USER MOD reduce.3.24.130724 H: found=0, std=0, add=736, rem=0, adj=21 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 -60:sc= 0.31 USER MOD Set 1.2: A 85 TYR OH : rot 107:sc= -5.28! USER MOD Set 2.1: A 28 SER OG : rot 180:sc= 0.022 USER MOD Set 2.2: A 77 TYR OH : rot -70:sc= -3.74! USER MOD Set 3.1: A 12 TYR OH : rot -140:sc= -1.47! USER MOD Set 3.2: A 14 ASN : amide:sc= 0.118 K(o=-9.1,f=-15!) USER MOD Set 3.3: A 50 MET CE :methyl -112:sc= -3.38 (180deg=-0.576) USER MOD Set 3.4: A 53 GLN : amide:sc= -4.37 K(o=-9.1,f=-14!) USER MOD Set 4.1: A 10 THR OG1 : rot 70:sc= -0.811! USER MOD Set 4.2: A 90 SER OG : rot 92:sc= -2.23! USER MOD Single : A 8 ASN : amide:sc= -0.884 K(o=-0.88,f=-6.7!) USER MOD Single : A 9 HIS : no HE2:sc= -9.24 K(o=-9.2,f=-19!) USER MOD Single : A 15 ASN : amide:sc= -0.0196 K(o=-0.02,f=-1.1) USER MOD Single : A 17 ASN : amide:sc= -0.9 K(o=-0.9,f=-3.1!) USER MOD Single : A 19 LYS NZ :NH3+ -120:sc= 0.193 (180deg=-0.924) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 LYS NZ :NH3+ -157:sc= 0.0885 (180deg=0.00698) 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 :FLIP no HD1:sc= -3.08! C(o=-4.8!,f=-3.1!) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 38 GLN : amide:sc= -0.153 X(o=-0.15,f=0) USER MOD Single : A 45 SER OG : rot 172:sc= 0.062 USER MOD Single : A 47 SER OG : rot 180:sc= 0.0411 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 63 SER OG : rot 180:sc= 0.037 USER MOD Single : A 66 ASN : amide:sc= -0.327 X(o=-0.33,f=-0.023) USER MOD Single : A 70 SER OG : rot 94:sc= 0.0107 USER MOD Single : A 71 MET CE :methyl -150:sc= -0.212 (180deg=-1.19) USER MOD Single : A 72 GLN : amide:sc= -0.0632 X(o=-0.063,f=0) USER MOD Single : A 79 LYS NZ :NH3+ -151:sc= -0.108 (180deg=-0.612) USER MOD Single : A 81 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 84 GLN : amide:sc= 0 K(o=0,f=-1.3!) 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 ----------------------------------------------------------------- ATOM 682 N PRO A 7 30.663 -2.745 -27.938 1.00 0.00 N ATOM 683 CA PRO A 7 30.087 -2.451 -26.613 1.00 0.00 C ATOM 684 C PRO A 7 30.568 -1.083 -26.109 1.00 0.00 C ATOM 685 O PRO A 7 31.742 -0.909 -25.782 1.00 0.00 O ATOM 686 CB PRO A 7 30.616 -3.579 -25.725 1.00 0.00 C ATOM 687 CG PRO A 7 31.890 -4.119 -26.415 1.00 0.00 C ATOM 688 CD PRO A 7 31.796 -3.705 -27.894 1.00 0.00 C ATOM 0 HA PRO A 7 28.998 -2.404 -26.623 1.00 0.00 H new ATOM 0 HB2 PRO A 7 30.843 -3.211 -24.724 1.00 0.00 H new ATOM 0 HB3 PRO A 7 29.871 -4.367 -25.614 1.00 0.00 H new ATOM 0 HG2 PRO A 7 32.786 -3.705 -25.953 1.00 0.00 H new ATOM 0 HG3 PRO A 7 31.953 -5.203 -26.319 1.00 0.00 H new ATOM 0 HD2 PRO A 7 32.722 -3.243 -28.237 1.00 0.00 H new ATOM 0 HD3 PRO A 7 31.612 -4.566 -28.537 1.00 0.00 H new ATOM 689 N ASN A 8 29.690 -0.106 -26.038 1.00 0.00 N ATOM 690 CA ASN A 8 30.112 1.237 -25.553 1.00 0.00 C ATOM 691 C ASN A 8 29.664 1.417 -24.095 1.00 0.00 C ATOM 692 O ASN A 8 28.724 0.765 -23.641 1.00 0.00 O ATOM 693 CB ASN A 8 29.467 2.319 -26.422 1.00 0.00 C ATOM 694 CG ASN A 8 29.895 2.126 -27.882 1.00 0.00 C ATOM 695 OD1 ASN A 8 30.175 1.006 -28.305 1.00 0.00 O ATOM 696 ND2 ASN A 8 29.963 3.158 -28.687 1.00 0.00 N ATOM 0 H ASN A 8 28.706 -0.186 -26.295 1.00 0.00 H new ATOM 0 HA ASN A 8 31.197 1.322 -25.614 1.00 0.00 H new ATOM 0 HB2 ASN A 8 28.381 2.267 -26.340 1.00 0.00 H new ATOM 0 HB3 ASN A 8 29.766 3.307 -26.072 1.00 0.00 H new ATOM 0 HD21 ASN A 8 30.247 3.029 -29.658 1.00 0.00 H new ATOM 0 HD22 ASN A 8 29.732 4.090 -28.342 1.00 0.00 H new ATOM 697 N HIS A 9 30.311 2.284 -23.348 1.00 0.00 N ATOM 698 CA HIS A 9 29.904 2.487 -21.917 1.00 0.00 C ATOM 699 C HIS A 9 28.412 2.855 -21.847 1.00 0.00 C ATOM 700 O HIS A 9 27.701 2.426 -20.939 1.00 0.00 O ATOM 701 CB HIS A 9 30.730 3.620 -21.287 1.00 0.00 C ATOM 702 CG HIS A 9 31.082 3.265 -19.867 1.00 0.00 C ATOM 703 ND1 HIS A 9 32.389 3.050 -19.461 1.00 0.00 N ATOM 704 CD2 HIS A 9 30.308 3.085 -18.748 1.00 0.00 C ATOM 705 CE1 HIS A 9 32.363 2.754 -18.149 1.00 0.00 C ATOM 706 NE2 HIS A 9 31.118 2.762 -17.664 1.00 0.00 N ATOM 0 H HIS A 9 31.096 2.855 -23.663 1.00 0.00 H new ATOM 0 HA HIS A 9 30.082 1.561 -21.369 1.00 0.00 H new ATOM 0 HB2 HIS A 9 31.638 3.786 -21.866 1.00 0.00 H new ATOM 0 HB3 HIS A 9 30.164 4.551 -21.309 1.00 0.00 H new ATOM 0 HD1 HIS A 9 33.220 3.106 -20.050 1.00 0.00 H new ATOM 0 HD2 HIS A 9 29.233 3.180 -18.714 1.00 0.00 H new ATOM 0 HE1 HIS A 9 33.241 2.536 -17.560 1.00 0.00 H new ATOM 707 N THR A 10 27.920 3.648 -22.775 1.00 0.00 N ATOM 708 CA THR A 10 26.480 4.037 -22.738 1.00 0.00 C ATOM 709 C THR A 10 25.711 3.297 -23.846 1.00 0.00 C ATOM 710 O THR A 10 26.209 3.142 -24.961 1.00 0.00 O ATOM 711 CB THR A 10 26.371 5.555 -22.958 1.00 0.00 C ATOM 712 OG1 THR A 10 26.955 6.231 -21.854 1.00 0.00 O ATOM 713 CG2 THR A 10 24.899 5.977 -23.094 1.00 0.00 C ATOM 0 H THR A 10 28.455 4.038 -23.551 1.00 0.00 H new ATOM 0 HA THR A 10 26.051 3.770 -21.772 1.00 0.00 H new ATOM 0 HB THR A 10 26.896 5.816 -23.877 1.00 0.00 H new ATOM 0 HG1 THR A 10 27.927 6.104 -21.870 1.00 0.00 H new ATOM 0 HG21 THR A 10 24.842 7.054 -23.249 1.00 0.00 H new ATOM 0 HG22 THR A 10 24.450 5.464 -23.945 1.00 0.00 H new ATOM 0 HG23 THR A 10 24.359 5.712 -22.185 1.00 0.00 H new ATOM 714 N ILE A 11 24.501 2.854 -23.573 1.00 0.00 N ATOM 715 CA ILE A 11 23.718 2.156 -24.627 1.00 0.00 C ATOM 716 C ILE A 11 22.581 3.075 -25.109 1.00 0.00 C ATOM 717 O ILE A 11 22.024 3.855 -24.335 1.00 0.00 O ATOM 718 CB ILE A 11 23.143 0.843 -24.080 1.00 0.00 C ATOM 719 CG1 ILE A 11 22.172 1.120 -22.927 1.00 0.00 C ATOM 720 CG2 ILE A 11 24.285 -0.031 -23.565 1.00 0.00 C ATOM 721 CD1 ILE A 11 21.170 -0.033 -22.813 1.00 0.00 C ATOM 0 H ILE A 11 24.033 2.949 -22.672 1.00 0.00 H new ATOM 0 HA ILE A 11 24.373 1.921 -25.466 1.00 0.00 H new ATOM 0 HB ILE A 11 22.608 0.335 -24.882 1.00 0.00 H new ATOM 0 HG12 ILE A 11 22.723 1.231 -21.993 1.00 0.00 H new ATOM 0 HG13 ILE A 11 21.645 2.058 -23.099 1.00 0.00 H new ATOM 0 HG21 ILE A 11 23.881 -0.965 -23.175 1.00 0.00 H new ATOM 0 HG22 ILE A 11 24.975 -0.246 -24.381 1.00 0.00 H new ATOM 0 HG23 ILE A 11 24.815 0.494 -22.771 1.00 0.00 H new ATOM 0 HD11 ILE A 11 20.480 0.165 -21.993 1.00 0.00 H new ATOM 0 HD12 ILE A 11 20.611 -0.123 -23.744 1.00 0.00 H new ATOM 0 HD13 ILE A 11 21.705 -0.963 -22.621 1.00 0.00 H new ATOM 722 N TYR A 12 22.234 3.005 -26.372 1.00 0.00 N ATOM 723 CA TYR A 12 21.145 3.872 -26.909 1.00 0.00 C ATOM 724 C TYR A 12 19.871 3.028 -27.113 1.00 0.00 C ATOM 725 O TYR A 12 19.890 2.018 -27.816 1.00 0.00 O ATOM 726 CB TYR A 12 21.610 4.463 -28.251 1.00 0.00 C ATOM 727 CG TYR A 12 20.478 5.199 -28.939 1.00 0.00 C ATOM 728 CD1 TYR A 12 19.889 6.314 -28.330 1.00 0.00 C ATOM 729 CD2 TYR A 12 20.022 4.763 -30.189 1.00 0.00 C ATOM 730 CE1 TYR A 12 18.845 6.993 -28.973 1.00 0.00 C ATOM 731 CE2 TYR A 12 18.980 5.441 -30.832 1.00 0.00 C ATOM 732 CZ TYR A 12 18.391 6.557 -30.225 1.00 0.00 C ATOM 733 OH TYR A 12 17.362 7.226 -30.859 1.00 0.00 O ATOM 0 H TYR A 12 22.662 2.380 -27.055 1.00 0.00 H new ATOM 0 HA TYR A 12 20.922 4.678 -26.210 1.00 0.00 H new ATOM 0 HB2 TYR A 12 22.444 5.145 -28.083 1.00 0.00 H new ATOM 0 HB3 TYR A 12 21.976 3.665 -28.897 1.00 0.00 H new ATOM 0 HD1 TYR A 12 20.239 6.651 -27.365 1.00 0.00 H new ATOM 0 HD2 TYR A 12 20.475 3.902 -30.658 1.00 0.00 H new ATOM 0 HE1 TYR A 12 18.390 7.853 -28.503 1.00 0.00 H new ATOM 0 HE2 TYR A 12 18.630 5.103 -31.796 1.00 0.00 H new ATOM 0 HH TYR A 12 16.762 6.577 -31.283 1.00 0.00 H new ATOM 734 N ILE A 13 18.761 3.424 -26.523 1.00 0.00 N ATOM 735 CA ILE A 13 17.503 2.644 -26.701 1.00 0.00 C ATOM 736 C ILE A 13 16.611 3.357 -27.727 1.00 0.00 C ATOM 737 O ILE A 13 16.695 4.574 -27.894 1.00 0.00 O ATOM 738 CB ILE A 13 16.760 2.554 -25.365 1.00 0.00 C ATOM 739 CG1 ILE A 13 17.693 1.975 -24.292 1.00 0.00 C ATOM 740 CG2 ILE A 13 15.537 1.649 -25.523 1.00 0.00 C ATOM 741 CD1 ILE A 13 17.492 2.733 -22.979 1.00 0.00 C ATOM 0 H ILE A 13 18.680 4.250 -25.930 1.00 0.00 H new ATOM 0 HA ILE A 13 17.743 1.640 -27.051 1.00 0.00 H new ATOM 0 HB ILE A 13 16.439 3.551 -25.062 1.00 0.00 H new ATOM 0 HG12 ILE A 13 17.485 0.915 -24.148 1.00 0.00 H new ATOM 0 HG13 ILE A 13 18.731 2.055 -24.615 1.00 0.00 H new ATOM 0 HG21 ILE A 13 15.007 1.584 -24.573 1.00 0.00 H new ATOM 0 HG22 ILE A 13 14.873 2.064 -26.281 1.00 0.00 H new ATOM 0 HG23 ILE A 13 15.858 0.653 -25.828 1.00 0.00 H new ATOM 0 HD11 ILE A 13 18.154 2.322 -22.217 1.00 0.00 H new ATOM 0 HD12 ILE A 13 17.722 3.788 -23.129 1.00 0.00 H new ATOM 0 HD13 ILE A 13 16.457 2.630 -22.654 1.00 0.00 H new ATOM 742 N ASN A 14 15.756 2.636 -28.421 1.00 0.00 N ATOM 743 CA ASN A 14 14.875 3.295 -29.429 1.00 0.00 C ATOM 744 C ASN A 14 13.479 2.652 -29.392 1.00 0.00 C ATOM 745 O ASN A 14 13.259 1.667 -28.690 1.00 0.00 O ATOM 746 CB ASN A 14 15.481 3.120 -30.823 1.00 0.00 C ATOM 747 CG ASN A 14 15.139 4.339 -31.689 1.00 0.00 C ATOM 748 OD1 ASN A 14 15.444 5.471 -31.317 1.00 0.00 O ATOM 749 ND2 ASN A 14 14.519 4.175 -32.832 1.00 0.00 N ATOM 0 H ASN A 14 15.635 1.627 -28.330 1.00 0.00 H new ATOM 0 HA ASN A 14 14.789 4.357 -29.199 1.00 0.00 H new ATOM 0 HB2 ASN A 14 16.562 3.006 -30.749 1.00 0.00 H new ATOM 0 HB3 ASN A 14 15.096 2.212 -31.287 1.00 0.00 H new ATOM 0 HD21 ASN A 14 14.291 4.984 -33.409 1.00 0.00 H new ATOM 0 HD22 ASN A 14 14.264 3.238 -33.144 1.00 0.00 H new ATOM 750 N ASN A 15 12.528 3.186 -30.131 1.00 0.00 N ATOM 751 CA ASN A 15 11.158 2.594 -30.126 1.00 0.00 C ATOM 752 C ASN A 15 10.585 2.641 -28.701 1.00 0.00 C ATOM 753 O ASN A 15 10.237 1.611 -28.127 1.00 0.00 O ATOM 754 CB ASN A 15 11.226 1.142 -30.608 1.00 0.00 C ATOM 755 CG ASN A 15 9.924 0.782 -31.333 1.00 0.00 C ATOM 756 OD1 ASN A 15 8.875 1.357 -31.050 1.00 0.00 O ATOM 757 ND2 ASN A 15 9.928 -0.143 -32.263 1.00 0.00 N ATOM 0 H ASN A 15 12.646 4.002 -30.732 1.00 0.00 H new ATOM 0 HA ASN A 15 10.512 3.165 -30.793 1.00 0.00 H new ATOM 0 HB2 ASN A 15 12.076 1.009 -31.277 1.00 0.00 H new ATOM 0 HB3 ASN A 15 11.380 0.473 -29.761 1.00 0.00 H new ATOM 0 HD21 ASN A 15 9.063 -0.382 -32.748 1.00 0.00 H new ATOM 0 HD22 ASN A 15 10.796 -0.623 -32.501 1.00 0.00 H new ATOM 758 N LEU A 16 10.477 3.815 -28.113 1.00 0.00 N ATOM 759 CA LEU A 16 9.925 3.903 -26.730 1.00 0.00 C ATOM 760 C LEU A 16 8.585 4.657 -26.755 1.00 0.00 C ATOM 761 O LEU A 16 8.350 5.544 -25.937 1.00 0.00 O ATOM 762 CB LEU A 16 10.916 4.651 -25.834 1.00 0.00 C ATOM 763 CG LEU A 16 12.275 3.951 -25.882 1.00 0.00 C ATOM 764 CD1 LEU A 16 13.312 4.798 -25.142 1.00 0.00 C ATOM 765 CD2 LEU A 16 12.165 2.580 -25.211 1.00 0.00 C ATOM 0 H LEU A 16 10.747 4.705 -28.532 1.00 0.00 H new ATOM 0 HA LEU A 16 9.766 2.898 -26.339 1.00 0.00 H new ATOM 0 HB2 LEU A 16 11.015 5.684 -26.167 1.00 0.00 H new ATOM 0 HB3 LEU A 16 10.546 4.680 -24.809 1.00 0.00 H new ATOM 0 HG LEU A 16 12.583 3.825 -26.920 1.00 0.00 H new ATOM 0 HD11 LEU A 16 14.281 4.299 -25.176 1.00 0.00 H new ATOM 0 HD12 LEU A 16 13.390 5.775 -25.618 1.00 0.00 H new ATOM 0 HD13 LEU A 16 13.005 4.924 -24.104 1.00 0.00 H new ATOM 0 HD21 LEU A 16 13.133 2.080 -25.244 1.00 0.00 H new ATOM 0 HD22 LEU A 16 11.858 2.707 -24.173 1.00 0.00 H new ATOM 0 HD23 LEU A 16 11.426 1.976 -25.737 1.00 0.00 H new ATOM 766 N ASN A 17 7.691 4.307 -27.658 1.00 0.00 N ATOM 767 CA ASN A 17 6.370 4.989 -27.713 1.00 0.00 C ATOM 768 C ASN A 17 6.544 6.507 -27.864 1.00 0.00 C ATOM 769 O ASN A 17 7.625 7.051 -27.650 1.00 0.00 O ATOM 770 CB ASN A 17 5.626 4.663 -26.430 1.00 0.00 C ATOM 771 CG ASN A 17 4.125 4.500 -26.718 1.00 0.00 C ATOM 772 OD1 ASN A 17 3.690 4.629 -27.861 1.00 0.00 O ATOM 773 ND2 ASN A 17 3.300 4.223 -25.739 1.00 0.00 N ATOM 0 H ASN A 17 7.828 3.576 -28.356 1.00 0.00 H new ATOM 0 HA ASN A 17 5.806 4.641 -28.578 1.00 0.00 H new ATOM 0 HB2 ASN A 17 6.022 3.746 -25.993 1.00 0.00 H new ATOM 0 HB3 ASN A 17 5.780 5.457 -25.699 1.00 0.00 H new ATOM 0 HD21 ASN A 17 2.303 4.116 -25.927 1.00 0.00 H new ATOM 0 HD22 ASN A 17 3.654 4.115 -24.789 1.00 0.00 H new ATOM 774 N GLU A 18 5.498 7.204 -28.247 1.00 0.00 N ATOM 775 CA GLU A 18 5.610 8.681 -28.423 1.00 0.00 C ATOM 776 C GLU A 18 4.567 9.394 -27.548 1.00 0.00 C ATOM 777 O GLU A 18 3.964 10.379 -27.970 1.00 0.00 O ATOM 778 CB GLU A 18 5.369 9.037 -29.892 1.00 0.00 C ATOM 779 CG GLU A 18 6.447 8.383 -30.759 1.00 0.00 C ATOM 780 CD GLU A 18 6.068 8.519 -32.235 1.00 0.00 C ATOM 781 OE1 GLU A 18 5.038 7.985 -32.612 1.00 0.00 O ATOM 782 OE2 GLU A 18 6.814 9.155 -32.961 1.00 0.00 O ATOM 0 H GLU A 18 4.577 6.812 -28.443 1.00 0.00 H new ATOM 0 HA GLU A 18 6.608 9.003 -28.125 1.00 0.00 H new ATOM 0 HB2 GLU A 18 4.381 8.696 -30.202 1.00 0.00 H new ATOM 0 HB3 GLU A 18 5.389 10.119 -30.023 1.00 0.00 H new ATOM 0 HG2 GLU A 18 7.412 8.855 -30.576 1.00 0.00 H new ATOM 0 HG3 GLU A 18 6.552 7.331 -30.495 1.00 0.00 H new ATOM 783 N LYS A 19 4.341 8.928 -26.338 1.00 0.00 N ATOM 784 CA LYS A 19 3.341 9.596 -25.460 1.00 0.00 C ATOM 785 C LYS A 19 3.770 9.480 -23.985 1.00 0.00 C ATOM 786 O LYS A 19 2.931 9.344 -23.096 1.00 0.00 O ATOM 787 CB LYS A 19 1.979 8.927 -25.650 1.00 0.00 C ATOM 788 CG LYS A 19 2.087 7.433 -25.332 1.00 0.00 C ATOM 789 CD LYS A 19 0.799 6.959 -24.655 1.00 0.00 C ATOM 790 CE LYS A 19 1.130 5.882 -23.619 1.00 0.00 C ATOM 791 NZ LYS A 19 1.936 6.483 -22.519 1.00 0.00 N ATOM 0 H LYS A 19 4.807 8.118 -25.929 1.00 0.00 H new ATOM 0 HA LYS A 19 3.276 10.651 -25.727 1.00 0.00 H new ATOM 0 HB2 LYS A 19 1.240 9.394 -24.999 1.00 0.00 H new ATOM 0 HB3 LYS A 19 1.635 9.066 -26.675 1.00 0.00 H new ATOM 0 HG2 LYS A 19 2.258 6.867 -26.248 1.00 0.00 H new ATOM 0 HG3 LYS A 19 2.941 7.250 -24.680 1.00 0.00 H new ATOM 0 HD2 LYS A 19 0.299 7.799 -24.174 1.00 0.00 H new ATOM 0 HD3 LYS A 19 0.110 6.562 -25.400 1.00 0.00 H new ATOM 0 HE2 LYS A 19 0.212 5.453 -23.219 1.00 0.00 H new ATOM 0 HE3 LYS A 19 1.684 5.069 -24.088 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 2.856 6.002 -22.460 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 2.086 7.494 -22.711 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 1.429 6.373 -21.617 1.00 0.00 H new ATOM 792 N ILE A 20 5.056 9.515 -23.702 1.00 0.00 N ATOM 793 CA ILE A 20 5.515 9.391 -22.292 1.00 0.00 C ATOM 794 C ILE A 20 6.192 10.680 -21.847 1.00 0.00 C ATOM 795 O ILE A 20 6.695 11.445 -22.670 1.00 0.00 O ATOM 796 CB ILE A 20 6.533 8.261 -22.194 1.00 0.00 C ATOM 797 CG1 ILE A 20 5.947 6.986 -22.810 1.00 0.00 C ATOM 798 CG2 ILE A 20 6.894 8.012 -20.728 1.00 0.00 C ATOM 799 CD1 ILE A 20 6.989 6.347 -23.722 1.00 0.00 C ATOM 0 H ILE A 20 5.800 9.624 -24.391 1.00 0.00 H new ATOM 0 HA ILE A 20 4.652 9.189 -21.658 1.00 0.00 H new ATOM 0 HB ILE A 20 7.435 8.541 -22.738 1.00 0.00 H new ATOM 0 HG12 ILE A 20 5.656 6.288 -22.025 1.00 0.00 H new ATOM 0 HG13 ILE A 20 5.046 7.222 -23.376 1.00 0.00 H new ATOM 0 HG21 ILE A 20 7.622 7.203 -20.665 1.00 0.00 H new ATOM 0 HG22 ILE A 20 7.321 8.919 -20.299 1.00 0.00 H new ATOM 0 HG23 ILE A 20 5.997 7.736 -20.174 1.00 0.00 H new ATOM 0 HD11 ILE A 20 6.578 5.439 -24.164 1.00 0.00 H new ATOM 0 HD12 ILE A 20 7.257 7.046 -24.514 1.00 0.00 H new ATOM 0 HD13 ILE A 20 7.877 6.098 -23.141 1.00 0.00 H new ATOM 800 N LYS A 21 6.237 10.935 -20.561 1.00 0.00 N ATOM 801 CA LYS A 21 6.908 12.169 -20.091 1.00 0.00 C ATOM 802 C LYS A 21 8.385 11.863 -19.806 1.00 0.00 C ATOM 803 O LYS A 21 8.839 10.737 -19.996 1.00 0.00 O ATOM 804 CB LYS A 21 6.228 12.694 -18.822 1.00 0.00 C ATOM 805 CG LYS A 21 5.197 13.760 -19.197 1.00 0.00 C ATOM 806 CD LYS A 21 4.585 14.349 -17.924 1.00 0.00 C ATOM 807 CE LYS A 21 3.229 14.979 -18.253 1.00 0.00 C ATOM 808 NZ LYS A 21 3.439 16.339 -18.824 1.00 0.00 N ATOM 0 H LYS A 21 5.840 10.344 -19.830 1.00 0.00 H new ATOM 0 HA LYS A 21 6.835 12.934 -20.864 1.00 0.00 H new ATOM 0 HB2 LYS A 21 5.743 11.875 -18.292 1.00 0.00 H new ATOM 0 HB3 LYS A 21 6.972 13.115 -18.146 1.00 0.00 H new ATOM 0 HG2 LYS A 21 5.670 14.548 -19.784 1.00 0.00 H new ATOM 0 HG3 LYS A 21 4.417 13.323 -19.820 1.00 0.00 H new ATOM 0 HD2 LYS A 21 4.463 13.569 -17.172 1.00 0.00 H new ATOM 0 HD3 LYS A 21 5.253 15.099 -17.500 1.00 0.00 H new ATOM 0 HE2 LYS A 21 2.688 14.354 -18.964 1.00 0.00 H new ATOM 0 HE3 LYS A 21 2.617 15.041 -17.353 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 2.518 16.768 -19.048 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 3.938 16.933 -18.131 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 4.007 16.267 -19.692 1.00 0.00 H new ATOM 809 N LYS A 22 9.149 12.836 -19.360 1.00 0.00 N ATOM 810 CA LYS A 22 10.596 12.572 -19.076 1.00 0.00 C ATOM 811 C LYS A 22 10.737 11.874 -17.720 1.00 0.00 C ATOM 812 O LYS A 22 11.550 10.964 -17.565 1.00 0.00 O ATOM 813 CB LYS A 22 11.375 13.891 -19.049 1.00 0.00 C ATOM 814 CG LYS A 22 12.880 13.606 -18.991 1.00 0.00 C ATOM 815 CD LYS A 22 13.548 14.568 -18.006 1.00 0.00 C ATOM 816 CE LYS A 22 14.072 15.792 -18.760 1.00 0.00 C ATOM 817 NZ LYS A 22 15.438 15.506 -19.281 1.00 0.00 N ATOM 0 H LYS A 22 8.836 13.790 -19.183 1.00 0.00 H new ATOM 0 HA LYS A 22 10.998 11.932 -19.861 1.00 0.00 H new ATOM 0 HB2 LYS A 22 11.141 14.480 -19.936 1.00 0.00 H new ATOM 0 HB3 LYS A 22 11.074 14.483 -18.185 1.00 0.00 H new ATOM 0 HG2 LYS A 22 13.053 12.575 -18.682 1.00 0.00 H new ATOM 0 HG3 LYS A 22 13.320 13.720 -19.982 1.00 0.00 H new ATOM 0 HD2 LYS A 22 12.834 14.877 -17.243 1.00 0.00 H new ATOM 0 HD3 LYS A 22 14.368 14.067 -17.492 1.00 0.00 H new ATOM 0 HE2 LYS A 22 13.402 16.040 -19.583 1.00 0.00 H new ATOM 0 HE3 LYS A 22 14.097 16.657 -18.098 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 15.944 16.401 -19.438 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 15.960 14.930 -18.590 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 15.365 14.987 -20.180 1.00 0.00 H new ATOM 818 N ASP A 23 9.952 12.255 -16.739 1.00 0.00 N ATOM 819 CA ASP A 23 10.045 11.576 -15.414 1.00 0.00 C ATOM 820 C ASP A 23 9.533 10.135 -15.557 1.00 0.00 C ATOM 821 O ASP A 23 9.920 9.256 -14.789 1.00 0.00 O ATOM 822 CB ASP A 23 9.199 12.315 -14.368 1.00 0.00 C ATOM 823 CG ASP A 23 9.947 13.562 -13.893 1.00 0.00 C ATOM 824 OD1 ASP A 23 9.961 14.536 -14.628 1.00 0.00 O ATOM 825 OD2 ASP A 23 10.494 13.522 -12.804 1.00 0.00 O ATOM 0 H ASP A 23 9.258 13.000 -16.801 1.00 0.00 H new ATOM 0 HA ASP A 23 11.084 11.578 -15.085 1.00 0.00 H new ATOM 0 HB2 ASP A 23 8.237 12.596 -14.796 1.00 0.00 H new ATOM 0 HB3 ASP A 23 8.992 11.659 -13.523 1.00 0.00 H new ATOM 826 N GLU A 24 8.667 9.862 -16.521 1.00 0.00 N ATOM 827 CA GLU A 24 8.158 8.470 -16.673 1.00 0.00 C ATOM 828 C GLU A 24 9.261 7.574 -17.259 1.00 0.00 C ATOM 829 O GLU A 24 9.599 6.543 -16.682 1.00 0.00 O ATOM 830 CB GLU A 24 6.934 8.441 -17.599 1.00 0.00 C ATOM 831 CG GLU A 24 5.672 8.744 -16.787 1.00 0.00 C ATOM 832 CD GLU A 24 5.245 7.490 -16.020 1.00 0.00 C ATOM 833 OE1 GLU A 24 5.803 7.250 -14.962 1.00 0.00 O ATOM 834 OE2 GLU A 24 4.369 6.794 -16.504 1.00 0.00 O ATOM 0 H GLU A 24 8.303 10.538 -17.192 1.00 0.00 H new ATOM 0 HA GLU A 24 7.866 8.100 -15.690 1.00 0.00 H new ATOM 0 HB2 GLU A 24 7.051 9.175 -18.397 1.00 0.00 H new ATOM 0 HB3 GLU A 24 6.847 7.464 -18.074 1.00 0.00 H new ATOM 0 HG2 GLU A 24 5.862 9.562 -16.092 1.00 0.00 H new ATOM 0 HG3 GLU A 24 4.870 9.069 -17.450 1.00 0.00 H new ATOM 835 N LEU A 25 9.830 7.934 -18.394 1.00 0.00 N ATOM 836 CA LEU A 25 10.906 7.064 -18.988 1.00 0.00 C ATOM 837 C LEU A 25 12.128 6.972 -18.055 1.00 0.00 C ATOM 838 O LEU A 25 12.921 6.042 -18.175 1.00 0.00 O ATOM 839 CB LEU A 25 11.358 7.614 -20.348 1.00 0.00 C ATOM 840 CG LEU A 25 10.222 7.481 -21.366 1.00 0.00 C ATOM 841 CD1 LEU A 25 10.644 8.130 -22.686 1.00 0.00 C ATOM 842 CD2 LEU A 25 9.892 5.995 -21.600 1.00 0.00 C ATOM 0 H LEU A 25 9.602 8.775 -18.925 1.00 0.00 H new ATOM 0 HA LEU A 25 10.482 6.068 -19.118 1.00 0.00 H new ATOM 0 HB2 LEU A 25 11.649 8.660 -20.249 1.00 0.00 H new ATOM 0 HB3 LEU A 25 12.236 7.070 -20.697 1.00 0.00 H new ATOM 0 HG LEU A 25 9.335 7.982 -20.980 1.00 0.00 H new ATOM 0 HD11 LEU A 25 9.836 8.036 -23.412 1.00 0.00 H new ATOM 0 HD12 LEU A 25 10.862 9.185 -22.520 1.00 0.00 H new ATOM 0 HD13 LEU A 25 11.535 7.632 -23.068 1.00 0.00 H new ATOM 0 HD21 LEU A 25 9.083 5.912 -22.326 1.00 0.00 H new ATOM 0 HD22 LEU A 25 10.775 5.482 -21.981 1.00 0.00 H new ATOM 0 HD23 LEU A 25 9.584 5.538 -20.659 1.00 0.00 H new ATOM 843 N LYS A 26 12.315 7.895 -17.132 1.00 0.00 N ATOM 844 CA LYS A 26 13.502 7.798 -16.225 1.00 0.00 C ATOM 845 C LYS A 26 13.185 6.881 -15.029 1.00 0.00 C ATOM 846 O LYS A 26 14.086 6.261 -14.467 1.00 0.00 O ATOM 847 CB LYS A 26 13.893 9.190 -15.714 1.00 0.00 C ATOM 848 CG LYS A 26 15.299 9.136 -15.113 1.00 0.00 C ATOM 849 CD LYS A 26 15.395 10.123 -13.948 1.00 0.00 C ATOM 850 CE LYS A 26 16.826 10.653 -13.843 1.00 0.00 C ATOM 851 NZ LYS A 26 17.134 10.976 -12.421 1.00 0.00 N ATOM 0 H LYS A 26 11.705 8.697 -16.972 1.00 0.00 H new ATOM 0 HA LYS A 26 14.334 7.376 -16.789 1.00 0.00 H new ATOM 0 HB2 LYS A 26 13.863 9.911 -16.531 1.00 0.00 H new ATOM 0 HB3 LYS A 26 13.178 9.528 -14.964 1.00 0.00 H new ATOM 0 HG2 LYS A 26 15.519 8.126 -14.767 1.00 0.00 H new ATOM 0 HG3 LYS A 26 16.041 9.381 -15.873 1.00 0.00 H new ATOM 0 HD2 LYS A 26 14.700 10.949 -14.100 1.00 0.00 H new ATOM 0 HD3 LYS A 26 15.109 9.632 -13.018 1.00 0.00 H new ATOM 0 HE2 LYS A 26 17.529 9.909 -14.218 1.00 0.00 H new ATOM 0 HE3 LYS A 26 16.942 11.542 -14.462 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 18.107 11.336 -12.350 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 16.471 11.700 -12.078 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 17.040 10.117 -11.842 1.00 0.00 H new ATOM 852 N LYS A 27 11.936 6.772 -14.620 1.00 0.00 N ATOM 853 CA LYS A 27 11.613 5.880 -13.462 1.00 0.00 C ATOM 854 C LYS A 27 11.595 4.407 -13.912 1.00 0.00 C ATOM 855 O LYS A 27 11.884 3.512 -13.118 1.00 0.00 O ATOM 856 CB LYS A 27 10.241 6.246 -12.879 1.00 0.00 C ATOM 857 CG LYS A 27 10.420 7.276 -11.762 1.00 0.00 C ATOM 858 CD LYS A 27 10.972 6.585 -10.514 1.00 0.00 C ATOM 859 CE LYS A 27 9.814 6.044 -9.674 1.00 0.00 C ATOM 860 NZ LYS A 27 10.280 5.804 -8.279 1.00 0.00 N ATOM 0 H LYS A 27 11.140 7.257 -15.034 1.00 0.00 H new ATOM 0 HA LYS A 27 12.380 6.016 -12.699 1.00 0.00 H new ATOM 0 HB2 LYS A 27 9.598 6.650 -13.661 1.00 0.00 H new ATOM 0 HB3 LYS A 27 9.749 5.354 -12.491 1.00 0.00 H new ATOM 0 HG2 LYS A 27 11.100 8.064 -12.085 1.00 0.00 H new ATOM 0 HG3 LYS A 27 9.466 7.752 -11.535 1.00 0.00 H new ATOM 0 HD2 LYS A 27 11.638 5.771 -10.801 1.00 0.00 H new ATOM 0 HD3 LYS A 27 11.563 7.289 -9.927 1.00 0.00 H new ATOM 0 HE2 LYS A 27 8.987 6.754 -9.675 1.00 0.00 H new ATOM 0 HE3 LYS A 27 9.438 5.117 -10.108 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 9.492 5.436 -7.708 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 11.055 5.111 -8.286 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 10.618 6.697 -7.867 1.00 0.00 H new ATOM 861 N SER A 28 11.257 4.120 -15.157 1.00 0.00 N ATOM 862 CA SER A 28 11.227 2.692 -15.603 1.00 0.00 C ATOM 863 C SER A 28 12.608 2.264 -16.131 1.00 0.00 C ATOM 864 O SER A 28 13.021 1.122 -15.938 1.00 0.00 O ATOM 865 CB SER A 28 10.185 2.514 -16.711 1.00 0.00 C ATOM 866 OG SER A 28 8.889 2.762 -16.182 1.00 0.00 O ATOM 0 H SER A 28 11.005 4.806 -15.868 1.00 0.00 H new ATOM 0 HA SER A 28 10.964 2.069 -14.748 1.00 0.00 H new ATOM 0 HB2 SER A 28 10.392 3.199 -17.534 1.00 0.00 H new ATOM 0 HB3 SER A 28 10.238 1.504 -17.116 1.00 0.00 H new ATOM 0 HG SER A 28 8.220 2.650 -16.889 1.00 0.00 H new ATOM 867 N LEU A 29 13.332 3.141 -16.796 1.00 0.00 N ATOM 868 CA LEU A 29 14.677 2.740 -17.328 1.00 0.00 C ATOM 869 C LEU A 29 15.670 2.602 -16.167 1.00 0.00 C ATOM 870 O LEU A 29 16.475 1.673 -16.132 1.00 0.00 O ATOM 871 CB LEU A 29 15.194 3.790 -18.320 1.00 0.00 C ATOM 872 CG LEU A 29 14.283 3.822 -19.549 1.00 0.00 C ATOM 873 CD1 LEU A 29 14.430 5.168 -20.262 1.00 0.00 C ATOM 874 CD2 LEU A 29 14.678 2.693 -20.503 1.00 0.00 C ATOM 0 H LEU A 29 13.054 4.103 -16.990 1.00 0.00 H new ATOM 0 HA LEU A 29 14.579 1.785 -17.843 1.00 0.00 H new ATOM 0 HB2 LEU A 29 15.219 4.772 -17.847 1.00 0.00 H new ATOM 0 HB3 LEU A 29 16.216 3.553 -18.617 1.00 0.00 H new ATOM 0 HG LEU A 29 13.247 3.690 -19.237 1.00 0.00 H new ATOM 0 HD11 LEU A 29 13.780 5.189 -21.137 1.00 0.00 H new ATOM 0 HD12 LEU A 29 14.149 5.972 -19.582 1.00 0.00 H new ATOM 0 HD13 LEU A 29 15.465 5.303 -20.575 1.00 0.00 H new ATOM 0 HD21 LEU A 29 14.030 2.714 -21.379 1.00 0.00 H new ATOM 0 HD22 LEU A 29 15.714 2.826 -20.814 1.00 0.00 H new ATOM 0 HD23 LEU A 29 14.571 1.734 -19.996 1.00 0.00 H new ATOM 875 N HIS A 30 15.634 3.504 -15.214 1.00 0.00 N ATOM 876 CA HIS A 30 16.587 3.407 -14.059 1.00 0.00 C ATOM 877 C HIS A 30 16.352 2.099 -13.282 1.00 0.00 C ATOM 878 O HIS A 30 17.287 1.538 -12.711 1.00 0.00 O ATOM 879 CB HIS A 30 16.395 4.598 -13.110 1.00 0.00 C ATOM 880 CG HIS A 30 17.659 4.823 -12.328 1.00 0.00 C ATOM 881 ND1 HIS A 30 18.961 5.014 -12.722 1.00 0.00 N flip ATOM 882 CD2 HIS A 30 17.673 4.872 -10.943 1.00 0.00 C flip ATOM 883 CE1 HIS A 30 19.770 5.180 -11.602 1.00 0.00 C flip ATOM 884 NE2 HIS A 30 18.945 5.085 -10.557 1.00 0.00 N flip ATOM 0 H HIS A 30 14.993 4.297 -15.184 1.00 0.00 H new ATOM 0 HA HIS A 30 17.603 3.417 -14.452 1.00 0.00 H new ATOM 0 HB2 HIS A 30 16.142 5.493 -13.679 1.00 0.00 H new ATOM 0 HB3 HIS A 30 15.564 4.406 -12.431 1.00 0.00 H new ATOM 0 HD2 HIS A 30 16.819 4.760 -10.292 1.00 0.00 H new ATOM 0 HE1 HIS A 30 20.836 5.349 -11.582 1.00 0.00 H new ATOM 0 HE2 HIS A 30 19.242 5.164 -9.584 1.00 0.00 H new ATOM 885 N ALA A 31 15.134 1.600 -13.231 1.00 0.00 N ATOM 886 CA ALA A 31 14.885 0.332 -12.473 1.00 0.00 C ATOM 887 C ALA A 31 15.384 -0.872 -13.286 1.00 0.00 C ATOM 888 O ALA A 31 16.328 -1.545 -12.885 1.00 0.00 O ATOM 889 CB ALA A 31 13.384 0.165 -12.196 1.00 0.00 C ATOM 0 H ALA A 31 14.314 2.012 -13.676 1.00 0.00 H new ATOM 0 HA ALA A 31 15.424 0.383 -11.527 1.00 0.00 H new ATOM 0 HB1 ALA A 31 13.216 -0.760 -11.645 1.00 0.00 H new ATOM 0 HB2 ALA A 31 13.027 1.009 -11.606 1.00 0.00 H new ATOM 0 HB3 ALA A 31 12.842 0.128 -13.141 1.00 0.00 H new ATOM 890 N ILE A 32 14.757 -1.175 -14.408 1.00 0.00 N ATOM 891 CA ILE A 32 15.179 -2.348 -15.226 1.00 0.00 C ATOM 892 C ILE A 32 16.715 -2.434 -15.370 1.00 0.00 C ATOM 893 O ILE A 32 17.323 -3.429 -14.977 1.00 0.00 O ATOM 894 CB ILE A 32 14.533 -2.302 -16.624 1.00 0.00 C ATOM 895 CG1 ILE A 32 14.393 -0.865 -17.189 1.00 0.00 C ATOM 896 CG2 ILE A 32 13.155 -2.961 -16.568 1.00 0.00 C ATOM 897 CD1 ILE A 32 15.056 -0.783 -18.568 1.00 0.00 C ATOM 0 H ILE A 32 13.968 -0.651 -14.786 1.00 0.00 H new ATOM 0 HA ILE A 32 14.838 -3.238 -14.697 1.00 0.00 H new ATOM 0 HB ILE A 32 15.198 -2.843 -17.297 1.00 0.00 H new ATOM 0 HG12 ILE A 32 13.340 -0.595 -17.265 1.00 0.00 H new ATOM 0 HG13 ILE A 32 14.857 -0.150 -16.509 1.00 0.00 H new ATOM 0 HG21 ILE A 32 12.696 -2.929 -17.556 1.00 0.00 H new ATOM 0 HG22 ILE A 32 13.260 -3.998 -16.250 1.00 0.00 H new ATOM 0 HG23 ILE A 32 12.524 -2.426 -15.858 1.00 0.00 H new ATOM 0 HD11 ILE A 32 14.955 0.229 -18.961 1.00 0.00 H new ATOM 0 HD12 ILE A 32 16.113 -1.034 -18.479 1.00 0.00 H new ATOM 0 HD13 ILE A 32 14.572 -1.486 -19.247 1.00 0.00 H new ATOM 898 N PHE A 33 17.355 -1.435 -15.927 1.00 0.00 N ATOM 899 CA PHE A 33 18.847 -1.498 -16.091 1.00 0.00 C ATOM 900 C PHE A 33 19.531 -1.596 -14.716 1.00 0.00 C ATOM 901 O PHE A 33 20.537 -2.287 -14.567 1.00 0.00 O ATOM 902 CB PHE A 33 19.354 -0.244 -16.816 1.00 0.00 C ATOM 903 CG PHE A 33 18.922 -0.290 -18.262 1.00 0.00 C ATOM 904 CD1 PHE A 33 19.213 -1.414 -19.043 1.00 0.00 C ATOM 905 CD2 PHE A 33 18.231 0.790 -18.822 1.00 0.00 C ATOM 906 CE1 PHE A 33 18.813 -1.459 -20.384 1.00 0.00 C ATOM 907 CE2 PHE A 33 17.830 0.747 -20.162 1.00 0.00 C ATOM 908 CZ PHE A 33 18.121 -0.378 -20.943 1.00 0.00 C ATOM 0 H PHE A 33 16.915 -0.583 -16.274 1.00 0.00 H new ATOM 0 HA PHE A 33 19.090 -2.382 -16.680 1.00 0.00 H new ATOM 0 HB2 PHE A 33 18.959 0.651 -16.336 1.00 0.00 H new ATOM 0 HB3 PHE A 33 20.441 -0.188 -16.751 1.00 0.00 H new ATOM 0 HD1 PHE A 33 19.747 -2.248 -18.611 1.00 0.00 H new ATOM 0 HD2 PHE A 33 18.007 1.658 -18.219 1.00 0.00 H new ATOM 0 HE1 PHE A 33 19.038 -2.327 -20.986 1.00 0.00 H new ATOM 0 HE2 PHE A 33 17.296 1.581 -20.593 1.00 0.00 H new ATOM 0 HZ PHE A 33 17.811 -0.412 -21.977 1.00 0.00 H new ATOM 909 N SER A 34 19.024 -0.914 -13.710 1.00 0.00 N ATOM 910 CA SER A 34 19.678 -0.980 -12.357 1.00 0.00 C ATOM 911 C SER A 34 19.876 -2.446 -11.925 1.00 0.00 C ATOM 912 O SER A 34 20.869 -2.777 -11.278 1.00 0.00 O ATOM 913 CB SER A 34 18.813 -0.264 -11.314 1.00 0.00 C ATOM 914 OG SER A 34 19.183 -0.706 -10.014 1.00 0.00 O ATOM 0 H SER A 34 18.196 -0.321 -13.765 1.00 0.00 H new ATOM 0 HA SER A 34 20.649 -0.489 -12.425 1.00 0.00 H new ATOM 0 HB2 SER A 34 18.944 0.815 -11.395 1.00 0.00 H new ATOM 0 HB3 SER A 34 17.758 -0.472 -11.495 1.00 0.00 H new ATOM 0 HG SER A 34 18.633 -0.249 -9.344 1.00 0.00 H new ATOM 915 N ARG A 35 18.961 -3.334 -12.256 1.00 0.00 N ATOM 916 CA ARG A 35 19.127 -4.769 -11.840 1.00 0.00 C ATOM 917 C ARG A 35 20.497 -5.289 -12.306 1.00 0.00 C ATOM 918 O ARG A 35 21.247 -5.872 -11.524 1.00 0.00 O ATOM 919 CB ARG A 35 18.024 -5.637 -12.460 1.00 0.00 C ATOM 920 CG ARG A 35 16.664 -5.210 -11.903 1.00 0.00 C ATOM 921 CD ARG A 35 15.594 -5.386 -12.981 1.00 0.00 C ATOM 922 NE ARG A 35 15.308 -6.837 -13.164 1.00 0.00 N ATOM 923 CZ ARG A 35 14.272 -7.377 -12.582 1.00 0.00 C ATOM 924 NH1 ARG A 35 13.098 -6.818 -12.692 1.00 0.00 N ATOM 925 NH2 ARG A 35 14.410 -8.475 -11.891 1.00 0.00 N ATOM 0 H ARG A 35 18.116 -3.130 -12.790 1.00 0.00 H new ATOM 0 HA ARG A 35 19.059 -4.825 -10.754 1.00 0.00 H new ATOM 0 HB2 ARG A 35 18.033 -5.534 -13.545 1.00 0.00 H new ATOM 0 HB3 ARG A 35 18.206 -6.688 -12.238 1.00 0.00 H new ATOM 0 HG2 ARG A 35 16.414 -5.808 -11.026 1.00 0.00 H new ATOM 0 HG3 ARG A 35 16.702 -4.170 -11.579 1.00 0.00 H new ATOM 0 HD2 ARG A 35 14.684 -4.858 -12.695 1.00 0.00 H new ATOM 0 HD3 ARG A 35 15.934 -4.950 -13.920 1.00 0.00 H new ATOM 0 HE ARG A 35 15.922 -7.408 -13.744 1.00 0.00 H new ATOM 0 HH11 ARG A 35 12.990 -5.960 -13.233 1.00 0.00 H new ATOM 0 HH12 ARG A 35 12.288 -7.239 -12.238 1.00 0.00 H new ATOM 0 HH21 ARG A 35 15.328 -8.912 -11.805 1.00 0.00 H new ATOM 0 HH22 ARG A 35 13.600 -8.897 -11.436 1.00 0.00 H new ATOM 926 N PHE A 36 20.844 -5.095 -13.562 1.00 0.00 N ATOM 927 CA PHE A 36 22.173 -5.591 -14.050 1.00 0.00 C ATOM 928 C PHE A 36 23.294 -4.974 -13.201 1.00 0.00 C ATOM 929 O PHE A 36 24.078 -5.691 -12.579 1.00 0.00 O ATOM 930 CB PHE A 36 22.381 -5.204 -15.521 1.00 0.00 C ATOM 931 CG PHE A 36 21.373 -5.928 -16.380 1.00 0.00 C ATOM 932 CD1 PHE A 36 21.631 -7.235 -16.813 1.00 0.00 C ATOM 933 CD2 PHE A 36 20.178 -5.294 -16.745 1.00 0.00 C ATOM 934 CE1 PHE A 36 20.696 -7.906 -17.609 1.00 0.00 C ATOM 935 CE2 PHE A 36 19.244 -5.966 -17.541 1.00 0.00 C ATOM 936 CZ PHE A 36 19.503 -7.271 -17.974 1.00 0.00 C ATOM 0 H PHE A 36 20.271 -4.621 -14.260 1.00 0.00 H new ATOM 0 HA PHE A 36 22.196 -6.677 -13.962 1.00 0.00 H new ATOM 0 HB2 PHE A 36 22.272 -4.126 -15.643 1.00 0.00 H new ATOM 0 HB3 PHE A 36 23.393 -5.459 -15.836 1.00 0.00 H new ATOM 0 HD1 PHE A 36 22.552 -7.725 -16.532 1.00 0.00 H new ATOM 0 HD2 PHE A 36 19.978 -4.286 -16.412 1.00 0.00 H new ATOM 0 HE1 PHE A 36 20.895 -8.914 -17.942 1.00 0.00 H new ATOM 0 HE2 PHE A 36 18.323 -5.477 -17.821 1.00 0.00 H new ATOM 0 HZ PHE A 36 18.782 -7.789 -18.590 1.00 0.00 H new ATOM 937 N GLY A 37 23.395 -3.662 -13.158 1.00 0.00 N ATOM 938 CA GLY A 37 24.476 -3.027 -12.343 1.00 0.00 C ATOM 939 C GLY A 37 24.009 -1.653 -11.836 1.00 0.00 C ATOM 940 O GLY A 37 22.813 -1.382 -11.767 1.00 0.00 O ATOM 0 H GLY A 37 22.780 -3.013 -13.648 1.00 0.00 H new ATOM 0 HA2 GLY A 37 24.732 -3.668 -11.499 1.00 0.00 H new ATOM 0 HA3 GLY A 37 25.379 -2.915 -12.944 1.00 0.00 H new ATOM 941 N GLN A 38 24.926 -0.776 -11.485 1.00 0.00 N ATOM 942 CA GLN A 38 24.512 0.573 -10.991 1.00 0.00 C ATOM 943 C GLN A 38 24.400 1.538 -12.177 1.00 0.00 C ATOM 944 O GLN A 38 25.105 1.393 -13.175 1.00 0.00 O ATOM 945 CB GLN A 38 25.549 1.105 -9.996 1.00 0.00 C ATOM 946 CG GLN A 38 25.058 2.428 -9.404 1.00 0.00 C ATOM 947 CD GLN A 38 26.150 3.026 -8.507 1.00 0.00 C ATOM 948 OE1 GLN A 38 25.981 3.104 -7.292 1.00 0.00 O ATOM 949 NE2 GLN A 38 27.269 3.456 -9.037 1.00 0.00 N ATOM 0 H GLN A 38 25.932 -0.938 -11.520 1.00 0.00 H new ATOM 0 HA GLN A 38 23.546 0.492 -10.492 1.00 0.00 H new ATOM 0 HB2 GLN A 38 25.712 0.377 -9.201 1.00 0.00 H new ATOM 0 HB3 GLN A 38 26.506 1.251 -10.496 1.00 0.00 H new ATOM 0 HG2 GLN A 38 24.807 3.125 -10.203 1.00 0.00 H new ATOM 0 HG3 GLN A 38 24.148 2.265 -8.827 1.00 0.00 H new ATOM 0 HE21 GLN A 38 27.413 3.393 -10.045 1.00 0.00 H new ATOM 0 HE22 GLN A 38 27.996 3.854 -8.442 1.00 0.00 H new ATOM 950 N ILE A 39 23.527 2.517 -12.100 1.00 0.00 N ATOM 951 CA ILE A 39 23.383 3.476 -13.234 1.00 0.00 C ATOM 952 C ILE A 39 23.834 4.874 -12.787 1.00 0.00 C ATOM 953 O ILE A 39 23.239 5.470 -11.890 1.00 0.00 O ATOM 954 CB ILE A 39 21.918 3.531 -13.675 1.00 0.00 C ATOM 955 CG1 ILE A 39 21.420 2.114 -13.972 1.00 0.00 C ATOM 956 CG2 ILE A 39 21.796 4.387 -14.936 1.00 0.00 C ATOM 957 CD1 ILE A 39 19.891 2.112 -14.019 1.00 0.00 C ATOM 0 H ILE A 39 22.913 2.689 -11.304 1.00 0.00 H new ATOM 0 HA ILE A 39 24.002 3.144 -14.068 1.00 0.00 H new ATOM 0 HB ILE A 39 21.316 3.969 -12.878 1.00 0.00 H new ATOM 0 HG12 ILE A 39 21.824 1.766 -14.923 1.00 0.00 H new ATOM 0 HG13 ILE A 39 21.772 1.425 -13.205 1.00 0.00 H new ATOM 0 HG21 ILE A 39 20.753 4.426 -15.250 1.00 0.00 H new ATOM 0 HG22 ILE A 39 22.150 5.396 -14.726 1.00 0.00 H new ATOM 0 HG23 ILE A 39 22.398 3.950 -15.732 1.00 0.00 H new ATOM 0 HD11 ILE A 39 19.535 1.104 -14.230 1.00 0.00 H new ATOM 0 HD12 ILE A 39 19.497 2.442 -13.058 1.00 0.00 H new ATOM 0 HD13 ILE A 39 19.550 2.789 -14.802 1.00 0.00 H new ATOM 958 N LEU A 40 24.870 5.416 -13.391 1.00 0.00 N ATOM 959 CA LEU A 40 25.336 6.781 -12.983 1.00 0.00 C ATOM 960 C LEU A 40 24.222 7.800 -13.253 1.00 0.00 C ATOM 961 O LEU A 40 23.632 8.350 -12.325 1.00 0.00 O ATOM 962 CB LEU A 40 26.590 7.180 -13.778 1.00 0.00 C ATOM 963 CG LEU A 40 27.841 6.877 -12.951 1.00 0.00 C ATOM 964 CD1 LEU A 40 27.968 5.365 -12.751 1.00 0.00 C ATOM 965 CD2 LEU A 40 29.076 7.397 -13.690 1.00 0.00 C ATOM 0 H LEU A 40 25.406 4.977 -14.140 1.00 0.00 H new ATOM 0 HA LEU A 40 25.580 6.766 -11.921 1.00 0.00 H new ATOM 0 HB2 LEU A 40 26.624 6.634 -14.721 1.00 0.00 H new ATOM 0 HB3 LEU A 40 26.554 8.241 -14.025 1.00 0.00 H new ATOM 0 HG LEU A 40 27.762 7.366 -11.980 1.00 0.00 H new ATOM 0 HD11 LEU A 40 28.859 5.150 -12.162 1.00 0.00 H new ATOM 0 HD12 LEU A 40 27.088 4.992 -12.227 1.00 0.00 H new ATOM 0 HD13 LEU A 40 28.047 4.875 -13.721 1.00 0.00 H new ATOM 0 HD21 LEU A 40 29.969 7.182 -13.103 1.00 0.00 H new ATOM 0 HD22 LEU A 40 29.153 6.906 -14.660 1.00 0.00 H new ATOM 0 HD23 LEU A 40 28.987 8.474 -13.834 1.00 0.00 H new ATOM 966 N ASP A 41 23.919 8.066 -14.503 1.00 0.00 N ATOM 967 CA ASP A 41 22.842 9.051 -14.815 1.00 0.00 C ATOM 968 C ASP A 41 22.137 8.653 -16.120 1.00 0.00 C ATOM 969 O ASP A 41 22.666 7.870 -16.909 1.00 0.00 O ATOM 970 CB ASP A 41 23.456 10.444 -14.971 1.00 0.00 C ATOM 971 CG ASP A 41 24.270 10.788 -13.722 1.00 0.00 C ATOM 972 OD1 ASP A 41 23.664 10.996 -12.683 1.00 0.00 O ATOM 973 OD2 ASP A 41 25.485 10.837 -13.826 1.00 0.00 O ATOM 0 H ASP A 41 24.371 7.644 -15.314 1.00 0.00 H new ATOM 0 HA ASP A 41 22.116 9.061 -14.002 1.00 0.00 H new ATOM 0 HB2 ASP A 41 24.095 10.474 -15.854 1.00 0.00 H new ATOM 0 HB3 ASP A 41 22.670 11.184 -15.121 1.00 0.00 H new ATOM 974 N ILE A 42 20.955 9.174 -16.373 1.00 0.00 N ATOM 975 CA ILE A 42 20.236 8.816 -17.629 1.00 0.00 C ATOM 976 C ILE A 42 19.773 10.099 -18.335 1.00 0.00 C ATOM 977 O ILE A 42 19.221 10.999 -17.705 1.00 0.00 O ATOM 978 CB ILE A 42 19.021 7.951 -17.292 1.00 0.00 C ATOM 979 CG1 ILE A 42 19.475 6.722 -16.502 1.00 0.00 C ATOM 980 CG2 ILE A 42 18.338 7.499 -18.586 1.00 0.00 C ATOM 981 CD1 ILE A 42 18.284 6.131 -15.745 1.00 0.00 C ATOM 0 H ILE A 42 20.464 9.828 -15.763 1.00 0.00 H new ATOM 0 HA ILE A 42 20.905 8.260 -18.286 1.00 0.00 H new ATOM 0 HB ILE A 42 18.318 8.531 -16.694 1.00 0.00 H new ATOM 0 HG12 ILE A 42 19.895 5.977 -17.178 1.00 0.00 H new ATOM 0 HG13 ILE A 42 20.263 6.998 -15.802 1.00 0.00 H new ATOM 0 HG21 ILE A 42 17.472 6.883 -18.344 1.00 0.00 H new ATOM 0 HG22 ILE A 42 18.015 8.373 -19.151 1.00 0.00 H new ATOM 0 HG23 ILE A 42 19.040 6.919 -19.185 1.00 0.00 H new ATOM 0 HD11 ILE A 42 18.609 5.256 -15.183 1.00 0.00 H new ATOM 0 HD12 ILE A 42 17.884 6.876 -15.057 1.00 0.00 H new ATOM 0 HD13 ILE A 42 17.510 5.840 -16.455 1.00 0.00 H new ATOM 982 N LEU A 43 19.986 10.209 -19.629 1.00 0.00 N ATOM 983 CA LEU A 43 19.556 11.440 -20.352 1.00 0.00 C ATOM 984 C LEU A 43 18.273 11.154 -21.146 1.00 0.00 C ATOM 985 O LEU A 43 18.206 10.193 -21.911 1.00 0.00 O ATOM 986 CB LEU A 43 20.661 11.875 -21.316 1.00 0.00 C ATOM 987 CG LEU A 43 21.693 12.718 -20.566 1.00 0.00 C ATOM 988 CD1 LEU A 43 22.751 11.801 -19.951 1.00 0.00 C ATOM 989 CD2 LEU A 43 22.363 13.686 -21.542 1.00 0.00 C ATOM 0 H LEU A 43 20.437 9.500 -20.208 1.00 0.00 H new ATOM 0 HA LEU A 43 19.365 12.233 -19.630 1.00 0.00 H new ATOM 0 HB2 LEU A 43 21.141 11.000 -21.754 1.00 0.00 H new ATOM 0 HB3 LEU A 43 20.235 12.450 -22.138 1.00 0.00 H new ATOM 0 HG LEU A 43 21.198 13.282 -19.775 1.00 0.00 H new ATOM 0 HD11 LEU A 43 23.487 12.402 -19.416 1.00 0.00 H new ATOM 0 HD12 LEU A 43 22.274 11.109 -19.257 1.00 0.00 H new ATOM 0 HD13 LEU A 43 23.248 11.237 -20.741 1.00 0.00 H new ATOM 0 HD21 LEU A 43 23.099 14.288 -21.010 1.00 0.00 H new ATOM 0 HD22 LEU A 43 22.859 13.121 -22.332 1.00 0.00 H new ATOM 0 HD23 LEU A 43 21.609 14.339 -21.981 1.00 0.00 H new ATOM 990 N VAL A 44 17.252 11.969 -20.991 1.00 0.00 N ATOM 991 CA VAL A 44 15.987 11.734 -21.749 1.00 0.00 C ATOM 992 C VAL A 44 15.598 13.029 -22.475 1.00 0.00 C ATOM 993 O VAL A 44 16.059 14.112 -22.115 1.00 0.00 O ATOM 994 CB VAL A 44 14.862 11.332 -20.785 1.00 0.00 C ATOM 995 CG1 VAL A 44 13.681 10.773 -21.581 1.00 0.00 C ATOM 996 CG2 VAL A 44 15.363 10.258 -19.812 1.00 0.00 C ATOM 0 H VAL A 44 17.244 12.782 -20.374 1.00 0.00 H new ATOM 0 HA VAL A 44 16.138 10.930 -22.469 1.00 0.00 H new ATOM 0 HB VAL A 44 14.547 12.211 -20.223 1.00 0.00 H new ATOM 0 HG11 VAL A 44 12.883 10.488 -20.896 1.00 0.00 H new ATOM 0 HG12 VAL A 44 13.314 11.534 -22.270 1.00 0.00 H new ATOM 0 HG13 VAL A 44 14.004 9.898 -22.146 1.00 0.00 H new ATOM 0 HG21 VAL A 44 14.558 9.979 -19.132 1.00 0.00 H new ATOM 0 HG22 VAL A 44 15.685 9.380 -20.373 1.00 0.00 H new ATOM 0 HG23 VAL A 44 16.203 10.650 -19.238 1.00 0.00 H new ATOM 997 N SER A 45 14.765 12.953 -23.493 1.00 0.00 N ATOM 998 CA SER A 45 14.373 14.196 -24.222 1.00 0.00 C ATOM 999 C SER A 45 12.952 14.047 -24.787 1.00 0.00 C ATOM 1000 O SER A 45 12.533 12.953 -25.160 1.00 0.00 O ATOM 1001 CB SER A 45 15.361 14.443 -25.367 1.00 0.00 C ATOM 1002 OG SER A 45 16.349 13.420 -25.361 1.00 0.00 O ATOM 0 H SER A 45 14.347 12.091 -23.843 1.00 0.00 H new ATOM 0 HA SER A 45 14.392 15.040 -23.533 1.00 0.00 H new ATOM 0 HB2 SER A 45 14.835 14.452 -26.322 1.00 0.00 H new ATOM 0 HB3 SER A 45 15.831 15.420 -25.253 1.00 0.00 H new ATOM 0 HG SER A 45 16.902 13.495 -26.167 1.00 0.00 H new ATOM 1003 N ARG A 46 12.199 15.126 -24.864 1.00 0.00 N ATOM 1004 CA ARG A 46 10.814 15.028 -25.411 1.00 0.00 C ATOM 1005 C ARG A 46 10.695 15.888 -26.682 1.00 0.00 C ATOM 1006 O ARG A 46 9.661 16.509 -26.923 1.00 0.00 O ATOM 1007 CB ARG A 46 9.818 15.528 -24.363 1.00 0.00 C ATOM 1008 CG ARG A 46 9.332 14.349 -23.518 1.00 0.00 C ATOM 1009 CD ARG A 46 7.883 14.591 -23.087 1.00 0.00 C ATOM 1010 NE ARG A 46 7.836 15.708 -22.104 1.00 0.00 N ATOM 1011 CZ ARG A 46 6.949 16.656 -22.234 1.00 0.00 C ATOM 1012 NH1 ARG A 46 5.703 16.353 -22.479 1.00 0.00 N ATOM 1013 NH2 ARG A 46 7.307 17.906 -22.120 1.00 0.00 N ATOM 0 H ARG A 46 12.487 16.060 -24.572 1.00 0.00 H new ATOM 0 HA ARG A 46 10.596 13.989 -25.658 1.00 0.00 H new ATOM 0 HB2 ARG A 46 10.289 16.276 -23.726 1.00 0.00 H new ATOM 0 HB3 ARG A 46 8.972 16.012 -24.851 1.00 0.00 H new ATOM 0 HG2 ARG A 46 9.402 13.424 -24.091 1.00 0.00 H new ATOM 0 HG3 ARG A 46 9.968 14.230 -22.641 1.00 0.00 H new ATOM 0 HD2 ARG A 46 7.270 14.831 -23.955 1.00 0.00 H new ATOM 0 HD3 ARG A 46 7.468 13.685 -22.644 1.00 0.00 H new ATOM 0 HE ARG A 46 8.498 15.732 -21.328 1.00 0.00 H new ATOM 0 HH11 ARG A 46 5.424 15.376 -22.569 1.00 0.00 H new ATOM 0 HH12 ARG A 46 5.009 17.093 -22.581 1.00 0.00 H new ATOM 0 HH21 ARG A 46 8.281 18.142 -21.929 1.00 0.00 H new ATOM 0 HH22 ARG A 46 6.613 18.647 -22.222 1.00 0.00 H new ATOM 1014 N SER A 47 11.723 15.939 -27.505 1.00 0.00 N ATOM 1015 CA SER A 47 11.641 16.759 -28.751 1.00 0.00 C ATOM 1016 C SER A 47 11.261 15.851 -29.929 1.00 0.00 C ATOM 1017 O SER A 47 11.186 14.631 -29.781 1.00 0.00 O ATOM 1018 CB SER A 47 12.999 17.408 -29.027 1.00 0.00 C ATOM 1019 OG SER A 47 14.001 16.398 -29.052 1.00 0.00 O ATOM 0 H SER A 47 12.607 15.450 -27.364 1.00 0.00 H new ATOM 0 HA SER A 47 10.887 17.536 -28.628 1.00 0.00 H new ATOM 0 HB2 SER A 47 12.976 17.938 -29.979 1.00 0.00 H new ATOM 0 HB3 SER A 47 13.227 18.145 -28.257 1.00 0.00 H new ATOM 0 HG SER A 47 14.874 16.807 -29.230 1.00 0.00 H new ATOM 1020 N LEU A 48 11.017 16.408 -31.098 1.00 0.00 N ATOM 1021 CA LEU A 48 10.644 15.543 -32.264 1.00 0.00 C ATOM 1022 C LEU A 48 11.875 14.753 -32.732 1.00 0.00 C ATOM 1023 O LEU A 48 11.776 13.572 -33.062 1.00 0.00 O ATOM 1024 CB LEU A 48 10.125 16.401 -33.425 1.00 0.00 C ATOM 1025 CG LEU A 48 9.095 15.606 -34.233 1.00 0.00 C ATOM 1026 CD1 LEU A 48 7.986 16.545 -34.712 1.00 0.00 C ATOM 1027 CD2 LEU A 48 9.778 14.966 -35.444 1.00 0.00 C ATOM 0 H LEU A 48 11.060 17.409 -31.291 1.00 0.00 H new ATOM 0 HA LEU A 48 9.858 14.856 -31.951 1.00 0.00 H new ATOM 0 HB2 LEU A 48 9.673 17.315 -33.041 1.00 0.00 H new ATOM 0 HB3 LEU A 48 10.953 16.700 -34.067 1.00 0.00 H new ATOM 0 HG LEU A 48 8.665 14.826 -33.604 1.00 0.00 H new ATOM 0 HD11 LEU A 48 7.253 15.979 -35.287 1.00 0.00 H new ATOM 0 HD12 LEU A 48 7.498 17.001 -33.851 1.00 0.00 H new ATOM 0 HD13 LEU A 48 8.416 17.325 -35.340 1.00 0.00 H new ATOM 0 HD21 LEU A 48 9.045 14.400 -36.019 1.00 0.00 H new ATOM 0 HD22 LEU A 48 10.209 15.745 -36.073 1.00 0.00 H new ATOM 0 HD23 LEU A 48 10.568 14.296 -35.104 1.00 0.00 H new ATOM 1028 N LYS A 49 13.035 15.374 -32.775 1.00 0.00 N ATOM 1029 CA LYS A 49 14.258 14.635 -33.231 1.00 0.00 C ATOM 1030 C LYS A 49 14.604 13.530 -32.220 1.00 0.00 C ATOM 1031 O LYS A 49 15.011 12.435 -32.603 1.00 0.00 O ATOM 1032 CB LYS A 49 15.448 15.595 -33.355 1.00 0.00 C ATOM 1033 CG LYS A 49 15.163 16.625 -34.450 1.00 0.00 C ATOM 1034 CD LYS A 49 16.167 17.775 -34.343 1.00 0.00 C ATOM 1035 CE LYS A 49 17.548 17.291 -34.790 1.00 0.00 C ATOM 1036 NZ LYS A 49 17.706 17.528 -36.253 1.00 0.00 N ATOM 0 H LYS A 49 13.185 16.349 -32.517 1.00 0.00 H new ATOM 0 HA LYS A 49 14.053 14.193 -34.206 1.00 0.00 H new ATOM 0 HB2 LYS A 49 15.623 16.099 -32.404 1.00 0.00 H new ATOM 0 HB3 LYS A 49 16.355 15.038 -33.592 1.00 0.00 H new ATOM 0 HG2 LYS A 49 15.234 16.157 -35.432 1.00 0.00 H new ATOM 0 HG3 LYS A 49 14.146 17.005 -34.351 1.00 0.00 H new ATOM 0 HD2 LYS A 49 15.845 18.612 -34.963 1.00 0.00 H new ATOM 0 HD3 LYS A 49 16.212 18.138 -33.316 1.00 0.00 H new ATOM 0 HE2 LYS A 49 18.326 17.819 -34.239 1.00 0.00 H new ATOM 0 HE3 LYS A 49 17.663 16.230 -34.568 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 18.644 17.200 -36.559 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 16.971 17.006 -36.771 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 17.613 18.545 -36.452 1.00 0.00 H new ATOM 1037 N MET A 50 14.460 13.788 -30.936 1.00 0.00 N ATOM 1038 CA MET A 50 14.794 12.742 -29.926 1.00 0.00 C ATOM 1039 C MET A 50 13.496 12.184 -29.320 1.00 0.00 C ATOM 1040 O MET A 50 13.295 12.234 -28.106 1.00 0.00 O ATOM 1041 CB MET A 50 15.657 13.357 -28.821 1.00 0.00 C ATOM 1042 CG MET A 50 16.865 14.063 -29.444 1.00 0.00 C ATOM 1043 SD MET A 50 18.314 13.826 -28.387 1.00 0.00 S ATOM 1044 CE MET A 50 18.985 12.381 -29.246 1.00 0.00 C ATOM 0 H MET A 50 14.128 14.673 -30.553 1.00 0.00 H new ATOM 0 HA MET A 50 15.345 11.933 -30.406 1.00 0.00 H new ATOM 0 HB2 MET A 50 15.069 14.067 -28.239 1.00 0.00 H new ATOM 0 HB3 MET A 50 15.992 12.581 -28.133 1.00 0.00 H new ATOM 0 HG2 MET A 50 17.059 13.664 -30.440 1.00 0.00 H new ATOM 0 HG3 MET A 50 16.657 15.127 -29.561 1.00 0.00 H new ATOM 0 HE1 MET A 50 18.905 11.505 -28.602 1.00 0.00 H new ATOM 0 HE2 MET A 50 18.422 12.209 -30.163 1.00 0.00 H new ATOM 0 HE3 MET A 50 20.032 12.557 -29.491 1.00 0.00 H new ATOM 1045 N ARG A 51 12.610 11.650 -30.133 1.00 0.00 N ATOM 1046 CA ARG A 51 11.339 11.097 -29.586 1.00 0.00 C ATOM 1047 C ARG A 51 11.420 9.564 -29.541 1.00 0.00 C ATOM 1048 O ARG A 51 12.021 8.939 -30.413 1.00 0.00 O ATOM 1049 CB ARG A 51 10.173 11.518 -30.484 1.00 0.00 C ATOM 1050 CG ARG A 51 8.918 11.723 -29.634 1.00 0.00 C ATOM 1051 CD ARG A 51 8.089 12.879 -30.204 1.00 0.00 C ATOM 1052 NE ARG A 51 8.309 14.100 -29.379 1.00 0.00 N ATOM 1053 CZ ARG A 51 7.851 14.153 -28.157 1.00 0.00 C ATOM 1054 NH1 ARG A 51 6.639 14.580 -27.932 1.00 0.00 N ATOM 1055 NH2 ARG A 51 8.607 13.778 -27.161 1.00 0.00 N ATOM 0 H ARG A 51 12.717 11.576 -31.145 1.00 0.00 H new ATOM 0 HA ARG A 51 11.182 11.481 -28.578 1.00 0.00 H new ATOM 0 HB2 ARG A 51 10.421 12.439 -31.012 1.00 0.00 H new ATOM 0 HB3 ARG A 51 9.991 10.756 -31.242 1.00 0.00 H new ATOM 0 HG2 ARG A 51 8.324 10.809 -29.620 1.00 0.00 H new ATOM 0 HG3 ARG A 51 9.197 11.937 -28.602 1.00 0.00 H new ATOM 0 HD2 ARG A 51 8.374 13.070 -31.239 1.00 0.00 H new ATOM 0 HD3 ARG A 51 7.031 12.615 -30.208 1.00 0.00 H new ATOM 0 HE ARG A 51 8.817 14.894 -29.768 1.00 0.00 H new ATOM 0 HH11 ARG A 51 6.049 14.873 -28.711 1.00 0.00 H new ATOM 0 HH12 ARG A 51 6.282 14.621 -26.977 1.00 0.00 H new ATOM 0 HH21 ARG A 51 9.554 13.444 -27.337 1.00 0.00 H new ATOM 0 HH22 ARG A 51 8.250 13.819 -26.206 1.00 0.00 H new ATOM 1056 N GLY A 52 10.829 8.941 -28.545 1.00 0.00 N ATOM 1057 CA GLY A 52 10.879 7.450 -28.460 1.00 0.00 C ATOM 1058 C GLY A 52 12.340 6.971 -28.446 1.00 0.00 C ATOM 1059 O GLY A 52 12.670 5.952 -29.049 1.00 0.00 O ATOM 0 H GLY A 52 10.317 9.402 -27.792 1.00 0.00 H new ATOM 0 HA2 GLY A 52 10.369 7.112 -27.558 1.00 0.00 H new ATOM 0 HA3 GLY A 52 10.352 7.012 -29.308 1.00 0.00 H new ATOM 1060 N GLN A 53 13.225 7.677 -27.773 1.00 0.00 N ATOM 1061 CA GLN A 53 14.655 7.237 -27.736 1.00 0.00 C ATOM 1062 C GLN A 53 15.367 7.877 -26.531 1.00 0.00 C ATOM 1063 O GLN A 53 15.007 8.972 -26.102 1.00 0.00 O ATOM 1064 CB GLN A 53 15.354 7.671 -29.026 1.00 0.00 C ATOM 1065 CG GLN A 53 15.173 9.176 -29.226 1.00 0.00 C ATOM 1066 CD GLN A 53 16.400 9.748 -29.947 1.00 0.00 C ATOM 1067 OE1 GLN A 53 17.428 9.997 -29.321 1.00 0.00 O ATOM 1068 NE2 GLN A 53 16.356 9.973 -31.237 1.00 0.00 N ATOM 0 H GLN A 53 13.018 8.530 -27.254 1.00 0.00 H new ATOM 0 HA GLN A 53 14.694 6.152 -27.643 1.00 0.00 H new ATOM 0 HB2 GLN A 53 16.415 7.425 -28.977 1.00 0.00 H new ATOM 0 HB3 GLN A 53 14.940 7.129 -29.876 1.00 0.00 H new ATOM 0 HG2 GLN A 53 14.272 9.370 -29.808 1.00 0.00 H new ATOM 0 HG3 GLN A 53 15.042 9.668 -28.262 1.00 0.00 H new ATOM 0 HE21 GLN A 53 15.506 9.768 -31.762 1.00 0.00 H new ATOM 0 HE22 GLN A 53 17.172 10.353 -31.717 1.00 0.00 H new ATOM 1069 N ALA A 54 16.363 7.222 -25.971 1.00 0.00 N ATOM 1070 CA ALA A 54 17.067 7.820 -24.796 1.00 0.00 C ATOM 1071 C ALA A 54 18.493 7.257 -24.683 1.00 0.00 C ATOM 1072 O ALA A 54 18.958 6.539 -25.564 1.00 0.00 O ATOM 1073 CB ALA A 54 16.290 7.493 -23.520 1.00 0.00 C ATOM 0 H ALA A 54 16.711 6.313 -26.275 1.00 0.00 H new ATOM 0 HA ALA A 54 17.124 8.900 -24.930 1.00 0.00 H new ATOM 0 HB1 ALA A 54 16.801 7.928 -22.661 1.00 0.00 H new ATOM 0 HB2 ALA A 54 15.284 7.906 -23.591 1.00 0.00 H new ATOM 0 HB3 ALA A 54 16.230 6.412 -23.397 1.00 0.00 H new ATOM 1074 N PHE A 55 19.198 7.569 -23.617 1.00 0.00 N ATOM 1075 CA PHE A 55 20.588 7.048 -23.458 1.00 0.00 C ATOM 1076 C PHE A 55 20.831 6.712 -21.980 1.00 0.00 C ATOM 1077 O PHE A 55 20.254 7.342 -21.095 1.00 0.00 O ATOM 1078 CB PHE A 55 21.595 8.114 -23.901 1.00 0.00 C ATOM 1079 CG PHE A 55 21.223 8.643 -25.266 1.00 0.00 C ATOM 1080 CD1 PHE A 55 20.184 9.570 -25.398 1.00 0.00 C ATOM 1081 CD2 PHE A 55 21.923 8.208 -26.398 1.00 0.00 C ATOM 1082 CE1 PHE A 55 19.844 10.064 -26.662 1.00 0.00 C ATOM 1083 CE2 PHE A 55 21.581 8.702 -27.663 1.00 0.00 C ATOM 1084 CZ PHE A 55 20.541 9.631 -27.796 1.00 0.00 C ATOM 0 H PHE A 55 18.868 8.161 -22.855 1.00 0.00 H new ATOM 0 HA PHE A 55 20.713 6.155 -24.071 1.00 0.00 H new ATOM 0 HB2 PHE A 55 21.614 8.930 -23.179 1.00 0.00 H new ATOM 0 HB3 PHE A 55 22.598 7.689 -23.928 1.00 0.00 H new ATOM 0 HD1 PHE A 55 19.644 9.904 -24.524 1.00 0.00 H new ATOM 0 HD2 PHE A 55 22.726 7.493 -26.296 1.00 0.00 H new ATOM 0 HE1 PHE A 55 19.042 10.781 -26.763 1.00 0.00 H new ATOM 0 HE2 PHE A 55 22.120 8.366 -28.537 1.00 0.00 H new ATOM 0 HZ PHE A 55 20.278 10.012 -28.771 1.00 0.00 H new ATOM 1085 N VAL A 56 21.673 5.745 -21.685 1.00 0.00 N ATOM 1086 CA VAL A 56 21.931 5.408 -20.253 1.00 0.00 C ATOM 1087 C VAL A 56 23.430 5.144 -20.044 1.00 0.00 C ATOM 1088 O VAL A 56 24.072 4.483 -20.857 1.00 0.00 O ATOM 1089 CB VAL A 56 21.113 4.172 -19.849 1.00 0.00 C ATOM 1090 CG1 VAL A 56 21.557 2.952 -20.659 1.00 0.00 C ATOM 1091 CG2 VAL A 56 21.322 3.890 -18.359 1.00 0.00 C ATOM 0 H VAL A 56 22.184 5.184 -22.367 1.00 0.00 H new ATOM 0 HA VAL A 56 21.629 6.248 -19.627 1.00 0.00 H new ATOM 0 HB VAL A 56 20.059 4.366 -20.048 1.00 0.00 H new ATOM 0 HG11 VAL A 56 20.968 2.084 -20.362 1.00 0.00 H new ATOM 0 HG12 VAL A 56 21.406 3.146 -21.721 1.00 0.00 H new ATOM 0 HG13 VAL A 56 22.613 2.756 -20.472 1.00 0.00 H new ATOM 0 HG21 VAL A 56 20.742 3.013 -18.070 1.00 0.00 H new ATOM 0 HG22 VAL A 56 22.379 3.705 -18.168 1.00 0.00 H new ATOM 0 HG23 VAL A 56 20.993 4.751 -17.776 1.00 0.00 H new ATOM 1092 N ILE A 57 24.005 5.642 -18.971 1.00 0.00 N ATOM 1093 CA ILE A 57 25.457 5.410 -18.729 1.00 0.00 C ATOM 1094 C ILE A 57 25.624 4.444 -17.552 1.00 0.00 C ATOM 1095 O ILE A 57 25.146 4.711 -16.450 1.00 0.00 O ATOM 1096 CB ILE A 57 26.139 6.740 -18.398 1.00 0.00 C ATOM 1097 CG1 ILE A 57 25.878 7.744 -19.525 1.00 0.00 C ATOM 1098 CG2 ILE A 57 27.645 6.517 -18.252 1.00 0.00 C ATOM 1099 CD1 ILE A 57 24.668 8.610 -19.169 1.00 0.00 C ATOM 0 H ILE A 57 23.529 6.196 -18.259 1.00 0.00 H new ATOM 0 HA ILE A 57 25.913 4.982 -19.622 1.00 0.00 H new ATOM 0 HB ILE A 57 25.737 7.132 -17.464 1.00 0.00 H new ATOM 0 HG12 ILE A 57 26.756 8.372 -19.677 1.00 0.00 H new ATOM 0 HG13 ILE A 57 25.698 7.216 -20.462 1.00 0.00 H new ATOM 0 HG21 ILE A 57 28.132 7.463 -18.016 1.00 0.00 H new ATOM 0 HG22 ILE A 57 27.831 5.803 -17.449 1.00 0.00 H new ATOM 0 HG23 ILE A 57 28.047 6.125 -19.186 1.00 0.00 H new ATOM 0 HD11 ILE A 57 24.483 9.324 -19.971 1.00 0.00 H new ATOM 0 HD12 ILE A 57 23.792 7.975 -19.039 1.00 0.00 H new ATOM 0 HD13 ILE A 57 24.866 9.149 -18.242 1.00 0.00 H new ATOM 1100 N PHE A 58 26.291 3.328 -17.751 1.00 0.00 N ATOM 1101 CA PHE A 58 26.475 2.369 -16.623 1.00 0.00 C ATOM 1102 C PHE A 58 27.813 2.655 -15.929 1.00 0.00 C ATOM 1103 O PHE A 58 28.729 3.206 -16.537 1.00 0.00 O ATOM 1104 CB PHE A 58 26.475 0.934 -17.152 1.00 0.00 C ATOM 1105 CG PHE A 58 25.066 0.525 -17.509 1.00 0.00 C ATOM 1106 CD1 PHE A 58 24.234 -0.057 -16.542 1.00 0.00 C ATOM 1107 CD2 PHE A 58 24.593 0.722 -18.810 1.00 0.00 C ATOM 1108 CE1 PHE A 58 22.930 -0.439 -16.880 1.00 0.00 C ATOM 1109 CE2 PHE A 58 23.290 0.339 -19.148 1.00 0.00 C ATOM 1110 CZ PHE A 58 22.459 -0.241 -18.183 1.00 0.00 C ATOM 0 H PHE A 58 26.710 3.046 -18.637 1.00 0.00 H new ATOM 0 HA PHE A 58 25.657 2.488 -15.913 1.00 0.00 H new ATOM 0 HB2 PHE A 58 27.119 0.859 -18.028 1.00 0.00 H new ATOM 0 HB3 PHE A 58 26.881 0.258 -16.399 1.00 0.00 H new ATOM 0 HD1 PHE A 58 24.599 -0.211 -15.537 1.00 0.00 H new ATOM 0 HD2 PHE A 58 25.234 1.170 -19.555 1.00 0.00 H new ATOM 0 HE1 PHE A 58 22.288 -0.886 -16.136 1.00 0.00 H new ATOM 0 HE2 PHE A 58 22.926 0.491 -20.153 1.00 0.00 H new ATOM 0 HZ PHE A 58 21.453 -0.536 -18.444 1.00 0.00 H new ATOM 1111 N LYS A 59 27.956 2.293 -14.672 1.00 0.00 N ATOM 1112 CA LYS A 59 29.255 2.553 -13.962 1.00 0.00 C ATOM 1113 C LYS A 59 30.419 1.989 -14.796 1.00 0.00 C ATOM 1114 O LYS A 59 31.477 2.607 -14.897 1.00 0.00 O ATOM 1115 CB LYS A 59 29.252 1.881 -12.582 1.00 0.00 C ATOM 1116 CG LYS A 59 30.442 2.387 -11.765 1.00 0.00 C ATOM 1117 CD LYS A 59 30.814 1.348 -10.706 1.00 0.00 C ATOM 1118 CE LYS A 59 29.714 1.283 -9.646 1.00 0.00 C ATOM 1119 NZ LYS A 59 30.091 0.290 -8.600 1.00 0.00 N ATOM 0 H LYS A 59 27.238 1.834 -14.112 1.00 0.00 H new ATOM 0 HA LYS A 59 29.376 3.629 -13.835 1.00 0.00 H new ATOM 0 HB2 LYS A 59 28.320 2.100 -12.061 1.00 0.00 H new ATOM 0 HB3 LYS A 59 29.308 0.798 -12.693 1.00 0.00 H new ATOM 0 HG2 LYS A 59 31.293 2.575 -12.420 1.00 0.00 H new ATOM 0 HG3 LYS A 59 30.192 3.335 -11.288 1.00 0.00 H new ATOM 0 HD2 LYS A 59 30.944 0.371 -11.170 1.00 0.00 H new ATOM 0 HD3 LYS A 59 31.765 1.610 -10.243 1.00 0.00 H new ATOM 0 HE2 LYS A 59 29.570 2.265 -9.195 1.00 0.00 H new ATOM 0 HE3 LYS A 59 28.767 1.001 -10.106 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 29.343 0.245 -7.878 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 30.208 -0.647 -9.037 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 30.985 0.578 -8.154 1.00 0.00 H new ATOM 1120 N GLU A 60 30.246 0.833 -15.402 1.00 0.00 N ATOM 1121 CA GLU A 60 31.341 0.252 -16.226 1.00 0.00 C ATOM 1122 C GLU A 60 30.794 -0.094 -17.619 1.00 0.00 C ATOM 1123 O GLU A 60 29.595 0.026 -17.870 1.00 0.00 O ATOM 1124 CB GLU A 60 31.871 -1.018 -15.553 1.00 0.00 C ATOM 1125 CG GLU A 60 33.397 -1.076 -15.683 1.00 0.00 C ATOM 1126 CD GLU A 60 34.040 -0.645 -14.363 1.00 0.00 C ATOM 1127 OE1 GLU A 60 33.941 -1.395 -13.406 1.00 0.00 O ATOM 1128 OE2 GLU A 60 34.621 0.428 -14.332 1.00 0.00 O ATOM 0 H GLU A 60 29.394 0.274 -15.357 1.00 0.00 H new ATOM 0 HA GLU A 60 32.152 0.974 -16.320 1.00 0.00 H new ATOM 0 HB2 GLU A 60 31.586 -1.029 -14.501 1.00 0.00 H new ATOM 0 HB3 GLU A 60 31.424 -1.899 -16.014 1.00 0.00 H new ATOM 0 HG2 GLU A 60 33.712 -2.087 -15.940 1.00 0.00 H new ATOM 0 HG3 GLU A 60 33.729 -0.424 -16.491 1.00 0.00 H new ATOM 1129 N VAL A 61 31.638 -0.522 -18.534 1.00 0.00 N ATOM 1130 CA VAL A 61 31.137 -0.871 -19.901 1.00 0.00 C ATOM 1131 C VAL A 61 30.543 -2.289 -19.891 1.00 0.00 C ATOM 1132 O VAL A 61 29.544 -2.554 -20.556 1.00 0.00 O ATOM 1133 CB VAL A 61 32.284 -0.807 -20.917 1.00 0.00 C ATOM 1134 CG1 VAL A 61 31.736 -1.055 -22.323 1.00 0.00 C ATOM 1135 CG2 VAL A 61 32.937 0.576 -20.864 1.00 0.00 C ATOM 0 H VAL A 61 32.641 -0.643 -18.393 1.00 0.00 H new ATOM 0 HA VAL A 61 30.367 -0.154 -20.186 1.00 0.00 H new ATOM 0 HB VAL A 61 33.024 -1.569 -20.675 1.00 0.00 H new ATOM 0 HG11 VAL A 61 32.552 -1.009 -23.045 1.00 0.00 H new ATOM 0 HG12 VAL A 61 31.270 -2.040 -22.364 1.00 0.00 H new ATOM 0 HG13 VAL A 61 30.995 -0.293 -22.564 1.00 0.00 H new ATOM 0 HG21 VAL A 61 33.752 0.621 -21.586 1.00 0.00 H new ATOM 0 HG22 VAL A 61 32.196 1.338 -21.105 1.00 0.00 H new ATOM 0 HG23 VAL A 61 33.329 0.755 -19.863 1.00 0.00 H new ATOM 1136 N SER A 62 31.132 -3.209 -19.159 1.00 0.00 N ATOM 1137 CA SER A 62 30.579 -4.605 -19.129 1.00 0.00 C ATOM 1138 C SER A 62 29.135 -4.602 -18.591 1.00 0.00 C ATOM 1139 O SER A 62 28.325 -5.433 -18.990 1.00 0.00 O ATOM 1140 CB SER A 62 31.443 -5.501 -18.232 1.00 0.00 C ATOM 1141 OG SER A 62 31.098 -5.275 -16.871 1.00 0.00 O ATOM 0 H SER A 62 31.963 -3.057 -18.587 1.00 0.00 H new ATOM 0 HA SER A 62 30.585 -4.992 -20.148 1.00 0.00 H new ATOM 0 HB2 SER A 62 31.289 -6.549 -18.489 1.00 0.00 H new ATOM 0 HB3 SER A 62 32.499 -5.285 -18.392 1.00 0.00 H new ATOM 0 HG SER A 62 31.647 -5.847 -16.295 1.00 0.00 H new ATOM 1142 N SER A 63 28.791 -3.703 -17.690 1.00 0.00 N ATOM 1143 CA SER A 63 27.390 -3.696 -17.143 1.00 0.00 C ATOM 1144 C SER A 63 26.376 -3.356 -18.253 1.00 0.00 C ATOM 1145 O SER A 63 25.260 -3.876 -18.258 1.00 0.00 O ATOM 1146 CB SER A 63 27.264 -2.664 -16.017 1.00 0.00 C ATOM 1147 OG SER A 63 28.491 -2.594 -15.303 1.00 0.00 O ATOM 0 H SER A 63 29.410 -2.984 -17.315 1.00 0.00 H new ATOM 0 HA SER A 63 27.176 -4.691 -16.752 1.00 0.00 H new ATOM 0 HB2 SER A 63 27.015 -1.687 -16.430 1.00 0.00 H new ATOM 0 HB3 SER A 63 26.453 -2.941 -15.343 1.00 0.00 H new ATOM 0 HG SER A 63 28.413 -1.933 -14.583 1.00 0.00 H new ATOM 1148 N ALA A 64 26.728 -2.508 -19.200 1.00 0.00 N ATOM 1149 CA ALA A 64 25.756 -2.174 -20.288 1.00 0.00 C ATOM 1150 C ALA A 64 25.647 -3.368 -21.241 1.00 0.00 C ATOM 1151 O ALA A 64 24.571 -3.655 -21.767 1.00 0.00 O ATOM 1152 CB ALA A 64 26.220 -0.931 -21.069 1.00 0.00 C ATOM 0 H ALA A 64 27.633 -2.042 -19.263 1.00 0.00 H new ATOM 0 HA ALA A 64 24.784 -1.958 -19.843 1.00 0.00 H new ATOM 0 HB1 ALA A 64 25.500 -0.705 -21.855 1.00 0.00 H new ATOM 0 HB2 ALA A 64 26.294 -0.081 -20.390 1.00 0.00 H new ATOM 0 HB3 ALA A 64 27.195 -1.125 -21.515 1.00 0.00 H new ATOM 1153 N THR A 65 26.732 -4.074 -21.483 1.00 0.00 N ATOM 1154 CA THR A 65 26.655 -5.241 -22.407 1.00 0.00 C ATOM 1155 C THR A 65 25.672 -6.283 -21.851 1.00 0.00 C ATOM 1156 O THR A 65 24.937 -6.914 -22.607 1.00 0.00 O ATOM 1157 CB THR A 65 28.037 -5.886 -22.585 1.00 0.00 C ATOM 1158 OG1 THR A 65 28.974 -4.892 -22.978 1.00 0.00 O ATOM 1159 CG2 THR A 65 27.970 -6.977 -23.659 1.00 0.00 C ATOM 0 H THR A 65 27.652 -3.891 -21.083 1.00 0.00 H new ATOM 0 HA THR A 65 26.305 -4.888 -23.377 1.00 0.00 H new ATOM 0 HB THR A 65 28.349 -6.333 -21.641 1.00 0.00 H new ATOM 0 HG1 THR A 65 28.689 -4.491 -23.826 1.00 0.00 H new ATOM 0 HG21 THR A 65 28.954 -7.430 -23.780 1.00 0.00 H new ATOM 0 HG22 THR A 65 27.253 -7.741 -23.357 1.00 0.00 H new ATOM 0 HG23 THR A 65 27.655 -6.537 -24.605 1.00 0.00 H new ATOM 1160 N ASN A 66 25.635 -6.481 -20.549 1.00 0.00 N ATOM 1161 CA ASN A 66 24.683 -7.487 -19.979 1.00 0.00 C ATOM 1162 C ASN A 66 23.246 -6.952 -20.086 1.00 0.00 C ATOM 1163 O ASN A 66 22.313 -7.711 -20.334 1.00 0.00 O ATOM 1164 CB ASN A 66 25.015 -7.760 -18.506 1.00 0.00 C ATOM 1165 CG ASN A 66 26.475 -8.215 -18.386 1.00 0.00 C ATOM 1166 OD1 ASN A 66 26.885 -9.168 -19.045 1.00 0.00 O ATOM 1167 ND2 ASN A 66 27.291 -7.586 -17.577 1.00 0.00 N ATOM 0 H ASN A 66 26.217 -5.994 -19.867 1.00 0.00 H new ATOM 0 HA ASN A 66 24.774 -8.416 -20.542 1.00 0.00 H new ATOM 0 HB2 ASN A 66 24.854 -6.860 -17.913 1.00 0.00 H new ATOM 0 HB3 ASN A 66 24.350 -8.527 -18.108 1.00 0.00 H new ATOM 0 HD21 ASN A 66 28.262 -7.888 -17.496 1.00 0.00 H new ATOM 0 HD22 ASN A 66 26.955 -6.795 -17.028 1.00 0.00 H new ATOM 1168 N ALA A 67 23.038 -5.663 -19.906 1.00 0.00 N ATOM 1169 CA ALA A 67 21.646 -5.114 -20.010 1.00 0.00 C ATOM 1170 C ALA A 67 21.179 -5.036 -21.483 1.00 0.00 C ATOM 1171 O ALA A 67 19.996 -4.816 -21.742 1.00 0.00 O ATOM 1172 CB ALA A 67 21.593 -3.707 -19.400 1.00 0.00 C ATOM 0 H ALA A 67 23.763 -4.978 -19.694 1.00 0.00 H new ATOM 0 HA ALA A 67 20.983 -5.788 -19.467 1.00 0.00 H new ATOM 0 HB1 ALA A 67 20.579 -3.314 -19.479 1.00 0.00 H new ATOM 0 HB2 ALA A 67 21.883 -3.754 -18.350 1.00 0.00 H new ATOM 0 HB3 ALA A 67 22.279 -3.052 -19.937 1.00 0.00 H new ATOM 1173 N LEU A 68 22.059 -5.192 -22.459 1.00 0.00 N ATOM 1174 CA LEU A 68 21.607 -5.100 -23.883 1.00 0.00 C ATOM 1175 C LEU A 68 21.268 -6.497 -24.431 1.00 0.00 C ATOM 1176 O LEU A 68 20.295 -6.660 -25.166 1.00 0.00 O ATOM 1177 CB LEU A 68 22.722 -4.478 -24.734 1.00 0.00 C ATOM 1178 CG LEU A 68 22.122 -3.847 -26.003 1.00 0.00 C ATOM 1179 CD1 LEU A 68 22.554 -2.381 -26.104 1.00 0.00 C ATOM 1180 CD2 LEU A 68 22.616 -4.607 -27.239 1.00 0.00 C ATOM 0 H LEU A 68 23.054 -5.376 -22.327 1.00 0.00 H new ATOM 0 HA LEU A 68 20.714 -4.477 -23.928 1.00 0.00 H new ATOM 0 HB2 LEU A 68 23.253 -3.721 -24.157 1.00 0.00 H new ATOM 0 HB3 LEU A 68 23.452 -5.240 -25.007 1.00 0.00 H new ATOM 0 HG LEU A 68 21.035 -3.903 -25.951 1.00 0.00 H new ATOM 0 HD11 LEU A 68 22.128 -1.937 -27.004 1.00 0.00 H new ATOM 0 HD12 LEU A 68 22.201 -1.836 -25.228 1.00 0.00 H new ATOM 0 HD13 LEU A 68 23.641 -2.325 -26.152 1.00 0.00 H new ATOM 0 HD21 LEU A 68 22.190 -4.158 -28.136 1.00 0.00 H new ATOM 0 HD22 LEU A 68 23.704 -4.554 -27.288 1.00 0.00 H new ATOM 0 HD23 LEU A 68 22.306 -5.650 -27.173 1.00 0.00 H new ATOM 1181 N ARG A 69 22.043 -7.508 -24.102 1.00 0.00 N ATOM 1182 CA ARG A 69 21.738 -8.878 -24.630 1.00 0.00 C ATOM 1183 C ARG A 69 20.545 -9.467 -23.866 1.00 0.00 C ATOM 1184 O ARG A 69 19.623 -10.021 -24.464 1.00 0.00 O ATOM 1185 CB ARG A 69 22.955 -9.797 -24.460 1.00 0.00 C ATOM 1186 CG ARG A 69 24.164 -9.174 -25.159 1.00 0.00 C ATOM 1187 CD ARG A 69 25.446 -9.611 -24.452 1.00 0.00 C ATOM 1188 NE ARG A 69 25.931 -10.888 -25.046 1.00 0.00 N ATOM 1189 CZ ARG A 69 27.064 -10.917 -25.694 1.00 0.00 C ATOM 1190 NH1 ARG A 69 27.217 -10.195 -26.771 1.00 0.00 N ATOM 1191 NH2 ARG A 69 28.042 -11.668 -25.267 1.00 0.00 N ATOM 0 H ARG A 69 22.863 -7.445 -23.499 1.00 0.00 H new ATOM 0 HA ARG A 69 21.496 -8.802 -25.690 1.00 0.00 H new ATOM 0 HB2 ARG A 69 23.169 -9.943 -23.401 1.00 0.00 H new ATOM 0 HB3 ARG A 69 22.744 -10.780 -24.881 1.00 0.00 H new ATOM 0 HG2 ARG A 69 24.190 -9.481 -26.205 1.00 0.00 H new ATOM 0 HG3 ARG A 69 24.083 -8.087 -25.148 1.00 0.00 H new ATOM 0 HD2 ARG A 69 26.209 -8.839 -24.550 1.00 0.00 H new ATOM 0 HD3 ARG A 69 25.260 -9.741 -23.386 1.00 0.00 H new ATOM 0 HE ARG A 69 25.378 -11.739 -24.947 1.00 0.00 H new ATOM 0 HH11 ARG A 69 26.452 -9.609 -27.105 1.00 0.00 H new ATOM 0 HH12 ARG A 69 28.102 -10.217 -27.278 1.00 0.00 H new ATOM 0 HH21 ARG A 69 27.922 -12.233 -24.426 1.00 0.00 H new ATOM 0 HH22 ARG A 69 28.927 -11.690 -25.774 1.00 0.00 H new ATOM 1192 N SER A 70 20.536 -9.357 -22.559 1.00 0.00 N ATOM 1193 CA SER A 70 19.388 -9.913 -21.771 1.00 0.00 C ATOM 1194 C SER A 70 18.102 -9.144 -22.116 1.00 0.00 C ATOM 1195 O SER A 70 17.021 -9.728 -22.169 1.00 0.00 O ATOM 1196 CB SER A 70 19.662 -9.786 -20.266 1.00 0.00 C ATOM 1197 OG SER A 70 20.837 -10.517 -19.940 1.00 0.00 O ATOM 0 H SER A 70 21.267 -8.910 -22.006 1.00 0.00 H new ATOM 0 HA SER A 70 19.269 -10.966 -22.026 1.00 0.00 H new ATOM 0 HB2 SER A 70 19.785 -8.738 -19.994 1.00 0.00 H new ATOM 0 HB3 SER A 70 18.814 -10.166 -19.697 1.00 0.00 H new ATOM 0 HG SER A 70 21.612 -9.917 -19.960 1.00 0.00 H new ATOM 1198 N MET A 71 18.185 -7.850 -22.354 1.00 0.00 N ATOM 1199 CA MET A 71 16.954 -7.077 -22.692 1.00 0.00 C ATOM 1200 C MET A 71 16.907 -6.802 -24.205 1.00 0.00 C ATOM 1201 O MET A 71 16.443 -5.747 -24.634 1.00 0.00 O ATOM 1202 CB MET A 71 16.964 -5.748 -21.934 1.00 0.00 C ATOM 1203 CG MET A 71 17.077 -6.018 -20.432 1.00 0.00 C ATOM 1204 SD MET A 71 15.459 -6.503 -19.782 1.00 0.00 S ATOM 1205 CE MET A 71 14.668 -4.880 -19.908 1.00 0.00 C ATOM 0 H MET A 71 19.047 -7.306 -22.328 1.00 0.00 H new ATOM 0 HA MET A 71 16.077 -7.657 -22.406 1.00 0.00 H new ATOM 0 HB2 MET A 71 17.800 -5.133 -22.268 1.00 0.00 H new ATOM 0 HB3 MET A 71 16.053 -5.189 -22.146 1.00 0.00 H new ATOM 0 HG2 MET A 71 17.806 -6.807 -20.247 1.00 0.00 H new ATOM 0 HG3 MET A 71 17.435 -5.126 -19.917 1.00 0.00 H new ATOM 0 HE1 MET A 71 13.913 -4.781 -19.128 1.00 0.00 H new ATOM 0 HE2 MET A 71 15.419 -4.099 -19.788 1.00 0.00 H new ATOM 0 HE3 MET A 71 14.195 -4.781 -20.885 1.00 0.00 H new ATOM 1206 N GLN A 72 17.366 -7.724 -25.028 1.00 0.00 N ATOM 1207 CA GLN A 72 17.321 -7.485 -26.506 1.00 0.00 C ATOM 1208 C GLN A 72 15.871 -7.637 -26.987 1.00 0.00 C ATOM 1209 O GLN A 72 15.373 -8.752 -27.137 1.00 0.00 O ATOM 1210 CB GLN A 72 18.213 -8.498 -27.239 1.00 0.00 C ATOM 1211 CG GLN A 72 18.209 -8.199 -28.742 1.00 0.00 C ATOM 1212 CD GLN A 72 19.488 -7.440 -29.117 1.00 0.00 C ATOM 1213 OE1 GLN A 72 20.419 -8.026 -29.667 1.00 0.00 O ATOM 1214 NE2 GLN A 72 19.592 -6.161 -28.850 1.00 0.00 N ATOM 0 H GLN A 72 17.764 -8.618 -24.742 1.00 0.00 H new ATOM 0 HA GLN A 72 17.686 -6.481 -26.721 1.00 0.00 H new ATOM 0 HB2 GLN A 72 19.231 -8.448 -26.851 1.00 0.00 H new ATOM 0 HB3 GLN A 72 17.853 -9.511 -27.059 1.00 0.00 H new ATOM 0 HG2 GLN A 72 18.146 -9.128 -29.308 1.00 0.00 H new ATOM 0 HG3 GLN A 72 17.332 -7.606 -29.003 1.00 0.00 H new ATOM 0 HE21 GLN A 72 18.822 -5.671 -28.394 1.00 0.00 H new ATOM 0 HE22 GLN A 72 20.443 -5.656 -29.098 1.00 0.00 H new ATOM 1215 N GLY A 73 15.174 -6.545 -27.219 1.00 0.00 N ATOM 1216 CA GLY A 73 13.757 -6.654 -27.671 1.00 0.00 C ATOM 1217 C GLY A 73 12.883 -7.033 -26.468 1.00 0.00 C ATOM 1218 O GLY A 73 12.391 -8.157 -26.379 1.00 0.00 O ATOM 0 H GLY A 73 15.527 -5.594 -27.114 1.00 0.00 H new ATOM 0 HA2 GLY A 73 13.423 -5.708 -28.097 1.00 0.00 H new ATOM 0 HA3 GLY A 73 13.667 -7.406 -28.455 1.00 0.00 H new ATOM 1219 N PHE A 74 12.689 -6.129 -25.531 1.00 0.00 N ATOM 1220 CA PHE A 74 11.860 -6.466 -24.337 1.00 0.00 C ATOM 1221 C PHE A 74 10.602 -5.580 -24.302 1.00 0.00 C ATOM 1222 O PHE A 74 10.510 -4.612 -25.056 1.00 0.00 O ATOM 1223 CB PHE A 74 12.685 -6.230 -23.067 1.00 0.00 C ATOM 1224 CG PHE A 74 13.227 -7.547 -22.561 1.00 0.00 C ATOM 1225 CD1 PHE A 74 13.933 -8.394 -23.425 1.00 0.00 C ATOM 1226 CD2 PHE A 74 13.023 -7.921 -21.228 1.00 0.00 C ATOM 1227 CE1 PHE A 74 14.435 -9.613 -22.955 1.00 0.00 C ATOM 1228 CE2 PHE A 74 13.525 -9.141 -20.758 1.00 0.00 C ATOM 1229 CZ PHE A 74 14.232 -9.987 -21.622 1.00 0.00 C ATOM 0 H PHE A 74 13.068 -5.182 -25.546 1.00 0.00 H new ATOM 0 HA PHE A 74 11.557 -7.512 -24.393 1.00 0.00 H new ATOM 0 HB2 PHE A 74 13.506 -5.544 -23.277 1.00 0.00 H new ATOM 0 HB3 PHE A 74 12.066 -5.762 -22.301 1.00 0.00 H new ATOM 0 HD1 PHE A 74 14.090 -8.106 -24.454 1.00 0.00 H new ATOM 0 HD2 PHE A 74 12.478 -7.269 -20.562 1.00 0.00 H new ATOM 0 HE1 PHE A 74 14.979 -10.265 -23.622 1.00 0.00 H new ATOM 0 HE2 PHE A 74 13.367 -9.430 -19.729 1.00 0.00 H new ATOM 0 HZ PHE A 74 14.620 -10.927 -21.260 1.00 0.00 H new ATOM 1230 N PRO A 75 9.658 -5.921 -23.436 1.00 0.00 N ATOM 1231 CA PRO A 75 8.404 -5.158 -23.304 1.00 0.00 C ATOM 1232 C PRO A 75 8.625 -3.890 -22.462 1.00 0.00 C ATOM 1233 O PRO A 75 8.820 -3.963 -21.249 1.00 0.00 O ATOM 1234 CB PRO A 75 7.463 -6.125 -22.581 1.00 0.00 C ATOM 1235 CG PRO A 75 8.363 -7.141 -21.839 1.00 0.00 C ATOM 1236 CD PRO A 75 9.742 -7.090 -22.521 1.00 0.00 C ATOM 0 HA PRO A 75 8.012 -4.823 -24.264 1.00 0.00 H new ATOM 0 HB2 PRO A 75 6.821 -5.591 -21.880 1.00 0.00 H new ATOM 0 HB3 PRO A 75 6.808 -6.632 -23.290 1.00 0.00 H new ATOM 0 HG2 PRO A 75 8.444 -6.887 -20.782 1.00 0.00 H new ATOM 0 HG3 PRO A 75 7.941 -8.144 -21.894 1.00 0.00 H new ATOM 0 HD2 PRO A 75 10.542 -6.967 -21.791 1.00 0.00 H new ATOM 0 HD3 PRO A 75 9.949 -8.009 -23.069 1.00 0.00 H new ATOM 1237 N PHE A 76 8.588 -2.727 -23.074 1.00 0.00 N ATOM 1238 CA PHE A 76 8.783 -1.468 -22.309 1.00 0.00 C ATOM 1239 C PHE A 76 7.654 -0.499 -22.683 1.00 0.00 C ATOM 1240 O PHE A 76 7.488 -0.155 -23.852 1.00 0.00 O ATOM 1241 CB PHE A 76 10.140 -0.857 -22.675 1.00 0.00 C ATOM 1242 CG PHE A 76 10.683 -0.057 -21.511 1.00 0.00 C ATOM 1243 CD1 PHE A 76 10.719 -0.615 -20.226 1.00 0.00 C ATOM 1244 CD2 PHE A 76 11.158 1.244 -21.720 1.00 0.00 C ATOM 1245 CE1 PHE A 76 11.226 0.128 -19.154 1.00 0.00 C ATOM 1246 CE2 PHE A 76 11.665 1.987 -20.647 1.00 0.00 C ATOM 1247 CZ PHE A 76 11.699 1.429 -19.365 1.00 0.00 C ATOM 0 H PHE A 76 8.430 -2.604 -24.074 1.00 0.00 H new ATOM 0 HA PHE A 76 8.763 -1.665 -21.237 1.00 0.00 H new ATOM 0 HB2 PHE A 76 10.842 -1.646 -22.942 1.00 0.00 H new ATOM 0 HB3 PHE A 76 10.034 -0.215 -23.549 1.00 0.00 H new ATOM 0 HD1 PHE A 76 10.355 -1.619 -20.063 1.00 0.00 H new ATOM 0 HD2 PHE A 76 11.133 1.675 -22.710 1.00 0.00 H new ATOM 0 HE1 PHE A 76 11.252 -0.302 -18.164 1.00 0.00 H new ATOM 0 HE2 PHE A 76 12.030 2.991 -20.809 1.00 0.00 H new ATOM 0 HZ PHE A 76 12.090 2.002 -18.537 1.00 0.00 H new ATOM 1248 N TYR A 77 6.864 -0.064 -21.726 1.00 0.00 N ATOM 1249 CA TYR A 77 5.745 0.869 -22.046 1.00 0.00 C ATOM 1250 C TYR A 77 4.779 0.208 -23.044 1.00 0.00 C ATOM 1251 O TYR A 77 4.275 0.858 -23.958 1.00 0.00 O ATOM 1252 CB TYR A 77 6.304 2.158 -22.639 1.00 0.00 C ATOM 1253 CG TYR A 77 6.955 2.940 -21.533 1.00 0.00 C ATOM 1254 CD1 TYR A 77 8.132 2.470 -20.953 1.00 0.00 C ATOM 1255 CD2 TYR A 77 6.374 4.123 -21.081 1.00 0.00 C ATOM 1256 CE1 TYR A 77 8.735 3.186 -19.917 1.00 0.00 C ATOM 1257 CE2 TYR A 77 6.972 4.848 -20.044 1.00 0.00 C ATOM 1258 CZ TYR A 77 8.157 4.378 -19.461 1.00 0.00 C ATOM 1259 OH TYR A 77 8.748 5.083 -18.434 1.00 0.00 O ATOM 0 H TYR A 77 6.950 -0.317 -20.742 1.00 0.00 H new ATOM 0 HA TYR A 77 5.201 1.103 -21.131 1.00 0.00 H new ATOM 0 HB2 TYR A 77 7.028 1.933 -23.423 1.00 0.00 H new ATOM 0 HB3 TYR A 77 5.507 2.742 -23.099 1.00 0.00 H new ATOM 0 HD1 TYR A 77 8.578 1.551 -21.305 1.00 0.00 H new ATOM 0 HD2 TYR A 77 5.460 4.481 -21.532 1.00 0.00 H new ATOM 0 HE1 TYR A 77 9.647 2.821 -19.467 1.00 0.00 H new ATOM 0 HE2 TYR A 77 6.522 5.766 -19.694 1.00 0.00 H new ATOM 0 HH TYR A 77 8.648 4.585 -17.596 1.00 0.00 H new ATOM 1260 N ASP A 78 4.499 -1.069 -22.885 1.00 0.00 N ATOM 1261 CA ASP A 78 3.558 -1.752 -23.821 1.00 0.00 C ATOM 1262 C ASP A 78 4.041 -1.588 -25.272 1.00 0.00 C ATOM 1263 O ASP A 78 3.395 -0.918 -26.078 1.00 0.00 O ATOM 1264 CB ASP A 78 2.163 -1.138 -23.673 1.00 0.00 C ATOM 1265 CG ASP A 78 1.706 -1.255 -22.218 1.00 0.00 C ATOM 1266 OD1 ASP A 78 1.124 -2.273 -21.880 1.00 0.00 O ATOM 1267 OD2 ASP A 78 1.945 -0.325 -21.467 1.00 0.00 O ATOM 0 H ASP A 78 4.883 -1.661 -22.148 1.00 0.00 H new ATOM 0 HA ASP A 78 3.521 -2.814 -23.579 1.00 0.00 H new ATOM 0 HB2 ASP A 78 2.181 -0.091 -23.977 1.00 0.00 H new ATOM 0 HB3 ASP A 78 1.458 -1.648 -24.329 1.00 0.00 H new ATOM 1268 N LYS A 79 5.157 -2.189 -25.632 1.00 0.00 N ATOM 1269 CA LYS A 79 5.652 -2.056 -27.043 1.00 0.00 C ATOM 1270 C LYS A 79 6.984 -2.821 -27.210 1.00 0.00 C ATOM 1271 O LYS A 79 7.771 -2.882 -26.272 1.00 0.00 O ATOM 1272 CB LYS A 79 5.874 -0.570 -27.369 1.00 0.00 C ATOM 1273 CG LYS A 79 4.853 -0.105 -28.413 1.00 0.00 C ATOM 1274 CD LYS A 79 5.425 1.080 -29.193 1.00 0.00 C ATOM 1275 CE LYS A 79 4.750 1.167 -30.562 1.00 0.00 C ATOM 1276 NZ LYS A 79 5.202 0.029 -31.412 1.00 0.00 N ATOM 0 H LYS A 79 5.739 -2.758 -25.017 1.00 0.00 H new ATOM 0 HA LYS A 79 4.910 -2.476 -27.722 1.00 0.00 H new ATOM 0 HB2 LYS A 79 5.778 0.028 -26.463 1.00 0.00 H new ATOM 0 HB3 LYS A 79 6.886 -0.419 -27.745 1.00 0.00 H new ATOM 0 HG2 LYS A 79 4.616 -0.922 -29.094 1.00 0.00 H new ATOM 0 HG3 LYS A 79 3.922 0.183 -27.924 1.00 0.00 H new ATOM 0 HD2 LYS A 79 5.265 2.005 -28.638 1.00 0.00 H new ATOM 0 HD3 LYS A 79 6.502 0.963 -29.314 1.00 0.00 H new ATOM 0 HE2 LYS A 79 3.666 1.141 -30.447 1.00 0.00 H new ATOM 0 HE3 LYS A 79 4.997 2.114 -31.042 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 5.175 0.311 -32.413 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 6.174 -0.233 -31.152 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 4.573 -0.786 -31.265 1.00 0.00 H new ATOM 1277 N PRO A 80 7.224 -3.385 -28.382 1.00 0.00 N ATOM 1278 CA PRO A 80 8.469 -4.131 -28.638 1.00 0.00 C ATOM 1279 C PRO A 80 9.622 -3.150 -28.897 1.00 0.00 C ATOM 1280 O PRO A 80 9.623 -2.438 -29.900 1.00 0.00 O ATOM 1281 CB PRO A 80 8.153 -4.947 -29.894 1.00 0.00 C ATOM 1282 CG PRO A 80 6.990 -4.220 -30.608 1.00 0.00 C ATOM 1283 CD PRO A 80 6.304 -3.339 -29.548 1.00 0.00 C ATOM 0 HA PRO A 80 8.777 -4.758 -27.802 1.00 0.00 H new ATOM 0 HB2 PRO A 80 9.026 -5.014 -30.543 1.00 0.00 H new ATOM 0 HB3 PRO A 80 7.871 -5.967 -29.633 1.00 0.00 H new ATOM 0 HG2 PRO A 80 7.361 -3.614 -31.434 1.00 0.00 H new ATOM 0 HG3 PRO A 80 6.286 -4.937 -31.030 1.00 0.00 H new ATOM 0 HD2 PRO A 80 6.167 -2.319 -29.907 1.00 0.00 H new ATOM 0 HD3 PRO A 80 5.316 -3.722 -29.291 1.00 0.00 H new ATOM 1284 N MET A 81 10.603 -3.088 -28.020 1.00 0.00 N ATOM 1285 CA MET A 81 11.732 -2.138 -28.248 1.00 0.00 C ATOM 1286 C MET A 81 13.070 -2.893 -28.258 1.00 0.00 C ATOM 1287 O MET A 81 13.394 -3.624 -27.322 1.00 0.00 O ATOM 1288 CB MET A 81 11.749 -1.067 -27.149 1.00 0.00 C ATOM 1289 CG MET A 81 11.693 -1.722 -25.766 1.00 0.00 C ATOM 1290 SD MET A 81 12.713 -0.769 -24.611 1.00 0.00 S ATOM 1291 CE MET A 81 13.670 -2.153 -23.944 1.00 0.00 C ATOM 0 H MET A 81 10.666 -3.648 -27.170 1.00 0.00 H new ATOM 0 HA MET A 81 11.591 -1.656 -29.215 1.00 0.00 H new ATOM 0 HB2 MET A 81 12.651 -0.462 -27.236 1.00 0.00 H new ATOM 0 HB3 MET A 81 10.901 -0.394 -27.275 1.00 0.00 H new ATOM 0 HG2 MET A 81 10.663 -1.763 -25.412 1.00 0.00 H new ATOM 0 HG3 MET A 81 12.051 -2.750 -25.823 1.00 0.00 H new ATOM 0 HE1 MET A 81 14.374 -1.783 -23.199 1.00 0.00 H new ATOM 0 HE2 MET A 81 12.995 -2.872 -23.479 1.00 0.00 H new ATOM 0 HE3 MET A 81 14.218 -2.639 -24.751 1.00 0.00 H new ATOM 1292 N ARG A 82 13.863 -2.728 -29.297 1.00 0.00 N ATOM 1293 CA ARG A 82 15.178 -3.429 -29.352 1.00 0.00 C ATOM 1294 C ARG A 82 16.266 -2.478 -28.844 1.00 0.00 C ATOM 1295 O ARG A 82 16.189 -1.268 -29.053 1.00 0.00 O ATOM 1296 CB ARG A 82 15.487 -3.841 -30.794 1.00 0.00 C ATOM 1297 CG ARG A 82 14.770 -5.153 -31.116 1.00 0.00 C ATOM 1298 CD ARG A 82 15.691 -6.332 -30.797 1.00 0.00 C ATOM 1299 NE ARG A 82 16.960 -6.193 -31.566 1.00 0.00 N ATOM 1300 CZ ARG A 82 16.951 -6.308 -32.865 1.00 0.00 C ATOM 1301 NH1 ARG A 82 16.484 -7.391 -33.422 1.00 0.00 N ATOM 1302 NH2 ARG A 82 17.409 -5.337 -33.609 1.00 0.00 N ATOM 0 H ARG A 82 13.651 -2.139 -30.103 1.00 0.00 H new ATOM 0 HA ARG A 82 15.145 -4.323 -28.729 1.00 0.00 H new ATOM 0 HB2 ARG A 82 15.165 -3.060 -31.483 1.00 0.00 H new ATOM 0 HB3 ARG A 82 16.562 -3.960 -30.927 1.00 0.00 H new ATOM 0 HG2 ARG A 82 13.851 -5.229 -30.535 1.00 0.00 H new ATOM 0 HG3 ARG A 82 14.485 -5.175 -32.168 1.00 0.00 H new ATOM 0 HD2 ARG A 82 15.902 -6.363 -29.728 1.00 0.00 H new ATOM 0 HD3 ARG A 82 15.199 -7.271 -31.052 1.00 0.00 H new ATOM 0 HE ARG A 82 17.835 -6.008 -31.076 1.00 0.00 H new ATOM 0 HH11 ARG A 82 16.125 -8.149 -32.841 1.00 0.00 H new ATOM 0 HH12 ARG A 82 16.477 -7.480 -34.438 1.00 0.00 H new ATOM 0 HH21 ARG A 82 17.773 -4.489 -33.174 1.00 0.00 H new ATOM 0 HH22 ARG A 82 17.402 -5.426 -34.625 1.00 0.00 H new ATOM 1303 N ILE A 83 17.275 -2.987 -28.171 1.00 0.00 N ATOM 1304 CA ILE A 83 18.344 -2.088 -27.652 1.00 0.00 C ATOM 1305 C ILE A 83 19.614 -2.220 -28.506 1.00 0.00 C ATOM 1306 O ILE A 83 20.029 -3.322 -28.858 1.00 0.00 O ATOM 1307 CB ILE A 83 18.668 -2.461 -26.206 1.00 0.00 C ATOM 1308 CG1 ILE A 83 17.382 -2.442 -25.376 1.00 0.00 C ATOM 1309 CG2 ILE A 83 19.664 -1.453 -25.630 1.00 0.00 C ATOM 1310 CD1 ILE A 83 17.680 -2.945 -23.962 1.00 0.00 C ATOM 0 H ILE A 83 17.399 -3.978 -27.963 1.00 0.00 H new ATOM 0 HA ILE A 83 17.989 -1.058 -27.698 1.00 0.00 H new ATOM 0 HB ILE A 83 19.105 -3.459 -26.176 1.00 0.00 H new ATOM 0 HG12 ILE A 83 16.977 -1.431 -25.336 1.00 0.00 H new ATOM 0 HG13 ILE A 83 16.625 -3.070 -25.845 1.00 0.00 H new ATOM 0 HG21 ILE A 83 19.895 -1.719 -24.599 1.00 0.00 H new ATOM 0 HG22 ILE A 83 20.579 -1.467 -26.222 1.00 0.00 H new ATOM 0 HG23 ILE A 83 19.228 -0.454 -25.658 1.00 0.00 H new ATOM 0 HD11 ILE A 83 16.764 -2.932 -23.371 1.00 0.00 H new ATOM 0 HD12 ILE A 83 18.065 -3.964 -24.012 1.00 0.00 H new ATOM 0 HD13 ILE A 83 18.423 -2.299 -23.495 1.00 0.00 H new ATOM 1311 N GLN A 84 20.252 -1.117 -28.829 1.00 0.00 N ATOM 1312 CA GLN A 84 21.504 -1.179 -29.638 1.00 0.00 C ATOM 1313 C GLN A 84 22.518 -0.211 -29.020 1.00 0.00 C ATOM 1314 O GLN A 84 22.163 0.905 -28.666 1.00 0.00 O ATOM 1315 CB GLN A 84 21.210 -0.767 -31.082 1.00 0.00 C ATOM 1316 CG GLN A 84 20.549 0.613 -31.097 1.00 0.00 C ATOM 1317 CD GLN A 84 20.230 1.012 -32.543 1.00 0.00 C ATOM 1318 OE1 GLN A 84 20.801 0.458 -33.481 1.00 0.00 O ATOM 1319 NE2 GLN A 84 19.342 1.946 -32.783 1.00 0.00 N ATOM 0 H GLN A 84 19.955 -0.178 -28.565 1.00 0.00 H new ATOM 0 HA GLN A 84 21.902 -2.194 -29.640 1.00 0.00 H new ATOM 0 HB2 GLN A 84 22.134 -0.745 -31.660 1.00 0.00 H new ATOM 0 HB3 GLN A 84 20.556 -1.500 -31.554 1.00 0.00 H new ATOM 0 HG2 GLN A 84 19.635 0.597 -30.503 1.00 0.00 H new ATOM 0 HG3 GLN A 84 21.211 1.350 -30.643 1.00 0.00 H new ATOM 0 HE21 GLN A 84 18.866 2.408 -32.008 1.00 0.00 H new ATOM 0 HE22 GLN A 84 19.127 2.210 -33.744 1.00 0.00 H new ATOM 1320 N TYR A 85 23.765 -0.613 -28.864 1.00 0.00 N ATOM 1321 CA TYR A 85 24.790 0.301 -28.235 1.00 0.00 C ATOM 1322 C TYR A 85 24.694 1.727 -28.811 1.00 0.00 C ATOM 1323 O TYR A 85 24.105 1.944 -29.868 1.00 0.00 O ATOM 1324 CB TYR A 85 26.204 -0.233 -28.489 1.00 0.00 C ATOM 1325 CG TYR A 85 26.458 -1.443 -27.621 1.00 0.00 C ATOM 1326 CD1 TYR A 85 26.339 -1.351 -26.226 1.00 0.00 C ATOM 1327 CD2 TYR A 85 26.816 -2.658 -28.215 1.00 0.00 C ATOM 1328 CE1 TYR A 85 26.582 -2.475 -25.430 1.00 0.00 C ATOM 1329 CE2 TYR A 85 27.059 -3.781 -27.418 1.00 0.00 C ATOM 1330 CZ TYR A 85 26.942 -3.692 -26.028 1.00 0.00 C ATOM 1331 OH TYR A 85 27.188 -4.802 -25.248 1.00 0.00 O ATOM 0 H TYR A 85 24.117 -1.529 -29.143 1.00 0.00 H new ATOM 0 HA TYR A 85 24.587 0.332 -27.165 1.00 0.00 H new ATOM 0 HB2 TYR A 85 26.319 -0.498 -29.540 1.00 0.00 H new ATOM 0 HB3 TYR A 85 26.939 0.542 -28.273 1.00 0.00 H new ATOM 0 HD1 TYR A 85 26.060 -0.414 -25.768 1.00 0.00 H new ATOM 0 HD2 TYR A 85 26.905 -2.729 -29.289 1.00 0.00 H new ATOM 0 HE1 TYR A 85 26.493 -2.406 -24.356 1.00 0.00 H new ATOM 0 HE2 TYR A 85 27.337 -4.718 -27.877 1.00 0.00 H new ATOM 0 HH TYR A 85 26.446 -5.436 -25.337 1.00 0.00 H new ATOM 1332 N ALA A 86 25.267 2.703 -28.135 1.00 0.00 N ATOM 1333 CA ALA A 86 25.207 4.105 -28.651 1.00 0.00 C ATOM 1334 C ALA A 86 26.313 4.306 -29.699 1.00 0.00 C ATOM 1335 O ALA A 86 26.966 3.348 -30.111 1.00 0.00 O ATOM 1336 CB ALA A 86 25.410 5.098 -27.499 1.00 0.00 C ATOM 0 H ALA A 86 25.769 2.585 -27.255 1.00 0.00 H new ATOM 0 HA ALA A 86 24.231 4.280 -29.104 1.00 0.00 H new ATOM 0 HB1 ALA A 86 25.365 6.117 -27.884 1.00 0.00 H new ATOM 0 HB2 ALA A 86 24.627 4.957 -26.754 1.00 0.00 H new ATOM 0 HB3 ALA A 86 26.383 4.927 -27.039 1.00 0.00 H new ATOM 1337 N LYS A 87 26.547 5.526 -30.138 1.00 0.00 N ATOM 1338 CA LYS A 87 27.623 5.751 -31.152 1.00 0.00 C ATOM 1339 C LYS A 87 28.983 5.773 -30.441 1.00 0.00 C ATOM 1340 O LYS A 87 29.913 5.071 -30.835 1.00 0.00 O ATOM 1341 CB LYS A 87 27.413 7.090 -31.875 1.00 0.00 C ATOM 1342 CG LYS A 87 26.000 7.157 -32.464 1.00 0.00 C ATOM 1343 CD LYS A 87 25.815 6.049 -33.510 1.00 0.00 C ATOM 1344 CE LYS A 87 25.093 6.613 -34.738 1.00 0.00 C ATOM 1345 NZ LYS A 87 25.332 5.721 -35.908 1.00 0.00 N ATOM 0 H LYS A 87 26.044 6.362 -29.840 1.00 0.00 H new ATOM 0 HA LYS A 87 27.590 4.946 -31.886 1.00 0.00 H new ATOM 0 HB2 LYS A 87 27.564 7.915 -31.179 1.00 0.00 H new ATOM 0 HB3 LYS A 87 28.152 7.203 -32.669 1.00 0.00 H new ATOM 0 HG2 LYS A 87 25.261 7.047 -31.671 1.00 0.00 H new ATOM 0 HG3 LYS A 87 25.834 8.132 -32.922 1.00 0.00 H new ATOM 0 HD2 LYS A 87 26.785 5.644 -33.800 1.00 0.00 H new ATOM 0 HD3 LYS A 87 25.241 5.226 -33.084 1.00 0.00 H new ATOM 0 HE2 LYS A 87 24.024 6.692 -34.540 1.00 0.00 H new ATOM 0 HE3 LYS A 87 25.453 7.619 -34.955 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 24.842 6.103 -36.742 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 26.353 5.667 -36.101 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 24.968 4.769 -35.699 1.00 0.00 H new ATOM 1346 N THR A 88 29.122 6.567 -29.401 1.00 0.00 N ATOM 1347 CA THR A 88 30.420 6.628 -28.678 1.00 0.00 C ATOM 1348 C THR A 88 30.179 6.514 -27.168 1.00 0.00 C ATOM 1349 O THR A 88 29.040 6.394 -26.719 1.00 0.00 O ATOM 1350 CB THR A 88 31.105 7.959 -28.985 1.00 0.00 C ATOM 1351 OG1 THR A 88 30.196 9.024 -28.744 1.00 0.00 O ATOM 1352 CG2 THR A 88 31.534 7.971 -30.447 1.00 0.00 C ATOM 0 H THR A 88 28.389 7.171 -29.029 1.00 0.00 H new ATOM 0 HA THR A 88 31.055 5.804 -29.003 1.00 0.00 H new ATOM 0 HB THR A 88 31.980 8.082 -28.346 1.00 0.00 H new ATOM 0 HG1 THR A 88 30.634 9.879 -28.939 1.00 0.00 H new ATOM 0 HG21 THR A 88 32.024 8.918 -30.675 1.00 0.00 H new ATOM 0 HG22 THR A 88 32.228 7.150 -30.629 1.00 0.00 H new ATOM 0 HG23 THR A 88 30.658 7.854 -31.084 1.00 0.00 H new ATOM 1353 N ASP A 89 31.224 6.556 -26.371 1.00 0.00 N ATOM 1354 CA ASP A 89 31.030 6.454 -24.889 1.00 0.00 C ATOM 1355 C ASP A 89 30.301 7.710 -24.390 1.00 0.00 C ATOM 1356 O ASP A 89 29.911 8.566 -25.182 1.00 0.00 O ATOM 1357 CB ASP A 89 32.386 6.339 -24.180 1.00 0.00 C ATOM 1358 CG ASP A 89 33.189 5.191 -24.795 1.00 0.00 C ATOM 1359 OD1 ASP A 89 33.025 4.070 -24.341 1.00 0.00 O ATOM 1360 OD2 ASP A 89 33.954 5.452 -25.708 1.00 0.00 O ATOM 0 H ASP A 89 32.191 6.655 -26.679 1.00 0.00 H new ATOM 0 HA ASP A 89 30.440 5.565 -24.667 1.00 0.00 H new ATOM 0 HB2 ASP A 89 32.938 7.274 -24.274 1.00 0.00 H new ATOM 0 HB3 ASP A 89 32.237 6.163 -23.115 1.00 0.00 H new ATOM 1361 N SER A 90 30.108 7.847 -23.095 1.00 0.00 N ATOM 1362 CA SER A 90 29.405 9.057 -22.575 1.00 0.00 C ATOM 1363 C SER A 90 30.441 10.121 -22.187 1.00 0.00 C ATOM 1364 O SER A 90 31.598 9.801 -21.915 1.00 0.00 O ATOM 1365 CB SER A 90 28.571 8.684 -21.346 1.00 0.00 C ATOM 1366 OG SER A 90 27.217 8.500 -21.738 1.00 0.00 O ATOM 0 H SER A 90 30.406 7.177 -22.386 1.00 0.00 H new ATOM 0 HA SER A 90 28.747 9.452 -23.349 1.00 0.00 H new ATOM 0 HB2 SER A 90 28.958 7.772 -20.892 1.00 0.00 H new ATOM 0 HB3 SER A 90 28.641 9.469 -20.593 1.00 0.00 H new ATOM 0 HG SER A 90 27.064 7.556 -21.951 1.00 0.00 H new ATOM 1367 N ASP A 91 30.059 11.381 -22.153 1.00 0.00 N ATOM 1368 CA ASP A 91 31.043 12.442 -21.780 1.00 0.00 C ATOM 1369 C ASP A 91 31.252 12.463 -20.262 1.00 0.00 C ATOM 1370 O ASP A 91 32.340 12.800 -19.795 1.00 0.00 O ATOM 1371 CB ASP A 91 30.553 13.817 -22.252 1.00 0.00 C ATOM 1372 CG ASP A 91 31.058 14.079 -23.673 1.00 0.00 C ATOM 1373 OD1 ASP A 91 30.656 13.354 -24.567 1.00 0.00 O ATOM 1374 OD2 ASP A 91 31.839 15.002 -23.843 1.00 0.00 O ATOM 0 H ASP A 91 29.118 11.713 -22.366 1.00 0.00 H new ATOM 0 HA ASP A 91 31.991 12.217 -22.268 1.00 0.00 H new ATOM 0 HB2 ASP A 91 29.464 13.854 -22.229 1.00 0.00 H new ATOM 0 HB3 ASP A 91 30.913 14.594 -21.578 1.00 0.00 H new ATOM 1375 N ILE A 92 30.262 12.099 -19.469 1.00 0.00 N ATOM 1376 CA ILE A 92 30.484 12.097 -17.994 1.00 0.00 C ATOM 1377 C ILE A 92 31.656 11.144 -17.658 1.00 0.00 C ATOM 1378 O ILE A 92 32.332 11.331 -16.649 1.00 0.00 O ATOM 1379 CB ILE A 92 29.204 11.669 -17.252 1.00 0.00 C ATOM 1380 CG1 ILE A 92 28.864 10.211 -17.585 1.00 0.00 C ATOM 1381 CG2 ILE A 92 28.040 12.585 -17.661 1.00 0.00 C ATOM 1382 CD1 ILE A 92 27.634 9.763 -16.789 1.00 0.00 C ATOM 0 H ILE A 92 29.333 11.811 -19.778 1.00 0.00 H new ATOM 0 HA ILE A 92 30.736 13.106 -17.666 1.00 0.00 H new ATOM 0 HB ILE A 92 29.369 11.754 -16.178 1.00 0.00 H new ATOM 0 HG12 ILE A 92 28.673 10.109 -18.653 1.00 0.00 H new ATOM 0 HG13 ILE A 92 29.713 9.569 -17.350 1.00 0.00 H new ATOM 0 HG21 ILE A 92 27.135 12.281 -17.135 1.00 0.00 H new ATOM 0 HG22 ILE A 92 28.280 13.616 -17.403 1.00 0.00 H new ATOM 0 HG23 ILE A 92 27.878 12.509 -18.736 1.00 0.00 H new ATOM 0 HD11 ILE A 92 27.401 8.726 -17.033 1.00 0.00 H new ATOM 0 HD12 ILE A 92 27.841 9.847 -15.722 1.00 0.00 H new ATOM 0 HD13 ILE A 92 26.784 10.396 -17.045 1.00 0.00 H new ATOM 1383 N ILE A 93 31.943 10.149 -18.491 1.00 0.00 N ATOM 1384 CA ILE A 93 33.102 9.249 -18.187 1.00 0.00 C ATOM 1385 C ILE A 93 34.386 10.048 -18.433 1.00 0.00 C ATOM 1386 O ILE A 93 35.335 9.970 -17.664 1.00 0.00 O ATOM 1387 CB ILE A 93 33.139 7.987 -19.087 1.00 0.00 C ATOM 1388 CG1 ILE A 93 31.748 7.522 -19.575 1.00 0.00 C ATOM 1389 CG2 ILE A 93 33.786 6.845 -18.303 1.00 0.00 C ATOM 1390 CD1 ILE A 93 30.697 7.602 -18.466 1.00 0.00 C ATOM 0 H ILE A 93 31.431 9.933 -19.347 1.00 0.00 H new ATOM 0 HA ILE A 93 33.005 8.912 -17.155 1.00 0.00 H new ATOM 0 HB ILE A 93 33.711 8.254 -19.976 1.00 0.00 H new ATOM 0 HG12 ILE A 93 31.434 8.139 -20.417 1.00 0.00 H new ATOM 0 HG13 ILE A 93 31.815 6.496 -19.938 1.00 0.00 H new ATOM 0 HG21 ILE A 93 33.819 5.950 -18.924 1.00 0.00 H new ATOM 0 HG22 ILE A 93 34.800 7.127 -18.019 1.00 0.00 H new ATOM 0 HG23 ILE A 93 33.201 6.643 -17.406 1.00 0.00 H new ATOM 0 HD11 ILE A 93 29.735 7.266 -18.852 1.00 0.00 H new ATOM 0 HD12 ILE A 93 30.997 6.965 -17.634 1.00 0.00 H new ATOM 0 HD13 ILE A 93 30.610 8.632 -18.121 1.00 0.00 H new