USER MOD reduce.3.24.130724 H: found=0, std=0, add=736, rem=0, adj=18 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 -36:sc= 1.31 USER MOD Set 1.2: A 85 TYR OH : rot -36:sc= -4.16! USER MOD Set 2.1: A 14 ASN : amide:sc= -0.235 K(o=-1.1,f=-3.7!) USER MOD Set 2.2: A 84 GLN : amide:sc= -0.831 X(o=-1.1,f=-1.4) USER MOD Set 3.1: A 12 TYR OH : rot 180:sc= -0.0679 USER MOD Set 3.2: A 50 MET CE :methyl -130:sc= -2.86 (180deg=0) USER MOD Set 3.3: A 53 GLN : amide:sc= -4.05 K(o=-7,f=-18!) USER MOD Single : A 8 ASN : amide:sc= -0.0694 K(o=-0.069,f=-0.81) USER MOD Single : A 9 HIS : no HE2:sc= -3.49! C(o=-3.5!,f=-10!) USER MOD Single : A 10 THR OG1 : rot 90:sc= -1.61! USER MOD Single : A 15 ASN : amide:sc= -0.38 K(o=-0.38,f=-2.2!) USER MOD Single : A 17 ASN : amide:sc= 0 X(o=0,f=-0.093) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ -169:sc= -0.754 (180deg=-0.952) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 30 HIS : no HD1:sc= -2.25! C(o=-2.2!,f=-3.2!) USER MOD Single : A 34 SER OG : rot -65:sc= -0.52! USER MOD Single : A 38 GLN : amide:sc= 0 X(o=0,f=-0.0048) USER MOD Single : A 45 SER OG : rot -172:sc= 0.564 USER MOD Single : A 47 SER OG : rot 180:sc= -0.043 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 -118:sc= 0.0396 USER MOD Single : A 63 SER OG : rot 180:sc= 0.0233 USER MOD Single : A 66 ASN : amide:sc=-0.00929 X(o=-0.0093,f=-0.37) USER MOD Single : A 70 SER OG : rot 162:sc= 0.975 USER MOD Single : A 71 MET CE :methyl -154:sc= -0.135 (180deg=-0.756) USER MOD Single : A 72 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 77 TYR OH : rot 19:sc= -2.77! USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 THR OG1 : rot 180:sc= 0.00655 USER MOD Single : A 90 SER OG : rot -100:sc= -0.297 USER MOD ----------------------------------------------------------------- ATOM 682 N PRO A 7 31.066 -3.019 -28.930 1.00 0.00 N ATOM 683 CA PRO A 7 30.981 -2.763 -27.482 1.00 0.00 C ATOM 684 C PRO A 7 31.031 -1.253 -27.196 1.00 0.00 C ATOM 685 O PRO A 7 31.822 -0.525 -27.792 1.00 0.00 O ATOM 686 CB PRO A 7 32.216 -3.470 -26.913 1.00 0.00 C ATOM 687 CG PRO A 7 33.223 -3.600 -28.080 1.00 0.00 C ATOM 688 CD PRO A 7 32.410 -3.466 -29.381 1.00 0.00 C ATOM 0 HA PRO A 7 30.052 -3.123 -27.040 1.00 0.00 H new ATOM 0 HB2 PRO A 7 32.646 -2.898 -26.091 1.00 0.00 H new ATOM 0 HB3 PRO A 7 31.953 -4.451 -26.516 1.00 0.00 H new ATOM 0 HG2 PRO A 7 33.988 -2.826 -28.020 1.00 0.00 H new ATOM 0 HG3 PRO A 7 33.738 -4.560 -28.042 1.00 0.00 H new ATOM 0 HD2 PRO A 7 32.862 -2.743 -30.060 1.00 0.00 H new ATOM 0 HD3 PRO A 7 32.355 -4.414 -29.915 1.00 0.00 H new ATOM 689 N ASN A 8 30.202 -0.765 -26.297 1.00 0.00 N ATOM 690 CA ASN A 8 30.214 0.696 -25.989 1.00 0.00 C ATOM 691 C ASN A 8 29.859 0.915 -24.508 1.00 0.00 C ATOM 692 O ASN A 8 29.454 -0.017 -23.815 1.00 0.00 O ATOM 693 CB ASN A 8 29.187 1.411 -26.870 1.00 0.00 C ATOM 694 CG ASN A 8 29.841 1.809 -28.199 1.00 0.00 C ATOM 695 OD1 ASN A 8 29.577 1.194 -29.229 1.00 0.00 O ATOM 696 ND2 ASN A 8 30.686 2.811 -28.238 1.00 0.00 N ATOM 0 H ASN A 8 29.524 -1.315 -25.770 1.00 0.00 H new ATOM 0 HA ASN A 8 31.207 1.099 -26.186 1.00 0.00 H new ATOM 0 HB2 ASN A 8 28.333 0.759 -27.054 1.00 0.00 H new ATOM 0 HB3 ASN A 8 28.808 2.296 -26.360 1.00 0.00 H new ATOM 0 HD21 ASN A 8 31.121 3.077 -29.121 1.00 0.00 H new ATOM 0 HD22 ASN A 8 30.908 3.324 -27.385 1.00 0.00 H new ATOM 697 N HIS A 9 30.000 2.123 -24.007 1.00 0.00 N ATOM 698 CA HIS A 9 29.667 2.378 -22.572 1.00 0.00 C ATOM 699 C HIS A 9 28.215 2.877 -22.456 1.00 0.00 C ATOM 700 O HIS A 9 27.489 2.493 -21.542 1.00 0.00 O ATOM 701 CB HIS A 9 30.615 3.443 -22.006 1.00 0.00 C ATOM 702 CG HIS A 9 30.971 3.106 -20.583 1.00 0.00 C ATOM 703 ND1 HIS A 9 32.283 2.934 -20.170 1.00 0.00 N ATOM 704 CD2 HIS A 9 30.198 2.908 -19.464 1.00 0.00 C ATOM 705 CE1 HIS A 9 32.261 2.646 -18.855 1.00 0.00 C ATOM 706 NE2 HIS A 9 31.015 2.618 -18.375 1.00 0.00 N ATOM 0 H HIS A 9 30.329 2.936 -24.528 1.00 0.00 H new ATOM 0 HA HIS A 9 29.779 1.452 -22.009 1.00 0.00 H new ATOM 0 HB2 HIS A 9 31.519 3.498 -22.613 1.00 0.00 H new ATOM 0 HB3 HIS A 9 30.142 4.424 -22.049 1.00 0.00 H new ATOM 0 HD1 HIS A 9 33.114 3.012 -20.756 1.00 0.00 H new ATOM 0 HD2 HIS A 9 29.120 2.968 -19.434 1.00 0.00 H new ATOM 0 HE1 HIS A 9 33.143 2.460 -18.261 1.00 0.00 H new ATOM 707 N THR A 10 27.776 3.728 -23.359 1.00 0.00 N ATOM 708 CA THR A 10 26.375 4.242 -23.283 1.00 0.00 C ATOM 709 C THR A 10 25.490 3.464 -24.272 1.00 0.00 C ATOM 710 O THR A 10 25.784 3.412 -25.462 1.00 0.00 O ATOM 711 CB THR A 10 26.373 5.742 -23.647 1.00 0.00 C ATOM 712 OG1 THR A 10 27.125 6.480 -22.676 1.00 0.00 O ATOM 713 CG2 THR A 10 24.934 6.279 -23.715 1.00 0.00 C ATOM 0 H THR A 10 28.327 4.084 -24.140 1.00 0.00 H new ATOM 0 HA THR A 10 25.983 4.110 -22.274 1.00 0.00 H new ATOM 0 HB THR A 10 26.835 5.863 -24.627 1.00 0.00 H new ATOM 0 HG1 THR A 10 28.063 6.526 -22.955 1.00 0.00 H new ATOM 0 HG21 THR A 10 24.953 7.338 -23.973 1.00 0.00 H new ATOM 0 HG22 THR A 10 24.376 5.730 -24.474 1.00 0.00 H new ATOM 0 HG23 THR A 10 24.451 6.150 -22.746 1.00 0.00 H new ATOM 714 N ILE A 11 24.408 2.867 -23.814 1.00 0.00 N ATOM 715 CA ILE A 11 23.524 2.116 -24.758 1.00 0.00 C ATOM 716 C ILE A 11 22.486 3.080 -25.355 1.00 0.00 C ATOM 717 O ILE A 11 22.282 4.184 -24.847 1.00 0.00 O ATOM 718 CB ILE A 11 22.807 0.964 -24.035 1.00 0.00 C ATOM 719 CG1 ILE A 11 21.929 1.509 -22.902 1.00 0.00 C ATOM 720 CG2 ILE A 11 23.844 0.003 -23.455 1.00 0.00 C ATOM 721 CD1 ILE A 11 20.642 0.686 -22.810 1.00 0.00 C ATOM 0 H ILE A 11 24.106 2.869 -22.840 1.00 0.00 H new ATOM 0 HA ILE A 11 24.138 1.692 -25.553 1.00 0.00 H new ATOM 0 HB ILE A 11 22.175 0.439 -24.751 1.00 0.00 H new ATOM 0 HG12 ILE A 11 22.469 1.465 -21.956 1.00 0.00 H new ATOM 0 HG13 ILE A 11 21.691 2.557 -23.085 1.00 0.00 H new ATOM 0 HG21 ILE A 11 23.336 -0.814 -22.942 1.00 0.00 H new ATOM 0 HG22 ILE A 11 24.458 -0.400 -24.261 1.00 0.00 H new ATOM 0 HG23 ILE A 11 24.479 0.536 -22.748 1.00 0.00 H new ATOM 0 HD11 ILE A 11 20.019 1.074 -22.004 1.00 0.00 H new ATOM 0 HD12 ILE A 11 20.099 0.753 -23.753 1.00 0.00 H new ATOM 0 HD13 ILE A 11 20.890 -0.356 -22.607 1.00 0.00 H new ATOM 722 N TYR A 12 21.829 2.690 -26.425 1.00 0.00 N ATOM 723 CA TYR A 12 20.818 3.586 -27.054 1.00 0.00 C ATOM 724 C TYR A 12 19.528 2.785 -27.316 1.00 0.00 C ATOM 725 O TYR A 12 19.573 1.671 -27.834 1.00 0.00 O ATOM 726 CB TYR A 12 21.402 4.123 -28.374 1.00 0.00 C ATOM 727 CG TYR A 12 20.332 4.794 -29.211 1.00 0.00 C ATOM 728 CD1 TYR A 12 20.058 6.156 -29.043 1.00 0.00 C ATOM 729 CD2 TYR A 12 19.620 4.046 -30.155 1.00 0.00 C ATOM 730 CE1 TYR A 12 19.071 6.771 -29.824 1.00 0.00 C ATOM 731 CE2 TYR A 12 18.634 4.659 -30.935 1.00 0.00 C ATOM 732 CZ TYR A 12 18.358 6.022 -30.770 1.00 0.00 C ATOM 733 OH TYR A 12 17.383 6.629 -31.539 1.00 0.00 O ATOM 0 H TYR A 12 21.954 1.788 -26.886 1.00 0.00 H new ATOM 0 HA TYR A 12 20.579 4.423 -26.398 1.00 0.00 H new ATOM 0 HB2 TYR A 12 22.200 4.834 -28.160 1.00 0.00 H new ATOM 0 HB3 TYR A 12 21.848 3.304 -28.938 1.00 0.00 H new ATOM 0 HD1 TYR A 12 20.607 6.732 -28.312 1.00 0.00 H new ATOM 0 HD2 TYR A 12 19.832 2.995 -30.281 1.00 0.00 H new ATOM 0 HE1 TYR A 12 18.859 7.822 -29.697 1.00 0.00 H new ATOM 0 HE2 TYR A 12 18.086 4.081 -31.664 1.00 0.00 H new ATOM 0 HH TYR A 12 16.986 5.969 -32.145 1.00 0.00 H new ATOM 734 N ILE A 13 18.379 3.329 -26.976 1.00 0.00 N ATOM 735 CA ILE A 13 17.105 2.592 -27.218 1.00 0.00 C ATOM 736 C ILE A 13 16.210 3.424 -28.147 1.00 0.00 C ATOM 737 O ILE A 13 16.239 4.654 -28.111 1.00 0.00 O ATOM 738 CB ILE A 13 16.385 2.364 -25.886 1.00 0.00 C ATOM 739 CG1 ILE A 13 17.343 1.690 -24.887 1.00 0.00 C ATOM 740 CG2 ILE A 13 15.165 1.467 -26.116 1.00 0.00 C ATOM 741 CD1 ILE A 13 17.329 2.455 -23.561 1.00 0.00 C ATOM 0 H ILE A 13 18.275 4.247 -26.544 1.00 0.00 H new ATOM 0 HA ILE A 13 17.321 1.629 -27.681 1.00 0.00 H new ATOM 0 HB ILE A 13 16.061 3.322 -25.479 1.00 0.00 H new ATOM 0 HG12 ILE A 13 17.044 0.655 -24.724 1.00 0.00 H new ATOM 0 HG13 ILE A 13 18.354 1.669 -25.295 1.00 0.00 H new ATOM 0 HG21 ILE A 13 14.650 1.303 -25.169 1.00 0.00 H new ATOM 0 HG22 ILE A 13 14.486 1.949 -26.819 1.00 0.00 H new ATOM 0 HG23 ILE A 13 15.489 0.509 -26.523 1.00 0.00 H new ATOM 0 HD11 ILE A 13 18.008 1.975 -22.857 1.00 0.00 H new ATOM 0 HD12 ILE A 13 17.649 3.483 -23.731 1.00 0.00 H new ATOM 0 HD13 ILE A 13 16.319 2.453 -23.150 1.00 0.00 H new ATOM 742 N ASN A 14 15.412 2.790 -28.978 1.00 0.00 N ATOM 743 CA ASN A 14 14.525 3.565 -29.893 1.00 0.00 C ATOM 744 C ASN A 14 13.156 2.872 -29.983 1.00 0.00 C ATOM 745 O ASN A 14 12.901 1.896 -29.280 1.00 0.00 O ATOM 746 CB ASN A 14 15.170 3.647 -31.283 1.00 0.00 C ATOM 747 CG ASN A 14 15.300 2.242 -31.887 1.00 0.00 C ATOM 748 OD1 ASN A 14 15.921 1.364 -31.293 1.00 0.00 O ATOM 749 ND2 ASN A 14 14.747 1.977 -33.046 1.00 0.00 N ATOM 0 H ASN A 14 15.340 1.776 -29.058 1.00 0.00 H new ATOM 0 HA ASN A 14 14.388 4.575 -29.507 1.00 0.00 H new ATOM 0 HB2 ASN A 14 14.567 4.278 -31.936 1.00 0.00 H new ATOM 0 HB3 ASN A 14 16.153 4.112 -31.210 1.00 0.00 H new ATOM 0 HD21 ASN A 14 14.833 1.045 -33.451 1.00 0.00 H new ATOM 0 HD22 ASN A 14 14.231 2.703 -33.543 1.00 0.00 H new ATOM 750 N ASN A 15 12.263 3.354 -30.822 1.00 0.00 N ATOM 751 CA ASN A 15 10.920 2.712 -30.931 1.00 0.00 C ATOM 752 C ASN A 15 10.207 2.805 -29.574 1.00 0.00 C ATOM 753 O ASN A 15 9.597 1.842 -29.115 1.00 0.00 O ATOM 754 CB ASN A 15 11.076 1.241 -31.327 1.00 0.00 C ATOM 755 CG ASN A 15 9.705 0.665 -31.705 1.00 0.00 C ATOM 756 OD1 ASN A 15 8.775 1.414 -31.994 1.00 0.00 O ATOM 757 ND2 ASN A 15 9.523 -0.633 -31.720 1.00 0.00 N ATOM 0 H ASN A 15 12.410 4.160 -31.430 1.00 0.00 H new ATOM 0 HA ASN A 15 10.333 3.225 -31.693 1.00 0.00 H new ATOM 0 HB2 ASN A 15 11.765 1.151 -32.167 1.00 0.00 H new ATOM 0 HB3 ASN A 15 11.505 0.674 -30.501 1.00 0.00 H new ATOM 0 HD21 ASN A 15 8.612 -1.017 -31.971 1.00 0.00 H new ATOM 0 HD22 ASN A 15 10.292 -1.259 -31.481 1.00 0.00 H new ATOM 758 N LEU A 16 10.269 3.946 -28.919 1.00 0.00 N ATOM 759 CA LEU A 16 9.592 4.084 -27.596 1.00 0.00 C ATOM 760 C LEU A 16 8.211 4.727 -27.798 1.00 0.00 C ATOM 761 O LEU A 16 7.823 5.040 -28.923 1.00 0.00 O ATOM 762 CB LEU A 16 10.441 4.967 -26.675 1.00 0.00 C ATOM 763 CG LEU A 16 11.504 4.114 -25.978 1.00 0.00 C ATOM 764 CD1 LEU A 16 12.477 3.552 -27.019 1.00 0.00 C ATOM 765 CD2 LEU A 16 12.275 4.981 -24.977 1.00 0.00 C ATOM 0 H LEU A 16 10.758 4.779 -29.246 1.00 0.00 H new ATOM 0 HA LEU A 16 9.473 3.100 -27.141 1.00 0.00 H new ATOM 0 HB2 LEU A 16 10.918 5.759 -27.253 1.00 0.00 H new ATOM 0 HB3 LEU A 16 9.806 5.452 -25.933 1.00 0.00 H new ATOM 0 HG LEU A 16 11.020 3.290 -25.453 1.00 0.00 H new ATOM 0 HD11 LEU A 16 13.233 2.945 -26.520 1.00 0.00 H new ATOM 0 HD12 LEU A 16 11.930 2.936 -27.733 1.00 0.00 H new ATOM 0 HD13 LEU A 16 12.961 4.374 -27.546 1.00 0.00 H new ATOM 0 HD21 LEU A 16 13.033 4.376 -24.479 1.00 0.00 H new ATOM 0 HD22 LEU A 16 12.757 5.804 -25.504 1.00 0.00 H new ATOM 0 HD23 LEU A 16 11.584 5.381 -24.234 1.00 0.00 H new ATOM 766 N ASN A 17 7.459 4.935 -26.738 1.00 0.00 N ATOM 767 CA ASN A 17 6.110 5.563 -26.897 1.00 0.00 C ATOM 768 C ASN A 17 6.270 7.082 -27.034 1.00 0.00 C ATOM 769 O ASN A 17 7.228 7.664 -26.527 1.00 0.00 O ATOM 770 CB ASN A 17 5.232 5.251 -25.678 1.00 0.00 C ATOM 771 CG ASN A 17 4.337 4.043 -25.984 1.00 0.00 C ATOM 772 OD1 ASN A 17 4.801 3.053 -26.544 1.00 0.00 O ATOM 773 ND2 ASN A 17 3.070 4.067 -25.648 1.00 0.00 N ATOM 0 H ASN A 17 7.720 4.699 -25.781 1.00 0.00 H new ATOM 0 HA ASN A 17 5.633 5.159 -27.790 1.00 0.00 H new ATOM 0 HB2 ASN A 17 5.858 5.042 -24.810 1.00 0.00 H new ATOM 0 HB3 ASN A 17 4.619 6.117 -25.428 1.00 0.00 H new ATOM 0 HD21 ASN A 17 2.473 3.265 -25.852 1.00 0.00 H new ATOM 0 HD22 ASN A 17 2.681 4.887 -25.183 1.00 0.00 H new ATOM 774 N GLU A 18 5.356 7.741 -27.711 1.00 0.00 N ATOM 775 CA GLU A 18 5.472 9.218 -27.871 1.00 0.00 C ATOM 776 C GLU A 18 4.469 9.915 -26.940 1.00 0.00 C ATOM 777 O GLU A 18 3.832 10.896 -27.322 1.00 0.00 O ATOM 778 CB GLU A 18 5.175 9.596 -29.322 1.00 0.00 C ATOM 779 CG GLU A 18 6.426 9.369 -30.173 1.00 0.00 C ATOM 780 CD GLU A 18 6.019 8.977 -31.594 1.00 0.00 C ATOM 781 OE1 GLU A 18 5.202 8.079 -31.729 1.00 0.00 O ATOM 782 OE2 GLU A 18 6.529 9.578 -32.523 1.00 0.00 O ATOM 0 H GLU A 18 4.541 7.318 -28.155 1.00 0.00 H new ATOM 0 HA GLU A 18 6.483 9.535 -27.614 1.00 0.00 H new ATOM 0 HB2 GLU A 18 4.349 8.996 -29.704 1.00 0.00 H new ATOM 0 HB3 GLU A 18 4.866 10.640 -29.381 1.00 0.00 H new ATOM 0 HG2 GLU A 18 7.032 10.275 -30.195 1.00 0.00 H new ATOM 0 HG3 GLU A 18 7.041 8.585 -29.731 1.00 0.00 H new ATOM 783 N LYS A 19 4.313 9.438 -25.722 1.00 0.00 N ATOM 784 CA LYS A 19 3.353 10.089 -24.783 1.00 0.00 C ATOM 785 C LYS A 19 3.796 9.847 -23.329 1.00 0.00 C ATOM 786 O LYS A 19 2.969 9.630 -22.446 1.00 0.00 O ATOM 787 CB LYS A 19 1.954 9.503 -24.996 1.00 0.00 C ATOM 788 CG LYS A 19 1.542 9.686 -26.457 1.00 0.00 C ATOM 789 CD LYS A 19 0.068 9.312 -26.626 1.00 0.00 C ATOM 790 CE LYS A 19 -0.149 8.706 -28.014 1.00 0.00 C ATOM 791 NZ LYS A 19 -1.591 8.375 -28.192 1.00 0.00 N ATOM 0 H LYS A 19 4.809 8.630 -25.345 1.00 0.00 H new ATOM 0 HA LYS A 19 3.334 11.161 -24.977 1.00 0.00 H new ATOM 0 HB2 LYS A 19 1.948 8.445 -24.735 1.00 0.00 H new ATOM 0 HB3 LYS A 19 1.237 9.997 -24.340 1.00 0.00 H new ATOM 0 HG2 LYS A 19 1.703 10.719 -26.764 1.00 0.00 H new ATOM 0 HG3 LYS A 19 2.162 9.062 -27.101 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -0.228 8.599 -25.856 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -0.559 10.195 -26.501 1.00 0.00 H new ATOM 0 HE2 LYS A 19 0.171 9.409 -28.783 1.00 0.00 H new ATOM 0 HE3 LYS A 19 0.458 7.808 -28.129 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -1.739 7.963 -29.135 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -1.882 7.690 -27.466 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -2.160 9.241 -28.099 1.00 0.00 H new ATOM 792 N ILE A 20 5.084 9.874 -23.061 1.00 0.00 N ATOM 793 CA ILE A 20 5.566 9.639 -21.673 1.00 0.00 C ATOM 794 C ILE A 20 6.152 10.926 -21.106 1.00 0.00 C ATOM 795 O ILE A 20 6.585 11.803 -21.853 1.00 0.00 O ATOM 796 CB ILE A 20 6.667 8.581 -21.687 1.00 0.00 C ATOM 797 CG1 ILE A 20 6.172 7.331 -22.422 1.00 0.00 C ATOM 798 CG2 ILE A 20 7.055 8.223 -20.248 1.00 0.00 C ATOM 799 CD1 ILE A 20 7.252 6.862 -23.392 1.00 0.00 C ATOM 0 H ILE A 20 5.816 10.049 -23.749 1.00 0.00 H new ATOM 0 HA ILE A 20 4.727 9.307 -21.062 1.00 0.00 H new ATOM 0 HB ILE A 20 7.541 8.975 -22.205 1.00 0.00 H new ATOM 0 HG12 ILE A 20 5.940 6.542 -21.707 1.00 0.00 H new ATOM 0 HG13 ILE A 20 5.252 7.552 -22.962 1.00 0.00 H new ATOM 0 HG21 ILE A 20 7.841 7.468 -20.260 1.00 0.00 H new ATOM 0 HG22 ILE A 20 7.417 9.115 -19.736 1.00 0.00 H new ATOM 0 HG23 ILE A 20 6.184 7.831 -19.723 1.00 0.00 H new ATOM 0 HD11 ILE A 20 6.907 5.972 -23.919 1.00 0.00 H new ATOM 0 HD12 ILE A 20 7.462 7.652 -24.113 1.00 0.00 H new ATOM 0 HD13 ILE A 20 8.161 6.626 -22.838 1.00 0.00 H new ATOM 800 N LYS A 21 6.195 11.055 -19.802 1.00 0.00 N ATOM 801 CA LYS A 21 6.778 12.285 -19.217 1.00 0.00 C ATOM 802 C LYS A 21 8.279 12.066 -18.976 1.00 0.00 C ATOM 803 O LYS A 21 8.814 11.003 -19.284 1.00 0.00 O ATOM 804 CB LYS A 21 6.080 12.627 -17.895 1.00 0.00 C ATOM 805 CG LYS A 21 4.973 13.652 -18.149 1.00 0.00 C ATOM 806 CD LYS A 21 4.079 13.757 -16.912 1.00 0.00 C ATOM 807 CE LYS A 21 4.857 14.421 -15.774 1.00 0.00 C ATOM 808 NZ LYS A 21 4.021 14.430 -14.540 1.00 0.00 N ATOM 0 H LYS A 21 5.854 10.367 -19.131 1.00 0.00 H new ATOM 0 HA LYS A 21 6.636 13.116 -19.908 1.00 0.00 H new ATOM 0 HB2 LYS A 21 5.659 11.725 -17.450 1.00 0.00 H new ATOM 0 HB3 LYS A 21 6.803 13.026 -17.183 1.00 0.00 H new ATOM 0 HG2 LYS A 21 5.409 14.624 -18.379 1.00 0.00 H new ATOM 0 HG3 LYS A 21 4.380 13.356 -19.015 1.00 0.00 H new ATOM 0 HD2 LYS A 21 3.186 14.338 -17.144 1.00 0.00 H new ATOM 0 HD3 LYS A 21 3.744 12.766 -16.607 1.00 0.00 H new ATOM 0 HE2 LYS A 21 5.787 13.882 -15.592 1.00 0.00 H new ATOM 0 HE3 LYS A 21 5.128 15.440 -16.050 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 4.549 14.881 -13.766 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 3.145 14.962 -14.718 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 3.784 13.453 -14.274 1.00 0.00 H new ATOM 809 N LYS A 22 8.974 13.043 -18.438 1.00 0.00 N ATOM 810 CA LYS A 22 10.441 12.865 -18.191 1.00 0.00 C ATOM 811 C LYS A 22 10.661 12.112 -16.874 1.00 0.00 C ATOM 812 O LYS A 22 11.581 11.307 -16.762 1.00 0.00 O ATOM 813 CB LYS A 22 11.127 14.229 -18.100 1.00 0.00 C ATOM 814 CG LYS A 22 10.820 15.043 -19.359 1.00 0.00 C ATOM 815 CD LYS A 22 11.534 16.393 -19.281 1.00 0.00 C ATOM 816 CE LYS A 22 13.021 16.203 -19.592 1.00 0.00 C ATOM 817 NZ LYS A 22 13.654 17.532 -19.823 1.00 0.00 N ATOM 0 H LYS A 22 8.592 13.948 -18.162 1.00 0.00 H new ATOM 0 HA LYS A 22 10.866 12.295 -19.018 1.00 0.00 H new ATOM 0 HB2 LYS A 22 10.780 14.763 -17.216 1.00 0.00 H new ATOM 0 HB3 LYS A 22 12.204 14.099 -17.992 1.00 0.00 H new ATOM 0 HG2 LYS A 22 11.145 14.498 -20.245 1.00 0.00 H new ATOM 0 HG3 LYS A 22 9.745 15.193 -19.454 1.00 0.00 H new ATOM 0 HD2 LYS A 22 11.090 17.093 -19.989 1.00 0.00 H new ATOM 0 HD3 LYS A 22 11.412 16.824 -18.287 1.00 0.00 H new ATOM 0 HE2 LYS A 22 13.514 15.692 -18.765 1.00 0.00 H new ATOM 0 HE3 LYS A 22 13.142 15.573 -20.473 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 14.664 17.403 -20.034 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 13.190 18.003 -20.626 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 13.551 18.119 -18.970 1.00 0.00 H new ATOM 818 N ASP A 23 9.841 12.344 -15.876 1.00 0.00 N ATOM 819 CA ASP A 23 10.022 11.612 -14.587 1.00 0.00 C ATOM 820 C ASP A 23 9.533 10.157 -14.736 1.00 0.00 C ATOM 821 O ASP A 23 9.793 9.327 -13.867 1.00 0.00 O ATOM 822 CB ASP A 23 9.226 12.300 -13.469 1.00 0.00 C ATOM 823 CG ASP A 23 9.576 11.659 -12.125 1.00 0.00 C ATOM 824 OD1 ASP A 23 10.689 11.860 -11.667 1.00 0.00 O ATOM 825 OD2 ASP A 23 8.725 10.979 -11.576 1.00 0.00 O ATOM 0 H ASP A 23 9.062 13.002 -15.899 1.00 0.00 H new ATOM 0 HA ASP A 23 11.081 11.618 -14.331 1.00 0.00 H new ATOM 0 HB2 ASP A 23 9.456 13.365 -13.447 1.00 0.00 H new ATOM 0 HB3 ASP A 23 8.157 12.209 -13.660 1.00 0.00 H new ATOM 826 N GLU A 24 8.825 9.817 -15.804 1.00 0.00 N ATOM 827 CA GLU A 24 8.346 8.417 -15.950 1.00 0.00 C ATOM 828 C GLU A 24 9.348 7.601 -16.776 1.00 0.00 C ATOM 829 O GLU A 24 9.669 6.466 -16.425 1.00 0.00 O ATOM 830 CB GLU A 24 6.979 8.401 -16.641 1.00 0.00 C ATOM 831 CG GLU A 24 6.148 7.232 -16.106 1.00 0.00 C ATOM 832 CD GLU A 24 4.663 7.596 -16.156 1.00 0.00 C ATOM 833 OE1 GLU A 24 4.277 8.527 -15.468 1.00 0.00 O ATOM 834 OE2 GLU A 24 3.937 6.937 -16.882 1.00 0.00 O ATOM 0 H GLU A 24 8.569 10.449 -16.563 1.00 0.00 H new ATOM 0 HA GLU A 24 8.254 7.973 -14.959 1.00 0.00 H new ATOM 0 HB2 GLU A 24 6.459 9.342 -16.463 1.00 0.00 H new ATOM 0 HB3 GLU A 24 7.106 8.307 -17.719 1.00 0.00 H new ATOM 0 HG2 GLU A 24 6.334 6.338 -16.701 1.00 0.00 H new ATOM 0 HG3 GLU A 24 6.442 7.001 -15.082 1.00 0.00 H new ATOM 835 N LEU A 25 9.847 8.139 -17.867 1.00 0.00 N ATOM 836 CA LEU A 25 10.823 7.355 -18.693 1.00 0.00 C ATOM 837 C LEU A 25 12.172 7.236 -17.965 1.00 0.00 C ATOM 838 O LEU A 25 12.866 6.232 -18.105 1.00 0.00 O ATOM 839 CB LEU A 25 11.035 8.037 -20.050 1.00 0.00 C ATOM 840 CG LEU A 25 11.323 6.979 -21.116 1.00 0.00 C ATOM 841 CD1 LEU A 25 10.088 6.095 -21.307 1.00 0.00 C ATOM 842 CD2 LEU A 25 11.662 7.674 -22.434 1.00 0.00 C ATOM 0 H LEU A 25 9.625 9.071 -18.216 1.00 0.00 H new ATOM 0 HA LEU A 25 10.414 6.357 -18.849 1.00 0.00 H new ATOM 0 HB2 LEU A 25 10.149 8.611 -20.322 1.00 0.00 H new ATOM 0 HB3 LEU A 25 11.865 8.741 -19.989 1.00 0.00 H new ATOM 0 HG LEU A 25 12.163 6.361 -20.801 1.00 0.00 H new ATOM 0 HD11 LEU A 25 10.294 5.341 -22.067 1.00 0.00 H new ATOM 0 HD12 LEU A 25 9.843 5.604 -20.365 1.00 0.00 H new ATOM 0 HD13 LEU A 25 9.246 6.710 -21.625 1.00 0.00 H new ATOM 0 HD21 LEU A 25 11.868 6.924 -23.198 1.00 0.00 H new ATOM 0 HD22 LEU A 25 10.819 8.290 -22.748 1.00 0.00 H new ATOM 0 HD23 LEU A 25 12.541 8.304 -22.297 1.00 0.00 H new ATOM 843 N LYS A 26 12.565 8.222 -17.190 1.00 0.00 N ATOM 844 CA LYS A 26 13.871 8.123 -16.465 1.00 0.00 C ATOM 845 C LYS A 26 13.730 7.209 -15.236 1.00 0.00 C ATOM 846 O LYS A 26 14.705 6.596 -14.805 1.00 0.00 O ATOM 847 CB LYS A 26 14.335 9.516 -16.015 1.00 0.00 C ATOM 848 CG LYS A 26 15.864 9.556 -15.972 1.00 0.00 C ATOM 849 CD LYS A 26 16.318 10.588 -14.936 1.00 0.00 C ATOM 850 CE LYS A 26 17.740 10.259 -14.477 1.00 0.00 C ATOM 851 NZ LYS A 26 18.313 11.432 -13.758 1.00 0.00 N ATOM 0 H LYS A 26 12.042 9.083 -17.030 1.00 0.00 H new ATOM 0 HA LYS A 26 14.611 7.699 -17.144 1.00 0.00 H new ATOM 0 HB2 LYS A 26 13.960 10.275 -16.701 1.00 0.00 H new ATOM 0 HB3 LYS A 26 13.927 9.747 -15.031 1.00 0.00 H new ATOM 0 HG2 LYS A 26 16.257 8.572 -15.717 1.00 0.00 H new ATOM 0 HG3 LYS A 26 16.260 9.813 -16.955 1.00 0.00 H new ATOM 0 HD2 LYS A 26 16.286 11.589 -15.366 1.00 0.00 H new ATOM 0 HD3 LYS A 26 15.639 10.585 -14.083 1.00 0.00 H new ATOM 0 HE2 LYS A 26 17.730 9.387 -13.823 1.00 0.00 H new ATOM 0 HE3 LYS A 26 18.362 10.006 -15.336 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 19.280 11.209 -13.446 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 18.336 12.253 -14.396 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 17.724 11.653 -12.930 1.00 0.00 H new ATOM 852 N LYS A 27 12.552 7.092 -14.651 1.00 0.00 N ATOM 853 CA LYS A 27 12.405 6.200 -13.457 1.00 0.00 C ATOM 854 C LYS A 27 12.369 4.723 -13.899 1.00 0.00 C ATOM 855 O LYS A 27 12.806 3.843 -13.158 1.00 0.00 O ATOM 856 CB LYS A 27 11.107 6.536 -12.702 1.00 0.00 C ATOM 857 CG LYS A 27 11.389 6.643 -11.199 1.00 0.00 C ATOM 858 CD LYS A 27 11.053 5.314 -10.512 1.00 0.00 C ATOM 859 CE LYS A 27 12.337 4.514 -10.282 1.00 0.00 C ATOM 860 NZ LYS A 27 12.008 3.064 -10.182 1.00 0.00 N ATOM 0 H LYS A 27 11.701 7.570 -14.947 1.00 0.00 H new ATOM 0 HA LYS A 27 13.259 6.360 -12.798 1.00 0.00 H new ATOM 0 HB2 LYS A 27 10.694 7.475 -13.071 1.00 0.00 H new ATOM 0 HB3 LYS A 27 10.359 5.765 -12.886 1.00 0.00 H new ATOM 0 HG2 LYS A 27 12.437 6.894 -11.033 1.00 0.00 H new ATOM 0 HG3 LYS A 27 10.796 7.448 -10.765 1.00 0.00 H new ATOM 0 HD2 LYS A 27 10.554 5.501 -9.561 1.00 0.00 H new ATOM 0 HD3 LYS A 27 10.361 4.740 -11.128 1.00 0.00 H new ATOM 0 HE2 LYS A 27 13.035 4.684 -11.101 1.00 0.00 H new ATOM 0 HE3 LYS A 27 12.829 4.850 -9.369 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 12.841 2.542 -9.843 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 11.221 2.932 -9.515 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 11.732 2.705 -11.118 1.00 0.00 H new ATOM 861 N SER A 28 11.857 4.420 -15.078 1.00 0.00 N ATOM 862 CA SER A 28 11.806 2.986 -15.511 1.00 0.00 C ATOM 863 C SER A 28 13.171 2.543 -16.064 1.00 0.00 C ATOM 864 O SER A 28 13.585 1.405 -15.855 1.00 0.00 O ATOM 865 CB SER A 28 10.742 2.801 -16.598 1.00 0.00 C ATOM 866 OG SER A 28 10.094 1.548 -16.414 1.00 0.00 O ATOM 0 H SER A 28 11.480 5.094 -15.745 1.00 0.00 H new ATOM 0 HA SER A 28 11.553 2.377 -14.643 1.00 0.00 H new ATOM 0 HB2 SER A 28 10.013 3.610 -16.551 1.00 0.00 H new ATOM 0 HB3 SER A 28 11.203 2.844 -17.585 1.00 0.00 H new ATOM 0 HG SER A 28 9.412 1.428 -17.107 1.00 0.00 H new ATOM 867 N LEU A 29 13.882 3.401 -16.767 1.00 0.00 N ATOM 868 CA LEU A 29 15.212 2.979 -17.319 1.00 0.00 C ATOM 869 C LEU A 29 16.216 2.812 -16.170 1.00 0.00 C ATOM 870 O LEU A 29 16.985 1.854 -16.139 1.00 0.00 O ATOM 871 CB LEU A 29 15.741 4.031 -18.303 1.00 0.00 C ATOM 872 CG LEU A 29 14.767 4.174 -19.472 1.00 0.00 C ATOM 873 CD1 LEU A 29 15.212 5.330 -20.371 1.00 0.00 C ATOM 874 CD2 LEU A 29 14.752 2.876 -20.283 1.00 0.00 C ATOM 0 H LEU A 29 13.603 4.359 -16.979 1.00 0.00 H new ATOM 0 HA LEU A 29 15.088 2.032 -17.844 1.00 0.00 H new ATOM 0 HB2 LEU A 29 15.861 4.989 -17.797 1.00 0.00 H new ATOM 0 HB3 LEU A 29 16.725 3.739 -18.670 1.00 0.00 H new ATOM 0 HG LEU A 29 13.767 4.377 -19.088 1.00 0.00 H new ATOM 0 HD11 LEU A 29 14.517 5.431 -21.204 1.00 0.00 H new ATOM 0 HD12 LEU A 29 15.225 6.255 -19.795 1.00 0.00 H new ATOM 0 HD13 LEU A 29 16.212 5.128 -20.755 1.00 0.00 H new ATOM 0 HD21 LEU A 29 14.058 2.976 -21.117 1.00 0.00 H new ATOM 0 HD22 LEU A 29 15.753 2.675 -20.666 1.00 0.00 H new ATOM 0 HD23 LEU A 29 14.435 2.052 -19.644 1.00 0.00 H new ATOM 875 N HIS A 30 16.224 3.720 -15.225 1.00 0.00 N ATOM 876 CA HIS A 30 17.185 3.599 -14.079 1.00 0.00 C ATOM 877 C HIS A 30 16.838 2.375 -13.210 1.00 0.00 C ATOM 878 O HIS A 30 17.715 1.806 -12.562 1.00 0.00 O ATOM 879 CB HIS A 30 17.136 4.863 -13.210 1.00 0.00 C ATOM 880 CG HIS A 30 18.432 5.010 -12.462 1.00 0.00 C ATOM 881 ND1 HIS A 30 18.551 4.679 -11.122 1.00 0.00 N ATOM 882 CD2 HIS A 30 19.672 5.451 -12.852 1.00 0.00 C ATOM 883 CE1 HIS A 30 19.822 4.924 -10.755 1.00 0.00 C ATOM 884 NE2 HIS A 30 20.548 5.396 -11.772 1.00 0.00 N ATOM 0 H HIS A 30 15.612 4.535 -15.195 1.00 0.00 H new ATOM 0 HA HIS A 30 18.188 3.476 -14.488 1.00 0.00 H new ATOM 0 HB2 HIS A 30 16.963 5.740 -13.834 1.00 0.00 H new ATOM 0 HB3 HIS A 30 16.304 4.802 -12.508 1.00 0.00 H new ATOM 0 HD2 HIS A 30 19.929 5.789 -13.845 1.00 0.00 H new ATOM 0 HE1 HIS A 30 20.208 4.759 -9.760 1.00 0.00 H new ATOM 0 HE2 HIS A 30 21.533 5.660 -11.760 1.00 0.00 H new ATOM 885 N ALA A 31 15.589 1.955 -13.166 1.00 0.00 N ATOM 886 CA ALA A 31 15.234 0.773 -12.317 1.00 0.00 C ATOM 887 C ALA A 31 15.697 -0.525 -13.000 1.00 0.00 C ATOM 888 O ALA A 31 16.575 -1.217 -12.494 1.00 0.00 O ATOM 889 CB ALA A 31 13.715 0.714 -12.103 1.00 0.00 C ATOM 0 H ALA A 31 14.812 2.376 -13.676 1.00 0.00 H new ATOM 0 HA ALA A 31 15.733 0.876 -11.354 1.00 0.00 H new ATOM 0 HB1 ALA A 31 13.468 -0.149 -11.485 1.00 0.00 H new ATOM 0 HB2 ALA A 31 13.382 1.625 -11.605 1.00 0.00 H new ATOM 0 HB3 ALA A 31 13.215 0.624 -13.067 1.00 0.00 H new ATOM 890 N ILE A 32 15.110 -0.886 -14.120 1.00 0.00 N ATOM 891 CA ILE A 32 15.505 -2.151 -14.800 1.00 0.00 C ATOM 892 C ILE A 32 17.030 -2.212 -15.029 1.00 0.00 C ATOM 893 O ILE A 32 17.686 -3.166 -14.614 1.00 0.00 O ATOM 894 CB ILE A 32 14.779 -2.329 -16.156 1.00 0.00 C ATOM 895 CG1 ILE A 32 14.382 -1.001 -16.836 1.00 0.00 C ATOM 896 CG2 ILE A 32 13.519 -3.169 -15.952 1.00 0.00 C ATOM 897 CD1 ILE A 32 14.450 -1.166 -18.355 1.00 0.00 C ATOM 0 H ILE A 32 14.375 -0.355 -14.587 1.00 0.00 H new ATOM 0 HA ILE A 32 15.208 -2.963 -14.136 1.00 0.00 H new ATOM 0 HB ILE A 32 15.491 -2.823 -16.817 1.00 0.00 H new ATOM 0 HG12 ILE A 32 13.375 -0.713 -16.535 1.00 0.00 H new ATOM 0 HG13 ILE A 32 15.051 -0.202 -16.516 1.00 0.00 H new ATOM 0 HG21 ILE A 32 13.007 -3.295 -16.906 1.00 0.00 H new ATOM 0 HG22 ILE A 32 13.794 -4.147 -15.556 1.00 0.00 H new ATOM 0 HG23 ILE A 32 12.856 -2.666 -15.248 1.00 0.00 H new ATOM 0 HD11 ILE A 32 14.170 -0.229 -18.836 1.00 0.00 H new ATOM 0 HD12 ILE A 32 15.465 -1.434 -18.647 1.00 0.00 H new ATOM 0 HD13 ILE A 32 13.763 -1.953 -18.667 1.00 0.00 H new ATOM 898 N PHE A 33 17.604 -1.243 -15.699 1.00 0.00 N ATOM 899 CA PHE A 33 19.083 -1.286 -15.970 1.00 0.00 C ATOM 900 C PHE A 33 19.884 -1.335 -14.655 1.00 0.00 C ATOM 901 O PHE A 33 20.916 -1.999 -14.579 1.00 0.00 O ATOM 902 CB PHE A 33 19.511 -0.047 -16.769 1.00 0.00 C ATOM 903 CG PHE A 33 19.146 -0.234 -18.223 1.00 0.00 C ATOM 904 CD1 PHE A 33 20.043 -0.861 -19.097 1.00 0.00 C ATOM 905 CD2 PHE A 33 17.911 0.223 -18.699 1.00 0.00 C ATOM 906 CE1 PHE A 33 19.703 -1.033 -20.445 1.00 0.00 C ATOM 907 CE2 PHE A 33 17.572 0.051 -20.045 1.00 0.00 C ATOM 908 CZ PHE A 33 18.468 -0.576 -20.919 1.00 0.00 C ATOM 0 H PHE A 33 17.119 -0.426 -16.070 1.00 0.00 H new ATOM 0 HA PHE A 33 19.290 -2.188 -16.546 1.00 0.00 H new ATOM 0 HB2 PHE A 33 19.021 0.842 -16.372 1.00 0.00 H new ATOM 0 HB3 PHE A 33 20.585 0.110 -16.670 1.00 0.00 H new ATOM 0 HD1 PHE A 33 20.997 -1.212 -18.732 1.00 0.00 H new ATOM 0 HD2 PHE A 33 17.220 0.709 -18.026 1.00 0.00 H new ATOM 0 HE1 PHE A 33 20.394 -1.518 -21.119 1.00 0.00 H new ATOM 0 HE2 PHE A 33 16.618 0.402 -20.410 1.00 0.00 H new ATOM 0 HZ PHE A 33 18.206 -0.707 -21.959 1.00 0.00 H new ATOM 909 N SER A 34 19.454 -0.639 -13.626 1.00 0.00 N ATOM 910 CA SER A 34 20.232 -0.658 -12.339 1.00 0.00 C ATOM 911 C SER A 34 20.308 -2.088 -11.766 1.00 0.00 C ATOM 912 O SER A 34 21.300 -2.458 -11.142 1.00 0.00 O ATOM 913 CB SER A 34 19.572 0.260 -11.303 1.00 0.00 C ATOM 914 OG SER A 34 18.194 -0.073 -11.192 1.00 0.00 O ATOM 0 H SER A 34 18.610 -0.066 -13.619 1.00 0.00 H new ATOM 0 HA SER A 34 21.240 -0.304 -12.554 1.00 0.00 H new ATOM 0 HB2 SER A 34 20.064 0.150 -10.337 1.00 0.00 H new ATOM 0 HB3 SER A 34 19.683 1.303 -11.600 1.00 0.00 H new ATOM 0 HG SER A 34 17.741 0.124 -12.038 1.00 0.00 H new ATOM 915 N ARG A 35 19.285 -2.900 -11.945 1.00 0.00 N ATOM 916 CA ARG A 35 19.325 -4.295 -11.383 1.00 0.00 C ATOM 917 C ARG A 35 20.631 -5.002 -11.793 1.00 0.00 C ATOM 918 O ARG A 35 21.202 -5.759 -11.010 1.00 0.00 O ATOM 919 CB ARG A 35 18.132 -5.109 -11.901 1.00 0.00 C ATOM 920 CG ARG A 35 16.833 -4.516 -11.348 1.00 0.00 C ATOM 921 CD ARG A 35 15.721 -4.662 -12.388 1.00 0.00 C ATOM 922 NE ARG A 35 15.047 -5.979 -12.211 1.00 0.00 N ATOM 923 CZ ARG A 35 13.876 -6.041 -11.639 1.00 0.00 C ATOM 924 NH1 ARG A 35 12.870 -5.376 -12.138 1.00 0.00 N ATOM 925 NH2 ARG A 35 13.711 -6.767 -10.568 1.00 0.00 N ATOM 0 H ARG A 35 18.432 -2.660 -12.451 1.00 0.00 H new ATOM 0 HA ARG A 35 19.277 -4.226 -10.296 1.00 0.00 H new ATOM 0 HB2 ARG A 35 18.115 -5.097 -12.991 1.00 0.00 H new ATOM 0 HB3 ARG A 35 18.228 -6.151 -11.595 1.00 0.00 H new ATOM 0 HG2 ARG A 35 16.552 -5.025 -10.426 1.00 0.00 H new ATOM 0 HG3 ARG A 35 16.978 -3.464 -11.100 1.00 0.00 H new ATOM 0 HD2 ARG A 35 14.998 -3.854 -12.279 1.00 0.00 H new ATOM 0 HD3 ARG A 35 16.136 -4.586 -13.393 1.00 0.00 H new ATOM 0 HE ARG A 35 15.501 -6.832 -12.537 1.00 0.00 H new ATOM 0 HH11 ARG A 35 12.999 -4.808 -12.975 1.00 0.00 H new ATOM 0 HH12 ARG A 35 11.955 -5.424 -11.691 1.00 0.00 H new ATOM 0 HH21 ARG A 35 14.497 -7.286 -10.178 1.00 0.00 H new ATOM 0 HH22 ARG A 35 12.796 -6.815 -10.121 1.00 0.00 H new ATOM 926 N PHE A 36 21.116 -4.782 -12.996 1.00 0.00 N ATOM 927 CA PHE A 36 22.383 -5.464 -13.418 1.00 0.00 C ATOM 928 C PHE A 36 23.568 -4.893 -12.624 1.00 0.00 C ATOM 929 O PHE A 36 24.310 -5.638 -11.984 1.00 0.00 O ATOM 930 CB PHE A 36 22.628 -5.258 -14.919 1.00 0.00 C ATOM 931 CG PHE A 36 21.924 -6.346 -15.693 1.00 0.00 C ATOM 932 CD1 PHE A 36 20.551 -6.245 -15.950 1.00 0.00 C ATOM 933 CD2 PHE A 36 22.643 -7.457 -16.151 1.00 0.00 C ATOM 934 CE1 PHE A 36 19.897 -7.255 -16.665 1.00 0.00 C ATOM 935 CE2 PHE A 36 21.988 -8.468 -16.866 1.00 0.00 C ATOM 936 CZ PHE A 36 20.615 -8.366 -17.123 1.00 0.00 C ATOM 0 H PHE A 36 20.695 -4.169 -13.694 1.00 0.00 H new ATOM 0 HA PHE A 36 22.288 -6.531 -13.218 1.00 0.00 H new ATOM 0 HB2 PHE A 36 22.260 -4.280 -15.228 1.00 0.00 H new ATOM 0 HB3 PHE A 36 23.697 -5.278 -15.131 1.00 0.00 H new ATOM 0 HD1 PHE A 36 19.997 -5.388 -15.597 1.00 0.00 H new ATOM 0 HD2 PHE A 36 23.702 -7.534 -15.953 1.00 0.00 H new ATOM 0 HE1 PHE A 36 18.838 -7.177 -16.863 1.00 0.00 H new ATOM 0 HE2 PHE A 36 22.541 -9.326 -17.219 1.00 0.00 H new ATOM 0 HZ PHE A 36 20.110 -9.145 -17.675 1.00 0.00 H new ATOM 937 N GLY A 37 23.770 -3.594 -12.649 1.00 0.00 N ATOM 938 CA GLY A 37 24.914 -3.006 -11.889 1.00 0.00 C ATOM 939 C GLY A 37 24.525 -1.620 -11.354 1.00 0.00 C ATOM 940 O GLY A 37 23.489 -1.464 -10.710 1.00 0.00 O ATOM 0 H GLY A 37 23.195 -2.924 -13.159 1.00 0.00 H new ATOM 0 HA2 GLY A 37 25.188 -3.661 -11.062 1.00 0.00 H new ATOM 0 HA3 GLY A 37 25.788 -2.924 -12.535 1.00 0.00 H new ATOM 941 N GLN A 38 25.329 -0.609 -11.604 1.00 0.00 N ATOM 942 CA GLN A 38 24.987 0.754 -11.103 1.00 0.00 C ATOM 943 C GLN A 38 24.936 1.732 -12.285 1.00 0.00 C ATOM 944 O GLN A 38 25.773 1.675 -13.184 1.00 0.00 O ATOM 945 CB GLN A 38 26.050 1.216 -10.104 1.00 0.00 C ATOM 946 CG GLN A 38 25.478 2.340 -9.237 1.00 0.00 C ATOM 947 CD GLN A 38 26.570 2.868 -8.296 1.00 0.00 C ATOM 948 OE1 GLN A 38 27.161 2.102 -7.539 1.00 0.00 O ATOM 949 NE2 GLN A 38 26.874 4.143 -8.299 1.00 0.00 N ATOM 0 H GLN A 38 26.200 -0.673 -12.130 1.00 0.00 H new ATOM 0 HA GLN A 38 24.016 0.726 -10.609 1.00 0.00 H new ATOM 0 HB2 GLN A 38 26.363 0.381 -9.477 1.00 0.00 H new ATOM 0 HB3 GLN A 38 26.936 1.566 -10.634 1.00 0.00 H new ATOM 0 HG2 GLN A 38 25.106 3.147 -9.868 1.00 0.00 H new ATOM 0 HG3 GLN A 38 24.631 1.972 -8.658 1.00 0.00 H new ATOM 0 HE21 GLN A 38 26.386 4.782 -8.926 1.00 0.00 H new ATOM 0 HE22 GLN A 38 27.599 4.496 -7.674 1.00 0.00 H new ATOM 950 N ILE A 39 23.974 2.631 -12.310 1.00 0.00 N ATOM 951 CA ILE A 39 23.891 3.598 -13.441 1.00 0.00 C ATOM 952 C ILE A 39 24.356 4.983 -12.967 1.00 0.00 C ATOM 953 O ILE A 39 23.892 5.486 -11.945 1.00 0.00 O ATOM 954 CB ILE A 39 22.445 3.686 -13.931 1.00 0.00 C ATOM 955 CG1 ILE A 39 21.939 2.284 -14.278 1.00 0.00 C ATOM 956 CG2 ILE A 39 22.381 4.572 -15.176 1.00 0.00 C ATOM 957 CD1 ILE A 39 20.439 2.342 -14.577 1.00 0.00 C ATOM 0 H ILE A 39 23.251 2.731 -11.598 1.00 0.00 H new ATOM 0 HA ILE A 39 24.531 3.259 -14.256 1.00 0.00 H new ATOM 0 HB ILE A 39 21.821 4.115 -13.147 1.00 0.00 H new ATOM 0 HG12 ILE A 39 22.478 1.895 -15.142 1.00 0.00 H new ATOM 0 HG13 ILE A 39 22.129 1.602 -13.450 1.00 0.00 H new ATOM 0 HG21 ILE A 39 21.350 4.635 -15.525 1.00 0.00 H new ATOM 0 HG22 ILE A 39 22.743 5.571 -14.931 1.00 0.00 H new ATOM 0 HG23 ILE A 39 23.004 4.143 -15.960 1.00 0.00 H new ATOM 0 HD11 ILE A 39 20.078 1.344 -14.824 1.00 0.00 H new ATOM 0 HD12 ILE A 39 19.907 2.713 -13.701 1.00 0.00 H new ATOM 0 HD13 ILE A 39 20.261 3.011 -15.419 1.00 0.00 H new ATOM 958 N LEU A 40 25.260 5.614 -13.685 1.00 0.00 N ATOM 959 CA LEU A 40 25.735 6.968 -13.256 1.00 0.00 C ATOM 960 C LEU A 40 24.662 8.017 -13.583 1.00 0.00 C ATOM 961 O LEU A 40 24.419 8.932 -12.798 1.00 0.00 O ATOM 962 CB LEU A 40 27.038 7.330 -13.981 1.00 0.00 C ATOM 963 CG LEU A 40 28.235 6.948 -13.107 1.00 0.00 C ATOM 964 CD1 LEU A 40 28.540 5.460 -13.281 1.00 0.00 C ATOM 965 CD2 LEU A 40 29.456 7.769 -13.528 1.00 0.00 C ATOM 0 H LEU A 40 25.684 5.253 -14.540 1.00 0.00 H new ATOM 0 HA LEU A 40 25.919 6.952 -12.182 1.00 0.00 H new ATOM 0 HB2 LEU A 40 27.091 6.808 -14.937 1.00 0.00 H new ATOM 0 HB3 LEU A 40 27.060 8.398 -14.199 1.00 0.00 H new ATOM 0 HG LEU A 40 28.001 7.152 -12.062 1.00 0.00 H new ATOM 0 HD11 LEU A 40 29.392 5.188 -12.659 1.00 0.00 H new ATOM 0 HD12 LEU A 40 27.671 4.873 -12.983 1.00 0.00 H new ATOM 0 HD13 LEU A 40 28.774 5.256 -14.326 1.00 0.00 H new ATOM 0 HD21 LEU A 40 30.309 7.498 -12.906 1.00 0.00 H new ATOM 0 HD22 LEU A 40 29.689 7.565 -14.573 1.00 0.00 H new ATOM 0 HD23 LEU A 40 29.241 8.830 -13.405 1.00 0.00 H new ATOM 966 N ASP A 41 24.014 7.909 -14.723 1.00 0.00 N ATOM 967 CA ASP A 41 22.962 8.916 -15.073 1.00 0.00 C ATOM 968 C ASP A 41 22.261 8.527 -16.389 1.00 0.00 C ATOM 969 O ASP A 41 22.771 7.715 -17.161 1.00 0.00 O ATOM 970 CB ASP A 41 23.609 10.293 -15.233 1.00 0.00 C ATOM 971 CG ASP A 41 22.634 11.374 -14.762 1.00 0.00 C ATOM 972 OD1 ASP A 41 22.515 11.553 -13.562 1.00 0.00 O ATOM 973 OD2 ASP A 41 22.025 12.005 -15.611 1.00 0.00 O ATOM 0 H ASP A 41 24.167 7.177 -15.416 1.00 0.00 H new ATOM 0 HA ASP A 41 22.222 8.943 -14.273 1.00 0.00 H new ATOM 0 HB2 ASP A 41 24.531 10.343 -14.654 1.00 0.00 H new ATOM 0 HB3 ASP A 41 23.878 10.461 -16.276 1.00 0.00 H new ATOM 974 N ILE A 42 21.102 9.088 -16.662 1.00 0.00 N ATOM 975 CA ILE A 42 20.387 8.742 -17.923 1.00 0.00 C ATOM 976 C ILE A 42 19.912 10.030 -18.612 1.00 0.00 C ATOM 977 O ILE A 42 19.329 10.906 -17.974 1.00 0.00 O ATOM 978 CB ILE A 42 19.178 7.862 -17.599 1.00 0.00 C ATOM 979 CG1 ILE A 42 19.638 6.633 -16.812 1.00 0.00 C ATOM 980 CG2 ILE A 42 18.510 7.413 -18.900 1.00 0.00 C ATOM 981 CD1 ILE A 42 18.445 6.032 -16.066 1.00 0.00 C ATOM 0 H ILE A 42 20.628 9.766 -16.065 1.00 0.00 H new ATOM 0 HA ILE A 42 21.062 8.202 -18.587 1.00 0.00 H new ATOM 0 HB ILE A 42 18.465 8.430 -17.002 1.00 0.00 H new ATOM 0 HG12 ILE A 42 20.068 5.894 -17.488 1.00 0.00 H new ATOM 0 HG13 ILE A 42 20.420 6.911 -16.106 1.00 0.00 H new ATOM 0 HG21 ILE A 42 17.649 6.786 -18.669 1.00 0.00 H new ATOM 0 HG22 ILE A 42 18.182 8.288 -19.461 1.00 0.00 H new ATOM 0 HG23 ILE A 42 19.223 6.845 -19.498 1.00 0.00 H new ATOM 0 HD11 ILE A 42 18.771 5.156 -15.505 1.00 0.00 H new ATOM 0 HD12 ILE A 42 18.035 6.772 -15.378 1.00 0.00 H new ATOM 0 HD13 ILE A 42 17.678 5.739 -16.783 1.00 0.00 H new ATOM 982 N LEU A 43 20.142 10.168 -19.900 1.00 0.00 N ATOM 983 CA LEU A 43 19.695 11.402 -20.608 1.00 0.00 C ATOM 984 C LEU A 43 18.417 11.098 -21.405 1.00 0.00 C ATOM 985 O LEU A 43 18.438 10.306 -22.345 1.00 0.00 O ATOM 986 CB LEU A 43 20.793 11.867 -21.567 1.00 0.00 C ATOM 987 CG LEU A 43 21.835 12.680 -20.797 1.00 0.00 C ATOM 988 CD1 LEU A 43 22.878 11.735 -20.197 1.00 0.00 C ATOM 989 CD2 LEU A 43 22.523 13.658 -21.752 1.00 0.00 C ATOM 0 H LEU A 43 20.618 9.480 -20.484 1.00 0.00 H new ATOM 0 HA LEU A 43 19.493 12.187 -19.879 1.00 0.00 H new ATOM 0 HB2 LEU A 43 21.265 11.006 -22.040 1.00 0.00 H new ATOM 0 HB3 LEU A 43 20.361 12.472 -22.364 1.00 0.00 H new ATOM 0 HG LEU A 43 21.345 13.235 -19.997 1.00 0.00 H new ATOM 0 HD11 LEU A 43 23.621 12.314 -19.648 1.00 0.00 H new ATOM 0 HD12 LEU A 43 22.388 11.037 -19.518 1.00 0.00 H new ATOM 0 HD13 LEU A 43 23.369 11.180 -20.997 1.00 0.00 H new ATOM 0 HD21 LEU A 43 23.266 14.239 -21.205 1.00 0.00 H new ATOM 0 HD22 LEU A 43 23.013 13.102 -22.551 1.00 0.00 H new ATOM 0 HD23 LEU A 43 21.780 14.331 -22.181 1.00 0.00 H new ATOM 990 N VAL A 44 17.305 11.709 -21.055 1.00 0.00 N ATOM 991 CA VAL A 44 16.043 11.439 -21.810 1.00 0.00 C ATOM 992 C VAL A 44 15.909 12.465 -22.945 1.00 0.00 C ATOM 993 O VAL A 44 16.531 13.526 -22.909 1.00 0.00 O ATOM 994 CB VAL A 44 14.828 11.555 -20.876 1.00 0.00 C ATOM 995 CG1 VAL A 44 13.604 10.933 -21.550 1.00 0.00 C ATOM 996 CG2 VAL A 44 15.103 10.817 -19.562 1.00 0.00 C ATOM 0 H VAL A 44 17.221 12.375 -20.287 1.00 0.00 H new ATOM 0 HA VAL A 44 16.080 10.429 -22.218 1.00 0.00 H new ATOM 0 HB VAL A 44 14.642 12.609 -20.668 1.00 0.00 H new ATOM 0 HG11 VAL A 44 12.743 11.015 -20.887 1.00 0.00 H new ATOM 0 HG12 VAL A 44 13.396 11.458 -22.482 1.00 0.00 H new ATOM 0 HG13 VAL A 44 13.800 9.882 -21.761 1.00 0.00 H new ATOM 0 HG21 VAL A 44 14.236 10.905 -18.907 1.00 0.00 H new ATOM 0 HG22 VAL A 44 15.296 9.764 -19.769 1.00 0.00 H new ATOM 0 HG23 VAL A 44 15.973 11.256 -19.073 1.00 0.00 H new ATOM 997 N SER A 45 15.115 12.179 -23.954 1.00 0.00 N ATOM 998 CA SER A 45 14.959 13.149 -25.076 1.00 0.00 C ATOM 999 C SER A 45 13.467 13.359 -25.371 1.00 0.00 C ATOM 1000 O SER A 45 12.648 12.473 -25.131 1.00 0.00 O ATOM 1001 CB SER A 45 15.654 12.600 -26.323 1.00 0.00 C ATOM 1002 OG SER A 45 16.932 13.211 -26.456 1.00 0.00 O ATOM 0 H SER A 45 14.573 11.319 -24.044 1.00 0.00 H new ATOM 0 HA SER A 45 15.410 14.102 -24.798 1.00 0.00 H new ATOM 0 HB2 SER A 45 15.762 11.518 -26.247 1.00 0.00 H new ATOM 0 HB3 SER A 45 15.049 12.799 -27.208 1.00 0.00 H new ATOM 0 HG SER A 45 17.328 12.957 -27.315 1.00 0.00 H new ATOM 1003 N ARG A 46 13.090 14.510 -25.888 1.00 0.00 N ATOM 1004 CA ARG A 46 11.649 14.753 -26.192 1.00 0.00 C ATOM 1005 C ARG A 46 11.517 15.696 -27.402 1.00 0.00 C ATOM 1006 O ARG A 46 10.598 16.512 -27.463 1.00 0.00 O ATOM 1007 CB ARG A 46 10.973 15.389 -24.976 1.00 0.00 C ATOM 1008 CG ARG A 46 9.453 15.293 -25.128 1.00 0.00 C ATOM 1009 CD ARG A 46 8.799 15.248 -23.745 1.00 0.00 C ATOM 1010 NE ARG A 46 7.522 16.016 -23.776 1.00 0.00 N ATOM 1011 CZ ARG A 46 6.380 15.384 -23.798 1.00 0.00 C ATOM 1012 NH1 ARG A 46 6.029 14.636 -22.788 1.00 0.00 N ATOM 1013 NH2 ARG A 46 5.591 15.501 -24.830 1.00 0.00 N ATOM 0 H ARG A 46 13.718 15.283 -26.109 1.00 0.00 H new ATOM 0 HA ARG A 46 11.168 13.803 -26.426 1.00 0.00 H new ATOM 0 HB2 ARG A 46 11.291 14.883 -24.064 1.00 0.00 H new ATOM 0 HB3 ARG A 46 11.275 16.432 -24.883 1.00 0.00 H new ATOM 0 HG2 ARG A 46 9.079 16.149 -25.690 1.00 0.00 H new ATOM 0 HG3 ARG A 46 9.190 14.400 -25.695 1.00 0.00 H new ATOM 0 HD2 ARG A 46 8.608 14.215 -23.454 1.00 0.00 H new ATOM 0 HD3 ARG A 46 9.472 15.670 -22.998 1.00 0.00 H new ATOM 0 HE ARG A 46 7.540 17.036 -23.780 1.00 0.00 H new ATOM 0 HH11 ARG A 46 6.647 14.545 -21.982 1.00 0.00 H new ATOM 0 HH12 ARG A 46 5.137 14.142 -22.805 1.00 0.00 H new ATOM 0 HH21 ARG A 46 5.867 16.086 -25.619 1.00 0.00 H new ATOM 0 HH22 ARG A 46 4.698 15.008 -24.848 1.00 0.00 H new ATOM 1014 N SER A 47 12.403 15.603 -28.373 1.00 0.00 N ATOM 1015 CA SER A 47 12.304 16.494 -29.565 1.00 0.00 C ATOM 1016 C SER A 47 11.924 15.646 -30.789 1.00 0.00 C ATOM 1017 O SER A 47 11.889 14.418 -30.711 1.00 0.00 O ATOM 1018 CB SER A 47 13.654 17.172 -29.802 1.00 0.00 C ATOM 1019 OG SER A 47 14.644 16.179 -30.032 1.00 0.00 O ATOM 0 H SER A 47 13.185 14.949 -28.385 1.00 0.00 H new ATOM 0 HA SER A 47 11.544 17.258 -29.400 1.00 0.00 H new ATOM 0 HB2 SER A 47 13.591 17.844 -30.658 1.00 0.00 H new ATOM 0 HB3 SER A 47 13.925 17.779 -28.939 1.00 0.00 H new ATOM 0 HG SER A 47 15.510 16.610 -30.186 1.00 0.00 H new ATOM 1020 N LEU A 48 11.630 16.260 -31.918 1.00 0.00 N ATOM 1021 CA LEU A 48 11.250 15.445 -33.121 1.00 0.00 C ATOM 1022 C LEU A 48 12.416 14.525 -33.509 1.00 0.00 C ATOM 1023 O LEU A 48 12.262 13.306 -33.568 1.00 0.00 O ATOM 1024 CB LEU A 48 10.912 16.357 -34.306 1.00 0.00 C ATOM 1025 CG LEU A 48 10.113 15.576 -35.354 1.00 0.00 C ATOM 1026 CD1 LEU A 48 9.015 16.475 -35.928 1.00 0.00 C ATOM 1027 CD2 LEU A 48 11.046 15.128 -36.482 1.00 0.00 C ATOM 0 H LEU A 48 11.637 17.271 -32.056 1.00 0.00 H new ATOM 0 HA LEU A 48 10.372 14.849 -32.872 1.00 0.00 H new ATOM 0 HB2 LEU A 48 10.335 17.216 -33.962 1.00 0.00 H new ATOM 0 HB3 LEU A 48 11.828 16.746 -34.750 1.00 0.00 H new ATOM 0 HG LEU A 48 9.662 14.700 -34.888 1.00 0.00 H new ATOM 0 HD11 LEU A 48 8.445 15.922 -36.674 1.00 0.00 H new ATOM 0 HD12 LEU A 48 8.349 16.794 -35.126 1.00 0.00 H new ATOM 0 HD13 LEU A 48 9.468 17.351 -36.393 1.00 0.00 H new ATOM 0 HD21 LEU A 48 10.476 14.573 -37.227 1.00 0.00 H new ATOM 0 HD22 LEU A 48 11.498 16.003 -36.949 1.00 0.00 H new ATOM 0 HD23 LEU A 48 11.829 14.489 -36.074 1.00 0.00 H new ATOM 1028 N LYS A 49 13.581 15.075 -33.783 1.00 0.00 N ATOM 1029 CA LYS A 49 14.743 14.206 -34.171 1.00 0.00 C ATOM 1030 C LYS A 49 14.989 13.157 -33.076 1.00 0.00 C ATOM 1031 O LYS A 49 15.254 11.992 -33.369 1.00 0.00 O ATOM 1032 CB LYS A 49 16.010 15.054 -34.350 1.00 0.00 C ATOM 1033 CG LYS A 49 15.848 15.966 -35.568 1.00 0.00 C ATOM 1034 CD LYS A 49 16.290 15.219 -36.829 1.00 0.00 C ATOM 1035 CE LYS A 49 17.778 15.472 -37.079 1.00 0.00 C ATOM 1036 NZ LYS A 49 17.944 16.720 -37.876 1.00 0.00 N ATOM 0 H LYS A 49 13.775 16.076 -33.755 1.00 0.00 H new ATOM 0 HA LYS A 49 14.509 13.712 -35.114 1.00 0.00 H new ATOM 0 HB2 LYS A 49 16.189 15.652 -33.456 1.00 0.00 H new ATOM 0 HB3 LYS A 49 16.878 14.407 -34.480 1.00 0.00 H new ATOM 0 HG2 LYS A 49 14.809 16.280 -35.664 1.00 0.00 H new ATOM 0 HG3 LYS A 49 16.444 16.870 -35.440 1.00 0.00 H new ATOM 0 HD2 LYS A 49 16.106 14.151 -36.714 1.00 0.00 H new ATOM 0 HD3 LYS A 49 15.705 15.553 -37.686 1.00 0.00 H new ATOM 0 HE2 LYS A 49 18.307 15.561 -36.130 1.00 0.00 H new ATOM 0 HE3 LYS A 49 18.217 14.628 -37.610 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 18.956 16.892 -38.046 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 17.453 16.618 -38.787 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 17.540 17.523 -37.352 1.00 0.00 H new ATOM 1037 N MET A 50 14.905 13.538 -31.819 1.00 0.00 N ATOM 1038 CA MET A 50 15.135 12.551 -30.726 1.00 0.00 C ATOM 1039 C MET A 50 13.789 12.184 -30.079 1.00 0.00 C ATOM 1040 O MET A 50 13.585 12.392 -28.883 1.00 0.00 O ATOM 1041 CB MET A 50 16.063 13.165 -29.674 1.00 0.00 C ATOM 1042 CG MET A 50 17.408 13.512 -30.319 1.00 0.00 C ATOM 1043 SD MET A 50 18.737 13.249 -29.119 1.00 0.00 S ATOM 1044 CE MET A 50 19.677 12.039 -30.082 1.00 0.00 C ATOM 0 H MET A 50 14.688 14.486 -31.511 1.00 0.00 H new ATOM 0 HA MET A 50 15.597 11.652 -31.134 1.00 0.00 H new ATOM 0 HB2 MET A 50 15.608 14.061 -29.251 1.00 0.00 H new ATOM 0 HB3 MET A 50 16.212 12.465 -28.852 1.00 0.00 H new ATOM 0 HG2 MET A 50 17.571 12.892 -31.201 1.00 0.00 H new ATOM 0 HG3 MET A 50 17.406 14.549 -30.654 1.00 0.00 H new ATOM 0 HE1 MET A 50 19.898 11.172 -29.460 1.00 0.00 H new ATOM 0 HE2 MET A 50 19.090 11.726 -30.946 1.00 0.00 H new ATOM 0 HE3 MET A 50 20.610 12.489 -30.421 1.00 0.00 H new ATOM 1045 N ARG A 51 12.863 11.643 -30.842 1.00 0.00 N ATOM 1046 CA ARG A 51 11.542 11.271 -30.257 1.00 0.00 C ATOM 1047 C ARG A 51 11.465 9.745 -30.096 1.00 0.00 C ATOM 1048 O ARG A 51 11.753 8.999 -31.031 1.00 0.00 O ATOM 1049 CB ARG A 51 10.421 11.750 -31.192 1.00 0.00 C ATOM 1050 CG ARG A 51 9.411 12.596 -30.407 1.00 0.00 C ATOM 1051 CD ARG A 51 8.544 13.400 -31.379 1.00 0.00 C ATOM 1052 NE ARG A 51 8.341 14.775 -30.841 1.00 0.00 N ATOM 1053 CZ ARG A 51 7.318 15.030 -30.071 1.00 0.00 C ATOM 1054 NH1 ARG A 51 7.366 14.731 -28.801 1.00 0.00 N ATOM 1055 NH2 ARG A 51 6.247 15.585 -30.570 1.00 0.00 N ATOM 0 H ARG A 51 12.969 11.446 -31.837 1.00 0.00 H new ATOM 0 HA ARG A 51 11.427 11.742 -29.281 1.00 0.00 H new ATOM 0 HB2 ARG A 51 10.843 12.336 -32.009 1.00 0.00 H new ATOM 0 HB3 ARG A 51 9.919 10.893 -31.641 1.00 0.00 H new ATOM 0 HG2 ARG A 51 8.783 11.952 -29.792 1.00 0.00 H new ATOM 0 HG3 ARG A 51 9.935 13.270 -29.730 1.00 0.00 H new ATOM 0 HD2 ARG A 51 9.023 13.447 -32.357 1.00 0.00 H new ATOM 0 HD3 ARG A 51 7.582 12.907 -31.519 1.00 0.00 H new ATOM 0 HE ARG A 51 9.001 15.517 -31.074 1.00 0.00 H new ATOM 0 HH11 ARG A 51 8.203 14.298 -28.410 1.00 0.00 H new ATOM 0 HH12 ARG A 51 6.567 14.930 -28.200 1.00 0.00 H new ATOM 0 HH21 ARG A 51 6.209 15.820 -31.562 1.00 0.00 H new ATOM 0 HH22 ARG A 51 5.448 15.784 -29.968 1.00 0.00 H new ATOM 1056 N GLY A 52 11.083 9.261 -28.934 1.00 0.00 N ATOM 1057 CA GLY A 52 10.993 7.784 -28.733 1.00 0.00 C ATOM 1058 C GLY A 52 12.404 7.185 -28.624 1.00 0.00 C ATOM 1059 O GLY A 52 12.668 6.106 -29.152 1.00 0.00 O ATOM 0 H GLY A 52 10.832 9.826 -28.123 1.00 0.00 H new ATOM 0 HA2 GLY A 52 10.425 7.565 -27.829 1.00 0.00 H new ATOM 0 HA3 GLY A 52 10.457 7.327 -29.565 1.00 0.00 H new ATOM 1060 N GLN A 53 13.318 7.854 -27.952 1.00 0.00 N ATOM 1061 CA GLN A 53 14.700 7.300 -27.825 1.00 0.00 C ATOM 1062 C GLN A 53 15.342 7.797 -26.519 1.00 0.00 C ATOM 1063 O GLN A 53 15.080 8.915 -26.077 1.00 0.00 O ATOM 1064 CB GLN A 53 15.546 7.760 -29.015 1.00 0.00 C ATOM 1065 CG GLN A 53 15.478 9.284 -29.133 1.00 0.00 C ATOM 1066 CD GLN A 53 16.692 9.791 -29.922 1.00 0.00 C ATOM 1067 OE1 GLN A 53 17.510 10.539 -29.391 1.00 0.00 O ATOM 1068 NE2 GLN A 53 16.858 9.427 -31.170 1.00 0.00 N ATOM 0 H GLN A 53 13.164 8.751 -27.492 1.00 0.00 H new ATOM 0 HA GLN A 53 14.650 6.211 -27.811 1.00 0.00 H new ATOM 0 HB2 GLN A 53 16.580 7.441 -28.884 1.00 0.00 H new ATOM 0 HB3 GLN A 53 15.183 7.297 -29.933 1.00 0.00 H new ATOM 0 HG2 GLN A 53 14.556 9.580 -29.634 1.00 0.00 H new ATOM 0 HG3 GLN A 53 15.461 9.736 -28.141 1.00 0.00 H new ATOM 0 HE21 GLN A 53 16.182 8.806 -31.615 1.00 0.00 H new ATOM 0 HE22 GLN A 53 17.664 9.764 -31.697 1.00 0.00 H new ATOM 1069 N ALA A 54 16.175 6.995 -25.889 1.00 0.00 N ATOM 1070 CA ALA A 54 16.815 7.444 -24.616 1.00 0.00 C ATOM 1071 C ALA A 54 18.286 6.999 -24.585 1.00 0.00 C ATOM 1072 O ALA A 54 18.741 6.257 -25.453 1.00 0.00 O ATOM 1073 CB ALA A 54 16.072 6.826 -23.431 1.00 0.00 C ATOM 0 H ALA A 54 16.434 6.059 -26.201 1.00 0.00 H new ATOM 0 HA ALA A 54 16.768 8.531 -24.554 1.00 0.00 H new ATOM 0 HB1 ALA A 54 16.537 7.152 -22.500 1.00 0.00 H new ATOM 0 HB2 ALA A 54 15.030 7.146 -23.448 1.00 0.00 H new ATOM 0 HB3 ALA A 54 16.119 5.739 -23.499 1.00 0.00 H new ATOM 1074 N PHE A 55 19.042 7.434 -23.598 1.00 0.00 N ATOM 1075 CA PHE A 55 20.475 7.029 -23.517 1.00 0.00 C ATOM 1076 C PHE A 55 20.790 6.596 -22.077 1.00 0.00 C ATOM 1077 O PHE A 55 20.340 7.226 -21.122 1.00 0.00 O ATOM 1078 CB PHE A 55 21.366 8.217 -23.891 1.00 0.00 C ATOM 1079 CG PHE A 55 21.188 8.551 -25.353 1.00 0.00 C ATOM 1080 CD1 PHE A 55 19.980 9.098 -25.805 1.00 0.00 C ATOM 1081 CD2 PHE A 55 22.232 8.319 -26.255 1.00 0.00 C ATOM 1082 CE1 PHE A 55 19.820 9.413 -27.160 1.00 0.00 C ATOM 1083 CE2 PHE A 55 22.070 8.631 -27.610 1.00 0.00 C ATOM 1084 CZ PHE A 55 20.864 9.180 -28.063 1.00 0.00 C ATOM 0 H PHE A 55 18.723 8.050 -22.850 1.00 0.00 H new ATOM 0 HA PHE A 55 20.662 6.205 -24.205 1.00 0.00 H new ATOM 0 HB2 PHE A 55 21.111 9.081 -23.278 1.00 0.00 H new ATOM 0 HB3 PHE A 55 22.410 7.978 -23.688 1.00 0.00 H new ATOM 0 HD1 PHE A 55 19.173 9.276 -25.109 1.00 0.00 H new ATOM 0 HD2 PHE A 55 23.164 7.899 -25.906 1.00 0.00 H new ATOM 0 HE1 PHE A 55 18.890 9.836 -27.509 1.00 0.00 H new ATOM 0 HE2 PHE A 55 22.875 8.448 -28.306 1.00 0.00 H new ATOM 0 HZ PHE A 55 20.739 9.423 -29.108 1.00 0.00 H new ATOM 1085 N VAL A 56 21.549 5.535 -21.890 1.00 0.00 N ATOM 1086 CA VAL A 56 21.869 5.092 -20.498 1.00 0.00 C ATOM 1087 C VAL A 56 23.392 5.022 -20.312 1.00 0.00 C ATOM 1088 O VAL A 56 24.112 4.562 -21.193 1.00 0.00 O ATOM 1089 CB VAL A 56 21.260 3.709 -20.248 1.00 0.00 C ATOM 1090 CG1 VAL A 56 21.563 3.257 -18.815 1.00 0.00 C ATOM 1091 CG2 VAL A 56 19.745 3.776 -20.451 1.00 0.00 C ATOM 0 H VAL A 56 21.954 4.966 -22.634 1.00 0.00 H new ATOM 0 HA VAL A 56 21.452 5.807 -19.789 1.00 0.00 H new ATOM 0 HB VAL A 56 21.693 2.995 -20.948 1.00 0.00 H new ATOM 0 HG11 VAL A 56 21.127 2.273 -18.644 1.00 0.00 H new ATOM 0 HG12 VAL A 56 22.642 3.206 -18.670 1.00 0.00 H new ATOM 0 HG13 VAL A 56 21.136 3.970 -18.110 1.00 0.00 H new ATOM 0 HG21 VAL A 56 19.310 2.792 -20.273 1.00 0.00 H new ATOM 0 HG22 VAL A 56 19.316 4.494 -19.752 1.00 0.00 H new ATOM 0 HG23 VAL A 56 19.528 4.089 -21.472 1.00 0.00 H new ATOM 1092 N ILE A 57 23.902 5.458 -19.181 1.00 0.00 N ATOM 1093 CA ILE A 57 25.374 5.396 -18.958 1.00 0.00 C ATOM 1094 C ILE A 57 25.665 4.404 -17.825 1.00 0.00 C ATOM 1095 O ILE A 57 25.151 4.549 -16.718 1.00 0.00 O ATOM 1096 CB ILE A 57 25.894 6.784 -18.576 1.00 0.00 C ATOM 1097 CG1 ILE A 57 25.486 7.800 -19.653 1.00 0.00 C ATOM 1098 CG2 ILE A 57 27.419 6.743 -18.465 1.00 0.00 C ATOM 1099 CD1 ILE A 57 25.100 9.128 -18.996 1.00 0.00 C ATOM 0 H ILE A 57 23.361 5.851 -18.411 1.00 0.00 H new ATOM 0 HA ILE A 57 25.873 5.068 -19.870 1.00 0.00 H new ATOM 0 HB ILE A 57 25.467 7.081 -17.618 1.00 0.00 H new ATOM 0 HG12 ILE A 57 26.310 7.955 -20.350 1.00 0.00 H new ATOM 0 HG13 ILE A 57 24.647 7.413 -20.232 1.00 0.00 H new ATOM 0 HG21 ILE A 57 27.791 7.731 -18.193 1.00 0.00 H new ATOM 0 HG22 ILE A 57 27.709 6.023 -17.700 1.00 0.00 H new ATOM 0 HG23 ILE A 57 27.846 6.446 -19.423 1.00 0.00 H new ATOM 0 HD11 ILE A 57 24.812 9.844 -19.765 1.00 0.00 H new ATOM 0 HD12 ILE A 57 24.263 8.968 -18.317 1.00 0.00 H new ATOM 0 HD13 ILE A 57 25.951 9.518 -18.437 1.00 0.00 H new ATOM 1100 N PHE A 58 26.473 3.393 -18.072 1.00 0.00 N ATOM 1101 CA PHE A 58 26.773 2.407 -16.994 1.00 0.00 C ATOM 1102 C PHE A 58 28.144 2.722 -16.380 1.00 0.00 C ATOM 1103 O PHE A 58 29.008 3.303 -17.036 1.00 0.00 O ATOM 1104 CB PHE A 58 26.793 0.996 -17.584 1.00 0.00 C ATOM 1105 CG PHE A 58 25.436 0.352 -17.415 1.00 0.00 C ATOM 1106 CD1 PHE A 58 24.887 0.189 -16.135 1.00 0.00 C ATOM 1107 CD2 PHE A 58 24.727 -0.086 -18.540 1.00 0.00 C ATOM 1108 CE1 PHE A 58 23.631 -0.411 -15.983 1.00 0.00 C ATOM 1109 CE2 PHE A 58 23.471 -0.687 -18.386 1.00 0.00 C ATOM 1110 CZ PHE A 58 22.924 -0.849 -17.108 1.00 0.00 C ATOM 0 H PHE A 58 26.930 3.215 -18.966 1.00 0.00 H new ATOM 0 HA PHE A 58 26.005 2.468 -16.223 1.00 0.00 H new ATOM 0 HB2 PHE A 58 27.057 1.037 -18.641 1.00 0.00 H new ATOM 0 HB3 PHE A 58 27.555 0.395 -17.088 1.00 0.00 H new ATOM 0 HD1 PHE A 58 25.433 0.526 -15.266 1.00 0.00 H new ATOM 0 HD2 PHE A 58 25.148 0.039 -19.526 1.00 0.00 H new ATOM 0 HE1 PHE A 58 23.208 -0.536 -14.997 1.00 0.00 H new ATOM 0 HE2 PHE A 58 22.925 -1.025 -19.254 1.00 0.00 H new ATOM 0 HZ PHE A 58 21.956 -1.312 -16.990 1.00 0.00 H new ATOM 1111 N LYS A 59 28.370 2.351 -15.138 1.00 0.00 N ATOM 1112 CA LYS A 59 29.700 2.640 -14.509 1.00 0.00 C ATOM 1113 C LYS A 59 30.799 1.919 -15.303 1.00 0.00 C ATOM 1114 O LYS A 59 31.871 2.474 -15.539 1.00 0.00 O ATOM 1115 CB LYS A 59 29.725 2.151 -13.054 1.00 0.00 C ATOM 1116 CG LYS A 59 30.999 2.653 -12.369 1.00 0.00 C ATOM 1117 CD LYS A 59 31.173 1.941 -11.026 1.00 0.00 C ATOM 1118 CE LYS A 59 30.368 2.675 -9.951 1.00 0.00 C ATOM 1119 NZ LYS A 59 31.032 2.503 -8.628 1.00 0.00 N ATOM 0 H LYS A 59 27.700 1.867 -14.541 1.00 0.00 H new ATOM 0 HA LYS A 59 29.870 3.717 -14.521 1.00 0.00 H new ATOM 0 HB2 LYS A 59 28.846 2.514 -12.522 1.00 0.00 H new ATOM 0 HB3 LYS A 59 29.688 1.062 -13.024 1.00 0.00 H new ATOM 0 HG2 LYS A 59 31.864 2.467 -13.006 1.00 0.00 H new ATOM 0 HG3 LYS A 59 30.942 3.731 -12.216 1.00 0.00 H new ATOM 0 HD2 LYS A 59 30.837 0.907 -11.104 1.00 0.00 H new ATOM 0 HD3 LYS A 59 32.227 1.914 -10.751 1.00 0.00 H new ATOM 0 HE2 LYS A 59 30.293 3.734 -10.197 1.00 0.00 H new ATOM 0 HE3 LYS A 59 29.351 2.284 -9.913 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 30.485 3.002 -7.898 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 31.081 1.491 -8.393 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 31.994 2.896 -8.669 1.00 0.00 H new ATOM 1120 N GLU A 60 30.562 0.694 -15.723 1.00 0.00 N ATOM 1121 CA GLU A 60 31.599 -0.040 -16.495 1.00 0.00 C ATOM 1122 C GLU A 60 31.008 -0.512 -17.833 1.00 0.00 C ATOM 1123 O GLU A 60 29.804 -0.730 -17.947 1.00 0.00 O ATOM 1124 CB GLU A 60 32.076 -1.251 -15.689 1.00 0.00 C ATOM 1125 CG GLU A 60 33.458 -1.682 -16.184 1.00 0.00 C ATOM 1126 CD GLU A 60 34.050 -2.710 -15.216 1.00 0.00 C ATOM 1127 OE1 GLU A 60 33.798 -3.888 -15.407 1.00 0.00 O ATOM 1128 OE2 GLU A 60 34.744 -2.300 -14.300 1.00 0.00 O ATOM 0 H GLU A 60 29.696 0.180 -15.561 1.00 0.00 H new ATOM 0 HA GLU A 60 32.443 0.622 -16.687 1.00 0.00 H new ATOM 0 HB2 GLU A 60 32.119 -1.001 -14.629 1.00 0.00 H new ATOM 0 HB3 GLU A 60 31.368 -2.073 -15.794 1.00 0.00 H new ATOM 0 HG2 GLU A 60 33.381 -2.110 -17.183 1.00 0.00 H new ATOM 0 HG3 GLU A 60 34.116 -0.816 -16.258 1.00 0.00 H new ATOM 1129 N VAL A 61 31.828 -0.676 -18.848 1.00 0.00 N ATOM 1130 CA VAL A 61 31.292 -1.136 -20.173 1.00 0.00 C ATOM 1131 C VAL A 61 30.650 -2.527 -20.029 1.00 0.00 C ATOM 1132 O VAL A 61 29.672 -2.835 -20.707 1.00 0.00 O ATOM 1133 CB VAL A 61 32.424 -1.206 -21.210 1.00 0.00 C ATOM 1134 CG1 VAL A 61 31.851 -1.596 -22.575 1.00 0.00 C ATOM 1135 CG2 VAL A 61 33.101 0.163 -21.315 1.00 0.00 C ATOM 0 H VAL A 61 32.834 -0.513 -18.818 1.00 0.00 H new ATOM 0 HA VAL A 61 30.540 -0.421 -20.508 1.00 0.00 H new ATOM 0 HB VAL A 61 33.154 -1.954 -20.899 1.00 0.00 H new ATOM 0 HG11 VAL A 61 32.657 -1.645 -23.307 1.00 0.00 H new ATOM 0 HG12 VAL A 61 31.368 -2.570 -22.502 1.00 0.00 H new ATOM 0 HG13 VAL A 61 31.120 -0.851 -22.889 1.00 0.00 H new ATOM 0 HG21 VAL A 61 33.905 0.116 -22.050 1.00 0.00 H new ATOM 0 HG22 VAL A 61 32.369 0.908 -21.625 1.00 0.00 H new ATOM 0 HG23 VAL A 61 33.513 0.441 -20.345 1.00 0.00 H new ATOM 1136 N SER A 62 31.178 -3.382 -19.179 1.00 0.00 N ATOM 1137 CA SER A 62 30.578 -4.750 -19.028 1.00 0.00 C ATOM 1138 C SER A 62 29.098 -4.644 -18.618 1.00 0.00 C ATOM 1139 O SER A 62 28.276 -5.454 -19.040 1.00 0.00 O ATOM 1140 CB SER A 62 31.337 -5.550 -17.961 1.00 0.00 C ATOM 1141 OG SER A 62 31.033 -5.025 -16.675 1.00 0.00 O ATOM 0 H SER A 62 31.989 -3.194 -18.590 1.00 0.00 H new ATOM 0 HA SER A 62 30.653 -5.261 -19.988 1.00 0.00 H new ATOM 0 HB2 SER A 62 31.058 -6.602 -18.012 1.00 0.00 H new ATOM 0 HB3 SER A 62 32.410 -5.496 -18.144 1.00 0.00 H new ATOM 0 HG SER A 62 31.853 -4.688 -16.257 1.00 0.00 H new ATOM 1142 N SER A 63 28.733 -3.678 -17.800 1.00 0.00 N ATOM 1143 CA SER A 63 27.295 -3.564 -17.378 1.00 0.00 C ATOM 1144 C SER A 63 26.403 -3.270 -18.600 1.00 0.00 C ATOM 1145 O SER A 63 25.283 -3.777 -18.694 1.00 0.00 O ATOM 1146 CB SER A 63 27.127 -2.434 -16.355 1.00 0.00 C ATOM 1147 OG SER A 63 28.287 -2.366 -15.536 1.00 0.00 O ATOM 0 H SER A 63 29.359 -2.973 -17.411 1.00 0.00 H new ATOM 0 HA SER A 63 26.997 -4.510 -16.926 1.00 0.00 H new ATOM 0 HB2 SER A 63 26.973 -1.484 -16.867 1.00 0.00 H new ATOM 0 HB3 SER A 63 26.244 -2.612 -15.741 1.00 0.00 H new ATOM 0 HG SER A 63 28.184 -1.644 -14.882 1.00 0.00 H new ATOM 1148 N ALA A 64 26.868 -2.477 -19.543 1.00 0.00 N ATOM 1149 CA ALA A 64 26.026 -2.181 -20.744 1.00 0.00 C ATOM 1150 C ALA A 64 25.998 -3.399 -21.681 1.00 0.00 C ATOM 1151 O ALA A 64 25.076 -3.544 -22.479 1.00 0.00 O ATOM 1152 CB ALA A 64 26.587 -0.970 -21.502 1.00 0.00 C ATOM 0 H ALA A 64 27.784 -2.028 -19.531 1.00 0.00 H new ATOM 0 HA ALA A 64 25.013 -1.957 -20.409 1.00 0.00 H new ATOM 0 HB1 ALA A 64 25.965 -0.766 -22.373 1.00 0.00 H new ATOM 0 HB2 ALA A 64 26.590 -0.099 -20.846 1.00 0.00 H new ATOM 0 HB3 ALA A 64 27.606 -1.183 -21.826 1.00 0.00 H new ATOM 1153 N THR A 65 26.979 -4.281 -21.614 1.00 0.00 N ATOM 1154 CA THR A 65 26.960 -5.468 -22.519 1.00 0.00 C ATOM 1155 C THR A 65 25.855 -6.434 -22.067 1.00 0.00 C ATOM 1156 O THR A 65 25.123 -6.979 -22.891 1.00 0.00 O ATOM 1157 CB THR A 65 28.314 -6.192 -22.487 1.00 0.00 C ATOM 1158 OG1 THR A 65 29.358 -5.249 -22.689 1.00 0.00 O ATOM 1159 CG2 THR A 65 28.357 -7.248 -23.591 1.00 0.00 C ATOM 0 H THR A 65 27.776 -4.225 -20.980 1.00 0.00 H new ATOM 0 HA THR A 65 26.767 -5.131 -23.537 1.00 0.00 H new ATOM 0 HB THR A 65 28.444 -6.677 -21.520 1.00 0.00 H new ATOM 0 HG1 THR A 65 29.063 -4.566 -23.327 1.00 0.00 H new ATOM 0 HG21 THR A 65 29.319 -7.761 -23.567 1.00 0.00 H new ATOM 0 HG22 THR A 65 27.556 -7.971 -23.434 1.00 0.00 H new ATOM 0 HG23 THR A 65 28.227 -6.767 -24.560 1.00 0.00 H new ATOM 1160 N ASN A 66 25.711 -6.656 -20.777 1.00 0.00 N ATOM 1161 CA ASN A 66 24.641 -7.589 -20.300 1.00 0.00 C ATOM 1162 C ASN A 66 23.268 -6.967 -20.588 1.00 0.00 C ATOM 1163 O ASN A 66 22.349 -7.654 -21.031 1.00 0.00 O ATOM 1164 CB ASN A 66 24.780 -7.838 -18.793 1.00 0.00 C ATOM 1165 CG ASN A 66 26.201 -8.328 -18.485 1.00 0.00 C ATOM 1166 OD1 ASN A 66 26.756 -9.133 -19.229 1.00 0.00 O ATOM 1167 ND2 ASN A 66 26.829 -7.885 -17.422 1.00 0.00 N ATOM 0 H ASN A 66 26.282 -6.236 -20.044 1.00 0.00 H new ATOM 0 HA ASN A 66 24.739 -8.540 -20.823 1.00 0.00 H new ATOM 0 HB2 ASN A 66 24.572 -6.921 -18.241 1.00 0.00 H new ATOM 0 HB3 ASN A 66 24.050 -8.579 -18.467 1.00 0.00 H new ATOM 0 HD21 ASN A 66 27.774 -8.209 -17.216 1.00 0.00 H new ATOM 0 HD22 ASN A 66 26.372 -7.217 -16.801 1.00 0.00 H new ATOM 1168 N ALA A 67 23.103 -5.682 -20.351 1.00 0.00 N ATOM 1169 CA ALA A 67 21.774 -5.044 -20.626 1.00 0.00 C ATOM 1170 C ALA A 67 21.404 -5.228 -22.110 1.00 0.00 C ATOM 1171 O ALA A 67 20.232 -5.400 -22.445 1.00 0.00 O ATOM 1172 CB ALA A 67 21.824 -3.543 -20.304 1.00 0.00 C ATOM 0 H ALA A 67 23.821 -5.057 -19.984 1.00 0.00 H new ATOM 0 HA ALA A 67 21.024 -5.522 -19.996 1.00 0.00 H new ATOM 0 HB1 ALA A 67 20.852 -3.094 -20.509 1.00 0.00 H new ATOM 0 HB2 ALA A 67 22.073 -3.405 -19.252 1.00 0.00 H new ATOM 0 HB3 ALA A 67 22.583 -3.063 -20.922 1.00 0.00 H new ATOM 1173 N LEU A 68 22.366 -5.194 -23.011 1.00 0.00 N ATOM 1174 CA LEU A 68 22.031 -5.366 -24.463 1.00 0.00 C ATOM 1175 C LEU A 68 21.516 -6.791 -24.705 1.00 0.00 C ATOM 1176 O LEU A 68 20.514 -6.987 -25.388 1.00 0.00 O ATOM 1177 CB LEU A 68 23.274 -5.126 -25.331 1.00 0.00 C ATOM 1178 CG LEU A 68 22.844 -4.861 -26.776 1.00 0.00 C ATOM 1179 CD1 LEU A 68 22.738 -3.353 -27.010 1.00 0.00 C ATOM 1180 CD2 LEU A 68 23.884 -5.450 -27.733 1.00 0.00 C ATOM 0 H LEU A 68 23.355 -5.056 -22.805 1.00 0.00 H new ATOM 0 HA LEU A 68 21.263 -4.641 -24.733 1.00 0.00 H new ATOM 0 HB2 LEU A 68 23.840 -4.277 -24.947 1.00 0.00 H new ATOM 0 HB3 LEU A 68 23.933 -5.994 -25.290 1.00 0.00 H new ATOM 0 HG LEU A 68 21.875 -5.327 -26.957 1.00 0.00 H new ATOM 0 HD11 LEU A 68 22.432 -3.165 -28.039 1.00 0.00 H new ATOM 0 HD12 LEU A 68 22.000 -2.930 -26.329 1.00 0.00 H new ATOM 0 HD13 LEU A 68 23.707 -2.888 -26.829 1.00 0.00 H new ATOM 0 HD21 LEU A 68 23.579 -5.262 -28.762 1.00 0.00 H new ATOM 0 HD22 LEU A 68 24.852 -4.983 -27.550 1.00 0.00 H new ATOM 0 HD23 LEU A 68 23.962 -6.525 -27.568 1.00 0.00 H new ATOM 1181 N ARG A 69 22.176 -7.794 -24.163 1.00 0.00 N ATOM 1182 CA ARG A 69 21.703 -9.196 -24.378 1.00 0.00 C ATOM 1183 C ARG A 69 20.672 -9.625 -23.304 1.00 0.00 C ATOM 1184 O ARG A 69 20.306 -10.797 -23.237 1.00 0.00 O ATOM 1185 CB ARG A 69 22.910 -10.152 -24.352 1.00 0.00 C ATOM 1186 CG ARG A 69 23.528 -10.197 -22.943 1.00 0.00 C ATOM 1187 CD ARG A 69 25.056 -10.108 -23.036 1.00 0.00 C ATOM 1188 NE ARG A 69 25.665 -11.227 -22.265 1.00 0.00 N ATOM 1189 CZ ARG A 69 26.124 -12.276 -22.892 1.00 0.00 C ATOM 1190 NH1 ARG A 69 25.409 -12.844 -23.824 1.00 0.00 N ATOM 1191 NH2 ARG A 69 27.299 -12.756 -22.586 1.00 0.00 N ATOM 0 H ARG A 69 23.013 -7.699 -23.588 1.00 0.00 H new ATOM 0 HA ARG A 69 21.209 -9.241 -25.349 1.00 0.00 H new ATOM 0 HB2 ARG A 69 22.596 -11.152 -24.651 1.00 0.00 H new ATOM 0 HB3 ARG A 69 23.658 -9.824 -25.074 1.00 0.00 H new ATOM 0 HG2 ARG A 69 23.144 -9.373 -22.342 1.00 0.00 H new ATOM 0 HG3 ARG A 69 23.239 -11.120 -22.440 1.00 0.00 H new ATOM 0 HD2 ARG A 69 25.371 -10.156 -24.078 1.00 0.00 H new ATOM 0 HD3 ARG A 69 25.400 -9.151 -22.643 1.00 0.00 H new ATOM 0 HE ARG A 69 25.723 -11.174 -21.248 1.00 0.00 H new ATOM 0 HH11 ARG A 69 24.491 -12.468 -24.063 1.00 0.00 H new ATOM 0 HH12 ARG A 69 25.768 -13.664 -24.314 1.00 0.00 H new ATOM 0 HH21 ARG A 69 27.858 -12.311 -21.857 1.00 0.00 H new ATOM 0 HH22 ARG A 69 27.658 -13.576 -23.075 1.00 0.00 H new ATOM 1192 N SER A 70 20.190 -8.725 -22.464 1.00 0.00 N ATOM 1193 CA SER A 70 19.196 -9.134 -21.430 1.00 0.00 C ATOM 1194 C SER A 70 17.776 -8.779 -21.903 1.00 0.00 C ATOM 1195 O SER A 70 16.852 -9.579 -21.763 1.00 0.00 O ATOM 1196 CB SER A 70 19.491 -8.406 -20.116 1.00 0.00 C ATOM 1197 OG SER A 70 18.363 -8.510 -19.257 1.00 0.00 O ATOM 0 H SER A 70 20.445 -7.737 -22.457 1.00 0.00 H new ATOM 0 HA SER A 70 19.266 -10.210 -21.274 1.00 0.00 H new ATOM 0 HB2 SER A 70 20.369 -8.839 -19.636 1.00 0.00 H new ATOM 0 HB3 SER A 70 19.719 -7.358 -20.311 1.00 0.00 H new ATOM 0 HG SER A 70 18.633 -8.311 -18.336 1.00 0.00 H new ATOM 1198 N MET A 71 17.576 -7.602 -22.460 1.00 0.00 N ATOM 1199 CA MET A 71 16.213 -7.224 -22.929 1.00 0.00 C ATOM 1200 C MET A 71 16.163 -7.256 -24.464 1.00 0.00 C ATOM 1201 O MET A 71 15.516 -6.415 -25.086 1.00 0.00 O ATOM 1202 CB MET A 71 15.880 -5.812 -22.440 1.00 0.00 C ATOM 1203 CG MET A 71 15.520 -5.856 -20.955 1.00 0.00 C ATOM 1204 SD MET A 71 15.088 -4.192 -20.389 1.00 0.00 S ATOM 1205 CE MET A 71 13.422 -4.578 -19.800 1.00 0.00 C ATOM 0 H MET A 71 18.298 -6.896 -22.606 1.00 0.00 H new ATOM 0 HA MET A 71 15.487 -7.932 -22.530 1.00 0.00 H new ATOM 0 HB2 MET A 71 16.732 -5.151 -22.599 1.00 0.00 H new ATOM 0 HB3 MET A 71 15.048 -5.404 -23.014 1.00 0.00 H new ATOM 0 HG2 MET A 71 14.683 -6.535 -20.793 1.00 0.00 H new ATOM 0 HG3 MET A 71 16.360 -6.241 -20.377 1.00 0.00 H new ATOM 0 HE1 MET A 71 12.806 -3.679 -19.836 1.00 0.00 H new ATOM 0 HE2 MET A 71 12.981 -5.346 -20.435 1.00 0.00 H new ATOM 0 HE3 MET A 71 13.474 -4.941 -18.774 1.00 0.00 H new ATOM 1206 N GLN A 72 16.824 -8.206 -25.097 1.00 0.00 N ATOM 1207 CA GLN A 72 16.788 -8.263 -26.598 1.00 0.00 C ATOM 1208 C GLN A 72 15.325 -8.322 -27.066 1.00 0.00 C ATOM 1209 O GLN A 72 14.704 -9.383 -27.053 1.00 0.00 O ATOM 1210 CB GLN A 72 17.529 -9.510 -27.104 1.00 0.00 C ATOM 1211 CG GLN A 72 19.023 -9.204 -27.227 1.00 0.00 C ATOM 1212 CD GLN A 72 19.350 -8.821 -28.676 1.00 0.00 C ATOM 1213 OE1 GLN A 72 19.397 -9.683 -29.551 1.00 0.00 O ATOM 1214 NE2 GLN A 72 19.581 -7.568 -28.986 1.00 0.00 N ATOM 0 H GLN A 72 17.378 -8.933 -24.645 1.00 0.00 H new ATOM 0 HA GLN A 72 17.276 -7.374 -26.998 1.00 0.00 H new ATOM 0 HB2 GLN A 72 17.373 -10.342 -26.417 1.00 0.00 H new ATOM 0 HB3 GLN A 72 17.129 -9.816 -28.071 1.00 0.00 H new ATOM 0 HG2 GLN A 72 19.295 -8.390 -26.555 1.00 0.00 H new ATOM 0 HG3 GLN A 72 19.609 -10.073 -26.929 1.00 0.00 H new ATOM 0 HE21 GLN A 72 19.543 -6.849 -28.264 1.00 0.00 H new ATOM 0 HE22 GLN A 72 19.798 -7.313 -29.949 1.00 0.00 H new ATOM 1215 N GLY A 73 14.756 -7.206 -27.467 1.00 0.00 N ATOM 1216 CA GLY A 73 13.334 -7.219 -27.915 1.00 0.00 C ATOM 1217 C GLY A 73 12.440 -7.532 -26.709 1.00 0.00 C ATOM 1218 O GLY A 73 11.781 -8.570 -26.665 1.00 0.00 O ATOM 0 H GLY A 73 15.216 -6.296 -27.501 1.00 0.00 H new ATOM 0 HA2 GLY A 73 13.065 -6.254 -28.344 1.00 0.00 H new ATOM 0 HA3 GLY A 73 13.191 -7.966 -28.695 1.00 0.00 H new ATOM 1219 N PHE A 74 12.407 -6.664 -25.718 1.00 0.00 N ATOM 1220 CA PHE A 74 11.561 -6.936 -24.520 1.00 0.00 C ATOM 1221 C PHE A 74 10.524 -5.813 -24.349 1.00 0.00 C ATOM 1222 O PHE A 74 10.633 -4.774 -24.996 1.00 0.00 O ATOM 1223 CB PHE A 74 12.449 -7.001 -23.275 1.00 0.00 C ATOM 1224 CG PHE A 74 12.722 -8.443 -22.920 1.00 0.00 C ATOM 1225 CD1 PHE A 74 13.277 -9.304 -23.873 1.00 0.00 C ATOM 1226 CD2 PHE A 74 12.420 -8.918 -21.638 1.00 0.00 C ATOM 1227 CE1 PHE A 74 13.529 -10.641 -23.544 1.00 0.00 C ATOM 1228 CE2 PHE A 74 12.673 -10.255 -21.309 1.00 0.00 C ATOM 1229 CZ PHE A 74 13.228 -11.116 -22.263 1.00 0.00 C ATOM 0 H PHE A 74 12.928 -5.787 -25.693 1.00 0.00 H new ATOM 0 HA PHE A 74 11.044 -7.886 -24.653 1.00 0.00 H new ATOM 0 HB2 PHE A 74 13.387 -6.477 -23.458 1.00 0.00 H new ATOM 0 HB3 PHE A 74 11.960 -6.497 -22.441 1.00 0.00 H new ATOM 0 HD1 PHE A 74 13.511 -8.937 -24.862 1.00 0.00 H new ATOM 0 HD2 PHE A 74 11.992 -8.253 -20.903 1.00 0.00 H new ATOM 0 HE1 PHE A 74 13.956 -11.306 -24.280 1.00 0.00 H new ATOM 0 HE2 PHE A 74 12.440 -10.622 -20.320 1.00 0.00 H new ATOM 0 HZ PHE A 74 13.424 -12.148 -22.010 1.00 0.00 H new ATOM 1230 N PRO A 75 9.544 -6.028 -23.486 1.00 0.00 N ATOM 1231 CA PRO A 75 8.496 -5.025 -23.235 1.00 0.00 C ATOM 1232 C PRO A 75 9.025 -3.916 -22.311 1.00 0.00 C ATOM 1233 O PRO A 75 9.636 -4.194 -21.279 1.00 0.00 O ATOM 1234 CB PRO A 75 7.383 -5.823 -22.548 1.00 0.00 C ATOM 1235 CG PRO A 75 8.056 -7.073 -21.936 1.00 0.00 C ATOM 1236 CD PRO A 75 9.384 -7.273 -22.689 1.00 0.00 C ATOM 0 HA PRO A 75 8.155 -4.528 -24.143 1.00 0.00 H new ATOM 0 HB2 PRO A 75 6.897 -5.226 -21.776 1.00 0.00 H new ATOM 0 HB3 PRO A 75 6.611 -6.108 -23.263 1.00 0.00 H new ATOM 0 HG2 PRO A 75 8.233 -6.934 -20.869 1.00 0.00 H new ATOM 0 HG3 PRO A 75 7.415 -7.948 -22.042 1.00 0.00 H new ATOM 0 HD2 PRO A 75 10.216 -7.413 -21.999 1.00 0.00 H new ATOM 0 HD3 PRO A 75 9.349 -8.154 -23.330 1.00 0.00 H new ATOM 1237 N PHE A 76 8.807 -2.666 -22.654 1.00 0.00 N ATOM 1238 CA PHE A 76 9.300 -1.556 -21.789 1.00 0.00 C ATOM 1239 C PHE A 76 8.132 -0.610 -21.476 1.00 0.00 C ATOM 1240 O PHE A 76 7.764 -0.424 -20.317 1.00 0.00 O ATOM 1241 CB PHE A 76 10.412 -0.793 -22.526 1.00 0.00 C ATOM 1242 CG PHE A 76 10.884 0.382 -21.696 1.00 0.00 C ATOM 1243 CD1 PHE A 76 11.158 0.220 -20.331 1.00 0.00 C ATOM 1244 CD2 PHE A 76 11.046 1.638 -22.295 1.00 0.00 C ATOM 1245 CE1 PHE A 76 11.594 1.311 -19.570 1.00 0.00 C ATOM 1246 CE2 PHE A 76 11.481 2.729 -21.533 1.00 0.00 C ATOM 1247 CZ PHE A 76 11.755 2.565 -20.170 1.00 0.00 C ATOM 0 H PHE A 76 8.310 -2.372 -23.495 1.00 0.00 H new ATOM 0 HA PHE A 76 9.700 -1.957 -20.858 1.00 0.00 H new ATOM 0 HB2 PHE A 76 11.248 -1.462 -22.729 1.00 0.00 H new ATOM 0 HB3 PHE A 76 10.044 -0.441 -23.490 1.00 0.00 H new ATOM 0 HD1 PHE A 76 11.033 -0.747 -19.866 1.00 0.00 H new ATOM 0 HD2 PHE A 76 10.835 1.765 -23.347 1.00 0.00 H new ATOM 0 HE1 PHE A 76 11.806 1.185 -18.519 1.00 0.00 H new ATOM 0 HE2 PHE A 76 11.605 3.697 -21.996 1.00 0.00 H new ATOM 0 HZ PHE A 76 12.091 3.406 -19.582 1.00 0.00 H new ATOM 1248 N TYR A 77 7.535 -0.009 -22.483 1.00 0.00 N ATOM 1249 CA TYR A 77 6.396 0.911 -22.231 1.00 0.00 C ATOM 1250 C TYR A 77 5.183 0.444 -23.050 1.00 0.00 C ATOM 1251 O TYR A 77 4.774 1.104 -24.005 1.00 0.00 O ATOM 1252 CB TYR A 77 6.785 2.330 -22.650 1.00 0.00 C ATOM 1253 CG TYR A 77 7.239 3.109 -21.438 1.00 0.00 C ATOM 1254 CD1 TYR A 77 8.350 2.678 -20.703 1.00 0.00 C ATOM 1255 CD2 TYR A 77 6.549 4.262 -21.053 1.00 0.00 C ATOM 1256 CE1 TYR A 77 8.770 3.403 -19.581 1.00 0.00 C ATOM 1257 CE2 TYR A 77 6.967 4.990 -19.932 1.00 0.00 C ATOM 1258 CZ TYR A 77 8.078 4.560 -19.196 1.00 0.00 C ATOM 1259 OH TYR A 77 8.491 5.274 -18.090 1.00 0.00 O ATOM 0 H TYR A 77 7.793 -0.121 -23.463 1.00 0.00 H new ATOM 0 HA TYR A 77 6.145 0.906 -21.170 1.00 0.00 H new ATOM 0 HB2 TYR A 77 7.582 2.295 -23.392 1.00 0.00 H new ATOM 0 HB3 TYR A 77 5.936 2.828 -23.118 1.00 0.00 H new ATOM 0 HD1 TYR A 77 8.883 1.787 -21.001 1.00 0.00 H new ATOM 0 HD2 TYR A 77 5.692 4.592 -21.621 1.00 0.00 H new ATOM 0 HE1 TYR A 77 9.626 3.071 -19.013 1.00 0.00 H new ATOM 0 HE2 TYR A 77 6.434 5.881 -19.636 1.00 0.00 H new ATOM 0 HH TYR A 77 9.416 5.035 -17.873 1.00 0.00 H new ATOM 1260 N ASP A 78 4.598 -0.684 -22.705 1.00 0.00 N ATOM 1261 CA ASP A 78 3.420 -1.180 -23.474 1.00 0.00 C ATOM 1262 C ASP A 78 3.820 -1.391 -24.942 1.00 0.00 C ATOM 1263 O ASP A 78 3.067 -1.054 -25.853 1.00 0.00 O ATOM 1264 CB ASP A 78 2.286 -0.154 -23.393 1.00 0.00 C ATOM 1265 CG ASP A 78 1.373 -0.494 -22.214 1.00 0.00 C ATOM 1266 OD1 ASP A 78 0.627 -1.453 -22.326 1.00 0.00 O ATOM 1267 OD2 ASP A 78 1.435 0.210 -21.220 1.00 0.00 O ATOM 0 H ASP A 78 4.889 -1.276 -21.927 1.00 0.00 H new ATOM 0 HA ASP A 78 3.082 -2.126 -23.051 1.00 0.00 H new ATOM 0 HB2 ASP A 78 2.696 0.848 -23.271 1.00 0.00 H new ATOM 0 HB3 ASP A 78 1.714 -0.154 -24.321 1.00 0.00 H new ATOM 1268 N LYS A 79 4.990 -1.941 -25.195 1.00 0.00 N ATOM 1269 CA LYS A 79 5.419 -2.163 -26.616 1.00 0.00 C ATOM 1270 C LYS A 79 6.792 -2.870 -26.646 1.00 0.00 C ATOM 1271 O LYS A 79 7.565 -2.741 -25.700 1.00 0.00 O ATOM 1272 CB LYS A 79 5.525 -0.805 -27.328 1.00 0.00 C ATOM 1273 CG LYS A 79 4.467 -0.706 -28.433 1.00 0.00 C ATOM 1274 CD LYS A 79 4.734 0.537 -29.287 1.00 0.00 C ATOM 1275 CE LYS A 79 4.384 0.247 -30.749 1.00 0.00 C ATOM 1276 NZ LYS A 79 3.676 1.423 -31.331 1.00 0.00 N ATOM 0 H LYS A 79 5.659 -2.242 -24.486 1.00 0.00 H new ATOM 0 HA LYS A 79 4.685 -2.790 -27.123 1.00 0.00 H new ATOM 0 HB2 LYS A 79 5.388 0.003 -26.609 1.00 0.00 H new ATOM 0 HB3 LYS A 79 6.521 -0.686 -27.755 1.00 0.00 H new ATOM 0 HG2 LYS A 79 4.492 -1.600 -29.056 1.00 0.00 H new ATOM 0 HG3 LYS A 79 3.471 -0.651 -27.994 1.00 0.00 H new ATOM 0 HD2 LYS A 79 4.141 1.375 -28.921 1.00 0.00 H new ATOM 0 HD3 LYS A 79 5.781 0.828 -29.205 1.00 0.00 H new ATOM 0 HE2 LYS A 79 5.290 0.037 -31.317 1.00 0.00 H new ATOM 0 HE3 LYS A 79 3.754 -0.640 -30.815 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 3.437 1.228 -32.324 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 2.804 1.604 -30.794 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 4.292 2.259 -31.281 1.00 0.00 H new ATOM 1277 N PRO A 80 7.077 -3.594 -27.715 1.00 0.00 N ATOM 1278 CA PRO A 80 8.360 -4.307 -27.848 1.00 0.00 C ATOM 1279 C PRO A 80 9.470 -3.322 -28.240 1.00 0.00 C ATOM 1280 O PRO A 80 9.212 -2.320 -28.907 1.00 0.00 O ATOM 1281 CB PRO A 80 8.103 -5.318 -28.968 1.00 0.00 C ATOM 1282 CG PRO A 80 6.913 -4.768 -29.790 1.00 0.00 C ATOM 1283 CD PRO A 80 6.172 -3.772 -28.878 1.00 0.00 C ATOM 0 HA PRO A 80 8.685 -4.786 -26.924 1.00 0.00 H new ATOM 0 HB2 PRO A 80 8.987 -5.435 -29.595 1.00 0.00 H new ATOM 0 HB3 PRO A 80 7.870 -6.301 -28.558 1.00 0.00 H new ATOM 0 HG2 PRO A 80 7.263 -4.276 -30.697 1.00 0.00 H new ATOM 0 HG3 PRO A 80 6.250 -5.576 -30.101 1.00 0.00 H new ATOM 0 HD2 PRO A 80 5.989 -2.826 -29.388 1.00 0.00 H new ATOM 0 HD3 PRO A 80 5.201 -4.161 -28.570 1.00 0.00 H new ATOM 1284 N MET A 81 10.700 -3.572 -27.842 1.00 0.00 N ATOM 1285 CA MET A 81 11.797 -2.627 -28.203 1.00 0.00 C ATOM 1286 C MET A 81 13.142 -3.368 -28.270 1.00 0.00 C ATOM 1287 O MET A 81 13.441 -4.218 -27.430 1.00 0.00 O ATOM 1288 CB MET A 81 11.881 -1.514 -27.152 1.00 0.00 C ATOM 1289 CG MET A 81 11.968 -2.127 -25.752 1.00 0.00 C ATOM 1290 SD MET A 81 12.996 -1.074 -24.698 1.00 0.00 S ATOM 1291 CE MET A 81 13.770 -2.399 -23.740 1.00 0.00 C ATOM 0 H MET A 81 10.984 -4.381 -27.290 1.00 0.00 H new ATOM 0 HA MET A 81 11.582 -2.196 -29.181 1.00 0.00 H new ATOM 0 HB2 MET A 81 12.754 -0.889 -27.340 1.00 0.00 H new ATOM 0 HB3 MET A 81 11.006 -0.868 -27.222 1.00 0.00 H new ATOM 0 HG2 MET A 81 10.971 -2.226 -25.324 1.00 0.00 H new ATOM 0 HG3 MET A 81 12.392 -3.130 -25.808 1.00 0.00 H new ATOM 0 HE1 MET A 81 14.458 -1.968 -23.013 1.00 0.00 H new ATOM 0 HE2 MET A 81 13.001 -2.968 -23.218 1.00 0.00 H new ATOM 0 HE3 MET A 81 14.318 -3.061 -24.411 1.00 0.00 H new ATOM 1292 N ARG A 82 13.966 -3.056 -29.249 1.00 0.00 N ATOM 1293 CA ARG A 82 15.289 -3.730 -29.356 1.00 0.00 C ATOM 1294 C ARG A 82 16.376 -2.742 -28.919 1.00 0.00 C ATOM 1295 O ARG A 82 16.275 -1.544 -29.183 1.00 0.00 O ATOM 1296 CB ARG A 82 15.534 -4.157 -30.805 1.00 0.00 C ATOM 1297 CG ARG A 82 16.284 -5.491 -30.827 1.00 0.00 C ATOM 1298 CD ARG A 82 15.278 -6.644 -30.885 1.00 0.00 C ATOM 1299 NE ARG A 82 15.837 -7.747 -31.717 1.00 0.00 N ATOM 1300 CZ ARG A 82 15.209 -8.133 -32.793 1.00 0.00 C ATOM 1301 NH1 ARG A 82 15.394 -7.499 -33.919 1.00 0.00 N ATOM 1302 NH2 ARG A 82 14.397 -9.154 -32.745 1.00 0.00 N ATOM 0 H ARG A 82 13.773 -2.364 -29.973 1.00 0.00 H new ATOM 0 HA ARG A 82 15.310 -4.614 -28.719 1.00 0.00 H new ATOM 0 HB2 ARG A 82 14.585 -4.253 -31.332 1.00 0.00 H new ATOM 0 HB3 ARG A 82 16.112 -3.394 -31.327 1.00 0.00 H new ATOM 0 HG2 ARG A 82 16.949 -5.532 -31.689 1.00 0.00 H new ATOM 0 HG3 ARG A 82 16.908 -5.584 -29.938 1.00 0.00 H new ATOM 0 HD2 ARG A 82 15.064 -7.005 -29.879 1.00 0.00 H new ATOM 0 HD3 ARG A 82 14.335 -6.297 -31.307 1.00 0.00 H new ATOM 0 HE ARG A 82 16.710 -8.200 -31.445 1.00 0.00 H new ATOM 0 HH11 ARG A 82 16.030 -6.702 -33.957 1.00 0.00 H new ATOM 0 HH12 ARG A 82 14.903 -7.801 -34.761 1.00 0.00 H new ATOM 0 HH21 ARG A 82 14.253 -9.650 -31.866 1.00 0.00 H new ATOM 0 HH22 ARG A 82 13.906 -9.455 -33.587 1.00 0.00 H new ATOM 1303 N ILE A 83 17.409 -3.203 -28.246 1.00 0.00 N ATOM 1304 CA ILE A 83 18.471 -2.260 -27.797 1.00 0.00 C ATOM 1305 C ILE A 83 19.727 -2.413 -28.666 1.00 0.00 C ATOM 1306 O ILE A 83 20.155 -3.524 -28.973 1.00 0.00 O ATOM 1307 CB ILE A 83 18.836 -2.548 -26.342 1.00 0.00 C ATOM 1308 CG1 ILE A 83 17.571 -2.529 -25.484 1.00 0.00 C ATOM 1309 CG2 ILE A 83 19.808 -1.476 -25.842 1.00 0.00 C ATOM 1310 CD1 ILE A 83 17.919 -2.961 -24.060 1.00 0.00 C ATOM 0 H ILE A 83 17.556 -4.180 -27.994 1.00 0.00 H new ATOM 0 HA ILE A 83 18.091 -1.243 -27.891 1.00 0.00 H new ATOM 0 HB ILE A 83 19.306 -3.529 -26.272 1.00 0.00 H new ATOM 0 HG12 ILE A 83 17.138 -1.529 -25.477 1.00 0.00 H new ATOM 0 HG13 ILE A 83 16.821 -3.198 -25.906 1.00 0.00 H new ATOM 0 HG21 ILE A 83 20.070 -1.679 -24.804 1.00 0.00 H new ATOM 0 HG22 ILE A 83 20.710 -1.489 -26.454 1.00 0.00 H new ATOM 0 HG23 ILE A 83 19.336 -0.496 -25.912 1.00 0.00 H new ATOM 0 HD11 ILE A 83 17.019 -2.948 -23.446 1.00 0.00 H new ATOM 0 HD12 ILE A 83 18.333 -3.969 -24.077 1.00 0.00 H new ATOM 0 HD13 ILE A 83 18.654 -2.274 -23.641 1.00 0.00 H new ATOM 1311 N GLN A 84 20.340 -1.315 -29.050 1.00 0.00 N ATOM 1312 CA GLN A 84 21.577 -1.393 -29.873 1.00 0.00 C ATOM 1313 C GLN A 84 22.639 -0.507 -29.213 1.00 0.00 C ATOM 1314 O GLN A 84 22.347 0.618 -28.815 1.00 0.00 O ATOM 1315 CB GLN A 84 21.302 -0.886 -31.292 1.00 0.00 C ATOM 1316 CG GLN A 84 20.034 -1.543 -31.848 1.00 0.00 C ATOM 1317 CD GLN A 84 18.853 -0.574 -31.705 1.00 0.00 C ATOM 1318 OE1 GLN A 84 17.841 -0.914 -31.097 1.00 0.00 O ATOM 1319 NE2 GLN A 84 18.921 0.624 -32.234 1.00 0.00 N ATOM 0 H GLN A 84 20.031 -0.370 -28.825 1.00 0.00 H new ATOM 0 HA GLN A 84 21.919 -2.426 -29.935 1.00 0.00 H new ATOM 0 HB2 GLN A 84 21.186 0.198 -31.283 1.00 0.00 H new ATOM 0 HB3 GLN A 84 22.151 -1.111 -31.938 1.00 0.00 H new ATOM 0 HG2 GLN A 84 20.177 -1.807 -32.896 1.00 0.00 H new ATOM 0 HG3 GLN A 84 19.826 -2.469 -31.312 1.00 0.00 H new ATOM 0 HE21 GLN A 84 19.759 0.911 -32.740 1.00 0.00 H new ATOM 0 HE22 GLN A 84 18.136 1.268 -32.140 1.00 0.00 H new ATOM 1320 N TYR A 85 23.861 -0.978 -29.073 1.00 0.00 N ATOM 1321 CA TYR A 85 24.918 -0.131 -28.415 1.00 0.00 C ATOM 1322 C TYR A 85 24.941 1.269 -29.057 1.00 0.00 C ATOM 1323 O TYR A 85 24.498 1.448 -30.191 1.00 0.00 O ATOM 1324 CB TYR A 85 26.297 -0.784 -28.576 1.00 0.00 C ATOM 1325 CG TYR A 85 26.704 -1.465 -27.288 1.00 0.00 C ATOM 1326 CD1 TYR A 85 26.660 -0.769 -26.070 1.00 0.00 C ATOM 1327 CD2 TYR A 85 27.148 -2.792 -27.316 1.00 0.00 C ATOM 1328 CE1 TYR A 85 27.060 -1.402 -24.889 1.00 0.00 C ATOM 1329 CE2 TYR A 85 27.544 -3.424 -26.131 1.00 0.00 C ATOM 1330 CZ TYR A 85 27.500 -2.728 -24.918 1.00 0.00 C ATOM 1331 OH TYR A 85 27.898 -3.345 -23.752 1.00 0.00 O ATOM 0 H TYR A 85 24.170 -1.900 -29.381 1.00 0.00 H new ATOM 0 HA TYR A 85 24.684 -0.043 -27.354 1.00 0.00 H new ATOM 0 HB2 TYR A 85 26.271 -1.511 -29.388 1.00 0.00 H new ATOM 0 HB3 TYR A 85 27.036 -0.030 -28.847 1.00 0.00 H new ATOM 0 HD1 TYR A 85 26.317 0.255 -26.045 1.00 0.00 H new ATOM 0 HD2 TYR A 85 27.185 -3.329 -28.252 1.00 0.00 H new ATOM 0 HE1 TYR A 85 27.029 -0.865 -23.953 1.00 0.00 H new ATOM 0 HE2 TYR A 85 27.884 -4.449 -26.153 1.00 0.00 H new ATOM 0 HH TYR A 85 28.355 -2.695 -23.178 1.00 0.00 H new ATOM 1332 N ALA A 86 25.441 2.266 -28.359 1.00 0.00 N ATOM 1333 CA ALA A 86 25.474 3.641 -28.949 1.00 0.00 C ATOM 1334 C ALA A 86 26.681 3.767 -29.889 1.00 0.00 C ATOM 1335 O ALA A 86 27.557 2.904 -29.907 1.00 0.00 O ATOM 1336 CB ALA A 86 25.589 4.694 -27.841 1.00 0.00 C ATOM 0 H ALA A 86 25.823 2.186 -27.417 1.00 0.00 H new ATOM 0 HA ALA A 86 24.551 3.806 -29.504 1.00 0.00 H new ATOM 0 HB1 ALA A 86 25.612 5.689 -28.286 1.00 0.00 H new ATOM 0 HB2 ALA A 86 24.731 4.615 -27.173 1.00 0.00 H new ATOM 0 HB3 ALA A 86 26.506 4.528 -27.275 1.00 0.00 H new ATOM 1337 N LYS A 87 26.752 4.826 -30.666 1.00 0.00 N ATOM 1338 CA LYS A 87 27.913 4.991 -31.590 1.00 0.00 C ATOM 1339 C LYS A 87 29.023 5.773 -30.873 1.00 0.00 C ATOM 1340 O LYS A 87 30.203 5.450 -31.000 1.00 0.00 O ATOM 1341 CB LYS A 87 27.478 5.754 -32.845 1.00 0.00 C ATOM 1342 CG LYS A 87 26.353 4.989 -33.543 1.00 0.00 C ATOM 1343 CD LYS A 87 25.836 5.809 -34.726 1.00 0.00 C ATOM 1344 CE LYS A 87 24.391 5.410 -35.031 1.00 0.00 C ATOM 1345 NZ LYS A 87 24.137 5.543 -36.493 1.00 0.00 N ATOM 0 H LYS A 87 26.060 5.575 -30.697 1.00 0.00 H new ATOM 0 HA LYS A 87 28.284 4.009 -31.882 1.00 0.00 H new ATOM 0 HB2 LYS A 87 27.139 6.755 -32.576 1.00 0.00 H new ATOM 0 HB3 LYS A 87 28.324 5.875 -33.521 1.00 0.00 H new ATOM 0 HG2 LYS A 87 26.717 4.021 -33.889 1.00 0.00 H new ATOM 0 HG3 LYS A 87 25.543 4.792 -32.841 1.00 0.00 H new ATOM 0 HD2 LYS A 87 25.890 6.873 -34.496 1.00 0.00 H new ATOM 0 HD3 LYS A 87 26.464 5.640 -35.601 1.00 0.00 H new ATOM 0 HE2 LYS A 87 24.211 4.384 -34.712 1.00 0.00 H new ATOM 0 HE3 LYS A 87 23.702 6.043 -34.472 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 23.155 5.272 -36.701 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 24.293 6.529 -36.784 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 24.786 4.921 -37.016 1.00 0.00 H new ATOM 1346 N THR A 88 28.677 6.795 -30.118 1.00 0.00 N ATOM 1347 CA THR A 88 29.721 7.578 -29.403 1.00 0.00 C ATOM 1348 C THR A 88 29.664 7.250 -27.903 1.00 0.00 C ATOM 1349 O THR A 88 28.828 6.462 -27.463 1.00 0.00 O ATOM 1350 CB THR A 88 29.469 9.074 -29.610 1.00 0.00 C ATOM 1351 OG1 THR A 88 28.085 9.347 -29.439 1.00 0.00 O ATOM 1352 CG2 THR A 88 29.898 9.475 -31.023 1.00 0.00 C ATOM 0 H THR A 88 27.719 7.113 -29.972 1.00 0.00 H new ATOM 0 HA THR A 88 30.704 7.320 -29.796 1.00 0.00 H new ATOM 0 HB THR A 88 30.046 9.644 -28.882 1.00 0.00 H new ATOM 0 HG1 THR A 88 27.922 10.304 -29.569 1.00 0.00 H new ATOM 0 HG21 THR A 88 29.718 10.540 -31.169 1.00 0.00 H new ATOM 0 HG22 THR A 88 30.959 9.265 -31.154 1.00 0.00 H new ATOM 0 HG23 THR A 88 29.322 8.906 -31.753 1.00 0.00 H new ATOM 1353 N ASP A 89 30.531 7.834 -27.103 1.00 0.00 N ATOM 1354 CA ASP A 89 30.508 7.541 -25.641 1.00 0.00 C ATOM 1355 C ASP A 89 30.005 8.775 -24.879 1.00 0.00 C ATOM 1356 O ASP A 89 29.855 9.851 -25.454 1.00 0.00 O ATOM 1357 CB ASP A 89 31.922 7.191 -25.168 1.00 0.00 C ATOM 1358 CG ASP A 89 32.401 5.925 -25.881 1.00 0.00 C ATOM 1359 OD1 ASP A 89 31.915 4.858 -25.545 1.00 0.00 O ATOM 1360 OD2 ASP A 89 33.248 6.044 -26.752 1.00 0.00 O ATOM 0 H ASP A 89 31.247 8.496 -27.403 1.00 0.00 H new ATOM 0 HA ASP A 89 29.842 6.700 -25.450 1.00 0.00 H new ATOM 0 HB2 ASP A 89 32.601 8.017 -25.376 1.00 0.00 H new ATOM 0 HB3 ASP A 89 31.928 7.038 -24.089 1.00 0.00 H new ATOM 1361 N SER A 90 29.739 8.647 -23.595 1.00 0.00 N ATOM 1362 CA SER A 90 29.250 9.822 -22.816 1.00 0.00 C ATOM 1363 C SER A 90 30.419 10.441 -22.040 1.00 0.00 C ATOM 1364 O SER A 90 31.442 9.791 -21.825 1.00 0.00 O ATOM 1365 CB SER A 90 28.168 9.368 -21.832 1.00 0.00 C ATOM 1366 OG SER A 90 28.771 9.032 -20.588 1.00 0.00 O ATOM 0 H SER A 90 29.841 7.783 -23.062 1.00 0.00 H new ATOM 0 HA SER A 90 28.833 10.563 -23.498 1.00 0.00 H new ATOM 0 HB2 SER A 90 27.434 10.161 -21.690 1.00 0.00 H new ATOM 0 HB3 SER A 90 27.634 8.507 -22.234 1.00 0.00 H new ATOM 0 HG SER A 90 28.868 8.059 -20.524 1.00 0.00 H new ATOM 1367 N ASP A 91 30.295 11.676 -21.604 1.00 0.00 N ATOM 1368 CA ASP A 91 31.397 12.302 -20.842 1.00 0.00 C ATOM 1369 C ASP A 91 31.090 12.314 -19.336 1.00 0.00 C ATOM 1370 O ASP A 91 31.916 12.781 -18.559 1.00 0.00 O ATOM 1371 CB ASP A 91 31.610 13.736 -21.330 1.00 0.00 C ATOM 1372 CG ASP A 91 32.827 14.340 -20.627 1.00 0.00 C ATOM 1373 OD1 ASP A 91 33.928 14.136 -21.111 1.00 0.00 O ATOM 1374 OD2 ASP A 91 32.637 14.996 -19.616 1.00 0.00 O ATOM 0 H ASP A 91 29.476 12.266 -21.749 1.00 0.00 H new ATOM 0 HA ASP A 91 32.301 11.716 -21.005 1.00 0.00 H new ATOM 0 HB2 ASP A 91 31.759 13.745 -22.410 1.00 0.00 H new ATOM 0 HB3 ASP A 91 30.724 14.336 -21.125 1.00 0.00 H new ATOM 1375 N ILE A 92 29.959 11.793 -18.882 1.00 0.00 N ATOM 1376 CA ILE A 92 29.720 11.777 -17.409 1.00 0.00 C ATOM 1377 C ILE A 92 30.798 10.876 -16.770 1.00 0.00 C ATOM 1378 O ILE A 92 31.226 11.112 -15.642 1.00 0.00 O ATOM 1379 CB ILE A 92 28.304 11.257 -17.082 1.00 0.00 C ATOM 1380 CG1 ILE A 92 28.185 9.760 -17.395 1.00 0.00 C ATOM 1381 CG2 ILE A 92 27.270 12.028 -17.905 1.00 0.00 C ATOM 1382 CD1 ILE A 92 28.608 8.951 -16.166 1.00 0.00 C ATOM 0 H ILE A 92 29.218 11.392 -19.457 1.00 0.00 H new ATOM 0 HA ILE A 92 29.785 12.788 -17.008 1.00 0.00 H new ATOM 0 HB ILE A 92 28.121 11.408 -16.018 1.00 0.00 H new ATOM 0 HG12 ILE A 92 27.159 9.515 -17.671 1.00 0.00 H new ATOM 0 HG13 ILE A 92 28.814 9.504 -18.247 1.00 0.00 H new ATOM 0 HG21 ILE A 92 26.271 11.659 -17.672 1.00 0.00 H new ATOM 0 HG22 ILE A 92 27.330 13.089 -17.663 1.00 0.00 H new ATOM 0 HG23 ILE A 92 27.471 11.886 -18.967 1.00 0.00 H new ATOM 0 HD11 ILE A 92 28.525 7.886 -16.385 1.00 0.00 H new ATOM 0 HD12 ILE A 92 29.641 9.189 -15.911 1.00 0.00 H new ATOM 0 HD13 ILE A 92 27.960 9.200 -15.326 1.00 0.00 H new ATOM 1383 N ILE A 93 31.280 9.865 -17.487 1.00 0.00 N ATOM 1384 CA ILE A 93 32.363 8.996 -16.914 1.00 0.00 C ATOM 1385 C ILE A 93 33.545 9.913 -16.582 1.00 0.00 C ATOM 1386 O ILE A 93 34.158 9.800 -15.530 1.00 0.00 O ATOM 1387 CB ILE A 93 32.833 7.906 -17.924 1.00 0.00 C ATOM 1388 CG1 ILE A 93 31.659 7.276 -18.713 1.00 0.00 C ATOM 1389 CG2 ILE A 93 33.563 6.786 -17.170 1.00 0.00 C ATOM 1390 CD1 ILE A 93 30.454 7.026 -17.801 1.00 0.00 C ATOM 0 H ILE A 93 30.971 9.615 -18.426 1.00 0.00 H new ATOM 0 HA ILE A 93 31.982 8.479 -16.034 1.00 0.00 H new ATOM 0 HB ILE A 93 33.494 8.400 -18.636 1.00 0.00 H new ATOM 0 HG12 ILE A 93 31.370 7.937 -19.530 1.00 0.00 H new ATOM 0 HG13 ILE A 93 31.981 6.336 -19.162 1.00 0.00 H new ATOM 0 HG21 ILE A 93 33.891 6.025 -17.878 1.00 0.00 H new ATOM 0 HG22 ILE A 93 34.430 7.199 -16.654 1.00 0.00 H new ATOM 0 HG23 ILE A 93 32.887 6.337 -16.442 1.00 0.00 H new ATOM 0 HD11 ILE A 93 29.644 6.583 -18.381 1.00 0.00 H new ATOM 0 HD12 ILE A 93 30.740 6.346 -16.999 1.00 0.00 H new ATOM 0 HD13 ILE A 93 30.119 7.971 -17.373 1.00 0.00 H new