 19 2.134 4.602 -25.459 1.00 0.00 H new ATOM 0 HE3 LYS A 19 0.948 5.287 -24.365 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -0.051 3.617 -25.806 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -0.724 5.142 -26.130 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 0.425 4.478 -27.190 1.00 0.00 H new ATOM 792 N ILE A 20 5.157 9.397 -22.988 1.00 0.00 N ATOM 793 CA ILE A 20 5.563 9.092 -21.586 1.00 0.00 C ATOM 794 C ILE A 20 5.865 10.389 -20.833 1.00 0.00 C ATOM 795 O ILE A 20 6.247 11.393 -21.433 1.00 0.00 O ATOM 796 CB ILE A 20 6.832 8.222 -21.573 1.00 0.00 C ATOM 797 CG1 ILE A 20 6.753 7.126 -22.650 1.00 0.00 C ATOM 798 CG2 ILE A 20 6.984 7.572 -20.193 1.00 0.00 C ATOM 799 CD1 ILE A 20 5.487 6.296 -22.452 1.00 0.00 C ATOM 0 H ILE A 20 5.917 9.672 -23.610 1.00 0.00 H new ATOM 0 HA ILE A 20 4.743 8.559 -21.105 1.00 0.00 H new ATOM 0 HB ILE A 20 7.693 8.855 -21.786 1.00 0.00 H new ATOM 0 HG12 ILE A 20 6.751 7.578 -23.642 1.00 0.00 H new ATOM 0 HG13 ILE A 20 7.632 6.484 -22.594 1.00 0.00 H new ATOM 0 HG21 ILE A 20 7.882 6.954 -20.179 1.00 0.00 H new ATOM 0 HG22 ILE A 20 7.065 8.348 -19.432 1.00 0.00 H new ATOM 0 HG23 ILE A 20 6.113 6.951 -19.986 1.00 0.00 H new ATOM 0 HD11 ILE A 20 5.436 5.522 -23.217 1.00 0.00 H new ATOM 0 HD12 ILE A 20 5.507 5.831 -21.466 1.00 0.00 H new ATOM 0 HD13 ILE A 20 4.612 6.942 -22.531 1.00 0.00 H new ATOM 800 N LYS A 21 5.727 10.385 -19.527 1.00 0.00 N ATOM 801 CA LYS A 21 6.037 11.617 -18.749 1.00 0.00 C ATOM 802 C LYS A 21 7.556 11.690 -18.546 1.00 0.00 C ATOM 803 O LYS A 21 8.289 10.814 -19.003 1.00 0.00 O ATOM 804 CB LYS A 21 5.334 11.579 -17.385 1.00 0.00 C ATOM 805 CG LYS A 21 3.820 11.660 -17.589 1.00 0.00 C ATOM 806 CD LYS A 21 3.155 12.122 -16.290 1.00 0.00 C ATOM 807 CE LYS A 21 1.703 11.643 -16.261 1.00 0.00 C ATOM 808 NZ LYS A 21 0.902 12.538 -15.378 1.00 0.00 N ATOM 0 H LYS A 21 5.415 9.586 -18.974 1.00 0.00 H new ATOM 0 HA LYS A 21 5.684 12.493 -19.292 1.00 0.00 H new ATOM 0 HB2 LYS A 21 5.592 10.661 -16.856 1.00 0.00 H new ATOM 0 HB3 LYS A 21 5.673 12.409 -16.766 1.00 0.00 H new ATOM 0 HG2 LYS A 21 3.588 12.355 -18.396 1.00 0.00 H new ATOM 0 HG3 LYS A 21 3.429 10.686 -17.884 1.00 0.00 H new ATOM 0 HD2 LYS A 21 3.697 11.726 -15.431 1.00 0.00 H new ATOM 0 HD3 LYS A 21 3.192 13.209 -16.217 1.00 0.00 H new ATOM 0 HE2 LYS A 21 1.289 11.643 -17.269 1.00 0.00 H new ATOM 0 HE3 LYS A 21 1.655 10.617 -15.897 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -0.086 12.213 -15.358 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 1.293 12.516 -14.415 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 0.939 13.511 -15.744 1.00 0.00 H new ATOM 809 N LYS A 22 8.053 12.703 -17.874 1.00 0.00 N ATOM 810 CA LYS A 22 9.532 12.791 -17.663 1.00 0.00 C ATOM 811 C LYS A 22 9.917 12.003 -16.408 1.00 0.00 C ATOM 812 O LYS A 22 10.931 11.310 -16.389 1.00 0.00 O ATOM 813 CB LYS A 22 9.955 14.253 -17.499 1.00 0.00 C ATOM 814 CG LYS A 22 11.440 14.398 -17.840 1.00 0.00 C ATOM 815 CD LYS A 22 11.713 15.817 -18.348 1.00 0.00 C ATOM 816 CE LYS A 22 12.775 15.771 -19.449 1.00 0.00 C ATOM 817 NZ LYS A 22 13.079 17.157 -19.905 1.00 0.00 N ATOM 0 H LYS A 22 7.506 13.462 -17.468 1.00 0.00 H new ATOM 0 HA LYS A 22 10.040 12.370 -18.530 1.00 0.00 H new ATOM 0 HB2 LYS A 22 9.358 14.890 -18.151 1.00 0.00 H new ATOM 0 HB3 LYS A 22 9.772 14.583 -16.476 1.00 0.00 H new ATOM 0 HG2 LYS A 22 12.048 14.193 -16.959 1.00 0.00 H new ATOM 0 HG3 LYS A 22 11.722 13.668 -18.599 1.00 0.00 H new ATOM 0 HD2 LYS A 22 10.794 16.260 -18.733 1.00 0.00 H new ATOM 0 HD3 LYS A 22 12.052 16.449 -17.527 1.00 0.00 H new ATOM 0 HE2 LYS A 22 13.681 15.293 -19.076 1.00 0.00 H new ATOM 0 HE3 LYS A 22 12.420 15.171 -20.287 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 13.801 17.126 -20.653 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 12.214 17.598 -20.277 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 13.435 17.716 -19.104 1.00 0.00 H new ATOM 818 N ASP A 23 9.124 12.070 -15.365 1.00 0.00 N ATOM 819 CA ASP A 23 9.453 11.291 -14.137 1.00 0.00 C ATOM 820 C ASP A 23 9.083 9.811 -14.353 1.00 0.00 C ATOM 821 O ASP A 23 9.562 8.938 -13.630 1.00 0.00 O ATOM 822 CB ASP A 23 8.674 11.839 -12.933 1.00 0.00 C ATOM 823 CG ASP A 23 9.037 13.309 -12.716 1.00 0.00 C ATOM 824 OD1 ASP A 23 9.994 13.563 -12.005 1.00 0.00 O ATOM 825 OD2 ASP A 23 8.349 14.156 -13.265 1.00 0.00 O ATOM 0 H ASP A 23 8.271 12.627 -15.314 1.00 0.00 H new ATOM 0 HA ASP A 23 10.521 11.380 -13.939 1.00 0.00 H new ATOM 0 HB2 ASP A 23 7.602 11.740 -13.104 1.00 0.00 H new ATOM 0 HB3 ASP A 23 8.909 11.260 -12.040 1.00 0.00 H new ATOM 826 N GLU A 24 8.237 9.496 -15.325 1.00 0.00 N ATOM 827 CA GLU A 24 7.865 8.069 -15.542 1.00 0.00 C ATOM 828 C GLU A 24 8.908 7.378 -16.426 1.00 0.00 C ATOM 829 O GLU A 24 9.282 6.237 -16.167 1.00 0.00 O ATOM 830 CB GLU A 24 6.492 7.977 -16.217 1.00 0.00 C ATOM 831 CG GLU A 24 5.409 8.430 -15.236 1.00 0.00 C ATOM 832 CD GLU A 24 4.069 7.810 -15.633 1.00 0.00 C ATOM 833 OE1 GLU A 24 3.374 8.413 -16.435 1.00 0.00 O ATOM 834 OE2 GLU A 24 3.760 6.742 -15.131 1.00 0.00 O ATOM 0 H GLU A 24 7.801 10.164 -15.961 1.00 0.00 H new ATOM 0 HA GLU A 24 7.826 7.573 -14.572 1.00 0.00 H new ATOM 0 HB2 GLU A 24 6.472 8.601 -17.111 1.00 0.00 H new ATOM 0 HB3 GLU A 24 6.301 6.953 -16.539 1.00 0.00 H new ATOM 0 HG2 GLU A 24 5.674 8.131 -14.222 1.00 0.00 H new ATOM 0 HG3 GLU A 24 5.333 9.517 -15.238 1.00 0.00 H new ATOM 835 N LEU A 25 9.385 8.026 -17.469 1.00 0.00 N ATOM 836 CA LEU A 25 10.397 7.351 -18.341 1.00 0.00 C ATOM 837 C LEU A 25 11.746 7.257 -17.611 1.00 0.00 C ATOM 838 O LEU A 25 12.462 6.268 -17.752 1.00 0.00 O ATOM 839 CB LEU A 25 10.578 8.124 -19.653 1.00 0.00 C ATOM 840 CG LEU A 25 11.049 7.166 -20.751 1.00 0.00 C ATOM 841 CD1 LEU A 25 9.959 6.122 -21.037 1.00 0.00 C ATOM 842 CD2 LEU A 25 11.346 7.966 -22.023 1.00 0.00 C ATOM 0 H LEU A 25 9.122 8.972 -17.747 1.00 0.00 H new ATOM 0 HA LEU A 25 10.038 6.347 -18.568 1.00 0.00 H new ATOM 0 HB2 LEU A 25 9.638 8.593 -19.944 1.00 0.00 H new ATOM 0 HB3 LEU A 25 11.305 8.925 -19.518 1.00 0.00 H new ATOM 0 HG LEU A 25 11.952 6.652 -20.422 1.00 0.00 H new ATOM 0 HD11 LEU A 25 10.301 5.444 -21.819 1.00 0.00 H new ATOM 0 HD12 LEU A 25 9.752 5.555 -20.130 1.00 0.00 H new ATOM 0 HD13 LEU A 25 9.050 6.626 -21.365 1.00 0.00 H new ATOM 0 HD21 LEU A 25 11.682 7.289 -22.808 1.00 0.00 H new ATOM 0 HD22 LEU A 25 10.442 8.480 -22.349 1.00 0.00 H new ATOM 0 HD23 LEU A 25 12.126 8.699 -21.818 1.00 0.00 H new ATOM 843 N LYS A 26 12.113 8.250 -16.831 1.00 0.00 N ATOM 844 CA LYS A 26 13.419 8.174 -16.103 1.00 0.00 C ATOM 845 C LYS A 26 13.295 7.217 -14.904 1.00 0.00 C ATOM 846 O LYS A 26 14.259 6.545 -14.542 1.00 0.00 O ATOM 847 CB LYS A 26 13.832 9.565 -15.600 1.00 0.00 C ATOM 848 CG LYS A 26 13.926 10.530 -16.784 1.00 0.00 C ATOM 849 CD LYS A 26 13.925 11.971 -16.269 1.00 0.00 C ATOM 850 CE LYS A 26 15.339 12.358 -15.831 1.00 0.00 C ATOM 851 NZ LYS A 26 15.265 13.446 -14.815 1.00 0.00 N ATOM 0 H LYS A 26 11.571 9.099 -16.670 1.00 0.00 H new ATOM 0 HA LYS A 26 14.178 7.803 -16.791 1.00 0.00 H new ATOM 0 HB2 LYS A 26 13.105 9.932 -14.875 1.00 0.00 H new ATOM 0 HB3 LYS A 26 14.792 9.507 -15.087 1.00 0.00 H new ATOM 0 HG2 LYS A 26 14.835 10.337 -17.353 1.00 0.00 H new ATOM 0 HG3 LYS A 26 13.087 10.374 -17.462 1.00 0.00 H new ATOM 0 HD2 LYS A 26 13.577 12.647 -17.050 1.00 0.00 H new ATOM 0 HD3 LYS A 26 13.234 12.069 -15.432 1.00 0.00 H new ATOM 0 HE2 LYS A 26 15.852 11.491 -15.414 1.00 0.00 H new ATOM 0 HE3 LYS A 26 15.920 12.689 -16.692 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 16.226 13.709 -14.517 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 14.791 14.275 -15.228 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 14.726 13.114 -13.990 1.00 0.00 H new ATOM 852 N LYS A 27 12.138 7.131 -14.277 1.00 0.00 N ATOM 853 CA LYS A 27 11.998 6.201 -13.108 1.00 0.00 C ATOM 854 C LYS A 27 11.971 4.733 -13.579 1.00 0.00 C ATOM 855 O LYS A 27 12.322 3.834 -12.816 1.00 0.00 O ATOM 856 CB LYS A 27 10.704 6.505 -12.341 1.00 0.00 C ATOM 857 CG LYS A 27 10.965 7.611 -11.317 1.00 0.00 C ATOM 858 CD LYS A 27 11.330 6.985 -9.970 1.00 0.00 C ATOM 859 CE LYS A 27 11.354 8.070 -8.891 1.00 0.00 C ATOM 860 NZ LYS A 27 12.740 8.600 -8.751 1.00 0.00 N ATOM 0 H LYS A 27 11.299 7.657 -14.521 1.00 0.00 H new ATOM 0 HA LYS A 27 12.857 6.351 -12.454 1.00 0.00 H new ATOM 0 HB2 LYS A 27 9.922 6.814 -13.034 1.00 0.00 H new ATOM 0 HB3 LYS A 27 10.347 5.606 -11.838 1.00 0.00 H new ATOM 0 HG2 LYS A 27 11.774 8.256 -11.661 1.00 0.00 H new ATOM 0 HG3 LYS A 27 10.080 8.238 -11.210 1.00 0.00 H new ATOM 0 HD2 LYS A 27 10.606 6.213 -9.708 1.00 0.00 H new ATOM 0 HD3 LYS A 27 12.304 6.500 -10.035 1.00 0.00 H new ATOM 0 HE2 LYS A 27 10.670 8.876 -9.155 1.00 0.00 H new ATOM 0 HE3 LYS A 27 11.012 7.660 -7.941 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 12.757 9.337 -8.018 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 13.381 7.827 -8.480 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 13.050 9.005 -9.657 1.00 0.00 H new ATOM 861 N SER A 28 11.558 4.453 -14.802 1.00 0.00 N ATOM 862 CA SER A 28 11.520 3.028 -15.259 1.00 0.00 C ATOM 863 C SER A 28 12.902 2.595 -15.774 1.00 0.00 C ATOM 864 O SER A 28 13.321 1.460 -15.553 1.00 0.00 O ATOM 865 CB SER A 28 10.486 2.860 -16.377 1.00 0.00 C ATOM 866 OG SER A 28 9.251 3.434 -15.964 1.00 0.00 O ATOM 0 H SER A 28 11.251 5.142 -15.489 1.00 0.00 H new ATOM 0 HA SER A 28 11.241 2.402 -14.411 1.00 0.00 H new ATOM 0 HB2 SER A 28 10.838 3.342 -17.289 1.00 0.00 H new ATOM 0 HB3 SER A 28 10.350 1.803 -16.607 1.00 0.00 H new ATOM 0 HG SER A 28 8.738 3.709 -16.753 1.00 0.00 H new ATOM 867 N LEU A 29 13.622 3.461 -16.456 1.00 0.00 N ATOM 868 CA LEU A 29 14.973 3.055 -16.972 1.00 0.00 C ATOM 869 C LEU A 29 15.921 2.813 -15.791 1.00 0.00 C ATOM 870 O LEU A 29 16.621 1.802 -15.737 1.00 0.00 O ATOM 871 CB LEU A 29 15.557 4.156 -17.868 1.00 0.00 C ATOM 872 CG LEU A 29 14.999 4.014 -19.284 1.00 0.00 C ATOM 873 CD1 LEU A 29 15.462 5.196 -20.137 1.00 0.00 C ATOM 874 CD2 LEU A 29 15.508 2.711 -19.903 1.00 0.00 C ATOM 0 H LEU A 29 13.338 4.416 -16.675 1.00 0.00 H new ATOM 0 HA LEU A 29 14.864 2.141 -17.556 1.00 0.00 H new ATOM 0 HB2 LEU A 29 15.308 5.137 -17.465 1.00 0.00 H new ATOM 0 HB3 LEU A 29 16.645 4.086 -17.886 1.00 0.00 H new ATOM 0 HG LEU A 29 13.910 3.999 -19.245 1.00 0.00 H new ATOM 0 HD11 LEU A 29 15.064 5.094 -21.147 1.00 0.00 H new ATOM 0 HD12 LEU A 29 15.101 6.126 -19.697 1.00 0.00 H new ATOM 0 HD13 LEU A 29 16.551 5.212 -20.176 1.00 0.00 H new ATOM 0 HD21 LEU A 29 15.111 2.608 -20.913 1.00 0.00 H new ATOM 0 HD22 LEU A 29 16.597 2.728 -19.941 1.00 0.00 H new ATOM 0 HD23 LEU A 29 15.179 1.867 -19.296 1.00 0.00 H new ATOM 875 N HIS A 30 15.963 3.721 -14.844 1.00 0.00 N ATOM 876 CA HIS A 30 16.878 3.538 -13.669 1.00 0.00 C ATOM 877 C HIS A 30 16.558 2.233 -12.917 1.00 0.00 C ATOM 878 O HIS A 30 17.430 1.673 -12.256 1.00 0.00 O ATOM 879 CB HIS A 30 16.739 4.720 -12.700 1.00 0.00 C ATOM 880 CG HIS A 30 17.916 4.743 -11.765 1.00 0.00 C ATOM 881 ND1 HIS A 30 17.766 4.719 -10.387 1.00 0.00 N ATOM 882 CD2 HIS A 30 19.269 4.787 -11.994 1.00 0.00 C ATOM 883 CE1 HIS A 30 18.997 4.749 -9.845 1.00 0.00 C ATOM 884 NE2 HIS A 30 19.950 4.790 -10.780 1.00 0.00 N ATOM 0 H HIS A 30 15.407 4.576 -14.833 1.00 0.00 H new ATOM 0 HA HIS A 30 17.899 3.488 -14.047 1.00 0.00 H new ATOM 0 HB2 HIS A 30 16.685 5.656 -13.256 1.00 0.00 H new ATOM 0 HB3 HIS A 30 15.812 4.632 -12.133 1.00 0.00 H new ATOM 0 HD2 HIS A 30 19.734 4.815 -12.968 1.00 0.00 H new ATOM 0 HE1 HIS A 30 19.191 4.741 -8.783 1.00 0.00 H new ATOM 0 HE2 HIS A 30 20.959 4.818 -10.636 1.00 0.00 H new ATOM 885 N ALA A 31 15.340 1.734 -12.979 1.00 0.00 N ATOM 886 CA ALA A 31 15.019 0.471 -12.236 1.00 0.00 C ATOM 887 C ALA A 31 15.438 -0.754 -13.065 1.00 0.00 C ATOM 888 O ALA A 31 16.377 -1.460 -12.704 1.00 0.00 O ATOM 889 CB ALA A 31 13.515 0.398 -11.946 1.00 0.00 C ATOM 0 H ALA A 31 14.566 2.141 -13.504 1.00 0.00 H new ATOM 0 HA ALA A 31 15.569 0.474 -11.295 1.00 0.00 H new ATOM 0 HB1 ALA A 31 13.293 -0.523 -11.406 1.00 0.00 H new ATOM 0 HB2 ALA A 31 13.219 1.254 -11.340 1.00 0.00 H new ATOM 0 HB3 ALA A 31 12.962 0.410 -12.885 1.00 0.00 H new ATOM 890 N ILE A 32 14.750 -1.044 -14.152 1.00 0.00 N ATOM 891 CA ILE A 32 15.092 -2.237 -14.979 1.00 0.00 C ATOM 892 C ILE A 32 16.613 -2.357 -15.209 1.00 0.00 C ATOM 893 O ILE A 32 17.213 -3.383 -14.894 1.00 0.00 O ATOM 894 CB ILE A 32 14.377 -2.195 -16.347 1.00 0.00 C ATOM 895 CG1 ILE A 32 14.146 -0.760 -16.881 1.00 0.00 C ATOM 896 CG2 ILE A 32 13.031 -2.913 -16.242 1.00 0.00 C ATOM 897 CD1 ILE A 32 14.500 -0.700 -18.371 1.00 0.00 C ATOM 0 H ILE A 32 13.962 -0.496 -14.497 1.00 0.00 H new ATOM 0 HA ILE A 32 14.751 -3.108 -14.420 1.00 0.00 H new ATOM 0 HB ILE A 32 15.036 -2.695 -17.057 1.00 0.00 H new ATOM 0 HG12 ILE A 32 13.106 -0.469 -16.732 1.00 0.00 H new ATOM 0 HG13 ILE A 32 14.758 -0.051 -16.323 1.00 0.00 H new ATOM 0 HG21 ILE A 32 12.526 -2.883 -17.208 1.00 0.00 H new ATOM 0 HG22 ILE A 32 13.194 -3.950 -15.949 1.00 0.00 H new ATOM 0 HG23 ILE A 32 12.412 -2.418 -15.494 1.00 0.00 H new ATOM 0 HD11 ILE A 32 14.336 0.311 -18.743 1.00 0.00 H new ATOM 0 HD12 ILE A 32 15.547 -0.972 -18.508 1.00 0.00 H new ATOM 0 HD13 ILE A 32 13.869 -1.397 -18.923 1.00 0.00 H new ATOM 898 N PHE A 33 17.245 -1.353 -15.764 1.00 0.00 N ATOM 899 CA PHE A 33 18.723 -1.449 -16.020 1.00 0.00 C ATOM 900 C PHE A 33 19.499 -1.555 -14.695 1.00 0.00 C ATOM 901 O PHE A 33 20.519 -2.238 -14.625 1.00 0.00 O ATOM 902 CB PHE A 33 19.207 -0.216 -16.797 1.00 0.00 C ATOM 903 CG PHE A 33 18.865 -0.377 -18.261 1.00 0.00 C ATOM 904 CD1 PHE A 33 19.226 -1.547 -18.942 1.00 0.00 C ATOM 905 CD2 PHE A 33 18.185 0.643 -18.936 1.00 0.00 C ATOM 906 CE1 PHE A 33 18.908 -1.694 -20.297 1.00 0.00 C ATOM 907 CE2 PHE A 33 17.867 0.494 -20.292 1.00 0.00 C ATOM 908 CZ PHE A 33 18.228 -0.674 -20.972 1.00 0.00 C ATOM 0 H PHE A 33 16.810 -0.476 -16.050 1.00 0.00 H new ATOM 0 HA PHE A 33 18.907 -2.346 -16.611 1.00 0.00 H new ATOM 0 HB2 PHE A 33 18.738 0.684 -16.400 1.00 0.00 H new ATOM 0 HB3 PHE A 33 20.283 -0.095 -16.675 1.00 0.00 H new ATOM 0 HD1 PHE A 33 19.750 -2.335 -18.421 1.00 0.00 H new ATOM 0 HD2 PHE A 33 17.905 1.545 -18.412 1.00 0.00 H new ATOM 0 HE1 PHE A 33 19.188 -2.595 -20.822 1.00 0.00 H new ATOM 0 HE2 PHE A 33 17.343 1.281 -20.813 1.00 0.00 H new ATOM 0 HZ PHE A 33 17.982 -0.788 -22.017 1.00 0.00 H new ATOM 909 N SER A 34 19.057 -0.895 -13.644 1.00 0.00 N ATOM 910 CA SER A 34 19.808 -0.981 -12.344 1.00 0.00 C ATOM 911 C SER A 34 19.991 -2.453 -11.929 1.00 0.00 C ATOM 912 O SER A 34 21.017 -2.817 -11.358 1.00 0.00 O ATOM 913 CB SER A 34 19.046 -0.246 -11.235 1.00 0.00 C ATOM 914 OG SER A 34 19.471 -0.734 -9.970 1.00 0.00 O ATOM 0 H SER A 34 18.222 -0.309 -13.629 1.00 0.00 H new ATOM 0 HA SER A 34 20.783 -0.515 -12.487 1.00 0.00 H new ATOM 0 HB2 SER A 34 19.227 0.827 -11.303 1.00 0.00 H new ATOM 0 HB3 SER A 34 17.973 -0.397 -11.354 1.00 0.00 H new ATOM 0 HG SER A 34 18.987 -0.265 -9.259 1.00 0.00 H new ATOM 915 N ARG A 35 19.024 -3.311 -12.189 1.00 0.00 N ATOM 916 CA ARG A 35 19.173 -4.751 -11.785 1.00 0.00 C ATOM 917 C ARG A 35 20.518 -5.306 -12.288 1.00 0.00 C ATOM 918 O ARG A 35 21.252 -5.948 -11.538 1.00 0.00 O ATOM 919 CB ARG A 35 18.034 -5.591 -12.381 1.00 0.00 C ATOM 920 CG ARG A 35 16.723 -5.262 -11.660 1.00 0.00 C ATOM 921 CD ARG A 35 15.560 -5.295 -12.656 1.00 0.00 C ATOM 922 NE ARG A 35 14.410 -6.025 -12.052 1.00 0.00 N ATOM 923 CZ ARG A 35 13.938 -7.093 -12.633 1.00 0.00 C ATOM 924 NH1 ARG A 35 14.734 -8.085 -12.921 1.00 0.00 N ATOM 925 NH2 ARG A 35 12.668 -7.169 -12.927 1.00 0.00 N ATOM 0 H ARG A 35 18.149 -3.079 -12.658 1.00 0.00 H new ATOM 0 HA ARG A 35 19.137 -4.807 -10.697 1.00 0.00 H new ATOM 0 HB2 ARG A 35 17.936 -5.386 -13.447 1.00 0.00 H new ATOM 0 HB3 ARG A 35 18.260 -6.653 -12.280 1.00 0.00 H new ATOM 0 HG2 ARG A 35 16.548 -5.980 -10.859 1.00 0.00 H new ATOM 0 HG3 ARG A 35 16.789 -4.277 -11.197 1.00 0.00 H new ATOM 0 HD2 ARG A 35 15.263 -4.280 -12.918 1.00 0.00 H new ATOM 0 HD3 ARG A 35 15.871 -5.785 -13.579 1.00 0.00 H new ATOM 0 HE ARG A 35 13.992 -5.689 -11.184 1.00 0.00 H new ATOM 0 HH11 ARG A 35 15.726 -8.026 -12.692 1.00 0.00 H new ATOM 0 HH12 ARG A 35 14.364 -8.920 -13.375 1.00 0.00 H new ATOM 0 HH21 ARG A 35 12.045 -6.393 -12.702 1.00 0.00 H new ATOM 0 HH22 ARG A 35 12.299 -8.004 -13.381 1.00 0.00 H new ATOM 926 N PHE A 36 20.860 -5.076 -13.537 1.00 0.00 N ATOM 927 CA PHE A 36 22.163 -5.604 -14.058 1.00 0.00 C ATOM 928 C PHE A 36 23.322 -5.019 -13.237 1.00 0.00 C ATOM 929 O PHE A 36 24.111 -5.759 -12.651 1.00 0.00 O ATOM 930 CB PHE A 36 22.345 -5.222 -15.533 1.00 0.00 C ATOM 931 CG PHE A 36 21.399 -6.035 -16.383 1.00 0.00 C ATOM 932 CD1 PHE A 36 21.702 -7.367 -16.689 1.00 0.00 C ATOM 933 CD2 PHE A 36 20.216 -5.459 -16.863 1.00 0.00 C ATOM 934 CE1 PHE A 36 20.825 -8.122 -17.476 1.00 0.00 C ATOM 935 CE2 PHE A 36 19.338 -6.215 -17.649 1.00 0.00 C ATOM 936 CZ PHE A 36 19.643 -7.546 -17.956 1.00 0.00 C ATOM 0 H PHE A 36 20.300 -4.552 -14.210 1.00 0.00 H new ATOM 0 HA PHE A 36 22.158 -6.690 -13.970 1.00 0.00 H new ATOM 0 HB2 PHE A 36 22.152 -4.158 -15.671 1.00 0.00 H new ATOM 0 HB3 PHE A 36 23.375 -5.402 -15.842 1.00 0.00 H new ATOM 0 HD1 PHE A 36 22.613 -7.812 -16.318 1.00 0.00 H new ATOM 0 HD2 PHE A 36 19.981 -4.432 -16.627 1.00 0.00 H new ATOM 0 HE1 PHE A 36 21.060 -9.149 -17.713 1.00 0.00 H new ATOM 0 HE2 PHE A 36 18.425 -5.771 -18.018 1.00 0.00 H new ATOM 0 HZ PHE A 36 18.966 -8.129 -18.563 1.00 0.00 H new ATOM 937 N GLY A 37 23.452 -3.710 -13.181 1.00 0.00 N ATOM 938 CA GLY A 37 24.572 -3.108 -12.394 1.00 0.00 C ATOM 939 C GLY A 37 24.177 -1.708 -11.899 1.00 0.00 C ATOM 940 O GLY A 37 23.007 -1.439 -11.638 1.00 0.00 O ATOM 0 H GLY A 37 22.835 -3.042 -13.643 1.00 0.00 H new ATOM 0 HA2 GLY A 37 24.815 -3.747 -11.545 1.00 0.00 H new ATOM 0 HA3 GLY A 37 25.468 -3.044 -13.012 1.00 0.00 H new ATOM 941 N GLN A 38 25.126 -0.806 -11.762 1.00 0.00 N ATOM 942 CA GLN A 38 24.785 0.565 -11.282 1.00 0.00 C ATOM 943 C GLN A 38 24.651 1.512 -12.482 1.00 0.00 C ATOM 944 O GLN A 38 25.406 1.414 -13.449 1.00 0.00 O ATOM 945 CB GLN A 38 25.890 1.076 -10.353 1.00 0.00 C ATOM 946 CG GLN A 38 25.336 2.191 -9.464 1.00 0.00 C ATOM 947 CD GLN A 38 26.471 2.780 -8.616 1.00 0.00 C ATOM 948 OE1 GLN A 38 26.839 2.211 -7.590 1.00 0.00 O ATOM 949 NE2 GLN A 38 27.052 3.897 -8.984 1.00 0.00 N ATOM 0 H GLN A 38 26.114 -0.964 -11.962 1.00 0.00 H new ATOM 0 HA GLN A 38 23.841 0.530 -10.738 1.00 0.00 H new ATOM 0 HB2 GLN A 38 26.268 0.260 -9.737 1.00 0.00 H new ATOM 0 HB3 GLN A 38 26.730 1.448 -10.940 1.00 0.00 H new ATOM 0 HG2 GLN A 38 24.885 2.970 -10.078 1.00 0.00 H new ATOM 0 HG3 GLN A 38 24.550 1.799 -8.818 1.00 0.00 H new ATOM 0 HE21 GLN A 38 26.750 4.373 -9.834 1.00 0.00 H new ATOM 0 HE22 GLN A 38 27.806 4.290 -8.420 1.00 0.00 H new ATOM 950 N ILE A 39 23.710 2.432 -12.447 1.00 0.00 N ATOM 951 CA ILE A 39 23.546 3.374 -13.590 1.00 0.00 C ATOM 952 C ILE A 39 23.998 4.776 -13.161 1.00 0.00 C ATOM 953 O ILE A 39 23.440 5.359 -12.233 1.00 0.00 O ATOM 954 CB ILE A 39 22.077 3.422 -14.011 1.00 0.00 C ATOM 955 CG1 ILE A 39 21.580 2.004 -14.302 1.00 0.00 C ATOM 956 CG2 ILE A 39 21.935 4.277 -15.271 1.00 0.00 C ATOM 957 CD1 ILE A 39 20.052 1.977 -14.230 1.00 0.00 C ATOM 0 H ILE A 39 23.055 2.565 -11.677 1.00 0.00 H new ATOM 0 HA ILE A 39 24.152 3.033 -14.430 1.00 0.00 H new ATOM 0 HB ILE A 39 21.485 3.857 -13.206 1.00 0.00 H new ATOM 0 HG12 ILE A 39 21.914 1.685 -15.289 1.00 0.00 H new ATOM 0 HG13 ILE A 39 22.002 1.304 -13.581 1.00 0.00 H new ATOM 0 HG21 ILE A 39 20.888 4.311 -15.571 1.00 0.00 H new ATOM 0 HG22 ILE A 39 22.287 5.288 -15.066 1.00 0.00 H new ATOM 0 HG23 ILE A 39 22.529 3.842 -16.075 1.00 0.00 H new ATOM 0 HD11 ILE A 39 19.696 0.968 -14.437 1.00 0.00 H new ATOM 0 HD12 ILE A 39 19.729 2.278 -13.233 1.00 0.00 H new ATOM 0 HD13 ILE A 39 19.641 2.665 -14.968 1.00 0.00 H new ATOM 958 N LEU A 40 24.995 5.338 -13.813 1.00 0.00 N ATOM 959 CA LEU A 40 25.457 6.708 -13.418 1.00 0.00 C ATOM 960 C LEU A 40 24.308 7.706 -13.609 1.00 0.00 C ATOM 961 O LEU A 40 24.089 8.581 -12.771 1.00 0.00 O ATOM 962 CB LEU A 40 26.655 7.143 -14.275 1.00 0.00 C ATOM 963 CG LEU A 40 27.842 6.209 -14.020 1.00 0.00 C ATOM 964 CD1 LEU A 40 29.000 6.599 -14.940 1.00 0.00 C ATOM 965 CD2 LEU A 40 28.291 6.333 -12.560 1.00 0.00 C ATOM 0 H LEU A 40 25.501 4.912 -14.590 1.00 0.00 H new ATOM 0 HA LEU A 40 25.764 6.686 -12.372 1.00 0.00 H new ATOM 0 HB2 LEU A 40 26.385 7.123 -15.331 1.00 0.00 H new ATOM 0 HB3 LEU A 40 26.931 8.170 -14.036 1.00 0.00 H new ATOM 0 HG LEU A 40 27.543 5.180 -14.221 1.00 0.00 H new ATOM 0 HD11 LEU A 40 29.846 5.936 -14.761 1.00 0.00 H new ATOM 0 HD12 LEU A 40 28.684 6.511 -15.980 1.00 0.00 H new ATOM 0 HD13 LEU A 40 29.296 7.628 -14.736 1.00 0.00 H new ATOM 0 HD21 LEU A 40 29.136 5.667 -12.381 1.00 0.00 H new ATOM 0 HD22 LEU A 40 28.590 7.361 -12.357 1.00 0.00 H new ATOM 0 HD23 LEU A 40 27.467 6.058 -11.901 1.00 0.00 H new ATOM 966 N ASP A 41 23.565 7.601 -14.689 1.00 0.00 N ATOM 967 CA ASP A 41 22.433 8.558 -14.910 1.00 0.00 C ATOM 968 C ASP A 41 21.720 8.250 -16.240 1.00 0.00 C ATOM 969 O ASP A 41 22.284 7.607 -17.123 1.00 0.00 O ATOM 970 CB ASP A 41 22.976 9.990 -14.951 1.00 0.00 C ATOM 971 CG ASP A 41 22.004 10.927 -14.232 1.00 0.00 C ATOM 972 OD1 ASP A 41 21.813 10.750 -13.041 1.00 0.00 O ATOM 973 OD2 ASP A 41 21.467 11.806 -14.886 1.00 0.00 O ATOM 0 H ASP A 41 23.693 6.901 -15.420 1.00 0.00 H new ATOM 0 HA ASP A 41 21.721 8.452 -14.092 1.00 0.00 H new ATOM 0 HB2 ASP A 41 23.956 10.032 -14.476 1.00 0.00 H new ATOM 0 HB3 ASP A 41 23.109 10.310 -15.984 1.00 0.00 H new ATOM 974 N ILE A 42 20.493 8.698 -16.402 1.00 0.00 N ATOM 975 CA ILE A 42 19.762 8.430 -17.674 1.00 0.00 C ATOM 976 C ILE A 42 19.313 9.766 -18.284 1.00 0.00 C ATOM 977 O ILE A 42 19.190 10.767 -17.579 1.00 0.00 O ATOM 978 CB ILE A 42 18.538 7.558 -17.386 1.00 0.00 C ATOM 979 CG1 ILE A 42 18.983 6.272 -16.682 1.00 0.00 C ATOM 980 CG2 ILE A 42 17.841 7.201 -18.700 1.00 0.00 C ATOM 981 CD1 ILE A 42 17.812 5.694 -15.883 1.00 0.00 C ATOM 0 H ILE A 42 19.973 9.235 -15.708 1.00 0.00 H new ATOM 0 HA ILE A 42 20.416 7.909 -18.373 1.00 0.00 H new ATOM 0 HB ILE A 42 17.847 8.106 -16.746 1.00 0.00 H new ATOM 0 HG12 ILE A 42 19.330 5.545 -17.416 1.00 0.00 H new ATOM 0 HG13 ILE A 42 19.822 6.480 -16.018 1.00 0.00 H new ATOM 0 HG21 ILE A 42 16.970 6.580 -18.493 1.00 0.00 H new ATOM 0 HG22 ILE A 42 17.524 8.114 -19.204 1.00 0.00 H new ATOM 0 HG23 ILE A 42 18.532 6.654 -19.341 1.00 0.00 H new ATOM 0 HD11 ILE A 42 18.129 4.779 -15.383 1.00 0.00 H new ATOM 0 HD12 ILE A 42 17.486 6.420 -15.139 1.00 0.00 H new ATOM 0 HD13 ILE A 42 16.986 5.470 -16.558 1.00 0.00 H new ATOM 982 N LEU A 43 19.068 9.815 -19.578 1.00 0.00 N ATOM 983 CA LEU A 43 18.635 11.098 -20.201 1.00 0.00 C ATOM 984 C LEU A 43 17.528 10.832 -21.231 1.00 0.00 C ATOM 985 O LEU A 43 17.569 9.840 -21.961 1.00 0.00 O ATOM 986 CB LEU A 43 19.827 11.755 -20.902 1.00 0.00 C ATOM 987 CG LEU A 43 20.996 11.887 -19.921 1.00 0.00 C ATOM 988 CD1 LEU A 43 21.957 10.712 -20.110 1.00 0.00 C ATOM 989 CD2 LEU A 43 21.739 13.198 -20.187 1.00 0.00 C ATOM 0 H LEU A 43 19.150 9.025 -20.218 1.00 0.00 H new ATOM 0 HA LEU A 43 18.254 11.760 -19.423 1.00 0.00 H new ATOM 0 HB2 LEU A 43 20.128 11.159 -21.763 1.00 0.00 H new ATOM 0 HB3 LEU A 43 19.543 12.738 -21.278 1.00 0.00 H new ATOM 0 HG LEU A 43 20.614 11.884 -18.900 1.00 0.00 H new ATOM 0 HD11 LEU A 43 22.789 10.806 -19.412 1.00 0.00 H new ATOM 0 HD12 LEU A 43 21.430 9.777 -19.922 1.00 0.00 H new ATOM 0 HD13 LEU A 43 22.338 10.715 -21.131 1.00 0.00 H new ATOM 0 HD21 LEU A 43 22.571 13.293 -19.489 1.00 0.00 H new ATOM 0 HD22 LEU A 43 22.120 13.200 -21.208 1.00 0.00 H new ATOM 0 HD23 LEU A 43 21.056 14.037 -20.053 1.00 0.00 H new ATOM 990 N VAL A 44 16.543 11.700 -21.316 1.00 0.00 N ATOM 991 CA VAL A 44 15.448 11.497 -22.307 1.00 0.00 C ATOM 992 C VAL A 44 15.074 12.854 -22.923 1.00 0.00 C ATOM 993 O VAL A 44 14.704 13.786 -22.211 1.00 0.00 O ATOM 994 CB VAL A 44 14.218 10.889 -21.620 1.00 0.00 C ATOM 995 CG1 VAL A 44 14.501 9.425 -21.275 1.00 0.00 C ATOM 996 CG2 VAL A 44 13.896 11.666 -20.334 1.00 0.00 C ATOM 0 H VAL A 44 16.456 12.537 -20.740 1.00 0.00 H new ATOM 0 HA VAL A 44 15.788 10.815 -23.086 1.00 0.00 H new ATOM 0 HB VAL A 44 13.364 10.949 -22.295 1.00 0.00 H new ATOM 0 HG11 VAL A 44 13.628 8.991 -20.787 1.00 0.00 H new ATOM 0 HG12 VAL A 44 14.719 8.871 -22.188 1.00 0.00 H new ATOM 0 HG13 VAL A 44 15.358 9.368 -20.604 1.00 0.00 H new ATOM 0 HG21 VAL A 44 13.022 11.227 -19.853 1.00 0.00 H new ATOM 0 HG22 VAL A 44 14.747 11.615 -19.655 1.00 0.00 H new ATOM 0 HG23 VAL A 44 13.690 12.708 -20.580 1.00 0.00 H new ATOM 997 N SER A 45 15.168 12.993 -24.227 1.00 0.00 N ATOM 998 CA SER A 45 14.824 14.299 -24.859 1.00 0.00 C ATOM 999 C SER A 45 13.452 14.200 -25.541 1.00 0.00 C ATOM 1000 O SER A 45 12.829 13.139 -25.550 1.00 0.00 O ATOM 1001 CB SER A 45 15.885 14.659 -25.898 1.00 0.00 C ATOM 1002 OG SER A 45 16.948 15.356 -25.260 1.00 0.00 O ATOM 0 H SER A 45 15.466 12.261 -24.872 1.00 0.00 H new ATOM 0 HA SER A 45 14.790 15.072 -24.091 1.00 0.00 H new ATOM 0 HB2 SER A 45 16.263 13.756 -26.377 1.00 0.00 H new ATOM 0 HB3 SER A 45 15.448 15.277 -26.682 1.00 0.00 H new ATOM 0 HG SER A 45 17.632 15.587 -25.923 1.00 0.00 H new ATOM 1003 N ARG A 46 12.965 15.279 -26.115 1.00 0.00 N ATOM 1004 CA ARG A 46 11.636 15.227 -26.791 1.00 0.00 C ATOM 1005 C ARG A 46 11.625 16.171 -28.006 1.00 0.00 C ATOM 1006 O ARG A 46 10.603 16.784 -28.312 1.00 0.00 O ATOM 1007 CB ARG A 46 10.547 15.655 -25.805 1.00 0.00 C ATOM 1008 CG ARG A 46 9.172 15.336 -26.395 1.00 0.00 C ATOM 1009 CD ARG A 46 8.160 15.158 -25.262 1.00 0.00 C ATOM 1010 NE ARG A 46 7.859 16.482 -24.649 1.00 0.00 N ATOM 1011 CZ ARG A 46 7.279 17.412 -25.359 1.00 0.00 C ATOM 1012 NH1 ARG A 46 6.045 17.257 -25.752 1.00 0.00 N ATOM 1013 NH2 ARG A 46 7.933 18.496 -25.674 1.00 0.00 N ATOM 0 H ARG A 46 13.431 16.186 -26.142 1.00 0.00 H new ATOM 0 HA ARG A 46 11.447 14.208 -27.129 1.00 0.00 H new ATOM 0 HB2 ARG A 46 10.677 15.136 -24.855 1.00 0.00 H new ATOM 0 HB3 ARG A 46 10.627 16.722 -25.598 1.00 0.00 H new ATOM 0 HG2 ARG A 46 8.854 16.140 -27.058 1.00 0.00 H new ATOM 0 HG3 ARG A 46 9.224 14.428 -26.996 1.00 0.00 H new ATOM 0 HD2 ARG A 46 7.245 14.707 -25.646 1.00 0.00 H new ATOM 0 HD3 ARG A 46 8.558 14.479 -24.508 1.00 0.00 H new ATOM 0 HE ARG A 46 8.106 16.662 -23.676 1.00 0.00 H new ATOM 0 HH11 ARG A 46 5.534 16.410 -25.505 1.00 0.00 H new ATOM 0 HH12 ARG A 46 5.591 17.983 -26.307 1.00 0.00 H new ATOM 0 HH21 ARG A 46 8.898 18.617 -25.366 1.00 0.00 H new ATOM 0 HH22 ARG A 46 7.480 19.222 -26.229 1.00 0.00 H new ATOM 1014 N SER A 47 12.729 16.300 -28.715 1.00 0.00 N ATOM 1015 CA SER A 47 12.744 17.200 -29.906 1.00 0.00 C ATOM 1016 C SER A 47 12.379 16.376 -31.152 1.00 0.00 C ATOM 1017 O SER A 47 11.945 15.231 -31.037 1.00 0.00 O ATOM 1018 CB SER A 47 14.138 17.817 -30.076 1.00 0.00 C ATOM 1019 OG SER A 47 14.944 16.949 -30.868 1.00 0.00 O ATOM 0 H SER A 47 13.609 15.823 -28.518 1.00 0.00 H new ATOM 0 HA SER A 47 12.021 18.005 -29.771 1.00 0.00 H new ATOM 0 HB2 SER A 47 14.060 18.795 -30.552 1.00 0.00 H new ATOM 0 HB3 SER A 47 14.601 17.973 -29.101 1.00 0.00 H new ATOM 0 HG SER A 47 15.835 17.341 -30.980 1.00 0.00 H new ATOM 1020 N LEU A 48 12.533 16.922 -32.341 1.00 0.00 N ATOM 1021 CA LEU A 48 12.172 16.133 -33.567 1.00 0.00 C ATOM 1022 C LEU A 48 13.100 14.916 -33.693 1.00 0.00 C ATOM 1023 O LEU A 48 12.659 13.827 -34.060 1.00 0.00 O ATOM 1024 CB LEU A 48 12.311 16.998 -34.826 1.00 0.00 C ATOM 1025 CG LEU A 48 11.565 16.342 -35.991 1.00 0.00 C ATOM 1026 CD1 LEU A 48 10.891 17.425 -36.839 1.00 0.00 C ATOM 1027 CD2 LEU A 48 12.556 15.558 -36.857 1.00 0.00 C ATOM 0 H LEU A 48 12.887 17.863 -32.513 1.00 0.00 H new ATOM 0 HA LEU A 48 11.137 15.805 -33.471 1.00 0.00 H new ATOM 0 HB2 LEU A 48 11.910 17.994 -34.640 1.00 0.00 H new ATOM 0 HB3 LEU A 48 13.364 17.121 -35.080 1.00 0.00 H new ATOM 0 HG LEU A 48 10.808 15.662 -35.601 1.00 0.00 H new ATOM 0 HD11 LEU A 48 10.360 16.959 -37.669 1.00 0.00 H new ATOM 0 HD12 LEU A 48 10.185 17.982 -36.223 1.00 0.00 H new ATOM 0 HD13 LEU A 48 11.648 18.105 -37.229 1.00 0.00 H new ATOM 0 HD21 LEU A 48 12.024 15.091 -37.686 1.00 0.00 H new ATOM 0 HD22 LEU A 48 13.314 16.237 -37.248 1.00 0.00 H new ATOM 0 HD23 LEU A 48 13.036 14.787 -36.254 1.00 0.00 H new ATOM 1028 N LYS A 49 14.375 15.068 -33.406 1.00 0.00 N ATOM 1029 CA LYS A 49 15.308 13.903 -33.526 1.00 0.00 C ATOM 1030 C LYS A 49 15.166 12.990 -32.299 1.00 0.00 C ATOM 1031 O LYS A 49 15.214 11.767 -32.420 1.00 0.00 O ATOM 1032 CB LYS A 49 16.757 14.393 -33.631 1.00 0.00 C ATOM 1033 CG LYS A 49 16.955 15.113 -34.966 1.00 0.00 C ATOM 1034 CD LYS A 49 18.415 15.551 -35.100 1.00 0.00 C ATOM 1035 CE LYS A 49 18.569 16.438 -36.336 1.00 0.00 C ATOM 1036 NZ LYS A 49 20.016 16.610 -36.646 1.00 0.00 N ATOM 0 H LYS A 49 14.804 15.940 -33.097 1.00 0.00 H new ATOM 0 HA LYS A 49 15.053 13.344 -34.426 1.00 0.00 H new ATOM 0 HB2 LYS A 49 16.985 15.066 -32.805 1.00 0.00 H new ATOM 0 HB3 LYS A 49 17.444 13.550 -33.555 1.00 0.00 H new ATOM 0 HG2 LYS A 49 16.685 14.453 -35.790 1.00 0.00 H new ATOM 0 HG3 LYS A 49 16.298 15.980 -35.024 1.00 0.00 H new ATOM 0 HD2 LYS A 49 18.726 16.095 -34.208 1.00 0.00 H new ATOM 0 HD3 LYS A 49 19.062 14.678 -35.183 1.00 0.00 H new ATOM 0 HE2 LYS A 49 18.055 15.989 -37.186 1.00 0.00 H new ATOM 0 HE3 LYS A 49 18.106 17.409 -36.160 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 20.122 17.213 -37.487 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 20.494 17.056 -35.837 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 20.444 15.680 -36.831 1.00 0.00 H new ATOM 1037 N MET A 50 14.995 13.547 -31.117 1.00 0.00 N ATOM 1038 CA MET A 50 14.857 12.684 -29.907 1.00 0.00 C ATOM 1039 C MET A 50 13.368 12.480 -29.583 1.00 0.00 C ATOM 1040 O MET A 50 12.930 12.717 -28.458 1.00 0.00 O ATOM 1041 CB MET A 50 15.556 13.350 -28.716 1.00 0.00 C ATOM 1042 CG MET A 50 17.030 13.576 -29.052 1.00 0.00 C ATOM 1043 SD MET A 50 17.959 12.053 -28.744 1.00 0.00 S ATOM 1044 CE MET A 50 19.057 12.165 -30.178 1.00 0.00 C ATOM 0 H MET A 50 14.946 14.551 -30.945 1.00 0.00 H new ATOM 0 HA MET A 50 15.319 11.716 -30.102 1.00 0.00 H new ATOM 0 HB2 MET A 50 15.075 14.300 -28.483 1.00 0.00 H new ATOM 0 HB3 MET A 50 15.466 12.722 -27.830 1.00 0.00 H new ATOM 0 HG2 MET A 50 17.135 13.874 -30.095 1.00 0.00 H new ATOM 0 HG3 MET A 50 17.432 14.389 -28.447 1.00 0.00 H new ATOM 0 HE1 MET A 50 19.731 11.308 -30.188 1.00 0.00 H new ATOM 0 HE2 MET A 50 18.463 12.170 -31.092 1.00 0.00 H new ATOM 0 HE3 MET A 50 19.640 13.084 -30.119 1.00 0.00 H new ATOM 1045 N ARG A 51 12.578 12.038 -30.539 1.00 0.00 N ATOM 1046 CA ARG A 51 11.127 11.820 -30.261 1.00 0.00 C ATOM 1047 C ARG A 51 10.842 10.308 -30.190 1.00 0.00 C ATOM 1048 O ARG A 51 9.811 9.838 -30.668 1.00 0.00 O ATOM 1049 CB ARG A 51 10.292 12.458 -31.383 1.00 0.00 C ATOM 1050 CG ARG A 51 9.477 13.628 -30.824 1.00 0.00 C ATOM 1051 CD ARG A 51 8.892 14.442 -31.979 1.00 0.00 C ATOM 1052 NE ARG A 51 8.591 15.825 -31.510 1.00 0.00 N ATOM 1053 CZ ARG A 51 7.556 16.044 -30.746 1.00 0.00 C ATOM 1054 NH1 ARG A 51 6.369 15.664 -31.131 1.00 0.00 N ATOM 1055 NH2 ARG A 51 7.710 16.643 -29.597 1.00 0.00 N ATOM 0 H ARG A 51 12.877 11.822 -31.490 1.00 0.00 H new ATOM 0 HA ARG A 51 10.861 12.280 -29.309 1.00 0.00 H new ATOM 0 HB2 ARG A 51 10.946 12.808 -32.181 1.00 0.00 H new ATOM 0 HB3 ARG A 51 9.625 11.715 -31.820 1.00 0.00 H new ATOM 0 HG2 ARG A 51 8.676 13.255 -30.186 1.00 0.00 H new ATOM 0 HG3 ARG A 51 10.110 14.262 -30.203 1.00 0.00 H new ATOM 0 HD2 ARG A 51 9.597 14.474 -32.810 1.00 0.00 H new ATOM 0 HD3 ARG A 51 7.984 13.967 -32.350 1.00 0.00 H new ATOM 0 HE ARG A 51 9.194 16.600 -31.786 1.00 0.00 H new ATOM 0 HH11 ARG A 51 6.250 15.196 -32.029 1.00 0.00 H new ATOM 0 HH12 ARG A 51 5.560 15.835 -30.534 1.00 0.00 H new ATOM 0 HH21 ARG A 51 8.639 16.940 -29.297 1.00 0.00 H new ATOM 0 HH22 ARG A 51 6.902 16.815 -28.999 1.00 0.00 H new ATOM 1056 N GLY A 52 11.729 9.534 -29.599 1.00 0.00 N ATOM 1057 CA GLY A 52 11.486 8.058 -29.505 1.00 0.00 C ATOM 1058 C GLY A 52 12.806 7.321 -29.210 1.00 0.00 C ATOM 1059 O GLY A 52 13.200 6.418 -29.946 1.00 0.00 O ATOM 0 H GLY A 52 12.601 9.859 -29.182 1.00 0.00 H new ATOM 0 HA2 GLY A 52 10.761 7.851 -28.718 1.00 0.00 H new ATOM 0 HA3 GLY A 52 11.057 7.692 -30.438 1.00 0.00 H new ATOM 1060 N GLN A 53 13.497 7.683 -28.149 1.00 0.00 N ATOM 1061 CA GLN A 53 14.790 6.993 -27.827 1.00 0.00 C ATOM 1062 C GLN A 53 15.279 7.399 -26.421 1.00 0.00 C ATOM 1063 O GLN A 53 14.734 8.314 -25.803 1.00 0.00 O ATOM 1064 CB GLN A 53 15.846 7.390 -28.863 1.00 0.00 C ATOM 1065 CG GLN A 53 15.924 8.918 -28.974 1.00 0.00 C ATOM 1066 CD GLN A 53 15.847 9.334 -30.450 1.00 0.00 C ATOM 1067 OE1 GLN A 53 16.915 9.784 -31.060 1.00 0.00 O flip ATOM 1068 NE2 GLN A 53 14.786 9.245 -31.065 1.00 0.00 N flip ATOM 0 H GLN A 53 13.223 8.420 -27.499 1.00 0.00 H new ATOM 0 HA GLN A 53 14.631 5.915 -27.849 1.00 0.00 H new ATOM 0 HB2 GLN A 53 16.818 6.988 -28.576 1.00 0.00 H new ATOM 0 HB3 GLN A 53 15.596 6.959 -29.833 1.00 0.00 H new ATOM 0 HG2 GLN A 53 15.108 9.375 -28.414 1.00 0.00 H new ATOM 0 HG3 GLN A 53 16.854 9.277 -28.533 1.00 0.00 H new ATOM 0 HE21 GLN A 53 13.951 8.895 -30.594 1.00 0.00 H new ATOM 0 HE22 GLN A 53 14.740 9.521 -32.046 1.00 0.00 H new ATOM 1069 N ALA A 54 16.294 6.744 -25.898 1.00 0.00 N ATOM 1070 CA ALA A 54 16.794 7.113 -24.539 1.00 0.00 C ATOM 1071 C ALA A 54 18.303 6.835 -24.443 1.00 0.00 C ATOM 1072 O ALA A 54 18.887 6.222 -25.333 1.00 0.00 O ATOM 1073 CB ALA A 54 16.056 6.284 -23.485 1.00 0.00 C ATOM 0 H ALA A 54 16.791 5.978 -26.352 1.00 0.00 H new ATOM 0 HA ALA A 54 16.614 8.174 -24.366 1.00 0.00 H new ATOM 0 HB1 ALA A 54 16.419 6.551 -22.492 1.00 0.00 H new ATOM 0 HB2 ALA A 54 14.987 6.486 -23.547 1.00 0.00 H new ATOM 0 HB3 ALA A 54 16.236 5.224 -23.664 1.00 0.00 H new ATOM 1074 N PHE A 55 18.950 7.270 -23.382 1.00 0.00 N ATOM 1075 CA PHE A 55 20.416 7.019 -23.250 1.00 0.00 C ATOM 1076 C PHE A 55 20.726 6.534 -21.827 1.00 0.00 C ATOM 1077 O PHE A 55 20.589 7.287 -20.865 1.00 0.00 O ATOM 1078 CB PHE A 55 21.182 8.316 -23.522 1.00 0.00 C ATOM 1079 CG PHE A 55 20.995 8.722 -24.963 1.00 0.00 C ATOM 1080 CD1 PHE A 55 19.789 9.301 -25.376 1.00 0.00 C ATOM 1081 CD2 PHE A 55 22.028 8.521 -25.887 1.00 0.00 C ATOM 1082 CE1 PHE A 55 19.616 9.679 -26.713 1.00 0.00 C ATOM 1083 CE2 PHE A 55 21.855 8.899 -27.224 1.00 0.00 C ATOM 1084 CZ PHE A 55 20.649 9.478 -27.637 1.00 0.00 C ATOM 0 H PHE A 55 18.525 7.784 -22.610 1.00 0.00 H new ATOM 0 HA PHE A 55 20.720 6.258 -23.969 1.00 0.00 H new ATOM 0 HB2 PHE A 55 20.825 9.106 -22.862 1.00 0.00 H new ATOM 0 HB3 PHE A 55 22.242 8.176 -23.308 1.00 0.00 H new ATOM 0 HD1 PHE A 55 18.992 9.456 -24.663 1.00 0.00 H new ATOM 0 HD2 PHE A 55 22.958 8.074 -25.568 1.00 0.00 H new ATOM 0 HE1 PHE A 55 18.686 10.126 -27.032 1.00 0.00 H new ATOM 0 HE2 PHE A 55 22.652 8.744 -27.937 1.00 0.00 H new ATOM 0 HZ PHE A 55 20.515 9.770 -28.668 1.00 0.00 H new ATOM 1085 N VAL A 56 21.142 5.297 -21.663 1.00 0.00 N ATOM 1086 CA VAL A 56 21.453 4.797 -20.290 1.00 0.00 C ATOM 1087 C VAL A 56 22.972 4.664 -20.126 1.00 0.00 C ATOM 1088 O VAL A 56 23.593 3.789 -20.724 1.00 0.00 O ATOM 1089 CB VAL A 56 20.797 3.431 -20.077 1.00 0.00 C ATOM 1090 CG1 VAL A 56 21.025 2.976 -18.633 1.00 0.00 C ATOM 1091 CG2 VAL A 56 19.293 3.533 -20.350 1.00 0.00 C ATOM 0 H VAL A 56 21.277 4.621 -22.415 1.00 0.00 H new ATOM 0 HA VAL A 56 21.066 5.502 -19.554 1.00 0.00 H new ATOM 0 HB VAL A 56 21.239 2.707 -20.761 1.00 0.00 H new ATOM 0 HG11 VAL A 56 20.558 2.003 -18.480 1.00 0.00 H new ATOM 0 HG12 VAL A 56 22.095 2.899 -18.440 1.00 0.00 H new ATOM 0 HG13 VAL A 56 20.584 3.701 -17.949 1.00 0.00 H new ATOM 0 HG21 VAL A 56 18.829 2.559 -20.198 1.00 0.00 H new ATOM 0 HG22 VAL A 56 18.848 4.258 -19.668 1.00 0.00 H new ATOM 0 HG23 VAL A 56 19.131 3.855 -21.379 1.00 0.00 H new ATOM 1092 N ILE A 57 23.590 5.506 -19.325 1.00 0.00 N ATOM 1093 CA ILE A 57 25.068 5.402 -19.141 1.00 0.00 C ATOM 1094 C ILE A 57 25.363 4.493 -17.942 1.00 0.00 C ATOM 1095 O ILE A 57 24.868 4.724 -16.841 1.00 0.00 O ATOM 1096 CB ILE A 57 25.660 6.793 -18.888 1.00 0.00 C ATOM 1097 CG1 ILE A 57 25.278 7.727 -20.039 1.00 0.00 C ATOM 1098 CG2 ILE A 57 27.183 6.691 -18.802 1.00 0.00 C ATOM 1099 CD1 ILE A 57 25.150 9.157 -19.515 1.00 0.00 C ATOM 0 H ILE A 57 23.136 6.252 -18.798 1.00 0.00 H new ATOM 0 HA ILE A 57 25.517 4.982 -20.041 1.00 0.00 H new ATOM 0 HB ILE A 57 25.268 7.189 -17.951 1.00 0.00 H new ATOM 0 HG12 ILE A 57 26.033 7.682 -20.824 1.00 0.00 H new ATOM 0 HG13 ILE A 57 24.336 7.406 -20.484 1.00 0.00 H new ATOM 0 HG21 ILE A 57 27.604 7.680 -18.622 1.00 0.00 H new ATOM 0 HG22 ILE A 57 27.457 6.025 -17.984 1.00 0.00 H new ATOM 0 HG23 ILE A 57 27.575 6.295 -19.739 1.00 0.00 H new ATOM 0 HD11 ILE A 57 24.878 9.822 -20.335 1.00 0.00 H new ATOM 0 HD12 ILE A 57 24.379 9.195 -18.746 1.00 0.00 H new ATOM 0 HD13 ILE A 57 26.102 9.475 -19.090 1.00 0.00 H new ATOM 1100 N PHE A 58 26.158 3.460 -18.126 1.00 0.00 N ATOM 1101 CA PHE A 58 26.467 2.552 -16.985 1.00 0.00 C ATOM 1102 C PHE A 58 27.858 2.883 -16.431 1.00 0.00 C ATOM 1103 O PHE A 58 28.778 3.195 -17.184 1.00 0.00 O ATOM 1104 CB PHE A 58 26.444 1.100 -17.466 1.00 0.00 C ATOM 1105 CG PHE A 58 25.017 0.670 -17.706 1.00 0.00 C ATOM 1106 CD1 PHE A 58 24.220 0.250 -16.633 1.00 0.00 C ATOM 1107 CD2 PHE A 58 24.490 0.690 -19.003 1.00 0.00 C ATOM 1108 CE1 PHE A 58 22.897 -0.150 -16.858 1.00 0.00 C ATOM 1109 CE2 PHE A 58 23.168 0.289 -19.228 1.00 0.00 C ATOM 1110 CZ PHE A 58 22.372 -0.131 -18.156 1.00 0.00 C ATOM 0 H PHE A 58 26.600 3.213 -19.012 1.00 0.00 H new ATOM 0 HA PHE A 58 25.721 2.687 -16.202 1.00 0.00 H new ATOM 0 HB2 PHE A 58 27.024 1.001 -18.384 1.00 0.00 H new ATOM 0 HB3 PHE A 58 26.910 0.453 -16.723 1.00 0.00 H new ATOM 0 HD1 PHE A 58 24.626 0.235 -15.632 1.00 0.00 H new ATOM 0 HD2 PHE A 58 25.104 1.015 -19.830 1.00 0.00 H new ATOM 0 HE1 PHE A 58 22.282 -0.473 -16.031 1.00 0.00 H new ATOM 0 HE2 PHE A 58 22.762 0.304 -20.229 1.00 0.00 H new ATOM 0 HZ PHE A 58 21.352 -0.441 -18.330 1.00 0.00 H new ATOM 1111 N LYS A 59 28.039 2.824 -15.127 1.00 0.00 N ATOM 1112 CA LYS A 59 29.389 3.140 -14.544 1.00 0.00 C ATOM 1113 C LYS A 59 30.471 2.312 -15.259 1.00 0.00 C ATOM 1114 O LYS A 59 31.562 2.809 -15.534 1.00 0.00 O ATOM 1115 CB LYS A 59 29.414 2.809 -13.045 1.00 0.00 C ATOM 1116 CG LYS A 59 30.638 3.462 -12.398 1.00 0.00 C ATOM 1117 CD LYS A 59 31.800 2.466 -12.378 1.00 0.00 C ATOM 1118 CE LYS A 59 31.839 1.749 -11.027 1.00 0.00 C ATOM 1119 NZ LYS A 59 32.708 0.543 -11.129 1.00 0.00 N ATOM 0 H LYS A 59 27.319 2.574 -14.449 1.00 0.00 H new ATOM 0 HA LYS A 59 29.585 4.203 -14.681 1.00 0.00 H new ATOM 0 HB2 LYS A 59 28.502 3.168 -12.567 1.00 0.00 H new ATOM 0 HB3 LYS A 59 29.446 1.729 -12.901 1.00 0.00 H new ATOM 0 HG2 LYS A 59 30.922 4.356 -12.953 1.00 0.00 H new ATOM 0 HG3 LYS A 59 30.400 3.779 -11.383 1.00 0.00 H new ATOM 0 HD2 LYS A 59 31.684 1.740 -13.183 1.00 0.00 H new ATOM 0 HD3 LYS A 59 32.742 2.987 -12.552 1.00 0.00 H new ATOM 0 HE2 LYS A 59 32.220 2.421 -10.258 1.00 0.00 H new ATOM 0 HE3 LYS A 59 30.832 1.460 -10.727 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 32.735 0.056 -10.211 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 32.326 -0.100 -11.851 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 33.671 0.831 -11.396 1.00 0.00 H new ATOM 1120 N GLU A 60 30.197 1.063 -15.568 1.00 0.00 N ATOM 1121 CA GLU A 60 31.215 0.229 -16.260 1.00 0.00 C ATOM 1122 C GLU A 60 30.664 -0.220 -17.623 1.00 0.00 C ATOM 1123 O GLU A 60 29.452 -0.321 -17.809 1.00 0.00 O ATOM 1124 CB GLU A 60 31.536 -1.002 -15.405 1.00 0.00 C ATOM 1125 CG GLU A 60 33.046 -1.254 -15.404 1.00 0.00 C ATOM 1126 CD GLU A 60 33.393 -2.287 -16.477 1.00 0.00 C ATOM 1127 OE1 GLU A 60 32.944 -3.414 -16.353 1.00 0.00 O ATOM 1128 OE2 GLU A 60 34.101 -1.932 -17.405 1.00 0.00 O ATOM 0 H GLU A 60 29.314 0.594 -15.368 1.00 0.00 H new ATOM 0 HA GLU A 60 32.124 0.812 -16.409 1.00 0.00 H new ATOM 0 HB2 GLU A 60 31.183 -0.850 -14.385 1.00 0.00 H new ATOM 0 HB3 GLU A 60 31.013 -1.874 -15.797 1.00 0.00 H new ATOM 0 HG2 GLU A 60 33.581 -0.323 -15.594 1.00 0.00 H new ATOM 0 HG3 GLU A 60 33.365 -1.610 -14.425 1.00 0.00 H new ATOM 1129 N VAL A 61 31.523 -0.493 -18.582 1.00 0.00 N ATOM 1130 CA VAL A 61 31.021 -0.937 -19.924 1.00 0.00 C ATOM 1131 C VAL A 61 30.427 -2.350 -19.821 1.00 0.00 C ATOM 1132 O VAL A 61 29.455 -2.667 -20.498 1.00 0.00 O ATOM 1133 CB VAL A 61 32.164 -0.942 -20.952 1.00 0.00 C ATOM 1134 CG1 VAL A 61 31.608 -1.300 -22.335 1.00 0.00 C ATOM 1135 CG2 VAL A 61 32.812 0.446 -21.004 1.00 0.00 C ATOM 0 H VAL A 61 32.537 -0.428 -18.494 1.00 0.00 H new ATOM 0 HA VAL A 61 30.251 -0.238 -20.250 1.00 0.00 H new ATOM 0 HB VAL A 61 32.911 -1.680 -20.660 1.00 0.00 H new ATOM 0 HG11 VAL A 61 32.419 -1.303 -23.063 1.00 0.00 H new ATOM 0 HG12 VAL A 61 31.149 -2.288 -22.298 1.00 0.00 H new ATOM 0 HG13 VAL A 61 30.860 -0.563 -22.628 1.00 0.00 H new ATOM 0 HG21 VAL A 61 33.622 0.442 -21.733 1.00 0.00 H new ATOM 0 HG22 VAL A 61 32.066 1.185 -21.295 1.00 0.00 H new ATOM 0 HG23 VAL A 61 33.209 0.699 -20.021 1.00 0.00 H new ATOM 1136 N SER A 62 30.989 -3.212 -19.000 1.00 0.00 N ATOM 1137 CA SER A 62 30.434 -4.603 -18.883 1.00 0.00 C ATOM 1138 C SER A 62 28.972 -4.549 -18.404 1.00 0.00 C ATOM 1139 O SER A 62 28.143 -5.346 -18.840 1.00 0.00 O ATOM 1140 CB SER A 62 31.259 -5.422 -17.882 1.00 0.00 C ATOM 1141 OG SER A 62 30.857 -5.089 -16.560 1.00 0.00 O ATOM 0 H SER A 62 31.799 -3.015 -18.412 1.00 0.00 H new ATOM 0 HA SER A 62 30.481 -5.076 -19.864 1.00 0.00 H new ATOM 0 HB2 SER A 62 31.116 -6.488 -18.061 1.00 0.00 H new ATOM 0 HB3 SER A 62 32.321 -5.217 -18.014 1.00 0.00 H new ATOM 0 HG SER A 62 31.492 -4.448 -16.177 1.00 0.00 H new ATOM 1142 N SER A 63 28.633 -3.642 -17.512 1.00 0.00 N ATOM 1143 CA SER A 63 27.214 -3.573 -17.021 1.00 0.00 C ATOM 1144 C SER A 63 26.255 -3.322 -18.200 1.00 0.00 C ATOM 1145 O SER A 63 25.143 -3.850 -18.227 1.00 0.00 O ATOM 1146 CB SER A 63 27.058 -2.443 -15.999 1.00 0.00 C ATOM 1147 OG SER A 63 25.925 -2.705 -15.179 1.00 0.00 O ATOM 0 H SER A 63 29.269 -2.955 -17.107 1.00 0.00 H new ATOM 0 HA SER A 63 26.970 -4.524 -16.548 1.00 0.00 H new ATOM 0 HB2 SER A 63 27.956 -2.365 -15.385 1.00 0.00 H new ATOM 0 HB3 SER A 63 26.938 -1.488 -16.511 1.00 0.00 H new ATOM 0 HG SER A 63 25.229 -3.141 -15.713 1.00 0.00 H new ATOM 1148 N ALA A 64 26.652 -2.536 -19.182 1.00 0.00 N ATOM 1149 CA ALA A 64 25.742 -2.281 -20.340 1.00 0.00 C ATOM 1150 C ALA A 64 25.718 -3.512 -21.259 1.00 0.00 C ATOM 1151 O ALA A 64 24.718 -3.770 -21.927 1.00 0.00 O ATOM 1152 CB ALA A 64 26.217 -1.054 -21.135 1.00 0.00 C ATOM 0 H ALA A 64 27.557 -2.068 -19.227 1.00 0.00 H new ATOM 0 HA ALA A 64 24.738 -2.088 -19.961 1.00 0.00 H new ATOM 0 HB1 ALA A 64 25.544 -0.882 -21.975 1.00 0.00 H new ATOM 0 HB2 ALA A 64 26.219 -0.178 -20.486 1.00 0.00 H new ATOM 0 HB3 ALA A 64 27.226 -1.231 -21.509 1.00 0.00 H new ATOM 1153 N THR A 65 26.787 -4.281 -21.315 1.00 0.00 N ATOM 1154 CA THR A 65 26.782 -5.483 -22.202 1.00 0.00 C ATOM 1155 C THR A 65 25.714 -6.477 -21.714 1.00 0.00 C ATOM 1156 O THR A 65 25.043 -7.119 -22.519 1.00 0.00 O ATOM 1157 CB THR A 65 28.156 -6.167 -22.196 1.00 0.00 C ATOM 1158 OG1 THR A 65 29.174 -5.180 -22.107 1.00 0.00 O ATOM 1159 CG2 THR A 65 28.331 -6.969 -23.488 1.00 0.00 C ATOM 0 H THR A 65 27.648 -4.127 -20.791 1.00 0.00 H new ATOM 0 HA THR A 65 26.555 -5.164 -23.219 1.00 0.00 H new ATOM 0 HB THR A 65 28.226 -6.839 -21.340 1.00 0.00 H new ATOM 0 HG1 THR A 65 30.052 -5.615 -22.101 1.00 0.00 H new ATOM 0 HG21 THR A 65 29.306 -7.455 -23.485 1.00 0.00 H new ATOM 0 HG22 THR A 65 27.549 -7.725 -23.556 1.00 0.00 H new ATOM 0 HG23 THR A 65 28.262 -6.298 -24.345 1.00 0.00 H new ATOM 1160 N ASN A 66 25.537 -6.620 -20.416 1.00 0.00 N ATOM 1161 CA ASN A 66 24.501 -7.577 -19.909 1.00 0.00 C ATOM 1162 C ASN A 66 23.100 -6.947 -20.032 1.00 0.00 C ATOM 1163 O ASN A 66 22.118 -7.654 -20.244 1.00 0.00 O ATOM 1164 CB ASN A 66 24.779 -7.930 -18.436 1.00 0.00 C ATOM 1165 CG ASN A 66 25.064 -9.433 -18.307 1.00 0.00 C ATOM 1166 OD1 ASN A 66 24.504 -10.099 -17.439 1.00 0.00 O ATOM 1167 ND2 ASN A 66 25.908 -10.012 -19.127 1.00 0.00 N ATOM 0 H ASN A 66 26.060 -6.121 -19.696 1.00 0.00 H new ATOM 0 HA ASN A 66 24.543 -8.487 -20.508 1.00 0.00 H new ATOM 0 HB2 ASN A 66 25.630 -7.356 -18.069 1.00 0.00 H new ATOM 0 HB3 ASN A 66 23.922 -7.659 -17.819 1.00 0.00 H new ATOM 0 HD21 ASN A 66 26.097 -11.011 -19.043 1.00 0.00 H new ATOM 0 HD22 ASN A 66 26.375 -9.464 -19.849 1.00 0.00 H new ATOM 1168 N ALA A 67 22.974 -5.642 -19.899 1.00 0.00 N ATOM 1169 CA ALA A 67 21.617 -5.012 -20.015 1.00 0.00 C ATOM 1170 C ALA A 67 21.163 -4.914 -21.492 1.00 0.00 C ATOM 1171 O ALA A 67 19.993 -4.643 -21.757 1.00 0.00 O ATOM 1172 CB ALA A 67 21.642 -3.604 -19.408 1.00 0.00 C ATOM 0 H ALA A 67 23.742 -4.996 -19.718 1.00 0.00 H new ATOM 0 HA ALA A 67 20.912 -5.643 -19.475 1.00 0.00 H new ATOM 0 HB1 ALA A 67 20.654 -3.152 -19.496 1.00 0.00 H new ATOM 0 HB2 ALA A 67 21.921 -3.666 -18.356 1.00 0.00 H new ATOM 0 HB3 ALA A 67 22.369 -2.991 -19.940 1.00 0.00 H new ATOM 1173 N LEU A 68 22.040 -5.109 -22.461 1.00 0.00 N ATOM 1174 CA LEU A 68 21.605 -4.997 -23.888 1.00 0.00 C ATOM 1175 C LEU A 68 21.347 -6.394 -24.483 1.00 0.00 C ATOM 1176 O LEU A 68 20.361 -6.600 -25.189 1.00 0.00 O ATOM 1177 CB LEU A 68 22.701 -4.301 -24.702 1.00 0.00 C ATOM 1178 CG LEU A 68 22.109 -3.746 -26.008 1.00 0.00 C ATOM 1179 CD1 LEU A 68 21.980 -2.224 -25.913 1.00 0.00 C ATOM 1180 CD2 LEU A 68 23.025 -4.102 -27.182 1.00 0.00 C ATOM 0 H LEU A 68 23.024 -5.338 -22.321 1.00 0.00 H new ATOM 0 HA LEU A 68 20.683 -4.417 -23.928 1.00 0.00 H new ATOM 0 HB2 LEU A 68 23.141 -3.492 -24.119 1.00 0.00 H new ATOM 0 HB3 LEU A 68 23.503 -5.005 -24.926 1.00 0.00 H new ATOM 0 HG LEU A 68 21.124 -4.185 -26.166 1.00 0.00 H new ATOM 0 HD11 LEU A 68 21.560 -1.836 -26.841 1.00 0.00 H new ATOM 0 HD12 LEU A 68 21.324 -1.966 -25.082 1.00 0.00 H new ATOM 0 HD13 LEU A 68 22.964 -1.785 -25.749 1.00 0.00 H new ATOM 0 HD21 LEU A 68 22.602 -3.707 -28.106 1.00 0.00 H new ATOM 0 HD22 LEU A 68 24.011 -3.667 -27.019 1.00 0.00 H new ATOM 0 HD23 LEU A 68 23.115 -5.186 -27.258 1.00 0.00 H new ATOM 1181 N ARG A 69 22.209 -7.354 -24.225 1.00 0.00 N ATOM 1182 CA ARG A 69 21.991 -8.722 -24.801 1.00 0.00 C ATOM 1183 C ARG A 69 20.896 -9.451 -24.007 1.00 0.00 C ATOM 1184 O ARG A 69 20.050 -10.133 -24.583 1.00 0.00 O ATOM 1185 CB ARG A 69 23.291 -9.537 -24.740 1.00 0.00 C ATOM 1186 CG ARG A 69 24.400 -8.785 -25.482 1.00 0.00 C ATOM 1187 CD ARG A 69 25.720 -9.542 -25.335 1.00 0.00 C ATOM 1188 NE ARG A 69 25.695 -10.759 -26.194 1.00 0.00 N ATOM 1189 CZ ARG A 69 26.761 -11.108 -26.862 1.00 0.00 C ATOM 1190 NH1 ARG A 69 27.082 -10.473 -27.955 1.00 0.00 N ATOM 1191 NH2 ARG A 69 27.505 -12.092 -26.434 1.00 0.00 N ATOM 0 H ARG A 69 23.044 -7.251 -23.648 1.00 0.00 H new ATOM 0 HA ARG A 69 21.682 -8.619 -25.841 1.00 0.00 H new ATOM 0 HB2 ARG A 69 23.581 -9.703 -23.702 1.00 0.00 H new ATOM 0 HB3 ARG A 69 23.139 -10.518 -25.189 1.00 0.00 H new ATOM 0 HG2 ARG A 69 24.142 -8.684 -26.536 1.00 0.00 H new ATOM 0 HG3 ARG A 69 24.501 -7.777 -25.081 1.00 0.00 H new ATOM 0 HD2 ARG A 69 26.553 -8.900 -25.621 1.00 0.00 H new ATOM 0 HD3 ARG A 69 25.876 -9.823 -24.293 1.00 0.00 H new ATOM 0 HE ARG A 69 24.845 -11.319 -26.260 1.00 0.00 H new ATOM 0 HH11 ARG A 69 26.500 -9.704 -28.288 1.00 0.00 H new ATOM 0 HH12 ARG A 69 27.915 -10.745 -28.477 1.00 0.00 H new ATOM 0 HH21 ARG A 69 27.253 -12.587 -25.579 1.00 0.00 H new ATOM 0 HH22 ARG A 69 28.338 -12.366 -26.955 1.00 0.00 H new ATOM 1192 N SER A 70 20.890 -9.323 -22.701 1.00 0.00 N ATOM 1193 CA SER A 70 19.837 -10.018 -21.889 1.00 0.00 C ATOM 1194 C SER A 70 18.450 -9.447 -22.235 1.00 0.00 C ATOM 1195 O SER A 70 17.462 -10.179 -22.260 1.00 0.00 O ATOM 1196 CB SER A 70 20.101 -9.821 -20.391 1.00 0.00 C ATOM 1197 OG SER A 70 19.128 -10.540 -19.644 1.00 0.00 O ATOM 0 H SER A 70 21.561 -8.773 -22.165 1.00 0.00 H new ATOM 0 HA SER A 70 19.867 -11.082 -22.122 1.00 0.00 H new ATOM 0 HB2 SER A 70 21.102 -10.170 -20.137 1.00 0.00 H new ATOM 0 HB3 SER A 70 20.060 -8.761 -20.139 1.00 0.00 H new ATOM 0 HG SER A 70 19.295 -10.417 -18.686 1.00 0.00 H new ATOM 1198 N MET A 71 18.347 -8.160 -22.505 1.00 0.00 N ATOM 1199 CA MET A 71 17.015 -7.579 -22.844 1.00 0.00 C ATOM 1200 C MET A 71 16.918 -7.347 -24.362 1.00 0.00 C ATOM 1201 O MET A 71 16.323 -6.368 -24.808 1.00 0.00 O ATOM 1202 CB MET A 71 16.842 -6.245 -22.114 1.00 0.00 C ATOM 1203 CG MET A 71 16.728 -6.497 -20.609 1.00 0.00 C ATOM 1204 SD MET A 71 16.310 -4.948 -19.768 1.00 0.00 S ATOM 1205 CE MET A 71 14.511 -5.133 -19.834 1.00 0.00 C ATOM 0 H MET A 71 19.124 -7.499 -22.504 1.00 0.00 H new ATOM 0 HA MET A 71 16.232 -8.271 -22.535 1.00 0.00 H new ATOM 0 HB2 MET A 71 17.690 -5.593 -22.321 1.00 0.00 H new ATOM 0 HB3 MET A 71 15.950 -5.733 -22.476 1.00 0.00 H new ATOM 0 HG2 MET A 71 15.963 -7.248 -20.412 1.00 0.00 H new ATOM 0 HG3 MET A 71 17.668 -6.891 -20.223 1.00 0.00 H new ATOM 0 HE1 MET A 71 14.039 -4.271 -19.362 1.00 0.00 H new ATOM 0 HE2 MET A 71 14.190 -5.198 -20.874 1.00 0.00 H new ATOM 0 HE3 MET A 71 14.219 -6.041 -19.306 1.00 0.00 H new ATOM 1206 N GLN A 72 17.484 -8.222 -25.168 1.00 0.00 N ATOM 1207 CA GLN A 72 17.398 -8.023 -26.652 1.00 0.00 C ATOM 1208 C GLN A 72 15.925 -8.071 -27.079 1.00 0.00 C ATOM 1209 O GLN A 72 15.335 -9.145 -27.180 1.00 0.00 O ATOM 1210 CB GLN A 72 18.173 -9.127 -27.387 1.00 0.00 C ATOM 1211 CG GLN A 72 19.611 -8.667 -27.637 1.00 0.00 C ATOM 1212 CD GLN A 72 19.725 -8.085 -29.051 1.00 0.00 C ATOM 1213 OE1 GLN A 72 20.022 -8.809 -29.998 1.00 0.00 O ATOM 1214 NE2 GLN A 72 19.505 -6.809 -29.253 1.00 0.00 N ATOM 0 H GLN A 72 17.994 -9.052 -24.866 1.00 0.00 H new ATOM 0 HA GLN A 72 17.834 -7.057 -26.907 1.00 0.00 H new ATOM 0 HB2 GLN A 72 18.171 -10.042 -26.795 1.00 0.00 H new ATOM 0 HB3 GLN A 72 17.685 -9.359 -28.334 1.00 0.00 H new ATOM 0 HG2 GLN A 72 19.897 -7.917 -26.900 1.00 0.00 H new ATOM 0 HG3 GLN A 72 20.297 -9.506 -27.521 1.00 0.00 H new ATOM 0 HE21 GLN A 72 19.258 -6.204 -28.470 1.00 0.00 H new ATOM 0 HE22 GLN A 72 19.581 -6.421 -30.193 1.00 0.00 H new ATOM 1215 N GLY A 73 15.311 -6.933 -27.325 1.00 0.00 N ATOM 1216 CA GLY A 73 13.877 -6.938 -27.735 1.00 0.00 C ATOM 1217 C GLY A 73 13.006 -7.254 -26.511 1.00 0.00 C ATOM 1218 O GLY A 73 12.399 -8.322 -26.430 1.00 0.00 O ATOM 0 H GLY A 73 15.742 -6.011 -27.259 1.00 0.00 H new ATOM 0 HA2 GLY A 73 13.602 -5.969 -28.152 1.00 0.00 H new ATOM 0 HA3 GLY A 73 13.712 -7.680 -28.516 1.00 0.00 H new ATOM 1219 N PHE A 74 12.932 -6.357 -25.552 1.00 0.00 N ATOM 1220 CA PHE A 74 12.102 -6.628 -24.343 1.00 0.00 C ATOM 1221 C PHE A 74 11.007 -5.555 -24.213 1.00 0.00 C ATOM 1222 O PHE A 74 11.107 -4.499 -24.833 1.00 0.00 O ATOM 1223 CB PHE A 74 12.993 -6.599 -23.098 1.00 0.00 C ATOM 1224 CG PHE A 74 13.352 -8.011 -22.699 1.00 0.00 C ATOM 1225 CD1 PHE A 74 14.059 -8.830 -23.588 1.00 0.00 C ATOM 1226 CD2 PHE A 74 12.978 -8.500 -21.442 1.00 0.00 C ATOM 1227 CE1 PHE A 74 14.392 -10.139 -23.219 1.00 0.00 C ATOM 1228 CE2 PHE A 74 13.310 -9.808 -21.073 1.00 0.00 C ATOM 1229 CZ PHE A 74 14.018 -10.628 -21.962 1.00 0.00 C ATOM 0 H PHE A 74 13.410 -5.456 -25.559 1.00 0.00 H new ATOM 0 HA PHE A 74 11.636 -7.609 -24.438 1.00 0.00 H new ATOM 0 HB2 PHE A 74 13.898 -6.026 -23.299 1.00 0.00 H new ATOM 0 HB3 PHE A 74 12.475 -6.099 -22.279 1.00 0.00 H new ATOM 0 HD1 PHE A 74 14.347 -8.452 -24.558 1.00 0.00 H new ATOM 0 HD2 PHE A 74 12.433 -7.868 -20.757 1.00 0.00 H new ATOM 0 HE1 PHE A 74 14.937 -10.771 -23.904 1.00 0.00 H new ATOM 0 HE2 PHE A 74 13.021 -10.186 -20.103 1.00 0.00 H new ATOM 0 HZ PHE A 74 14.275 -11.638 -21.677 1.00 0.00 H new ATOM 1230 N PRO A 75 9.987 -5.833 -23.418 1.00 0.00 N ATOM 1231 CA PRO A 75 8.879 -4.884 -23.214 1.00 0.00 C ATOM 1232 C PRO A 75 9.298 -3.770 -22.241 1.00 0.00 C ATOM 1233 O PRO A 75 9.873 -4.038 -21.187 1.00 0.00 O ATOM 1234 CB PRO A 75 7.766 -5.746 -22.609 1.00 0.00 C ATOM 1235 CG PRO A 75 8.459 -6.975 -21.979 1.00 0.00 C ATOM 1236 CD PRO A 75 9.838 -7.098 -22.654 1.00 0.00 C ATOM 0 HA PRO A 75 8.571 -4.386 -24.133 1.00 0.00 H new ATOM 0 HB2 PRO A 75 7.207 -5.188 -21.858 1.00 0.00 H new ATOM 0 HB3 PRO A 75 7.053 -6.052 -23.374 1.00 0.00 H new ATOM 0 HG2 PRO A 75 8.565 -6.850 -20.901 1.00 0.00 H new ATOM 0 HG3 PRO A 75 7.868 -7.877 -22.138 1.00 0.00 H new ATOM 0 HD2 PRO A 75 10.633 -7.213 -21.917 1.00 0.00 H new ATOM 0 HD3 PRO A 75 9.883 -7.967 -23.311 1.00 0.00 H new ATOM 1237 N PHE A 76 9.023 -2.526 -22.567 1.00 0.00 N ATOM 1238 CA PHE A 76 9.409 -1.413 -21.654 1.00 0.00 C ATOM 1239 C PHE A 76 8.149 -0.615 -21.285 1.00 0.00 C ATOM 1240 O PHE A 76 7.790 -0.513 -20.112 1.00 0.00 O ATOM 1241 CB PHE A 76 10.424 -0.507 -22.367 1.00 0.00 C ATOM 1242 CG PHE A 76 10.851 0.649 -21.477 1.00 0.00 C ATOM 1243 CD1 PHE A 76 10.955 0.492 -20.085 1.00 0.00 C ATOM 1244 CD2 PHE A 76 11.155 1.886 -22.060 1.00 0.00 C ATOM 1245 CE1 PHE A 76 11.357 1.568 -19.286 1.00 0.00 C ATOM 1246 CE2 PHE A 76 11.557 2.960 -21.259 1.00 0.00 C ATOM 1247 CZ PHE A 76 11.658 2.802 -19.873 1.00 0.00 C ATOM 0 H PHE A 76 8.549 -2.240 -23.424 1.00 0.00 H new ATOM 0 HA PHE A 76 9.864 -1.807 -20.745 1.00 0.00 H new ATOM 0 HB2 PHE A 76 11.299 -1.091 -22.653 1.00 0.00 H new ATOM 0 HB3 PHE A 76 9.986 -0.119 -23.286 1.00 0.00 H new ATOM 0 HD1 PHE A 76 10.724 -0.460 -19.631 1.00 0.00 H new ATOM 0 HD2 PHE A 76 11.079 2.011 -23.130 1.00 0.00 H new ATOM 0 HE1 PHE A 76 11.435 1.446 -18.216 1.00 0.00 H new ATOM 0 HE2 PHE A 76 11.790 3.913 -21.711 1.00 0.00 H new ATOM 0 HZ PHE A 76 11.968 3.632 -19.256 1.00 0.00 H new ATOM 1248 N TYR A 77 7.456 -0.060 -22.256 1.00 0.00 N ATOM 1249 CA TYR A 77 6.218 0.704 -21.947 1.00 0.00 C ATOM 1250 C TYR A 77 5.056 0.121 -22.765 1.00 0.00 C ATOM 1251 O TYR A 77 4.547 0.760 -23.684 1.00 0.00 O ATOM 1252 CB TYR A 77 6.412 2.177 -22.308 1.00 0.00 C ATOM 1253 CG TYR A 77 6.789 2.951 -21.070 1.00 0.00 C ATOM 1254 CD1 TYR A 77 8.041 2.755 -20.480 1.00 0.00 C ATOM 1255 CD2 TYR A 77 5.884 3.859 -20.509 1.00 0.00 C ATOM 1256 CE1 TYR A 77 8.392 3.467 -19.329 1.00 0.00 C ATOM 1257 CE2 TYR A 77 6.233 4.573 -19.357 1.00 0.00 C ATOM 1258 CZ TYR A 77 7.488 4.377 -18.767 1.00 0.00 C ATOM 1259 OH TYR A 77 7.835 5.081 -17.631 1.00 0.00 O ATOM 0 H TYR A 77 7.700 -0.107 -23.245 1.00 0.00 H new ATOM 0 HA TYR A 77 5.997 0.628 -20.882 1.00 0.00 H new ATOM 0 HB2 TYR A 77 7.190 2.278 -23.064 1.00 0.00 H new ATOM 0 HB3 TYR A 77 5.496 2.581 -22.738 1.00 0.00 H new ATOM 0 HD1 TYR A 77 8.738 2.053 -20.914 1.00 0.00 H new ATOM 0 HD2 TYR A 77 4.916 4.009 -20.965 1.00 0.00 H new ATOM 0 HE1 TYR A 77 9.360 3.315 -18.874 1.00 0.00 H new ATOM 0 HE2 TYR A 77 5.535 5.274 -18.923 1.00 0.00 H new ATOM 0 HH TYR A 77 8.803 5.233 -17.623 1.00 0.00 H new ATOM 1260 N ASP A 78 4.629 -1.088 -22.460 1.00 0.00 N ATOM 1261 CA ASP A 78 3.512 -1.701 -23.236 1.00 0.00 C ATOM 1262 C ASP A 78 3.924 -1.810 -24.712 1.00 0.00 C ATOM 1263 O ASP A 78 3.131 -1.532 -25.610 1.00 0.00 O ATOM 1264 CB ASP A 78 2.260 -0.827 -23.113 1.00 0.00 C ATOM 1265 CG ASP A 78 1.370 -1.365 -21.992 1.00 0.00 C ATOM 1266 OD1 ASP A 78 0.622 -2.294 -22.251 1.00 0.00 O ATOM 1267 OD2 ASP A 78 1.452 -0.841 -20.894 1.00 0.00 O ATOM 0 H ASP A 78 5.007 -1.668 -21.711 1.00 0.00 H new ATOM 0 HA ASP A 78 3.294 -2.694 -22.843 1.00 0.00 H new ATOM 0 HB2 ASP A 78 2.543 0.205 -22.904 1.00 0.00 H new ATOM 0 HB3 ASP A 78 1.713 -0.822 -24.056 1.00 0.00 H new ATOM 1268 N LYS A 79 5.151 -2.205 -24.988 1.00 0.00 N ATOM 1269 CA LYS A 79 5.591 -2.320 -26.415 1.00 0.00 C ATOM 1270 C LYS A 79 6.996 -2.963 -26.483 1.00 0.00 C ATOM 1271 O LYS A 79 7.833 -2.680 -25.629 1.00 0.00 O ATOM 1272 CB LYS A 79 5.645 -0.919 -27.032 1.00 0.00 C ATOM 1273 CG LYS A 79 5.358 -1.003 -28.533 1.00 0.00 C ATOM 1274 CD LYS A 79 4.957 0.378 -29.058 1.00 0.00 C ATOM 1275 CE LYS A 79 5.551 0.590 -30.452 1.00 0.00 C ATOM 1276 NZ LYS A 79 4.643 1.459 -31.253 1.00 0.00 N ATOM 0 H LYS A 79 5.856 -2.449 -24.293 1.00 0.00 H new ATOM 0 HA LYS A 79 4.886 -2.944 -26.964 1.00 0.00 H new ATOM 0 HB2 LYS A 79 4.915 -0.270 -26.548 1.00 0.00 H new ATOM 0 HB3 LYS A 79 6.626 -0.475 -26.864 1.00 0.00 H new ATOM 0 HG2 LYS A 79 6.240 -1.362 -29.063 1.00 0.00 H new ATOM 0 HG3 LYS A 79 4.559 -1.721 -28.721 1.00 0.00 H new ATOM 0 HD2 LYS A 79 3.871 0.462 -29.098 1.00 0.00 H new ATOM 0 HD3 LYS A 79 5.312 1.153 -28.379 1.00 0.00 H new ATOM 0 HE2 LYS A 79 6.536 1.050 -30.373 1.00 0.00 H new ATOM 0 HE3 LYS A 79 5.687 -0.370 -30.951 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 5.047 1.603 -32.200 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 3.712 1.003 -31.339 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 4.535 2.379 -30.779 1.00 0.00 H new ATOM 1277 N PRO A 80 7.243 -3.803 -27.479 1.00 0.00 N ATOM 1278 CA PRO A 80 8.555 -4.460 -27.625 1.00 0.00 C ATOM 1279 C PRO A 80 9.576 -3.477 -28.217 1.00 0.00 C ATOM 1280 O PRO A 80 9.223 -2.619 -29.026 1.00 0.00 O ATOM 1281 CB PRO A 80 8.279 -5.617 -28.591 1.00 0.00 C ATOM 1282 CG PRO A 80 7.003 -5.237 -29.376 1.00 0.00 C ATOM 1283 CD PRO A 80 6.267 -4.177 -28.535 1.00 0.00 C ATOM 0 HA PRO A 80 8.973 -4.801 -26.678 1.00 0.00 H new ATOM 0 HB2 PRO A 80 9.121 -5.767 -29.267 1.00 0.00 H new ATOM 0 HB3 PRO A 80 8.137 -6.551 -28.047 1.00 0.00 H new ATOM 0 HG2 PRO A 80 7.257 -4.843 -30.360 1.00 0.00 H new ATOM 0 HG3 PRO A 80 6.372 -6.111 -29.536 1.00 0.00 H new ATOM 0 HD2 PRO A 80 5.985 -3.315 -29.140 1.00 0.00 H new ATOM 0 HD3 PRO A 80 5.349 -4.578 -28.104 1.00 0.00 H new ATOM 1284 N MET A 81 10.832 -3.571 -27.833 1.00 0.00 N ATOM 1285 CA MET A 81 11.846 -2.623 -28.384 1.00 0.00 C ATOM 1286 C MET A 81 13.249 -3.252 -28.334 1.00 0.00 C ATOM 1287 O MET A 81 13.622 -3.889 -27.349 1.00 0.00 O ATOM 1288 CB MET A 81 11.842 -1.333 -27.555 1.00 0.00 C ATOM 1289 CG MET A 81 11.974 -1.672 -26.067 1.00 0.00 C ATOM 1290 SD MET A 81 13.047 -0.455 -25.263 1.00 0.00 S ATOM 1291 CE MET A 81 13.772 -1.571 -24.036 1.00 0.00 C ATOM 0 H MET A 81 11.191 -4.257 -27.169 1.00 0.00 H new ATOM 0 HA MET A 81 11.592 -2.400 -29.420 1.00 0.00 H new ATOM 0 HB2 MET A 81 12.664 -0.688 -27.865 1.00 0.00 H new ATOM 0 HB3 MET A 81 10.919 -0.780 -27.731 1.00 0.00 H new ATOM 0 HG2 MET A 81 10.991 -1.674 -25.595 1.00 0.00 H new ATOM 0 HG3 MET A 81 12.388 -2.673 -25.947 1.00 0.00 H new ATOM 0 HE1 MET A 81 14.124 -0.993 -23.182 1.00 0.00 H new ATOM 0 HE2 MET A 81 13.019 -2.286 -23.705 1.00 0.00 H new ATOM 0 HE3 MET A 81 14.610 -2.107 -24.482 1.00 0.00 H new ATOM 1292 N ARG A 82 14.041 -3.078 -29.372 1.00 0.00 N ATOM 1293 CA ARG A 82 15.417 -3.656 -29.369 1.00 0.00 C ATOM 1294 C ARG A 82 16.415 -2.550 -29.010 1.00 0.00 C ATOM 1295 O ARG A 82 16.177 -1.376 -29.291 1.00 0.00 O ATOM 1296 CB ARG A 82 15.745 -4.210 -30.758 1.00 0.00 C ATOM 1297 CG ARG A 82 14.675 -5.224 -31.171 1.00 0.00 C ATOM 1298 CD ARG A 82 14.726 -5.430 -32.686 1.00 0.00 C ATOM 1299 NE ARG A 82 13.362 -5.753 -33.191 1.00 0.00 N ATOM 1300 CZ ARG A 82 12.881 -5.119 -34.226 1.00 0.00 C ATOM 1301 NH1 ARG A 82 12.356 -3.933 -34.078 1.00 0.00 N ATOM 1302 NH2 ARG A 82 12.927 -5.669 -35.408 1.00 0.00 N ATOM 0 H ARG A 82 13.790 -2.562 -30.215 1.00 0.00 H new ATOM 0 HA ARG A 82 15.478 -4.464 -28.639 1.00 0.00 H new ATOM 0 HB2 ARG A 82 15.790 -3.398 -31.483 1.00 0.00 H new ATOM 0 HB3 ARG A 82 16.726 -4.684 -30.749 1.00 0.00 H new ATOM 0 HG2 ARG A 82 14.840 -6.172 -30.659 1.00 0.00 H new ATOM 0 HG3 ARG A 82 13.688 -4.869 -30.874 1.00 0.00 H new ATOM 0 HD2 ARG A 82 15.102 -4.530 -33.173 1.00 0.00 H new ATOM 0 HD3 ARG A 82 15.416 -6.237 -32.931 1.00 0.00 H new ATOM 0 HE ARG A 82 12.804 -6.470 -32.728 1.00 0.00 H new ATOM 0 HH11 ARG A 82 12.322 -3.502 -33.154 1.00 0.00 H new ATOM 0 HH12 ARG A 82 11.980 -3.437 -34.886 1.00 0.00 H new ATOM 0 HH21 ARG A 82 13.339 -6.595 -35.524 1.00 0.00 H new ATOM 0 HH22 ARG A 82 12.551 -5.173 -36.216 1.00 0.00 H new ATOM 1303 N ILE A 83 17.521 -2.885 -28.383 1.00 0.00 N ATOM 1304 CA ILE A 83 18.506 -1.825 -28.009 1.00 0.00 C ATOM 1305 C ILE A 83 19.815 -2.021 -28.786 1.00 0.00 C ATOM 1306 O ILE A 83 20.303 -3.140 -28.935 1.00 0.00 O ATOM 1307 CB ILE A 83 18.819 -1.877 -26.505 1.00 0.00 C ATOM 1308 CG1 ILE A 83 17.549 -2.187 -25.698 1.00 0.00 C ATOM 1309 CG2 ILE A 83 19.382 -0.523 -26.064 1.00 0.00 C ATOM 1310 CD1 ILE A 83 17.552 -3.663 -25.297 1.00 0.00 C ATOM 0 H ILE A 83 17.779 -3.836 -28.118 1.00 0.00 H new ATOM 0 HA ILE A 83 18.065 -0.859 -28.255 1.00 0.00 H new ATOM 0 HB ILE A 83 19.549 -2.666 -26.323 1.00 0.00 H new ATOM 0 HG12 ILE A 83 17.506 -1.557 -24.809 1.00 0.00 H new ATOM 0 HG13 ILE A 83 16.663 -1.961 -26.292 1.00 0.00 H new ATOM 0 HG21 ILE A 83 19.607 -0.552 -24.998 1.00 0.00 H new ATOM 0 HG22 ILE A 83 20.294 -0.309 -26.621 1.00 0.00 H new ATOM 0 HG23 ILE A 83 18.647 0.258 -26.259 1.00 0.00 H new ATOM 0 HD11 ILE A 83 16.652 -3.886 -24.724 1.00 0.00 H new ATOM 0 HD12 ILE A 83 17.575 -4.283 -26.193 1.00 0.00 H new ATOM 0 HD13 ILE A 83 18.431 -3.873 -24.688 1.00 0.00 H new ATOM 1311 N GLN A 84 20.409 -0.951 -29.265 1.00 0.00 N ATOM 1312 CA GLN A 84 21.697 -1.072 -30.002 1.00 0.00 C ATOM 1313 C GLN A 84 22.725 -0.159 -29.322 1.00 0.00 C ATOM 1314 O GLN A 84 22.419 0.981 -28.989 1.00 0.00 O ATOM 1315 CB GLN A 84 21.511 -0.649 -31.463 1.00 0.00 C ATOM 1316 CG GLN A 84 20.855 0.733 -31.522 1.00 0.00 C ATOM 1317 CD GLN A 84 20.841 1.233 -32.973 1.00 0.00 C ATOM 1318 OE1 GLN A 84 21.589 0.733 -33.809 1.00 0.00 O ATOM 1319 NE2 GLN A 84 20.027 2.198 -33.324 1.00 0.00 N ATOM 0 H GLN A 84 20.052 -0.000 -29.174 1.00 0.00 H new ATOM 0 HA GLN A 84 22.040 -2.106 -29.986 1.00 0.00 H new ATOM 0 HB2 GLN A 84 22.475 -0.626 -31.970 1.00 0.00 H new ATOM 0 HB3 GLN A 84 20.893 -1.378 -31.987 1.00 0.00 H new ATOM 0 HG2 GLN A 84 19.838 0.681 -31.135 1.00 0.00 H new ATOM 0 HG3 GLN A 84 21.401 1.434 -30.890 1.00 0.00 H new ATOM 0 HE21 GLN A 84 19.404 2.616 -32.633 1.00 0.00 H new ATOM 0 HE22 GLN A 84 20.016 2.531 -34.288 1.00 0.00 H new ATOM 1320 N TYR A 85 23.930 -0.634 -29.087 1.00 0.00 N ATOM 1321 CA TYR A 85 24.957 0.225 -28.396 1.00 0.00 C ATOM 1322 C TYR A 85 25.028 1.620 -29.043 1.00 0.00 C ATOM 1323 O TYR A 85 24.897 1.762 -30.258 1.00 0.00 O ATOM 1324 CB TYR A 85 26.338 -0.436 -28.477 1.00 0.00 C ATOM 1325 CG TYR A 85 26.341 -1.686 -27.631 1.00 0.00 C ATOM 1326 CD1 TYR A 85 26.290 -1.589 -26.234 1.00 0.00 C ATOM 1327 CD2 TYR A 85 26.396 -2.942 -28.244 1.00 0.00 C ATOM 1328 CE1 TYR A 85 26.296 -2.748 -25.452 1.00 0.00 C ATOM 1329 CE2 TYR A 85 26.401 -4.102 -27.463 1.00 0.00 C ATOM 1330 CZ TYR A 85 26.351 -4.007 -26.068 1.00 0.00 C ATOM 1331 OH TYR A 85 26.355 -5.153 -25.301 1.00 0.00 O ATOM 0 H TYR A 85 24.246 -1.570 -29.340 1.00 0.00 H new ATOM 0 HA TYR A 85 24.660 0.331 -27.353 1.00 0.00 H new ATOM 0 HB2 TYR A 85 26.576 -0.682 -29.512 1.00 0.00 H new ATOM 0 HB3 TYR A 85 27.106 0.255 -28.129 1.00 0.00 H new ATOM 0 HD1 TYR A 85 26.246 -0.619 -25.761 1.00 0.00 H new ATOM 0 HD2 TYR A 85 26.435 -3.016 -29.321 1.00 0.00 H new ATOM 0 HE1 TYR A 85 26.258 -2.674 -24.375 1.00 0.00 H new ATOM 0 HE2 TYR A 85 26.443 -5.072 -27.937 1.00 0.00 H new ATOM 0 HH TYR A 85 26.395 -5.938 -25.886 1.00 0.00 H new ATOM 1332 N ALA A 86 25.230 2.656 -28.253 1.00 0.00 N ATOM 1333 CA ALA A 86 25.303 4.035 -28.838 1.00 0.00 C ATOM 1334 C ALA A 86 26.507 4.123 -29.787 1.00 0.00 C ATOM 1335 O ALA A 86 27.157 3.120 -30.076 1.00 0.00 O ATOM 1336 CB ALA A 86 25.459 5.083 -27.724 1.00 0.00 C ATOM 0 H ALA A 86 25.346 2.605 -27.241 1.00 0.00 H new ATOM 0 HA ALA A 86 24.381 4.234 -29.385 1.00 0.00 H new ATOM 0 HB1 ALA A 86 25.510 6.078 -28.165 1.00 0.00 H new ATOM 0 HB2 ALA A 86 24.604 5.028 -27.051 1.00 0.00 H new ATOM 0 HB3 ALA A 86 26.374 4.886 -27.165 1.00 0.00 H new ATOM 1337 N LYS A 87 26.820 5.301 -30.285 1.00 0.00 N ATOM 1338 CA LYS A 87 27.981 5.432 -31.214 1.00 0.00 C ATOM 1339 C LYS A 87 29.220 5.898 -30.433 1.00 0.00 C ATOM 1340 O LYS A 87 30.317 5.377 -30.629 1.00 0.00 O ATOM 1341 CB LYS A 87 27.660 6.455 -32.310 1.00 0.00 C ATOM 1342 CG LYS A 87 26.289 6.151 -32.922 1.00 0.00 C ATOM 1343 CD LYS A 87 26.081 7.002 -34.180 1.00 0.00 C ATOM 1344 CE LYS A 87 26.069 8.486 -33.808 1.00 0.00 C ATOM 1345 NZ LYS A 87 27.416 9.073 -34.059 1.00 0.00 N ATOM 0 H LYS A 87 26.322 6.169 -30.087 1.00 0.00 H new ATOM 0 HA LYS A 87 28.180 4.462 -31.671 1.00 0.00 H new ATOM 0 HB2 LYS A 87 27.666 7.462 -31.893 1.00 0.00 H new ATOM 0 HB3 LYS A 87 28.428 6.425 -33.083 1.00 0.00 H new ATOM 0 HG2 LYS A 87 26.219 5.092 -33.172 1.00 0.00 H new ATOM 0 HG3 LYS A 87 25.503 6.360 -32.197 1.00 0.00 H new ATOM 0 HD2 LYS A 87 26.876 6.805 -34.899 1.00 0.00 H new ATOM 0 HD3 LYS A 87 25.141 6.731 -34.662 1.00 0.00 H new ATOM 0 HE2 LYS A 87 25.316 9.013 -34.395 1.00 0.00 H new ATOM 0 HE3 LYS A 87 25.798 8.607 -32.759 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 27.707 9.638 -33.236 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 28.104 8.309 -34.215 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 27.378 9.682 -34.901 1.00 0.00 H new ATOM 1346 N THR A 88 29.077 6.873 -29.560 1.00 0.00 N ATOM 1347 CA THR A 88 30.255 7.362 -28.791 1.00 0.00 C ATOM 1348 C THR A 88 30.023 7.144 -27.288 1.00 0.00 C ATOM 1349 O THR A 88 28.979 6.638 -26.879 1.00 0.00 O ATOM 1350 CB THR A 88 30.454 8.854 -29.066 1.00 0.00 C ATOM 1351 OG1 THR A 88 29.208 9.526 -28.944 1.00 0.00 O ATOM 1352 CG2 THR A 88 31.001 9.043 -30.480 1.00 0.00 C ATOM 0 H THR A 88 28.197 7.345 -29.353 1.00 0.00 H new ATOM 0 HA THR A 88 31.143 6.810 -29.100 1.00 0.00 H new ATOM 0 HB THR A 88 31.161 9.267 -28.347 1.00 0.00 H new ATOM 0 HG1 THR A 88 29.334 10.482 -29.118 1.00 0.00 H new ATOM 0 HG21 THR A 88 31.143 10.106 -30.676 1.00 0.00 H new ATOM 0 HG22 THR A 88 31.956 8.526 -30.573 1.00 0.00 H new ATOM 0 HG23 THR A 88 30.295 8.632 -31.201 1.00 0.00 H new ATOM 1353 N ASP A 89 30.971 7.517 -26.452 1.00 0.00 N ATOM 1354 CA ASP A 89 30.781 7.326 -24.981 1.00 0.00 C ATOM 1355 C ASP A 89 29.997 8.517 -24.410 1.00 0.00 C ATOM 1356 O ASP A 89 29.540 9.382 -25.154 1.00 0.00 O ATOM 1357 CB ASP A 89 32.142 7.232 -24.281 1.00 0.00 C ATOM 1358 CG ASP A 89 33.020 6.210 -25.006 1.00 0.00 C ATOM 1359 OD1 ASP A 89 32.573 5.087 -25.174 1.00 0.00 O ATOM 1360 OD2 ASP A 89 34.125 6.568 -25.381 1.00 0.00 O ATOM 0 H ASP A 89 31.858 7.941 -26.726 1.00 0.00 H new ATOM 0 HA ASP A 89 30.228 6.402 -24.811 1.00 0.00 H new ATOM 0 HB2 ASP A 89 32.629 8.207 -24.277 1.00 0.00 H new ATOM 0 HB3 ASP A 89 32.008 6.938 -23.240 1.00 0.00 H new ATOM 1361 N SER A 90 29.828 8.584 -23.106 1.00 0.00 N ATOM 1362 CA SER A 90 29.067 9.725 -22.512 1.00 0.00 C ATOM 1363 C SER A 90 30.047 10.780 -21.977 1.00 0.00 C ATOM 1364 O SER A 90 31.235 10.507 -21.801 1.00 0.00 O ATOM 1365 CB SER A 90 28.195 9.213 -21.364 1.00 0.00 C ATOM 1366 OG SER A 90 26.932 9.865 -21.409 1.00 0.00 O ATOM 0 H SER A 90 30.183 7.902 -22.436 1.00 0.00 H new ATOM 0 HA SER A 90 28.436 10.175 -23.279 1.00 0.00 H new ATOM 0 HB2 SER A 90 28.064 8.134 -21.445 1.00 0.00 H new ATOM 0 HB3 SER A 90 28.682 9.404 -20.408 1.00 0.00 H new ATOM 0 HG SER A 90 26.967 10.684 -20.871 1.00 0.00 H new ATOM 1367 N ASP A 91 29.581 11.981 -21.709 1.00 0.00 N ATOM 1368 CA ASP A 91 30.498 13.038 -21.183 1.00 0.00 C ATOM 1369 C ASP A 91 30.725 12.833 -19.677 1.00 0.00 C ATOM 1370 O ASP A 91 31.815 13.092 -19.170 1.00 0.00 O ATOM 1371 CB ASP A 91 29.896 14.430 -21.423 1.00 0.00 C ATOM 1372 CG ASP A 91 30.876 15.502 -20.942 1.00 0.00 C ATOM 1373 OD1 ASP A 91 31.707 15.916 -21.734 1.00 0.00 O ATOM 1374 OD2 ASP A 91 30.779 15.891 -19.789 1.00 0.00 O ATOM 0 H ASP A 91 28.611 12.270 -21.832 1.00 0.00 H new ATOM 0 HA ASP A 91 31.451 12.965 -21.707 1.00 0.00 H new ATOM 0 HB2 ASP A 91 29.682 14.567 -22.483 1.00 0.00 H new ATOM 0 HB3 ASP A 91 28.949 14.524 -20.892 1.00 0.00 H new ATOM 1375 N ILE A 92 29.729 12.380 -18.940 1.00 0.00 N ATOM 1376 CA ILE A 92 29.935 12.175 -17.472 1.00 0.00 C ATOM 1377 C ILE A 92 31.157 11.262 -17.222 1.00 0.00 C ATOM 1378 O ILE A 92 31.812 11.379 -16.190 1.00 0.00 O ATOM 1379 CB ILE A 92 28.682 11.559 -16.823 1.00 0.00 C ATOM 1380 CG1 ILE A 92 28.213 10.329 -17.615 1.00 0.00 C ATOM 1381 CG2 ILE A 92 27.563 12.603 -16.793 1.00 0.00 C ATOM 1382 CD1 ILE A 92 27.803 9.218 -16.646 1.00 0.00 C ATOM 0 H ILE A 92 28.799 12.148 -19.289 1.00 0.00 H new ATOM 0 HA ILE A 92 30.119 13.149 -17.018 1.00 0.00 H new ATOM 0 HB ILE A 92 28.928 11.248 -15.808 1.00 0.00 H new ATOM 0 HG12 ILE A 92 27.372 10.595 -18.255 1.00 0.00 H new ATOM 0 HG13 ILE A 92 29.012 9.979 -18.268 1.00 0.00 H new ATOM 0 HG21 ILE A 92 26.674 12.170 -16.334 1.00 0.00 H new ATOM 0 HG22 ILE A 92 27.887 13.467 -16.213 1.00 0.00 H new ATOM 0 HG23 ILE A 92 27.330 12.916 -17.811 1.00 0.00 H new ATOM 0 HD11 ILE A 92 27.471 8.347 -17.211 1.00 0.00 H new ATOM 0 HD12 ILE A 92 28.656 8.944 -16.025 1.00 0.00 H new ATOM 0 HD13 ILE A 92 26.990 9.571 -16.011 1.00 0.00 H new ATOM 1383 N ILE A 93 31.501 10.371 -18.137 1.00 0.00 N ATOM 1384 CA ILE A 93 32.699 9.497 -17.907 1.00 0.00 C ATOM 1385 C ILE A 93 33.966 10.326 -18.186 1.00 0.00 C ATOM 1386 O ILE A 93 34.957 10.201 -17.476 1.00 0.00 O ATOM 1387 CB ILE A 93 32.643 8.248 -18.827 1.00 0.00 C ATOM 1388 CG1 ILE A 93 31.650 7.231 -18.252 1.00 0.00 C ATOM 1389 CG2 ILE A 93 34.021 7.572 -18.917 1.00 0.00 C ATOM 1390 CD1 ILE A 93 30.251 7.838 -18.201 1.00 0.00 C ATOM 0 H ILE A 93 31.010 10.217 -19.017 1.00 0.00 H new ATOM 0 HA ILE A 93 32.712 9.145 -16.875 1.00 0.00 H new ATOM 0 HB ILE A 93 32.332 8.574 -19.820 1.00 0.00 H new ATOM 0 HG12 ILE A 93 31.642 6.331 -18.866 1.00 0.00 H new ATOM 0 HG13 ILE A 93 31.962 6.932 -17.251 1.00 0.00 H new ATOM 0 HG21 ILE A 93 33.956 6.699 -19.567 1.00 0.00 H new ATOM 0 HG22 ILE A 93 34.746 8.276 -19.326 1.00 0.00 H new ATOM 0 HG23 ILE A 93 34.339 7.260 -17.922 1.00 0.00 H new ATOM 0 HD11 ILE A 93 29.553 7.108 -17.791 1.00 0.00 H new ATOM 0 HD12 ILE A 93 30.262 8.725 -17.568 1.00 0.00 H new ATOM 0 HD13 ILE A 93 29.938 8.115 -19.208 1.00 0.00 H new