USER MOD reduce.3.24.130724 H: found=0, std=0, add=736, rem=0, adj=19 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 14 ASN : amide:sc= -0.494 K(o=-2,f=-4.3!) USER MOD Set 1.2: A 84 GLN : amide:sc= -1.47 X(o=-2,f=-1.9!) USER MOD Set 2.1: A 15 ASN : amide:sc= -0.605 K(o=-0.62,f=-2.6!) USER MOD Set 2.2: A 79 LYS NZ :NH3+ 158:sc= -0.0142 (180deg=-0.204) USER MOD Set 3.1: A 65 THR OG1 : rot 180:sc= 0 USER MOD Set 3.2: A 85 TYR OH : rot 130:sc= -3.63! USER MOD Set 4.1: A 12 TYR OH : rot 165:sc= -1.53 USER MOD Set 4.2: A 53 GLN : amide:sc= -2.16 K(o=-3.7,f=-4.3) USER MOD Set 5.1: A 28 SER OG : rot 132:sc= 0.361 USER MOD Set 5.2: A 77 TYR OH : rot -122:sc= -2.06! USER MOD Single : A 8 ASN : amide:sc= -0.462 K(o=-0.46,f=-1.9) USER MOD Single : A 9 HIS : no HD1:sc= -2.82 K(o=-2.8,f=-6.2!) USER MOD Single : A 10 THR OG1 : rot 150:sc= -1.05 USER MOD Single : A 17 ASN : amide:sc= -5.73! C(o=-5.7!,f=-14!) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 LYS NZ :NH3+ 160:sc=-0.00957 (180deg=-0.158) 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 HE2:sc= -1.65! C(o=-1.6!,f=-3!) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 38 GLN : amide:sc= 0 X(o=0,f=-0.079) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 47 SER OG : rot 180:sc= 0.0832 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 MET CE :methyl -149:sc= -0.0591 (180deg=-1.52) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 SER OG : rot 180:sc=-0.000139 USER MOD Single : A 63 SER OG : rot 180:sc= -0.0223 USER MOD Single : A 66 ASN : amide:sc= -0.0757 X(o=-0.076,f=0) USER MOD Single : A 70 SER OG : rot -170:sc= 0 USER MOD Single : A 71 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 72 GLN : amide:sc= -0.0391 X(o=-0.039,f=-0.37) USER MOD Single : A 81 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 87 LYS NZ :NH3+ 152:sc= 0 (180deg=-0.0023) USER MOD Single : A 88 THR OG1 : rot 180:sc= 0.0174 USER MOD Single : A 90 SER OG : rot -100:sc= -3.33! USER MOD ----------------------------------------------------------------- ATOM 682 N PRO A 7 30.985 -3.240 -28.740 1.00 0.00 N ATOM 683 CA PRO A 7 30.674 -2.936 -27.332 1.00 0.00 C ATOM 684 C PRO A 7 31.079 -1.493 -26.991 1.00 0.00 C ATOM 685 O PRO A 7 32.174 -1.049 -27.333 1.00 0.00 O ATOM 686 CB PRO A 7 31.521 -3.942 -26.545 1.00 0.00 C ATOM 687 CG PRO A 7 32.673 -4.371 -27.484 1.00 0.00 C ATOM 688 CD PRO A 7 32.211 -4.060 -28.919 1.00 0.00 C ATOM 0 HA PRO A 7 29.611 -3.015 -27.104 1.00 0.00 H new ATOM 0 HB2 PRO A 7 31.911 -3.491 -25.632 1.00 0.00 H new ATOM 0 HB3 PRO A 7 30.923 -4.803 -26.245 1.00 0.00 H new ATOM 0 HG2 PRO A 7 33.589 -3.830 -27.246 1.00 0.00 H new ATOM 0 HG3 PRO A 7 32.891 -5.433 -27.369 1.00 0.00 H new ATOM 0 HD2 PRO A 7 32.976 -3.517 -29.474 1.00 0.00 H new ATOM 0 HD3 PRO A 7 32.001 -4.973 -29.476 1.00 0.00 H new ATOM 689 N ASN A 8 30.222 -0.748 -26.325 1.00 0.00 N ATOM 690 CA ASN A 8 30.573 0.658 -25.974 1.00 0.00 C ATOM 691 C ASN A 8 30.305 0.892 -24.478 1.00 0.00 C ATOM 692 O ASN A 8 30.009 -0.044 -23.739 1.00 0.00 O ATOM 693 CB ASN A 8 29.720 1.620 -26.811 1.00 0.00 C ATOM 694 CG ASN A 8 30.617 2.390 -27.789 1.00 0.00 C ATOM 695 OD1 ASN A 8 31.714 2.811 -27.427 1.00 0.00 O ATOM 696 ND2 ASN A 8 30.215 2.601 -29.018 1.00 0.00 N ATOM 0 H ASN A 8 29.301 -1.057 -26.014 1.00 0.00 H new ATOM 0 HA ASN A 8 31.628 0.837 -26.184 1.00 0.00 H new ATOM 0 HB2 ASN A 8 28.960 1.064 -27.360 1.00 0.00 H new ATOM 0 HB3 ASN A 8 29.195 2.317 -26.158 1.00 0.00 H new ATOM 0 HD21 ASN A 8 30.811 3.112 -29.669 1.00 0.00 H new ATOM 0 HD22 ASN A 8 29.306 2.254 -29.324 1.00 0.00 H new ATOM 697 N HIS A 9 30.401 2.120 -24.012 1.00 0.00 N ATOM 698 CA HIS A 9 30.147 2.388 -22.564 1.00 0.00 C ATOM 699 C HIS A 9 28.669 2.749 -22.354 1.00 0.00 C ATOM 700 O HIS A 9 28.055 2.336 -21.371 1.00 0.00 O ATOM 701 CB HIS A 9 31.025 3.552 -22.092 1.00 0.00 C ATOM 702 CG HIS A 9 31.362 3.373 -20.636 1.00 0.00 C ATOM 703 ND1 HIS A 9 32.643 3.061 -20.208 1.00 0.00 N ATOM 704 CD2 HIS A 9 30.597 3.458 -19.499 1.00 0.00 C ATOM 705 CE1 HIS A 9 32.611 2.972 -18.865 1.00 0.00 C ATOM 706 NE2 HIS A 9 31.388 3.206 -18.382 1.00 0.00 N ATOM 0 H HIS A 9 30.643 2.939 -24.571 1.00 0.00 H new ATOM 0 HA HIS A 9 30.388 1.494 -21.989 1.00 0.00 H new ATOM 0 HB2 HIS A 9 31.939 3.595 -22.684 1.00 0.00 H new ATOM 0 HB3 HIS A 9 30.504 4.498 -22.241 1.00 0.00 H new ATOM 0 HD2 HIS A 9 29.542 3.686 -19.475 1.00 0.00 H new ATOM 0 HE1 HIS A 9 33.470 2.740 -18.253 1.00 0.00 H new ATOM 0 HE2 HIS A 9 31.096 3.201 -17.405 1.00 0.00 H new ATOM 707 N THR A 10 28.079 3.514 -23.249 1.00 0.00 N ATOM 708 CA THR A 10 26.647 3.894 -23.078 1.00 0.00 C ATOM 709 C THR A 10 25.771 3.056 -24.025 1.00 0.00 C ATOM 710 O THR A 10 26.242 2.563 -25.048 1.00 0.00 O ATOM 711 CB THR A 10 26.479 5.381 -23.413 1.00 0.00 C ATOM 712 OG1 THR A 10 27.316 6.152 -22.564 1.00 0.00 O ATOM 713 CG2 THR A 10 25.021 5.799 -23.212 1.00 0.00 C ATOM 0 H THR A 10 28.530 3.887 -24.084 1.00 0.00 H new ATOM 0 HA THR A 10 26.342 3.709 -22.048 1.00 0.00 H new ATOM 0 HB THR A 10 26.758 5.549 -24.453 1.00 0.00 H new ATOM 0 HG1 THR A 10 27.594 6.967 -23.031 1.00 0.00 H new ATOM 0 HG21 THR A 10 24.909 6.856 -23.452 1.00 0.00 H new ATOM 0 HG22 THR A 10 24.380 5.209 -23.867 1.00 0.00 H new ATOM 0 HG23 THR A 10 24.734 5.630 -22.174 1.00 0.00 H new ATOM 714 N ILE A 11 24.502 2.895 -23.713 1.00 0.00 N ATOM 715 CA ILE A 11 23.609 2.106 -24.607 1.00 0.00 C ATOM 716 C ILE A 11 22.514 3.035 -25.158 1.00 0.00 C ATOM 717 O ILE A 11 22.263 4.109 -24.608 1.00 0.00 O ATOM 718 CB ILE A 11 22.978 0.948 -23.827 1.00 0.00 C ATOM 719 CG1 ILE A 11 22.160 1.493 -22.654 1.00 0.00 C ATOM 720 CG2 ILE A 11 24.081 0.032 -23.292 1.00 0.00 C ATOM 721 CD1 ILE A 11 21.193 0.414 -22.162 1.00 0.00 C ATOM 0 H ILE A 11 24.055 3.277 -22.880 1.00 0.00 H new ATOM 0 HA ILE A 11 24.186 1.690 -25.433 1.00 0.00 H new ATOM 0 HB ILE A 11 22.323 0.386 -24.492 1.00 0.00 H new ATOM 0 HG12 ILE A 11 22.823 1.798 -21.845 1.00 0.00 H new ATOM 0 HG13 ILE A 11 21.606 2.379 -22.964 1.00 0.00 H new ATOM 0 HG21 ILE A 11 23.632 -0.792 -22.737 1.00 0.00 H new ATOM 0 HG22 ILE A 11 24.660 -0.365 -24.126 1.00 0.00 H new ATOM 0 HG23 ILE A 11 24.737 0.600 -22.632 1.00 0.00 H new ATOM 0 HD11 ILE A 11 20.610 0.801 -21.326 1.00 0.00 H new ATOM 0 HD12 ILE A 11 20.521 0.130 -22.972 1.00 0.00 H new ATOM 0 HD13 ILE A 11 21.758 -0.460 -21.836 1.00 0.00 H new ATOM 722 N TYR A 12 21.863 2.653 -26.235 1.00 0.00 N ATOM 723 CA TYR A 12 20.806 3.527 -26.819 1.00 0.00 C ATOM 724 C TYR A 12 19.508 2.717 -27.010 1.00 0.00 C ATOM 725 O TYR A 12 19.542 1.513 -27.252 1.00 0.00 O ATOM 726 CB TYR A 12 21.309 4.061 -28.172 1.00 0.00 C ATOM 727 CG TYR A 12 20.200 4.769 -28.918 1.00 0.00 C ATOM 728 CD1 TYR A 12 19.792 6.050 -28.528 1.00 0.00 C ATOM 729 CD2 TYR A 12 19.582 4.136 -30.003 1.00 0.00 C ATOM 730 CE1 TYR A 12 18.765 6.698 -29.225 1.00 0.00 C ATOM 731 CE2 TYR A 12 18.555 4.782 -30.698 1.00 0.00 C ATOM 732 CZ TYR A 12 18.145 6.064 -30.309 1.00 0.00 C ATOM 733 OH TYR A 12 17.130 6.704 -30.995 1.00 0.00 O ATOM 0 H TYR A 12 22.022 1.775 -26.729 1.00 0.00 H new ATOM 0 HA TYR A 12 20.594 4.362 -26.151 1.00 0.00 H new ATOM 0 HB2 TYR A 12 22.140 4.747 -28.010 1.00 0.00 H new ATOM 0 HB3 TYR A 12 21.689 3.236 -28.775 1.00 0.00 H new ATOM 0 HD1 TYR A 12 20.269 6.538 -27.691 1.00 0.00 H new ATOM 0 HD2 TYR A 12 19.899 3.148 -30.303 1.00 0.00 H new ATOM 0 HE1 TYR A 12 18.451 7.687 -28.927 1.00 0.00 H new ATOM 0 HE2 TYR A 12 18.078 4.293 -31.534 1.00 0.00 H new ATOM 0 HH TYR A 12 16.973 6.248 -31.848 1.00 0.00 H new ATOM 734 N ILE A 13 18.364 3.361 -26.914 1.00 0.00 N ATOM 735 CA ILE A 13 17.073 2.636 -27.098 1.00 0.00 C ATOM 736 C ILE A 13 16.185 3.440 -28.060 1.00 0.00 C ATOM 737 O ILE A 13 16.232 4.670 -28.072 1.00 0.00 O ATOM 738 CB ILE A 13 16.361 2.499 -25.748 1.00 0.00 C ATOM 739 CG1 ILE A 13 17.289 1.803 -24.734 1.00 0.00 C ATOM 740 CG2 ILE A 13 15.084 1.671 -25.932 1.00 0.00 C ATOM 741 CD1 ILE A 13 17.479 2.699 -23.507 1.00 0.00 C ATOM 0 H ILE A 13 18.275 4.358 -26.716 1.00 0.00 H new ATOM 0 HA ILE A 13 17.264 1.644 -27.506 1.00 0.00 H new ATOM 0 HB ILE A 13 16.104 3.489 -25.372 1.00 0.00 H new ATOM 0 HG12 ILE A 13 16.863 0.846 -24.434 1.00 0.00 H new ATOM 0 HG13 ILE A 13 18.254 1.592 -25.195 1.00 0.00 H new ATOM 0 HG21 ILE A 13 14.574 1.571 -24.974 1.00 0.00 H new ATOM 0 HG22 ILE A 13 14.426 2.170 -26.643 1.00 0.00 H new ATOM 0 HG23 ILE A 13 15.343 0.682 -26.310 1.00 0.00 H new ATOM 0 HD11 ILE A 13 18.136 2.203 -22.792 1.00 0.00 H new ATOM 0 HD12 ILE A 13 17.925 3.645 -23.813 1.00 0.00 H new ATOM 0 HD13 ILE A 13 16.512 2.887 -23.041 1.00 0.00 H new ATOM 742 N ASN A 14 15.379 2.785 -28.868 1.00 0.00 N ATOM 743 CA ASN A 14 14.506 3.539 -29.817 1.00 0.00 C ATOM 744 C ASN A 14 13.172 2.796 -29.997 1.00 0.00 C ATOM 745 O ASN A 14 12.914 1.796 -29.331 1.00 0.00 O ATOM 746 CB ASN A 14 15.220 3.671 -31.167 1.00 0.00 C ATOM 747 CG ASN A 14 15.469 2.279 -31.765 1.00 0.00 C ATOM 748 OD1 ASN A 14 16.046 1.415 -31.109 1.00 0.00 O ATOM 749 ND2 ASN A 14 15.068 2.010 -32.984 1.00 0.00 N ATOM 0 H ASN A 14 15.291 1.770 -28.908 1.00 0.00 H new ATOM 0 HA ASN A 14 14.305 4.533 -29.418 1.00 0.00 H new ATOM 0 HB2 ASN A 14 14.616 4.267 -31.851 1.00 0.00 H new ATOM 0 HB3 ASN A 14 16.167 4.195 -31.038 1.00 0.00 H new ATOM 0 HD21 ASN A 14 15.235 1.087 -33.384 1.00 0.00 H new ATOM 0 HD22 ASN A 14 14.589 2.724 -33.532 1.00 0.00 H new ATOM 750 N ASN A 15 12.310 3.262 -30.880 1.00 0.00 N ATOM 751 CA ASN A 15 10.998 2.576 -31.087 1.00 0.00 C ATOM 752 C ASN A 15 10.149 2.706 -29.816 1.00 0.00 C ATOM 753 O ASN A 15 9.498 1.750 -29.394 1.00 0.00 O ATOM 754 CB ASN A 15 11.225 1.093 -31.403 1.00 0.00 C ATOM 755 CG ASN A 15 9.958 0.504 -32.036 1.00 0.00 C ATOM 756 OD1 ASN A 15 8.855 0.984 -31.779 1.00 0.00 O ATOM 757 ND2 ASN A 15 10.048 -0.515 -32.854 1.00 0.00 N ATOM 0 H ASN A 15 12.463 4.086 -31.462 1.00 0.00 H new ATOM 0 HA ASN A 15 10.478 3.042 -31.924 1.00 0.00 H new ATOM 0 HB2 ASN A 15 12.070 0.980 -32.083 1.00 0.00 H new ATOM 0 HB3 ASN A 15 11.475 0.550 -30.491 1.00 0.00 H new ATOM 0 HD21 ASN A 15 9.206 -0.907 -33.275 1.00 0.00 H new ATOM 0 HD22 ASN A 15 10.960 -0.916 -33.070 1.00 0.00 H new ATOM 758 N LEU A 16 10.138 3.865 -29.190 1.00 0.00 N ATOM 759 CA LEU A 16 9.325 4.032 -27.951 1.00 0.00 C ATOM 760 C LEU A 16 8.060 4.844 -28.270 1.00 0.00 C ATOM 761 O LEU A 16 8.099 5.782 -29.064 1.00 0.00 O ATOM 762 CB LEU A 16 10.155 4.770 -26.898 1.00 0.00 C ATOM 763 CG LEU A 16 11.135 3.793 -26.241 1.00 0.00 C ATOM 764 CD1 LEU A 16 12.454 4.510 -25.946 1.00 0.00 C ATOM 765 CD2 LEU A 16 10.537 3.271 -24.931 1.00 0.00 C ATOM 0 H LEU A 16 10.655 4.693 -29.486 1.00 0.00 H new ATOM 0 HA LEU A 16 9.037 3.053 -27.569 1.00 0.00 H new ATOM 0 HB2 LEU A 16 10.701 5.592 -27.361 1.00 0.00 H new ATOM 0 HB3 LEU A 16 9.500 5.206 -26.144 1.00 0.00 H new ATOM 0 HG LEU A 16 11.318 2.958 -26.917 1.00 0.00 H new ATOM 0 HD11 LEU A 16 13.150 3.814 -25.479 1.00 0.00 H new ATOM 0 HD12 LEU A 16 12.882 4.881 -26.877 1.00 0.00 H new ATOM 0 HD13 LEU A 16 12.270 5.347 -25.272 1.00 0.00 H new ATOM 0 HD21 LEU A 16 11.235 2.576 -24.464 1.00 0.00 H new ATOM 0 HD22 LEU A 16 10.352 4.107 -24.257 1.00 0.00 H new ATOM 0 HD23 LEU A 16 9.598 2.758 -25.139 1.00 0.00 H new ATOM 766 N ASN A 17 6.937 4.509 -27.668 1.00 0.00 N ATOM 767 CA ASN A 17 5.680 5.276 -27.950 1.00 0.00 C ATOM 768 C ASN A 17 5.919 6.767 -27.680 1.00 0.00 C ATOM 769 O ASN A 17 6.775 7.133 -26.877 1.00 0.00 O ATOM 770 CB ASN A 17 4.530 4.775 -27.062 1.00 0.00 C ATOM 771 CG ASN A 17 4.895 4.963 -25.583 1.00 0.00 C ATOM 772 OD1 ASN A 17 6.070 5.081 -25.243 1.00 0.00 O ATOM 773 ND2 ASN A 17 3.950 4.997 -24.675 1.00 0.00 N ATOM 0 H ASN A 17 6.839 3.744 -27.000 1.00 0.00 H new ATOM 0 HA ASN A 17 5.407 5.127 -28.995 1.00 0.00 H new ATOM 0 HB2 ASN A 17 3.616 5.322 -27.293 1.00 0.00 H new ATOM 0 HB3 ASN A 17 4.332 3.723 -27.266 1.00 0.00 H new ATOM 0 HD21 ASN A 17 4.192 5.121 -23.692 1.00 0.00 H new ATOM 0 HD22 ASN A 17 2.973 4.900 -24.952 1.00 0.00 H new ATOM 774 N GLU A 18 5.189 7.635 -28.340 1.00 0.00 N ATOM 775 CA GLU A 18 5.392 9.095 -28.121 1.00 0.00 C ATOM 776 C GLU A 18 4.316 9.635 -27.163 1.00 0.00 C ATOM 777 O GLU A 18 3.558 10.539 -27.512 1.00 0.00 O ATOM 778 CB GLU A 18 5.298 9.815 -29.465 1.00 0.00 C ATOM 779 CG GLU A 18 6.685 9.886 -30.102 1.00 0.00 C ATOM 780 CD GLU A 18 7.591 10.778 -29.253 1.00 0.00 C ATOM 781 OE1 GLU A 18 7.211 11.909 -29.005 1.00 0.00 O ATOM 782 OE2 GLU A 18 8.651 10.314 -28.866 1.00 0.00 O ATOM 0 H GLU A 18 4.466 7.393 -29.017 1.00 0.00 H new ATOM 0 HA GLU A 18 6.373 9.267 -27.679 1.00 0.00 H new ATOM 0 HB2 GLU A 18 4.609 9.287 -30.125 1.00 0.00 H new ATOM 0 HB3 GLU A 18 4.899 10.819 -29.325 1.00 0.00 H new ATOM 0 HG2 GLU A 18 7.112 8.886 -30.181 1.00 0.00 H new ATOM 0 HG3 GLU A 18 6.612 10.283 -31.115 1.00 0.00 H new ATOM 783 N LYS A 19 4.234 9.109 -25.959 1.00 0.00 N ATOM 784 CA LYS A 19 3.207 9.608 -24.994 1.00 0.00 C ATOM 785 C LYS A 19 3.699 9.401 -23.551 1.00 0.00 C ATOM 786 O LYS A 19 2.915 9.068 -22.663 1.00 0.00 O ATOM 787 CB LYS A 19 1.897 8.841 -25.195 1.00 0.00 C ATOM 788 CG LYS A 19 1.483 8.903 -26.666 1.00 0.00 C ATOM 789 CD LYS A 19 0.096 8.280 -26.833 1.00 0.00 C ATOM 790 CE LYS A 19 -0.050 7.727 -28.251 1.00 0.00 C ATOM 791 NZ LYS A 19 -1.487 7.451 -28.531 1.00 0.00 N ATOM 0 H LYS A 19 4.832 8.361 -25.609 1.00 0.00 H new ATOM 0 HA LYS A 19 3.041 10.671 -25.171 1.00 0.00 H new ATOM 0 HB2 LYS A 19 2.021 7.803 -24.886 1.00 0.00 H new ATOM 0 HB3 LYS A 19 1.114 9.269 -24.569 1.00 0.00 H new ATOM 0 HG2 LYS A 19 1.472 9.938 -27.008 1.00 0.00 H new ATOM 0 HG3 LYS A 19 2.209 8.371 -27.282 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -0.046 7.482 -26.104 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -0.675 9.027 -26.642 1.00 0.00 H new ATOM 0 HE2 LYS A 19 0.341 8.443 -28.974 1.00 0.00 H new ATOM 0 HE3 LYS A 19 0.534 6.813 -28.358 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -1.587 7.075 -29.495 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -1.846 6.753 -27.848 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -2.033 8.332 -28.445 1.00 0.00 H new ATOM 792 N ILE A 20 4.978 9.577 -23.293 1.00 0.00 N ATOM 793 CA ILE A 20 5.496 9.373 -21.912 1.00 0.00 C ATOM 794 C ILE A 20 5.940 10.703 -21.309 1.00 0.00 C ATOM 795 O ILE A 20 6.290 11.639 -22.026 1.00 0.00 O ATOM 796 CB ILE A 20 6.709 8.447 -21.956 1.00 0.00 C ATOM 797 CG1 ILE A 20 6.357 7.166 -22.722 1.00 0.00 C ATOM 798 CG2 ILE A 20 7.138 8.096 -20.528 1.00 0.00 C ATOM 799 CD1 ILE A 20 7.464 6.857 -23.729 1.00 0.00 C ATOM 0 H ILE A 20 5.678 9.852 -23.982 1.00 0.00 H new ATOM 0 HA ILE A 20 4.700 8.939 -21.306 1.00 0.00 H new ATOM 0 HB ILE A 20 7.530 8.952 -22.465 1.00 0.00 H new ATOM 0 HG12 ILE A 20 6.240 6.334 -22.027 1.00 0.00 H new ATOM 0 HG13 ILE A 20 5.404 7.288 -23.238 1.00 0.00 H new ATOM 0 HG21 ILE A 20 8.004 7.435 -20.560 1.00 0.00 H new ATOM 0 HG22 ILE A 20 7.398 9.009 -19.992 1.00 0.00 H new ATOM 0 HG23 ILE A 20 6.318 7.594 -20.015 1.00 0.00 H new ATOM 0 HD11 ILE A 20 7.216 5.947 -24.275 1.00 0.00 H new ATOM 0 HD12 ILE A 20 7.560 7.686 -24.430 1.00 0.00 H new ATOM 0 HD13 ILE A 20 8.407 6.718 -23.201 1.00 0.00 H new ATOM 800 N LYS A 21 5.962 10.798 -20.000 1.00 0.00 N ATOM 801 CA LYS A 21 6.416 12.056 -19.365 1.00 0.00 C ATOM 802 C LYS A 21 7.903 11.910 -19.011 1.00 0.00 C ATOM 803 O LYS A 21 8.515 10.886 -19.307 1.00 0.00 O ATOM 804 CB LYS A 21 5.595 12.327 -18.098 1.00 0.00 C ATOM 805 CG LYS A 21 4.366 13.164 -18.457 1.00 0.00 C ATOM 806 CD LYS A 21 3.272 12.953 -17.405 1.00 0.00 C ATOM 807 CE LYS A 21 3.296 14.105 -16.398 1.00 0.00 C ATOM 808 NZ LYS A 21 2.721 15.328 -17.028 1.00 0.00 N ATOM 0 H LYS A 21 5.685 10.058 -19.355 1.00 0.00 H new ATOM 0 HA LYS A 21 6.278 12.893 -20.049 1.00 0.00 H new ATOM 0 HB2 LYS A 21 5.287 11.386 -17.643 1.00 0.00 H new ATOM 0 HB3 LYS A 21 6.204 12.852 -17.362 1.00 0.00 H new ATOM 0 HG2 LYS A 21 4.635 14.219 -18.509 1.00 0.00 H new ATOM 0 HG3 LYS A 21 3.996 12.880 -19.442 1.00 0.00 H new ATOM 0 HD2 LYS A 21 2.296 12.899 -17.887 1.00 0.00 H new ATOM 0 HD3 LYS A 21 3.427 12.004 -16.891 1.00 0.00 H new ATOM 0 HE2 LYS A 21 2.724 13.837 -15.510 1.00 0.00 H new ATOM 0 HE3 LYS A 21 4.319 14.297 -16.073 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 2.423 15.993 -16.286 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 3.440 15.779 -17.629 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 1.899 15.066 -17.608 1.00 0.00 H new ATOM 809 N LYS A 22 8.506 12.900 -18.393 1.00 0.00 N ATOM 810 CA LYS A 22 9.958 12.778 -18.042 1.00 0.00 C ATOM 811 C LYS A 22 10.116 11.996 -16.733 1.00 0.00 C ATOM 812 O LYS A 22 11.038 11.196 -16.589 1.00 0.00 O ATOM 813 CB LYS A 22 10.577 14.167 -17.875 1.00 0.00 C ATOM 814 CG LYS A 22 10.329 14.995 -19.138 1.00 0.00 C ATOM 815 CD LYS A 22 10.872 16.411 -18.935 1.00 0.00 C ATOM 816 CE LYS A 22 12.374 16.428 -19.221 1.00 0.00 C ATOM 817 NZ LYS A 22 12.974 17.669 -18.653 1.00 0.00 N ATOM 0 H LYS A 22 8.062 13.777 -18.120 1.00 0.00 H new ATOM 0 HA LYS A 22 10.467 12.249 -18.847 1.00 0.00 H new ATOM 0 HB2 LYS A 22 10.144 14.667 -17.009 1.00 0.00 H new ATOM 0 HB3 LYS A 22 11.648 14.079 -17.690 1.00 0.00 H new ATOM 0 HG2 LYS A 22 10.815 14.527 -19.994 1.00 0.00 H new ATOM 0 HG3 LYS A 22 9.262 15.031 -19.358 1.00 0.00 H new ATOM 0 HD2 LYS A 22 10.357 17.107 -19.597 1.00 0.00 H new ATOM 0 HD3 LYS A 22 10.682 16.742 -17.914 1.00 0.00 H new ATOM 0 HE2 LYS A 22 12.848 15.549 -18.784 1.00 0.00 H new ATOM 0 HE3 LYS A 22 12.551 16.385 -20.296 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 13.996 17.681 -18.847 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 12.529 18.501 -19.090 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 12.817 17.692 -17.625 1.00 0.00 H new ATOM 818 N ASP A 23 9.235 12.193 -15.780 1.00 0.00 N ATOM 819 CA ASP A 23 9.350 11.435 -14.498 1.00 0.00 C ATOM 820 C ASP A 23 8.900 9.980 -14.716 1.00 0.00 C ATOM 821 O ASP A 23 9.281 9.092 -13.954 1.00 0.00 O ATOM 822 CB ASP A 23 8.475 12.079 -13.415 1.00 0.00 C ATOM 823 CG ASP A 23 9.178 11.974 -12.061 1.00 0.00 C ATOM 824 OD1 ASP A 23 10.280 12.484 -11.945 1.00 0.00 O ATOM 825 OD2 ASP A 23 8.603 11.383 -11.161 1.00 0.00 O ATOM 0 H ASP A 23 8.449 12.840 -15.835 1.00 0.00 H new ATOM 0 HA ASP A 23 10.390 11.455 -14.173 1.00 0.00 H new ATOM 0 HB2 ASP A 23 8.287 13.125 -13.659 1.00 0.00 H new ATOM 0 HB3 ASP A 23 7.506 11.582 -13.373 1.00 0.00 H new ATOM 826 N GLU A 24 8.094 9.702 -15.729 1.00 0.00 N ATOM 827 CA GLU A 24 7.649 8.297 -15.943 1.00 0.00 C ATOM 828 C GLU A 24 8.734 7.509 -16.688 1.00 0.00 C ATOM 829 O GLU A 24 9.019 6.364 -16.342 1.00 0.00 O ATOM 830 CB GLU A 24 6.347 8.265 -16.754 1.00 0.00 C ATOM 831 CG GLU A 24 5.557 7.004 -16.403 1.00 0.00 C ATOM 832 CD GLU A 24 4.641 7.291 -15.211 1.00 0.00 C ATOM 833 OE1 GLU A 24 3.810 8.178 -15.328 1.00 0.00 O ATOM 834 OE2 GLU A 24 4.786 6.620 -14.203 1.00 0.00 O ATOM 0 H GLU A 24 7.737 10.383 -16.399 1.00 0.00 H new ATOM 0 HA GLU A 24 7.473 7.840 -14.969 1.00 0.00 H new ATOM 0 HB2 GLU A 24 5.751 9.152 -16.539 1.00 0.00 H new ATOM 0 HB3 GLU A 24 6.570 8.282 -17.821 1.00 0.00 H new ATOM 0 HG2 GLU A 24 4.966 6.682 -17.260 1.00 0.00 H new ATOM 0 HG3 GLU A 24 6.240 6.189 -16.163 1.00 0.00 H new ATOM 835 N LEU A 25 9.351 8.084 -17.698 1.00 0.00 N ATOM 836 CA LEU A 25 10.416 7.326 -18.432 1.00 0.00 C ATOM 837 C LEU A 25 11.713 7.265 -17.603 1.00 0.00 C ATOM 838 O LEU A 25 12.554 6.400 -17.839 1.00 0.00 O ATOM 839 CB LEU A 25 10.701 7.982 -19.788 1.00 0.00 C ATOM 840 CG LEU A 25 11.165 6.919 -20.785 1.00 0.00 C ATOM 841 CD1 LEU A 25 9.990 6.009 -21.157 1.00 0.00 C ATOM 842 CD2 LEU A 25 11.694 7.608 -22.045 1.00 0.00 C ATOM 0 H LEU A 25 9.167 9.027 -18.040 1.00 0.00 H new ATOM 0 HA LEU A 25 10.055 6.310 -18.595 1.00 0.00 H new ATOM 0 HB2 LEU A 25 9.804 8.477 -20.160 1.00 0.00 H new ATOM 0 HB3 LEU A 25 11.466 8.750 -19.678 1.00 0.00 H new ATOM 0 HG LEU A 25 11.955 6.318 -20.334 1.00 0.00 H new ATOM 0 HD11 LEU A 25 10.326 5.254 -21.867 1.00 0.00 H new ATOM 0 HD12 LEU A 25 9.610 5.520 -20.260 1.00 0.00 H new ATOM 0 HD13 LEU A 25 9.197 6.605 -21.609 1.00 0.00 H new ATOM 0 HD21 LEU A 25 12.026 6.855 -22.759 1.00 0.00 H new ATOM 0 HD22 LEU A 25 10.901 8.207 -22.492 1.00 0.00 H new ATOM 0 HD23 LEU A 25 12.532 8.253 -21.782 1.00 0.00 H new ATOM 843 N LYS A 26 11.904 8.140 -16.634 1.00 0.00 N ATOM 844 CA LYS A 26 13.152 8.074 -15.816 1.00 0.00 C ATOM 845 C LYS A 26 12.954 7.084 -14.654 1.00 0.00 C ATOM 846 O LYS A 26 13.897 6.415 -14.237 1.00 0.00 O ATOM 847 CB LYS A 26 13.492 9.460 -15.253 1.00 0.00 C ATOM 848 CG LYS A 26 13.877 10.397 -16.399 1.00 0.00 C ATOM 849 CD LYS A 26 14.145 11.798 -15.846 1.00 0.00 C ATOM 850 CE LYS A 26 15.576 11.869 -15.307 1.00 0.00 C ATOM 851 NZ LYS A 26 15.972 13.295 -15.137 1.00 0.00 N ATOM 0 H LYS A 26 11.255 8.885 -16.382 1.00 0.00 H new ATOM 0 HA LYS A 26 13.972 7.738 -16.450 1.00 0.00 H new ATOM 0 HB2 LYS A 26 12.637 9.864 -14.711 1.00 0.00 H new ATOM 0 HB3 LYS A 26 14.313 9.383 -14.541 1.00 0.00 H new ATOM 0 HG2 LYS A 26 14.764 10.020 -16.909 1.00 0.00 H new ATOM 0 HG3 LYS A 26 13.076 10.433 -17.138 1.00 0.00 H new ATOM 0 HD2 LYS A 26 14.003 12.543 -16.629 1.00 0.00 H new ATOM 0 HD3 LYS A 26 13.434 12.029 -15.053 1.00 0.00 H new ATOM 0 HE2 LYS A 26 15.643 11.346 -14.353 1.00 0.00 H new ATOM 0 HE3 LYS A 26 16.260 11.370 -15.993 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 16.944 13.344 -14.771 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 15.923 13.781 -16.055 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 15.326 13.757 -14.466 1.00 0.00 H new ATOM 852 N LYS A 27 11.753 6.966 -14.119 1.00 0.00 N ATOM 853 CA LYS A 27 11.537 6.004 -12.993 1.00 0.00 C ATOM 854 C LYS A 27 11.495 4.558 -13.526 1.00 0.00 C ATOM 855 O LYS A 27 11.862 3.623 -12.816 1.00 0.00 O ATOM 856 CB LYS A 27 10.216 6.315 -12.276 1.00 0.00 C ATOM 857 CG LYS A 27 10.273 7.727 -11.686 1.00 0.00 C ATOM 858 CD LYS A 27 10.705 7.654 -10.218 1.00 0.00 C ATOM 859 CE LYS A 27 12.205 7.942 -10.108 1.00 0.00 C ATOM 860 NZ LYS A 27 12.749 7.277 -8.890 1.00 0.00 N ATOM 0 H LYS A 27 10.928 7.489 -14.412 1.00 0.00 H new ATOM 0 HA LYS A 27 12.364 6.107 -12.291 1.00 0.00 H new ATOM 0 HB2 LYS A 27 9.383 6.235 -12.975 1.00 0.00 H new ATOM 0 HB3 LYS A 27 10.039 5.586 -11.485 1.00 0.00 H new ATOM 0 HG2 LYS A 27 10.974 8.340 -12.252 1.00 0.00 H new ATOM 0 HG3 LYS A 27 9.296 8.205 -11.765 1.00 0.00 H new ATOM 0 HD2 LYS A 27 10.142 8.376 -9.627 1.00 0.00 H new ATOM 0 HD3 LYS A 27 10.483 6.667 -9.812 1.00 0.00 H new ATOM 0 HE2 LYS A 27 12.722 7.579 -10.996 1.00 0.00 H new ATOM 0 HE3 LYS A 27 12.377 9.017 -10.056 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 13.768 7.472 -8.814 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 12.262 7.644 -8.047 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 12.597 6.250 -8.958 1.00 0.00 H new ATOM 861 N SER A 28 11.054 4.341 -14.751 1.00 0.00 N ATOM 862 CA SER A 28 10.999 2.943 -15.282 1.00 0.00 C ATOM 863 C SER A 28 12.345 2.555 -15.917 1.00 0.00 C ATOM 864 O SER A 28 12.760 1.399 -15.837 1.00 0.00 O ATOM 865 CB SER A 28 9.891 2.827 -16.333 1.00 0.00 C ATOM 866 OG SER A 28 8.651 3.209 -15.754 1.00 0.00 O ATOM 0 H SER A 28 10.735 5.065 -15.394 1.00 0.00 H new ATOM 0 HA SER A 28 10.789 2.268 -14.453 1.00 0.00 H new ATOM 0 HB2 SER A 28 10.117 3.464 -17.188 1.00 0.00 H new ATOM 0 HB3 SER A 28 9.832 1.804 -16.704 1.00 0.00 H new ATOM 0 HG SER A 28 8.196 3.845 -16.345 1.00 0.00 H new ATOM 867 N LEU A 29 13.041 3.478 -16.551 1.00 0.00 N ATOM 868 CA LEU A 29 14.351 3.113 -17.183 1.00 0.00 C ATOM 869 C LEU A 29 15.409 2.909 -16.093 1.00 0.00 C ATOM 870 O LEU A 29 16.034 1.853 -16.009 1.00 0.00 O ATOM 871 CB LEU A 29 14.814 4.224 -18.135 1.00 0.00 C ATOM 872 CG LEU A 29 14.039 4.126 -19.451 1.00 0.00 C ATOM 873 CD1 LEU A 29 14.360 5.340 -20.326 1.00 0.00 C ATOM 874 CD2 LEU A 29 14.446 2.848 -20.187 1.00 0.00 C ATOM 0 H LEU A 29 12.761 4.453 -16.656 1.00 0.00 H new ATOM 0 HA LEU A 29 14.220 2.191 -17.749 1.00 0.00 H new ATOM 0 HB2 LEU A 29 14.652 5.200 -17.678 1.00 0.00 H new ATOM 0 HB3 LEU A 29 15.884 4.134 -18.323 1.00 0.00 H new ATOM 0 HG LEU A 29 12.970 4.102 -19.241 1.00 0.00 H new ATOM 0 HD11 LEU A 29 13.808 5.269 -21.263 1.00 0.00 H new ATOM 0 HD12 LEU A 29 14.072 6.252 -19.803 1.00 0.00 H new ATOM 0 HD13 LEU A 29 15.429 5.365 -20.536 1.00 0.00 H new ATOM 0 HD21 LEU A 29 13.895 2.777 -21.125 1.00 0.00 H new ATOM 0 HD22 LEU A 29 15.515 2.873 -20.396 1.00 0.00 H new ATOM 0 HD23 LEU A 29 14.218 1.982 -19.566 1.00 0.00 H new ATOM 875 N HIS A 30 15.627 3.894 -15.255 1.00 0.00 N ATOM 876 CA HIS A 30 16.654 3.742 -14.170 1.00 0.00 C ATOM 877 C HIS A 30 16.390 2.467 -13.344 1.00 0.00 C ATOM 878 O HIS A 30 17.319 1.884 -12.788 1.00 0.00 O ATOM 879 CB HIS A 30 16.618 4.957 -13.234 1.00 0.00 C ATOM 880 CG HIS A 30 17.967 5.140 -12.594 1.00 0.00 C ATOM 881 ND1 HIS A 30 18.154 5.043 -11.224 1.00 0.00 N ATOM 882 CD2 HIS A 30 19.204 5.413 -13.123 1.00 0.00 C ATOM 883 CE1 HIS A 30 19.460 5.256 -10.978 1.00 0.00 C ATOM 884 NE2 HIS A 30 20.146 5.487 -12.101 1.00 0.00 N ATOM 0 H HIS A 30 15.143 4.792 -15.273 1.00 0.00 H new ATOM 0 HA HIS A 30 17.634 3.668 -14.642 1.00 0.00 H new ATOM 0 HB2 HIS A 30 16.345 5.852 -13.793 1.00 0.00 H new ATOM 0 HB3 HIS A 30 15.856 4.816 -12.467 1.00 0.00 H new ATOM 0 HD1 HIS A 30 17.434 4.846 -10.529 1.00 0.00 H new ATOM 0 HD2 HIS A 30 19.414 5.550 -14.173 1.00 0.00 H new ATOM 0 HE1 HIS A 30 19.900 5.242 -9.992 1.00 0.00 H new ATOM 885 N ALA A 31 15.154 2.018 -13.237 1.00 0.00 N ATOM 886 CA ALA A 31 14.881 0.787 -12.429 1.00 0.00 C ATOM 887 C ALA A 31 15.321 -0.461 -13.211 1.00 0.00 C ATOM 888 O ALA A 31 16.260 -1.144 -12.817 1.00 0.00 O ATOM 889 CB ALA A 31 13.384 0.681 -12.109 1.00 0.00 C ATOM 0 H ALA A 31 14.336 2.447 -13.670 1.00 0.00 H new ATOM 0 HA ALA A 31 15.443 0.852 -11.498 1.00 0.00 H new ATOM 0 HB1 ALA A 31 13.200 -0.218 -11.521 1.00 0.00 H new ATOM 0 HB2 ALA A 31 13.071 1.556 -11.540 1.00 0.00 H new ATOM 0 HB3 ALA A 31 12.816 0.630 -13.038 1.00 0.00 H new ATOM 890 N ILE A 32 14.644 -0.792 -14.294 1.00 0.00 N ATOM 891 CA ILE A 32 15.005 -2.007 -15.079 1.00 0.00 C ATOM 892 C ILE A 32 16.531 -2.145 -15.276 1.00 0.00 C ATOM 893 O ILE A 32 17.124 -3.145 -14.878 1.00 0.00 O ATOM 894 CB ILE A 32 14.310 -1.998 -16.453 1.00 0.00 C ATOM 895 CG1 ILE A 32 14.198 -0.581 -17.076 1.00 0.00 C ATOM 896 CG2 ILE A 32 12.912 -2.603 -16.319 1.00 0.00 C ATOM 897 CD1 ILE A 32 14.859 -0.567 -18.458 1.00 0.00 C ATOM 0 H ILE A 32 13.853 -0.264 -14.663 1.00 0.00 H new ATOM 0 HA ILE A 32 14.660 -2.864 -14.501 1.00 0.00 H new ATOM 0 HB ILE A 32 14.931 -2.592 -17.124 1.00 0.00 H new ATOM 0 HG12 ILE A 32 13.150 -0.293 -17.161 1.00 0.00 H new ATOM 0 HG13 ILE A 32 14.678 0.151 -16.426 1.00 0.00 H new ATOM 0 HG21 ILE A 32 12.418 -2.597 -17.291 1.00 0.00 H new ATOM 0 HG22 ILE A 32 12.992 -3.629 -15.959 1.00 0.00 H new ATOM 0 HG23 ILE A 32 12.327 -2.015 -15.612 1.00 0.00 H new ATOM 0 HD11 ILE A 32 14.777 0.430 -18.890 1.00 0.00 H new ATOM 0 HD12 ILE A 32 15.911 -0.835 -18.361 1.00 0.00 H new ATOM 0 HD13 ILE A 32 14.360 -1.286 -19.107 1.00 0.00 H new ATOM 898 N PHE A 33 17.177 -1.184 -15.889 1.00 0.00 N ATOM 899 CA PHE A 33 18.659 -1.298 -16.108 1.00 0.00 C ATOM 900 C PHE A 33 19.396 -1.374 -14.758 1.00 0.00 C ATOM 901 O PHE A 33 20.398 -2.077 -14.633 1.00 0.00 O ATOM 902 CB PHE A 33 19.173 -0.084 -16.894 1.00 0.00 C ATOM 903 CG PHE A 33 18.741 -0.204 -18.336 1.00 0.00 C ATOM 904 CD1 PHE A 33 19.110 -1.327 -19.086 1.00 0.00 C ATOM 905 CD2 PHE A 33 17.971 0.807 -18.922 1.00 0.00 C ATOM 906 CE1 PHE A 33 18.707 -1.441 -20.421 1.00 0.00 C ATOM 907 CE2 PHE A 33 17.569 0.694 -20.258 1.00 0.00 C ATOM 908 CZ PHE A 33 17.937 -0.429 -21.008 1.00 0.00 C ATOM 0 H PHE A 33 16.749 -0.330 -16.246 1.00 0.00 H new ATOM 0 HA PHE A 33 18.852 -2.208 -16.676 1.00 0.00 H new ATOM 0 HB2 PHE A 33 18.782 0.836 -16.461 1.00 0.00 H new ATOM 0 HB3 PHE A 33 20.260 -0.029 -16.831 1.00 0.00 H new ATOM 0 HD1 PHE A 33 19.706 -2.106 -18.634 1.00 0.00 H new ATOM 0 HD2 PHE A 33 17.687 1.674 -18.344 1.00 0.00 H new ATOM 0 HE1 PHE A 33 18.990 -2.309 -20.998 1.00 0.00 H new ATOM 0 HE2 PHE A 33 16.974 1.474 -20.710 1.00 0.00 H new ATOM 0 HZ PHE A 33 17.627 -0.515 -22.039 1.00 0.00 H new ATOM 909 N SER A 34 18.942 -0.663 -13.748 1.00 0.00 N ATOM 910 CA SER A 34 19.651 -0.711 -12.425 1.00 0.00 C ATOM 911 C SER A 34 19.787 -2.166 -11.936 1.00 0.00 C ATOM 912 O SER A 34 20.777 -2.521 -11.301 1.00 0.00 O ATOM 913 CB SER A 34 18.875 0.096 -11.376 1.00 0.00 C ATOM 914 OG SER A 34 19.189 -0.393 -10.080 1.00 0.00 O ATOM 0 H SER A 34 18.121 -0.059 -13.781 1.00 0.00 H new ATOM 0 HA SER A 34 20.643 -0.280 -12.559 1.00 0.00 H new ATOM 0 HB2 SER A 34 19.132 1.153 -11.450 1.00 0.00 H new ATOM 0 HB3 SER A 34 17.803 0.015 -11.558 1.00 0.00 H new ATOM 0 HG SER A 34 18.696 0.122 -9.408 1.00 0.00 H new ATOM 915 N ARG A 35 18.817 -3.020 -12.201 1.00 0.00 N ATOM 916 CA ARG A 35 18.924 -4.442 -11.723 1.00 0.00 C ATOM 917 C ARG A 35 20.254 -5.055 -12.193 1.00 0.00 C ATOM 918 O ARG A 35 20.959 -5.697 -11.416 1.00 0.00 O ATOM 919 CB ARG A 35 17.764 -5.283 -12.277 1.00 0.00 C ATOM 920 CG ARG A 35 16.499 -5.043 -11.440 1.00 0.00 C ATOM 921 CD ARG A 35 15.505 -4.173 -12.220 1.00 0.00 C ATOM 922 NE ARG A 35 14.244 -4.936 -12.440 1.00 0.00 N ATOM 923 CZ ARG A 35 13.127 -4.521 -11.909 1.00 0.00 C ATOM 924 NH1 ARG A 35 12.479 -3.524 -12.448 1.00 0.00 N ATOM 925 NH2 ARG A 35 12.658 -5.101 -10.839 1.00 0.00 N ATOM 0 H ARG A 35 17.968 -2.797 -12.720 1.00 0.00 H new ATOM 0 HA ARG A 35 18.881 -4.441 -10.634 1.00 0.00 H new ATOM 0 HB2 ARG A 35 17.577 -5.020 -13.318 1.00 0.00 H new ATOM 0 HB3 ARG A 35 18.028 -6.340 -12.258 1.00 0.00 H new ATOM 0 HG2 ARG A 35 16.037 -5.997 -11.185 1.00 0.00 H new ATOM 0 HG3 ARG A 35 16.762 -4.555 -10.502 1.00 0.00 H new ATOM 0 HD2 ARG A 35 15.297 -3.256 -11.668 1.00 0.00 H new ATOM 0 HD3 ARG A 35 15.936 -3.878 -13.177 1.00 0.00 H new ATOM 0 HE ARG A 35 14.254 -5.784 -13.007 1.00 0.00 H new ATOM 0 HH11 ARG A 35 12.846 -3.070 -13.284 1.00 0.00 H new ATOM 0 HH12 ARG A 35 11.606 -3.199 -12.033 1.00 0.00 H new ATOM 0 HH21 ARG A 35 13.165 -5.879 -10.417 1.00 0.00 H new ATOM 0 HH22 ARG A 35 11.785 -4.776 -10.424 1.00 0.00 H new ATOM 926 N PHE A 36 20.615 -4.879 -13.446 1.00 0.00 N ATOM 927 CA PHE A 36 21.904 -5.468 -13.942 1.00 0.00 C ATOM 928 C PHE A 36 23.067 -4.993 -13.058 1.00 0.00 C ATOM 929 O PHE A 36 23.751 -5.802 -12.431 1.00 0.00 O ATOM 930 CB PHE A 36 22.163 -5.037 -15.392 1.00 0.00 C ATOM 931 CG PHE A 36 21.112 -5.645 -16.289 1.00 0.00 C ATOM 932 CD1 PHE A 36 21.262 -6.958 -16.752 1.00 0.00 C ATOM 933 CD2 PHE A 36 19.986 -4.898 -16.655 1.00 0.00 C ATOM 934 CE1 PHE A 36 20.287 -7.523 -17.581 1.00 0.00 C ATOM 935 CE2 PHE A 36 19.011 -5.463 -17.486 1.00 0.00 C ATOM 936 CZ PHE A 36 19.161 -6.776 -17.948 1.00 0.00 C ATOM 0 H PHE A 36 20.079 -4.358 -14.140 1.00 0.00 H new ATOM 0 HA PHE A 36 21.829 -6.555 -13.899 1.00 0.00 H new ATOM 0 HB2 PHE A 36 22.139 -3.950 -15.470 1.00 0.00 H new ATOM 0 HB3 PHE A 36 23.156 -5.358 -15.707 1.00 0.00 H new ATOM 0 HD1 PHE A 36 22.130 -7.534 -16.469 1.00 0.00 H new ATOM 0 HD2 PHE A 36 19.869 -3.886 -16.296 1.00 0.00 H new ATOM 0 HE1 PHE A 36 20.403 -8.536 -17.938 1.00 0.00 H new ATOM 0 HE2 PHE A 36 18.143 -4.886 -17.771 1.00 0.00 H new ATOM 0 HZ PHE A 36 18.408 -7.213 -18.587 1.00 0.00 H new ATOM 937 N GLY A 37 23.316 -3.702 -12.991 1.00 0.00 N ATOM 938 CA GLY A 37 24.442 -3.205 -12.144 1.00 0.00 C ATOM 939 C GLY A 37 24.110 -1.805 -11.604 1.00 0.00 C ATOM 940 O GLY A 37 23.011 -1.566 -11.109 1.00 0.00 O ATOM 0 H GLY A 37 22.790 -2.980 -13.484 1.00 0.00 H new ATOM 0 HA2 GLY A 37 24.617 -3.892 -11.316 1.00 0.00 H new ATOM 0 HA3 GLY A 37 25.361 -3.170 -12.729 1.00 0.00 H new ATOM 941 N GLN A 38 25.035 -0.872 -11.685 1.00 0.00 N ATOM 942 CA GLN A 38 24.751 0.500 -11.172 1.00 0.00 C ATOM 943 C GLN A 38 24.662 1.478 -12.351 1.00 0.00 C ATOM 944 O GLN A 38 25.483 1.435 -13.267 1.00 0.00 O ATOM 945 CB GLN A 38 25.876 0.939 -10.231 1.00 0.00 C ATOM 946 CG GLN A 38 25.369 2.059 -9.320 1.00 0.00 C ATOM 947 CD GLN A 38 26.539 2.635 -8.514 1.00 0.00 C ATOM 948 OE1 GLN A 38 27.314 1.886 -7.922 1.00 0.00 O ATOM 949 NE2 GLN A 38 26.716 3.933 -8.454 1.00 0.00 N ATOM 0 H GLN A 38 25.965 -1.005 -12.082 1.00 0.00 H new ATOM 0 HA GLN A 38 23.806 0.495 -10.630 1.00 0.00 H new ATOM 0 HB2 GLN A 38 26.215 0.094 -9.632 1.00 0.00 H new ATOM 0 HB3 GLN A 38 26.734 1.285 -10.808 1.00 0.00 H new ATOM 0 HG2 GLN A 38 24.904 2.844 -9.916 1.00 0.00 H new ATOM 0 HG3 GLN A 38 24.604 1.675 -8.646 1.00 0.00 H new ATOM 0 HE21 GLN A 38 26.076 4.558 -8.943 1.00 0.00 H new ATOM 0 HE22 GLN A 38 27.494 4.317 -7.918 1.00 0.00 H new ATOM 950 N ILE A 39 23.689 2.364 -12.354 1.00 0.00 N ATOM 951 CA ILE A 39 23.568 3.334 -13.479 1.00 0.00 C ATOM 952 C ILE A 39 24.119 4.695 -13.032 1.00 0.00 C ATOM 953 O ILE A 39 23.651 5.270 -12.049 1.00 0.00 O ATOM 954 CB ILE A 39 22.098 3.484 -13.872 1.00 0.00 C ATOM 955 CG1 ILE A 39 21.501 2.104 -14.161 1.00 0.00 C ATOM 956 CG2 ILE A 39 21.992 4.355 -15.125 1.00 0.00 C ATOM 957 CD1 ILE A 39 19.975 2.195 -14.142 1.00 0.00 C ATOM 0 H ILE A 39 22.980 2.452 -11.626 1.00 0.00 H new ATOM 0 HA ILE A 39 24.134 2.971 -14.337 1.00 0.00 H new ATOM 0 HB ILE A 39 21.551 3.952 -13.054 1.00 0.00 H new ATOM 0 HG12 ILE A 39 21.842 1.744 -15.132 1.00 0.00 H new ATOM 0 HG13 ILE A 39 21.842 1.385 -13.416 1.00 0.00 H new ATOM 0 HG21 ILE A 39 20.944 4.462 -15.406 1.00 0.00 H new ATOM 0 HG22 ILE A 39 22.416 5.338 -14.921 1.00 0.00 H new ATOM 0 HG23 ILE A 39 22.540 3.886 -15.942 1.00 0.00 H new ATOM 0 HD11 ILE A 39 19.549 1.213 -14.348 1.00 0.00 H new ATOM 0 HD12 ILE A 39 19.643 2.536 -13.161 1.00 0.00 H new ATOM 0 HD13 ILE A 39 19.643 2.901 -14.903 1.00 0.00 H new ATOM 958 N LEU A 40 25.102 5.229 -13.726 1.00 0.00 N ATOM 959 CA LEU A 40 25.662 6.556 -13.314 1.00 0.00 C ATOM 960 C LEU A 40 24.619 7.654 -13.569 1.00 0.00 C ATOM 961 O LEU A 40 24.465 8.571 -12.762 1.00 0.00 O ATOM 962 CB LEU A 40 26.945 6.868 -14.105 1.00 0.00 C ATOM 963 CG LEU A 40 28.068 7.262 -13.140 1.00 0.00 C ATOM 964 CD1 LEU A 40 28.456 6.051 -12.287 1.00 0.00 C ATOM 965 CD2 LEU A 40 29.286 7.735 -13.938 1.00 0.00 C ATOM 0 H LEU A 40 25.534 4.808 -14.549 1.00 0.00 H new ATOM 0 HA LEU A 40 25.906 6.521 -12.252 1.00 0.00 H new ATOM 0 HB2 LEU A 40 27.244 5.997 -14.689 1.00 0.00 H new ATOM 0 HB3 LEU A 40 26.760 7.677 -14.811 1.00 0.00 H new ATOM 0 HG LEU A 40 27.723 8.068 -12.492 1.00 0.00 H new ATOM 0 HD11 LEU A 40 29.255 6.331 -11.600 1.00 0.00 H new ATOM 0 HD12 LEU A 40 27.590 5.714 -11.718 1.00 0.00 H new ATOM 0 HD13 LEU A 40 28.800 5.245 -12.935 1.00 0.00 H new ATOM 0 HD21 LEU A 40 30.085 8.015 -13.251 1.00 0.00 H new ATOM 0 HD22 LEU A 40 29.631 6.930 -14.587 1.00 0.00 H new ATOM 0 HD23 LEU A 40 29.011 8.597 -14.545 1.00 0.00 H new ATOM 966 N ASP A 41 23.898 7.590 -14.666 1.00 0.00 N ATOM 967 CA ASP A 41 22.874 8.648 -14.940 1.00 0.00 C ATOM 968 C ASP A 41 22.079 8.315 -16.216 1.00 0.00 C ATOM 969 O ASP A 41 22.575 7.635 -17.113 1.00 0.00 O ATOM 970 CB ASP A 41 23.575 9.995 -15.121 1.00 0.00 C ATOM 971 CG ASP A 41 22.529 11.110 -15.191 1.00 0.00 C ATOM 972 OD1 ASP A 41 21.765 11.238 -14.247 1.00 0.00 O ATOM 973 OD2 ASP A 41 22.510 11.817 -16.184 1.00 0.00 O ATOM 0 H ASP A 41 23.973 6.860 -15.374 1.00 0.00 H new ATOM 0 HA ASP A 41 22.184 8.694 -14.098 1.00 0.00 H new ATOM 0 HB2 ASP A 41 24.259 10.175 -14.292 1.00 0.00 H new ATOM 0 HB3 ASP A 41 24.174 9.986 -16.032 1.00 0.00 H new ATOM 974 N ILE A 42 20.853 8.788 -16.319 1.00 0.00 N ATOM 975 CA ILE A 42 20.042 8.503 -17.536 1.00 0.00 C ATOM 976 C ILE A 42 19.639 9.837 -18.185 1.00 0.00 C ATOM 977 O ILE A 42 19.614 10.874 -17.523 1.00 0.00 O ATOM 978 CB ILE A 42 18.791 7.710 -17.135 1.00 0.00 C ATOM 979 CG1 ILE A 42 17.936 7.427 -18.374 1.00 0.00 C ATOM 980 CG2 ILE A 42 17.969 8.514 -16.124 1.00 0.00 C ATOM 981 CD1 ILE A 42 16.787 6.490 -18.002 1.00 0.00 C ATOM 0 H ILE A 42 20.388 9.356 -15.611 1.00 0.00 H new ATOM 0 HA ILE A 42 20.621 7.914 -18.248 1.00 0.00 H new ATOM 0 HB ILE A 42 19.099 6.767 -16.684 1.00 0.00 H new ATOM 0 HG12 ILE A 42 17.542 8.360 -18.777 1.00 0.00 H new ATOM 0 HG13 ILE A 42 18.548 6.976 -19.155 1.00 0.00 H new ATOM 0 HG21 ILE A 42 17.082 7.946 -15.843 1.00 0.00 H new ATOM 0 HG22 ILE A 42 18.572 8.708 -15.237 1.00 0.00 H new ATOM 0 HG23 ILE A 42 17.667 9.461 -16.572 1.00 0.00 H new ATOM 0 HD11 ILE A 42 16.180 6.290 -18.885 1.00 0.00 H new ATOM 0 HD12 ILE A 42 17.191 5.553 -17.620 1.00 0.00 H new ATOM 0 HD13 ILE A 42 16.169 6.958 -17.236 1.00 0.00 H new ATOM 982 N LEU A 43 19.330 9.844 -19.465 1.00 0.00 N ATOM 983 CA LEU A 43 18.943 11.124 -20.125 1.00 0.00 C ATOM 984 C LEU A 43 17.689 10.913 -20.986 1.00 0.00 C ATOM 985 O LEU A 43 17.598 9.950 -21.744 1.00 0.00 O ATOM 986 CB LEU A 43 20.093 11.609 -21.011 1.00 0.00 C ATOM 987 CG LEU A 43 21.293 11.979 -20.136 1.00 0.00 C ATOM 988 CD1 LEU A 43 22.256 10.792 -20.058 1.00 0.00 C ATOM 989 CD2 LEU A 43 22.018 13.182 -20.744 1.00 0.00 C ATOM 0 H LEU A 43 19.331 9.023 -20.071 1.00 0.00 H new ATOM 0 HA LEU A 43 18.730 11.870 -19.359 1.00 0.00 H new ATOM 0 HB2 LEU A 43 20.373 10.830 -21.720 1.00 0.00 H new ATOM 0 HB3 LEU A 43 19.776 12.473 -21.596 1.00 0.00 H new ATOM 0 HG LEU A 43 20.945 12.231 -19.134 1.00 0.00 H new ATOM 0 HD11 LEU A 43 23.110 11.057 -19.435 1.00 0.00 H new ATOM 0 HD12 LEU A 43 21.742 9.934 -19.624 1.00 0.00 H new ATOM 0 HD13 LEU A 43 22.603 10.538 -21.060 1.00 0.00 H new ATOM 0 HD21 LEU A 43 22.872 13.445 -20.120 1.00 0.00 H new ATOM 0 HD22 LEU A 43 22.364 12.930 -21.746 1.00 0.00 H new ATOM 0 HD23 LEU A 43 21.334 14.029 -20.799 1.00 0.00 H new ATOM 990 N VAL A 44 16.718 11.798 -20.892 1.00 0.00 N ATOM 991 CA VAL A 44 15.482 11.643 -21.713 1.00 0.00 C ATOM 992 C VAL A 44 15.001 13.031 -22.166 1.00 0.00 C ATOM 993 O VAL A 44 14.750 13.909 -21.342 1.00 0.00 O ATOM 994 CB VAL A 44 14.387 10.967 -20.880 1.00 0.00 C ATOM 995 CG1 VAL A 44 14.784 9.517 -20.595 1.00 0.00 C ATOM 996 CG2 VAL A 44 14.212 11.714 -19.556 1.00 0.00 C ATOM 0 H VAL A 44 16.734 12.616 -20.283 1.00 0.00 H new ATOM 0 HA VAL A 44 15.699 11.026 -22.585 1.00 0.00 H new ATOM 0 HB VAL A 44 13.449 10.987 -21.435 1.00 0.00 H new ATOM 0 HG11 VAL A 44 14.005 9.036 -20.003 1.00 0.00 H new ATOM 0 HG12 VAL A 44 14.906 8.982 -21.536 1.00 0.00 H new ATOM 0 HG13 VAL A 44 15.723 9.499 -20.043 1.00 0.00 H new ATOM 0 HG21 VAL A 44 13.433 11.231 -18.966 1.00 0.00 H new ATOM 0 HG22 VAL A 44 15.150 11.697 -19.002 1.00 0.00 H new ATOM 0 HG23 VAL A 44 13.928 12.747 -19.756 1.00 0.00 H new ATOM 997 N SER A 45 14.872 13.256 -23.457 1.00 0.00 N ATOM 998 CA SER A 45 14.415 14.594 -23.936 1.00 0.00 C ATOM 999 C SER A 45 13.141 14.433 -24.778 1.00 0.00 C ATOM 1000 O SER A 45 12.653 13.321 -24.974 1.00 0.00 O ATOM 1001 CB SER A 45 15.514 15.229 -24.790 1.00 0.00 C ATOM 1002 OG SER A 45 16.617 15.566 -23.959 1.00 0.00 O ATOM 0 H SER A 45 15.063 12.573 -24.190 1.00 0.00 H new ATOM 0 HA SER A 45 14.202 15.233 -23.079 1.00 0.00 H new ATOM 0 HB2 SER A 45 15.830 14.537 -25.571 1.00 0.00 H new ATOM 0 HB3 SER A 45 15.134 16.120 -25.289 1.00 0.00 H new ATOM 0 HG SER A 45 17.324 15.972 -24.503 1.00 0.00 H new ATOM 1003 N ARG A 46 12.586 15.517 -25.281 1.00 0.00 N ATOM 1004 CA ARG A 46 11.347 15.403 -26.103 1.00 0.00 C ATOM 1005 C ARG A 46 11.490 16.238 -27.387 1.00 0.00 C ATOM 1006 O ARG A 46 10.528 16.857 -27.840 1.00 0.00 O ATOM 1007 CB ARG A 46 10.151 15.913 -25.296 1.00 0.00 C ATOM 1008 CG ARG A 46 9.796 14.896 -24.211 1.00 0.00 C ATOM 1009 CD ARG A 46 8.992 15.585 -23.108 1.00 0.00 C ATOM 1010 NE ARG A 46 7.589 15.788 -23.569 1.00 0.00 N ATOM 1011 CZ ARG A 46 6.981 16.917 -23.330 1.00 0.00 C ATOM 1012 NH1 ARG A 46 7.398 18.016 -23.898 1.00 0.00 N ATOM 1013 NH2 ARG A 46 5.954 16.947 -22.525 1.00 0.00 N ATOM 0 H ARG A 46 12.940 16.465 -25.155 1.00 0.00 H new ATOM 0 HA ARG A 46 11.191 14.358 -26.371 1.00 0.00 H new ATOM 0 HB2 ARG A 46 10.388 16.876 -24.843 1.00 0.00 H new ATOM 0 HB3 ARG A 46 9.296 16.072 -25.954 1.00 0.00 H new ATOM 0 HG2 ARG A 46 9.218 14.078 -24.640 1.00 0.00 H new ATOM 0 HG3 ARG A 46 10.704 14.460 -23.795 1.00 0.00 H new ATOM 0 HD2 ARG A 46 9.004 14.979 -22.202 1.00 0.00 H new ATOM 0 HD3 ARG A 46 9.446 16.544 -22.857 1.00 0.00 H new ATOM 0 HE ARG A 46 7.104 15.044 -24.071 1.00 0.00 H new ATOM 0 HH11 ARG A 46 8.199 17.992 -24.529 1.00 0.00 H new ATOM 0 HH12 ARG A 46 6.923 18.899 -23.711 1.00 0.00 H new ATOM 0 HH21 ARG A 46 5.627 16.088 -22.083 1.00 0.00 H new ATOM 0 HH22 ARG A 46 5.478 17.830 -22.338 1.00 0.00 H new ATOM 1014 N SER A 47 12.662 16.270 -27.990 1.00 0.00 N ATOM 1015 CA SER A 47 12.830 17.068 -29.242 1.00 0.00 C ATOM 1016 C SER A 47 12.571 16.163 -30.457 1.00 0.00 C ATOM 1017 O SER A 47 12.151 15.017 -30.305 1.00 0.00 O ATOM 1018 CB SER A 47 14.251 17.631 -29.313 1.00 0.00 C ATOM 1019 OG SER A 47 15.171 16.569 -29.531 1.00 0.00 O ATOM 0 H SER A 47 13.498 15.781 -27.669 1.00 0.00 H new ATOM 0 HA SER A 47 12.120 17.895 -29.243 1.00 0.00 H new ATOM 0 HB2 SER A 47 14.324 18.361 -30.119 1.00 0.00 H new ATOM 0 HB3 SER A 47 14.494 18.152 -28.387 1.00 0.00 H new ATOM 0 HG SER A 47 16.081 16.929 -29.578 1.00 0.00 H new ATOM 1020 N LEU A 48 12.801 16.645 -31.661 1.00 0.00 N ATOM 1021 CA LEU A 48 12.544 15.786 -32.863 1.00 0.00 C ATOM 1022 C LEU A 48 13.610 14.682 -32.954 1.00 0.00 C ATOM 1023 O LEU A 48 13.284 13.504 -33.097 1.00 0.00 O ATOM 1024 CB LEU A 48 12.587 16.631 -34.144 1.00 0.00 C ATOM 1025 CG LEU A 48 11.667 16.012 -35.200 1.00 0.00 C ATOM 1026 CD1 LEU A 48 10.987 17.123 -36.001 1.00 0.00 C ATOM 1027 CD2 LEU A 48 12.490 15.135 -36.147 1.00 0.00 C ATOM 0 H LEU A 48 13.150 17.582 -31.860 1.00 0.00 H new ATOM 0 HA LEU A 48 11.556 15.338 -32.761 1.00 0.00 H new ATOM 0 HB2 LEU A 48 12.274 17.653 -33.928 1.00 0.00 H new ATOM 0 HB3 LEU A 48 13.608 16.684 -34.523 1.00 0.00 H new ATOM 0 HG LEU A 48 10.910 15.403 -34.706 1.00 0.00 H new ATOM 0 HD11 LEU A 48 10.332 16.681 -36.752 1.00 0.00 H new ATOM 0 HD12 LEU A 48 10.399 17.748 -35.329 1.00 0.00 H new ATOM 0 HD13 LEU A 48 11.745 17.733 -36.493 1.00 0.00 H new ATOM 0 HD21 LEU A 48 11.834 14.695 -36.898 1.00 0.00 H new ATOM 0 HD22 LEU A 48 13.249 15.743 -36.639 1.00 0.00 H new ATOM 0 HD23 LEU A 48 12.975 14.341 -35.579 1.00 0.00 H new ATOM 1028 N LYS A 49 14.877 15.030 -32.882 1.00 0.00 N ATOM 1029 CA LYS A 49 15.943 13.978 -32.975 1.00 0.00 C ATOM 1030 C LYS A 49 15.848 13.027 -31.772 1.00 0.00 C ATOM 1031 O LYS A 49 16.050 11.821 -31.909 1.00 0.00 O ATOM 1032 CB LYS A 49 17.334 14.629 -32.992 1.00 0.00 C ATOM 1033 CG LYS A 49 17.807 14.787 -34.439 1.00 0.00 C ATOM 1034 CD LYS A 49 18.824 15.928 -34.524 1.00 0.00 C ATOM 1035 CE LYS A 49 19.483 15.923 -35.904 1.00 0.00 C ATOM 1036 NZ LYS A 49 20.474 17.032 -35.985 1.00 0.00 N ATOM 0 H LYS A 49 15.215 15.985 -32.764 1.00 0.00 H new ATOM 0 HA LYS A 49 15.795 13.418 -33.898 1.00 0.00 H new ATOM 0 HB2 LYS A 49 17.298 15.602 -32.502 1.00 0.00 H new ATOM 0 HB3 LYS A 49 18.041 14.016 -32.432 1.00 0.00 H new ATOM 0 HG2 LYS A 49 18.257 13.858 -34.789 1.00 0.00 H new ATOM 0 HG3 LYS A 49 16.957 14.994 -35.090 1.00 0.00 H new ATOM 0 HD2 LYS A 49 18.330 16.884 -34.349 1.00 0.00 H new ATOM 0 HD3 LYS A 49 19.581 15.813 -33.748 1.00 0.00 H new ATOM 0 HE2 LYS A 49 19.976 14.967 -36.080 1.00 0.00 H new ATOM 0 HE3 LYS A 49 18.727 16.039 -36.680 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 20.922 17.029 -36.923 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 19.991 17.941 -35.835 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 21.201 16.902 -35.253 1.00 0.00 H new ATOM 1037 N MET A 50 15.550 13.533 -30.593 1.00 0.00 N ATOM 1038 CA MET A 50 15.456 12.639 -29.402 1.00 0.00 C ATOM 1039 C MET A 50 13.981 12.313 -29.114 1.00 0.00 C ATOM 1040 O MET A 50 13.470 12.604 -28.033 1.00 0.00 O ATOM 1041 CB MET A 50 16.079 13.342 -28.189 1.00 0.00 C ATOM 1042 CG MET A 50 16.885 12.338 -27.358 1.00 0.00 C ATOM 1043 SD MET A 50 18.501 13.050 -26.961 1.00 0.00 S ATOM 1044 CE MET A 50 19.318 12.640 -28.523 1.00 0.00 C ATOM 0 H MET A 50 15.370 14.520 -30.411 1.00 0.00 H new ATOM 0 HA MET A 50 15.994 11.712 -29.599 1.00 0.00 H new ATOM 0 HB2 MET A 50 16.726 14.154 -28.521 1.00 0.00 H new ATOM 0 HB3 MET A 50 15.296 13.789 -27.576 1.00 0.00 H new ATOM 0 HG2 MET A 50 16.348 12.093 -26.442 1.00 0.00 H new ATOM 0 HG3 MET A 50 17.011 11.408 -27.912 1.00 0.00 H new ATOM 0 HE1 MET A 50 20.379 12.468 -28.344 1.00 0.00 H new ATOM 0 HE2 MET A 50 18.870 11.739 -28.942 1.00 0.00 H new ATOM 0 HE3 MET A 50 19.197 13.466 -29.224 1.00 0.00 H new ATOM 1045 N ARG A 51 13.282 11.711 -30.053 1.00 0.00 N ATOM 1046 CA ARG A 51 11.850 11.373 -29.810 1.00 0.00 C ATOM 1047 C ARG A 51 11.667 9.848 -29.894 1.00 0.00 C ATOM 1048 O ARG A 51 12.016 9.227 -30.896 1.00 0.00 O ATOM 1049 CB ARG A 51 10.974 12.061 -30.869 1.00 0.00 C ATOM 1050 CG ARG A 51 10.050 13.083 -30.200 1.00 0.00 C ATOM 1051 CD ARG A 51 9.473 14.021 -31.260 1.00 0.00 C ATOM 1052 NE ARG A 51 9.284 15.378 -30.674 1.00 0.00 N ATOM 1053 CZ ARG A 51 8.246 15.625 -29.922 1.00 0.00 C ATOM 1054 NH1 ARG A 51 8.239 15.246 -28.674 1.00 0.00 N ATOM 1055 NH2 ARG A 51 7.214 16.251 -30.419 1.00 0.00 N ATOM 0 H ARG A 51 13.643 11.443 -30.968 1.00 0.00 H new ATOM 0 HA ARG A 51 11.554 11.719 -28.820 1.00 0.00 H new ATOM 0 HB2 ARG A 51 11.604 12.557 -31.608 1.00 0.00 H new ATOM 0 HB3 ARG A 51 10.382 11.317 -31.402 1.00 0.00 H new ATOM 0 HG2 ARG A 51 9.244 12.571 -29.675 1.00 0.00 H new ATOM 0 HG3 ARG A 51 10.603 13.655 -29.455 1.00 0.00 H new ATOM 0 HD2 ARG A 51 10.144 14.074 -32.118 1.00 0.00 H new ATOM 0 HD3 ARG A 51 8.521 13.634 -31.623 1.00 0.00 H new ATOM 0 HE ARG A 51 9.966 16.114 -30.860 1.00 0.00 H new ATOM 0 HH11 ARG A 51 9.045 14.756 -28.285 1.00 0.00 H new ATOM 0 HH12 ARG A 51 7.428 15.439 -28.087 1.00 0.00 H new ATOM 0 HH21 ARG A 51 7.219 16.547 -31.395 1.00 0.00 H new ATOM 0 HH22 ARG A 51 6.403 16.444 -29.831 1.00 0.00 H new ATOM 1056 N GLY A 52 11.132 9.230 -28.863 1.00 0.00 N ATOM 1057 CA GLY A 52 10.938 7.750 -28.897 1.00 0.00 C ATOM 1058 C GLY A 52 12.278 7.042 -28.646 1.00 0.00 C ATOM 1059 O GLY A 52 12.568 6.015 -29.258 1.00 0.00 O ATOM 0 H GLY A 52 10.824 9.688 -28.005 1.00 0.00 H new ATOM 0 HA2 GLY A 52 10.212 7.452 -28.141 1.00 0.00 H new ATOM 0 HA3 GLY A 52 10.533 7.449 -29.863 1.00 0.00 H new ATOM 1060 N GLN A 53 13.107 7.562 -27.761 1.00 0.00 N ATOM 1061 CA GLN A 53 14.422 6.899 -27.493 1.00 0.00 C ATOM 1062 C GLN A 53 14.990 7.373 -26.143 1.00 0.00 C ATOM 1063 O GLN A 53 14.578 8.405 -25.614 1.00 0.00 O ATOM 1064 CB GLN A 53 15.407 7.257 -28.608 1.00 0.00 C ATOM 1065 CG GLN A 53 15.497 8.778 -28.742 1.00 0.00 C ATOM 1066 CD GLN A 53 16.237 9.133 -30.038 1.00 0.00 C ATOM 1067 OE1 GLN A 53 15.705 8.947 -31.129 1.00 0.00 O ATOM 1068 NE2 GLN A 53 17.447 9.637 -29.983 1.00 0.00 N ATOM 0 H GLN A 53 12.928 8.408 -27.221 1.00 0.00 H new ATOM 0 HA GLN A 53 14.275 5.819 -27.459 1.00 0.00 H new ATOM 0 HB2 GLN A 53 16.390 6.842 -28.386 1.00 0.00 H new ATOM 0 HB3 GLN A 53 15.081 6.817 -29.551 1.00 0.00 H new ATOM 0 HG2 GLN A 53 14.498 9.213 -28.750 1.00 0.00 H new ATOM 0 HG3 GLN A 53 16.021 9.199 -27.884 1.00 0.00 H new ATOM 0 HE21 GLN A 53 17.894 9.794 -29.079 1.00 0.00 H new ATOM 0 HE22 GLN A 53 17.941 9.872 -30.844 1.00 0.00 H new ATOM 1069 N ALA A 54 15.928 6.646 -25.572 1.00 0.00 N ATOM 1070 CA ALA A 54 16.503 7.075 -24.261 1.00 0.00 C ATOM 1071 C ALA A 54 17.966 6.613 -24.156 1.00 0.00 C ATOM 1072 O ALA A 54 18.352 5.613 -24.756 1.00 0.00 O ATOM 1073 CB ALA A 54 15.690 6.456 -23.122 1.00 0.00 C ATOM 0 H ALA A 54 16.314 5.784 -25.956 1.00 0.00 H new ATOM 0 HA ALA A 54 16.464 8.162 -24.190 1.00 0.00 H new ATOM 0 HB1 ALA A 54 16.108 6.768 -22.165 1.00 0.00 H new ATOM 0 HB2 ALA A 54 14.654 6.789 -23.191 1.00 0.00 H new ATOM 0 HB3 ALA A 54 15.727 5.369 -23.197 1.00 0.00 H new ATOM 1074 N PHE A 55 18.790 7.314 -23.406 1.00 0.00 N ATOM 1075 CA PHE A 55 20.217 6.895 -23.276 1.00 0.00 C ATOM 1076 C PHE A 55 20.472 6.389 -21.849 1.00 0.00 C ATOM 1077 O PHE A 55 19.902 6.909 -20.891 1.00 0.00 O ATOM 1078 CB PHE A 55 21.131 8.092 -23.551 1.00 0.00 C ATOM 1079 CG PHE A 55 20.905 8.602 -24.955 1.00 0.00 C ATOM 1080 CD1 PHE A 55 19.751 9.335 -25.256 1.00 0.00 C ATOM 1081 CD2 PHE A 55 21.854 8.350 -25.952 1.00 0.00 C ATOM 1082 CE1 PHE A 55 19.547 9.817 -26.555 1.00 0.00 C ATOM 1083 CE2 PHE A 55 21.649 8.829 -27.251 1.00 0.00 C ATOM 1084 CZ PHE A 55 20.496 9.564 -27.552 1.00 0.00 C ATOM 0 H PHE A 55 18.533 8.152 -22.884 1.00 0.00 H new ATOM 0 HA PHE A 55 20.426 6.101 -23.993 1.00 0.00 H new ATOM 0 HB2 PHE A 55 20.932 8.885 -22.831 1.00 0.00 H new ATOM 0 HB3 PHE A 55 22.174 7.801 -23.424 1.00 0.00 H new ATOM 0 HD1 PHE A 55 19.018 9.529 -24.487 1.00 0.00 H new ATOM 0 HD2 PHE A 55 22.745 7.786 -25.719 1.00 0.00 H new ATOM 0 HE1 PHE A 55 18.658 10.384 -26.787 1.00 0.00 H new ATOM 0 HE2 PHE A 55 22.380 8.632 -28.021 1.00 0.00 H new ATOM 0 HZ PHE A 55 20.339 9.936 -28.554 1.00 0.00 H new ATOM 1085 N VAL A 56 21.316 5.393 -21.676 1.00 0.00 N ATOM 1086 CA VAL A 56 21.589 4.887 -20.296 1.00 0.00 C ATOM 1087 C VAL A 56 23.100 4.686 -20.113 1.00 0.00 C ATOM 1088 O VAL A 56 23.675 3.742 -20.645 1.00 0.00 O ATOM 1089 CB VAL A 56 20.875 3.551 -20.082 1.00 0.00 C ATOM 1090 CG1 VAL A 56 21.030 3.117 -18.623 1.00 0.00 C ATOM 1091 CG2 VAL A 56 19.389 3.705 -20.411 1.00 0.00 C ATOM 0 H VAL A 56 21.820 4.917 -22.424 1.00 0.00 H new ATOM 0 HA VAL A 56 21.223 5.614 -19.571 1.00 0.00 H new ATOM 0 HB VAL A 56 21.315 2.798 -20.735 1.00 0.00 H new ATOM 0 HG11 VAL A 56 20.521 2.165 -18.471 1.00 0.00 H new ATOM 0 HG12 VAL A 56 22.088 3.005 -18.387 1.00 0.00 H new ATOM 0 HG13 VAL A 56 20.591 3.872 -17.970 1.00 0.00 H new ATOM 0 HG21 VAL A 56 18.882 2.752 -20.258 1.00 0.00 H new ATOM 0 HG22 VAL A 56 18.948 4.459 -19.759 1.00 0.00 H new ATOM 0 HG23 VAL A 56 19.277 4.013 -21.450 1.00 0.00 H new ATOM 1092 N ILE A 57 23.760 5.548 -19.367 1.00 0.00 N ATOM 1093 CA ILE A 57 25.231 5.377 -19.169 1.00 0.00 C ATOM 1094 C ILE A 57 25.482 4.497 -17.937 1.00 0.00 C ATOM 1095 O ILE A 57 25.057 4.829 -16.832 1.00 0.00 O ATOM 1096 CB ILE A 57 25.891 6.744 -18.963 1.00 0.00 C ATOM 1097 CG1 ILE A 57 25.551 7.656 -20.144 1.00 0.00 C ATOM 1098 CG2 ILE A 57 27.408 6.572 -18.874 1.00 0.00 C ATOM 1099 CD1 ILE A 57 25.884 9.104 -19.783 1.00 0.00 C ATOM 0 H ILE A 57 23.345 6.351 -18.894 1.00 0.00 H new ATOM 0 HA ILE A 57 25.659 4.902 -20.052 1.00 0.00 H new ATOM 0 HB ILE A 57 25.522 7.189 -18.039 1.00 0.00 H new ATOM 0 HG12 ILE A 57 26.114 7.351 -21.026 1.00 0.00 H new ATOM 0 HG13 ILE A 57 24.494 7.566 -20.394 1.00 0.00 H new ATOM 0 HG21 ILE A 57 27.877 7.545 -18.727 1.00 0.00 H new ATOM 0 HG22 ILE A 57 27.652 5.922 -18.034 1.00 0.00 H new ATOM 0 HG23 ILE A 57 27.778 6.126 -19.797 1.00 0.00 H new ATOM 0 HD11 ILE A 57 25.642 9.754 -20.624 1.00 0.00 H new ATOM 0 HD12 ILE A 57 25.301 9.405 -18.912 1.00 0.00 H new ATOM 0 HD13 ILE A 57 26.947 9.187 -19.555 1.00 0.00 H new ATOM 1100 N PHE A 58 26.166 3.384 -18.097 1.00 0.00 N ATOM 1101 CA PHE A 58 26.434 2.505 -16.923 1.00 0.00 C ATOM 1102 C PHE A 58 27.820 2.836 -16.349 1.00 0.00 C ATOM 1103 O PHE A 58 28.754 3.130 -17.093 1.00 0.00 O ATOM 1104 CB PHE A 58 26.394 1.036 -17.350 1.00 0.00 C ATOM 1105 CG PHE A 58 24.971 0.635 -17.658 1.00 0.00 C ATOM 1106 CD1 PHE A 58 24.442 0.868 -18.931 1.00 0.00 C ATOM 1107 CD2 PHE A 58 24.182 0.026 -16.672 1.00 0.00 C ATOM 1108 CE1 PHE A 58 23.126 0.492 -19.223 1.00 0.00 C ATOM 1109 CE2 PHE A 58 22.866 -0.351 -16.965 1.00 0.00 C ATOM 1110 CZ PHE A 58 22.339 -0.118 -18.241 1.00 0.00 C ATOM 0 H PHE A 58 26.545 3.054 -18.985 1.00 0.00 H new ATOM 0 HA PHE A 58 25.671 2.675 -16.164 1.00 0.00 H new ATOM 0 HB2 PHE A 58 27.023 0.885 -18.227 1.00 0.00 H new ATOM 0 HB3 PHE A 58 26.796 0.406 -16.557 1.00 0.00 H new ATOM 0 HD1 PHE A 58 25.050 1.339 -19.690 1.00 0.00 H new ATOM 0 HD2 PHE A 58 24.589 -0.152 -15.688 1.00 0.00 H new ATOM 0 HE1 PHE A 58 22.718 0.673 -20.207 1.00 0.00 H new ATOM 0 HE2 PHE A 58 22.257 -0.821 -16.207 1.00 0.00 H new ATOM 0 HZ PHE A 58 21.324 -0.410 -18.467 1.00 0.00 H new ATOM 1111 N LYS A 59 27.979 2.801 -15.043 1.00 0.00 N ATOM 1112 CA LYS A 59 29.317 3.123 -14.439 1.00 0.00 C ATOM 1113 C LYS A 59 30.422 2.302 -15.127 1.00 0.00 C ATOM 1114 O LYS A 59 31.527 2.797 -15.345 1.00 0.00 O ATOM 1115 CB LYS A 59 29.315 2.800 -12.939 1.00 0.00 C ATOM 1116 CG LYS A 59 30.522 3.462 -12.274 1.00 0.00 C ATOM 1117 CD LYS A 59 30.421 3.304 -10.756 1.00 0.00 C ATOM 1118 CE LYS A 59 31.538 4.105 -10.085 1.00 0.00 C ATOM 1119 NZ LYS A 59 32.732 3.235 -9.900 1.00 0.00 N ATOM 0 H LYS A 59 27.246 2.565 -14.374 1.00 0.00 H new ATOM 0 HA LYS A 59 29.510 4.186 -14.582 1.00 0.00 H new ATOM 0 HB2 LYS A 59 28.393 3.157 -12.480 1.00 0.00 H new ATOM 0 HB3 LYS A 59 29.350 1.721 -12.788 1.00 0.00 H new ATOM 0 HG2 LYS A 59 31.444 3.008 -12.637 1.00 0.00 H new ATOM 0 HG3 LYS A 59 30.562 4.519 -12.538 1.00 0.00 H new ATOM 0 HD2 LYS A 59 29.449 3.653 -10.407 1.00 0.00 H new ATOM 0 HD3 LYS A 59 30.499 2.252 -10.483 1.00 0.00 H new ATOM 0 HE2 LYS A 59 31.797 4.970 -10.696 1.00 0.00 H new ATOM 0 HE3 LYS A 59 31.199 4.485 -9.121 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 33.491 3.780 -9.444 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 32.480 2.423 -9.301 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 33.060 2.893 -10.826 1.00 0.00 H new ATOM 1120 N GLU A 60 30.159 1.058 -15.470 1.00 0.00 N ATOM 1121 CA GLU A 60 31.205 0.234 -16.133 1.00 0.00 C ATOM 1122 C GLU A 60 30.694 -0.257 -17.497 1.00 0.00 C ATOM 1123 O GLU A 60 29.492 -0.426 -17.695 1.00 0.00 O ATOM 1124 CB GLU A 60 31.538 -0.972 -15.250 1.00 0.00 C ATOM 1125 CG GLU A 60 32.684 -0.613 -14.299 1.00 0.00 C ATOM 1126 CD GLU A 60 34.009 -1.091 -14.892 1.00 0.00 C ATOM 1127 OE1 GLU A 60 34.089 -2.253 -15.255 1.00 0.00 O ATOM 1128 OE2 GLU A 60 34.923 -0.286 -14.975 1.00 0.00 O ATOM 0 H GLU A 60 29.267 0.587 -15.317 1.00 0.00 H new ATOM 0 HA GLU A 60 32.100 0.839 -16.281 1.00 0.00 H new ATOM 0 HB2 GLU A 60 30.659 -1.271 -14.679 1.00 0.00 H new ATOM 0 HB3 GLU A 60 31.820 -1.823 -15.870 1.00 0.00 H new ATOM 0 HG2 GLU A 60 32.713 0.465 -14.139 1.00 0.00 H new ATOM 0 HG3 GLU A 60 32.521 -1.076 -13.326 1.00 0.00 H new ATOM 1129 N VAL A 61 31.578 -0.493 -18.443 1.00 0.00 N ATOM 1130 CA VAL A 61 31.119 -0.978 -19.787 1.00 0.00 C ATOM 1131 C VAL A 61 30.449 -2.355 -19.636 1.00 0.00 C ATOM 1132 O VAL A 61 29.468 -2.649 -20.313 1.00 0.00 O ATOM 1133 CB VAL A 61 32.311 -1.091 -20.755 1.00 0.00 C ATOM 1134 CG1 VAL A 61 31.828 -1.586 -22.126 1.00 0.00 C ATOM 1135 CG2 VAL A 61 32.969 0.283 -20.912 1.00 0.00 C ATOM 0 H VAL A 61 32.586 -0.372 -18.344 1.00 0.00 H new ATOM 0 HA VAL A 61 30.404 -0.262 -20.192 1.00 0.00 H new ATOM 0 HB VAL A 61 33.033 -1.801 -20.353 1.00 0.00 H new ATOM 0 HG11 VAL A 61 32.677 -1.663 -22.805 1.00 0.00 H new ATOM 0 HG12 VAL A 61 31.361 -2.565 -22.016 1.00 0.00 H new ATOM 0 HG13 VAL A 61 31.102 -0.882 -22.532 1.00 0.00 H new ATOM 0 HG21 VAL A 61 33.813 0.206 -21.597 1.00 0.00 H new ATOM 0 HG22 VAL A 61 32.242 0.991 -21.310 1.00 0.00 H new ATOM 0 HG23 VAL A 61 33.320 0.631 -19.941 1.00 0.00 H new ATOM 1136 N SER A 62 30.955 -3.206 -18.772 1.00 0.00 N ATOM 1137 CA SER A 62 30.329 -4.559 -18.603 1.00 0.00 C ATOM 1138 C SER A 62 28.865 -4.423 -18.142 1.00 0.00 C ATOM 1139 O SER A 62 28.032 -5.262 -18.472 1.00 0.00 O ATOM 1140 CB SER A 62 31.107 -5.381 -17.568 1.00 0.00 C ATOM 1141 OG SER A 62 30.706 -4.992 -16.261 1.00 0.00 O ATOM 0 H SER A 62 31.767 -3.025 -18.182 1.00 0.00 H new ATOM 0 HA SER A 62 30.358 -5.067 -19.567 1.00 0.00 H new ATOM 0 HB2 SER A 62 30.920 -6.445 -17.717 1.00 0.00 H new ATOM 0 HB3 SER A 62 32.178 -5.225 -17.694 1.00 0.00 H new ATOM 0 HG SER A 62 31.200 -5.517 -15.597 1.00 0.00 H new ATOM 1142 N SER A 63 28.526 -3.402 -17.379 1.00 0.00 N ATOM 1143 CA SER A 63 27.104 -3.262 -16.909 1.00 0.00 C ATOM 1144 C SER A 63 26.155 -3.060 -18.109 1.00 0.00 C ATOM 1145 O SER A 63 25.021 -3.543 -18.096 1.00 0.00 O ATOM 1146 CB SER A 63 26.974 -2.064 -15.956 1.00 0.00 C ATOM 1147 OG SER A 63 26.912 -2.537 -14.615 1.00 0.00 O ATOM 0 H SER A 63 29.163 -2.670 -17.066 1.00 0.00 H new ATOM 0 HA SER A 63 26.829 -4.177 -16.384 1.00 0.00 H new ATOM 0 HB2 SER A 63 27.824 -1.393 -16.079 1.00 0.00 H new ATOM 0 HB3 SER A 63 26.078 -1.491 -16.194 1.00 0.00 H new ATOM 0 HG SER A 63 26.831 -1.776 -14.003 1.00 0.00 H new ATOM 1148 N ALA A 64 26.580 -2.367 -19.144 1.00 0.00 N ATOM 1149 CA ALA A 64 25.676 -2.158 -20.319 1.00 0.00 C ATOM 1150 C ALA A 64 25.638 -3.426 -21.180 1.00 0.00 C ATOM 1151 O ALA A 64 24.623 -3.722 -21.810 1.00 0.00 O ATOM 1152 CB ALA A 64 26.171 -0.979 -21.170 1.00 0.00 C ATOM 0 H ALA A 64 27.504 -1.942 -19.223 1.00 0.00 H new ATOM 0 HA ALA A 64 24.674 -1.937 -19.951 1.00 0.00 H new ATOM 0 HB1 ALA A 64 25.504 -0.839 -22.021 1.00 0.00 H new ATOM 0 HB2 ALA A 64 26.182 -0.073 -20.565 1.00 0.00 H new ATOM 0 HB3 ALA A 64 27.179 -1.188 -21.530 1.00 0.00 H new ATOM 1153 N THR A 65 26.713 -4.185 -21.236 1.00 0.00 N ATOM 1154 CA THR A 65 26.696 -5.420 -22.073 1.00 0.00 C ATOM 1155 C THR A 65 25.649 -6.401 -21.523 1.00 0.00 C ATOM 1156 O THR A 65 24.938 -7.052 -22.287 1.00 0.00 O ATOM 1157 CB THR A 65 28.078 -6.097 -22.072 1.00 0.00 C ATOM 1158 OG1 THR A 65 29.108 -5.116 -22.247 1.00 0.00 O ATOM 1159 CG2 THR A 65 28.137 -7.134 -23.199 1.00 0.00 C ATOM 0 H THR A 65 27.587 -4.001 -20.743 1.00 0.00 H new ATOM 0 HA THR A 65 26.442 -5.141 -23.096 1.00 0.00 H new ATOM 0 HB THR A 65 28.235 -6.596 -21.116 1.00 0.00 H new ATOM 0 HG1 THR A 65 29.983 -5.557 -22.243 1.00 0.00 H new ATOM 0 HG21 THR A 65 29.115 -7.615 -23.200 1.00 0.00 H new ATOM 0 HG22 THR A 65 27.363 -7.886 -23.043 1.00 0.00 H new ATOM 0 HG23 THR A 65 27.974 -6.640 -24.157 1.00 0.00 H new ATOM 1160 N ASN A 66 25.533 -6.524 -20.219 1.00 0.00 N ATOM 1161 CA ASN A 66 24.520 -7.466 -19.650 1.00 0.00 C ATOM 1162 C ASN A 66 23.116 -6.869 -19.825 1.00 0.00 C ATOM 1163 O ASN A 66 22.163 -7.592 -20.097 1.00 0.00 O ATOM 1164 CB ASN A 66 24.795 -7.710 -18.161 1.00 0.00 C ATOM 1165 CG ASN A 66 26.007 -8.638 -18.011 1.00 0.00 C ATOM 1166 OD1 ASN A 66 27.003 -8.265 -17.397 1.00 0.00 O ATOM 1167 ND2 ASN A 66 25.982 -9.837 -18.542 1.00 0.00 N ATOM 0 H ASN A 66 26.091 -6.017 -19.532 1.00 0.00 H new ATOM 0 HA ASN A 66 24.584 -8.418 -20.178 1.00 0.00 H new ATOM 0 HB2 ASN A 66 24.984 -6.763 -17.655 1.00 0.00 H new ATOM 0 HB3 ASN A 66 23.921 -8.156 -17.687 1.00 0.00 H new ATOM 0 HD21 ASN A 66 26.787 -10.455 -18.444 1.00 0.00 H new ATOM 0 HD22 ASN A 66 25.157 -10.151 -19.053 1.00 0.00 H new ATOM 1168 N ALA A 67 22.959 -5.568 -19.684 1.00 0.00 N ATOM 1169 CA ALA A 67 21.597 -4.966 -19.868 1.00 0.00 C ATOM 1170 C ALA A 67 21.146 -5.078 -21.344 1.00 0.00 C ATOM 1171 O ALA A 67 19.960 -4.943 -21.639 1.00 0.00 O ATOM 1172 CB ALA A 67 21.610 -3.486 -19.460 1.00 0.00 C ATOM 0 H ALA A 67 23.703 -4.909 -19.453 1.00 0.00 H new ATOM 0 HA ALA A 67 20.899 -5.514 -19.236 1.00 0.00 H new ATOM 0 HB1 ALA A 67 20.616 -3.062 -19.599 1.00 0.00 H new ATOM 0 HB2 ALA A 67 21.899 -3.400 -18.412 1.00 0.00 H new ATOM 0 HB3 ALA A 67 22.325 -2.944 -20.079 1.00 0.00 H new ATOM 1173 N LEU A 68 22.048 -5.314 -22.284 1.00 0.00 N ATOM 1174 CA LEU A 68 21.623 -5.417 -23.718 1.00 0.00 C ATOM 1175 C LEU A 68 21.220 -6.864 -24.048 1.00 0.00 C ATOM 1176 O LEU A 68 20.104 -7.119 -24.497 1.00 0.00 O ATOM 1177 CB LEU A 68 22.783 -4.998 -24.632 1.00 0.00 C ATOM 1178 CG LEU A 68 22.241 -4.589 -26.006 1.00 0.00 C ATOM 1179 CD1 LEU A 68 22.134 -3.066 -26.083 1.00 0.00 C ATOM 1180 CD2 LEU A 68 23.192 -5.085 -27.099 1.00 0.00 C ATOM 0 H LEU A 68 23.046 -5.437 -22.116 1.00 0.00 H new ATOM 0 HA LEU A 68 20.769 -4.759 -23.879 1.00 0.00 H new ATOM 0 HB2 LEU A 68 23.329 -4.167 -24.184 1.00 0.00 H new ATOM 0 HB3 LEU A 68 23.489 -5.822 -24.740 1.00 0.00 H new ATOM 0 HG LEU A 68 21.255 -5.031 -26.150 1.00 0.00 H new ATOM 0 HD11 LEU A 68 21.748 -2.777 -27.061 1.00 0.00 H new ATOM 0 HD12 LEU A 68 21.458 -2.709 -25.306 1.00 0.00 H new ATOM 0 HD13 LEU A 68 23.120 -2.624 -25.937 1.00 0.00 H new ATOM 0 HD21 LEU A 68 22.806 -4.794 -28.076 1.00 0.00 H new ATOM 0 HD22 LEU A 68 24.178 -4.643 -26.952 1.00 0.00 H new ATOM 0 HD23 LEU A 68 23.270 -6.171 -27.048 1.00 0.00 H new ATOM 1181 N ARG A 69 22.105 -7.819 -23.851 1.00 0.00 N ATOM 1182 CA ARG A 69 21.754 -9.246 -24.178 1.00 0.00 C ATOM 1183 C ARG A 69 20.456 -9.649 -23.462 1.00 0.00 C ATOM 1184 O ARG A 69 19.612 -10.342 -24.029 1.00 0.00 O ATOM 1185 CB ARG A 69 22.882 -10.187 -23.732 1.00 0.00 C ATOM 1186 CG ARG A 69 24.156 -9.875 -24.521 1.00 0.00 C ATOM 1187 CD ARG A 69 25.379 -10.096 -23.627 1.00 0.00 C ATOM 1188 NE ARG A 69 25.445 -11.527 -23.220 1.00 0.00 N ATOM 1189 CZ ARG A 69 26.194 -12.363 -23.888 1.00 0.00 C ATOM 1190 NH1 ARG A 69 27.444 -12.074 -24.124 1.00 0.00 N ATOM 1191 NH2 ARG A 69 25.691 -13.488 -24.319 1.00 0.00 N ATOM 0 H ARG A 69 23.045 -7.676 -23.482 1.00 0.00 H new ATOM 0 HA ARG A 69 21.618 -9.326 -25.256 1.00 0.00 H new ATOM 0 HB2 ARG A 69 23.066 -10.069 -22.664 1.00 0.00 H new ATOM 0 HB3 ARG A 69 22.588 -11.224 -23.892 1.00 0.00 H new ATOM 0 HG2 ARG A 69 24.216 -10.514 -25.402 1.00 0.00 H new ATOM 0 HG3 ARG A 69 24.133 -8.845 -24.876 1.00 0.00 H new ATOM 0 HD2 ARG A 69 26.288 -9.816 -24.160 1.00 0.00 H new ATOM 0 HD3 ARG A 69 25.318 -9.459 -22.745 1.00 0.00 H new ATOM 0 HE ARG A 69 24.905 -11.855 -22.419 1.00 0.00 H new ATOM 0 HH11 ARG A 69 27.837 -11.195 -23.787 1.00 0.00 H new ATOM 0 HH12 ARG A 69 28.029 -12.727 -24.646 1.00 0.00 H new ATOM 0 HH21 ARG A 69 24.714 -13.714 -24.134 1.00 0.00 H new ATOM 0 HH22 ARG A 69 26.275 -14.141 -24.841 1.00 0.00 H new ATOM 1192 N SER A 70 20.277 -9.240 -22.227 1.00 0.00 N ATOM 1193 CA SER A 70 19.028 -9.616 -21.487 1.00 0.00 C ATOM 1194 C SER A 70 17.829 -8.841 -22.053 1.00 0.00 C ATOM 1195 O SER A 70 16.724 -9.375 -22.139 1.00 0.00 O ATOM 1196 CB SER A 70 19.178 -9.295 -19.995 1.00 0.00 C ATOM 1197 OG SER A 70 19.641 -10.452 -19.311 1.00 0.00 O ATOM 0 H SER A 70 20.937 -8.666 -21.702 1.00 0.00 H new ATOM 0 HA SER A 70 18.862 -10.686 -21.610 1.00 0.00 H new ATOM 0 HB2 SER A 70 19.879 -8.472 -19.857 1.00 0.00 H new ATOM 0 HB3 SER A 70 18.222 -8.972 -19.582 1.00 0.00 H new ATOM 0 HG SER A 70 19.588 -10.303 -18.344 1.00 0.00 H new ATOM 1198 N MET A 71 18.010 -7.595 -22.444 1.00 0.00 N ATOM 1199 CA MET A 71 16.862 -6.820 -22.998 1.00 0.00 C ATOM 1200 C MET A 71 16.966 -6.752 -24.530 1.00 0.00 C ATOM 1201 O MET A 71 16.596 -5.748 -25.138 1.00 0.00 O ATOM 1202 CB MET A 71 16.877 -5.402 -22.423 1.00 0.00 C ATOM 1203 CG MET A 71 16.353 -5.426 -20.985 1.00 0.00 C ATOM 1204 SD MET A 71 15.379 -3.932 -20.672 1.00 0.00 S ATOM 1205 CE MET A 71 13.850 -4.759 -20.167 1.00 0.00 C ATOM 0 H MET A 71 18.896 -7.092 -22.401 1.00 0.00 H new ATOM 0 HA MET A 71 15.931 -7.316 -22.724 1.00 0.00 H new ATOM 0 HB2 MET A 71 17.890 -5.000 -22.445 1.00 0.00 H new ATOM 0 HB3 MET A 71 16.260 -4.744 -23.035 1.00 0.00 H new ATOM 0 HG2 MET A 71 15.740 -6.313 -20.825 1.00 0.00 H new ATOM 0 HG3 MET A 71 17.186 -5.483 -20.284 1.00 0.00 H new ATOM 0 HE1 MET A 71 13.095 -4.011 -19.923 1.00 0.00 H new ATOM 0 HE2 MET A 71 13.489 -5.386 -20.982 1.00 0.00 H new ATOM 0 HE3 MET A 71 14.044 -5.379 -19.291 1.00 0.00 H new ATOM 1206 N GLN A 72 17.448 -7.795 -25.176 1.00 0.00 N ATOM 1207 CA GLN A 72 17.547 -7.758 -26.670 1.00 0.00 C ATOM 1208 C GLN A 72 16.147 -7.958 -27.261 1.00 0.00 C ATOM 1209 O GLN A 72 15.694 -9.087 -27.441 1.00 0.00 O ATOM 1210 CB GLN A 72 18.478 -8.871 -27.171 1.00 0.00 C ATOM 1211 CG GLN A 72 19.880 -8.302 -27.406 1.00 0.00 C ATOM 1212 CD GLN A 72 20.039 -7.933 -28.886 1.00 0.00 C ATOM 1213 OE1 GLN A 72 19.784 -8.756 -29.762 1.00 0.00 O ATOM 1214 NE2 GLN A 72 20.450 -6.734 -29.220 1.00 0.00 N ATOM 0 H GLN A 72 17.772 -8.657 -24.737 1.00 0.00 H new ATOM 0 HA GLN A 72 17.955 -6.796 -26.982 1.00 0.00 H new ATOM 0 HB2 GLN A 72 18.520 -9.679 -26.441 1.00 0.00 H new ATOM 0 HB3 GLN A 72 18.088 -9.297 -28.095 1.00 0.00 H new ATOM 0 HG2 GLN A 72 20.037 -7.422 -26.782 1.00 0.00 H new ATOM 0 HG3 GLN A 72 20.634 -9.035 -27.119 1.00 0.00 H new ATOM 0 HE21 GLN A 72 20.663 -6.048 -28.496 1.00 0.00 H new ATOM 0 HE22 GLN A 72 20.557 -6.487 -30.204 1.00 0.00 H new ATOM 1215 N GLY A 73 15.439 -6.888 -27.556 1.00 0.00 N ATOM 1216 CA GLY A 73 14.065 -7.038 -28.118 1.00 0.00 C ATOM 1217 C GLY A 73 13.114 -7.465 -26.992 1.00 0.00 C ATOM 1218 O GLY A 73 12.542 -8.553 -27.029 1.00 0.00 O ATOM 0 H GLY A 73 15.756 -5.926 -27.431 1.00 0.00 H new ATOM 0 HA2 GLY A 73 13.732 -6.097 -28.557 1.00 0.00 H new ATOM 0 HA3 GLY A 73 14.063 -7.781 -28.916 1.00 0.00 H new ATOM 1219 N PHE A 74 12.937 -6.639 -25.983 1.00 0.00 N ATOM 1220 CA PHE A 74 12.030 -7.019 -24.861 1.00 0.00 C ATOM 1221 C PHE A 74 10.962 -5.928 -24.669 1.00 0.00 C ATOM 1222 O PHE A 74 11.135 -4.811 -25.150 1.00 0.00 O ATOM 1223 CB PHE A 74 12.852 -7.170 -23.572 1.00 0.00 C ATOM 1224 CG PHE A 74 12.799 -8.603 -23.092 1.00 0.00 C ATOM 1225 CD1 PHE A 74 13.101 -9.650 -23.972 1.00 0.00 C ATOM 1226 CD2 PHE A 74 12.448 -8.883 -21.765 1.00 0.00 C ATOM 1227 CE1 PHE A 74 13.052 -10.976 -23.525 1.00 0.00 C ATOM 1228 CE2 PHE A 74 12.400 -10.209 -21.319 1.00 0.00 C ATOM 1229 CZ PHE A 74 12.702 -11.255 -22.199 1.00 0.00 C ATOM 0 H PHE A 74 13.381 -5.725 -25.893 1.00 0.00 H new ATOM 0 HA PHE A 74 11.540 -7.965 -25.092 1.00 0.00 H new ATOM 0 HB2 PHE A 74 13.886 -6.876 -23.753 1.00 0.00 H new ATOM 0 HB3 PHE A 74 12.462 -6.505 -22.802 1.00 0.00 H new ATOM 0 HD1 PHE A 74 13.372 -9.435 -24.995 1.00 0.00 H new ATOM 0 HD2 PHE A 74 12.215 -8.076 -21.086 1.00 0.00 H new ATOM 0 HE1 PHE A 74 13.284 -11.784 -24.204 1.00 0.00 H new ATOM 0 HE2 PHE A 74 12.130 -10.425 -20.296 1.00 0.00 H new ATOM 0 HZ PHE A 74 12.665 -12.278 -21.854 1.00 0.00 H new ATOM 1230 N PRO A 75 9.885 -6.256 -23.975 1.00 0.00 N ATOM 1231 CA PRO A 75 8.796 -5.294 -23.729 1.00 0.00 C ATOM 1232 C PRO A 75 9.191 -4.310 -22.615 1.00 0.00 C ATOM 1233 O PRO A 75 9.731 -4.708 -21.584 1.00 0.00 O ATOM 1234 CB PRO A 75 7.622 -6.174 -23.290 1.00 0.00 C ATOM 1235 CG PRO A 75 8.236 -7.494 -22.768 1.00 0.00 C ATOM 1236 CD PRO A 75 9.646 -7.595 -23.376 1.00 0.00 C ATOM 0 HA PRO A 75 8.559 -4.686 -24.602 1.00 0.00 H new ATOM 0 HB2 PRO A 75 7.038 -5.683 -22.511 1.00 0.00 H new ATOM 0 HB3 PRO A 75 6.946 -6.363 -24.124 1.00 0.00 H new ATOM 0 HG2 PRO A 75 8.283 -7.495 -21.679 1.00 0.00 H new ATOM 0 HG3 PRO A 75 7.626 -8.348 -23.062 1.00 0.00 H new ATOM 0 HD2 PRO A 75 10.391 -7.829 -22.616 1.00 0.00 H new ATOM 0 HD3 PRO A 75 9.699 -8.382 -24.128 1.00 0.00 H new ATOM 1237 N PHE A 76 8.932 -3.032 -22.799 1.00 0.00 N ATOM 1238 CA PHE A 76 9.293 -2.040 -21.749 1.00 0.00 C ATOM 1239 C PHE A 76 8.108 -1.086 -21.528 1.00 0.00 C ATOM 1240 O PHE A 76 7.570 -1.000 -20.425 1.00 0.00 O ATOM 1241 CB PHE A 76 10.531 -1.247 -22.201 1.00 0.00 C ATOM 1242 CG PHE A 76 10.870 -0.158 -21.199 1.00 0.00 C ATOM 1243 CD1 PHE A 76 10.768 -0.400 -19.820 1.00 0.00 C ATOM 1244 CD2 PHE A 76 11.291 1.098 -21.655 1.00 0.00 C ATOM 1245 CE1 PHE A 76 11.084 0.612 -18.905 1.00 0.00 C ATOM 1246 CE2 PHE A 76 11.608 2.107 -20.739 1.00 0.00 C ATOM 1247 CZ PHE A 76 11.504 1.865 -19.365 1.00 0.00 C ATOM 0 H PHE A 76 8.488 -2.642 -23.630 1.00 0.00 H new ATOM 0 HA PHE A 76 9.521 -2.553 -20.815 1.00 0.00 H new ATOM 0 HB2 PHE A 76 11.380 -1.922 -22.312 1.00 0.00 H new ATOM 0 HB3 PHE A 76 10.347 -0.803 -23.179 1.00 0.00 H new ATOM 0 HD1 PHE A 76 10.446 -1.367 -19.464 1.00 0.00 H new ATOM 0 HD2 PHE A 76 11.371 1.288 -22.715 1.00 0.00 H new ATOM 0 HE1 PHE A 76 11.004 0.425 -17.844 1.00 0.00 H new ATOM 0 HE2 PHE A 76 11.933 3.074 -21.093 1.00 0.00 H new ATOM 0 HZ PHE A 76 11.748 2.645 -18.659 1.00 0.00 H new ATOM 1248 N TYR A 77 7.687 -0.369 -22.547 1.00 0.00 N ATOM 1249 CA TYR A 77 6.542 0.564 -22.372 1.00 0.00 C ATOM 1250 C TYR A 77 5.364 0.107 -23.247 1.00 0.00 C ATOM 1251 O TYR A 77 5.022 0.757 -24.235 1.00 0.00 O ATOM 1252 CB TYR A 77 6.974 1.976 -22.776 1.00 0.00 C ATOM 1253 CG TYR A 77 7.323 2.767 -21.537 1.00 0.00 C ATOM 1254 CD1 TYR A 77 8.218 2.242 -20.598 1.00 0.00 C ATOM 1255 CD2 TYR A 77 6.742 4.021 -21.325 1.00 0.00 C ATOM 1256 CE1 TYR A 77 8.532 2.970 -19.446 1.00 0.00 C ATOM 1257 CE2 TYR A 77 7.057 4.753 -20.174 1.00 0.00 C ATOM 1258 CZ TYR A 77 7.952 4.227 -19.233 1.00 0.00 C ATOM 1259 OH TYR A 77 8.262 4.946 -18.097 1.00 0.00 O ATOM 0 H TYR A 77 8.089 -0.394 -23.484 1.00 0.00 H new ATOM 0 HA TYR A 77 6.228 0.567 -21.328 1.00 0.00 H new ATOM 0 HB2 TYR A 77 7.834 1.928 -23.445 1.00 0.00 H new ATOM 0 HB3 TYR A 77 6.172 2.471 -23.323 1.00 0.00 H new ATOM 0 HD1 TYR A 77 8.667 1.274 -20.763 1.00 0.00 H new ATOM 0 HD2 TYR A 77 6.050 4.425 -22.049 1.00 0.00 H new ATOM 0 HE1 TYR A 77 9.221 2.563 -18.721 1.00 0.00 H new ATOM 0 HE2 TYR A 77 6.610 5.723 -20.011 1.00 0.00 H new ATOM 0 HH TYR A 77 7.441 5.138 -17.597 1.00 0.00 H new ATOM 1260 N ASP A 78 4.729 -0.994 -22.906 1.00 0.00 N ATOM 1261 CA ASP A 78 3.575 -1.475 -23.720 1.00 0.00 C ATOM 1262 C ASP A 78 4.018 -1.686 -25.176 1.00 0.00 C ATOM 1263 O ASP A 78 3.284 -1.362 -26.108 1.00 0.00 O ATOM 1264 CB ASP A 78 2.454 -0.434 -23.677 1.00 0.00 C ATOM 1265 CG ASP A 78 1.998 -0.235 -22.230 1.00 0.00 C ATOM 1266 OD1 ASP A 78 1.212 -1.041 -21.762 1.00 0.00 O ATOM 1267 OD2 ASP A 78 2.443 0.720 -21.616 1.00 0.00 O ATOM 0 H ASP A 78 4.963 -1.575 -22.101 1.00 0.00 H new ATOM 0 HA ASP A 78 3.215 -2.420 -23.312 1.00 0.00 H new ATOM 0 HB2 ASP A 78 2.805 0.511 -24.092 1.00 0.00 H new ATOM 0 HB3 ASP A 78 1.616 -0.761 -24.292 1.00 0.00 H new ATOM 1268 N LYS A 79 5.200 -2.224 -25.400 1.00 0.00 N ATOM 1269 CA LYS A 79 5.659 -2.444 -26.810 1.00 0.00 C ATOM 1270 C LYS A 79 7.071 -3.071 -26.817 1.00 0.00 C ATOM 1271 O LYS A 79 7.844 -2.841 -25.891 1.00 0.00 O ATOM 1272 CB LYS A 79 5.698 -1.096 -27.546 1.00 0.00 C ATOM 1273 CG LYS A 79 4.963 -1.209 -28.888 1.00 0.00 C ATOM 1274 CD LYS A 79 4.158 0.067 -29.143 1.00 0.00 C ATOM 1275 CE LYS A 79 5.021 1.071 -29.909 1.00 0.00 C ATOM 1276 NZ LYS A 79 5.129 0.649 -31.333 1.00 0.00 N ATOM 0 H LYS A 79 5.857 -2.516 -24.676 1.00 0.00 H new ATOM 0 HA LYS A 79 4.966 -3.121 -27.310 1.00 0.00 H new ATOM 0 HB2 LYS A 79 5.235 -0.324 -26.932 1.00 0.00 H new ATOM 0 HB3 LYS A 79 6.732 -0.793 -27.713 1.00 0.00 H new ATOM 0 HG2 LYS A 79 5.680 -1.366 -29.694 1.00 0.00 H new ATOM 0 HG3 LYS A 79 4.299 -2.074 -28.879 1.00 0.00 H new ATOM 0 HD2 LYS A 79 3.259 -0.166 -29.714 1.00 0.00 H new ATOM 0 HD3 LYS A 79 3.832 0.499 -28.197 1.00 0.00 H new ATOM 0 HE2 LYS A 79 4.582 2.067 -29.846 1.00 0.00 H new ATOM 0 HE3 LYS A 79 6.013 1.131 -29.460 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 5.375 1.471 -31.921 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 5.869 -0.076 -31.425 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 4.219 0.257 -31.649 1.00 0.00 H new ATOM 1277 N PRO A 80 7.388 -3.839 -27.845 1.00 0.00 N ATOM 1278 CA PRO A 80 8.711 -4.481 -27.954 1.00 0.00 C ATOM 1279 C PRO A 80 9.755 -3.450 -28.404 1.00 0.00 C ATOM 1280 O PRO A 80 9.429 -2.488 -29.098 1.00 0.00 O ATOM 1281 CB PRO A 80 8.508 -5.561 -29.018 1.00 0.00 C ATOM 1282 CG PRO A 80 7.284 -5.126 -29.857 1.00 0.00 C ATOM 1283 CD PRO A 80 6.484 -4.139 -28.986 1.00 0.00 C ATOM 0 HA PRO A 80 9.071 -4.894 -27.012 1.00 0.00 H new ATOM 0 HB2 PRO A 80 9.394 -5.659 -29.646 1.00 0.00 H new ATOM 0 HB3 PRO A 80 8.336 -6.533 -28.556 1.00 0.00 H new ATOM 0 HG2 PRO A 80 7.600 -4.654 -30.788 1.00 0.00 H new ATOM 0 HG3 PRO A 80 6.673 -5.987 -30.128 1.00 0.00 H new ATOM 0 HD2 PRO A 80 6.230 -3.235 -29.540 1.00 0.00 H new ATOM 0 HD3 PRO A 80 5.546 -4.579 -28.646 1.00 0.00 H new ATOM 1284 N MET A 81 11.003 -3.617 -28.022 1.00 0.00 N ATOM 1285 CA MET A 81 12.040 -2.626 -28.437 1.00 0.00 C ATOM 1286 C MET A 81 13.426 -3.289 -28.475 1.00 0.00 C ATOM 1287 O MET A 81 13.775 -4.079 -27.595 1.00 0.00 O ATOM 1288 CB MET A 81 12.059 -1.461 -27.441 1.00 0.00 C ATOM 1289 CG MET A 81 12.195 -2.001 -26.013 1.00 0.00 C ATOM 1290 SD MET A 81 13.260 -0.897 -25.051 1.00 0.00 S ATOM 1291 CE MET A 81 14.042 -2.170 -24.029 1.00 0.00 C ATOM 0 H MET A 81 11.341 -4.389 -27.447 1.00 0.00 H new ATOM 0 HA MET A 81 11.798 -2.256 -29.433 1.00 0.00 H new ATOM 0 HB2 MET A 81 12.889 -0.791 -27.667 1.00 0.00 H new ATOM 0 HB3 MET A 81 11.143 -0.877 -27.533 1.00 0.00 H new ATOM 0 HG2 MET A 81 11.213 -2.075 -25.546 1.00 0.00 H new ATOM 0 HG3 MET A 81 12.616 -3.006 -26.031 1.00 0.00 H new ATOM 0 HE1 MET A 81 14.752 -1.703 -23.347 1.00 0.00 H new ATOM 0 HE2 MET A 81 13.279 -2.695 -23.455 1.00 0.00 H new ATOM 0 HE3 MET A 81 14.567 -2.879 -24.669 1.00 0.00 H new ATOM 1292 N ARG A 82 14.228 -2.981 -29.472 1.00 0.00 N ATOM 1293 CA ARG A 82 15.587 -3.586 -29.552 1.00 0.00 C ATOM 1294 C ARG A 82 16.619 -2.551 -29.087 1.00 0.00 C ATOM 1295 O ARG A 82 16.486 -1.362 -29.377 1.00 0.00 O ATOM 1296 CB ARG A 82 15.885 -3.993 -30.997 1.00 0.00 C ATOM 1297 CG ARG A 82 16.824 -5.201 -31.006 1.00 0.00 C ATOM 1298 CD ARG A 82 15.999 -6.489 -31.018 1.00 0.00 C ATOM 1299 NE ARG A 82 15.673 -6.858 -32.424 1.00 0.00 N ATOM 1300 CZ ARG A 82 16.421 -7.715 -33.064 1.00 0.00 C ATOM 1301 NH1 ARG A 82 17.564 -7.336 -33.568 1.00 0.00 N ATOM 1302 NH2 ARG A 82 16.025 -8.951 -33.202 1.00 0.00 N ATOM 0 H ARG A 82 13.995 -2.338 -30.228 1.00 0.00 H new ATOM 0 HA ARG A 82 15.635 -4.469 -28.915 1.00 0.00 H new ATOM 0 HB2 ARG A 82 14.958 -4.236 -31.516 1.00 0.00 H new ATOM 0 HB3 ARG A 82 16.341 -3.161 -31.533 1.00 0.00 H new ATOM 0 HG2 ARG A 82 17.473 -5.164 -31.881 1.00 0.00 H new ATOM 0 HG3 ARG A 82 17.471 -5.179 -30.129 1.00 0.00 H new ATOM 0 HD2 ARG A 82 16.556 -7.294 -30.539 1.00 0.00 H new ATOM 0 HD3 ARG A 82 15.082 -6.351 -30.445 1.00 0.00 H new ATOM 0 HE ARG A 82 14.865 -6.441 -32.887 1.00 0.00 H new ATOM 0 HH11 ARG A 82 17.873 -6.370 -33.462 1.00 0.00 H new ATOM 0 HH12 ARG A 82 18.148 -8.006 -34.068 1.00 0.00 H new ATOM 0 HH21 ARG A 82 15.131 -9.247 -32.810 1.00 0.00 H new ATOM 0 HH22 ARG A 82 16.609 -9.621 -33.702 1.00 0.00 H new ATOM 1303 N ILE A 83 17.639 -2.963 -28.368 1.00 0.00 N ATOM 1304 CA ILE A 83 18.652 -1.976 -27.893 1.00 0.00 C ATOM 1305 C ILE A 83 19.937 -2.105 -28.724 1.00 0.00 C ATOM 1306 O ILE A 83 20.383 -3.208 -29.033 1.00 0.00 O ATOM 1307 CB ILE A 83 18.971 -2.235 -26.420 1.00 0.00 C ATOM 1308 CG1 ILE A 83 17.670 -2.267 -25.613 1.00 0.00 C ATOM 1309 CG2 ILE A 83 19.870 -1.114 -25.892 1.00 0.00 C ATOM 1310 CD1 ILE A 83 17.976 -2.662 -24.167 1.00 0.00 C ATOM 0 H ILE A 83 17.809 -3.931 -28.094 1.00 0.00 H new ATOM 0 HA ILE A 83 18.249 -0.970 -28.007 1.00 0.00 H new ATOM 0 HB ILE A 83 19.483 -3.192 -26.321 1.00 0.00 H new ATOM 0 HG12 ILE A 83 17.189 -1.289 -25.640 1.00 0.00 H new ATOM 0 HG13 ILE A 83 16.972 -2.978 -26.056 1.00 0.00 H new ATOM 0 HG21 ILE A 83 20.099 -1.296 -24.842 1.00 0.00 H new ATOM 0 HG22 ILE A 83 20.796 -1.089 -26.467 1.00 0.00 H new ATOM 0 HG23 ILE A 83 19.356 -0.158 -25.991 1.00 0.00 H new ATOM 0 HD11 ILE A 83 17.050 -2.685 -23.592 1.00 0.00 H new ATOM 0 HD12 ILE A 83 18.438 -3.649 -24.149 1.00 0.00 H new ATOM 0 HD13 ILE A 83 18.658 -1.934 -23.727 1.00 0.00 H new ATOM 1311 N GLN A 84 20.550 -0.998 -29.085 1.00 0.00 N ATOM 1312 CA GLN A 84 21.808 -1.064 -29.884 1.00 0.00 C ATOM 1313 C GLN A 84 22.870 -0.195 -29.198 1.00 0.00 C ATOM 1314 O GLN A 84 22.583 0.923 -28.780 1.00 0.00 O ATOM 1315 CB GLN A 84 21.558 -0.530 -31.299 1.00 0.00 C ATOM 1316 CG GLN A 84 20.301 -1.176 -31.890 1.00 0.00 C ATOM 1317 CD GLN A 84 19.102 -0.240 -31.688 1.00 0.00 C ATOM 1318 OE1 GLN A 84 18.102 -0.634 -31.091 1.00 0.00 O ATOM 1319 NE2 GLN A 84 19.141 0.986 -32.153 1.00 0.00 N ATOM 0 H GLN A 84 20.230 -0.056 -28.859 1.00 0.00 H new ATOM 0 HA GLN A 84 22.147 -2.098 -29.948 1.00 0.00 H new ATOM 0 HB2 GLN A 84 21.441 0.553 -31.272 1.00 0.00 H new ATOM 0 HB3 GLN A 84 22.418 -0.742 -31.934 1.00 0.00 H new ATOM 0 HG2 GLN A 84 20.446 -1.375 -32.952 1.00 0.00 H new ATOM 0 HG3 GLN A 84 20.112 -2.136 -31.409 1.00 0.00 H new ATOM 0 HE21 GLN A 84 19.968 1.317 -32.649 1.00 0.00 H new ATOM 0 HE22 GLN A 84 18.344 1.608 -32.019 1.00 0.00 H new ATOM 1320 N TYR A 85 24.092 -0.674 -29.066 1.00 0.00 N ATOM 1321 CA TYR A 85 25.153 0.152 -28.390 1.00 0.00 C ATOM 1322 C TYR A 85 25.184 1.568 -28.997 1.00 0.00 C ATOM 1323 O TYR A 85 25.183 1.730 -30.216 1.00 0.00 O ATOM 1324 CB TYR A 85 26.531 -0.497 -28.572 1.00 0.00 C ATOM 1325 CG TYR A 85 26.665 -1.680 -27.642 1.00 0.00 C ATOM 1326 CD1 TYR A 85 26.424 -1.531 -26.268 1.00 0.00 C ATOM 1327 CD2 TYR A 85 27.037 -2.930 -28.154 1.00 0.00 C ATOM 1328 CE1 TYR A 85 26.555 -2.631 -25.412 1.00 0.00 C ATOM 1329 CE2 TYR A 85 27.168 -4.028 -27.296 1.00 0.00 C ATOM 1330 CZ TYR A 85 26.927 -3.879 -25.927 1.00 0.00 C ATOM 1331 OH TYR A 85 27.058 -4.963 -25.086 1.00 0.00 O ATOM 0 H TYR A 85 24.397 -1.591 -29.393 1.00 0.00 H new ATOM 0 HA TYR A 85 24.917 0.211 -27.327 1.00 0.00 H new ATOM 0 HB2 TYR A 85 26.658 -0.819 -29.606 1.00 0.00 H new ATOM 0 HB3 TYR A 85 27.316 0.230 -28.366 1.00 0.00 H new ATOM 0 HD1 TYR A 85 26.138 -0.568 -25.871 1.00 0.00 H new ATOM 0 HD2 TYR A 85 27.223 -3.046 -29.212 1.00 0.00 H new ATOM 0 HE1 TYR A 85 26.369 -2.517 -24.354 1.00 0.00 H new ATOM 0 HE2 TYR A 85 27.455 -4.991 -27.692 1.00 0.00 H new ATOM 0 HH TYR A 85 26.556 -5.722 -25.450 1.00 0.00 H new ATOM 1332 N ALA A 86 25.207 2.599 -28.174 1.00 0.00 N ATOM 1333 CA ALA A 86 25.231 3.996 -28.726 1.00 0.00 C ATOM 1334 C ALA A 86 26.393 4.139 -29.723 1.00 0.00 C ATOM 1335 O ALA A 86 27.208 3.231 -29.873 1.00 0.00 O ATOM 1336 CB ALA A 86 25.415 5.016 -27.594 1.00 0.00 C ATOM 0 H ALA A 86 25.210 2.533 -27.156 1.00 0.00 H new ATOM 0 HA ALA A 86 24.283 4.186 -29.230 1.00 0.00 H new ATOM 0 HB1 ALA A 86 25.430 6.023 -28.011 1.00 0.00 H new ATOM 0 HB2 ALA A 86 24.590 4.928 -26.887 1.00 0.00 H new ATOM 0 HB3 ALA A 86 26.356 4.822 -27.079 1.00 0.00 H new ATOM 1337 N LYS A 87 26.490 5.259 -30.407 1.00 0.00 N ATOM 1338 CA LYS A 87 27.605 5.436 -31.384 1.00 0.00 C ATOM 1339 C LYS A 87 28.817 6.051 -30.669 1.00 0.00 C ATOM 1340 O LYS A 87 29.954 5.642 -30.895 1.00 0.00 O ATOM 1341 CB LYS A 87 27.163 6.362 -32.522 1.00 0.00 C ATOM 1342 CG LYS A 87 25.881 5.818 -33.159 1.00 0.00 C ATOM 1343 CD LYS A 87 25.134 6.958 -33.853 1.00 0.00 C ATOM 1344 CE LYS A 87 23.960 6.389 -34.650 1.00 0.00 C ATOM 1345 NZ LYS A 87 24.450 5.883 -35.964 1.00 0.00 N ATOM 0 H LYS A 87 25.849 6.049 -30.329 1.00 0.00 H new ATOM 0 HA LYS A 87 27.875 4.464 -31.798 1.00 0.00 H new ATOM 0 HB2 LYS A 87 26.992 7.368 -32.140 1.00 0.00 H new ATOM 0 HB3 LYS A 87 27.951 6.435 -33.272 1.00 0.00 H new ATOM 0 HG2 LYS A 87 26.123 5.036 -33.879 1.00 0.00 H new ATOM 0 HG3 LYS A 87 25.247 5.364 -32.397 1.00 0.00 H new ATOM 0 HD2 LYS A 87 24.773 7.673 -33.114 1.00 0.00 H new ATOM 0 HD3 LYS A 87 25.809 7.499 -34.516 1.00 0.00 H new ATOM 0 HE2 LYS A 87 23.485 5.582 -34.092 1.00 0.00 H new ATOM 0 HE3 LYS A 87 23.204 7.159 -34.804 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 23.832 5.113 -36.292 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 24.439 6.656 -36.660 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 25.421 5.526 -35.858 1.00 0.00 H new ATOM 1346 N THR A 88 28.605 7.027 -29.812 1.00 0.00 N ATOM 1347 CA THR A 88 29.751 7.653 -29.098 1.00 0.00 C ATOM 1348 C THR A 88 29.803 7.135 -27.654 1.00 0.00 C ATOM 1349 O THR A 88 28.967 6.332 -27.242 1.00 0.00 O ATOM 1350 CB THR A 88 29.572 9.173 -29.089 1.00 0.00 C ATOM 1351 OG1 THR A 88 28.203 9.487 -28.877 1.00 0.00 O ATOM 1352 CG2 THR A 88 30.025 9.749 -30.431 1.00 0.00 C ATOM 0 H THR A 88 27.688 7.411 -29.582 1.00 0.00 H new ATOM 0 HA THR A 88 30.680 7.397 -29.607 1.00 0.00 H new ATOM 0 HB THR A 88 30.173 9.604 -28.288 1.00 0.00 H new ATOM 0 HG1 THR A 88 28.088 10.460 -28.869 1.00 0.00 H new ATOM 0 HG21 THR A 88 29.897 10.831 -30.424 1.00 0.00 H new ATOM 0 HG22 THR A 88 31.076 9.509 -30.594 1.00 0.00 H new ATOM 0 HG23 THR A 88 29.425 9.318 -31.233 1.00 0.00 H new ATOM 1353 N ASP A 89 30.766 7.573 -26.870 1.00 0.00 N ATOM 1354 CA ASP A 89 30.853 7.096 -25.459 1.00 0.00 C ATOM 1355 C ASP A 89 30.282 8.170 -24.520 1.00 0.00 C ATOM 1356 O ASP A 89 29.965 9.276 -24.953 1.00 0.00 O ATOM 1357 CB ASP A 89 32.316 6.829 -25.100 1.00 0.00 C ATOM 1358 CG ASP A 89 32.695 5.411 -25.528 1.00 0.00 C ATOM 1359 OD1 ASP A 89 32.676 5.147 -26.719 1.00 0.00 O ATOM 1360 OD2 ASP A 89 32.999 4.612 -24.657 1.00 0.00 O ATOM 0 H ASP A 89 31.489 8.236 -27.150 1.00 0.00 H new ATOM 0 HA ASP A 89 30.279 6.176 -25.350 1.00 0.00 H new ATOM 0 HB2 ASP A 89 32.961 7.555 -25.595 1.00 0.00 H new ATOM 0 HB3 ASP A 89 32.466 6.949 -24.027 1.00 0.00 H new ATOM 1361 N SER A 90 30.142 7.874 -23.245 1.00 0.00 N ATOM 1362 CA SER A 90 29.587 8.899 -22.303 1.00 0.00 C ATOM 1363 C SER A 90 30.659 9.956 -21.999 1.00 0.00 C ATOM 1364 O SER A 90 31.818 9.625 -21.756 1.00 0.00 O ATOM 1365 CB SER A 90 29.142 8.238 -20.991 1.00 0.00 C ATOM 1366 OG SER A 90 30.057 7.201 -20.645 1.00 0.00 O ATOM 0 H SER A 90 30.385 6.978 -22.822 1.00 0.00 H new ATOM 0 HA SER A 90 28.724 9.371 -22.773 1.00 0.00 H new ATOM 0 HB2 SER A 90 29.099 8.980 -20.194 1.00 0.00 H new ATOM 0 HB3 SER A 90 28.137 7.829 -21.100 1.00 0.00 H new ATOM 0 HG SER A 90 29.681 6.333 -20.903 1.00 0.00 H new ATOM 1367 N ASP A 91 30.300 11.224 -22.003 1.00 0.00 N ATOM 1368 CA ASP A 91 31.309 12.284 -21.709 1.00 0.00 C ATOM 1369 C ASP A 91 31.518 12.414 -20.195 1.00 0.00 C ATOM 1370 O ASP A 91 32.602 12.793 -19.752 1.00 0.00 O ATOM 1371 CB ASP A 91 30.850 13.631 -22.282 1.00 0.00 C ATOM 1372 CG ASP A 91 31.416 13.806 -23.692 1.00 0.00 C ATOM 1373 OD1 ASP A 91 32.629 13.767 -23.831 1.00 0.00 O ATOM 1374 OD2 ASP A 91 30.630 13.976 -24.608 1.00 0.00 O ATOM 0 H ASP A 91 29.357 11.562 -22.196 1.00 0.00 H new ATOM 0 HA ASP A 91 32.252 12.000 -22.177 1.00 0.00 H new ATOM 0 HB2 ASP A 91 29.761 13.675 -22.308 1.00 0.00 H new ATOM 0 HB3 ASP A 91 31.187 14.445 -21.640 1.00 0.00 H new ATOM 1375 N ILE A 92 30.529 12.106 -19.377 1.00 0.00 N ATOM 1376 CA ILE A 92 30.748 12.214 -17.904 1.00 0.00 C ATOM 1377 C ILE A 92 31.952 11.333 -17.491 1.00 0.00 C ATOM 1378 O ILE A 92 32.617 11.627 -16.500 1.00 0.00 O ATOM 1379 CB ILE A 92 29.487 11.802 -17.126 1.00 0.00 C ATOM 1380 CG1 ILE A 92 28.989 10.422 -17.589 1.00 0.00 C ATOM 1381 CG2 ILE A 92 28.390 12.845 -17.360 1.00 0.00 C ATOM 1382 CD1 ILE A 92 29.117 9.413 -16.442 1.00 0.00 C ATOM 0 H ILE A 92 29.602 11.792 -19.664 1.00 0.00 H new ATOM 0 HA ILE A 92 30.964 13.254 -17.659 1.00 0.00 H new ATOM 0 HB ILE A 92 29.730 11.745 -16.065 1.00 0.00 H new ATOM 0 HG12 ILE A 92 27.950 10.490 -17.912 1.00 0.00 H new ATOM 0 HG13 ILE A 92 29.569 10.085 -18.448 1.00 0.00 H new ATOM 0 HG21 ILE A 92 27.493 12.559 -16.811 1.00 0.00 H new ATOM 0 HG22 ILE A 92 28.734 13.819 -17.011 1.00 0.00 H new ATOM 0 HG23 ILE A 92 28.162 12.900 -18.424 1.00 0.00 H new ATOM 0 HD11 ILE A 92 28.763 8.437 -16.775 1.00 0.00 H new ATOM 0 HD12 ILE A 92 30.161 9.336 -16.140 1.00 0.00 H new ATOM 0 HD13 ILE A 92 28.518 9.747 -15.595 1.00 0.00 H new ATOM 1383 N ILE A 93 32.283 10.284 -18.240 1.00 0.00 N ATOM 1384 CA ILE A 93 33.482 9.462 -17.861 1.00 0.00 C ATOM 1385 C ILE A 93 34.730 10.301 -18.155 1.00 0.00 C ATOM 1386 O ILE A 93 35.671 10.337 -17.369 1.00 0.00 O ATOM 1387 CB ILE A 93 33.593 8.147 -18.675 1.00 0.00 C ATOM 1388 CG1 ILE A 93 32.227 7.564 -19.102 1.00 0.00 C ATOM 1389 CG2 ILE A 93 34.323 7.107 -17.826 1.00 0.00 C ATOM 1390 CD1 ILE A 93 31.195 7.671 -17.980 1.00 0.00 C ATOM 0 H ILE A 93 31.783 9.976 -19.074 1.00 0.00 H new ATOM 0 HA ILE A 93 33.386 9.194 -16.809 1.00 0.00 H new ATOM 0 HB ILE A 93 34.136 8.385 -19.589 1.00 0.00 H new ATOM 0 HG12 ILE A 93 31.864 8.093 -19.983 1.00 0.00 H new ATOM 0 HG13 ILE A 93 32.349 6.519 -19.386 1.00 0.00 H new ATOM 0 HG21 ILE A 93 34.409 6.176 -18.386 1.00 0.00 H new ATOM 0 HG22 ILE A 93 35.319 7.474 -17.578 1.00 0.00 H new ATOM 0 HG23 ILE A 93 33.763 6.928 -16.908 1.00 0.00 H new ATOM 0 HD11 ILE A 93 30.247 7.251 -18.316 1.00 0.00 H new ATOM 0 HD12 ILE A 93 31.547 7.120 -17.108 1.00 0.00 H new ATOM 0 HD13 ILE A 93 31.054 8.719 -17.714 1.00 0.00 H new