USER MOD reduce.3.24.130724 H: found=0, std=0, add=736, rem=0, adj=20 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 -27:sc= 1.15 USER MOD Set 1.2: A 85 TYR OH : rot -34:sc= -3.97! USER MOD Set 2.1: A 14 ASN : amide:sc= -0.0634 K(o=-1.4,f=-3.3) USER MOD Set 2.2: A 84 GLN : amide:sc= -1.36 X(o=-1.4,f=-1.7!) USER MOD Set 3.1: A 28 SER OG : rot 157:sc= 1.21 USER MOD Set 3.2: A 77 TYR OH : rot -130:sc= -2! USER MOD Set 4.1: A 12 TYR OH : rot 9:sc= 0.978 USER MOD Set 4.2: A 53 GLN : amide:sc= -0.972 K(o=0.0064,f=-7.1!) USER MOD Single : A 8 ASN : amide:sc= -1.03 X(o=-1,f=-1.5!) USER MOD Single : A 9 HIS : no HD1:sc= -6.78! C(o=-6.8!,f=-9.3!) USER MOD Single : A 10 THR OG1 : rot -23:sc= 0.0611 USER MOD Single : A 15 ASN :FLIP amide:sc= 0.309 F(o=-1.2,f=0.31) USER MOD Single : A 17 ASN : amide:sc= -3.09 K(o=-3.1,f=-7.7!) 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+ -173:sc= 0 (180deg=-0.062) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 HIS : no HD1:sc= -0.242 X(o=-0.24,f=-0.67) 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 123:sc=0.000806 USER MOD Single : A 47 SER OG : rot 180:sc= 0.0636 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 59 LYS NZ :NH3+ -117:sc= -0.038 (180deg=-0.305) USER MOD Single : A 62 SER OG : rot 180:sc= -0.0442 USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 66 ASN :FLIP amide:sc= 0.403 F(o=-0.8,f=0.4) USER MOD Single : A 70 SER OG : rot -147:sc= -0.385! USER MOD Single : A 71 MET CE :methyl -176:sc= 0 (180deg=-0.0142) 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 180:sc= 0 (180deg=0) USER MOD Single : A 87 LYS NZ :NH3+ -160:sc= -0.029 (180deg=-0.385) USER MOD Single : A 88 THR OG1 : rot 180:sc= 0.0126 USER MOD Single : A 90 SER OG : rot -70:sc= -4.3! USER MOD ----------------------------------------------------------------- ATOM 682 N PRO A 7 30.723 -2.140 -27.504 1.00 0.00 N ATOM 683 CA PRO A 7 30.277 -1.476 -26.266 1.00 0.00 C ATOM 684 C PRO A 7 30.968 -0.111 -26.119 1.00 0.00 C ATOM 685 O PRO A 7 32.177 0.005 -26.314 1.00 0.00 O ATOM 686 CB PRO A 7 30.718 -2.436 -25.157 1.00 0.00 C ATOM 687 CG PRO A 7 31.862 -3.291 -25.747 1.00 0.00 C ATOM 688 CD PRO A 7 31.724 -3.216 -27.278 1.00 0.00 C ATOM 0 HA PRO A 7 29.205 -1.281 -26.245 1.00 0.00 H new ATOM 0 HB2 PRO A 7 31.058 -1.886 -24.280 1.00 0.00 H new ATOM 0 HB3 PRO A 7 29.888 -3.066 -24.836 1.00 0.00 H new ATOM 0 HG2 PRO A 7 32.833 -2.913 -25.427 1.00 0.00 H new ATOM 0 HG3 PRO A 7 31.792 -4.323 -25.402 1.00 0.00 H new ATOM 0 HD2 PRO A 7 32.676 -2.979 -27.752 1.00 0.00 H new ATOM 0 HD3 PRO A 7 31.388 -4.166 -27.694 1.00 0.00 H new ATOM 689 N ASN A 8 30.231 0.927 -25.787 1.00 0.00 N ATOM 690 CA ASN A 8 30.864 2.269 -25.641 1.00 0.00 C ATOM 691 C ASN A 8 30.492 2.872 -24.278 1.00 0.00 C ATOM 692 O ASN A 8 30.226 4.066 -24.174 1.00 0.00 O ATOM 693 CB ASN A 8 30.366 3.188 -26.758 1.00 0.00 C ATOM 694 CG ASN A 8 30.867 2.667 -28.111 1.00 0.00 C ATOM 695 OD1 ASN A 8 30.161 1.923 -28.787 1.00 0.00 O ATOM 696 ND2 ASN A 8 32.052 3.016 -28.549 1.00 0.00 N ATOM 0 H ASN A 8 29.226 0.898 -25.613 1.00 0.00 H new ATOM 0 HA ASN A 8 31.947 2.167 -25.706 1.00 0.00 H new ATOM 0 HB2 ASN A 8 29.277 3.228 -26.752 1.00 0.00 H new ATOM 0 HB3 ASN A 8 30.723 4.205 -26.593 1.00 0.00 H new ATOM 0 HD21 ASN A 8 32.385 2.670 -29.449 1.00 0.00 H new ATOM 0 HD22 ASN A 8 32.641 3.634 -27.990 1.00 0.00 H new ATOM 697 N HIS A 9 30.472 2.080 -23.227 1.00 0.00 N ATOM 698 CA HIS A 9 30.122 2.634 -21.883 1.00 0.00 C ATOM 699 C HIS A 9 28.712 3.268 -21.891 1.00 0.00 C ATOM 700 O HIS A 9 28.415 4.115 -21.053 1.00 0.00 O ATOM 701 CB HIS A 9 31.148 3.708 -21.507 1.00 0.00 C ATOM 702 CG HIS A 9 31.327 3.743 -20.015 1.00 0.00 C ATOM 703 ND1 HIS A 9 32.527 3.411 -19.407 1.00 0.00 N ATOM 704 CD2 HIS A 9 30.466 4.063 -18.996 1.00 0.00 C ATOM 705 CE1 HIS A 9 32.354 3.534 -18.079 1.00 0.00 C ATOM 706 NE2 HIS A 9 31.117 3.929 -17.774 1.00 0.00 N ATOM 0 H HIS A 9 30.682 1.082 -23.245 1.00 0.00 H new ATOM 0 HA HIS A 9 30.131 1.820 -21.159 1.00 0.00 H new ATOM 0 HB2 HIS A 9 32.101 3.498 -21.992 1.00 0.00 H new ATOM 0 HB3 HIS A 9 30.816 4.682 -21.865 1.00 0.00 H new ATOM 0 HD2 HIS A 9 29.439 4.372 -19.123 1.00 0.00 H new ATOM 0 HE1 HIS A 9 33.124 3.337 -17.348 1.00 0.00 H new ATOM 0 HE2 HIS A 9 30.731 4.097 -16.845 1.00 0.00 H new ATOM 707 N THR A 10 27.831 2.885 -22.800 1.00 0.00 N ATOM 708 CA THR A 10 26.459 3.498 -22.811 1.00 0.00 C ATOM 709 C THR A 10 25.539 2.721 -23.768 1.00 0.00 C ATOM 710 O THR A 10 25.973 2.278 -24.828 1.00 0.00 O ATOM 711 CB THR A 10 26.548 4.953 -23.295 1.00 0.00 C ATOM 712 OG1 THR A 10 27.469 5.677 -22.488 1.00 0.00 O ATOM 713 CG2 THR A 10 25.169 5.615 -23.205 1.00 0.00 C ATOM 0 H THR A 10 28.003 2.185 -23.522 1.00 0.00 H new ATOM 0 HA THR A 10 26.054 3.461 -21.800 1.00 0.00 H new ATOM 0 HB THR A 10 26.889 4.960 -24.330 1.00 0.00 H new ATOM 0 HG1 THR A 10 27.562 5.233 -21.619 1.00 0.00 H new ATOM 0 HG21 THR A 10 25.238 6.647 -23.549 1.00 0.00 H new ATOM 0 HG22 THR A 10 24.462 5.070 -23.831 1.00 0.00 H new ATOM 0 HG23 THR A 10 24.825 5.600 -22.171 1.00 0.00 H new ATOM 714 N ILE A 11 24.274 2.560 -23.434 1.00 0.00 N ATOM 715 CA ILE A 11 23.356 1.833 -24.357 1.00 0.00 C ATOM 716 C ILE A 11 22.379 2.840 -24.983 1.00 0.00 C ATOM 717 O ILE A 11 22.248 3.969 -24.508 1.00 0.00 O ATOM 718 CB ILE A 11 22.581 0.747 -23.601 1.00 0.00 C ATOM 719 CG1 ILE A 11 21.756 1.375 -22.475 1.00 0.00 C ATOM 720 CG2 ILE A 11 23.566 -0.258 -23.005 1.00 0.00 C ATOM 721 CD1 ILE A 11 20.445 0.604 -22.311 1.00 0.00 C ATOM 0 H ILE A 11 23.849 2.899 -22.571 1.00 0.00 H new ATOM 0 HA ILE A 11 23.940 1.350 -25.140 1.00 0.00 H new ATOM 0 HB ILE A 11 21.910 0.241 -24.296 1.00 0.00 H new ATOM 0 HG12 ILE A 11 22.320 1.356 -21.543 1.00 0.00 H new ATOM 0 HG13 ILE A 11 21.549 2.421 -22.701 1.00 0.00 H new ATOM 0 HG21 ILE A 11 23.017 -1.031 -22.467 1.00 0.00 H new ATOM 0 HG22 ILE A 11 24.147 -0.716 -23.805 1.00 0.00 H new ATOM 0 HG23 ILE A 11 24.238 0.255 -22.317 1.00 0.00 H new ATOM 0 HD11 ILE A 11 19.858 1.051 -21.509 1.00 0.00 H new ATOM 0 HD12 ILE A 11 19.879 0.646 -23.242 1.00 0.00 H new ATOM 0 HD13 ILE A 11 20.662 -0.435 -22.065 1.00 0.00 H new ATOM 722 N TYR A 12 21.698 2.466 -26.044 1.00 0.00 N ATOM 723 CA TYR A 12 20.751 3.413 -26.697 1.00 0.00 C ATOM 724 C TYR A 12 19.466 2.658 -27.085 1.00 0.00 C ATOM 725 O TYR A 12 19.520 1.606 -27.718 1.00 0.00 O ATOM 726 CB TYR A 12 21.439 3.998 -27.946 1.00 0.00 C ATOM 727 CG TYR A 12 20.443 4.706 -28.839 1.00 0.00 C ATOM 728 CD1 TYR A 12 19.900 5.937 -28.453 1.00 0.00 C ATOM 729 CD2 TYR A 12 20.065 4.125 -30.053 1.00 0.00 C ATOM 730 CE1 TYR A 12 18.979 6.587 -29.285 1.00 0.00 C ATOM 731 CE2 TYR A 12 19.146 4.771 -30.885 1.00 0.00 C ATOM 732 CZ TYR A 12 18.600 6.003 -30.501 1.00 0.00 C ATOM 733 OH TYR A 12 17.688 6.643 -31.320 1.00 0.00 O ATOM 0 H TYR A 12 21.761 1.546 -26.481 1.00 0.00 H new ATOM 0 HA TYR A 12 20.482 4.223 -26.019 1.00 0.00 H new ATOM 0 HB2 TYR A 12 22.219 4.696 -27.641 1.00 0.00 H new ATOM 0 HB3 TYR A 12 21.927 3.199 -28.503 1.00 0.00 H new ATOM 0 HD1 TYR A 12 20.191 6.385 -27.515 1.00 0.00 H new ATOM 0 HD2 TYR A 12 20.484 3.175 -30.349 1.00 0.00 H new ATOM 0 HE1 TYR A 12 18.561 7.538 -28.989 1.00 0.00 H new ATOM 0 HE2 TYR A 12 18.857 4.321 -31.823 1.00 0.00 H new ATOM 0 HH TYR A 12 17.524 7.548 -30.982 1.00 0.00 H new ATOM 734 N ILE A 13 18.310 3.174 -26.724 1.00 0.00 N ATOM 735 CA ILE A 13 17.040 2.480 -27.083 1.00 0.00 C ATOM 736 C ILE A 13 16.173 3.418 -27.935 1.00 0.00 C ATOM 737 O ILE A 13 16.075 4.611 -27.652 1.00 0.00 O ATOM 738 CB ILE A 13 16.282 2.108 -25.805 1.00 0.00 C ATOM 739 CG1 ILE A 13 17.208 1.318 -24.863 1.00 0.00 C ATOM 740 CG2 ILE A 13 15.063 1.254 -26.168 1.00 0.00 C ATOM 741 CD1 ILE A 13 17.154 1.925 -23.458 1.00 0.00 C ATOM 0 H ILE A 13 18.198 4.041 -26.199 1.00 0.00 H new ATOM 0 HA ILE A 13 17.266 1.575 -27.648 1.00 0.00 H new ATOM 0 HB ILE A 13 15.952 3.016 -25.301 1.00 0.00 H new ATOM 0 HG12 ILE A 13 16.903 0.272 -24.830 1.00 0.00 H new ATOM 0 HG13 ILE A 13 18.231 1.340 -25.240 1.00 0.00 H new ATOM 0 HG21 ILE A 13 14.522 0.988 -25.260 1.00 0.00 H new ATOM 0 HG22 ILE A 13 14.406 1.820 -26.829 1.00 0.00 H new ATOM 0 HG23 ILE A 13 15.392 0.346 -26.673 1.00 0.00 H new ATOM 0 HD11 ILE A 13 17.811 1.363 -22.794 1.00 0.00 H new ATOM 0 HD12 ILE A 13 17.481 2.964 -23.498 1.00 0.00 H new ATOM 0 HD13 ILE A 13 16.132 1.880 -23.081 1.00 0.00 H new ATOM 742 N ASN A 14 15.538 2.912 -28.972 1.00 0.00 N ATOM 743 CA ASN A 14 14.686 3.795 -29.822 1.00 0.00 C ATOM 744 C ASN A 14 13.313 3.133 -30.033 1.00 0.00 C ATOM 745 O ASN A 14 13.008 2.110 -29.420 1.00 0.00 O ATOM 746 CB ASN A 14 15.380 4.030 -31.174 1.00 0.00 C ATOM 747 CG ASN A 14 15.455 2.716 -31.971 1.00 0.00 C ATOM 748 OD1 ASN A 14 16.085 1.757 -31.532 1.00 0.00 O ATOM 749 ND2 ASN A 14 14.843 2.619 -33.127 1.00 0.00 N ATOM 0 H ASN A 14 15.576 1.934 -29.260 1.00 0.00 H new ATOM 0 HA ASN A 14 14.542 4.756 -29.328 1.00 0.00 H new ATOM 0 HB2 ASN A 14 14.833 4.779 -31.746 1.00 0.00 H new ATOM 0 HB3 ASN A 14 16.384 4.423 -31.012 1.00 0.00 H new ATOM 0 HD21 ASN A 14 14.891 1.750 -33.658 1.00 0.00 H new ATOM 0 HD22 ASN A 14 14.319 3.413 -33.495 1.00 0.00 H new ATOM 750 N ASN A 15 12.473 3.689 -30.882 1.00 0.00 N ATOM 751 CA ASN A 15 11.131 3.078 -31.113 1.00 0.00 C ATOM 752 C ASN A 15 10.331 3.085 -29.803 1.00 0.00 C ATOM 753 O ASN A 15 9.686 2.097 -29.455 1.00 0.00 O ATOM 754 CB ASN A 15 11.298 1.637 -31.604 1.00 0.00 C ATOM 755 CG ASN A 15 9.989 1.159 -32.249 1.00 0.00 C ATOM 756 OD1 ASN A 15 9.988 0.737 -33.490 1.00 0.00 O flip ATOM 757 ND2 ASN A 15 8.942 1.169 -31.607 1.00 0.00 N flip ATOM 0 H ASN A 15 12.663 4.535 -31.419 1.00 0.00 H new ATOM 0 HA ASN A 15 10.597 3.656 -31.867 1.00 0.00 H new ATOM 0 HB2 ASN A 15 12.113 1.580 -32.325 1.00 0.00 H new ATOM 0 HB3 ASN A 15 11.564 0.986 -30.771 1.00 0.00 H new ATOM 0 HD21 ASN A 15 8.939 1.497 -30.641 1.00 0.00 H new ATOM 0 HD22 ASN A 15 8.075 0.850 -32.040 1.00 0.00 H new ATOM 758 N LEU A 16 10.353 4.175 -29.065 1.00 0.00 N ATOM 759 CA LEU A 16 9.584 4.223 -27.785 1.00 0.00 C ATOM 760 C LEU A 16 8.198 4.833 -28.047 1.00 0.00 C ATOM 761 O LEU A 16 7.871 5.185 -29.179 1.00 0.00 O ATOM 762 CB LEU A 16 10.337 5.081 -26.763 1.00 0.00 C ATOM 763 CG LEU A 16 11.348 4.213 -26.012 1.00 0.00 C ATOM 764 CD1 LEU A 16 12.490 3.828 -26.955 1.00 0.00 C ATOM 765 CD2 LEU A 16 11.912 4.998 -24.825 1.00 0.00 C ATOM 0 H LEU A 16 10.868 5.025 -29.296 1.00 0.00 H new ATOM 0 HA LEU A 16 9.470 3.213 -27.392 1.00 0.00 H new ATOM 0 HB2 LEU A 16 10.849 5.900 -27.268 1.00 0.00 H new ATOM 0 HB3 LEU A 16 9.634 5.529 -26.061 1.00 0.00 H new ATOM 0 HG LEU A 16 10.854 3.311 -25.651 1.00 0.00 H new ATOM 0 HD11 LEU A 16 13.211 3.209 -26.420 1.00 0.00 H new ATOM 0 HD12 LEU A 16 12.090 3.270 -27.802 1.00 0.00 H new ATOM 0 HD13 LEU A 16 12.984 4.730 -27.316 1.00 0.00 H new ATOM 0 HD21 LEU A 16 12.633 4.380 -24.289 1.00 0.00 H new ATOM 0 HD22 LEU A 16 12.406 5.900 -25.187 1.00 0.00 H new ATOM 0 HD23 LEU A 16 11.100 5.274 -24.152 1.00 0.00 H new ATOM 766 N ASN A 17 7.375 4.971 -27.029 1.00 0.00 N ATOM 767 CA ASN A 17 6.021 5.565 -27.243 1.00 0.00 C ATOM 768 C ASN A 17 6.110 7.085 -27.074 1.00 0.00 C ATOM 769 O ASN A 17 6.932 7.587 -26.309 1.00 0.00 O ATOM 770 CB ASN A 17 5.031 4.995 -26.221 1.00 0.00 C ATOM 771 CG ASN A 17 4.246 3.833 -26.848 1.00 0.00 C ATOM 772 OD1 ASN A 17 4.269 3.650 -28.063 1.00 0.00 O ATOM 773 ND2 ASN A 17 3.545 3.031 -26.083 1.00 0.00 N ATOM 0 H ASN A 17 7.584 4.699 -26.069 1.00 0.00 H new ATOM 0 HA ASN A 17 5.673 5.322 -28.247 1.00 0.00 H new ATOM 0 HB2 ASN A 17 5.566 4.649 -25.337 1.00 0.00 H new ATOM 0 HB3 ASN A 17 4.344 5.775 -25.893 1.00 0.00 H new ATOM 0 HD21 ASN A 17 3.022 2.259 -26.497 1.00 0.00 H new ATOM 0 HD22 ASN A 17 3.523 3.179 -25.074 1.00 0.00 H new ATOM 774 N GLU A 18 5.289 7.834 -27.775 1.00 0.00 N ATOM 775 CA GLU A 18 5.346 9.318 -27.647 1.00 0.00 C ATOM 776 C GLU A 18 4.213 9.805 -26.733 1.00 0.00 C ATOM 777 O GLU A 18 3.547 10.795 -27.032 1.00 0.00 O ATOM 778 CB GLU A 18 5.196 9.949 -29.031 1.00 0.00 C ATOM 779 CG GLU A 18 6.377 9.536 -29.916 1.00 0.00 C ATOM 780 CD GLU A 18 5.941 8.415 -30.861 1.00 0.00 C ATOM 781 OE1 GLU A 18 5.424 8.728 -31.921 1.00 0.00 O ATOM 782 OE2 GLU A 18 6.132 7.263 -30.509 1.00 0.00 O ATOM 0 H GLU A 18 4.588 7.480 -28.425 1.00 0.00 H new ATOM 0 HA GLU A 18 6.303 9.609 -27.214 1.00 0.00 H new ATOM 0 HB2 GLU A 18 4.258 9.631 -29.487 1.00 0.00 H new ATOM 0 HB3 GLU A 18 5.156 11.035 -28.944 1.00 0.00 H new ATOM 0 HG2 GLU A 18 6.732 10.392 -30.490 1.00 0.00 H new ATOM 0 HG3 GLU A 18 7.209 9.201 -29.297 1.00 0.00 H new ATOM 783 N LYS A 19 3.981 9.143 -25.619 1.00 0.00 N ATOM 784 CA LYS A 19 2.897 9.591 -24.701 1.00 0.00 C ATOM 785 C LYS A 19 3.339 9.420 -23.233 1.00 0.00 C ATOM 786 O LYS A 19 2.510 9.184 -22.356 1.00 0.00 O ATOM 787 CB LYS A 19 1.641 8.754 -24.957 1.00 0.00 C ATOM 788 CG LYS A 19 1.959 7.271 -24.753 1.00 0.00 C ATOM 789 CD LYS A 19 0.759 6.428 -25.188 1.00 0.00 C ATOM 790 CE LYS A 19 0.582 6.535 -26.703 1.00 0.00 C ATOM 791 NZ LYS A 19 -0.015 5.273 -27.223 1.00 0.00 N ATOM 0 H LYS A 19 4.496 8.317 -25.314 1.00 0.00 H new ATOM 0 HA LYS A 19 2.684 10.644 -24.886 1.00 0.00 H new ATOM 0 HB2 LYS A 19 0.843 9.061 -24.281 1.00 0.00 H new ATOM 0 HB3 LYS A 19 1.281 8.922 -25.972 1.00 0.00 H new ATOM 0 HG2 LYS A 19 2.840 6.994 -25.331 1.00 0.00 H new ATOM 0 HG3 LYS A 19 2.192 7.079 -23.706 1.00 0.00 H new ATOM 0 HD2 LYS A 19 0.909 5.387 -24.902 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -0.143 6.771 -24.681 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -0.061 7.381 -26.946 1.00 0.00 H new ATOM 0 HE3 LYS A 19 1.545 6.718 -27.180 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -0.136 5.345 -28.253 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 0.614 4.475 -27.003 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -0.941 5.117 -26.776 1.00 0.00 H new ATOM 792 N ILE A 20 4.620 9.529 -22.941 1.00 0.00 N ATOM 793 CA ILE A 20 5.083 9.367 -21.533 1.00 0.00 C ATOM 794 C ILE A 20 5.772 10.655 -21.088 1.00 0.00 C ATOM 795 O ILE A 20 6.278 11.414 -21.915 1.00 0.00 O ATOM 796 CB ILE A 20 6.085 8.204 -21.421 1.00 0.00 C ATOM 797 CG1 ILE A 20 5.659 7.043 -22.345 1.00 0.00 C ATOM 798 CG2 ILE A 20 6.148 7.720 -19.961 1.00 0.00 C ATOM 799 CD1 ILE A 20 6.637 6.938 -23.520 1.00 0.00 C ATOM 0 H ILE A 20 5.356 9.723 -23.620 1.00 0.00 H new ATOM 0 HA ILE A 20 4.221 9.153 -20.901 1.00 0.00 H new ATOM 0 HB ILE A 20 7.071 8.550 -21.730 1.00 0.00 H new ATOM 0 HG12 ILE A 20 5.643 6.107 -21.787 1.00 0.00 H new ATOM 0 HG13 ILE A 20 4.647 7.211 -22.714 1.00 0.00 H new ATOM 0 HG21 ILE A 20 6.857 6.896 -19.881 1.00 0.00 H new ATOM 0 HG22 ILE A 20 6.470 8.540 -19.319 1.00 0.00 H new ATOM 0 HG23 ILE A 20 5.161 7.380 -19.647 1.00 0.00 H new ATOM 0 HD11 ILE A 20 6.336 6.118 -24.172 1.00 0.00 H new ATOM 0 HD12 ILE A 20 6.630 7.871 -24.083 1.00 0.00 H new ATOM 0 HD13 ILE A 20 7.642 6.750 -23.141 1.00 0.00 H new ATOM 800 N LYS A 21 5.808 10.926 -19.806 1.00 0.00 N ATOM 801 CA LYS A 21 6.472 12.173 -19.340 1.00 0.00 C ATOM 802 C LYS A 21 7.952 11.890 -19.042 1.00 0.00 C ATOM 803 O LYS A 21 8.458 10.811 -19.340 1.00 0.00 O ATOM 804 CB LYS A 21 5.772 12.698 -18.076 1.00 0.00 C ATOM 805 CG LYS A 21 5.112 14.050 -18.367 1.00 0.00 C ATOM 806 CD LYS A 21 3.812 13.827 -19.142 1.00 0.00 C ATOM 807 CE LYS A 21 3.534 15.040 -20.032 1.00 0.00 C ATOM 808 NZ LYS A 21 2.853 14.594 -21.280 1.00 0.00 N ATOM 0 H LYS A 21 5.409 10.341 -19.072 1.00 0.00 H new ATOM 0 HA LYS A 21 6.403 12.930 -20.121 1.00 0.00 H new ATOM 0 HB2 LYS A 21 5.021 11.982 -17.742 1.00 0.00 H new ATOM 0 HB3 LYS A 21 6.495 12.803 -17.267 1.00 0.00 H new ATOM 0 HG2 LYS A 21 4.906 14.574 -17.434 1.00 0.00 H new ATOM 0 HG3 LYS A 21 5.789 14.680 -18.944 1.00 0.00 H new ATOM 0 HD2 LYS A 21 3.889 12.926 -19.751 1.00 0.00 H new ATOM 0 HD3 LYS A 21 2.985 13.674 -18.449 1.00 0.00 H new ATOM 0 HE2 LYS A 21 2.910 15.759 -19.501 1.00 0.00 H new ATOM 0 HE3 LYS A 21 4.467 15.547 -20.276 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 2.664 15.418 -21.886 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 3.464 13.924 -21.789 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 1.955 14.129 -21.038 1.00 0.00 H new ATOM 809 N LYS A 22 8.659 12.836 -18.463 1.00 0.00 N ATOM 810 CA LYS A 22 10.107 12.602 -18.156 1.00 0.00 C ATOM 811 C LYS A 22 10.240 11.812 -16.850 1.00 0.00 C ATOM 812 O LYS A 22 11.105 10.948 -16.728 1.00 0.00 O ATOM 813 CB LYS A 22 10.833 13.942 -18.005 1.00 0.00 C ATOM 814 CG LYS A 22 10.635 14.779 -19.271 1.00 0.00 C ATOM 815 CD LYS A 22 11.792 14.524 -20.241 1.00 0.00 C ATOM 816 CE LYS A 22 12.854 15.612 -20.070 1.00 0.00 C ATOM 817 NZ LYS A 22 12.577 16.728 -21.018 1.00 0.00 N ATOM 0 H LYS A 22 8.299 13.751 -18.193 1.00 0.00 H new ATOM 0 HA LYS A 22 10.552 12.036 -18.975 1.00 0.00 H new ATOM 0 HB2 LYS A 22 10.449 14.479 -17.138 1.00 0.00 H new ATOM 0 HB3 LYS A 22 11.896 13.774 -17.831 1.00 0.00 H new ATOM 0 HG2 LYS A 22 9.687 14.523 -19.744 1.00 0.00 H new ATOM 0 HG3 LYS A 22 10.588 15.838 -19.016 1.00 0.00 H new ATOM 0 HD2 LYS A 22 12.228 13.543 -20.053 1.00 0.00 H new ATOM 0 HD3 LYS A 22 11.425 14.518 -21.267 1.00 0.00 H new ATOM 0 HE2 LYS A 22 12.850 15.982 -19.045 1.00 0.00 H new ATOM 0 HE3 LYS A 22 13.846 15.200 -20.256 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 13.298 17.468 -20.903 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 12.602 16.369 -21.994 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 11.637 17.127 -20.820 1.00 0.00 H new ATOM 818 N ASP A 23 9.396 12.069 -15.877 1.00 0.00 N ATOM 819 CA ASP A 23 9.486 11.302 -14.600 1.00 0.00 C ATOM 820 C ASP A 23 9.109 9.841 -14.874 1.00 0.00 C ATOM 821 O ASP A 23 9.590 8.937 -14.193 1.00 0.00 O ATOM 822 CB ASP A 23 8.530 11.886 -13.550 1.00 0.00 C ATOM 823 CG ASP A 23 8.799 11.229 -12.195 1.00 0.00 C ATOM 824 OD1 ASP A 23 9.807 11.555 -11.590 1.00 0.00 O ATOM 825 OD2 ASP A 23 7.992 10.410 -11.785 1.00 0.00 O ATOM 0 H ASP A 23 8.657 12.771 -15.914 1.00 0.00 H new ATOM 0 HA ASP A 23 10.504 11.366 -14.216 1.00 0.00 H new ATOM 0 HB2 ASP A 23 8.668 12.965 -13.477 1.00 0.00 H new ATOM 0 HB3 ASP A 23 7.496 11.716 -13.850 1.00 0.00 H new ATOM 826 N GLU A 24 8.260 9.577 -15.853 1.00 0.00 N ATOM 827 CA GLU A 24 7.887 8.162 -16.131 1.00 0.00 C ATOM 828 C GLU A 24 9.066 7.447 -16.814 1.00 0.00 C ATOM 829 O GLU A 24 9.526 6.407 -16.348 1.00 0.00 O ATOM 830 CB GLU A 24 6.652 8.099 -17.040 1.00 0.00 C ATOM 831 CG GLU A 24 5.387 8.282 -16.198 1.00 0.00 C ATOM 832 CD GLU A 24 4.166 8.338 -17.117 1.00 0.00 C ATOM 833 OE1 GLU A 24 3.730 7.286 -17.556 1.00 0.00 O ATOM 834 OE2 GLU A 24 3.688 9.432 -17.368 1.00 0.00 O ATOM 0 H GLU A 24 7.822 10.274 -16.455 1.00 0.00 H new ATOM 0 HA GLU A 24 7.652 7.669 -15.188 1.00 0.00 H new ATOM 0 HB2 GLU A 24 6.709 8.875 -17.803 1.00 0.00 H new ATOM 0 HB3 GLU A 24 6.619 7.142 -17.561 1.00 0.00 H new ATOM 0 HG2 GLU A 24 5.286 7.459 -15.491 1.00 0.00 H new ATOM 0 HG3 GLU A 24 5.457 9.199 -15.612 1.00 0.00 H new ATOM 835 N LEU A 25 9.566 7.976 -17.912 1.00 0.00 N ATOM 836 CA LEU A 25 10.721 7.305 -18.610 1.00 0.00 C ATOM 837 C LEU A 25 11.913 7.100 -17.653 1.00 0.00 C ATOM 838 O LEU A 25 12.732 6.212 -17.877 1.00 0.00 O ATOM 839 CB LEU A 25 11.186 8.150 -19.818 1.00 0.00 C ATOM 840 CG LEU A 25 10.966 7.384 -21.133 1.00 0.00 C ATOM 841 CD1 LEU A 25 11.745 6.061 -21.117 1.00 0.00 C ATOM 842 CD2 LEU A 25 9.472 7.101 -21.320 1.00 0.00 C ATOM 0 H LEU A 25 9.230 8.833 -18.352 1.00 0.00 H new ATOM 0 HA LEU A 25 10.372 6.331 -18.953 1.00 0.00 H new ATOM 0 HB2 LEU A 25 10.637 9.091 -19.843 1.00 0.00 H new ATOM 0 HB3 LEU A 25 12.241 8.400 -19.709 1.00 0.00 H new ATOM 0 HG LEU A 25 11.327 7.994 -21.961 1.00 0.00 H new ATOM 0 HD11 LEU A 25 11.579 5.530 -22.054 1.00 0.00 H new ATOM 0 HD12 LEU A 25 12.809 6.267 -20.999 1.00 0.00 H new ATOM 0 HD13 LEU A 25 11.400 5.446 -20.286 1.00 0.00 H new ATOM 0 HD21 LEU A 25 9.318 6.558 -22.253 1.00 0.00 H new ATOM 0 HD22 LEU A 25 9.108 6.500 -20.486 1.00 0.00 H new ATOM 0 HD23 LEU A 25 8.925 8.043 -21.354 1.00 0.00 H new ATOM 843 N LYS A 26 12.053 7.889 -16.607 1.00 0.00 N ATOM 844 CA LYS A 26 13.218 7.690 -15.687 1.00 0.00 C ATOM 845 C LYS A 26 12.916 6.568 -14.681 1.00 0.00 C ATOM 846 O LYS A 26 13.810 5.821 -14.295 1.00 0.00 O ATOM 847 CB LYS A 26 13.527 8.987 -14.930 1.00 0.00 C ATOM 848 CG LYS A 26 14.794 8.804 -14.094 1.00 0.00 C ATOM 849 CD LYS A 26 15.452 10.165 -13.858 1.00 0.00 C ATOM 850 CE LYS A 26 16.937 9.968 -13.546 1.00 0.00 C ATOM 851 NZ LYS A 26 17.083 9.262 -12.241 1.00 0.00 N ATOM 0 H LYS A 26 11.420 8.649 -16.356 1.00 0.00 H new ATOM 0 HA LYS A 26 14.085 7.411 -16.286 1.00 0.00 H new ATOM 0 HB2 LYS A 26 13.660 9.808 -15.634 1.00 0.00 H new ATOM 0 HB3 LYS A 26 12.689 9.252 -14.285 1.00 0.00 H new ATOM 0 HG2 LYS A 26 14.549 8.337 -13.140 1.00 0.00 H new ATOM 0 HG3 LYS A 26 15.487 8.137 -14.607 1.00 0.00 H new ATOM 0 HD2 LYS A 26 15.335 10.795 -14.740 1.00 0.00 H new ATOM 0 HD3 LYS A 26 14.961 10.680 -13.032 1.00 0.00 H new ATOM 0 HE2 LYS A 26 17.412 9.390 -14.339 1.00 0.00 H new ATOM 0 HE3 LYS A 26 17.442 10.933 -13.508 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 18.087 9.233 -11.972 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 16.543 9.768 -11.510 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 16.721 8.291 -12.329 1.00 0.00 H new ATOM 852 N LYS A 27 11.684 6.424 -14.243 1.00 0.00 N ATOM 853 CA LYS A 27 11.376 5.331 -13.267 1.00 0.00 C ATOM 854 C LYS A 27 11.421 3.953 -13.963 1.00 0.00 C ATOM 855 O LYS A 27 11.607 2.934 -13.300 1.00 0.00 O ATOM 856 CB LYS A 27 9.989 5.546 -12.643 1.00 0.00 C ATOM 857 CG LYS A 27 8.916 5.530 -13.734 1.00 0.00 C ATOM 858 CD LYS A 27 7.551 5.250 -13.103 1.00 0.00 C ATOM 859 CE LYS A 27 7.466 3.776 -12.703 1.00 0.00 C ATOM 860 NZ LYS A 27 6.040 3.347 -12.685 1.00 0.00 N ATOM 0 H LYS A 27 10.892 7.007 -14.515 1.00 0.00 H new ATOM 0 HA LYS A 27 12.131 5.356 -12.481 1.00 0.00 H new ATOM 0 HB2 LYS A 27 9.786 4.765 -11.910 1.00 0.00 H new ATOM 0 HB3 LYS A 27 9.964 6.497 -12.111 1.00 0.00 H new ATOM 0 HG2 LYS A 27 8.898 6.487 -14.255 1.00 0.00 H new ATOM 0 HG3 LYS A 27 9.149 4.767 -14.477 1.00 0.00 H new ATOM 0 HD2 LYS A 27 7.406 5.884 -12.228 1.00 0.00 H new ATOM 0 HD3 LYS A 27 6.756 5.493 -13.808 1.00 0.00 H new ATOM 0 HE2 LYS A 27 8.032 3.164 -13.406 1.00 0.00 H new ATOM 0 HE3 LYS A 27 7.913 3.629 -11.720 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 5.982 2.345 -12.413 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 5.513 3.923 -11.998 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 5.628 3.473 -13.631 1.00 0.00 H new ATOM 861 N SER A 28 11.252 3.881 -15.275 1.00 0.00 N ATOM 862 CA SER A 28 11.286 2.546 -15.947 1.00 0.00 C ATOM 863 C SER A 28 12.723 2.199 -16.371 1.00 0.00 C ATOM 864 O SER A 28 13.169 1.068 -16.192 1.00 0.00 O ATOM 865 CB SER A 28 10.386 2.561 -17.187 1.00 0.00 C ATOM 866 OG SER A 28 9.305 3.459 -16.972 1.00 0.00 O ATOM 0 H SER A 28 11.095 4.679 -15.891 1.00 0.00 H new ATOM 0 HA SER A 28 10.927 1.796 -15.243 1.00 0.00 H new ATOM 0 HB2 SER A 28 10.959 2.866 -18.063 1.00 0.00 H new ATOM 0 HB3 SER A 28 10.007 1.559 -17.388 1.00 0.00 H new ATOM 0 HG SER A 28 8.951 3.758 -17.836 1.00 0.00 H new ATOM 867 N LEU A 29 13.457 3.137 -16.933 1.00 0.00 N ATOM 868 CA LEU A 29 14.859 2.818 -17.368 1.00 0.00 C ATOM 869 C LEU A 29 15.761 2.677 -16.137 1.00 0.00 C ATOM 870 O LEU A 29 16.394 1.646 -15.932 1.00 0.00 O ATOM 871 CB LEU A 29 15.405 3.936 -18.267 1.00 0.00 C ATOM 872 CG LEU A 29 14.509 4.084 -19.498 1.00 0.00 C ATOM 873 CD1 LEU A 29 14.711 5.470 -20.114 1.00 0.00 C ATOM 874 CD2 LEU A 29 14.875 3.010 -20.524 1.00 0.00 C ATOM 0 H LEU A 29 13.152 4.095 -17.107 1.00 0.00 H new ATOM 0 HA LEU A 29 14.847 1.882 -17.927 1.00 0.00 H new ATOM 0 HB2 LEU A 29 15.442 4.875 -17.716 1.00 0.00 H new ATOM 0 HB3 LEU A 29 16.426 3.706 -18.572 1.00 0.00 H new ATOM 0 HG LEU A 29 13.466 3.967 -19.205 1.00 0.00 H new ATOM 0 HD11 LEU A 29 14.072 5.575 -20.991 1.00 0.00 H new ATOM 0 HD12 LEU A 29 14.451 6.235 -19.382 1.00 0.00 H new ATOM 0 HD13 LEU A 29 15.754 5.589 -20.408 1.00 0.00 H new ATOM 0 HD21 LEU A 29 14.238 3.114 -21.402 1.00 0.00 H new ATOM 0 HD22 LEU A 29 15.918 3.127 -20.817 1.00 0.00 H new ATOM 0 HD23 LEU A 29 14.730 2.023 -20.085 1.00 0.00 H new ATOM 875 N HIS A 30 15.834 3.694 -15.313 1.00 0.00 N ATOM 876 CA HIS A 30 16.703 3.613 -14.090 1.00 0.00 C ATOM 877 C HIS A 30 16.415 2.325 -13.295 1.00 0.00 C ATOM 878 O HIS A 30 17.299 1.806 -12.617 1.00 0.00 O ATOM 879 CB HIS A 30 16.450 4.826 -13.184 1.00 0.00 C ATOM 880 CG HIS A 30 17.627 5.026 -12.272 1.00 0.00 C ATOM 881 ND1 HIS A 30 17.611 4.622 -10.946 1.00 0.00 N ATOM 882 CD2 HIS A 30 18.864 5.586 -12.478 1.00 0.00 C ATOM 883 CE1 HIS A 30 18.803 4.941 -10.411 1.00 0.00 C ATOM 884 NE2 HIS A 30 19.604 5.531 -11.301 1.00 0.00 N ATOM 0 H HIS A 30 15.333 4.575 -15.431 1.00 0.00 H new ATOM 0 HA HIS A 30 17.743 3.604 -14.417 1.00 0.00 H new ATOM 0 HB2 HIS A 30 16.290 5.718 -13.789 1.00 0.00 H new ATOM 0 HB3 HIS A 30 15.544 4.672 -12.597 1.00 0.00 H new ATOM 0 HD2 HIS A 30 19.210 6.005 -13.411 1.00 0.00 H new ATOM 0 HE1 HIS A 30 19.079 4.744 -9.386 1.00 0.00 H new ATOM 0 HE2 HIS A 30 20.555 5.869 -11.151 1.00 0.00 H new ATOM 885 N ALA A 31 15.208 1.798 -13.344 1.00 0.00 N ATOM 886 CA ALA A 31 14.912 0.553 -12.564 1.00 0.00 C ATOM 887 C ALA A 31 15.483 -0.676 -13.289 1.00 0.00 C ATOM 888 O ALA A 31 16.421 -1.306 -12.805 1.00 0.00 O ATOM 889 CB ALA A 31 13.397 0.380 -12.398 1.00 0.00 C ATOM 0 H ALA A 31 14.427 2.172 -13.883 1.00 0.00 H new ATOM 0 HA ALA A 31 15.377 0.644 -11.582 1.00 0.00 H new ATOM 0 HB1 ALA A 31 13.195 -0.528 -11.830 1.00 0.00 H new ATOM 0 HB2 ALA A 31 12.989 1.239 -11.866 1.00 0.00 H new ATOM 0 HB3 ALA A 31 12.930 0.305 -13.380 1.00 0.00 H new ATOM 890 N ILE A 32 14.920 -1.057 -14.419 1.00 0.00 N ATOM 891 CA ILE A 32 15.412 -2.264 -15.142 1.00 0.00 C ATOM 892 C ILE A 32 16.954 -2.299 -15.241 1.00 0.00 C ATOM 893 O ILE A 32 17.587 -3.243 -14.767 1.00 0.00 O ATOM 894 CB ILE A 32 14.805 -2.348 -16.556 1.00 0.00 C ATOM 895 CG1 ILE A 32 14.627 -0.964 -17.230 1.00 0.00 C ATOM 896 CG2 ILE A 32 13.448 -3.054 -16.483 1.00 0.00 C ATOM 897 CD1 ILE A 32 15.323 -0.959 -18.595 1.00 0.00 C ATOM 0 H ILE A 32 14.139 -0.577 -14.866 1.00 0.00 H new ATOM 0 HA ILE A 32 15.090 -3.126 -14.558 1.00 0.00 H new ATOM 0 HB ILE A 32 15.508 -2.911 -17.170 1.00 0.00 H new ATOM 0 HG12 ILE A 32 13.567 -0.742 -17.351 1.00 0.00 H new ATOM 0 HG13 ILE A 32 15.046 -0.183 -16.595 1.00 0.00 H new ATOM 0 HG21 ILE A 32 13.016 -3.115 -17.482 1.00 0.00 H new ATOM 0 HG22 ILE A 32 13.582 -4.059 -16.083 1.00 0.00 H new ATOM 0 HG23 ILE A 32 12.779 -2.491 -15.832 1.00 0.00 H new ATOM 0 HD11 ILE A 32 15.195 0.016 -19.065 1.00 0.00 H new ATOM 0 HD12 ILE A 32 16.386 -1.161 -18.462 1.00 0.00 H new ATOM 0 HD13 ILE A 32 14.884 -1.728 -19.230 1.00 0.00 H new ATOM 898 N PHE A 33 17.572 -1.321 -15.855 1.00 0.00 N ATOM 899 CA PHE A 33 19.069 -1.340 -15.990 1.00 0.00 C ATOM 900 C PHE A 33 19.741 -1.348 -14.605 1.00 0.00 C ATOM 901 O PHE A 33 20.767 -1.999 -14.413 1.00 0.00 O ATOM 902 CB PHE A 33 19.544 -0.104 -16.769 1.00 0.00 C ATOM 903 CG PHE A 33 19.002 -0.163 -18.177 1.00 0.00 C ATOM 904 CD1 PHE A 33 19.358 -1.221 -19.020 1.00 0.00 C ATOM 905 CD2 PHE A 33 18.140 0.840 -18.638 1.00 0.00 C ATOM 906 CE1 PHE A 33 18.853 -1.277 -20.325 1.00 0.00 C ATOM 907 CE2 PHE A 33 17.635 0.784 -19.942 1.00 0.00 C ATOM 908 CZ PHE A 33 17.991 -0.274 -20.786 1.00 0.00 C ATOM 0 H PHE A 33 17.110 -0.511 -16.269 1.00 0.00 H new ATOM 0 HA PHE A 33 19.348 -2.246 -16.528 1.00 0.00 H new ATOM 0 HB2 PHE A 33 19.203 0.805 -16.274 1.00 0.00 H new ATOM 0 HB3 PHE A 33 20.633 -0.068 -16.788 1.00 0.00 H new ATOM 0 HD1 PHE A 33 20.022 -1.995 -18.664 1.00 0.00 H new ATOM 0 HD2 PHE A 33 17.865 1.657 -17.987 1.00 0.00 H new ATOM 0 HE1 PHE A 33 19.128 -2.094 -20.976 1.00 0.00 H new ATOM 0 HE2 PHE A 33 16.970 1.558 -20.297 1.00 0.00 H new ATOM 0 HZ PHE A 33 17.601 -0.317 -21.792 1.00 0.00 H new ATOM 909 N SER A 34 19.205 -0.638 -13.635 1.00 0.00 N ATOM 910 CA SER A 34 19.855 -0.620 -12.280 1.00 0.00 C ATOM 911 C SER A 34 20.044 -2.055 -11.754 1.00 0.00 C ATOM 912 O SER A 34 21.029 -2.348 -11.079 1.00 0.00 O ATOM 913 CB SER A 34 18.994 0.164 -11.283 1.00 0.00 C ATOM 914 OG SER A 34 19.314 -0.249 -9.961 1.00 0.00 O ATOM 0 H SER A 34 18.357 -0.077 -13.720 1.00 0.00 H new ATOM 0 HA SER A 34 20.827 -0.138 -12.381 1.00 0.00 H new ATOM 0 HB2 SER A 34 19.170 1.234 -11.395 1.00 0.00 H new ATOM 0 HB3 SER A 34 17.937 -0.008 -11.484 1.00 0.00 H new ATOM 0 HG SER A 34 18.766 0.251 -9.320 1.00 0.00 H new ATOM 915 N ARG A 35 19.123 -2.958 -12.032 1.00 0.00 N ATOM 916 CA ARG A 35 19.272 -4.367 -11.524 1.00 0.00 C ATOM 917 C ARG A 35 20.676 -4.905 -11.850 1.00 0.00 C ATOM 918 O ARG A 35 21.348 -5.468 -10.988 1.00 0.00 O ATOM 919 CB ARG A 35 18.224 -5.278 -12.179 1.00 0.00 C ATOM 920 CG ARG A 35 16.908 -5.185 -11.401 1.00 0.00 C ATOM 921 CD ARG A 35 15.732 -5.266 -12.376 1.00 0.00 C ATOM 922 NE ARG A 35 14.547 -5.844 -11.679 1.00 0.00 N ATOM 923 CZ ARG A 35 13.369 -5.308 -11.842 1.00 0.00 C ATOM 924 NH1 ARG A 35 13.039 -4.240 -11.168 1.00 0.00 N ATOM 925 NH2 ARG A 35 12.520 -5.839 -12.679 1.00 0.00 N ATOM 0 H ARG A 35 18.283 -2.782 -12.583 1.00 0.00 H new ATOM 0 HA ARG A 35 19.127 -4.359 -10.444 1.00 0.00 H new ATOM 0 HB2 ARG A 35 18.067 -4.982 -13.216 1.00 0.00 H new ATOM 0 HB3 ARG A 35 18.579 -6.308 -12.192 1.00 0.00 H new ATOM 0 HG2 ARG A 35 16.846 -5.993 -10.672 1.00 0.00 H new ATOM 0 HG3 ARG A 35 16.868 -4.249 -10.843 1.00 0.00 H new ATOM 0 HD2 ARG A 35 15.494 -4.273 -12.758 1.00 0.00 H new ATOM 0 HD3 ARG A 35 15.999 -5.883 -13.234 1.00 0.00 H new ATOM 0 HE ARG A 35 14.658 -6.658 -11.075 1.00 0.00 H new ATOM 0 HH11 ARG A 35 13.702 -3.825 -10.514 1.00 0.00 H new ATOM 0 HH12 ARG A 35 12.118 -3.821 -11.295 1.00 0.00 H new ATOM 0 HH21 ARG A 35 12.777 -6.673 -13.206 1.00 0.00 H new ATOM 0 HH22 ARG A 35 11.599 -5.420 -12.806 1.00 0.00 H new ATOM 926 N PHE A 36 21.137 -4.747 -13.073 1.00 0.00 N ATOM 927 CA PHE A 36 22.501 -5.261 -13.420 1.00 0.00 C ATOM 928 C PHE A 36 23.550 -4.544 -12.557 1.00 0.00 C ATOM 929 O PHE A 36 24.322 -5.185 -11.845 1.00 0.00 O ATOM 930 CB PHE A 36 22.808 -5.008 -14.903 1.00 0.00 C ATOM 931 CG PHE A 36 21.884 -5.844 -15.756 1.00 0.00 C ATOM 932 CD1 PHE A 36 22.224 -7.165 -16.067 1.00 0.00 C ATOM 933 CD2 PHE A 36 20.687 -5.297 -16.234 1.00 0.00 C ATOM 934 CE1 PHE A 36 21.367 -7.940 -16.857 1.00 0.00 C ATOM 935 CE2 PHE A 36 19.831 -6.072 -17.024 1.00 0.00 C ATOM 936 CZ PHE A 36 20.170 -7.394 -17.336 1.00 0.00 C ATOM 0 H PHE A 36 20.634 -4.291 -13.834 1.00 0.00 H new ATOM 0 HA PHE A 36 22.531 -6.334 -13.230 1.00 0.00 H new ATOM 0 HB2 PHE A 36 22.680 -3.951 -15.137 1.00 0.00 H new ATOM 0 HB3 PHE A 36 23.847 -5.259 -15.119 1.00 0.00 H new ATOM 0 HD1 PHE A 36 23.147 -7.587 -15.698 1.00 0.00 H new ATOM 0 HD2 PHE A 36 20.425 -4.277 -15.993 1.00 0.00 H new ATOM 0 HE1 PHE A 36 21.629 -8.960 -17.097 1.00 0.00 H new ATOM 0 HE2 PHE A 36 18.908 -5.650 -17.393 1.00 0.00 H new ATOM 0 HZ PHE A 36 19.509 -7.992 -17.946 1.00 0.00 H new ATOM 937 N GLY A 37 23.602 -3.229 -12.601 1.00 0.00 N ATOM 938 CA GLY A 37 24.610 -2.498 -11.775 1.00 0.00 C ATOM 939 C GLY A 37 24.080 -1.100 -11.417 1.00 0.00 C ATOM 940 O GLY A 37 22.888 -0.828 -11.544 1.00 0.00 O ATOM 0 H GLY A 37 22.994 -2.639 -13.169 1.00 0.00 H new ATOM 0 HA2 GLY A 37 24.823 -3.059 -10.865 1.00 0.00 H new ATOM 0 HA3 GLY A 37 25.548 -2.411 -12.323 1.00 0.00 H new ATOM 941 N GLN A 38 24.937 -0.204 -10.976 1.00 0.00 N ATOM 942 CA GLN A 38 24.459 1.169 -10.620 1.00 0.00 C ATOM 943 C GLN A 38 24.394 2.026 -11.889 1.00 0.00 C ATOM 944 O GLN A 38 25.153 1.812 -12.830 1.00 0.00 O ATOM 945 CB GLN A 38 25.417 1.820 -9.615 1.00 0.00 C ATOM 946 CG GLN A 38 24.685 2.929 -8.857 1.00 0.00 C ATOM 947 CD GLN A 38 25.328 3.120 -7.479 1.00 0.00 C ATOM 948 OE1 GLN A 38 24.974 2.428 -6.527 1.00 0.00 O ATOM 949 NE2 GLN A 38 26.263 4.024 -7.312 1.00 0.00 N ATOM 0 H GLN A 38 25.936 -0.364 -10.849 1.00 0.00 H new ATOM 0 HA GLN A 38 23.469 1.096 -10.169 1.00 0.00 H new ATOM 0 HB2 GLN A 38 25.790 1.072 -8.915 1.00 0.00 H new ATOM 0 HB3 GLN A 38 26.283 2.230 -10.135 1.00 0.00 H new ATOM 0 HG2 GLN A 38 24.729 3.860 -9.422 1.00 0.00 H new ATOM 0 HG3 GLN A 38 23.631 2.673 -8.746 1.00 0.00 H new ATOM 0 HE21 GLN A 38 26.561 4.601 -8.099 1.00 0.00 H new ATOM 0 HE22 GLN A 38 26.693 4.150 -6.396 1.00 0.00 H new ATOM 950 N ILE A 39 23.502 2.989 -11.941 1.00 0.00 N ATOM 951 CA ILE A 39 23.403 3.844 -13.159 1.00 0.00 C ATOM 952 C ILE A 39 23.882 5.265 -12.829 1.00 0.00 C ATOM 953 O ILE A 39 23.288 5.953 -12.000 1.00 0.00 O ATOM 954 CB ILE A 39 21.949 3.892 -13.630 1.00 0.00 C ATOM 955 CG1 ILE A 39 21.431 2.464 -13.826 1.00 0.00 C ATOM 956 CG2 ILE A 39 21.866 4.648 -14.957 1.00 0.00 C ATOM 957 CD1 ILE A 39 19.902 2.474 -13.900 1.00 0.00 C ATOM 0 H ILE A 39 22.844 3.216 -11.195 1.00 0.00 H new ATOM 0 HA ILE A 39 24.028 3.426 -13.948 1.00 0.00 H new ATOM 0 HB ILE A 39 21.342 4.402 -12.882 1.00 0.00 H new ATOM 0 HG12 ILE A 39 21.846 2.039 -14.740 1.00 0.00 H new ATOM 0 HG13 ILE A 39 21.760 1.831 -13.002 1.00 0.00 H new ATOM 0 HG21 ILE A 39 20.829 4.682 -15.292 1.00 0.00 H new ATOM 0 HG22 ILE A 39 22.237 5.664 -14.821 1.00 0.00 H new ATOM 0 HG23 ILE A 39 22.473 4.138 -15.705 1.00 0.00 H new ATOM 0 HD11 ILE A 39 19.538 1.456 -14.039 1.00 0.00 H new ATOM 0 HD12 ILE A 39 19.496 2.881 -12.974 1.00 0.00 H new ATOM 0 HD13 ILE A 39 19.582 3.092 -14.739 1.00 0.00 H new ATOM 958 N LEU A 40 24.946 5.725 -13.455 1.00 0.00 N ATOM 959 CA LEU A 40 25.443 7.107 -13.157 1.00 0.00 C ATOM 960 C LEU A 40 24.328 8.123 -13.432 1.00 0.00 C ATOM 961 O LEU A 40 24.087 9.026 -12.631 1.00 0.00 O ATOM 962 CB LEU A 40 26.662 7.444 -14.032 1.00 0.00 C ATOM 963 CG LEU A 40 27.832 6.521 -13.675 1.00 0.00 C ATOM 964 CD1 LEU A 40 29.011 6.809 -14.608 1.00 0.00 C ATOM 965 CD2 LEU A 40 28.260 6.767 -12.226 1.00 0.00 C ATOM 0 H LEU A 40 25.484 5.208 -14.151 1.00 0.00 H new ATOM 0 HA LEU A 40 25.738 7.152 -12.109 1.00 0.00 H new ATOM 0 HB2 LEU A 40 26.407 7.331 -15.086 1.00 0.00 H new ATOM 0 HB3 LEU A 40 26.950 8.485 -13.884 1.00 0.00 H new ATOM 0 HG LEU A 40 27.520 5.483 -13.789 1.00 0.00 H new ATOM 0 HD11 LEU A 40 29.844 6.153 -14.355 1.00 0.00 H new ATOM 0 HD12 LEU A 40 28.710 6.631 -15.640 1.00 0.00 H new ATOM 0 HD13 LEU A 40 29.320 7.848 -14.494 1.00 0.00 H new ATOM 0 HD21 LEU A 40 29.092 6.109 -11.976 1.00 0.00 H new ATOM 0 HD22 LEU A 40 28.571 7.805 -12.110 1.00 0.00 H new ATOM 0 HD23 LEU A 40 27.422 6.562 -11.559 1.00 0.00 H new ATOM 966 N ASP A 41 23.638 8.002 -14.544 1.00 0.00 N ATOM 967 CA ASP A 41 22.539 8.975 -14.848 1.00 0.00 C ATOM 968 C ASP A 41 21.863 8.624 -16.185 1.00 0.00 C ATOM 969 O ASP A 41 22.492 8.061 -17.080 1.00 0.00 O ATOM 970 CB ASP A 41 23.123 10.387 -14.937 1.00 0.00 C ATOM 971 CG ASP A 41 22.098 11.398 -14.419 1.00 0.00 C ATOM 972 OD1 ASP A 41 21.213 11.756 -15.178 1.00 0.00 O ATOM 973 OD2 ASP A 41 22.215 11.797 -13.272 1.00 0.00 O ATOM 0 H ASP A 41 23.787 7.279 -15.248 1.00 0.00 H new ATOM 0 HA ASP A 41 21.796 8.925 -14.052 1.00 0.00 H new ATOM 0 HB2 ASP A 41 24.040 10.450 -14.351 1.00 0.00 H new ATOM 0 HB3 ASP A 41 23.388 10.618 -15.969 1.00 0.00 H new ATOM 974 N ILE A 42 20.597 8.947 -16.346 1.00 0.00 N ATOM 975 CA ILE A 42 19.902 8.630 -17.628 1.00 0.00 C ATOM 976 C ILE A 42 19.499 9.941 -18.322 1.00 0.00 C ATOM 977 O ILE A 42 19.052 10.884 -17.672 1.00 0.00 O ATOM 978 CB ILE A 42 18.652 7.794 -17.335 1.00 0.00 C ATOM 979 CG1 ILE A 42 19.060 6.506 -16.612 1.00 0.00 C ATOM 980 CG2 ILE A 42 17.938 7.443 -18.644 1.00 0.00 C ATOM 981 CD1 ILE A 42 17.829 5.869 -15.964 1.00 0.00 C ATOM 0 H ILE A 42 20.022 9.414 -15.645 1.00 0.00 H new ATOM 0 HA ILE A 42 20.568 8.065 -18.280 1.00 0.00 H new ATOM 0 HB ILE A 42 17.975 8.370 -16.704 1.00 0.00 H new ATOM 0 HG12 ILE A 42 19.514 5.809 -17.317 1.00 0.00 H new ATOM 0 HG13 ILE A 42 19.811 6.725 -15.853 1.00 0.00 H new ATOM 0 HG21 ILE A 42 17.051 6.849 -18.426 1.00 0.00 H new ATOM 0 HG22 ILE A 42 17.644 8.360 -19.155 1.00 0.00 H new ATOM 0 HG23 ILE A 42 18.610 6.871 -19.283 1.00 0.00 H new ATOM 0 HD11 ILE A 42 18.121 4.953 -15.450 1.00 0.00 H new ATOM 0 HD12 ILE A 42 17.395 6.565 -15.246 1.00 0.00 H new ATOM 0 HD13 ILE A 42 17.093 5.635 -16.733 1.00 0.00 H new ATOM 982 N LEU A 43 19.650 10.026 -19.627 1.00 0.00 N ATOM 983 CA LEU A 43 19.276 11.282 -20.338 1.00 0.00 C ATOM 984 C LEU A 43 18.028 11.045 -21.202 1.00 0.00 C ATOM 985 O LEU A 43 17.942 10.057 -21.930 1.00 0.00 O ATOM 986 CB LEU A 43 20.433 11.719 -21.237 1.00 0.00 C ATOM 987 CG LEU A 43 21.340 12.681 -20.470 1.00 0.00 C ATOM 988 CD1 LEU A 43 22.416 11.887 -19.728 1.00 0.00 C ATOM 989 CD2 LEU A 43 22.003 13.646 -21.455 1.00 0.00 C ATOM 0 H LEU A 43 20.014 9.281 -20.221 1.00 0.00 H new ATOM 0 HA LEU A 43 19.063 12.058 -19.603 1.00 0.00 H new ATOM 0 HB2 LEU A 43 21.002 10.849 -21.564 1.00 0.00 H new ATOM 0 HB3 LEU A 43 20.047 12.203 -22.134 1.00 0.00 H new ATOM 0 HG LEU A 43 20.747 13.246 -19.750 1.00 0.00 H new ATOM 0 HD11 LEU A 43 23.063 12.573 -19.181 1.00 0.00 H new ATOM 0 HD12 LEU A 43 21.942 11.199 -19.028 1.00 0.00 H new ATOM 0 HD13 LEU A 43 23.011 11.322 -20.446 1.00 0.00 H new ATOM 0 HD21 LEU A 43 22.651 14.333 -20.911 1.00 0.00 H new ATOM 0 HD22 LEU A 43 22.596 13.081 -22.174 1.00 0.00 H new ATOM 0 HD23 LEU A 43 21.235 14.212 -21.983 1.00 0.00 H new ATOM 990 N VAL A 44 17.061 11.936 -21.147 1.00 0.00 N ATOM 991 CA VAL A 44 15.833 11.762 -21.976 1.00 0.00 C ATOM 992 C VAL A 44 15.426 13.125 -22.555 1.00 0.00 C ATOM 993 O VAL A 44 15.201 14.080 -21.813 1.00 0.00 O ATOM 994 CB VAL A 44 14.692 11.207 -21.113 1.00 0.00 C ATOM 995 CG1 VAL A 44 14.995 9.755 -20.736 1.00 0.00 C ATOM 996 CG2 VAL A 44 14.551 12.043 -19.837 1.00 0.00 C ATOM 0 H VAL A 44 17.074 12.772 -20.563 1.00 0.00 H new ATOM 0 HA VAL A 44 16.035 11.060 -22.785 1.00 0.00 H new ATOM 0 HB VAL A 44 13.762 11.252 -21.679 1.00 0.00 H new ATOM 0 HG11 VAL A 44 14.184 9.361 -20.123 1.00 0.00 H new ATOM 0 HG12 VAL A 44 15.089 9.156 -21.642 1.00 0.00 H new ATOM 0 HG13 VAL A 44 15.928 9.712 -20.174 1.00 0.00 H new ATOM 0 HG21 VAL A 44 13.739 11.644 -19.229 1.00 0.00 H new ATOM 0 HG22 VAL A 44 15.482 12.003 -19.271 1.00 0.00 H new ATOM 0 HG23 VAL A 44 14.331 13.077 -20.102 1.00 0.00 H new ATOM 997 N SER A 45 15.337 13.246 -23.862 1.00 0.00 N ATOM 998 CA SER A 45 14.955 14.557 -24.463 1.00 0.00 C ATOM 999 C SER A 45 13.517 14.486 -24.994 1.00 0.00 C ATOM 1000 O SER A 45 12.933 13.408 -25.092 1.00 0.00 O ATOM 1001 CB SER A 45 15.906 14.887 -25.613 1.00 0.00 C ATOM 1002 OG SER A 45 17.230 15.000 -25.110 1.00 0.00 O ATOM 0 H SER A 45 15.512 12.496 -24.530 1.00 0.00 H new ATOM 0 HA SER A 45 15.019 15.334 -23.701 1.00 0.00 H new ATOM 0 HB2 SER A 45 15.859 14.108 -26.374 1.00 0.00 H new ATOM 0 HB3 SER A 45 15.606 15.819 -26.092 1.00 0.00 H new ATOM 0 HG SER A 45 17.813 14.368 -25.579 1.00 0.00 H new ATOM 1003 N ARG A 46 12.928 15.612 -25.344 1.00 0.00 N ATOM 1004 CA ARG A 46 11.532 15.589 -25.869 1.00 0.00 C ATOM 1005 C ARG A 46 11.454 16.391 -27.177 1.00 0.00 C ATOM 1006 O ARG A 46 10.471 17.085 -27.430 1.00 0.00 O ATOM 1007 CB ARG A 46 10.590 16.207 -24.834 1.00 0.00 C ATOM 1008 CG ARG A 46 9.236 15.496 -24.885 1.00 0.00 C ATOM 1009 CD ARG A 46 8.617 15.472 -23.485 1.00 0.00 C ATOM 1010 NE ARG A 46 7.133 15.543 -23.596 1.00 0.00 N ATOM 1011 CZ ARG A 46 6.490 16.575 -23.120 1.00 0.00 C ATOM 1012 NH1 ARG A 46 6.479 16.801 -21.835 1.00 0.00 N ATOM 1013 NH2 ARG A 46 5.859 17.381 -23.930 1.00 0.00 N ATOM 0 H ARG A 46 13.356 16.536 -25.287 1.00 0.00 H new ATOM 0 HA ARG A 46 11.237 14.558 -26.063 1.00 0.00 H new ATOM 0 HB2 ARG A 46 11.021 16.119 -23.837 1.00 0.00 H new ATOM 0 HB3 ARG A 46 10.461 17.271 -25.033 1.00 0.00 H new ATOM 0 HG2 ARG A 46 8.570 16.009 -25.579 1.00 0.00 H new ATOM 0 HG3 ARG A 46 9.362 14.479 -25.256 1.00 0.00 H new ATOM 0 HD2 ARG A 46 8.910 14.562 -22.962 1.00 0.00 H new ATOM 0 HD3 ARG A 46 8.989 16.311 -22.897 1.00 0.00 H new ATOM 0 HE ARG A 46 6.619 14.785 -24.044 1.00 0.00 H new ATOM 0 HH11 ARG A 46 6.973 16.172 -21.202 1.00 0.00 H new ATOM 0 HH12 ARG A 46 5.977 17.607 -21.463 1.00 0.00 H new ATOM 0 HH21 ARG A 46 5.868 17.205 -24.935 1.00 0.00 H new ATOM 0 HH22 ARG A 46 5.357 18.187 -23.558 1.00 0.00 H new ATOM 1014 N SER A 47 12.462 16.312 -28.024 1.00 0.00 N ATOM 1015 CA SER A 47 12.414 17.075 -29.308 1.00 0.00 C ATOM 1016 C SER A 47 11.823 16.175 -30.403 1.00 0.00 C ATOM 1017 O SER A 47 11.361 15.069 -30.123 1.00 0.00 O ATOM 1018 CB SER A 47 13.827 17.509 -29.706 1.00 0.00 C ATOM 1019 OG SER A 47 14.583 16.365 -30.078 1.00 0.00 O ATOM 0 H SER A 47 13.305 15.756 -27.878 1.00 0.00 H new ATOM 0 HA SER A 47 11.792 17.962 -29.184 1.00 0.00 H new ATOM 0 HB2 SER A 47 13.783 18.215 -30.535 1.00 0.00 H new ATOM 0 HB3 SER A 47 14.309 18.023 -28.875 1.00 0.00 H new ATOM 0 HG SER A 47 15.488 16.640 -30.335 1.00 0.00 H new ATOM 1020 N LEU A 48 11.818 16.617 -31.643 1.00 0.00 N ATOM 1021 CA LEU A 48 11.241 15.760 -32.728 1.00 0.00 C ATOM 1022 C LEU A 48 12.214 14.617 -33.052 1.00 0.00 C ATOM 1023 O LEU A 48 11.827 13.449 -33.075 1.00 0.00 O ATOM 1024 CB LEU A 48 11.002 16.591 -33.993 1.00 0.00 C ATOM 1025 CG LEU A 48 9.874 15.972 -34.818 1.00 0.00 C ATOM 1026 CD1 LEU A 48 9.081 17.084 -35.515 1.00 0.00 C ATOM 1027 CD2 LEU A 48 10.470 15.032 -35.869 1.00 0.00 C ATOM 0 H LEU A 48 12.183 17.520 -31.945 1.00 0.00 H new ATOM 0 HA LEU A 48 10.290 15.352 -32.384 1.00 0.00 H new ATOM 0 HB2 LEU A 48 10.746 17.615 -33.722 1.00 0.00 H new ATOM 0 HB3 LEU A 48 11.915 16.637 -34.586 1.00 0.00 H new ATOM 0 HG LEU A 48 9.209 15.410 -34.163 1.00 0.00 H new ATOM 0 HD11 LEU A 48 8.276 16.643 -36.104 1.00 0.00 H new ATOM 0 HD12 LEU A 48 8.658 17.753 -34.766 1.00 0.00 H new ATOM 0 HD13 LEU A 48 9.744 17.647 -36.172 1.00 0.00 H new ATOM 0 HD21 LEU A 48 9.667 14.589 -36.458 1.00 0.00 H new ATOM 0 HD22 LEU A 48 11.134 15.594 -36.525 1.00 0.00 H new ATOM 0 HD23 LEU A 48 11.034 14.242 -35.373 1.00 0.00 H new ATOM 1028 N LYS A 49 13.469 14.921 -33.303 1.00 0.00 N ATOM 1029 CA LYS A 49 14.447 13.830 -33.625 1.00 0.00 C ATOM 1030 C LYS A 49 14.502 12.835 -32.457 1.00 0.00 C ATOM 1031 O LYS A 49 14.562 11.624 -32.665 1.00 0.00 O ATOM 1032 CB LYS A 49 15.847 14.416 -33.856 1.00 0.00 C ATOM 1033 CG LYS A 49 15.811 15.372 -35.051 1.00 0.00 C ATOM 1034 CD LYS A 49 16.760 16.547 -34.797 1.00 0.00 C ATOM 1035 CE LYS A 49 18.207 16.057 -34.861 1.00 0.00 C ATOM 1036 NZ LYS A 49 19.100 17.061 -34.216 1.00 0.00 N ATOM 0 H LYS A 49 13.854 15.866 -33.299 1.00 0.00 H new ATOM 0 HA LYS A 49 14.121 13.323 -34.533 1.00 0.00 H new ATOM 0 HB2 LYS A 49 16.183 14.945 -32.964 1.00 0.00 H new ATOM 0 HB3 LYS A 49 16.562 13.614 -34.040 1.00 0.00 H new ATOM 0 HG2 LYS A 49 16.103 14.846 -35.960 1.00 0.00 H new ATOM 0 HG3 LYS A 49 14.796 15.738 -35.206 1.00 0.00 H new ATOM 0 HD2 LYS A 49 16.596 17.328 -35.540 1.00 0.00 H new ATOM 0 HD3 LYS A 49 16.557 16.988 -33.821 1.00 0.00 H new ATOM 0 HE2 LYS A 49 18.299 15.095 -34.357 1.00 0.00 H new ATOM 0 HE3 LYS A 49 18.505 15.903 -35.898 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 20.084 16.728 -34.259 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 19.019 17.969 -34.716 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 18.820 17.187 -33.222 1.00 0.00 H new ATOM 1037 N MET A 50 14.485 13.312 -31.230 1.00 0.00 N ATOM 1038 CA MET A 50 14.540 12.379 -30.068 1.00 0.00 C ATOM 1039 C MET A 50 13.129 12.209 -29.482 1.00 0.00 C ATOM 1040 O MET A 50 12.923 12.368 -28.278 1.00 0.00 O ATOM 1041 CB MET A 50 15.476 12.951 -28.999 1.00 0.00 C ATOM 1042 CG MET A 50 16.250 11.813 -28.333 1.00 0.00 C ATOM 1043 SD MET A 50 17.779 12.464 -27.617 1.00 0.00 S ATOM 1044 CE MET A 50 18.819 12.261 -29.083 1.00 0.00 C ATOM 0 H MET A 50 14.436 14.302 -30.990 1.00 0.00 H new ATOM 0 HA MET A 50 14.915 11.409 -30.395 1.00 0.00 H new ATOM 0 HB2 MET A 50 16.169 13.661 -29.450 1.00 0.00 H new ATOM 0 HB3 MET A 50 14.901 13.499 -28.253 1.00 0.00 H new ATOM 0 HG2 MET A 50 15.641 11.349 -27.557 1.00 0.00 H new ATOM 0 HG3 MET A 50 16.479 11.038 -29.064 1.00 0.00 H new ATOM 0 HE1 MET A 50 19.829 12.607 -28.863 1.00 0.00 H new ATOM 0 HE2 MET A 50 18.849 11.208 -29.365 1.00 0.00 H new ATOM 0 HE3 MET A 50 18.406 12.845 -29.906 1.00 0.00 H new ATOM 1045 N ARG A 51 12.149 11.889 -30.301 1.00 0.00 N ATOM 1046 CA ARG A 51 10.764 11.714 -29.769 1.00 0.00 C ATOM 1047 C ARG A 51 10.477 10.216 -29.579 1.00 0.00 C ATOM 1048 O ARG A 51 9.456 9.706 -30.037 1.00 0.00 O ATOM 1049 CB ARG A 51 9.757 12.309 -30.758 1.00 0.00 C ATOM 1050 CG ARG A 51 8.641 13.021 -29.987 1.00 0.00 C ATOM 1051 CD ARG A 51 8.033 14.124 -30.858 1.00 0.00 C ATOM 1052 NE ARG A 51 7.765 15.326 -30.021 1.00 0.00 N ATOM 1053 CZ ARG A 51 6.849 15.285 -29.092 1.00 0.00 C ATOM 1054 NH1 ARG A 51 7.145 14.834 -27.904 1.00 0.00 N ATOM 1055 NH2 ARG A 51 5.638 15.696 -29.352 1.00 0.00 N ATOM 0 H ARG A 51 12.252 11.744 -31.305 1.00 0.00 H new ATOM 0 HA ARG A 51 10.674 12.226 -28.811 1.00 0.00 H new ATOM 0 HB2 ARG A 51 10.258 13.011 -31.425 1.00 0.00 H new ATOM 0 HB3 ARG A 51 9.336 11.521 -31.383 1.00 0.00 H new ATOM 0 HG2 ARG A 51 7.871 12.305 -29.700 1.00 0.00 H new ATOM 0 HG3 ARG A 51 9.038 13.449 -29.066 1.00 0.00 H new ATOM 0 HD2 ARG A 51 8.714 14.378 -31.670 1.00 0.00 H new ATOM 0 HD3 ARG A 51 7.108 13.773 -31.316 1.00 0.00 H new ATOM 0 HE ARG A 51 8.298 16.182 -30.174 1.00 0.00 H new ATOM 0 HH11 ARG A 51 8.092 14.514 -27.701 1.00 0.00 H new ATOM 0 HH12 ARG A 51 6.429 14.802 -27.178 1.00 0.00 H new ATOM 0 HH21 ARG A 51 5.408 16.049 -30.281 1.00 0.00 H new ATOM 0 HH22 ARG A 51 4.922 15.664 -28.626 1.00 0.00 H new ATOM 1056 N GLY A 52 11.354 9.497 -28.911 1.00 0.00 N ATOM 1057 CA GLY A 52 11.112 8.036 -28.700 1.00 0.00 C ATOM 1058 C GLY A 52 12.452 7.305 -28.509 1.00 0.00 C ATOM 1059 O GLY A 52 12.773 6.378 -29.252 1.00 0.00 O ATOM 0 H GLY A 52 12.218 9.858 -28.507 1.00 0.00 H new ATOM 0 HA2 GLY A 52 10.478 7.886 -27.826 1.00 0.00 H new ATOM 0 HA3 GLY A 52 10.579 7.620 -29.555 1.00 0.00 H new ATOM 1060 N GLN A 53 13.240 7.696 -27.529 1.00 0.00 N ATOM 1061 CA GLN A 53 14.553 7.008 -27.310 1.00 0.00 C ATOM 1062 C GLN A 53 15.269 7.611 -26.088 1.00 0.00 C ATOM 1063 O GLN A 53 15.055 8.774 -25.747 1.00 0.00 O ATOM 1064 CB GLN A 53 15.433 7.184 -28.550 1.00 0.00 C ATOM 1065 CG GLN A 53 15.608 8.676 -28.847 1.00 0.00 C ATOM 1066 CD GLN A 53 15.665 8.893 -30.364 1.00 0.00 C ATOM 1067 OE1 GLN A 53 16.734 8.805 -30.965 1.00 0.00 O ATOM 1068 NE2 GLN A 53 14.569 9.174 -31.028 1.00 0.00 N ATOM 0 H GLN A 53 13.031 8.454 -26.879 1.00 0.00 H new ATOM 0 HA GLN A 53 14.373 5.948 -27.132 1.00 0.00 H new ATOM 0 HB2 GLN A 53 16.405 6.719 -28.388 1.00 0.00 H new ATOM 0 HB3 GLN A 53 14.979 6.683 -29.405 1.00 0.00 H new ATOM 0 HG2 GLN A 53 14.781 9.242 -28.419 1.00 0.00 H new ATOM 0 HG3 GLN A 53 16.522 9.045 -28.382 1.00 0.00 H new ATOM 0 HE21 GLN A 53 13.679 9.248 -30.535 1.00 0.00 H new ATOM 0 HE22 GLN A 53 14.607 9.318 -32.037 1.00 0.00 H new ATOM 1069 N ALA A 54 16.110 6.853 -25.417 1.00 0.00 N ATOM 1070 CA ALA A 54 16.819 7.408 -24.225 1.00 0.00 C ATOM 1071 C ALA A 54 18.195 6.743 -24.077 1.00 0.00 C ATOM 1072 O ALA A 54 18.384 5.592 -24.468 1.00 0.00 O ATOM 1073 CB ALA A 54 15.987 7.140 -22.970 1.00 0.00 C ATOM 0 H ALA A 54 16.331 5.884 -25.644 1.00 0.00 H new ATOM 0 HA ALA A 54 16.953 8.482 -24.355 1.00 0.00 H new ATOM 0 HB1 ALA A 54 16.502 7.544 -22.099 1.00 0.00 H new ATOM 0 HB2 ALA A 54 15.013 7.619 -23.070 1.00 0.00 H new ATOM 0 HB3 ALA A 54 15.852 6.066 -22.846 1.00 0.00 H new ATOM 1074 N PHE A 55 19.163 7.436 -23.515 1.00 0.00 N ATOM 1075 CA PHE A 55 20.515 6.827 -23.347 1.00 0.00 C ATOM 1076 C PHE A 55 20.708 6.426 -21.878 1.00 0.00 C ATOM 1077 O PHE A 55 20.186 7.079 -20.977 1.00 0.00 O ATOM 1078 CB PHE A 55 21.591 7.846 -23.729 1.00 0.00 C ATOM 1079 CG PHE A 55 21.373 8.320 -25.145 1.00 0.00 C ATOM 1080 CD1 PHE A 55 20.448 9.338 -25.409 1.00 0.00 C ATOM 1081 CD2 PHE A 55 22.102 7.748 -26.195 1.00 0.00 C ATOM 1082 CE1 PHE A 55 20.253 9.783 -26.721 1.00 0.00 C ATOM 1083 CE2 PHE A 55 21.906 8.193 -27.507 1.00 0.00 C ATOM 1084 CZ PHE A 55 20.981 9.210 -27.770 1.00 0.00 C ATOM 0 H PHE A 55 19.071 8.391 -23.169 1.00 0.00 H new ATOM 0 HA PHE A 55 20.598 5.950 -23.989 1.00 0.00 H new ATOM 0 HB2 PHE A 55 21.560 8.694 -23.044 1.00 0.00 H new ATOM 0 HB3 PHE A 55 22.579 7.396 -23.635 1.00 0.00 H new ATOM 0 HD1 PHE A 55 19.885 9.779 -24.600 1.00 0.00 H new ATOM 0 HD2 PHE A 55 22.816 6.963 -25.992 1.00 0.00 H new ATOM 0 HE1 PHE A 55 19.541 10.569 -26.924 1.00 0.00 H new ATOM 0 HE2 PHE A 55 22.468 7.752 -28.317 1.00 0.00 H new ATOM 0 HZ PHE A 55 20.829 9.553 -28.783 1.00 0.00 H new ATOM 1085 N VAL A 56 21.454 5.376 -21.607 1.00 0.00 N ATOM 1086 CA VAL A 56 21.671 4.971 -20.185 1.00 0.00 C ATOM 1087 C VAL A 56 23.178 4.901 -19.906 1.00 0.00 C ATOM 1088 O VAL A 56 23.914 4.201 -20.600 1.00 0.00 O ATOM 1089 CB VAL A 56 21.045 3.599 -19.932 1.00 0.00 C ATOM 1090 CG1 VAL A 56 21.203 3.227 -18.454 1.00 0.00 C ATOM 1091 CG2 VAL A 56 19.559 3.641 -20.294 1.00 0.00 C ATOM 0 H VAL A 56 21.915 4.791 -22.303 1.00 0.00 H new ATOM 0 HA VAL A 56 21.205 5.704 -19.526 1.00 0.00 H new ATOM 0 HB VAL A 56 21.547 2.853 -20.548 1.00 0.00 H new ATOM 0 HG11 VAL A 56 20.756 2.249 -18.275 1.00 0.00 H new ATOM 0 HG12 VAL A 56 22.262 3.195 -18.198 1.00 0.00 H new ATOM 0 HG13 VAL A 56 20.703 3.973 -17.836 1.00 0.00 H new ATOM 0 HG21 VAL A 56 19.113 2.663 -20.114 1.00 0.00 H new ATOM 0 HG22 VAL A 56 19.056 4.388 -19.680 1.00 0.00 H new ATOM 0 HG23 VAL A 56 19.448 3.902 -21.347 1.00 0.00 H new ATOM 1092 N ILE A 57 23.658 5.603 -18.904 1.00 0.00 N ATOM 1093 CA ILE A 57 25.115 5.557 -18.598 1.00 0.00 C ATOM 1094 C ILE A 57 25.357 4.564 -17.458 1.00 0.00 C ATOM 1095 O ILE A 57 24.831 4.732 -16.358 1.00 0.00 O ATOM 1096 CB ILE A 57 25.600 6.947 -18.176 1.00 0.00 C ATOM 1097 CG1 ILE A 57 25.178 7.979 -19.226 1.00 0.00 C ATOM 1098 CG2 ILE A 57 27.125 6.941 -18.054 1.00 0.00 C ATOM 1099 CD1 ILE A 57 25.338 9.388 -18.654 1.00 0.00 C ATOM 0 H ILE A 57 23.103 6.201 -18.292 1.00 0.00 H new ATOM 0 HA ILE A 57 25.663 5.241 -19.485 1.00 0.00 H new ATOM 0 HB ILE A 57 25.158 7.206 -17.214 1.00 0.00 H new ATOM 0 HG12 ILE A 57 25.786 7.869 -20.124 1.00 0.00 H new ATOM 0 HG13 ILE A 57 24.142 7.811 -19.520 1.00 0.00 H new ATOM 0 HG21 ILE A 57 27.470 7.930 -17.754 1.00 0.00 H new ATOM 0 HG22 ILE A 57 27.427 6.209 -17.305 1.00 0.00 H new ATOM 0 HG23 ILE A 57 27.566 6.680 -19.016 1.00 0.00 H new ATOM 0 HD11 ILE A 57 25.037 10.121 -19.403 1.00 0.00 H new ATOM 0 HD12 ILE A 57 24.711 9.495 -17.769 1.00 0.00 H new ATOM 0 HD13 ILE A 57 26.380 9.554 -18.382 1.00 0.00 H new ATOM 1100 N PHE A 58 26.139 3.531 -17.684 1.00 0.00 N ATOM 1101 CA PHE A 58 26.398 2.547 -16.595 1.00 0.00 C ATOM 1102 C PHE A 58 27.722 2.906 -15.908 1.00 0.00 C ATOM 1103 O PHE A 58 28.647 3.399 -16.552 1.00 0.00 O ATOM 1104 CB PHE A 58 26.495 1.136 -17.186 1.00 0.00 C ATOM 1105 CG PHE A 58 25.217 0.373 -16.916 1.00 0.00 C ATOM 1106 CD1 PHE A 58 24.695 0.300 -15.617 1.00 0.00 C ATOM 1107 CD2 PHE A 58 24.556 -0.271 -17.969 1.00 0.00 C ATOM 1108 CE1 PHE A 58 23.516 -0.414 -15.375 1.00 0.00 C ATOM 1109 CE2 PHE A 58 23.378 -0.985 -17.727 1.00 0.00 C ATOM 1110 CZ PHE A 58 22.859 -1.056 -16.430 1.00 0.00 C ATOM 0 H PHE A 58 26.603 3.333 -18.570 1.00 0.00 H new ATOM 0 HA PHE A 58 25.583 2.575 -15.871 1.00 0.00 H new ATOM 0 HB2 PHE A 58 26.674 1.194 -18.260 1.00 0.00 H new ATOM 0 HB3 PHE A 58 27.343 0.608 -16.750 1.00 0.00 H new ATOM 0 HD1 PHE A 58 25.203 0.795 -14.803 1.00 0.00 H new ATOM 0 HD2 PHE A 58 24.957 -0.216 -18.970 1.00 0.00 H new ATOM 0 HE1 PHE A 58 23.114 -0.469 -14.374 1.00 0.00 H new ATOM 0 HE2 PHE A 58 22.870 -1.481 -18.541 1.00 0.00 H new ATOM 0 HZ PHE A 58 21.949 -1.607 -16.243 1.00 0.00 H new ATOM 1111 N LYS A 59 27.845 2.670 -14.618 1.00 0.00 N ATOM 1112 CA LYS A 59 29.131 3.003 -13.915 1.00 0.00 C ATOM 1113 C LYS A 59 30.310 2.387 -14.689 1.00 0.00 C ATOM 1114 O LYS A 59 31.367 3.002 -14.821 1.00 0.00 O ATOM 1115 CB LYS A 59 29.119 2.443 -12.486 1.00 0.00 C ATOM 1116 CG LYS A 59 30.352 2.941 -11.732 1.00 0.00 C ATOM 1117 CD LYS A 59 30.198 2.633 -10.242 1.00 0.00 C ATOM 1118 CE LYS A 59 29.328 3.707 -9.586 1.00 0.00 C ATOM 1119 NZ LYS A 59 30.119 4.961 -9.436 1.00 0.00 N ATOM 0 H LYS A 59 27.118 2.265 -14.027 1.00 0.00 H new ATOM 0 HA LYS A 59 29.238 4.087 -13.871 1.00 0.00 H new ATOM 0 HB2 LYS A 59 28.212 2.757 -11.969 1.00 0.00 H new ATOM 0 HB3 LYS A 59 29.111 1.353 -12.511 1.00 0.00 H new ATOM 0 HG2 LYS A 59 31.249 2.460 -12.123 1.00 0.00 H new ATOM 0 HG3 LYS A 59 30.474 4.014 -11.882 1.00 0.00 H new ATOM 0 HD2 LYS A 59 29.745 1.651 -10.108 1.00 0.00 H new ATOM 0 HD3 LYS A 59 31.177 2.600 -9.763 1.00 0.00 H new ATOM 0 HE2 LYS A 59 28.442 3.893 -10.193 1.00 0.00 H new ATOM 0 HE3 LYS A 59 28.981 3.364 -8.611 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 30.221 5.189 -8.426 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 31.061 4.830 -9.858 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 29.629 5.741 -9.919 1.00 0.00 H new ATOM 1120 N GLU A 60 30.150 1.190 -15.215 1.00 0.00 N ATOM 1121 CA GLU A 60 31.254 0.560 -15.982 1.00 0.00 C ATOM 1122 C GLU A 60 30.715 0.077 -17.338 1.00 0.00 C ATOM 1123 O GLU A 60 29.506 0.057 -17.562 1.00 0.00 O ATOM 1124 CB GLU A 60 31.815 -0.627 -15.197 1.00 0.00 C ATOM 1125 CG GLU A 60 32.322 -0.145 -13.837 1.00 0.00 C ATOM 1126 CD GLU A 60 33.442 -1.069 -13.352 1.00 0.00 C ATOM 1127 OE1 GLU A 60 34.388 -1.264 -14.097 1.00 0.00 O ATOM 1128 OE2 GLU A 60 33.334 -1.564 -12.242 1.00 0.00 O ATOM 0 H GLU A 60 29.300 0.631 -15.141 1.00 0.00 H new ATOM 0 HA GLU A 60 32.049 1.288 -16.143 1.00 0.00 H new ATOM 0 HB2 GLU A 60 31.043 -1.385 -15.062 1.00 0.00 H new ATOM 0 HB3 GLU A 60 32.626 -1.095 -15.755 1.00 0.00 H new ATOM 0 HG2 GLU A 60 32.689 0.878 -13.916 1.00 0.00 H new ATOM 0 HG3 GLU A 60 31.505 -0.136 -13.115 1.00 0.00 H new ATOM 1129 N VAL A 61 31.580 -0.311 -18.247 1.00 0.00 N ATOM 1130 CA VAL A 61 31.096 -0.788 -19.583 1.00 0.00 C ATOM 1131 C VAL A 61 30.515 -2.209 -19.465 1.00 0.00 C ATOM 1132 O VAL A 61 29.570 -2.557 -20.168 1.00 0.00 O ATOM 1133 CB VAL A 61 32.251 -0.794 -20.593 1.00 0.00 C ATOM 1134 CG1 VAL A 61 31.716 -1.155 -21.980 1.00 0.00 C ATOM 1135 CG2 VAL A 61 32.895 0.596 -20.639 1.00 0.00 C ATOM 0 H VAL A 61 32.592 -0.318 -18.123 1.00 0.00 H new ATOM 0 HA VAL A 61 30.317 -0.109 -19.929 1.00 0.00 H new ATOM 0 HB VAL A 61 32.995 -1.530 -20.289 1.00 0.00 H new ATOM 0 HG11 VAL A 61 32.537 -1.159 -22.697 1.00 0.00 H new ATOM 0 HG12 VAL A 61 31.258 -2.144 -21.947 1.00 0.00 H new ATOM 0 HG13 VAL A 61 30.971 -0.420 -22.285 1.00 0.00 H new ATOM 0 HG21 VAL A 61 33.716 0.593 -21.356 1.00 0.00 H new ATOM 0 HG22 VAL A 61 32.151 1.332 -20.942 1.00 0.00 H new ATOM 0 HG23 VAL A 61 33.277 0.853 -19.651 1.00 0.00 H new ATOM 1136 N SER A 62 31.057 -3.042 -18.601 1.00 0.00 N ATOM 1137 CA SER A 62 30.513 -4.435 -18.470 1.00 0.00 C ATOM 1138 C SER A 62 29.025 -4.388 -18.075 1.00 0.00 C ATOM 1139 O SER A 62 28.238 -5.223 -18.512 1.00 0.00 O ATOM 1140 CB SER A 62 31.288 -5.212 -17.398 1.00 0.00 C ATOM 1141 OG SER A 62 30.688 -4.985 -16.129 1.00 0.00 O ATOM 0 H SER A 62 31.842 -2.820 -17.989 1.00 0.00 H new ATOM 0 HA SER A 62 30.622 -4.936 -19.432 1.00 0.00 H new ATOM 0 HB2 SER A 62 31.284 -6.277 -17.630 1.00 0.00 H new ATOM 0 HB3 SER A 62 32.330 -4.893 -17.383 1.00 0.00 H new ATOM 0 HG SER A 62 31.179 -5.481 -15.441 1.00 0.00 H new ATOM 1142 N SER A 63 28.619 -3.443 -17.252 1.00 0.00 N ATOM 1143 CA SER A 63 27.175 -3.383 -16.840 1.00 0.00 C ATOM 1144 C SER A 63 26.274 -3.168 -18.070 1.00 0.00 C ATOM 1145 O SER A 63 25.175 -3.719 -18.144 1.00 0.00 O ATOM 1146 CB SER A 63 26.953 -2.236 -15.848 1.00 0.00 C ATOM 1147 OG SER A 63 27.999 -2.237 -14.884 1.00 0.00 O ATOM 0 H SER A 63 29.217 -2.720 -16.853 1.00 0.00 H new ATOM 0 HA SER A 63 26.917 -4.330 -16.365 1.00 0.00 H new ATOM 0 HB2 SER A 63 26.931 -1.283 -16.376 1.00 0.00 H new ATOM 0 HB3 SER A 63 25.988 -2.349 -15.354 1.00 0.00 H new ATOM 0 HG SER A 63 27.860 -1.503 -14.250 1.00 0.00 H new ATOM 1148 N ALA A 64 26.705 -2.391 -19.043 1.00 0.00 N ATOM 1149 CA ALA A 64 25.849 -2.175 -20.252 1.00 0.00 C ATOM 1150 C ALA A 64 25.879 -3.428 -21.142 1.00 0.00 C ATOM 1151 O ALA A 64 24.932 -3.685 -21.883 1.00 0.00 O ATOM 1152 CB ALA A 64 26.347 -0.961 -21.055 1.00 0.00 C ATOM 0 H ALA A 64 27.601 -1.904 -19.050 1.00 0.00 H new ATOM 0 HA ALA A 64 24.827 -1.985 -19.924 1.00 0.00 H new ATOM 0 HB1 ALA A 64 25.713 -0.819 -21.930 1.00 0.00 H new ATOM 0 HB2 ALA A 64 26.307 -0.069 -20.429 1.00 0.00 H new ATOM 0 HB3 ALA A 64 27.375 -1.133 -21.375 1.00 0.00 H new ATOM 1153 N THR A 65 26.936 -4.218 -21.097 1.00 0.00 N ATOM 1154 CA THR A 65 26.976 -5.441 -21.956 1.00 0.00 C ATOM 1155 C THR A 65 25.908 -6.439 -21.478 1.00 0.00 C ATOM 1156 O THR A 65 25.236 -7.075 -22.288 1.00 0.00 O ATOM 1157 CB THR A 65 28.359 -6.104 -21.887 1.00 0.00 C ATOM 1158 OG1 THR A 65 29.364 -5.101 -21.898 1.00 0.00 O ATOM 1159 CG2 THR A 65 28.545 -7.030 -23.090 1.00 0.00 C ATOM 0 H THR A 65 27.757 -4.067 -20.510 1.00 0.00 H new ATOM 0 HA THR A 65 26.777 -5.150 -22.987 1.00 0.00 H new ATOM 0 HB THR A 65 28.437 -6.687 -20.969 1.00 0.00 H new ATOM 0 HG1 THR A 65 29.028 -4.306 -22.362 1.00 0.00 H new ATOM 0 HG21 THR A 65 29.527 -7.500 -23.039 1.00 0.00 H new ATOM 0 HG22 THR A 65 27.774 -7.800 -23.079 1.00 0.00 H new ATOM 0 HG23 THR A 65 28.467 -6.451 -24.010 1.00 0.00 H new ATOM 1160 N ASN A 66 25.734 -6.594 -20.182 1.00 0.00 N ATOM 1161 CA ASN A 66 24.703 -7.558 -19.679 1.00 0.00 C ATOM 1162 C ASN A 66 23.297 -6.993 -19.931 1.00 0.00 C ATOM 1163 O ASN A 66 22.376 -7.738 -20.252 1.00 0.00 O ATOM 1164 CB ASN A 66 24.889 -7.806 -18.175 1.00 0.00 C ATOM 1165 CG ASN A 66 24.646 -9.289 -17.868 1.00 0.00 C ATOM 1166 OD1 ASN A 66 25.367 -10.207 -18.466 1.00 0.00 O flip ATOM 1167 ND2 ASN A 66 23.778 -9.623 -17.064 1.00 0.00 N flip ATOM 0 H ASN A 66 26.257 -6.099 -19.460 1.00 0.00 H new ATOM 0 HA ASN A 66 24.821 -8.502 -20.212 1.00 0.00 H new ATOM 0 HB2 ASN A 66 25.896 -7.521 -17.870 1.00 0.00 H new ATOM 0 HB3 ASN A 66 24.196 -7.187 -17.605 1.00 0.00 H new ATOM 0 HD21 ASN A 66 23.215 -8.912 -16.597 1.00 0.00 H new ATOM 0 HD22 ASN A 66 23.621 -10.611 -16.864 1.00 0.00 H new ATOM 1168 N ALA A 67 23.103 -5.697 -19.796 1.00 0.00 N ATOM 1169 CA ALA A 67 21.736 -5.122 -20.044 1.00 0.00 C ATOM 1170 C ALA A 67 21.364 -5.228 -21.541 1.00 0.00 C ATOM 1171 O ALA A 67 20.185 -5.210 -21.889 1.00 0.00 O ATOM 1172 CB ALA A 67 21.701 -3.644 -19.626 1.00 0.00 C ATOM 0 H ALA A 67 23.820 -5.022 -19.529 1.00 0.00 H new ATOM 0 HA ALA A 67 21.018 -5.690 -19.453 1.00 0.00 H new ATOM 0 HB1 ALA A 67 20.707 -3.237 -19.810 1.00 0.00 H new ATOM 0 HB2 ALA A 67 21.937 -3.560 -18.565 1.00 0.00 H new ATOM 0 HB3 ALA A 67 22.435 -3.084 -20.206 1.00 0.00 H new ATOM 1173 N LEU A 68 22.327 -5.323 -22.439 1.00 0.00 N ATOM 1174 CA LEU A 68 21.985 -5.411 -23.896 1.00 0.00 C ATOM 1175 C LEU A 68 21.616 -6.858 -24.269 1.00 0.00 C ATOM 1176 O LEU A 68 20.532 -7.115 -24.791 1.00 0.00 O ATOM 1177 CB LEU A 68 23.191 -4.968 -24.737 1.00 0.00 C ATOM 1178 CG LEU A 68 22.780 -4.841 -26.206 1.00 0.00 C ATOM 1179 CD1 LEU A 68 22.491 -3.374 -26.531 1.00 0.00 C ATOM 1180 CD2 LEU A 68 23.917 -5.343 -27.099 1.00 0.00 C ATOM 0 H LEU A 68 23.324 -5.343 -22.224 1.00 0.00 H new ATOM 0 HA LEU A 68 21.134 -4.759 -24.096 1.00 0.00 H new ATOM 0 HB2 LEU A 68 23.570 -4.013 -24.372 1.00 0.00 H new ATOM 0 HB3 LEU A 68 24.001 -5.691 -24.638 1.00 0.00 H new ATOM 0 HG LEU A 68 21.885 -5.437 -26.384 1.00 0.00 H new ATOM 0 HD11 LEU A 68 22.198 -3.284 -27.577 1.00 0.00 H new ATOM 0 HD12 LEU A 68 21.682 -3.013 -25.896 1.00 0.00 H new ATOM 0 HD13 LEU A 68 23.386 -2.779 -26.352 1.00 0.00 H new ATOM 0 HD21 LEU A 68 23.625 -5.253 -28.145 1.00 0.00 H new ATOM 0 HD22 LEU A 68 24.811 -4.746 -26.919 1.00 0.00 H new ATOM 0 HD23 LEU A 68 24.126 -6.388 -26.869 1.00 0.00 H new ATOM 1181 N ARG A 69 22.493 -7.807 -24.023 1.00 0.00 N ATOM 1182 CA ARG A 69 22.172 -9.231 -24.385 1.00 0.00 C ATOM 1183 C ARG A 69 20.987 -9.773 -23.553 1.00 0.00 C ATOM 1184 O ARG A 69 20.385 -10.780 -23.924 1.00 0.00 O ATOM 1185 CB ARG A 69 23.398 -10.125 -24.145 1.00 0.00 C ATOM 1186 CG ARG A 69 24.547 -9.666 -25.048 1.00 0.00 C ATOM 1187 CD ARG A 69 25.766 -10.563 -24.826 1.00 0.00 C ATOM 1188 NE ARG A 69 26.472 -10.771 -26.121 1.00 0.00 N ATOM 1189 CZ ARG A 69 26.864 -11.967 -26.466 1.00 0.00 C ATOM 1190 NH1 ARG A 69 27.589 -12.678 -25.646 1.00 0.00 N ATOM 1191 NH2 ARG A 69 26.528 -12.454 -27.630 1.00 0.00 N ATOM 0 H ARG A 69 23.406 -7.661 -23.593 1.00 0.00 H new ATOM 0 HA ARG A 69 21.896 -9.247 -25.439 1.00 0.00 H new ATOM 0 HB2 ARG A 69 23.700 -10.074 -23.099 1.00 0.00 H new ATOM 0 HB3 ARG A 69 23.150 -11.165 -24.354 1.00 0.00 H new ATOM 0 HG2 ARG A 69 24.239 -9.706 -26.093 1.00 0.00 H new ATOM 0 HG3 ARG A 69 24.802 -8.629 -24.830 1.00 0.00 H new ATOM 0 HD2 ARG A 69 26.440 -10.106 -24.101 1.00 0.00 H new ATOM 0 HD3 ARG A 69 25.455 -11.522 -24.411 1.00 0.00 H new ATOM 0 HE ARG A 69 26.649 -9.979 -26.738 1.00 0.00 H new ATOM 0 HH11 ARG A 69 27.849 -12.299 -24.736 1.00 0.00 H new ATOM 0 HH12 ARG A 69 27.895 -13.613 -25.916 1.00 0.00 H new ATOM 0 HH21 ARG A 69 25.959 -11.900 -28.270 1.00 0.00 H new ATOM 0 HH22 ARG A 69 26.835 -13.389 -27.899 1.00 0.00 H new ATOM 1192 N SER A 70 20.632 -9.151 -22.445 1.00 0.00 N ATOM 1193 CA SER A 70 19.490 -9.675 -21.634 1.00 0.00 C ATOM 1194 C SER A 70 18.174 -9.036 -22.103 1.00 0.00 C ATOM 1195 O SER A 70 17.138 -9.698 -22.152 1.00 0.00 O ATOM 1196 CB SER A 70 19.708 -9.350 -20.153 1.00 0.00 C ATOM 1197 OG SER A 70 20.038 -7.974 -20.019 1.00 0.00 O ATOM 0 H SER A 70 21.081 -8.313 -22.076 1.00 0.00 H new ATOM 0 HA SER A 70 19.436 -10.756 -21.766 1.00 0.00 H new ATOM 0 HB2 SER A 70 18.808 -9.577 -19.582 1.00 0.00 H new ATOM 0 HB3 SER A 70 20.508 -9.969 -19.747 1.00 0.00 H new ATOM 0 HG SER A 70 20.661 -7.858 -19.272 1.00 0.00 H new ATOM 1198 N MET A 71 18.181 -7.765 -22.449 1.00 0.00 N ATOM 1199 CA MET A 71 16.920 -7.115 -22.907 1.00 0.00 C ATOM 1200 C MET A 71 16.956 -6.929 -24.432 1.00 0.00 C ATOM 1201 O MET A 71 16.472 -5.926 -24.952 1.00 0.00 O ATOM 1202 CB MET A 71 16.775 -5.751 -22.230 1.00 0.00 C ATOM 1203 CG MET A 71 16.304 -5.945 -20.787 1.00 0.00 C ATOM 1204 SD MET A 71 15.760 -4.357 -20.109 1.00 0.00 S ATOM 1205 CE MET A 71 13.997 -4.751 -19.997 1.00 0.00 C ATOM 0 H MET A 71 19.002 -7.160 -22.432 1.00 0.00 H new ATOM 0 HA MET A 71 16.072 -7.746 -22.641 1.00 0.00 H new ATOM 0 HB2 MET A 71 17.728 -5.223 -22.245 1.00 0.00 H new ATOM 0 HB3 MET A 71 16.061 -5.136 -22.777 1.00 0.00 H new ATOM 0 HG2 MET A 71 15.487 -6.665 -20.754 1.00 0.00 H new ATOM 0 HG3 MET A 71 17.113 -6.353 -20.181 1.00 0.00 H new ATOM 0 HE1 MET A 71 13.448 -3.871 -19.662 1.00 0.00 H new ATOM 0 HE2 MET A 71 13.630 -5.057 -20.977 1.00 0.00 H new ATOM 0 HE3 MET A 71 13.850 -5.563 -19.285 1.00 0.00 H new ATOM 1206 N GLN A 72 17.511 -7.872 -25.166 1.00 0.00 N ATOM 1207 CA GLN A 72 17.553 -7.720 -26.656 1.00 0.00 C ATOM 1208 C GLN A 72 16.130 -7.855 -27.212 1.00 0.00 C ATOM 1209 O GLN A 72 15.642 -8.963 -27.430 1.00 0.00 O ATOM 1210 CB GLN A 72 18.447 -8.802 -27.282 1.00 0.00 C ATOM 1211 CG GLN A 72 19.832 -8.220 -27.580 1.00 0.00 C ATOM 1212 CD GLN A 72 19.913 -7.819 -29.058 1.00 0.00 C ATOM 1213 OE1 GLN A 72 20.151 -8.664 -29.919 1.00 0.00 O ATOM 1214 NE2 GLN A 72 19.729 -6.569 -29.409 1.00 0.00 N ATOM 0 H GLN A 72 17.930 -8.727 -24.801 1.00 0.00 H new ATOM 0 HA GLN A 72 17.963 -6.741 -26.902 1.00 0.00 H new ATOM 0 HB2 GLN A 72 18.537 -9.650 -26.603 1.00 0.00 H new ATOM 0 HB3 GLN A 72 17.994 -9.175 -28.200 1.00 0.00 H new ATOM 0 HG2 GLN A 72 20.017 -7.353 -26.947 1.00 0.00 H new ATOM 0 HG3 GLN A 72 20.604 -8.954 -27.349 1.00 0.00 H new ATOM 0 HE21 GLN A 72 19.531 -5.864 -28.699 1.00 0.00 H new ATOM 0 HE22 GLN A 72 19.784 -6.302 -30.392 1.00 0.00 H new ATOM 1215 N GLY A 73 15.445 -6.756 -27.444 1.00 0.00 N ATOM 1216 CA GLY A 73 14.055 -6.844 -27.977 1.00 0.00 C ATOM 1217 C GLY A 73 13.109 -7.296 -26.856 1.00 0.00 C ATOM 1218 O GLY A 73 12.683 -8.449 -26.819 1.00 0.00 O ATOM 0 H GLY A 73 15.791 -5.810 -27.286 1.00 0.00 H new ATOM 0 HA2 GLY A 73 13.740 -5.875 -28.365 1.00 0.00 H new ATOM 0 HA3 GLY A 73 14.016 -7.549 -28.808 1.00 0.00 H new ATOM 1219 N PHE A 74 12.773 -6.418 -25.933 1.00 0.00 N ATOM 1220 CA PHE A 74 11.861 -6.820 -24.823 1.00 0.00 C ATOM 1221 C PHE A 74 10.593 -5.948 -24.850 1.00 0.00 C ATOM 1222 O PHE A 74 10.569 -4.921 -25.527 1.00 0.00 O ATOM 1223 CB PHE A 74 12.577 -6.633 -23.484 1.00 0.00 C ATOM 1224 CG PHE A 74 13.133 -7.958 -23.018 1.00 0.00 C ATOM 1225 CD1 PHE A 74 13.975 -8.699 -23.857 1.00 0.00 C ATOM 1226 CD2 PHE A 74 12.808 -8.445 -21.746 1.00 0.00 C ATOM 1227 CE1 PHE A 74 14.489 -9.927 -23.424 1.00 0.00 C ATOM 1228 CE2 PHE A 74 13.322 -9.672 -21.314 1.00 0.00 C ATOM 1229 CZ PHE A 74 14.163 -10.413 -22.153 1.00 0.00 C ATOM 0 H PHE A 74 13.092 -5.449 -25.906 1.00 0.00 H new ATOM 0 HA PHE A 74 11.582 -7.866 -24.947 1.00 0.00 H new ATOM 0 HB2 PHE A 74 13.382 -5.906 -23.589 1.00 0.00 H new ATOM 0 HB3 PHE A 74 11.884 -6.236 -22.742 1.00 0.00 H new ATOM 0 HD1 PHE A 74 14.228 -8.323 -24.837 1.00 0.00 H new ATOM 0 HD2 PHE A 74 12.160 -7.873 -21.098 1.00 0.00 H new ATOM 0 HE1 PHE A 74 15.137 -10.499 -24.071 1.00 0.00 H new ATOM 0 HE2 PHE A 74 13.070 -10.048 -20.333 1.00 0.00 H new ATOM 0 HZ PHE A 74 14.560 -11.360 -21.819 1.00 0.00 H new ATOM 1230 N PRO A 75 9.566 -6.362 -24.124 1.00 0.00 N ATOM 1231 CA PRO A 75 8.296 -5.615 -24.067 1.00 0.00 C ATOM 1232 C PRO A 75 8.418 -4.415 -23.112 1.00 0.00 C ATOM 1233 O PRO A 75 8.584 -4.584 -21.905 1.00 0.00 O ATOM 1234 CB PRO A 75 7.295 -6.639 -23.524 1.00 0.00 C ATOM 1235 CG PRO A 75 8.124 -7.707 -22.772 1.00 0.00 C ATOM 1236 CD PRO A 75 9.565 -7.601 -23.302 1.00 0.00 C ATOM 0 HA PRO A 75 8.000 -5.207 -25.033 1.00 0.00 H new ATOM 0 HB2 PRO A 75 6.577 -6.163 -22.856 1.00 0.00 H new ATOM 0 HB3 PRO A 75 6.724 -7.091 -24.335 1.00 0.00 H new ATOM 0 HG2 PRO A 75 8.093 -7.534 -21.696 1.00 0.00 H new ATOM 0 HG3 PRO A 75 7.720 -8.704 -22.946 1.00 0.00 H new ATOM 0 HD2 PRO A 75 10.285 -7.537 -22.486 1.00 0.00 H new ATOM 0 HD3 PRO A 75 9.835 -8.473 -23.897 1.00 0.00 H new ATOM 1237 N PHE A 76 8.335 -3.205 -23.622 1.00 0.00 N ATOM 1238 CA PHE A 76 8.443 -2.010 -22.740 1.00 0.00 C ATOM 1239 C PHE A 76 7.534 -0.897 -23.288 1.00 0.00 C ATOM 1240 O PHE A 76 7.569 -0.590 -24.477 1.00 0.00 O ATOM 1241 CB PHE A 76 9.896 -1.522 -22.722 1.00 0.00 C ATOM 1242 CG PHE A 76 10.284 -1.112 -21.319 1.00 0.00 C ATOM 1243 CD1 PHE A 76 10.079 -1.991 -20.248 1.00 0.00 C ATOM 1244 CD2 PHE A 76 10.853 0.147 -21.090 1.00 0.00 C ATOM 1245 CE1 PHE A 76 10.443 -1.611 -18.951 1.00 0.00 C ATOM 1246 CE2 PHE A 76 11.217 0.527 -19.792 1.00 0.00 C ATOM 1247 CZ PHE A 76 11.012 -0.353 -18.722 1.00 0.00 C ATOM 0 H PHE A 76 8.197 -3.001 -24.612 1.00 0.00 H new ATOM 0 HA PHE A 76 8.136 -2.269 -21.727 1.00 0.00 H new ATOM 0 HB2 PHE A 76 10.558 -2.312 -23.076 1.00 0.00 H new ATOM 0 HB3 PHE A 76 10.014 -0.679 -23.402 1.00 0.00 H new ATOM 0 HD1 PHE A 76 9.640 -2.962 -20.423 1.00 0.00 H new ATOM 0 HD2 PHE A 76 11.011 0.826 -21.915 1.00 0.00 H new ATOM 0 HE1 PHE A 76 10.285 -2.289 -18.126 1.00 0.00 H new ATOM 0 HE2 PHE A 76 11.656 1.498 -19.616 1.00 0.00 H new ATOM 0 HZ PHE A 76 11.293 -0.061 -17.721 1.00 0.00 H new ATOM 1248 N TYR A 77 6.722 -0.290 -22.451 1.00 0.00 N ATOM 1249 CA TYR A 77 5.824 0.799 -22.932 1.00 0.00 C ATOM 1250 C TYR A 77 4.872 0.254 -24.010 1.00 0.00 C ATOM 1251 O TYR A 77 4.572 0.936 -24.989 1.00 0.00 O ATOM 1252 CB TYR A 77 6.663 1.950 -23.500 1.00 0.00 C ATOM 1253 CG TYR A 77 7.301 2.704 -22.358 1.00 0.00 C ATOM 1254 CD1 TYR A 77 8.160 2.039 -21.478 1.00 0.00 C ATOM 1255 CD2 TYR A 77 7.026 4.062 -22.170 1.00 0.00 C ATOM 1256 CE1 TYR A 77 8.743 2.726 -20.414 1.00 0.00 C ATOM 1257 CE2 TYR A 77 7.613 4.756 -21.104 1.00 0.00 C ATOM 1258 CZ TYR A 77 8.471 4.085 -20.225 1.00 0.00 C ATOM 1259 OH TYR A 77 9.041 4.758 -19.168 1.00 0.00 O ATOM 0 H TYR A 77 6.646 -0.505 -21.457 1.00 0.00 H new ATOM 0 HA TYR A 77 5.232 1.172 -22.096 1.00 0.00 H new ATOM 0 HB2 TYR A 77 7.430 1.562 -24.170 1.00 0.00 H new ATOM 0 HB3 TYR A 77 6.035 2.619 -24.088 1.00 0.00 H new ATOM 0 HD1 TYR A 77 8.373 0.990 -21.623 1.00 0.00 H new ATOM 0 HD2 TYR A 77 6.360 4.576 -22.847 1.00 0.00 H new ATOM 0 HE1 TYR A 77 9.405 2.209 -19.735 1.00 0.00 H new ATOM 0 HE2 TYR A 77 7.404 5.806 -20.961 1.00 0.00 H new ATOM 0 HH TYR A 77 8.347 5.249 -18.681 1.00 0.00 H new ATOM 1260 N ASP A 78 4.375 -0.956 -23.849 1.00 0.00 N ATOM 1261 CA ASP A 78 3.434 -1.526 -24.859 1.00 0.00 C ATOM 1262 C ASP A 78 4.042 -1.447 -26.271 1.00 0.00 C ATOM 1263 O ASP A 78 3.498 -0.786 -27.155 1.00 0.00 O ATOM 1264 CB ASP A 78 2.121 -0.739 -24.823 1.00 0.00 C ATOM 1265 CG ASP A 78 1.482 -0.877 -23.439 1.00 0.00 C ATOM 1266 OD1 ASP A 78 1.937 -0.202 -22.530 1.00 0.00 O ATOM 1267 OD2 ASP A 78 0.550 -1.653 -23.314 1.00 0.00 O ATOM 0 H ASP A 78 4.584 -1.568 -23.060 1.00 0.00 H new ATOM 0 HA ASP A 78 3.249 -2.573 -24.619 1.00 0.00 H new ATOM 0 HB2 ASP A 78 2.308 0.311 -25.046 1.00 0.00 H new ATOM 0 HB3 ASP A 78 1.440 -1.111 -25.589 1.00 0.00 H new ATOM 1268 N LYS A 79 5.156 -2.111 -26.513 1.00 0.00 N ATOM 1269 CA LYS A 79 5.770 -2.064 -27.885 1.00 0.00 C ATOM 1270 C LYS A 79 7.104 -2.840 -27.894 1.00 0.00 C ATOM 1271 O LYS A 79 7.782 -2.895 -26.874 1.00 0.00 O ATOM 1272 CB LYS A 79 6.029 -0.601 -28.284 1.00 0.00 C ATOM 1273 CG LYS A 79 5.153 -0.225 -29.483 1.00 0.00 C ATOM 1274 CD LYS A 79 5.198 1.290 -29.694 1.00 0.00 C ATOM 1275 CE LYS A 79 5.151 1.599 -31.193 1.00 0.00 C ATOM 1276 NZ LYS A 79 3.732 1.690 -31.637 1.00 0.00 N ATOM 0 H LYS A 79 5.660 -2.676 -25.829 1.00 0.00 H new ATOM 0 HA LYS A 79 5.083 -2.522 -28.597 1.00 0.00 H new ATOM 0 HB2 LYS A 79 5.812 0.058 -27.443 1.00 0.00 H new ATOM 0 HB3 LYS A 79 7.081 -0.464 -28.534 1.00 0.00 H new ATOM 0 HG2 LYS A 79 5.504 -0.738 -30.378 1.00 0.00 H new ATOM 0 HG3 LYS A 79 4.126 -0.549 -29.312 1.00 0.00 H new ATOM 0 HD2 LYS A 79 4.357 1.763 -29.188 1.00 0.00 H new ATOM 0 HD3 LYS A 79 6.107 1.702 -29.255 1.00 0.00 H new ATOM 0 HE2 LYS A 79 5.668 2.536 -31.398 1.00 0.00 H new ATOM 0 HE3 LYS A 79 5.669 0.820 -31.752 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 3.700 1.900 -32.655 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 3.252 0.785 -31.455 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 3.252 2.448 -31.112 1.00 0.00 H new ATOM 1277 N PRO A 80 7.465 -3.417 -29.028 1.00 0.00 N ATOM 1278 CA PRO A 80 8.724 -4.175 -29.141 1.00 0.00 C ATOM 1279 C PRO A 80 9.907 -3.204 -29.268 1.00 0.00 C ATOM 1280 O PRO A 80 9.930 -2.361 -30.164 1.00 0.00 O ATOM 1281 CB PRO A 80 8.545 -4.995 -30.421 1.00 0.00 C ATOM 1282 CG PRO A 80 7.474 -4.261 -31.263 1.00 0.00 C ATOM 1283 CD PRO A 80 6.680 -3.372 -30.287 1.00 0.00 C ATOM 0 HA PRO A 80 8.931 -4.803 -28.275 1.00 0.00 H new ATOM 0 HB2 PRO A 80 9.485 -5.071 -30.968 1.00 0.00 H new ATOM 0 HB3 PRO A 80 8.228 -6.012 -30.190 1.00 0.00 H new ATOM 0 HG2 PRO A 80 7.940 -3.659 -32.043 1.00 0.00 H new ATOM 0 HG3 PRO A 80 6.816 -4.974 -31.760 1.00 0.00 H new ATOM 0 HD2 PRO A 80 6.588 -2.353 -30.662 1.00 0.00 H new ATOM 0 HD3 PRO A 80 5.668 -3.749 -30.139 1.00 0.00 H new ATOM 1284 N MET A 81 10.885 -3.289 -28.391 1.00 0.00 N ATOM 1285 CA MET A 81 12.041 -2.348 -28.484 1.00 0.00 C ATOM 1286 C MET A 81 13.366 -3.126 -28.487 1.00 0.00 C ATOM 1287 O MET A 81 13.703 -3.809 -27.520 1.00 0.00 O ATOM 1288 CB MET A 81 12.018 -1.369 -27.300 1.00 0.00 C ATOM 1289 CG MET A 81 11.792 -2.123 -25.985 1.00 0.00 C ATOM 1290 SD MET A 81 12.548 -1.199 -24.623 1.00 0.00 S ATOM 1291 CE MET A 81 13.563 -2.546 -23.967 1.00 0.00 C ATOM 0 H MET A 81 10.929 -3.962 -27.626 1.00 0.00 H new ATOM 0 HA MET A 81 11.959 -1.788 -29.416 1.00 0.00 H new ATOM 0 HB2 MET A 81 12.959 -0.821 -27.255 1.00 0.00 H new ATOM 0 HB3 MET A 81 11.227 -0.633 -27.444 1.00 0.00 H new ATOM 0 HG2 MET A 81 10.725 -2.250 -25.805 1.00 0.00 H new ATOM 0 HG3 MET A 81 12.225 -3.121 -26.046 1.00 0.00 H new ATOM 0 HE1 MET A 81 14.126 -2.190 -23.104 1.00 0.00 H new ATOM 0 HE2 MET A 81 12.920 -3.373 -23.665 1.00 0.00 H new ATOM 0 HE3 MET A 81 14.256 -2.887 -24.736 1.00 0.00 H new ATOM 1292 N ARG A 82 14.138 -3.023 -29.549 1.00 0.00 N ATOM 1293 CA ARG A 82 15.446 -3.743 -29.589 1.00 0.00 C ATOM 1294 C ARG A 82 16.530 -2.804 -29.046 1.00 0.00 C ATOM 1295 O ARG A 82 16.506 -1.603 -29.315 1.00 0.00 O ATOM 1296 CB ARG A 82 15.785 -4.137 -31.031 1.00 0.00 C ATOM 1297 CG ARG A 82 15.023 -5.410 -31.405 1.00 0.00 C ATOM 1298 CD ARG A 82 14.701 -5.392 -32.901 1.00 0.00 C ATOM 1299 NE ARG A 82 15.944 -5.648 -33.681 1.00 0.00 N ATOM 1300 CZ ARG A 82 16.797 -4.681 -33.885 1.00 0.00 C ATOM 1301 NH1 ARG A 82 16.376 -3.516 -34.299 1.00 0.00 N ATOM 1302 NH2 ARG A 82 18.070 -4.879 -33.678 1.00 0.00 N ATOM 0 H ARG A 82 13.917 -2.475 -30.380 1.00 0.00 H new ATOM 0 HA ARG A 82 15.389 -4.648 -28.984 1.00 0.00 H new ATOM 0 HB2 ARG A 82 15.520 -3.328 -31.712 1.00 0.00 H new ATOM 0 HB3 ARG A 82 16.858 -4.300 -31.132 1.00 0.00 H new ATOM 0 HG2 ARG A 82 15.620 -6.289 -31.161 1.00 0.00 H new ATOM 0 HG3 ARG A 82 14.103 -5.479 -30.825 1.00 0.00 H new ATOM 0 HD2 ARG A 82 13.952 -6.150 -33.132 1.00 0.00 H new ATOM 0 HD3 ARG A 82 14.276 -4.428 -33.181 1.00 0.00 H new ATOM 0 HE ARG A 82 16.129 -6.579 -34.056 1.00 0.00 H new ATOM 0 HH11 ARG A 82 15.381 -3.362 -34.463 1.00 0.00 H new ATOM 0 HH12 ARG A 82 17.042 -2.760 -34.458 1.00 0.00 H new ATOM 0 HH21 ARG A 82 18.399 -5.790 -33.357 1.00 0.00 H new ATOM 0 HH22 ARG A 82 18.736 -4.123 -33.837 1.00 0.00 H new ATOM 1303 N ILE A 83 17.472 -3.307 -28.281 1.00 0.00 N ATOM 1304 CA ILE A 83 18.527 -2.408 -27.730 1.00 0.00 C ATOM 1305 C ILE A 83 19.803 -2.499 -28.578 1.00 0.00 C ATOM 1306 O ILE A 83 20.247 -3.585 -28.944 1.00 0.00 O ATOM 1307 CB ILE A 83 18.856 -2.807 -26.291 1.00 0.00 C ATOM 1308 CG1 ILE A 83 17.575 -2.814 -25.455 1.00 0.00 C ATOM 1309 CG2 ILE A 83 19.844 -1.797 -25.698 1.00 0.00 C ATOM 1310 CD1 ILE A 83 17.886 -3.340 -24.052 1.00 0.00 C ATOM 0 H ILE A 83 17.552 -4.290 -28.019 1.00 0.00 H new ATOM 0 HA ILE A 83 18.151 -1.385 -27.751 1.00 0.00 H new ATOM 0 HB ILE A 83 19.300 -3.803 -26.283 1.00 0.00 H new ATOM 0 HG12 ILE A 83 17.162 -1.807 -25.394 1.00 0.00 H new ATOM 0 HG13 ILE A 83 16.820 -3.440 -25.931 1.00 0.00 H new ATOM 0 HG21 ILE A 83 20.081 -2.079 -24.672 1.00 0.00 H new ATOM 0 HG22 ILE A 83 20.758 -1.790 -26.292 1.00 0.00 H new ATOM 0 HG23 ILE A 83 19.397 -0.803 -25.707 1.00 0.00 H new ATOM 0 HD11 ILE A 83 16.974 -3.346 -23.455 1.00 0.00 H new ATOM 0 HD12 ILE A 83 18.280 -4.354 -24.123 1.00 0.00 H new ATOM 0 HD13 ILE A 83 18.626 -2.696 -23.578 1.00 0.00 H new ATOM 1311 N GLN A 84 20.419 -1.377 -28.871 1.00 0.00 N ATOM 1312 CA GLN A 84 21.679 -1.393 -29.662 1.00 0.00 C ATOM 1313 C GLN A 84 22.710 -0.546 -28.910 1.00 0.00 C ATOM 1314 O GLN A 84 22.395 0.548 -28.452 1.00 0.00 O ATOM 1315 CB GLN A 84 21.446 -0.789 -31.051 1.00 0.00 C ATOM 1316 CG GLN A 84 20.187 -1.389 -31.688 1.00 0.00 C ATOM 1317 CD GLN A 84 19.030 -0.385 -31.586 1.00 0.00 C ATOM 1318 OE1 GLN A 84 17.967 -0.715 -31.065 1.00 0.00 O ATOM 1319 NE2 GLN A 84 19.172 0.831 -32.058 1.00 0.00 N ATOM 0 H GLN A 84 20.097 -0.450 -28.592 1.00 0.00 H new ATOM 0 HA GLN A 84 22.028 -2.418 -29.786 1.00 0.00 H new ATOM 0 HB2 GLN A 84 21.341 0.293 -30.972 1.00 0.00 H new ATOM 0 HB3 GLN A 84 22.310 -0.980 -31.688 1.00 0.00 H new ATOM 0 HG2 GLN A 84 20.378 -1.635 -32.733 1.00 0.00 H new ATOM 0 HG3 GLN A 84 19.921 -2.319 -31.185 1.00 0.00 H new ATOM 0 HE21 GLN A 84 20.052 1.110 -32.491 1.00 0.00 H new ATOM 0 HE22 GLN A 84 18.402 1.497 -31.991 1.00 0.00 H new ATOM 1320 N TYR A 85 23.931 -1.017 -28.758 1.00 0.00 N ATOM 1321 CA TYR A 85 24.952 -0.203 -28.010 1.00 0.00 C ATOM 1322 C TYR A 85 24.993 1.229 -28.576 1.00 0.00 C ATOM 1323 O TYR A 85 24.338 1.528 -29.574 1.00 0.00 O ATOM 1324 CB TYR A 85 26.343 -0.844 -28.134 1.00 0.00 C ATOM 1325 CG TYR A 85 26.728 -1.506 -26.827 1.00 0.00 C ATOM 1326 CD1 TYR A 85 26.641 -0.796 -25.619 1.00 0.00 C ATOM 1327 CD2 TYR A 85 27.188 -2.828 -26.826 1.00 0.00 C ATOM 1328 CE1 TYR A 85 27.013 -1.408 -24.420 1.00 0.00 C ATOM 1329 CE2 TYR A 85 27.564 -3.438 -25.622 1.00 0.00 C ATOM 1330 CZ TYR A 85 27.475 -2.727 -24.420 1.00 0.00 C ATOM 1331 OH TYR A 85 27.849 -3.324 -23.237 1.00 0.00 O ATOM 0 H TYR A 85 24.261 -1.915 -29.113 1.00 0.00 H new ATOM 0 HA TYR A 85 24.670 -0.171 -26.958 1.00 0.00 H new ATOM 0 HB2 TYR A 85 26.343 -1.580 -28.938 1.00 0.00 H new ATOM 0 HB3 TYR A 85 27.080 -0.085 -28.397 1.00 0.00 H new ATOM 0 HD1 TYR A 85 26.286 0.224 -25.617 1.00 0.00 H new ATOM 0 HD2 TYR A 85 27.253 -3.378 -27.753 1.00 0.00 H new ATOM 0 HE1 TYR A 85 26.944 -0.861 -23.491 1.00 0.00 H new ATOM 0 HE2 TYR A 85 27.922 -4.457 -25.622 1.00 0.00 H new ATOM 0 HH TYR A 85 28.250 -2.654 -22.645 1.00 0.00 H new ATOM 1332 N ALA A 86 25.733 2.124 -27.959 1.00 0.00 N ATOM 1333 CA ALA A 86 25.786 3.524 -28.470 1.00 0.00 C ATOM 1334 C ALA A 86 27.016 3.707 -29.369 1.00 0.00 C ATOM 1335 O ALA A 86 27.952 2.910 -29.325 1.00 0.00 O ATOM 1336 CB ALA A 86 25.867 4.501 -27.292 1.00 0.00 C ATOM 0 H ALA A 86 26.297 1.942 -27.129 1.00 0.00 H new ATOM 0 HA ALA A 86 24.884 3.724 -29.049 1.00 0.00 H new ATOM 0 HB1 ALA A 86 25.906 5.523 -27.669 1.00 0.00 H new ATOM 0 HB2 ALA A 86 24.988 4.381 -26.659 1.00 0.00 H new ATOM 0 HB3 ALA A 86 26.765 4.295 -26.710 1.00 0.00 H new ATOM 1337 N LYS A 87 27.043 4.743 -30.181 1.00 0.00 N ATOM 1338 CA LYS A 87 28.227 4.958 -31.069 1.00 0.00 C ATOM 1339 C LYS A 87 29.358 5.610 -30.256 1.00 0.00 C ATOM 1340 O LYS A 87 30.509 5.182 -30.325 1.00 0.00 O ATOM 1341 CB LYS A 87 27.853 5.870 -32.244 1.00 0.00 C ATOM 1342 CG LYS A 87 26.656 5.276 -32.989 1.00 0.00 C ATOM 1343 CD LYS A 87 25.930 6.384 -33.756 1.00 0.00 C ATOM 1344 CE LYS A 87 24.793 5.775 -34.579 1.00 0.00 C ATOM 1345 NZ LYS A 87 25.365 4.958 -35.688 1.00 0.00 N ATOM 0 H LYS A 87 26.303 5.440 -30.264 1.00 0.00 H new ATOM 0 HA LYS A 87 28.557 3.996 -31.461 1.00 0.00 H new ATOM 0 HB2 LYS A 87 27.610 6.868 -31.880 1.00 0.00 H new ATOM 0 HB3 LYS A 87 28.701 5.975 -32.921 1.00 0.00 H new ATOM 0 HG2 LYS A 87 26.991 4.502 -33.679 1.00 0.00 H new ATOM 0 HG3 LYS A 87 25.974 4.801 -32.283 1.00 0.00 H new ATOM 0 HD2 LYS A 87 25.534 7.123 -33.060 1.00 0.00 H new ATOM 0 HD3 LYS A 87 26.628 6.905 -34.411 1.00 0.00 H new ATOM 0 HE2 LYS A 87 24.162 5.154 -33.943 1.00 0.00 H new ATOM 0 HE3 LYS A 87 24.159 6.564 -34.984 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 24.647 4.827 -36.429 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 26.191 5.447 -36.089 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 25.657 4.030 -35.321 1.00 0.00 H new ATOM 1346 N THR A 88 29.058 6.633 -29.485 1.00 0.00 N ATOM 1347 CA THR A 88 30.122 7.293 -28.676 1.00 0.00 C ATOM 1348 C THR A 88 29.938 6.918 -27.198 1.00 0.00 C ATOM 1349 O THR A 88 29.019 6.179 -26.850 1.00 0.00 O ATOM 1350 CB THR A 88 30.019 8.811 -28.838 1.00 0.00 C ATOM 1351 OG1 THR A 88 28.656 9.204 -28.752 1.00 0.00 O ATOM 1352 CG2 THR A 88 30.584 9.220 -30.199 1.00 0.00 C ATOM 0 H THR A 88 28.125 7.033 -29.385 1.00 0.00 H new ATOM 0 HA THR A 88 31.102 6.961 -29.017 1.00 0.00 H new ATOM 0 HB THR A 88 30.589 9.300 -28.048 1.00 0.00 H new ATOM 0 HG1 THR A 88 28.589 10.176 -28.854 1.00 0.00 H new ATOM 0 HG21 THR A 88 30.510 10.301 -30.313 1.00 0.00 H new ATOM 0 HG22 THR A 88 31.629 8.919 -30.264 1.00 0.00 H new ATOM 0 HG23 THR A 88 30.016 8.732 -30.991 1.00 0.00 H new ATOM 1353 N ASP A 89 30.787 7.406 -26.317 1.00 0.00 N ATOM 1354 CA ASP A 89 30.632 7.059 -24.873 1.00 0.00 C ATOM 1355 C ASP A 89 29.929 8.203 -24.137 1.00 0.00 C ATOM 1356 O ASP A 89 29.591 9.224 -24.734 1.00 0.00 O ATOM 1357 CB ASP A 89 32.008 6.827 -24.243 1.00 0.00 C ATOM 1358 CG ASP A 89 32.714 5.677 -24.962 1.00 0.00 C ATOM 1359 OD1 ASP A 89 33.249 5.913 -26.033 1.00 0.00 O ATOM 1360 OD2 ASP A 89 32.708 4.579 -24.429 1.00 0.00 O ATOM 0 H ASP A 89 31.570 8.022 -26.537 1.00 0.00 H new ATOM 0 HA ASP A 89 30.036 6.150 -24.791 1.00 0.00 H new ATOM 0 HB2 ASP A 89 32.608 7.735 -24.311 1.00 0.00 H new ATOM 0 HB3 ASP A 89 31.900 6.595 -23.184 1.00 0.00 H new ATOM 1361 N SER A 90 29.702 8.060 -22.849 1.00 0.00 N ATOM 1362 CA SER A 90 29.021 9.154 -22.091 1.00 0.00 C ATOM 1363 C SER A 90 30.044 10.243 -21.745 1.00 0.00 C ATOM 1364 O SER A 90 31.218 9.955 -21.518 1.00 0.00 O ATOM 1365 CB SER A 90 28.409 8.601 -20.799 1.00 0.00 C ATOM 1366 OG SER A 90 27.272 9.379 -20.450 1.00 0.00 O ATOM 0 H SER A 90 29.957 7.240 -22.298 1.00 0.00 H new ATOM 0 HA SER A 90 28.227 9.574 -22.708 1.00 0.00 H new ATOM 0 HB2 SER A 90 28.123 7.558 -20.935 1.00 0.00 H new ATOM 0 HB3 SER A 90 29.144 8.627 -19.994 1.00 0.00 H new ATOM 0 HG SER A 90 27.562 10.268 -20.157 1.00 0.00 H new ATOM 1367 N ASP A 91 29.628 11.490 -21.697 1.00 0.00 N ATOM 1368 CA ASP A 91 30.598 12.583 -21.363 1.00 0.00 C ATOM 1369 C ASP A 91 30.971 12.549 -19.866 1.00 0.00 C ATOM 1370 O ASP A 91 32.029 13.046 -19.483 1.00 0.00 O ATOM 1371 CB ASP A 91 29.988 13.951 -21.695 1.00 0.00 C ATOM 1372 CG ASP A 91 31.107 14.950 -21.994 1.00 0.00 C ATOM 1373 OD1 ASP A 91 31.661 15.489 -21.050 1.00 0.00 O ATOM 1374 OD2 ASP A 91 31.392 15.159 -23.162 1.00 0.00 O ATOM 0 H ASP A 91 28.670 11.794 -21.873 1.00 0.00 H new ATOM 0 HA ASP A 91 31.498 12.426 -21.958 1.00 0.00 H new ATOM 0 HB2 ASP A 91 29.323 13.866 -22.555 1.00 0.00 H new ATOM 0 HB3 ASP A 91 29.384 14.304 -20.859 1.00 0.00 H new ATOM 1375 N ILE A 92 30.139 11.991 -19.003 1.00 0.00 N ATOM 1376 CA ILE A 92 30.493 11.970 -17.550 1.00 0.00 C ATOM 1377 C ILE A 92 31.681 11.020 -17.311 1.00 0.00 C ATOM 1378 O ILE A 92 32.584 11.343 -16.540 1.00 0.00 O ATOM 1379 CB ILE A 92 29.273 11.548 -16.708 1.00 0.00 C ATOM 1380 CG1 ILE A 92 28.924 10.080 -16.961 1.00 0.00 C ATOM 1381 CG2 ILE A 92 28.072 12.414 -17.087 1.00 0.00 C ATOM 1382 CD1 ILE A 92 27.844 9.637 -15.981 1.00 0.00 C ATOM 0 H ILE A 92 29.247 11.558 -19.244 1.00 0.00 H new ATOM 0 HA ILE A 92 30.787 12.973 -17.241 1.00 0.00 H new ATOM 0 HB ILE A 92 29.517 11.679 -15.654 1.00 0.00 H new ATOM 0 HG12 ILE A 92 28.576 9.950 -17.986 1.00 0.00 H new ATOM 0 HG13 ILE A 92 29.812 9.459 -16.845 1.00 0.00 H new ATOM 0 HG21 ILE A 92 27.208 12.117 -16.493 1.00 0.00 H new ATOM 0 HG22 ILE A 92 28.303 13.461 -16.894 1.00 0.00 H new ATOM 0 HG23 ILE A 92 27.847 12.281 -18.145 1.00 0.00 H new ATOM 0 HD11 ILE A 92 27.596 8.591 -16.162 1.00 0.00 H new ATOM 0 HD12 ILE A 92 28.209 9.752 -14.961 1.00 0.00 H new ATOM 0 HD13 ILE A 92 26.954 10.250 -16.119 1.00 0.00 H new ATOM 1383 N ILE A 93 31.725 9.870 -17.959 1.00 0.00 N ATOM 1384 CA ILE A 93 32.873 8.962 -17.754 1.00 0.00 C ATOM 1385 C ILE A 93 34.011 9.323 -18.742 1.00 0.00 C ATOM 1386 O ILE A 93 35.049 8.663 -18.754 1.00 0.00 O ATOM 1387 CB ILE A 93 32.457 7.449 -17.872 1.00 0.00 C ATOM 1388 CG1 ILE A 93 32.962 6.772 -19.162 1.00 0.00 C ATOM 1389 CG2 ILE A 93 30.948 7.223 -17.790 1.00 0.00 C ATOM 1390 CD1 ILE A 93 32.401 7.500 -20.381 1.00 0.00 C ATOM 0 H ILE A 93 31.015 9.538 -18.612 1.00 0.00 H new ATOM 0 HA ILE A 93 33.240 9.098 -16.737 1.00 0.00 H new ATOM 0 HB ILE A 93 32.940 6.992 -17.008 1.00 0.00 H new ATOM 0 HG12 ILE A 93 34.052 6.786 -19.188 1.00 0.00 H new ATOM 0 HG13 ILE A 93 32.656 5.726 -19.179 1.00 0.00 H new ATOM 0 HG21 ILE A 93 30.734 6.158 -17.879 1.00 0.00 H new ATOM 0 HG22 ILE A 93 30.577 7.589 -16.833 1.00 0.00 H new ATOM 0 HG23 ILE A 93 30.455 7.760 -18.600 1.00 0.00 H new ATOM 0 HD11 ILE A 93 32.761 7.018 -21.290 1.00 0.00 H new ATOM 0 HD12 ILE A 93 31.312 7.463 -20.357 1.00 0.00 H new ATOM 0 HD13 ILE A 93 32.729 8.539 -20.367 1.00 0.00 H new