USER MOD reduce.3.24.130724 H: found=0, std=0, add=736, rem=0, adj=16 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 -58:sc= 0.233 USER MOD Set 1.2: A 85 TYR OH : rot -140:sc= -3.22! USER MOD Set 2.1: A 28 SER OG : rot 130:sc= 0.0835 USER MOD Set 2.2: A 77 TYR OH : rot -153:sc= -3.54! USER MOD Set 3.1: A 12 TYR OH : rot -126:sc= -0.182 USER MOD Set 3.2: A 14 ASN : amide:sc= -0.449 K(o=-4.2,f=-16!) USER MOD Set 3.3: A 53 GLN : amide:sc= -3.54 K(o=-4.2,f=-12!) USER MOD Single : A 8 ASN : amide:sc= 0 K(o=0,f=-0.74) USER MOD Single : A 9 HIS : no HD1:sc= -1.72 K(o=-1.7,f=-9!) USER MOD Single : A 10 THR OG1 : rot 130:sc= 0 USER MOD Single : A 15 ASN : amide:sc= 0.00111 X(o=0.0011,f=0) USER MOD Single : A 17 ASN : amide:sc= -1.25 K(o=-1.3,f=-6.1!) USER MOD Single : A 19 LYS NZ :NH3+ -144:sc= 0 (180deg=-0.0503) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 HIS : no HD1:sc= -0.393 X(o=-0.39,f=-0.27) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 38 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 47 SER OG : rot 180:sc= 0 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 SER OG : rot 180:sc= -1.44! USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 66 ASN : amide:sc= -0.0529 X(o=-0.053,f=0) USER MOD Single : A 70 SER OG : rot 154:sc= 0.97 USER MOD Single : A 71 MET CE :methyl -138:sc= -0.845 (180deg=-1.3) 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 84 GLN : amide:sc= -1.39 K(o=-1.4,f=-3!) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 THR OG1 : rot 180:sc= 0 USER MOD Single : A 90 SER OG : rot 80:sc= -2.94! USER MOD ----------------------------------------------------------------- ATOM 682 N PRO A 7 31.631 -3.145 -28.684 1.00 0.00 N ATOM 683 CA PRO A 7 30.944 -2.814 -27.422 1.00 0.00 C ATOM 684 C PRO A 7 31.229 -1.357 -27.023 1.00 0.00 C ATOM 685 O PRO A 7 32.351 -0.876 -27.163 1.00 0.00 O ATOM 686 CB PRO A 7 31.553 -3.785 -26.407 1.00 0.00 C ATOM 687 CG PRO A 7 32.924 -4.213 -26.980 1.00 0.00 C ATOM 688 CD PRO A 7 32.875 -3.936 -28.493 1.00 0.00 C ATOM 0 HA PRO A 7 29.860 -2.906 -27.491 1.00 0.00 H new ATOM 0 HB2 PRO A 7 31.671 -3.307 -25.435 1.00 0.00 H new ATOM 0 HB3 PRO A 7 30.906 -4.650 -26.261 1.00 0.00 H new ATOM 0 HG2 PRO A 7 33.732 -3.653 -26.510 1.00 0.00 H new ATOM 0 HG3 PRO A 7 33.113 -5.269 -26.785 1.00 0.00 H new ATOM 0 HD2 PRO A 7 33.753 -3.382 -28.824 1.00 0.00 H new ATOM 0 HD3 PRO A 7 32.848 -4.863 -29.066 1.00 0.00 H new ATOM 689 N ASN A 8 30.239 -0.642 -26.532 1.00 0.00 N ATOM 690 CA ASN A 8 30.473 0.776 -26.133 1.00 0.00 C ATOM 691 C ASN A 8 30.219 0.933 -24.627 1.00 0.00 C ATOM 692 O ASN A 8 29.804 -0.011 -23.958 1.00 0.00 O ATOM 693 CB ASN A 8 29.520 1.687 -26.910 1.00 0.00 C ATOM 694 CG ASN A 8 30.215 2.191 -28.180 1.00 0.00 C ATOM 695 OD1 ASN A 8 30.842 1.412 -28.895 1.00 0.00 O ATOM 696 ND2 ASN A 8 30.143 3.458 -28.507 1.00 0.00 N ATOM 0 H ASN A 8 29.287 -0.982 -26.393 1.00 0.00 H new ATOM 0 HA ASN A 8 31.503 1.052 -26.357 1.00 0.00 H new ATOM 0 HB2 ASN A 8 28.612 1.143 -27.171 1.00 0.00 H new ATOM 0 HB3 ASN A 8 29.219 2.530 -26.289 1.00 0.00 H new ATOM 0 HD21 ASN A 8 30.606 3.794 -29.352 1.00 0.00 H new ATOM 0 HD22 ASN A 8 29.624 4.108 -27.917 1.00 0.00 H new ATOM 697 N HIS A 9 30.455 2.105 -24.074 1.00 0.00 N ATOM 698 CA HIS A 9 30.218 2.296 -22.609 1.00 0.00 C ATOM 699 C HIS A 9 28.747 2.672 -22.375 1.00 0.00 C ATOM 700 O HIS A 9 28.113 2.179 -21.443 1.00 0.00 O ATOM 701 CB HIS A 9 31.119 3.414 -22.072 1.00 0.00 C ATOM 702 CG HIS A 9 31.217 3.302 -20.576 1.00 0.00 C ATOM 703 ND1 HIS A 9 32.422 3.080 -19.928 1.00 0.00 N ATOM 704 CD2 HIS A 9 30.268 3.377 -19.586 1.00 0.00 C ATOM 705 CE1 HIS A 9 32.170 3.028 -18.608 1.00 0.00 C ATOM 706 NE2 HIS A 9 30.872 3.204 -18.344 1.00 0.00 N ATOM 0 H HIS A 9 30.798 2.927 -24.571 1.00 0.00 H new ATOM 0 HA HIS A 9 30.450 1.368 -22.087 1.00 0.00 H new ATOM 0 HB2 HIS A 9 32.111 3.343 -22.519 1.00 0.00 H new ATOM 0 HB3 HIS A 9 30.714 4.387 -22.349 1.00 0.00 H new ATOM 0 HD2 HIS A 9 29.213 3.545 -19.747 1.00 0.00 H new ATOM 0 HE1 HIS A 9 32.925 2.864 -17.853 1.00 0.00 H new ATOM 0 HE2 HIS A 9 30.421 3.210 -17.429 1.00 0.00 H new ATOM 707 N THR A 10 28.188 3.531 -23.198 1.00 0.00 N ATOM 708 CA THR A 10 26.761 3.922 -23.007 1.00 0.00 C ATOM 709 C THR A 10 25.886 3.153 -24.007 1.00 0.00 C ATOM 710 O THR A 10 26.333 2.810 -25.100 1.00 0.00 O ATOM 711 CB THR A 10 26.611 5.429 -23.246 1.00 0.00 C ATOM 712 OG1 THR A 10 27.450 6.135 -22.342 1.00 0.00 O ATOM 713 CG2 THR A 10 25.155 5.846 -23.023 1.00 0.00 C ATOM 0 H THR A 10 28.659 3.973 -23.988 1.00 0.00 H new ATOM 0 HA THR A 10 26.447 3.683 -21.991 1.00 0.00 H new ATOM 0 HB THR A 10 26.898 5.663 -24.271 1.00 0.00 H new ATOM 0 HG1 THR A 10 27.987 6.789 -22.837 1.00 0.00 H new ATOM 0 HG21 THR A 10 25.053 6.918 -23.194 1.00 0.00 H new ATOM 0 HG22 THR A 10 24.511 5.305 -23.717 1.00 0.00 H new ATOM 0 HG23 THR A 10 24.862 5.612 -21.999 1.00 0.00 H new ATOM 714 N ILE A 11 24.645 2.878 -23.663 1.00 0.00 N ATOM 715 CA ILE A 11 23.759 2.141 -24.607 1.00 0.00 C ATOM 716 C ILE A 11 22.648 3.082 -25.100 1.00 0.00 C ATOM 717 O ILE A 11 22.199 3.968 -24.373 1.00 0.00 O ATOM 718 CB ILE A 11 23.136 0.929 -23.902 1.00 0.00 C ATOM 719 CG1 ILE A 11 22.305 1.393 -22.692 1.00 0.00 C ATOM 720 CG2 ILE A 11 24.249 -0.012 -23.432 1.00 0.00 C ATOM 721 CD1 ILE A 11 20.944 0.688 -22.698 1.00 0.00 C ATOM 0 H ILE A 11 24.216 3.133 -22.773 1.00 0.00 H new ATOM 0 HA ILE A 11 24.346 1.792 -25.456 1.00 0.00 H new ATOM 0 HB ILE A 11 22.483 0.404 -24.599 1.00 0.00 H new ATOM 0 HG12 ILE A 11 22.837 1.170 -21.767 1.00 0.00 H new ATOM 0 HG13 ILE A 11 22.166 2.473 -22.727 1.00 0.00 H new ATOM 0 HG21 ILE A 11 23.809 -0.874 -22.931 1.00 0.00 H new ATOM 0 HG22 ILE A 11 24.828 -0.349 -24.292 1.00 0.00 H new ATOM 0 HG23 ILE A 11 24.903 0.516 -22.738 1.00 0.00 H new ATOM 0 HD11 ILE A 11 20.359 1.019 -21.840 1.00 0.00 H new ATOM 0 HD12 ILE A 11 20.411 0.933 -23.617 1.00 0.00 H new ATOM 0 HD13 ILE A 11 21.093 -0.390 -22.641 1.00 0.00 H new ATOM 722 N TYR A 12 22.200 2.913 -26.323 1.00 0.00 N ATOM 723 CA TYR A 12 21.127 3.798 -26.859 1.00 0.00 C ATOM 724 C TYR A 12 19.895 2.943 -27.216 1.00 0.00 C ATOM 725 O TYR A 12 19.997 1.977 -27.970 1.00 0.00 O ATOM 726 CB TYR A 12 21.666 4.521 -28.112 1.00 0.00 C ATOM 727 CG TYR A 12 20.535 5.152 -28.900 1.00 0.00 C ATOM 728 CD1 TYR A 12 20.068 6.426 -28.564 1.00 0.00 C ATOM 729 CD2 TYR A 12 19.957 4.451 -29.966 1.00 0.00 C ATOM 730 CE1 TYR A 12 19.019 7.002 -29.294 1.00 0.00 C ATOM 731 CE2 TYR A 12 18.912 5.024 -30.695 1.00 0.00 C ATOM 732 CZ TYR A 12 18.441 6.302 -30.360 1.00 0.00 C ATOM 733 OH TYR A 12 17.406 6.868 -31.080 1.00 0.00 O ATOM 0 H TYR A 12 22.534 2.199 -26.970 1.00 0.00 H new ATOM 0 HA TYR A 12 20.833 4.538 -26.115 1.00 0.00 H new ATOM 0 HB2 TYR A 12 22.380 5.289 -27.815 1.00 0.00 H new ATOM 0 HB3 TYR A 12 22.203 3.813 -28.743 1.00 0.00 H new ATOM 0 HD1 TYR A 12 20.515 6.966 -27.743 1.00 0.00 H new ATOM 0 HD2 TYR A 12 20.319 3.467 -30.225 1.00 0.00 H new ATOM 0 HE1 TYR A 12 18.657 7.986 -29.034 1.00 0.00 H new ATOM 0 HE2 TYR A 12 18.467 4.483 -31.517 1.00 0.00 H new ATOM 0 HH TYR A 12 16.644 6.252 -31.096 1.00 0.00 H new ATOM 734 N ILE A 13 18.732 3.285 -26.704 1.00 0.00 N ATOM 735 CA ILE A 13 17.511 2.498 -27.036 1.00 0.00 C ATOM 736 C ILE A 13 16.735 3.225 -28.144 1.00 0.00 C ATOM 737 O ILE A 13 16.797 4.449 -28.252 1.00 0.00 O ATOM 738 CB ILE A 13 16.627 2.370 -25.794 1.00 0.00 C ATOM 739 CG1 ILE A 13 17.438 1.752 -24.646 1.00 0.00 C ATOM 740 CG2 ILE A 13 15.427 1.475 -26.112 1.00 0.00 C ATOM 741 CD1 ILE A 13 17.099 2.467 -23.336 1.00 0.00 C ATOM 0 H ILE A 13 18.583 4.073 -26.074 1.00 0.00 H new ATOM 0 HA ILE A 13 17.797 1.503 -27.376 1.00 0.00 H new ATOM 0 HB ILE A 13 16.275 3.358 -25.497 1.00 0.00 H new ATOM 0 HG12 ILE A 13 17.214 0.689 -24.560 1.00 0.00 H new ATOM 0 HG13 ILE A 13 18.505 1.838 -24.853 1.00 0.00 H new ATOM 0 HG21 ILE A 13 14.797 1.383 -25.227 1.00 0.00 H new ATOM 0 HG22 ILE A 13 14.850 1.916 -26.925 1.00 0.00 H new ATOM 0 HG23 ILE A 13 15.779 0.487 -26.411 1.00 0.00 H new ATOM 0 HD11 ILE A 13 17.675 2.027 -22.522 1.00 0.00 H new ATOM 0 HD12 ILE A 13 17.345 3.525 -23.425 1.00 0.00 H new ATOM 0 HD13 ILE A 13 16.035 2.358 -23.127 1.00 0.00 H new ATOM 742 N ASN A 14 16.009 2.509 -28.975 1.00 0.00 N ATOM 743 CA ASN A 14 15.246 3.185 -30.065 1.00 0.00 C ATOM 744 C ASN A 14 13.890 2.492 -30.251 1.00 0.00 C ATOM 745 O ASN A 14 13.600 1.490 -29.597 1.00 0.00 O ATOM 746 CB ASN A 14 16.048 3.102 -31.366 1.00 0.00 C ATOM 747 CG ASN A 14 15.805 4.365 -32.203 1.00 0.00 C ATOM 748 OD1 ASN A 14 15.518 5.427 -31.656 1.00 0.00 O ATOM 749 ND2 ASN A 14 15.903 4.312 -33.509 1.00 0.00 N ATOM 0 H ASN A 14 15.915 1.494 -28.942 1.00 0.00 H new ATOM 0 HA ASN A 14 15.081 4.230 -29.803 1.00 0.00 H new ATOM 0 HB2 ASN A 14 17.110 3.000 -31.144 1.00 0.00 H new ATOM 0 HB3 ASN A 14 15.754 2.217 -31.931 1.00 0.00 H new ATOM 0 HD21 ASN A 14 15.741 5.150 -34.067 1.00 0.00 H new ATOM 0 HD22 ASN A 14 16.141 3.432 -33.967 1.00 0.00 H new ATOM 750 N ASN A 15 13.044 3.001 -31.123 1.00 0.00 N ATOM 751 CA ASN A 15 11.713 2.362 -31.330 1.00 0.00 C ATOM 752 C ASN A 15 10.945 2.356 -30.000 1.00 0.00 C ATOM 753 O ASN A 15 10.314 1.362 -29.642 1.00 0.00 O ATOM 754 CB ASN A 15 11.905 0.923 -31.817 1.00 0.00 C ATOM 755 CG ASN A 15 10.868 0.606 -32.902 1.00 0.00 C ATOM 756 OD1 ASN A 15 11.223 0.146 -33.985 1.00 0.00 O ATOM 757 ND2 ASN A 15 9.595 0.825 -32.675 1.00 0.00 N ATOM 0 H ASN A 15 13.223 3.827 -31.694 1.00 0.00 H new ATOM 0 HA ASN A 15 11.150 2.922 -32.077 1.00 0.00 H new ATOM 0 HB2 ASN A 15 12.912 0.793 -32.213 1.00 0.00 H new ATOM 0 HB3 ASN A 15 11.798 0.229 -30.984 1.00 0.00 H new ATOM 0 HD21 ASN A 15 8.905 0.614 -33.396 1.00 0.00 H new ATOM 0 HD22 ASN A 15 9.295 1.207 -31.778 1.00 0.00 H new ATOM 758 N LEU A 16 10.983 3.442 -29.258 1.00 0.00 N ATOM 759 CA LEU A 16 10.251 3.477 -27.955 1.00 0.00 C ATOM 760 C LEU A 16 8.841 4.048 -28.172 1.00 0.00 C ATOM 761 O LEU A 16 8.476 4.417 -29.287 1.00 0.00 O ATOM 762 CB LEU A 16 11.010 4.358 -26.957 1.00 0.00 C ATOM 763 CG LEU A 16 12.258 3.618 -26.470 1.00 0.00 C ATOM 764 CD1 LEU A 16 13.134 4.574 -25.659 1.00 0.00 C ATOM 765 CD2 LEU A 16 11.839 2.439 -25.590 1.00 0.00 C ATOM 0 H LEU A 16 11.486 4.296 -29.499 1.00 0.00 H new ATOM 0 HA LEU A 16 10.177 2.464 -27.558 1.00 0.00 H new ATOM 0 HB2 LEU A 16 11.293 5.299 -27.428 1.00 0.00 H new ATOM 0 HB3 LEU A 16 10.368 4.605 -26.112 1.00 0.00 H new ATOM 0 HG LEU A 16 12.821 3.250 -27.328 1.00 0.00 H new ATOM 0 HD11 LEU A 16 14.023 4.047 -25.312 1.00 0.00 H new ATOM 0 HD12 LEU A 16 13.432 5.415 -26.286 1.00 0.00 H new ATOM 0 HD13 LEU A 16 12.572 4.942 -24.801 1.00 0.00 H new ATOM 0 HD21 LEU A 16 12.727 1.911 -25.242 1.00 0.00 H new ATOM 0 HD22 LEU A 16 11.277 2.807 -24.732 1.00 0.00 H new ATOM 0 HD23 LEU A 16 11.215 1.758 -26.168 1.00 0.00 H new ATOM 766 N ASN A 17 8.038 4.135 -27.131 1.00 0.00 N ATOM 767 CA ASN A 17 6.658 4.690 -27.303 1.00 0.00 C ATOM 768 C ASN A 17 6.748 6.208 -27.502 1.00 0.00 C ATOM 769 O ASN A 17 7.668 6.855 -27.004 1.00 0.00 O ATOM 770 CB ASN A 17 5.802 4.389 -26.065 1.00 0.00 C ATOM 771 CG ASN A 17 4.331 4.257 -26.477 1.00 0.00 C ATOM 772 OD1 ASN A 17 4.032 4.028 -27.647 1.00 0.00 O ATOM 773 ND2 ASN A 17 3.385 4.388 -25.579 1.00 0.00 N ATOM 0 H ASN A 17 8.278 3.848 -26.182 1.00 0.00 H new ATOM 0 HA ASN A 17 6.194 4.225 -28.173 1.00 0.00 H new ATOM 0 HB2 ASN A 17 6.141 3.468 -25.591 1.00 0.00 H new ATOM 0 HB3 ASN A 17 5.914 5.186 -25.330 1.00 0.00 H new ATOM 0 HD21 ASN A 17 2.406 4.300 -25.853 1.00 0.00 H new ATOM 0 HD22 ASN A 17 3.628 4.578 -24.607 1.00 0.00 H new ATOM 774 N GLU A 18 5.819 6.793 -28.223 1.00 0.00 N ATOM 775 CA GLU A 18 5.871 8.265 -28.448 1.00 0.00 C ATOM 776 C GLU A 18 4.863 8.974 -27.529 1.00 0.00 C ATOM 777 O GLU A 18 4.229 9.949 -27.930 1.00 0.00 O ATOM 778 CB GLU A 18 5.526 8.562 -29.907 1.00 0.00 C ATOM 779 CG GLU A 18 6.787 8.439 -30.764 1.00 0.00 C ATOM 780 CD GLU A 18 6.391 8.213 -32.225 1.00 0.00 C ATOM 781 OE1 GLU A 18 5.585 8.980 -32.725 1.00 0.00 O ATOM 782 OE2 GLU A 18 6.901 7.278 -32.819 1.00 0.00 O ATOM 0 H GLU A 18 5.033 6.313 -28.661 1.00 0.00 H new ATOM 0 HA GLU A 18 6.874 8.629 -28.223 1.00 0.00 H new ATOM 0 HB2 GLU A 18 4.764 7.867 -30.260 1.00 0.00 H new ATOM 0 HB3 GLU A 18 5.109 9.565 -29.996 1.00 0.00 H new ATOM 0 HG2 GLU A 18 7.390 9.343 -30.675 1.00 0.00 H new ATOM 0 HG3 GLU A 18 7.401 7.611 -30.410 1.00 0.00 H new ATOM 783 N LYS A 19 4.700 8.518 -26.304 1.00 0.00 N ATOM 784 CA LYS A 19 3.733 9.190 -25.385 1.00 0.00 C ATOM 785 C LYS A 19 4.181 9.015 -23.922 1.00 0.00 C ATOM 786 O LYS A 19 3.351 8.870 -23.026 1.00 0.00 O ATOM 787 CB LYS A 19 2.345 8.570 -25.566 1.00 0.00 C ATOM 788 CG LYS A 19 1.947 8.637 -27.041 1.00 0.00 C ATOM 789 CD LYS A 19 0.478 8.240 -27.194 1.00 0.00 C ATOM 790 CE LYS A 19 -0.412 9.440 -26.864 1.00 0.00 C ATOM 791 NZ LYS A 19 -0.461 10.359 -28.036 1.00 0.00 N ATOM 0 H LYS A 19 5.192 7.717 -25.909 1.00 0.00 H new ATOM 0 HA LYS A 19 3.698 10.253 -25.623 1.00 0.00 H new ATOM 0 HB2 LYS A 19 2.350 7.534 -25.226 1.00 0.00 H new ATOM 0 HB3 LYS A 19 1.615 9.102 -24.956 1.00 0.00 H new ATOM 0 HG2 LYS A 19 2.104 9.645 -27.425 1.00 0.00 H new ATOM 0 HG3 LYS A 19 2.578 7.970 -27.629 1.00 0.00 H new ATOM 0 HD2 LYS A 19 0.286 7.900 -28.212 1.00 0.00 H new ATOM 0 HD3 LYS A 19 0.244 7.407 -26.531 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -1.417 9.102 -26.611 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -0.023 9.966 -25.992 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -0.494 11.344 -27.704 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 0.387 10.220 -28.622 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -1.310 10.156 -28.601 1.00 0.00 H new ATOM 792 N ILE A 20 5.471 9.024 -23.654 1.00 0.00 N ATOM 793 CA ILE A 20 5.940 8.856 -22.249 1.00 0.00 C ATOM 794 C ILE A 20 6.328 10.217 -21.667 1.00 0.00 C ATOM 795 O ILE A 20 6.757 11.114 -22.392 1.00 0.00 O ATOM 796 CB ILE A 20 7.174 7.937 -22.196 1.00 0.00 C ATOM 797 CG1 ILE A 20 7.018 6.757 -23.172 1.00 0.00 C ATOM 798 CG2 ILE A 20 7.349 7.404 -20.765 1.00 0.00 C ATOM 799 CD1 ILE A 20 5.746 5.974 -22.845 1.00 0.00 C ATOM 0 H ILE A 20 6.209 9.140 -24.348 1.00 0.00 H new ATOM 0 HA ILE A 20 5.129 8.412 -21.671 1.00 0.00 H new ATOM 0 HB ILE A 20 8.053 8.512 -22.488 1.00 0.00 H new ATOM 0 HG12 ILE A 20 6.975 7.125 -24.197 1.00 0.00 H new ATOM 0 HG13 ILE A 20 7.886 6.101 -23.105 1.00 0.00 H new ATOM 0 HG21 ILE A 20 8.222 6.753 -20.724 1.00 0.00 H new ATOM 0 HG22 ILE A 20 7.487 8.240 -20.080 1.00 0.00 H new ATOM 0 HG23 ILE A 20 6.462 6.841 -20.476 1.00 0.00 H new ATOM 0 HD11 ILE A 20 5.643 5.141 -23.540 1.00 0.00 H new ATOM 0 HD12 ILE A 20 5.806 5.591 -21.826 1.00 0.00 H new ATOM 0 HD13 ILE A 20 4.881 6.631 -22.935 1.00 0.00 H new ATOM 800 N LYS A 21 6.211 10.387 -20.369 1.00 0.00 N ATOM 801 CA LYS A 21 6.603 11.690 -19.760 1.00 0.00 C ATOM 802 C LYS A 21 8.129 11.715 -19.612 1.00 0.00 C ATOM 803 O LYS A 21 8.805 10.754 -19.978 1.00 0.00 O ATOM 804 CB LYS A 21 5.948 11.853 -18.381 1.00 0.00 C ATOM 805 CG LYS A 21 4.647 12.644 -18.524 1.00 0.00 C ATOM 806 CD LYS A 21 3.637 12.157 -17.484 1.00 0.00 C ATOM 807 CE LYS A 21 2.378 13.025 -17.548 1.00 0.00 C ATOM 808 NZ LYS A 21 1.186 12.197 -17.214 1.00 0.00 N ATOM 0 H LYS A 21 5.864 9.685 -19.715 1.00 0.00 H new ATOM 0 HA LYS A 21 6.270 12.508 -20.398 1.00 0.00 H new ATOM 0 HB2 LYS A 21 5.745 10.875 -17.945 1.00 0.00 H new ATOM 0 HB3 LYS A 21 6.627 12.369 -17.703 1.00 0.00 H new ATOM 0 HG2 LYS A 21 4.839 13.708 -18.389 1.00 0.00 H new ATOM 0 HG3 LYS A 21 4.241 12.518 -19.528 1.00 0.00 H new ATOM 0 HD2 LYS A 21 3.382 11.114 -17.670 1.00 0.00 H new ATOM 0 HD3 LYS A 21 4.074 12.205 -16.487 1.00 0.00 H new ATOM 0 HE2 LYS A 21 2.462 13.858 -16.850 1.00 0.00 H new ATOM 0 HE3 LYS A 21 2.269 13.453 -18.544 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 0.330 12.787 -17.257 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 1.103 11.416 -17.896 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 1.291 11.809 -16.255 1.00 0.00 H new ATOM 809 N LYS A 22 8.694 12.778 -19.084 1.00 0.00 N ATOM 810 CA LYS A 22 10.181 12.817 -18.927 1.00 0.00 C ATOM 811 C LYS A 22 10.560 12.198 -17.580 1.00 0.00 C ATOM 812 O LYS A 22 11.529 11.445 -17.486 1.00 0.00 O ATOM 813 CB LYS A 22 10.677 14.263 -18.991 1.00 0.00 C ATOM 814 CG LYS A 22 12.193 14.279 -19.192 1.00 0.00 C ATOM 815 CD LYS A 22 12.693 15.723 -19.171 1.00 0.00 C ATOM 816 CE LYS A 22 13.886 15.867 -20.117 1.00 0.00 C ATOM 817 NZ LYS A 22 14.288 17.300 -20.198 1.00 0.00 N ATOM 0 H LYS A 22 8.196 13.607 -18.760 1.00 0.00 H new ATOM 0 HA LYS A 22 10.646 12.251 -19.734 1.00 0.00 H new ATOM 0 HB2 LYS A 22 10.186 14.790 -19.809 1.00 0.00 H new ATOM 0 HB3 LYS A 22 10.417 14.788 -18.072 1.00 0.00 H new ATOM 0 HG2 LYS A 22 12.681 13.702 -18.406 1.00 0.00 H new ATOM 0 HG3 LYS A 22 12.450 13.807 -20.140 1.00 0.00 H new ATOM 0 HD2 LYS A 22 11.893 16.400 -19.472 1.00 0.00 H new ATOM 0 HD3 LYS A 22 12.983 16.003 -18.158 1.00 0.00 H new ATOM 0 HE2 LYS A 22 14.721 15.264 -19.760 1.00 0.00 H new ATOM 0 HE3 LYS A 22 13.625 15.495 -21.108 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 15.099 17.397 -20.841 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 13.492 17.864 -20.557 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 14.554 17.640 -19.252 1.00 0.00 H new ATOM 818 N ASP A 23 9.808 12.468 -16.539 1.00 0.00 N ATOM 819 CA ASP A 23 10.126 11.850 -15.220 1.00 0.00 C ATOM 820 C ASP A 23 9.691 10.375 -15.252 1.00 0.00 C ATOM 821 O ASP A 23 10.253 9.542 -14.543 1.00 0.00 O ATOM 822 CB ASP A 23 9.383 12.579 -14.092 1.00 0.00 C ATOM 823 CG ASP A 23 10.257 13.712 -13.553 1.00 0.00 C ATOM 824 OD1 ASP A 23 10.611 14.583 -14.331 1.00 0.00 O ATOM 825 OD2 ASP A 23 10.558 13.690 -12.371 1.00 0.00 O ATOM 0 H ASP A 23 8.995 13.085 -16.548 1.00 0.00 H new ATOM 0 HA ASP A 23 11.197 11.926 -15.034 1.00 0.00 H new ATOM 0 HB2 ASP A 23 8.439 12.979 -14.463 1.00 0.00 H new ATOM 0 HB3 ASP A 23 9.140 11.880 -13.291 1.00 0.00 H new ATOM 826 N GLU A 24 8.700 10.025 -16.058 1.00 0.00 N ATOM 827 CA GLU A 24 8.258 8.601 -16.108 1.00 0.00 C ATOM 828 C GLU A 24 9.285 7.759 -16.873 1.00 0.00 C ATOM 829 O GLU A 24 9.680 6.694 -16.407 1.00 0.00 O ATOM 830 CB GLU A 24 6.892 8.486 -16.799 1.00 0.00 C ATOM 831 CG GLU A 24 6.160 7.249 -16.278 1.00 0.00 C ATOM 832 CD GLU A 24 5.371 7.614 -15.019 1.00 0.00 C ATOM 833 OE1 GLU A 24 5.982 7.704 -13.967 1.00 0.00 O ATOM 834 OE2 GLU A 24 4.171 7.797 -15.128 1.00 0.00 O ATOM 0 H GLU A 24 8.192 10.662 -16.671 1.00 0.00 H new ATOM 0 HA GLU A 24 8.173 8.232 -15.086 1.00 0.00 H new ATOM 0 HB2 GLU A 24 6.299 9.380 -16.607 1.00 0.00 H new ATOM 0 HB3 GLU A 24 7.023 8.416 -17.879 1.00 0.00 H new ATOM 0 HG2 GLU A 24 5.486 6.863 -17.043 1.00 0.00 H new ATOM 0 HG3 GLU A 24 6.875 6.457 -16.055 1.00 0.00 H new ATOM 835 N LEU A 25 9.724 8.194 -18.036 1.00 0.00 N ATOM 836 CA LEU A 25 10.716 7.367 -18.798 1.00 0.00 C ATOM 837 C LEU A 25 12.041 7.259 -18.025 1.00 0.00 C ATOM 838 O LEU A 25 12.713 6.231 -18.088 1.00 0.00 O ATOM 839 CB LEU A 25 10.981 7.981 -20.178 1.00 0.00 C ATOM 840 CG LEU A 25 11.367 6.874 -21.162 1.00 0.00 C ATOM 841 CD1 LEU A 25 10.175 5.932 -21.380 1.00 0.00 C ATOM 842 CD2 LEU A 25 11.775 7.505 -22.496 1.00 0.00 C ATOM 0 H LEU A 25 9.444 9.068 -18.481 1.00 0.00 H new ATOM 0 HA LEU A 25 10.294 6.370 -18.923 1.00 0.00 H new ATOM 0 HB2 LEU A 25 10.093 8.504 -20.532 1.00 0.00 H new ATOM 0 HB3 LEU A 25 11.780 8.719 -20.112 1.00 0.00 H new ATOM 0 HG LEU A 25 12.202 6.303 -20.756 1.00 0.00 H new ATOM 0 HD11 LEU A 25 10.456 5.146 -22.081 1.00 0.00 H new ATOM 0 HD12 LEU A 25 9.887 5.484 -20.429 1.00 0.00 H new ATOM 0 HD13 LEU A 25 9.335 6.496 -21.785 1.00 0.00 H new ATOM 0 HD21 LEU A 25 12.051 6.720 -23.200 1.00 0.00 H new ATOM 0 HD22 LEU A 25 10.939 8.077 -22.899 1.00 0.00 H new ATOM 0 HD23 LEU A 25 12.626 8.168 -22.340 1.00 0.00 H new ATOM 843 N LYS A 26 12.440 8.282 -17.302 1.00 0.00 N ATOM 844 CA LYS A 26 13.731 8.190 -16.542 1.00 0.00 C ATOM 845 C LYS A 26 13.573 7.263 -15.324 1.00 0.00 C ATOM 846 O LYS A 26 14.539 6.638 -14.893 1.00 0.00 O ATOM 847 CB LYS A 26 14.171 9.581 -16.067 1.00 0.00 C ATOM 848 CG LYS A 26 15.635 9.531 -15.626 1.00 0.00 C ATOM 849 CD LYS A 26 16.010 10.849 -14.947 1.00 0.00 C ATOM 850 CE LYS A 26 17.400 10.723 -14.317 1.00 0.00 C ATOM 851 NZ LYS A 26 17.499 11.639 -13.145 1.00 0.00 N ATOM 0 H LYS A 26 11.936 9.164 -17.206 1.00 0.00 H new ATOM 0 HA LYS A 26 14.489 7.780 -17.209 1.00 0.00 H new ATOM 0 HB2 LYS A 26 14.047 10.307 -16.870 1.00 0.00 H new ATOM 0 HB3 LYS A 26 13.542 9.910 -15.240 1.00 0.00 H new ATOM 0 HG2 LYS A 26 15.790 8.699 -14.939 1.00 0.00 H new ATOM 0 HG3 LYS A 26 16.279 9.358 -16.488 1.00 0.00 H new ATOM 0 HD2 LYS A 26 16.001 11.660 -15.675 1.00 0.00 H new ATOM 0 HD3 LYS A 26 15.274 11.099 -14.183 1.00 0.00 H new ATOM 0 HE2 LYS A 26 17.577 9.694 -14.004 1.00 0.00 H new ATOM 0 HE3 LYS A 26 18.167 10.970 -15.051 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 18.443 11.554 -12.717 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 17.347 12.619 -13.457 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 16.776 11.384 -12.443 1.00 0.00 H new ATOM 852 N LYS A 27 12.391 7.154 -14.749 1.00 0.00 N ATOM 853 CA LYS A 27 12.225 6.254 -13.562 1.00 0.00 C ATOM 854 C LYS A 27 12.223 4.776 -14.006 1.00 0.00 C ATOM 855 O LYS A 27 12.651 3.901 -13.255 1.00 0.00 O ATOM 856 CB LYS A 27 10.903 6.567 -12.843 1.00 0.00 C ATOM 857 CG LYS A 27 11.131 6.591 -11.329 1.00 0.00 C ATOM 858 CD LYS A 27 11.027 5.170 -10.773 1.00 0.00 C ATOM 859 CE LYS A 27 11.878 5.053 -9.507 1.00 0.00 C ATOM 860 NZ LYS A 27 12.383 3.658 -9.376 1.00 0.00 N ATOM 0 H LYS A 27 11.548 7.643 -15.048 1.00 0.00 H new ATOM 0 HA LYS A 27 13.059 6.425 -12.882 1.00 0.00 H new ATOM 0 HB2 LYS A 27 10.515 7.529 -13.177 1.00 0.00 H new ATOM 0 HB3 LYS A 27 10.154 5.816 -13.096 1.00 0.00 H new ATOM 0 HG2 LYS A 27 12.112 7.009 -11.105 1.00 0.00 H new ATOM 0 HG3 LYS A 27 10.393 7.235 -10.850 1.00 0.00 H new ATOM 0 HD2 LYS A 27 9.987 4.931 -10.548 1.00 0.00 H new ATOM 0 HD3 LYS A 27 11.365 4.451 -11.519 1.00 0.00 H new ATOM 0 HE2 LYS A 27 12.714 5.751 -9.552 1.00 0.00 H new ATOM 0 HE3 LYS A 27 11.286 5.321 -8.632 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 12.962 3.578 -8.516 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 11.578 3.002 -9.315 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 12.962 3.419 -10.206 1.00 0.00 H new ATOM 861 N SER A 28 11.748 4.468 -15.199 1.00 0.00 N ATOM 862 CA SER A 28 11.729 3.035 -15.641 1.00 0.00 C ATOM 863 C SER A 28 13.137 2.595 -16.074 1.00 0.00 C ATOM 864 O SER A 28 13.549 1.467 -15.802 1.00 0.00 O ATOM 865 CB SER A 28 10.763 2.856 -16.817 1.00 0.00 C ATOM 866 OG SER A 28 9.467 2.553 -16.316 1.00 0.00 O ATOM 0 H SER A 28 11.379 5.139 -15.873 1.00 0.00 H new ATOM 0 HA SER A 28 11.398 2.421 -14.803 1.00 0.00 H new ATOM 0 HB2 SER A 28 10.730 3.765 -17.418 1.00 0.00 H new ATOM 0 HB3 SER A 28 11.110 2.055 -17.470 1.00 0.00 H new ATOM 0 HG SER A 28 8.809 3.151 -16.728 1.00 0.00 H new ATOM 867 N LEU A 29 13.887 3.448 -16.741 1.00 0.00 N ATOM 868 CA LEU A 29 15.264 3.038 -17.178 1.00 0.00 C ATOM 869 C LEU A 29 16.167 2.860 -15.949 1.00 0.00 C ATOM 870 O LEU A 29 16.968 1.929 -15.884 1.00 0.00 O ATOM 871 CB LEU A 29 15.870 4.103 -18.102 1.00 0.00 C ATOM 872 CG LEU A 29 15.014 4.229 -19.364 1.00 0.00 C ATOM 873 CD1 LEU A 29 15.233 5.608 -19.993 1.00 0.00 C ATOM 874 CD2 LEU A 29 15.418 3.144 -20.364 1.00 0.00 C ATOM 0 H LEU A 29 13.610 4.395 -16.998 1.00 0.00 H new ATOM 0 HA LEU A 29 15.191 2.095 -17.720 1.00 0.00 H new ATOM 0 HB2 LEU A 29 15.920 5.062 -17.586 1.00 0.00 H new ATOM 0 HB3 LEU A 29 16.891 3.831 -18.368 1.00 0.00 H new ATOM 0 HG LEU A 29 13.962 4.110 -19.103 1.00 0.00 H new ATOM 0 HD11 LEU A 29 14.624 5.699 -20.892 1.00 0.00 H new ATOM 0 HD12 LEU A 29 14.947 6.382 -19.281 1.00 0.00 H new ATOM 0 HD13 LEU A 29 16.285 5.726 -20.254 1.00 0.00 H new ATOM 0 HD21 LEU A 29 14.809 3.233 -21.263 1.00 0.00 H new ATOM 0 HD22 LEU A 29 16.470 3.263 -20.625 1.00 0.00 H new ATOM 0 HD23 LEU A 29 15.264 2.162 -19.917 1.00 0.00 H new ATOM 875 N HIS A 30 16.058 3.730 -14.971 1.00 0.00 N ATOM 876 CA HIS A 30 16.921 3.594 -13.752 1.00 0.00 C ATOM 877 C HIS A 30 16.635 2.263 -13.034 1.00 0.00 C ATOM 878 O HIS A 30 17.519 1.707 -12.384 1.00 0.00 O ATOM 879 CB HIS A 30 16.657 4.753 -12.780 1.00 0.00 C ATOM 880 CG HIS A 30 17.918 5.076 -12.027 1.00 0.00 C ATOM 881 ND1 HIS A 30 17.961 5.123 -10.642 1.00 0.00 N ATOM 882 CD2 HIS A 30 19.191 5.367 -12.452 1.00 0.00 C ATOM 883 CE1 HIS A 30 19.221 5.433 -10.286 1.00 0.00 C ATOM 884 NE2 HIS A 30 20.012 5.593 -11.351 1.00 0.00 N ATOM 0 H HIS A 30 15.415 4.522 -14.963 1.00 0.00 H new ATOM 0 HA HIS A 30 17.963 3.616 -14.072 1.00 0.00 H new ATOM 0 HB2 HIS A 30 16.314 5.630 -13.329 1.00 0.00 H new ATOM 0 HB3 HIS A 30 15.864 4.483 -12.083 1.00 0.00 H new ATOM 0 HD2 HIS A 30 19.507 5.413 -13.484 1.00 0.00 H new ATOM 0 HE1 HIS A 30 19.553 5.540 -9.264 1.00 0.00 H new ATOM 0 HE2 HIS A 30 21.004 5.830 -11.356 1.00 0.00 H new ATOM 885 N ALA A 31 15.431 1.736 -13.119 1.00 0.00 N ATOM 886 CA ALA A 31 15.135 0.445 -12.418 1.00 0.00 C ATOM 887 C ALA A 31 15.638 -0.739 -13.261 1.00 0.00 C ATOM 888 O ALA A 31 16.589 -1.417 -12.881 1.00 0.00 O ATOM 889 CB ALA A 31 13.624 0.303 -12.191 1.00 0.00 C ATOM 0 H ALA A 31 14.651 2.140 -13.637 1.00 0.00 H new ATOM 0 HA ALA A 31 15.646 0.446 -11.455 1.00 0.00 H new ATOM 0 HB1 ALA A 31 13.420 -0.638 -11.681 1.00 0.00 H new ATOM 0 HB2 ALA A 31 13.269 1.132 -11.579 1.00 0.00 H new ATOM 0 HB3 ALA A 31 13.109 0.314 -13.152 1.00 0.00 H new ATOM 890 N ILE A 32 15.005 -1.021 -14.383 1.00 0.00 N ATOM 891 CA ILE A 32 15.430 -2.174 -15.226 1.00 0.00 C ATOM 892 C ILE A 32 16.963 -2.220 -15.411 1.00 0.00 C ATOM 893 O ILE A 32 17.602 -3.216 -15.075 1.00 0.00 O ATOM 894 CB ILE A 32 14.753 -2.124 -16.609 1.00 0.00 C ATOM 895 CG1 ILE A 32 14.550 -0.682 -17.143 1.00 0.00 C ATOM 896 CG2 ILE A 32 13.400 -2.832 -16.540 1.00 0.00 C ATOM 897 CD1 ILE A 32 15.100 -0.573 -18.568 1.00 0.00 C ATOM 0 H ILE A 32 14.210 -0.495 -14.745 1.00 0.00 H new ATOM 0 HA ILE A 32 15.119 -3.077 -14.701 1.00 0.00 H new ATOM 0 HB ILE A 32 15.423 -2.629 -17.305 1.00 0.00 H new ATOM 0 HG12 ILE A 32 13.490 -0.426 -17.132 1.00 0.00 H new ATOM 0 HG13 ILE A 32 15.057 0.031 -16.493 1.00 0.00 H new ATOM 0 HG21 ILE A 32 12.921 -2.797 -17.518 1.00 0.00 H new ATOM 0 HG22 ILE A 32 13.548 -3.871 -16.245 1.00 0.00 H new ATOM 0 HG23 ILE A 32 12.766 -2.334 -15.807 1.00 0.00 H new ATOM 0 HD11 ILE A 32 14.954 0.442 -18.938 1.00 0.00 H new ATOM 0 HD12 ILE A 32 16.164 -0.810 -18.566 1.00 0.00 H new ATOM 0 HD13 ILE A 32 14.574 -1.274 -19.216 1.00 0.00 H new ATOM 898 N PHE A 33 17.563 -1.188 -15.950 1.00 0.00 N ATOM 899 CA PHE A 33 19.049 -1.209 -16.164 1.00 0.00 C ATOM 900 C PHE A 33 19.794 -1.328 -14.820 1.00 0.00 C ATOM 901 O PHE A 33 20.850 -1.952 -14.750 1.00 0.00 O ATOM 902 CB PHE A 33 19.494 0.073 -16.882 1.00 0.00 C ATOM 903 CG PHE A 33 19.148 -0.035 -18.347 1.00 0.00 C ATOM 904 CD1 PHE A 33 19.883 -0.886 -19.179 1.00 0.00 C ATOM 905 CD2 PHE A 33 18.087 0.713 -18.872 1.00 0.00 C ATOM 906 CE1 PHE A 33 19.557 -0.990 -20.537 1.00 0.00 C ATOM 907 CE2 PHE A 33 17.761 0.609 -20.229 1.00 0.00 C ATOM 908 CZ PHE A 33 18.497 -0.242 -21.062 1.00 0.00 C ATOM 0 H PHE A 33 17.093 -0.334 -16.251 1.00 0.00 H new ATOM 0 HA PHE A 33 19.292 -2.076 -16.778 1.00 0.00 H new ATOM 0 HB2 PHE A 33 19.001 0.940 -16.442 1.00 0.00 H new ATOM 0 HB3 PHE A 33 20.567 0.220 -16.759 1.00 0.00 H new ATOM 0 HD1 PHE A 33 20.702 -1.463 -18.774 1.00 0.00 H new ATOM 0 HD2 PHE A 33 17.520 1.370 -18.229 1.00 0.00 H new ATOM 0 HE1 PHE A 33 20.124 -1.648 -21.179 1.00 0.00 H new ATOM 0 HE2 PHE A 33 16.942 1.185 -20.633 1.00 0.00 H new ATOM 0 HZ PHE A 33 18.247 -0.321 -22.110 1.00 0.00 H new ATOM 909 N SER A 34 19.287 -0.741 -13.757 1.00 0.00 N ATOM 910 CA SER A 34 20.006 -0.841 -12.440 1.00 0.00 C ATOM 911 C SER A 34 20.202 -2.317 -12.047 1.00 0.00 C ATOM 912 O SER A 34 21.200 -2.666 -11.419 1.00 0.00 O ATOM 913 CB SER A 34 19.207 -0.135 -11.338 1.00 0.00 C ATOM 914 OG SER A 34 19.553 -0.694 -10.076 1.00 0.00 O ATOM 0 H SER A 34 18.420 -0.205 -13.742 1.00 0.00 H new ATOM 0 HA SER A 34 20.978 -0.360 -12.549 1.00 0.00 H new ATOM 0 HB2 SER A 34 19.420 0.934 -11.346 1.00 0.00 H new ATOM 0 HB3 SER A 34 18.138 -0.248 -11.518 1.00 0.00 H new ATOM 0 HG SER A 34 19.045 -0.244 -9.369 1.00 0.00 H new ATOM 915 N ARG A 35 19.273 -3.195 -12.382 1.00 0.00 N ATOM 916 CA ARG A 35 19.421 -4.644 -12.000 1.00 0.00 C ATOM 917 C ARG A 35 20.836 -5.153 -12.325 1.00 0.00 C ATOM 918 O ARG A 35 21.442 -5.868 -11.528 1.00 0.00 O ATOM 919 CB ARG A 35 18.401 -5.505 -12.768 1.00 0.00 C ATOM 920 CG ARG A 35 16.970 -5.168 -12.322 1.00 0.00 C ATOM 921 CD ARG A 35 16.833 -5.379 -10.813 1.00 0.00 C ATOM 922 NE ARG A 35 15.407 -5.642 -10.472 1.00 0.00 N ATOM 923 CZ ARG A 35 14.655 -4.674 -10.025 1.00 0.00 C ATOM 924 NH1 ARG A 35 14.703 -4.339 -8.765 1.00 0.00 N ATOM 925 NH2 ARG A 35 13.854 -4.041 -10.838 1.00 0.00 N ATOM 0 H ARG A 35 18.424 -2.970 -12.901 1.00 0.00 H new ATOM 0 HA ARG A 35 19.244 -4.725 -10.927 1.00 0.00 H new ATOM 0 HB2 ARG A 35 18.504 -5.333 -13.839 1.00 0.00 H new ATOM 0 HB3 ARG A 35 18.603 -6.562 -12.594 1.00 0.00 H new ATOM 0 HG2 ARG A 35 16.734 -4.135 -12.577 1.00 0.00 H new ATOM 0 HG3 ARG A 35 16.256 -5.798 -12.853 1.00 0.00 H new ATOM 0 HD2 ARG A 35 17.454 -6.217 -10.495 1.00 0.00 H new ATOM 0 HD3 ARG A 35 17.189 -4.498 -10.279 1.00 0.00 H new ATOM 0 HE ARG A 35 15.019 -6.578 -10.588 1.00 0.00 H new ATOM 0 HH11 ARG A 35 15.329 -4.834 -8.129 1.00 0.00 H new ATOM 0 HH12 ARG A 35 14.115 -3.582 -8.416 1.00 0.00 H new ATOM 0 HH21 ARG A 35 13.816 -4.303 -11.823 1.00 0.00 H new ATOM 0 HH22 ARG A 35 13.266 -3.284 -10.488 1.00 0.00 H new ATOM 926 N PHE A 36 21.375 -4.813 -13.475 1.00 0.00 N ATOM 927 CA PHE A 36 22.741 -5.298 -13.825 1.00 0.00 C ATOM 928 C PHE A 36 23.772 -4.193 -13.545 1.00 0.00 C ATOM 929 O PHE A 36 24.282 -3.560 -14.468 1.00 0.00 O ATOM 930 CB PHE A 36 22.787 -5.674 -15.313 1.00 0.00 C ATOM 931 CG PHE A 36 21.563 -6.488 -15.705 1.00 0.00 C ATOM 932 CD1 PHE A 36 21.001 -7.419 -14.813 1.00 0.00 C ATOM 933 CD2 PHE A 36 20.994 -6.309 -16.972 1.00 0.00 C ATOM 934 CE1 PHE A 36 19.877 -8.162 -15.193 1.00 0.00 C ATOM 935 CE2 PHE A 36 19.869 -7.053 -17.349 1.00 0.00 C ATOM 936 CZ PHE A 36 19.311 -7.979 -16.459 1.00 0.00 C ATOM 0 H PHE A 36 20.928 -4.225 -14.178 1.00 0.00 H new ATOM 0 HA PHE A 36 22.977 -6.174 -13.220 1.00 0.00 H new ATOM 0 HB2 PHE A 36 22.837 -4.770 -15.919 1.00 0.00 H new ATOM 0 HB3 PHE A 36 23.691 -6.247 -15.520 1.00 0.00 H new ATOM 0 HD1 PHE A 36 21.437 -7.561 -13.835 1.00 0.00 H new ATOM 0 HD2 PHE A 36 21.424 -5.596 -17.660 1.00 0.00 H new ATOM 0 HE1 PHE A 36 19.446 -8.877 -14.508 1.00 0.00 H new ATOM 0 HE2 PHE A 36 19.432 -6.913 -18.326 1.00 0.00 H new ATOM 0 HZ PHE A 36 18.443 -8.552 -16.750 1.00 0.00 H new ATOM 937 N GLY A 37 24.099 -3.949 -12.293 1.00 0.00 N ATOM 938 CA GLY A 37 25.101 -2.888 -11.978 1.00 0.00 C ATOM 939 C GLY A 37 24.379 -1.580 -11.627 1.00 0.00 C ATOM 940 O GLY A 37 23.213 -1.394 -11.967 1.00 0.00 O ATOM 0 H GLY A 37 23.715 -4.438 -11.485 1.00 0.00 H new ATOM 0 HA2 GLY A 37 25.728 -3.203 -11.144 1.00 0.00 H new ATOM 0 HA3 GLY A 37 25.760 -2.732 -12.832 1.00 0.00 H new ATOM 941 N GLN A 38 25.046 -0.662 -10.958 1.00 0.00 N ATOM 942 CA GLN A 38 24.378 0.628 -10.600 1.00 0.00 C ATOM 943 C GLN A 38 24.483 1.599 -11.783 1.00 0.00 C ATOM 944 O GLN A 38 25.464 1.585 -12.525 1.00 0.00 O ATOM 945 CB GLN A 38 25.054 1.248 -9.370 1.00 0.00 C ATOM 946 CG GLN A 38 24.210 2.418 -8.860 1.00 0.00 C ATOM 947 CD GLN A 38 24.724 2.859 -7.483 1.00 0.00 C ATOM 948 OE1 GLN A 38 24.111 2.552 -6.464 1.00 0.00 O ATOM 949 NE2 GLN A 38 25.825 3.566 -7.392 1.00 0.00 N ATOM 0 H GLN A 38 26.014 -0.752 -10.649 1.00 0.00 H new ATOM 0 HA GLN A 38 23.330 0.436 -10.371 1.00 0.00 H new ATOM 0 HB2 GLN A 38 25.166 0.498 -8.587 1.00 0.00 H new ATOM 0 HB3 GLN A 38 26.055 1.593 -9.627 1.00 0.00 H new ATOM 0 HG2 GLN A 38 24.261 3.250 -9.562 1.00 0.00 H new ATOM 0 HG3 GLN A 38 23.163 2.122 -8.791 1.00 0.00 H new ATOM 0 HE21 GLN A 38 26.337 3.823 -8.236 1.00 0.00 H new ATOM 0 HE22 GLN A 38 26.169 3.859 -6.477 1.00 0.00 H new ATOM 950 N ILE A 39 23.493 2.443 -11.983 1.00 0.00 N ATOM 951 CA ILE A 39 23.552 3.402 -13.125 1.00 0.00 C ATOM 952 C ILE A 39 24.058 4.762 -12.630 1.00 0.00 C ATOM 953 O ILE A 39 23.799 5.156 -11.494 1.00 0.00 O ATOM 954 CB ILE A 39 22.157 3.573 -13.729 1.00 0.00 C ATOM 955 CG1 ILE A 39 21.591 2.202 -14.105 1.00 0.00 C ATOM 956 CG2 ILE A 39 22.246 4.447 -14.981 1.00 0.00 C ATOM 957 CD1 ILE A 39 20.071 2.303 -14.248 1.00 0.00 C ATOM 0 H ILE A 39 22.654 2.505 -11.406 1.00 0.00 H new ATOM 0 HA ILE A 39 24.232 3.012 -13.883 1.00 0.00 H new ATOM 0 HB ILE A 39 21.502 4.049 -12.999 1.00 0.00 H new ATOM 0 HG12 ILE A 39 22.033 1.857 -15.040 1.00 0.00 H new ATOM 0 HG13 ILE A 39 21.848 1.468 -13.341 1.00 0.00 H new ATOM 0 HG21 ILE A 39 21.252 4.569 -15.411 1.00 0.00 H new ATOM 0 HG22 ILE A 39 22.648 5.424 -14.715 1.00 0.00 H new ATOM 0 HG23 ILE A 39 22.901 3.972 -15.711 1.00 0.00 H new ATOM 0 HD11 ILE A 39 19.665 1.327 -14.516 1.00 0.00 H new ATOM 0 HD12 ILE A 39 19.637 2.629 -13.303 1.00 0.00 H new ATOM 0 HD13 ILE A 39 19.826 3.024 -15.028 1.00 0.00 H new ATOM 958 N LEU A 40 24.774 5.494 -13.457 1.00 0.00 N ATOM 959 CA LEU A 40 25.282 6.827 -13.020 1.00 0.00 C ATOM 960 C LEU A 40 24.269 7.916 -13.402 1.00 0.00 C ATOM 961 O LEU A 40 24.032 8.849 -12.637 1.00 0.00 O ATOM 962 CB LEU A 40 26.628 7.119 -13.693 1.00 0.00 C ATOM 963 CG LEU A 40 27.768 6.736 -12.748 1.00 0.00 C ATOM 964 CD1 LEU A 40 27.928 5.215 -12.729 1.00 0.00 C ATOM 965 CD2 LEU A 40 29.069 7.379 -13.232 1.00 0.00 C ATOM 0 H LEU A 40 25.024 5.223 -14.408 1.00 0.00 H new ATOM 0 HA LEU A 40 25.417 6.820 -11.938 1.00 0.00 H new ATOM 0 HB2 LEU A 40 26.710 6.558 -14.624 1.00 0.00 H new ATOM 0 HB3 LEU A 40 26.695 8.176 -13.951 1.00 0.00 H new ATOM 0 HG LEU A 40 27.539 7.089 -11.742 1.00 0.00 H new ATOM 0 HD11 LEU A 40 28.741 4.943 -12.055 1.00 0.00 H new ATOM 0 HD12 LEU A 40 27.002 4.756 -12.384 1.00 0.00 H new ATOM 0 HD13 LEU A 40 28.156 4.861 -13.734 1.00 0.00 H new ATOM 0 HD21 LEU A 40 29.882 7.106 -12.559 1.00 0.00 H new ATOM 0 HD22 LEU A 40 29.297 7.026 -14.238 1.00 0.00 H new ATOM 0 HD23 LEU A 40 28.956 8.463 -13.245 1.00 0.00 H new ATOM 966 N ASP A 41 23.666 7.824 -14.567 1.00 0.00 N ATOM 967 CA ASP A 41 22.671 8.870 -14.972 1.00 0.00 C ATOM 968 C ASP A 41 21.968 8.459 -16.278 1.00 0.00 C ATOM 969 O ASP A 41 22.538 7.744 -17.101 1.00 0.00 O ATOM 970 CB ASP A 41 23.396 10.202 -15.183 1.00 0.00 C ATOM 971 CG ASP A 41 23.228 11.079 -13.940 1.00 0.00 C ATOM 972 OD1 ASP A 41 22.097 11.406 -13.619 1.00 0.00 O ATOM 973 OD2 ASP A 41 24.233 11.407 -13.332 1.00 0.00 O ATOM 0 H ASP A 41 23.818 7.079 -15.247 1.00 0.00 H new ATOM 0 HA ASP A 41 21.924 8.974 -14.185 1.00 0.00 H new ATOM 0 HB2 ASP A 41 24.454 10.025 -15.376 1.00 0.00 H new ATOM 0 HB3 ASP A 41 22.993 10.712 -16.058 1.00 0.00 H new ATOM 974 N ILE A 42 20.744 8.893 -16.488 1.00 0.00 N ATOM 975 CA ILE A 42 20.026 8.520 -17.740 1.00 0.00 C ATOM 976 C ILE A 42 19.590 9.795 -18.477 1.00 0.00 C ATOM 977 O ILE A 42 19.017 10.703 -17.878 1.00 0.00 O ATOM 978 CB ILE A 42 18.794 7.684 -17.391 1.00 0.00 C ATOM 979 CG1 ILE A 42 19.216 6.489 -16.533 1.00 0.00 C ATOM 980 CG2 ILE A 42 18.136 7.179 -18.676 1.00 0.00 C ATOM 981 CD1 ILE A 42 17.973 5.782 -15.991 1.00 0.00 C ATOM 0 H ILE A 42 20.218 9.486 -15.846 1.00 0.00 H new ATOM 0 HA ILE A 42 20.688 7.938 -18.381 1.00 0.00 H new ATOM 0 HB ILE A 42 18.084 8.299 -16.838 1.00 0.00 H new ATOM 0 HG12 ILE A 42 19.812 5.795 -17.126 1.00 0.00 H new ATOM 0 HG13 ILE A 42 19.845 6.825 -15.708 1.00 0.00 H new ATOM 0 HG21 ILE A 42 17.258 6.583 -18.425 1.00 0.00 H new ATOM 0 HG22 ILE A 42 17.835 8.029 -19.289 1.00 0.00 H new ATOM 0 HG23 ILE A 42 18.845 6.565 -19.231 1.00 0.00 H new ATOM 0 HD11 ILE A 42 18.276 4.931 -15.380 1.00 0.00 H new ATOM 0 HD12 ILE A 42 17.395 6.478 -15.383 1.00 0.00 H new ATOM 0 HD13 ILE A 42 17.362 5.432 -16.823 1.00 0.00 H new ATOM 982 N LEU A 43 19.848 9.889 -19.765 1.00 0.00 N ATOM 983 CA LEU A 43 19.442 11.111 -20.516 1.00 0.00 C ATOM 984 C LEU A 43 18.206 10.802 -21.375 1.00 0.00 C ATOM 985 O LEU A 43 18.212 9.868 -22.176 1.00 0.00 O ATOM 986 CB LEU A 43 20.594 11.559 -21.420 1.00 0.00 C ATOM 987 CG LEU A 43 21.547 12.456 -20.629 1.00 0.00 C ATOM 988 CD1 LEU A 43 22.489 11.588 -19.793 1.00 0.00 C ATOM 989 CD2 LEU A 43 22.369 13.308 -21.601 1.00 0.00 C ATOM 0 H LEU A 43 20.319 9.174 -20.319 1.00 0.00 H new ATOM 0 HA LEU A 43 19.201 11.907 -19.811 1.00 0.00 H new ATOM 0 HB2 LEU A 43 21.129 10.690 -21.802 1.00 0.00 H new ATOM 0 HB3 LEU A 43 20.204 12.098 -22.284 1.00 0.00 H new ATOM 0 HG LEU A 43 20.971 13.106 -19.971 1.00 0.00 H new ATOM 0 HD11 LEU A 43 23.168 12.227 -19.229 1.00 0.00 H new ATOM 0 HD12 LEU A 43 21.906 10.979 -19.102 1.00 0.00 H new ATOM 0 HD13 LEU A 43 23.065 10.938 -20.451 1.00 0.00 H new ATOM 0 HD21 LEU A 43 23.049 13.948 -21.039 1.00 0.00 H new ATOM 0 HD22 LEU A 43 22.945 12.657 -22.259 1.00 0.00 H new ATOM 0 HD23 LEU A 43 21.699 13.927 -22.198 1.00 0.00 H new ATOM 990 N VAL A 44 17.145 11.567 -21.231 1.00 0.00 N ATOM 991 CA VAL A 44 15.923 11.310 -22.046 1.00 0.00 C ATOM 992 C VAL A 44 15.427 12.636 -22.640 1.00 0.00 C ATOM 993 O VAL A 44 15.395 13.656 -21.953 1.00 0.00 O ATOM 994 CB VAL A 44 14.831 10.707 -21.159 1.00 0.00 C ATOM 995 CG1 VAL A 44 15.271 9.323 -20.676 1.00 0.00 C ATOM 996 CG2 VAL A 44 14.597 11.616 -19.951 1.00 0.00 C ATOM 0 H VAL A 44 17.078 12.354 -20.585 1.00 0.00 H new ATOM 0 HA VAL A 44 16.159 10.612 -22.849 1.00 0.00 H new ATOM 0 HB VAL A 44 13.908 10.616 -21.731 1.00 0.00 H new ATOM 0 HG11 VAL A 44 14.493 8.894 -20.044 1.00 0.00 H new ATOM 0 HG12 VAL A 44 15.439 8.674 -21.536 1.00 0.00 H new ATOM 0 HG13 VAL A 44 16.194 9.414 -20.104 1.00 0.00 H new ATOM 0 HG21 VAL A 44 13.819 11.188 -19.319 1.00 0.00 H new ATOM 0 HG22 VAL A 44 15.521 11.707 -19.379 1.00 0.00 H new ATOM 0 HG23 VAL A 44 14.284 12.602 -20.293 1.00 0.00 H new ATOM 997 N SER A 45 15.045 12.655 -23.899 1.00 0.00 N ATOM 998 CA SER A 45 14.565 13.931 -24.508 1.00 0.00 C ATOM 999 C SER A 45 13.159 13.737 -25.091 1.00 0.00 C ATOM 1000 O SER A 45 12.863 12.709 -25.698 1.00 0.00 O ATOM 1001 CB SER A 45 15.523 14.354 -25.621 1.00 0.00 C ATOM 1002 OG SER A 45 16.695 14.916 -25.045 1.00 0.00 O ATOM 0 H SER A 45 15.046 11.847 -24.522 1.00 0.00 H new ATOM 0 HA SER A 45 14.530 14.703 -23.740 1.00 0.00 H new ATOM 0 HB2 SER A 45 15.784 13.494 -26.238 1.00 0.00 H new ATOM 0 HB3 SER A 45 15.041 15.081 -26.275 1.00 0.00 H new ATOM 0 HG SER A 45 17.312 15.187 -25.757 1.00 0.00 H new ATOM 1003 N ARG A 46 12.283 14.707 -24.928 1.00 0.00 N ATOM 1004 CA ARG A 46 10.907 14.569 -25.484 1.00 0.00 C ATOM 1005 C ARG A 46 10.735 15.536 -26.666 1.00 0.00 C ATOM 1006 O ARG A 46 9.685 16.155 -26.824 1.00 0.00 O ATOM 1007 CB ARG A 46 9.881 14.903 -24.398 1.00 0.00 C ATOM 1008 CG ARG A 46 8.494 14.431 -24.841 1.00 0.00 C ATOM 1009 CD ARG A 46 7.413 15.189 -24.063 1.00 0.00 C ATOM 1010 NE ARG A 46 6.829 14.293 -23.026 1.00 0.00 N ATOM 1011 CZ ARG A 46 5.729 13.635 -23.278 1.00 0.00 C ATOM 1012 NH1 ARG A 46 5.731 12.678 -24.164 1.00 0.00 N ATOM 1013 NH2 ARG A 46 4.629 13.936 -22.645 1.00 0.00 N ATOM 0 H ARG A 46 12.467 15.581 -24.436 1.00 0.00 H new ATOM 0 HA ARG A 46 10.753 13.545 -25.825 1.00 0.00 H new ATOM 0 HB2 ARG A 46 10.158 14.421 -23.461 1.00 0.00 H new ATOM 0 HB3 ARG A 46 9.869 15.977 -24.213 1.00 0.00 H new ATOM 0 HG2 ARG A 46 8.368 14.597 -25.911 1.00 0.00 H new ATOM 0 HG3 ARG A 46 8.393 13.359 -24.671 1.00 0.00 H new ATOM 0 HD2 ARG A 46 7.841 16.075 -23.594 1.00 0.00 H new ATOM 0 HD3 ARG A 46 6.634 15.533 -24.743 1.00 0.00 H new ATOM 0 HE ARG A 46 7.287 14.193 -22.120 1.00 0.00 H new ATOM 0 HH11 ARG A 46 6.591 12.444 -24.660 1.00 0.00 H new ATOM 0 HH12 ARG A 46 4.872 12.164 -24.361 1.00 0.00 H new ATOM 0 HH21 ARG A 46 4.628 14.685 -21.953 1.00 0.00 H new ATOM 0 HH22 ARG A 46 3.770 13.422 -22.842 1.00 0.00 H new ATOM 1014 N SER A 47 11.741 15.681 -27.504 1.00 0.00 N ATOM 1015 CA SER A 47 11.612 16.607 -28.667 1.00 0.00 C ATOM 1016 C SER A 47 11.235 15.796 -29.917 1.00 0.00 C ATOM 1017 O SER A 47 11.342 14.570 -29.920 1.00 0.00 O ATOM 1018 CB SER A 47 12.944 17.324 -28.904 1.00 0.00 C ATOM 1019 OG SER A 47 13.963 16.357 -29.127 1.00 0.00 O ATOM 0 H SER A 47 12.637 15.199 -27.429 1.00 0.00 H new ATOM 0 HA SER A 47 10.838 17.347 -28.462 1.00 0.00 H new ATOM 0 HB2 SER A 47 12.864 17.990 -29.763 1.00 0.00 H new ATOM 0 HB3 SER A 47 13.196 17.943 -28.043 1.00 0.00 H new ATOM 0 HG SER A 47 14.817 16.812 -29.281 1.00 0.00 H new ATOM 1020 N LEU A 48 10.796 16.438 -30.980 1.00 0.00 N ATOM 1021 CA LEU A 48 10.419 15.665 -32.215 1.00 0.00 C ATOM 1022 C LEU A 48 11.589 14.763 -32.643 1.00 0.00 C ATOM 1023 O LEU A 48 11.383 13.624 -33.060 1.00 0.00 O ATOM 1024 CB LEU A 48 10.078 16.623 -33.362 1.00 0.00 C ATOM 1025 CG LEU A 48 9.256 15.899 -34.426 1.00 0.00 C ATOM 1026 CD1 LEU A 48 8.304 16.896 -35.098 1.00 0.00 C ATOM 1027 CD2 LEU A 48 10.196 15.299 -35.475 1.00 0.00 C ATOM 0 H LEU A 48 10.683 17.450 -31.047 1.00 0.00 H new ATOM 0 HA LEU A 48 9.546 15.054 -31.987 1.00 0.00 H new ATOM 0 HB2 LEU A 48 9.519 17.477 -32.979 1.00 0.00 H new ATOM 0 HB3 LEU A 48 10.995 17.014 -33.804 1.00 0.00 H new ATOM 0 HG LEU A 48 8.677 15.101 -33.961 1.00 0.00 H new ATOM 0 HD11 LEU A 48 7.716 16.382 -35.858 1.00 0.00 H new ATOM 0 HD12 LEU A 48 7.636 17.323 -34.350 1.00 0.00 H new ATOM 0 HD13 LEU A 48 8.882 17.693 -35.565 1.00 0.00 H new ATOM 0 HD21 LEU A 48 9.610 14.782 -36.235 1.00 0.00 H new ATOM 0 HD22 LEU A 48 10.775 16.095 -35.943 1.00 0.00 H new ATOM 0 HD23 LEU A 48 10.873 14.592 -34.995 1.00 0.00 H new ATOM 1028 N LYS A 49 12.813 15.241 -32.553 1.00 0.00 N ATOM 1029 CA LYS A 49 13.974 14.385 -32.964 1.00 0.00 C ATOM 1030 C LYS A 49 14.093 13.189 -32.007 1.00 0.00 C ATOM 1031 O LYS A 49 14.364 12.068 -32.434 1.00 0.00 O ATOM 1032 CB LYS A 49 15.277 15.196 -32.923 1.00 0.00 C ATOM 1033 CG LYS A 49 15.332 16.139 -34.126 1.00 0.00 C ATOM 1034 CD LYS A 49 16.309 17.281 -33.838 1.00 0.00 C ATOM 1035 CE LYS A 49 17.743 16.753 -33.897 1.00 0.00 C ATOM 1036 NZ LYS A 49 18.696 17.898 -33.862 1.00 0.00 N ATOM 0 H LYS A 49 13.054 16.174 -32.217 1.00 0.00 H new ATOM 0 HA LYS A 49 13.806 14.032 -33.982 1.00 0.00 H new ATOM 0 HB2 LYS A 49 15.332 15.768 -31.997 1.00 0.00 H new ATOM 0 HB3 LYS A 49 16.136 14.525 -32.935 1.00 0.00 H new ATOM 0 HG2 LYS A 49 15.647 15.593 -35.015 1.00 0.00 H new ATOM 0 HG3 LYS A 49 14.340 16.539 -34.333 1.00 0.00 H new ATOM 0 HD2 LYS A 49 16.175 18.081 -34.566 1.00 0.00 H new ATOM 0 HD3 LYS A 49 16.107 17.707 -32.855 1.00 0.00 H new ATOM 0 HE2 LYS A 49 17.930 16.084 -33.057 1.00 0.00 H new ATOM 0 HE3 LYS A 49 17.890 16.171 -34.807 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 19.671 17.539 -33.902 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 18.522 18.520 -34.677 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 18.561 18.435 -32.982 1.00 0.00 H new ATOM 1037 N MET A 50 13.895 13.395 -30.721 1.00 0.00 N ATOM 1038 CA MET A 50 14.001 12.260 -29.761 1.00 0.00 C ATOM 1039 C MET A 50 12.592 11.768 -29.396 1.00 0.00 C ATOM 1040 O MET A 50 12.183 11.826 -28.235 1.00 0.00 O ATOM 1041 CB MET A 50 14.727 12.729 -28.495 1.00 0.00 C ATOM 1042 CG MET A 50 16.226 12.860 -28.778 1.00 0.00 C ATOM 1043 SD MET A 50 17.088 11.396 -28.153 1.00 0.00 S ATOM 1044 CE MET A 50 18.347 11.306 -29.449 1.00 0.00 C ATOM 0 H MET A 50 13.666 14.297 -30.304 1.00 0.00 H new ATOM 0 HA MET A 50 14.562 11.445 -30.218 1.00 0.00 H new ATOM 0 HB2 MET A 50 14.324 13.687 -28.167 1.00 0.00 H new ATOM 0 HB3 MET A 50 14.561 12.019 -27.685 1.00 0.00 H new ATOM 0 HG2 MET A 50 16.397 12.966 -29.849 1.00 0.00 H new ATOM 0 HG3 MET A 50 16.620 13.758 -28.302 1.00 0.00 H new ATOM 0 HE1 MET A 50 19.004 10.457 -29.260 1.00 0.00 H new ATOM 0 HE2 MET A 50 17.863 11.182 -30.418 1.00 0.00 H new ATOM 0 HE3 MET A 50 18.933 12.225 -29.451 1.00 0.00 H new ATOM 1045 N ARG A 51 11.834 11.286 -30.357 1.00 0.00 N ATOM 1046 CA ARG A 51 10.457 10.802 -30.047 1.00 0.00 C ATOM 1047 C ARG A 51 10.423 9.264 -30.111 1.00 0.00 C ATOM 1048 O ARG A 51 9.637 8.680 -30.855 1.00 0.00 O ATOM 1049 CB ARG A 51 9.473 11.386 -31.066 1.00 0.00 C ATOM 1050 CG ARG A 51 8.772 12.606 -30.462 1.00 0.00 C ATOM 1051 CD ARG A 51 7.789 13.187 -31.480 1.00 0.00 C ATOM 1052 NE ARG A 51 7.164 14.417 -30.919 1.00 0.00 N ATOM 1053 CZ ARG A 51 6.433 14.345 -29.841 1.00 0.00 C ATOM 1054 NH1 ARG A 51 5.365 13.595 -29.827 1.00 0.00 N ATOM 1055 NH2 ARG A 51 6.769 15.021 -28.777 1.00 0.00 N ATOM 0 H ARG A 51 12.112 11.209 -31.335 1.00 0.00 H new ATOM 0 HA ARG A 51 10.174 11.124 -29.045 1.00 0.00 H new ATOM 0 HB2 ARG A 51 10.002 11.671 -31.975 1.00 0.00 H new ATOM 0 HB3 ARG A 51 8.737 10.634 -31.348 1.00 0.00 H new ATOM 0 HG2 ARG A 51 8.244 12.321 -29.552 1.00 0.00 H new ATOM 0 HG3 ARG A 51 9.508 13.359 -30.181 1.00 0.00 H new ATOM 0 HD2 ARG A 51 8.307 13.421 -32.410 1.00 0.00 H new ATOM 0 HD3 ARG A 51 7.020 12.452 -31.720 1.00 0.00 H new ATOM 0 HE ARG A 51 7.308 15.316 -31.378 1.00 0.00 H new ATOM 0 HH11 ARG A 51 5.103 13.066 -30.659 1.00 0.00 H new ATOM 0 HH12 ARG A 51 4.793 13.538 -28.985 1.00 0.00 H new ATOM 0 HH21 ARG A 51 7.604 15.607 -28.787 1.00 0.00 H new ATOM 0 HH22 ARG A 51 6.197 14.964 -27.935 1.00 0.00 H new ATOM 1056 N GLY A 52 11.255 8.592 -29.343 1.00 0.00 N ATOM 1057 CA GLY A 52 11.249 7.097 -29.368 1.00 0.00 C ATOM 1058 C GLY A 52 12.665 6.559 -29.096 1.00 0.00 C ATOM 1059 O GLY A 52 13.221 5.820 -29.905 1.00 0.00 O ATOM 0 H GLY A 52 11.931 9.014 -28.706 1.00 0.00 H new ATOM 0 HA2 GLY A 52 10.556 6.716 -28.618 1.00 0.00 H new ATOM 0 HA3 GLY A 52 10.897 6.743 -30.337 1.00 0.00 H new ATOM 1060 N GLN A 53 13.259 6.905 -27.972 1.00 0.00 N ATOM 1061 CA GLN A 53 14.638 6.396 -27.671 1.00 0.00 C ATOM 1062 C GLN A 53 15.104 6.886 -26.284 1.00 0.00 C ATOM 1063 O GLN A 53 14.386 7.611 -25.596 1.00 0.00 O ATOM 1064 CB GLN A 53 15.613 6.906 -28.738 1.00 0.00 C ATOM 1065 CG GLN A 53 15.482 8.429 -28.882 1.00 0.00 C ATOM 1066 CD GLN A 53 14.840 8.767 -30.235 1.00 0.00 C ATOM 1067 OE1 GLN A 53 13.618 8.753 -30.363 1.00 0.00 O ATOM 1068 NE2 GLN A 53 15.598 9.070 -31.260 1.00 0.00 N ATOM 0 H GLN A 53 12.852 7.511 -27.259 1.00 0.00 H new ATOM 0 HA GLN A 53 14.617 5.306 -27.673 1.00 0.00 H new ATOM 0 HB2 GLN A 53 16.635 6.645 -28.464 1.00 0.00 H new ATOM 0 HB3 GLN A 53 15.406 6.423 -29.693 1.00 0.00 H new ATOM 0 HG2 GLN A 53 14.875 8.830 -28.070 1.00 0.00 H new ATOM 0 HG3 GLN A 53 16.464 8.897 -28.807 1.00 0.00 H new ATOM 0 HE21 GLN A 53 16.613 9.083 -31.158 1.00 0.00 H new ATOM 0 HE22 GLN A 53 15.173 9.293 -32.160 1.00 0.00 H new ATOM 1069 N ALA A 54 16.289 6.507 -25.853 1.00 0.00 N ATOM 1070 CA ALA A 54 16.768 6.966 -24.510 1.00 0.00 C ATOM 1071 C ALA A 54 18.288 6.761 -24.378 1.00 0.00 C ATOM 1072 O ALA A 54 18.941 6.263 -25.293 1.00 0.00 O ATOM 1073 CB ALA A 54 16.054 6.165 -23.419 1.00 0.00 C ATOM 0 H ALA A 54 16.935 5.908 -26.367 1.00 0.00 H new ATOM 0 HA ALA A 54 16.546 8.028 -24.402 1.00 0.00 H new ATOM 0 HB1 ALA A 54 16.400 6.496 -22.440 1.00 0.00 H new ATOM 0 HB2 ALA A 54 14.978 6.323 -23.497 1.00 0.00 H new ATOM 0 HB3 ALA A 54 16.275 5.105 -23.543 1.00 0.00 H new ATOM 1074 N PHE A 55 18.867 7.132 -23.255 1.00 0.00 N ATOM 1075 CA PHE A 55 20.337 6.951 -23.077 1.00 0.00 C ATOM 1076 C PHE A 55 20.613 6.414 -21.664 1.00 0.00 C ATOM 1077 O PHE A 55 20.004 6.861 -20.693 1.00 0.00 O ATOM 1078 CB PHE A 55 21.042 8.297 -23.253 1.00 0.00 C ATOM 1079 CG PHE A 55 21.121 8.645 -24.720 1.00 0.00 C ATOM 1080 CD1 PHE A 55 22.184 8.169 -25.497 1.00 0.00 C ATOM 1081 CD2 PHE A 55 20.133 9.448 -25.303 1.00 0.00 C ATOM 1082 CE1 PHE A 55 22.259 8.496 -26.856 1.00 0.00 C ATOM 1083 CE2 PHE A 55 20.208 9.775 -26.662 1.00 0.00 C ATOM 1084 CZ PHE A 55 21.271 9.299 -27.438 1.00 0.00 C ATOM 0 H PHE A 55 18.382 7.550 -22.461 1.00 0.00 H new ATOM 0 HA PHE A 55 20.710 6.245 -23.819 1.00 0.00 H new ATOM 0 HB2 PHE A 55 20.501 9.075 -22.714 1.00 0.00 H new ATOM 0 HB3 PHE A 55 22.044 8.252 -22.826 1.00 0.00 H new ATOM 0 HD1 PHE A 55 22.946 7.550 -25.048 1.00 0.00 H new ATOM 0 HD2 PHE A 55 19.313 9.815 -24.704 1.00 0.00 H new ATOM 0 HE1 PHE A 55 23.079 8.129 -27.455 1.00 0.00 H new ATOM 0 HE2 PHE A 55 19.446 10.394 -27.111 1.00 0.00 H new ATOM 0 HZ PHE A 55 21.329 9.551 -28.486 1.00 0.00 H new ATOM 1085 N VAL A 56 21.517 5.467 -21.520 1.00 0.00 N ATOM 1086 CA VAL A 56 21.810 4.924 -20.160 1.00 0.00 C ATOM 1087 C VAL A 56 23.326 4.755 -19.988 1.00 0.00 C ATOM 1088 O VAL A 56 23.930 3.877 -20.598 1.00 0.00 O ATOM 1089 CB VAL A 56 21.125 3.564 -19.996 1.00 0.00 C ATOM 1090 CG1 VAL A 56 21.365 3.031 -18.577 1.00 0.00 C ATOM 1091 CG2 VAL A 56 19.622 3.721 -20.238 1.00 0.00 C ATOM 0 H VAL A 56 22.057 5.054 -22.281 1.00 0.00 H new ATOM 0 HA VAL A 56 21.435 5.616 -19.406 1.00 0.00 H new ATOM 0 HB VAL A 56 21.539 2.860 -20.718 1.00 0.00 H new ATOM 0 HG11 VAL A 56 20.876 2.063 -18.464 1.00 0.00 H new ATOM 0 HG12 VAL A 56 22.436 2.919 -18.407 1.00 0.00 H new ATOM 0 HG13 VAL A 56 20.954 3.732 -17.851 1.00 0.00 H new ATOM 0 HG21 VAL A 56 19.132 2.754 -20.122 1.00 0.00 H new ATOM 0 HG22 VAL A 56 19.209 4.426 -19.517 1.00 0.00 H new ATOM 0 HG23 VAL A 56 19.453 4.094 -21.248 1.00 0.00 H new ATOM 1092 N ILE A 57 23.956 5.562 -19.163 1.00 0.00 N ATOM 1093 CA ILE A 57 25.428 5.413 -18.967 1.00 0.00 C ATOM 1094 C ILE A 57 25.678 4.462 -17.790 1.00 0.00 C ATOM 1095 O ILE A 57 25.308 4.758 -16.655 1.00 0.00 O ATOM 1096 CB ILE A 57 26.063 6.776 -18.668 1.00 0.00 C ATOM 1097 CG1 ILE A 57 25.602 7.799 -19.709 1.00 0.00 C ATOM 1098 CG2 ILE A 57 27.586 6.647 -18.724 1.00 0.00 C ATOM 1099 CD1 ILE A 57 26.091 9.191 -19.307 1.00 0.00 C ATOM 0 H ILE A 57 23.516 6.308 -18.624 1.00 0.00 H new ATOM 0 HA ILE A 57 25.875 5.010 -19.876 1.00 0.00 H new ATOM 0 HB ILE A 57 25.758 7.108 -17.676 1.00 0.00 H new ATOM 0 HG12 ILE A 57 25.992 7.535 -20.692 1.00 0.00 H new ATOM 0 HG13 ILE A 57 24.515 7.792 -19.785 1.00 0.00 H new ATOM 0 HG21 ILE A 57 28.041 7.614 -18.512 1.00 0.00 H new ATOM 0 HG22 ILE A 57 27.917 5.920 -17.983 1.00 0.00 H new ATOM 0 HG23 ILE A 57 27.887 6.315 -19.718 1.00 0.00 H new ATOM 0 HD11 ILE A 57 25.763 9.920 -20.048 1.00 0.00 H new ATOM 0 HD12 ILE A 57 25.679 9.454 -18.333 1.00 0.00 H new ATOM 0 HD13 ILE A 57 27.180 9.193 -19.253 1.00 0.00 H new ATOM 1100 N PHE A 58 26.294 3.325 -18.029 1.00 0.00 N ATOM 1101 CA PHE A 58 26.549 2.373 -16.906 1.00 0.00 C ATOM 1102 C PHE A 58 27.889 2.713 -16.243 1.00 0.00 C ATOM 1103 O PHE A 58 28.815 3.184 -16.902 1.00 0.00 O ATOM 1104 CB PHE A 58 26.595 0.937 -17.437 1.00 0.00 C ATOM 1105 CG PHE A 58 25.244 0.286 -17.257 1.00 0.00 C ATOM 1106 CD1 PHE A 58 24.705 0.126 -15.974 1.00 0.00 C ATOM 1107 CD2 PHE A 58 24.533 -0.164 -18.376 1.00 0.00 C ATOM 1108 CE1 PHE A 58 23.456 -0.483 -15.812 1.00 0.00 C ATOM 1109 CE2 PHE A 58 23.283 -0.773 -18.213 1.00 0.00 C ATOM 1110 CZ PHE A 58 22.745 -0.933 -16.931 1.00 0.00 C ATOM 0 H PHE A 58 26.627 3.021 -18.944 1.00 0.00 H new ATOM 0 HA PHE A 58 25.745 2.459 -16.176 1.00 0.00 H new ATOM 0 HB2 PHE A 58 26.872 0.937 -18.491 1.00 0.00 H new ATOM 0 HB3 PHE A 58 27.358 0.367 -16.907 1.00 0.00 H new ATOM 0 HD1 PHE A 58 25.253 0.473 -15.110 1.00 0.00 H new ATOM 0 HD2 PHE A 58 24.949 -0.041 -19.365 1.00 0.00 H new ATOM 0 HE1 PHE A 58 23.040 -0.606 -14.823 1.00 0.00 H new ATOM 0 HE2 PHE A 58 22.734 -1.119 -19.076 1.00 0.00 H new ATOM 0 HZ PHE A 58 21.781 -1.404 -16.805 1.00 0.00 H new ATOM 1111 N LYS A 59 28.019 2.486 -14.951 1.00 0.00 N ATOM 1112 CA LYS A 59 29.318 2.801 -14.259 1.00 0.00 C ATOM 1113 C LYS A 59 30.498 2.195 -15.045 1.00 0.00 C ATOM 1114 O LYS A 59 31.574 2.786 -15.113 1.00 0.00 O ATOM 1115 CB LYS A 59 29.313 2.223 -12.837 1.00 0.00 C ATOM 1116 CG LYS A 59 30.546 2.719 -12.079 1.00 0.00 C ATOM 1117 CD LYS A 59 30.988 1.657 -11.071 1.00 0.00 C ATOM 1118 CE LYS A 59 30.175 1.805 -9.784 1.00 0.00 C ATOM 1119 NZ LYS A 59 30.807 2.836 -8.913 1.00 0.00 N ATOM 0 H LYS A 59 27.290 2.100 -14.351 1.00 0.00 H new ATOM 0 HA LYS A 59 29.430 3.884 -14.211 1.00 0.00 H new ATOM 0 HB2 LYS A 59 28.406 2.525 -12.314 1.00 0.00 H new ATOM 0 HB3 LYS A 59 29.311 1.134 -12.876 1.00 0.00 H new ATOM 0 HG2 LYS A 59 31.355 2.931 -12.778 1.00 0.00 H new ATOM 0 HG3 LYS A 59 30.318 3.652 -11.564 1.00 0.00 H new ATOM 0 HD2 LYS A 59 30.846 0.661 -11.491 1.00 0.00 H new ATOM 0 HD3 LYS A 59 32.051 1.764 -10.856 1.00 0.00 H new ATOM 0 HE2 LYS A 59 29.150 2.091 -10.020 1.00 0.00 H new ATOM 0 HE3 LYS A 59 30.127 0.851 -9.260 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 30.255 2.937 -8.038 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 31.777 2.545 -8.678 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 30.831 3.747 -9.414 1.00 0.00 H new ATOM 1120 N GLU A 60 30.323 1.034 -15.644 1.00 0.00 N ATOM 1121 CA GLU A 60 31.438 0.422 -16.418 1.00 0.00 C ATOM 1122 C GLU A 60 30.905 -0.100 -17.764 1.00 0.00 C ATOM 1123 O GLU A 60 29.699 -0.243 -17.950 1.00 0.00 O ATOM 1124 CB GLU A 60 32.055 -0.734 -15.618 1.00 0.00 C ATOM 1125 CG GLU A 60 30.994 -1.808 -15.330 1.00 0.00 C ATOM 1126 CD GLU A 60 30.893 -2.045 -13.821 1.00 0.00 C ATOM 1127 OE1 GLU A 60 31.676 -2.831 -13.311 1.00 0.00 O ATOM 1128 OE2 GLU A 60 30.035 -1.439 -13.202 1.00 0.00 O ATOM 0 H GLU A 60 29.458 0.493 -15.626 1.00 0.00 H new ATOM 0 HA GLU A 60 32.204 1.175 -16.602 1.00 0.00 H new ATOM 0 HB2 GLU A 60 32.883 -1.171 -16.177 1.00 0.00 H new ATOM 0 HB3 GLU A 60 32.466 -0.358 -14.681 1.00 0.00 H new ATOM 0 HG2 GLU A 60 30.028 -1.492 -15.723 1.00 0.00 H new ATOM 0 HG3 GLU A 60 31.256 -2.737 -15.837 1.00 0.00 H new ATOM 1129 N VAL A 61 31.777 -0.382 -18.710 1.00 0.00 N ATOM 1130 CA VAL A 61 31.298 -0.887 -20.040 1.00 0.00 C ATOM 1131 C VAL A 61 30.682 -2.287 -19.885 1.00 0.00 C ATOM 1132 O VAL A 61 29.698 -2.612 -20.545 1.00 0.00 O ATOM 1133 CB VAL A 61 32.466 -0.955 -21.038 1.00 0.00 C ATOM 1134 CG1 VAL A 61 31.953 -1.405 -22.412 1.00 0.00 C ATOM 1135 CG2 VAL A 61 33.108 0.431 -21.160 1.00 0.00 C ATOM 0 H VAL A 61 32.788 -0.285 -18.619 1.00 0.00 H new ATOM 0 HA VAL A 61 30.542 -0.198 -20.417 1.00 0.00 H new ATOM 0 HB VAL A 61 33.205 -1.672 -20.681 1.00 0.00 H new ATOM 0 HG11 VAL A 61 32.786 -1.451 -23.114 1.00 0.00 H new ATOM 0 HG12 VAL A 61 31.497 -2.391 -22.325 1.00 0.00 H new ATOM 0 HG13 VAL A 61 31.212 -0.693 -22.775 1.00 0.00 H new ATOM 0 HG21 VAL A 61 33.937 0.387 -21.867 1.00 0.00 H new ATOM 0 HG22 VAL A 61 32.366 1.146 -21.515 1.00 0.00 H new ATOM 0 HG23 VAL A 61 33.479 0.747 -20.185 1.00 0.00 H new ATOM 1136 N SER A 62 31.238 -3.127 -19.043 1.00 0.00 N ATOM 1137 CA SER A 62 30.665 -4.506 -18.877 1.00 0.00 C ATOM 1138 C SER A 62 29.192 -4.428 -18.437 1.00 0.00 C ATOM 1139 O SER A 62 28.385 -5.275 -18.815 1.00 0.00 O ATOM 1140 CB SER A 62 31.461 -5.290 -17.826 1.00 0.00 C ATOM 1141 OG SER A 62 31.161 -4.780 -16.534 1.00 0.00 O ATOM 0 H SER A 62 32.055 -2.922 -18.468 1.00 0.00 H new ATOM 0 HA SER A 62 30.728 -5.017 -19.838 1.00 0.00 H new ATOM 0 HB2 SER A 62 31.210 -6.349 -17.879 1.00 0.00 H new ATOM 0 HB3 SER A 62 32.529 -5.205 -18.024 1.00 0.00 H new ATOM 0 HG SER A 62 31.667 -5.280 -15.860 1.00 0.00 H new ATOM 1142 N SER A 63 28.817 -3.448 -17.640 1.00 0.00 N ATOM 1143 CA SER A 63 27.387 -3.361 -17.186 1.00 0.00 C ATOM 1144 C SER A 63 26.457 -3.108 -18.388 1.00 0.00 C ATOM 1145 O SER A 63 25.348 -3.642 -18.445 1.00 0.00 O ATOM 1146 CB SER A 63 27.219 -2.221 -16.176 1.00 0.00 C ATOM 1147 OG SER A 63 27.409 -2.727 -14.861 1.00 0.00 O ATOM 0 H SER A 63 29.431 -2.714 -17.289 1.00 0.00 H new ATOM 0 HA SER A 63 27.122 -4.308 -16.715 1.00 0.00 H new ATOM 0 HB2 SER A 63 27.939 -1.429 -16.381 1.00 0.00 H new ATOM 0 HB3 SER A 63 26.226 -1.781 -16.269 1.00 0.00 H new ATOM 0 HG SER A 63 27.304 -2.000 -14.212 1.00 0.00 H new ATOM 1148 N ALA A 64 26.878 -2.320 -19.356 1.00 0.00 N ATOM 1149 CA ALA A 64 25.997 -2.067 -20.538 1.00 0.00 C ATOM 1150 C ALA A 64 25.951 -3.319 -21.423 1.00 0.00 C ATOM 1151 O ALA A 64 24.969 -3.546 -22.128 1.00 0.00 O ATOM 1152 CB ALA A 64 26.526 -0.882 -21.360 1.00 0.00 C ATOM 0 H ALA A 64 27.782 -1.849 -19.376 1.00 0.00 H new ATOM 0 HA ALA A 64 24.995 -1.830 -20.181 1.00 0.00 H new ATOM 0 HB1 ALA A 64 25.873 -0.712 -22.216 1.00 0.00 H new ATOM 0 HB2 ALA A 64 26.547 0.012 -20.737 1.00 0.00 H new ATOM 0 HB3 ALA A 64 27.534 -1.104 -21.711 1.00 0.00 H new ATOM 1153 N THR A 65 26.982 -4.142 -21.413 1.00 0.00 N ATOM 1154 CA THR A 65 26.951 -5.361 -22.268 1.00 0.00 C ATOM 1155 C THR A 65 25.889 -6.334 -21.733 1.00 0.00 C ATOM 1156 O THR A 65 25.175 -6.969 -22.508 1.00 0.00 O ATOM 1157 CB THR A 65 28.322 -6.054 -22.276 1.00 0.00 C ATOM 1158 OG1 THR A 65 29.330 -5.100 -22.577 1.00 0.00 O ATOM 1159 CG2 THR A 65 28.330 -7.160 -23.332 1.00 0.00 C ATOM 0 H THR A 65 27.827 -4.018 -20.856 1.00 0.00 H new ATOM 0 HA THR A 65 26.704 -5.065 -23.288 1.00 0.00 H new ATOM 0 HB THR A 65 28.516 -6.490 -21.296 1.00 0.00 H new ATOM 0 HG1 THR A 65 29.143 -4.690 -23.447 1.00 0.00 H new ATOM 0 HG21 THR A 65 29.303 -7.651 -23.337 1.00 0.00 H new ATOM 0 HG22 THR A 65 27.556 -7.891 -23.099 1.00 0.00 H new ATOM 0 HG23 THR A 65 28.137 -6.727 -24.314 1.00 0.00 H new ATOM 1160 N ASN A 66 25.759 -6.467 -20.429 1.00 0.00 N ATOM 1161 CA ASN A 66 24.726 -7.403 -19.879 1.00 0.00 C ATOM 1162 C ASN A 66 23.329 -6.845 -20.185 1.00 0.00 C ATOM 1163 O ASN A 66 22.423 -7.588 -20.558 1.00 0.00 O ATOM 1164 CB ASN A 66 24.892 -7.553 -18.360 1.00 0.00 C ATOM 1165 CG ASN A 66 26.157 -8.367 -18.061 1.00 0.00 C ATOM 1166 OD1 ASN A 66 27.059 -7.887 -17.378 1.00 0.00 O ATOM 1167 ND2 ASN A 66 26.280 -9.582 -18.536 1.00 0.00 N ATOM 0 H ASN A 66 26.317 -5.974 -19.732 1.00 0.00 H new ATOM 0 HA ASN A 66 24.850 -8.381 -20.344 1.00 0.00 H new ATOM 0 HB2 ASN A 66 24.960 -6.571 -17.892 1.00 0.00 H new ATOM 0 HB3 ASN A 66 24.019 -8.049 -17.935 1.00 0.00 H new ATOM 0 HD21 ASN A 66 27.121 -10.124 -18.338 1.00 0.00 H new ATOM 0 HD22 ASN A 66 25.535 -9.986 -19.103 1.00 0.00 H new ATOM 1168 N ALA A 67 23.131 -5.549 -20.042 1.00 0.00 N ATOM 1169 CA ALA A 67 21.777 -4.969 -20.339 1.00 0.00 C ATOM 1170 C ALA A 67 21.368 -5.326 -21.781 1.00 0.00 C ATOM 1171 O ALA A 67 20.204 -5.616 -22.048 1.00 0.00 O ATOM 1172 CB ALA A 67 21.805 -3.443 -20.186 1.00 0.00 C ATOM 0 H ALA A 67 23.837 -4.879 -19.737 1.00 0.00 H new ATOM 0 HA ALA A 67 21.056 -5.385 -19.635 1.00 0.00 H new ATOM 0 HB1 ALA A 67 20.817 -3.037 -20.404 1.00 0.00 H new ATOM 0 HB2 ALA A 67 22.086 -3.185 -19.165 1.00 0.00 H new ATOM 0 HB3 ALA A 67 22.532 -3.021 -20.880 1.00 0.00 H new ATOM 1173 N LEU A 68 22.297 -5.313 -22.717 1.00 0.00 N ATOM 1174 CA LEU A 68 21.931 -5.657 -24.131 1.00 0.00 C ATOM 1175 C LEU A 68 21.582 -7.152 -24.229 1.00 0.00 C ATOM 1176 O LEU A 68 20.690 -7.536 -24.985 1.00 0.00 O ATOM 1177 CB LEU A 68 23.103 -5.349 -25.073 1.00 0.00 C ATOM 1178 CG LEU A 68 22.566 -5.034 -26.470 1.00 0.00 C ATOM 1179 CD1 LEU A 68 22.389 -3.522 -26.620 1.00 0.00 C ATOM 1180 CD2 LEU A 68 23.557 -5.536 -27.522 1.00 0.00 C ATOM 0 H LEU A 68 23.279 -5.082 -22.564 1.00 0.00 H new ATOM 0 HA LEU A 68 21.068 -5.058 -24.424 1.00 0.00 H new ATOM 0 HB2 LEU A 68 23.676 -4.503 -24.693 1.00 0.00 H new ATOM 0 HB3 LEU A 68 23.782 -6.201 -25.116 1.00 0.00 H new ATOM 0 HG LEU A 68 21.605 -5.529 -26.609 1.00 0.00 H new ATOM 0 HD11 LEU A 68 22.006 -3.297 -27.616 1.00 0.00 H new ATOM 0 HD12 LEU A 68 21.684 -3.162 -25.871 1.00 0.00 H new ATOM 0 HD13 LEU A 68 23.350 -3.028 -26.481 1.00 0.00 H new ATOM 0 HD21 LEU A 68 23.175 -5.312 -28.518 1.00 0.00 H new ATOM 0 HD22 LEU A 68 24.518 -5.041 -27.382 1.00 0.00 H new ATOM 0 HD23 LEU A 68 23.685 -6.613 -27.416 1.00 0.00 H new ATOM 1181 N ARG A 69 22.256 -8.009 -23.487 1.00 0.00 N ATOM 1182 CA ARG A 69 21.938 -9.465 -23.557 1.00 0.00 C ATOM 1183 C ARG A 69 20.939 -9.821 -22.445 1.00 0.00 C ATOM 1184 O ARG A 69 21.201 -10.686 -21.611 1.00 0.00 O ATOM 1185 CB ARG A 69 23.220 -10.286 -23.381 1.00 0.00 C ATOM 1186 CG ARG A 69 24.243 -9.865 -24.438 1.00 0.00 C ATOM 1187 CD ARG A 69 25.652 -9.953 -23.848 1.00 0.00 C ATOM 1188 NE ARG A 69 26.641 -10.130 -24.949 1.00 0.00 N ATOM 1189 CZ ARG A 69 27.567 -11.044 -24.854 1.00 0.00 C ATOM 1190 NH1 ARG A 69 28.661 -10.797 -24.187 1.00 0.00 N ATOM 1191 NH2 ARG A 69 27.399 -12.206 -25.424 1.00 0.00 N ATOM 0 H ARG A 69 23.006 -7.758 -22.843 1.00 0.00 H new ATOM 0 HA ARG A 69 21.500 -9.694 -24.528 1.00 0.00 H new ATOM 0 HB2 ARG A 69 23.629 -10.133 -22.382 1.00 0.00 H new ATOM 0 HB3 ARG A 69 23.000 -11.349 -23.476 1.00 0.00 H new ATOM 0 HG2 ARG A 69 24.163 -10.509 -25.314 1.00 0.00 H new ATOM 0 HG3 ARG A 69 24.040 -8.847 -24.771 1.00 0.00 H new ATOM 0 HD2 ARG A 69 25.878 -9.049 -23.283 1.00 0.00 H new ATOM 0 HD3 ARG A 69 25.714 -10.788 -23.151 1.00 0.00 H new ATOM 0 HE ARG A 69 26.594 -9.536 -25.777 1.00 0.00 H new ATOM 0 HH11 ARG A 69 28.792 -9.890 -23.740 1.00 0.00 H new ATOM 0 HH12 ARG A 69 29.385 -11.511 -24.113 1.00 0.00 H new ATOM 0 HH21 ARG A 69 26.543 -12.400 -25.944 1.00 0.00 H new ATOM 0 HH22 ARG A 69 28.123 -12.920 -25.349 1.00 0.00 H new ATOM 1192 N SER A 70 19.797 -9.168 -22.410 1.00 0.00 N ATOM 1193 CA SER A 70 18.793 -9.475 -21.346 1.00 0.00 C ATOM 1194 C SER A 70 17.403 -8.982 -21.783 1.00 0.00 C ATOM 1195 O SER A 70 16.450 -9.758 -21.843 1.00 0.00 O ATOM 1196 CB SER A 70 19.197 -8.773 -20.048 1.00 0.00 C ATOM 1197 OG SER A 70 18.442 -9.310 -18.970 1.00 0.00 O ATOM 0 H SER A 70 19.522 -8.441 -23.070 1.00 0.00 H new ATOM 0 HA SER A 70 18.758 -10.552 -21.185 1.00 0.00 H new ATOM 0 HB2 SER A 70 20.263 -8.909 -19.864 1.00 0.00 H new ATOM 0 HB3 SER A 70 19.022 -7.700 -20.131 1.00 0.00 H new ATOM 0 HG SER A 70 18.939 -9.196 -18.133 1.00 0.00 H new ATOM 1198 N MET A 71 17.264 -7.710 -22.097 1.00 0.00 N ATOM 1199 CA MET A 71 15.937 -7.192 -22.533 1.00 0.00 C ATOM 1200 C MET A 71 15.943 -6.969 -24.055 1.00 0.00 C ATOM 1201 O MET A 71 15.337 -6.021 -24.550 1.00 0.00 O ATOM 1202 CB MET A 71 15.652 -5.864 -21.826 1.00 0.00 C ATOM 1203 CG MET A 71 15.619 -6.088 -20.314 1.00 0.00 C ATOM 1204 SD MET A 71 15.440 -4.496 -19.472 1.00 0.00 S ATOM 1205 CE MET A 71 13.697 -4.221 -19.875 1.00 0.00 C ATOM 0 H MET A 71 18.013 -7.018 -22.068 1.00 0.00 H new ATOM 0 HA MET A 71 15.164 -7.917 -22.277 1.00 0.00 H new ATOM 0 HB2 MET A 71 16.420 -5.133 -22.079 1.00 0.00 H new ATOM 0 HB3 MET A 71 14.700 -5.456 -22.165 1.00 0.00 H new ATOM 0 HG2 MET A 71 14.791 -6.746 -20.051 1.00 0.00 H new ATOM 0 HG3 MET A 71 16.534 -6.583 -19.989 1.00 0.00 H new ATOM 0 HE1 MET A 71 13.548 -3.178 -20.153 1.00 0.00 H new ATOM 0 HE2 MET A 71 13.410 -4.863 -20.708 1.00 0.00 H new ATOM 0 HE3 MET A 71 13.081 -4.456 -19.007 1.00 0.00 H new ATOM 1206 N GLN A 72 16.607 -7.820 -24.813 1.00 0.00 N ATOM 1207 CA GLN A 72 16.624 -7.628 -26.301 1.00 0.00 C ATOM 1208 C GLN A 72 15.181 -7.666 -26.822 1.00 0.00 C ATOM 1209 O GLN A 72 14.567 -8.729 -26.893 1.00 0.00 O ATOM 1210 CB GLN A 72 17.436 -8.742 -26.977 1.00 0.00 C ATOM 1211 CG GLN A 72 17.847 -8.298 -28.383 1.00 0.00 C ATOM 1212 CD GLN A 72 19.279 -7.747 -28.349 1.00 0.00 C ATOM 1213 OE1 GLN A 72 20.234 -8.511 -28.237 1.00 0.00 O ATOM 1214 NE2 GLN A 72 19.486 -6.456 -28.438 1.00 0.00 N ATOM 0 H GLN A 72 17.129 -8.626 -24.470 1.00 0.00 H new ATOM 0 HA GLN A 72 17.086 -6.668 -26.533 1.00 0.00 H new ATOM 0 HB2 GLN A 72 18.321 -8.971 -26.384 1.00 0.00 H new ATOM 0 HB3 GLN A 72 16.844 -9.655 -27.032 1.00 0.00 H new ATOM 0 HG2 GLN A 72 17.786 -9.139 -29.074 1.00 0.00 H new ATOM 0 HG3 GLN A 72 17.161 -7.534 -28.750 1.00 0.00 H new ATOM 0 HE21 GLN A 72 18.696 -5.818 -28.531 1.00 0.00 H new ATOM 0 HE22 GLN A 72 20.437 -6.089 -28.414 1.00 0.00 H new ATOM 1215 N GLY A 73 14.618 -6.531 -27.178 1.00 0.00 N ATOM 1216 CA GLY A 73 13.212 -6.527 -27.675 1.00 0.00 C ATOM 1217 C GLY A 73 12.275 -6.858 -26.506 1.00 0.00 C ATOM 1218 O GLY A 73 11.676 -7.931 -26.465 1.00 0.00 O ATOM 0 H GLY A 73 15.072 -5.618 -27.144 1.00 0.00 H new ATOM 0 HA2 GLY A 73 12.963 -5.552 -28.095 1.00 0.00 H new ATOM 0 HA3 GLY A 73 13.092 -7.258 -28.474 1.00 0.00 H new ATOM 1219 N PHE A 74 12.143 -5.968 -25.545 1.00 0.00 N ATOM 1220 CA PHE A 74 11.251 -6.259 -24.383 1.00 0.00 C ATOM 1221 C PHE A 74 10.092 -5.249 -24.345 1.00 0.00 C ATOM 1222 O PHE A 74 10.135 -4.239 -25.042 1.00 0.00 O ATOM 1223 CB PHE A 74 12.059 -6.157 -23.085 1.00 0.00 C ATOM 1224 CG PHE A 74 12.416 -7.543 -22.600 1.00 0.00 C ATOM 1225 CD1 PHE A 74 13.057 -8.443 -23.460 1.00 0.00 C ATOM 1226 CD2 PHE A 74 12.106 -7.928 -21.290 1.00 0.00 C ATOM 1227 CE1 PHE A 74 13.388 -9.727 -23.011 1.00 0.00 C ATOM 1228 CE2 PHE A 74 12.436 -9.212 -20.840 1.00 0.00 C ATOM 1229 CZ PHE A 74 13.077 -10.111 -21.701 1.00 0.00 C ATOM 0 H PHE A 74 12.612 -5.062 -25.519 1.00 0.00 H new ATOM 0 HA PHE A 74 10.845 -7.265 -24.486 1.00 0.00 H new ATOM 0 HB2 PHE A 74 12.965 -5.575 -23.254 1.00 0.00 H new ATOM 0 HB3 PHE A 74 11.480 -5.633 -22.325 1.00 0.00 H new ATOM 0 HD1 PHE A 74 13.296 -8.146 -24.471 1.00 0.00 H new ATOM 0 HD2 PHE A 74 11.612 -7.234 -20.626 1.00 0.00 H new ATOM 0 HE1 PHE A 74 13.883 -10.421 -23.675 1.00 0.00 H new ATOM 0 HE2 PHE A 74 12.196 -9.509 -19.830 1.00 0.00 H new ATOM 0 HZ PHE A 74 13.332 -11.102 -21.354 1.00 0.00 H new ATOM 1230 N PRO A 75 9.079 -5.529 -23.540 1.00 0.00 N ATOM 1231 CA PRO A 75 7.910 -4.640 -23.419 1.00 0.00 C ATOM 1232 C PRO A 75 8.240 -3.432 -22.528 1.00 0.00 C ATOM 1233 O PRO A 75 8.705 -3.588 -21.400 1.00 0.00 O ATOM 1234 CB PRO A 75 6.845 -5.524 -22.762 1.00 0.00 C ATOM 1235 CG PRO A 75 7.605 -6.656 -22.032 1.00 0.00 C ATOM 1236 CD PRO A 75 8.998 -6.741 -22.684 1.00 0.00 C ATOM 0 HA PRO A 75 7.587 -4.232 -24.377 1.00 0.00 H new ATOM 0 HB2 PRO A 75 6.241 -4.948 -22.061 1.00 0.00 H new ATOM 0 HB3 PRO A 75 6.165 -5.932 -23.509 1.00 0.00 H new ATOM 0 HG2 PRO A 75 7.688 -6.443 -20.966 1.00 0.00 H new ATOM 0 HG3 PRO A 75 7.074 -7.603 -22.127 1.00 0.00 H new ATOM 0 HD2 PRO A 75 9.788 -6.751 -21.933 1.00 0.00 H new ATOM 0 HD3 PRO A 75 9.106 -7.652 -23.273 1.00 0.00 H new ATOM 1237 N PHE A 76 8.008 -2.229 -23.006 1.00 0.00 N ATOM 1238 CA PHE A 76 8.308 -1.025 -22.182 1.00 0.00 C ATOM 1239 C PHE A 76 7.169 -0.016 -22.346 1.00 0.00 C ATOM 1240 O PHE A 76 6.992 0.536 -23.422 1.00 0.00 O ATOM 1241 CB PHE A 76 9.625 -0.401 -22.651 1.00 0.00 C ATOM 1242 CG PHE A 76 10.475 -0.040 -21.455 1.00 0.00 C ATOM 1243 CD1 PHE A 76 10.789 -1.013 -20.500 1.00 0.00 C ATOM 1244 CD2 PHE A 76 10.952 1.268 -21.305 1.00 0.00 C ATOM 1245 CE1 PHE A 76 11.578 -0.679 -19.393 1.00 0.00 C ATOM 1246 CE2 PHE A 76 11.741 1.603 -20.198 1.00 0.00 C ATOM 1247 CZ PHE A 76 12.055 0.628 -19.243 1.00 0.00 C ATOM 0 H PHE A 76 7.624 -2.036 -23.931 1.00 0.00 H new ATOM 0 HA PHE A 76 8.401 -1.306 -21.133 1.00 0.00 H new ATOM 0 HB2 PHE A 76 10.161 -1.101 -23.292 1.00 0.00 H new ATOM 0 HB3 PHE A 76 9.424 0.489 -23.248 1.00 0.00 H new ATOM 0 HD1 PHE A 76 10.423 -2.022 -20.617 1.00 0.00 H new ATOM 0 HD2 PHE A 76 10.711 2.019 -22.043 1.00 0.00 H new ATOM 0 HE1 PHE A 76 11.819 -1.430 -18.655 1.00 0.00 H new ATOM 0 HE2 PHE A 76 12.107 2.612 -20.081 1.00 0.00 H new ATOM 0 HZ PHE A 76 12.666 0.885 -18.390 1.00 0.00 H new ATOM 1248 N TYR A 77 6.395 0.221 -21.297 1.00 0.00 N ATOM 1249 CA TYR A 77 5.250 1.185 -21.364 1.00 0.00 C ATOM 1250 C TYR A 77 4.105 0.601 -22.216 1.00 0.00 C ATOM 1251 O TYR A 77 3.167 0.022 -21.671 1.00 0.00 O ATOM 1252 CB TYR A 77 5.709 2.547 -21.905 1.00 0.00 C ATOM 1253 CG TYR A 77 6.539 3.231 -20.848 1.00 0.00 C ATOM 1254 CD1 TYR A 77 7.891 2.903 -20.698 1.00 0.00 C ATOM 1255 CD2 TYR A 77 5.954 4.188 -20.016 1.00 0.00 C ATOM 1256 CE1 TYR A 77 8.657 3.534 -19.714 1.00 0.00 C ATOM 1257 CE2 TYR A 77 6.719 4.821 -19.030 1.00 0.00 C ATOM 1258 CZ TYR A 77 8.071 4.493 -18.880 1.00 0.00 C ATOM 1259 OH TYR A 77 8.827 5.112 -17.908 1.00 0.00 O ATOM 0 H TYR A 77 6.518 -0.224 -20.387 1.00 0.00 H new ATOM 0 HA TYR A 77 4.873 1.344 -20.354 1.00 0.00 H new ATOM 0 HB2 TYR A 77 6.292 2.415 -22.817 1.00 0.00 H new ATOM 0 HB3 TYR A 77 4.847 3.161 -22.164 1.00 0.00 H new ATOM 0 HD1 TYR A 77 8.342 2.163 -21.342 1.00 0.00 H new ATOM 0 HD2 TYR A 77 4.910 4.440 -20.134 1.00 0.00 H new ATOM 0 HE1 TYR A 77 9.701 3.282 -19.597 1.00 0.00 H new ATOM 0 HE2 TYR A 77 6.267 5.561 -18.386 1.00 0.00 H new ATOM 0 HH TYR A 77 8.245 5.394 -17.172 1.00 0.00 H new ATOM 1260 N ASP A 78 4.143 0.729 -23.525 1.00 0.00 N ATOM 1261 CA ASP A 78 3.034 0.166 -24.355 1.00 0.00 C ATOM 1262 C ASP A 78 3.536 -0.140 -25.778 1.00 0.00 C ATOM 1263 O ASP A 78 2.888 0.214 -26.761 1.00 0.00 O ATOM 1264 CB ASP A 78 1.890 1.180 -24.424 1.00 0.00 C ATOM 1265 CG ASP A 78 0.612 0.477 -24.887 1.00 0.00 C ATOM 1266 OD1 ASP A 78 -0.009 -0.179 -24.067 1.00 0.00 O ATOM 1267 OD2 ASP A 78 0.278 0.606 -26.052 1.00 0.00 O ATOM 0 H ASP A 78 4.886 1.194 -24.046 1.00 0.00 H new ATOM 0 HA ASP A 78 2.682 -0.759 -23.899 1.00 0.00 H new ATOM 0 HB2 ASP A 78 1.734 1.635 -23.446 1.00 0.00 H new ATOM 0 HB3 ASP A 78 2.145 1.985 -25.113 1.00 0.00 H new ATOM 1268 N LYS A 79 4.672 -0.793 -25.914 1.00 0.00 N ATOM 1269 CA LYS A 79 5.186 -1.110 -27.288 1.00 0.00 C ATOM 1270 C LYS A 79 6.515 -1.886 -27.192 1.00 0.00 C ATOM 1271 O LYS A 79 7.214 -1.777 -26.189 1.00 0.00 O ATOM 1272 CB LYS A 79 5.412 0.196 -28.062 1.00 0.00 C ATOM 1273 CG LYS A 79 4.289 0.399 -29.088 1.00 0.00 C ATOM 1274 CD LYS A 79 4.876 0.931 -30.399 1.00 0.00 C ATOM 1275 CE LYS A 79 5.252 2.405 -30.231 1.00 0.00 C ATOM 1276 NZ LYS A 79 5.109 3.106 -31.539 1.00 0.00 N ATOM 0 H LYS A 79 5.257 -1.116 -25.143 1.00 0.00 H new ATOM 0 HA LYS A 79 4.452 -1.725 -27.809 1.00 0.00 H new ATOM 0 HB2 LYS A 79 5.440 1.038 -27.370 1.00 0.00 H new ATOM 0 HB3 LYS A 79 6.377 0.166 -28.568 1.00 0.00 H new ATOM 0 HG2 LYS A 79 3.772 -0.544 -29.266 1.00 0.00 H new ATOM 0 HG3 LYS A 79 3.550 1.099 -28.699 1.00 0.00 H new ATOM 0 HD2 LYS A 79 5.755 0.350 -30.678 1.00 0.00 H new ATOM 0 HD3 LYS A 79 4.151 0.820 -31.206 1.00 0.00 H new ATOM 0 HE2 LYS A 79 4.611 2.872 -29.484 1.00 0.00 H new ATOM 0 HE3 LYS A 79 6.277 2.491 -29.870 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 5.364 4.108 -31.426 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 5.739 2.665 -32.240 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 4.124 3.035 -31.865 1.00 0.00 H new ATOM 1277 N PRO A 80 6.848 -2.644 -28.222 1.00 0.00 N ATOM 1278 CA PRO A 80 8.097 -3.426 -28.238 1.00 0.00 C ATOM 1279 C PRO A 80 9.293 -2.504 -28.519 1.00 0.00 C ATOM 1280 O PRO A 80 9.193 -1.573 -29.318 1.00 0.00 O ATOM 1281 CB PRO A 80 7.889 -4.426 -29.379 1.00 0.00 C ATOM 1282 CG PRO A 80 6.810 -3.816 -30.304 1.00 0.00 C ATOM 1283 CD PRO A 80 6.032 -2.794 -29.454 1.00 0.00 C ATOM 0 HA PRO A 80 8.309 -3.920 -27.290 1.00 0.00 H new ATOM 0 HB2 PRO A 80 8.818 -4.592 -29.924 1.00 0.00 H new ATOM 0 HB3 PRO A 80 7.568 -5.394 -28.993 1.00 0.00 H new ATOM 0 HG2 PRO A 80 7.267 -3.334 -31.168 1.00 0.00 H new ATOM 0 HG3 PRO A 80 6.144 -4.590 -30.686 1.00 0.00 H new ATOM 0 HD2 PRO A 80 5.922 -1.844 -29.976 1.00 0.00 H new ATOM 0 HD3 PRO A 80 5.027 -3.150 -29.225 1.00 0.00 H new ATOM 1284 N MET A 81 10.421 -2.732 -27.881 1.00 0.00 N ATOM 1285 CA MET A 81 11.600 -1.852 -28.126 1.00 0.00 C ATOM 1286 C MET A 81 12.888 -2.688 -28.162 1.00 0.00 C ATOM 1287 O MET A 81 13.147 -3.497 -27.269 1.00 0.00 O ATOM 1288 CB MET A 81 11.700 -0.797 -27.017 1.00 0.00 C ATOM 1289 CG MET A 81 11.598 -1.462 -25.641 1.00 0.00 C ATOM 1290 SD MET A 81 12.485 -0.459 -24.422 1.00 0.00 S ATOM 1291 CE MET A 81 13.573 -1.765 -23.801 1.00 0.00 C ATOM 0 H MET A 81 10.570 -3.484 -27.208 1.00 0.00 H new ATOM 0 HA MET A 81 11.474 -1.355 -29.088 1.00 0.00 H new ATOM 0 HB2 MET A 81 12.645 -0.260 -27.100 1.00 0.00 H new ATOM 0 HB3 MET A 81 10.904 -0.061 -27.133 1.00 0.00 H new ATOM 0 HG2 MET A 81 10.552 -1.566 -25.351 1.00 0.00 H new ATOM 0 HG3 MET A 81 12.020 -2.466 -25.678 1.00 0.00 H new ATOM 0 HE1 MET A 81 14.221 -1.360 -23.024 1.00 0.00 H new ATOM 0 HE2 MET A 81 12.971 -2.574 -23.387 1.00 0.00 H new ATOM 0 HE3 MET A 81 14.184 -2.149 -24.618 1.00 0.00 H new ATOM 1292 N ARG A 82 13.712 -2.500 -29.173 1.00 0.00 N ATOM 1293 CA ARG A 82 14.985 -3.271 -29.254 1.00 0.00 C ATOM 1294 C ARG A 82 16.134 -2.373 -28.783 1.00 0.00 C ATOM 1295 O ARG A 82 16.072 -1.151 -28.925 1.00 0.00 O ATOM 1296 CB ARG A 82 15.236 -3.733 -30.697 1.00 0.00 C ATOM 1297 CG ARG A 82 15.338 -2.525 -31.638 1.00 0.00 C ATOM 1298 CD ARG A 82 16.115 -2.913 -32.901 1.00 0.00 C ATOM 1299 NE ARG A 82 15.341 -2.497 -34.105 1.00 0.00 N ATOM 1300 CZ ARG A 82 15.952 -1.931 -35.111 1.00 0.00 C ATOM 1301 NH1 ARG A 82 16.535 -0.774 -34.953 1.00 0.00 N ATOM 1302 NH2 ARG A 82 15.980 -2.524 -36.273 1.00 0.00 N ATOM 0 H ARG A 82 13.552 -1.846 -29.939 1.00 0.00 H new ATOM 0 HA ARG A 82 14.920 -4.154 -28.618 1.00 0.00 H new ATOM 0 HB2 ARG A 82 16.156 -4.316 -30.744 1.00 0.00 H new ATOM 0 HB3 ARG A 82 14.427 -4.387 -31.022 1.00 0.00 H new ATOM 0 HG2 ARG A 82 14.341 -2.177 -31.906 1.00 0.00 H new ATOM 0 HG3 ARG A 82 15.838 -1.700 -31.132 1.00 0.00 H new ATOM 0 HD2 ARG A 82 17.094 -2.434 -32.901 1.00 0.00 H new ATOM 0 HD3 ARG A 82 16.287 -3.989 -32.919 1.00 0.00 H new ATOM 0 HE ARG A 82 14.334 -2.654 -34.143 1.00 0.00 H new ATOM 0 HH11 ARG A 82 16.513 -0.312 -34.044 1.00 0.00 H new ATOM 0 HH12 ARG A 82 17.012 -0.332 -35.739 1.00 0.00 H new ATOM 0 HH21 ARG A 82 15.525 -3.429 -36.395 1.00 0.00 H new ATOM 0 HH22 ARG A 82 16.457 -2.083 -37.059 1.00 0.00 H new ATOM 1303 N ILE A 83 17.173 -2.937 -28.211 1.00 0.00 N ATOM 1304 CA ILE A 83 18.297 -2.086 -27.726 1.00 0.00 C ATOM 1305 C ILE A 83 19.527 -2.250 -28.631 1.00 0.00 C ATOM 1306 O ILE A 83 19.893 -3.360 -29.015 1.00 0.00 O ATOM 1307 CB ILE A 83 18.657 -2.486 -26.296 1.00 0.00 C ATOM 1308 CG1 ILE A 83 17.408 -2.382 -25.418 1.00 0.00 C ATOM 1309 CG2 ILE A 83 19.740 -1.547 -25.757 1.00 0.00 C ATOM 1310 CD1 ILE A 83 17.725 -2.899 -24.016 1.00 0.00 C ATOM 0 H ILE A 83 17.287 -3.940 -28.062 1.00 0.00 H new ATOM 0 HA ILE A 83 17.983 -1.042 -27.750 1.00 0.00 H new ATOM 0 HB ILE A 83 19.031 -3.510 -26.285 1.00 0.00 H new ATOM 0 HG12 ILE A 83 17.071 -1.347 -25.368 1.00 0.00 H new ATOM 0 HG13 ILE A 83 16.594 -2.961 -25.855 1.00 0.00 H new ATOM 0 HG21 ILE A 83 19.995 -1.834 -24.737 1.00 0.00 H new ATOM 0 HG22 ILE A 83 20.627 -1.616 -26.386 1.00 0.00 H new ATOM 0 HG23 ILE A 83 19.369 -0.522 -25.764 1.00 0.00 H new ATOM 0 HD11 ILE A 83 16.835 -2.825 -23.391 1.00 0.00 H new ATOM 0 HD12 ILE A 83 18.041 -3.941 -24.075 1.00 0.00 H new ATOM 0 HD13 ILE A 83 18.525 -2.301 -23.580 1.00 0.00 H new ATOM 1311 N GLN A 84 20.186 -1.162 -28.964 1.00 0.00 N ATOM 1312 CA GLN A 84 21.401 -1.245 -29.820 1.00 0.00 C ATOM 1313 C GLN A 84 22.511 -0.441 -29.136 1.00 0.00 C ATOM 1314 O GLN A 84 22.245 0.614 -28.569 1.00 0.00 O ATOM 1315 CB GLN A 84 21.117 -0.637 -31.199 1.00 0.00 C ATOM 1316 CG GLN A 84 19.837 -1.235 -31.793 1.00 0.00 C ATOM 1317 CD GLN A 84 19.080 -0.149 -32.572 1.00 0.00 C ATOM 1318 OE1 GLN A 84 18.803 -0.315 -33.757 1.00 0.00 O ATOM 1319 NE2 GLN A 84 18.726 0.962 -31.971 1.00 0.00 N ATOM 0 H GLN A 84 19.928 -0.219 -28.675 1.00 0.00 H new ATOM 0 HA GLN A 84 21.696 -2.286 -29.950 1.00 0.00 H new ATOM 0 HB2 GLN A 84 21.015 0.445 -31.112 1.00 0.00 H new ATOM 0 HB3 GLN A 84 21.958 -0.825 -31.867 1.00 0.00 H new ATOM 0 HG2 GLN A 84 20.083 -2.067 -32.453 1.00 0.00 H new ATOM 0 HG3 GLN A 84 19.207 -1.635 -30.999 1.00 0.00 H new ATOM 0 HE21 GLN A 84 18.954 1.104 -30.987 1.00 0.00 H new ATOM 0 HE22 GLN A 84 18.223 1.683 -32.488 1.00 0.00 H new ATOM 1320 N TYR A 85 23.743 -0.905 -29.157 1.00 0.00 N ATOM 1321 CA TYR A 85 24.840 -0.128 -28.478 1.00 0.00 C ATOM 1322 C TYR A 85 24.811 1.338 -28.947 1.00 0.00 C ATOM 1323 O TYR A 85 24.395 1.631 -30.067 1.00 0.00 O ATOM 1324 CB TYR A 85 26.215 -0.725 -28.814 1.00 0.00 C ATOM 1325 CG TYR A 85 26.605 -1.783 -27.801 1.00 0.00 C ATOM 1326 CD1 TYR A 85 26.442 -1.559 -26.421 1.00 0.00 C ATOM 1327 CD2 TYR A 85 27.148 -2.993 -28.248 1.00 0.00 C ATOM 1328 CE1 TYR A 85 26.822 -2.543 -25.503 1.00 0.00 C ATOM 1329 CE2 TYR A 85 27.525 -3.977 -27.328 1.00 0.00 C ATOM 1330 CZ TYR A 85 27.363 -3.753 -25.957 1.00 0.00 C ATOM 1331 OH TYR A 85 27.743 -4.723 -25.055 1.00 0.00 O ATOM 0 H TYR A 85 24.035 -1.773 -29.606 1.00 0.00 H new ATOM 0 HA TYR A 85 24.677 -0.181 -27.402 1.00 0.00 H new ATOM 0 HB2 TYR A 85 26.193 -1.162 -29.812 1.00 0.00 H new ATOM 0 HB3 TYR A 85 26.966 0.065 -28.829 1.00 0.00 H new ATOM 0 HD1 TYR A 85 26.023 -0.627 -26.071 1.00 0.00 H new ATOM 0 HD2 TYR A 85 27.276 -3.167 -29.306 1.00 0.00 H new ATOM 0 HE1 TYR A 85 26.698 -2.370 -24.444 1.00 0.00 H new ATOM 0 HE2 TYR A 85 27.942 -4.910 -27.677 1.00 0.00 H new ATOM 0 HH TYR A 85 28.583 -5.133 -25.350 1.00 0.00 H new ATOM 1332 N ALA A 86 25.244 2.265 -28.119 1.00 0.00 N ATOM 1333 CA ALA A 86 25.230 3.702 -28.543 1.00 0.00 C ATOM 1334 C ALA A 86 26.289 3.917 -29.632 1.00 0.00 C ATOM 1335 O ALA A 86 27.008 2.990 -30.001 1.00 0.00 O ATOM 1336 CB ALA A 86 25.536 4.618 -27.350 1.00 0.00 C ATOM 0 H ALA A 86 25.602 2.090 -27.180 1.00 0.00 H new ATOM 0 HA ALA A 86 24.240 3.947 -28.929 1.00 0.00 H new ATOM 0 HB1 ALA A 86 25.522 5.658 -27.677 1.00 0.00 H new ATOM 0 HB2 ALA A 86 24.783 4.470 -26.576 1.00 0.00 H new ATOM 0 HB3 ALA A 86 26.521 4.377 -26.949 1.00 0.00 H new ATOM 1337 N LYS A 87 26.404 5.116 -30.160 1.00 0.00 N ATOM 1338 CA LYS A 87 27.420 5.365 -31.223 1.00 0.00 C ATOM 1339 C LYS A 87 28.705 5.902 -30.576 1.00 0.00 C ATOM 1340 O LYS A 87 29.807 5.474 -30.913 1.00 0.00 O ATOM 1341 CB LYS A 87 26.890 6.395 -32.234 1.00 0.00 C ATOM 1342 CG LYS A 87 25.452 6.043 -32.653 1.00 0.00 C ATOM 1343 CD LYS A 87 25.414 5.659 -34.135 1.00 0.00 C ATOM 1344 CE LYS A 87 25.583 6.911 -34.999 1.00 0.00 C ATOM 1345 NZ LYS A 87 26.460 6.594 -36.163 1.00 0.00 N ATOM 0 H LYS A 87 25.840 5.925 -29.899 1.00 0.00 H new ATOM 0 HA LYS A 87 27.627 4.431 -31.745 1.00 0.00 H new ATOM 0 HB2 LYS A 87 26.914 7.392 -31.794 1.00 0.00 H new ATOM 0 HB3 LYS A 87 27.536 6.419 -33.112 1.00 0.00 H new ATOM 0 HG2 LYS A 87 25.080 5.218 -32.046 1.00 0.00 H new ATOM 0 HG3 LYS A 87 24.794 6.893 -32.473 1.00 0.00 H new ATOM 0 HD2 LYS A 87 26.207 4.944 -34.355 1.00 0.00 H new ATOM 0 HD3 LYS A 87 24.469 5.169 -34.369 1.00 0.00 H new ATOM 0 HE2 LYS A 87 24.611 7.261 -35.346 1.00 0.00 H new ATOM 0 HE3 LYS A 87 26.020 7.717 -34.409 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 26.576 7.443 -36.752 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 27.391 6.280 -35.821 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 26.026 5.837 -36.729 1.00 0.00 H new ATOM 1346 N THR A 88 28.590 6.832 -29.651 1.00 0.00 N ATOM 1347 CA THR A 88 29.805 7.383 -28.994 1.00 0.00 C ATOM 1348 C THR A 88 29.744 7.108 -27.485 1.00 0.00 C ATOM 1349 O THR A 88 28.784 6.515 -26.992 1.00 0.00 O ATOM 1350 CB THR A 88 29.873 8.893 -29.237 1.00 0.00 C ATOM 1351 OG1 THR A 88 28.605 9.472 -28.962 1.00 0.00 O ATOM 1352 CG2 THR A 88 30.251 9.155 -30.693 1.00 0.00 C ATOM 0 H THR A 88 27.706 7.227 -29.329 1.00 0.00 H new ATOM 0 HA THR A 88 30.692 6.906 -29.412 1.00 0.00 H new ATOM 0 HB THR A 88 30.623 9.336 -28.582 1.00 0.00 H new ATOM 0 HG1 THR A 88 28.647 10.439 -29.115 1.00 0.00 H new ATOM 0 HG21 THR A 88 30.300 10.230 -30.868 1.00 0.00 H new ATOM 0 HG22 THR A 88 31.223 8.708 -30.903 1.00 0.00 H new ATOM 0 HG23 THR A 88 29.500 8.714 -31.349 1.00 0.00 H new ATOM 1353 N ASP A 89 30.741 7.526 -26.735 1.00 0.00 N ATOM 1354 CA ASP A 89 30.716 7.280 -25.262 1.00 0.00 C ATOM 1355 C ASP A 89 30.134 8.510 -24.551 1.00 0.00 C ATOM 1356 O ASP A 89 29.704 9.463 -25.196 1.00 0.00 O ATOM 1357 CB ASP A 89 32.139 7.022 -24.756 1.00 0.00 C ATOM 1358 CG ASP A 89 32.795 5.936 -25.610 1.00 0.00 C ATOM 1359 OD1 ASP A 89 32.236 4.853 -25.686 1.00 0.00 O ATOM 1360 OD2 ASP A 89 33.844 6.203 -26.173 1.00 0.00 O ATOM 0 H ASP A 89 31.563 8.022 -27.080 1.00 0.00 H new ATOM 0 HA ASP A 89 30.097 6.408 -25.051 1.00 0.00 H new ATOM 0 HB2 ASP A 89 32.725 7.940 -24.803 1.00 0.00 H new ATOM 0 HB3 ASP A 89 32.114 6.713 -23.711 1.00 0.00 H new ATOM 1361 N SER A 90 30.105 8.512 -23.234 1.00 0.00 N ATOM 1362 CA SER A 90 29.543 9.687 -22.507 1.00 0.00 C ATOM 1363 C SER A 90 30.689 10.536 -21.935 1.00 0.00 C ATOM 1364 O SER A 90 31.838 10.096 -21.892 1.00 0.00 O ATOM 1365 CB SER A 90 28.650 9.201 -21.366 1.00 0.00 C ATOM 1366 OG SER A 90 28.272 10.311 -20.562 1.00 0.00 O ATOM 0 H SER A 90 30.445 7.754 -22.641 1.00 0.00 H new ATOM 0 HA SER A 90 28.955 10.292 -23.197 1.00 0.00 H new ATOM 0 HB2 SER A 90 27.764 8.708 -21.766 1.00 0.00 H new ATOM 0 HB3 SER A 90 29.180 8.464 -20.763 1.00 0.00 H new ATOM 0 HG SER A 90 27.536 10.792 -20.994 1.00 0.00 H new ATOM 1367 N ASP A 91 30.408 11.745 -21.495 1.00 0.00 N ATOM 1368 CA ASP A 91 31.487 12.603 -20.937 1.00 0.00 C ATOM 1369 C ASP A 91 31.528 12.507 -19.404 1.00 0.00 C ATOM 1370 O ASP A 91 32.574 12.748 -18.804 1.00 0.00 O ATOM 1371 CB ASP A 91 31.264 14.060 -21.354 1.00 0.00 C ATOM 1372 CG ASP A 91 32.447 14.911 -20.890 1.00 0.00 C ATOM 1373 OD1 ASP A 91 32.392 15.410 -19.778 1.00 0.00 O ATOM 1374 OD2 ASP A 91 33.389 15.049 -21.654 1.00 0.00 O ATOM 0 H ASP A 91 29.479 12.165 -21.502 1.00 0.00 H new ATOM 0 HA ASP A 91 32.440 12.251 -21.332 1.00 0.00 H new ATOM 0 HB2 ASP A 91 31.157 14.127 -22.437 1.00 0.00 H new ATOM 0 HB3 ASP A 91 30.339 14.436 -20.918 1.00 0.00 H new ATOM 1375 N ILE A 92 30.442 12.155 -18.741 1.00 0.00 N ATOM 1376 CA ILE A 92 30.510 12.045 -17.253 1.00 0.00 C ATOM 1377 C ILE A 92 31.608 11.026 -16.864 1.00 0.00 C ATOM 1378 O ILE A 92 32.195 11.132 -15.788 1.00 0.00 O ATOM 1379 CB ILE A 92 29.152 11.625 -16.664 1.00 0.00 C ATOM 1380 CG1 ILE A 92 28.622 10.365 -17.370 1.00 0.00 C ATOM 1381 CG2 ILE A 92 28.154 12.772 -16.840 1.00 0.00 C ATOM 1382 CD1 ILE A 92 28.425 9.242 -16.345 1.00 0.00 C ATOM 0 H ILE A 92 29.536 11.945 -19.160 1.00 0.00 H new ATOM 0 HA ILE A 92 30.759 13.023 -16.840 1.00 0.00 H new ATOM 0 HB ILE A 92 29.278 11.400 -15.605 1.00 0.00 H new ATOM 0 HG12 ILE A 92 27.678 10.586 -17.868 1.00 0.00 H new ATOM 0 HG13 ILE A 92 29.323 10.047 -18.142 1.00 0.00 H new ATOM 0 HG21 ILE A 92 27.189 12.482 -16.425 1.00 0.00 H new ATOM 0 HG22 ILE A 92 28.521 13.657 -16.320 1.00 0.00 H new ATOM 0 HG23 ILE A 92 28.040 12.996 -17.901 1.00 0.00 H new ATOM 0 HD11 ILE A 92 28.050 8.351 -16.849 1.00 0.00 H new ATOM 0 HD12 ILE A 92 29.378 9.014 -15.867 1.00 0.00 H new ATOM 0 HD13 ILE A 92 27.707 9.561 -15.589 1.00 0.00 H new ATOM 1383 N ILE A 93 31.941 10.067 -17.724 1.00 0.00 N ATOM 1384 CA ILE A 93 33.043 9.112 -17.365 1.00 0.00 C ATOM 1385 C ILE A 93 34.351 9.912 -17.362 1.00 0.00 C ATOM 1386 O ILE A 93 35.177 9.780 -16.464 1.00 0.00 O ATOM 1387 CB ILE A 93 33.196 7.959 -18.388 1.00 0.00 C ATOM 1388 CG1 ILE A 93 31.860 7.516 -19.025 1.00 0.00 C ATOM 1389 CG2 ILE A 93 33.820 6.755 -17.681 1.00 0.00 C ATOM 1390 CD1 ILE A 93 30.742 7.459 -17.986 1.00 0.00 C ATOM 0 H ILE A 93 31.504 9.914 -18.633 1.00 0.00 H new ATOM 0 HA ILE A 93 32.808 8.667 -16.398 1.00 0.00 H new ATOM 0 HB ILE A 93 33.827 8.333 -19.194 1.00 0.00 H new ATOM 0 HG12 ILE A 93 31.586 8.210 -19.820 1.00 0.00 H new ATOM 0 HG13 ILE A 93 31.982 6.536 -19.486 1.00 0.00 H new ATOM 0 HG21 ILE A 93 33.933 5.935 -18.390 1.00 0.00 H new ATOM 0 HG22 ILE A 93 34.798 7.031 -17.286 1.00 0.00 H new ATOM 0 HG23 ILE A 93 33.174 6.439 -16.862 1.00 0.00 H new ATOM 0 HD11 ILE A 93 29.815 7.144 -18.466 1.00 0.00 H new ATOM 0 HD12 ILE A 93 31.007 6.746 -17.205 1.00 0.00 H new ATOM 0 HD13 ILE A 93 30.605 8.446 -17.545 1.00 0.00 H new