USER MOD reduce.3.24.130724 H: found=0, std=0, add=736, rem=0, adj=22 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 71 MET CE :methyl -119:sc= -4.67! (180deg=-7.44!) USER MOD Set 1.2: A 81 MET CE :methyl 168:sc= -0.133 (180deg=-0.00176) USER MOD Set 2.1: A 12 TYR OH : rot 47:sc= -1.38! USER MOD Set 2.2: A 50 MET CE :methyl -178:sc= 0 (180deg=0) USER MOD Set 2.3: A 53 GLN : amide:sc= -1.66! C(o=-3!,f=-10!) USER MOD Single : A 8 ASN : amide:sc= -1.35 K(o=-1.3,f=-7.7!) USER MOD Single : A 9 HIS : no HE2:sc= -5.9 K(o=-5.9,f=-13!) USER MOD Single : A 10 THR OG1 : rot -18:sc= -0.0699 USER MOD Single : A 14 ASN : amide:sc= -0.0563 K(o=-0.056,f=-1.4) USER MOD Single : A 15 ASN : amide:sc= -0.0156 X(o=-0.016,f=-0.018) USER MOD Single : A 17 ASN : amide:sc= -1.28 X(o=-1.3,f=-1.4) USER MOD Single : A 19 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0646) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 SER OG : rot -82:sc= -0.133 USER MOD Single : A 30 HIS :FLIP no HD1:sc= -0.604 F(o=-3.9!,f=-0.6) USER MOD Single : A 34 SER OG : rot -100:sc= 0.903 USER MOD Single : A 38 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 45 SER OG : rot 180:sc= -0.438 USER MOD Single : A 47 SER OG : rot 180:sc= 0.0553 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= -0.0147 USER MOD Single : A 63 SER OG : rot 160:sc= -1.51! USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 ASN : amide:sc= 0 X(o=0,f=-0.12) USER MOD Single : A 70 SER OG : rot -174:sc= 1.61 USER MOD Single : A 72 GLN :FLIP amide:sc= -0.0375 F(o=-0.65,f=-0.037) USER MOD Single : A 77 TYR OH : rot -130:sc= -1.55 USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 GLN : amide:sc= -0.0132 K(o=-0.013,f=-1.1!) USER MOD Single : A 85 TYR OH : rot 180:sc= -2.88! USER MOD Single : A 87 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.000972) USER MOD Single : A 88 THR OG1 : rot 180:sc= 0 USER MOD Single : A 90 SER OG : rot 70:sc= -0.241 USER MOD ----------------------------------------------------------------- ATOM 682 N PRO A 7 31.577 -3.234 -27.845 1.00 0.00 N ATOM 683 CA PRO A 7 30.807 -2.783 -26.672 1.00 0.00 C ATOM 684 C PRO A 7 31.058 -1.290 -26.405 1.00 0.00 C ATOM 685 O PRO A 7 32.203 -0.854 -26.301 1.00 0.00 O ATOM 686 CB PRO A 7 31.351 -3.641 -25.527 1.00 0.00 C ATOM 687 CG PRO A 7 32.757 -4.113 -25.963 1.00 0.00 C ATOM 688 CD PRO A 7 32.807 -3.991 -27.497 1.00 0.00 C ATOM 0 HA PRO A 7 29.730 -2.891 -26.802 1.00 0.00 H new ATOM 0 HB2 PRO A 7 31.404 -3.066 -24.603 1.00 0.00 H new ATOM 0 HB3 PRO A 7 30.698 -4.492 -25.336 1.00 0.00 H new ATOM 0 HG2 PRO A 7 33.532 -3.501 -25.500 1.00 0.00 H new ATOM 0 HG3 PRO A 7 32.934 -5.142 -25.650 1.00 0.00 H new ATOM 0 HD2 PRO A 7 33.704 -3.466 -27.825 1.00 0.00 H new ATOM 0 HD3 PRO A 7 32.819 -4.971 -27.974 1.00 0.00 H new ATOM 689 N ASN A 8 30.016 -0.494 -26.290 1.00 0.00 N ATOM 690 CA ASN A 8 30.215 0.960 -26.029 1.00 0.00 C ATOM 691 C ASN A 8 29.984 1.247 -24.537 1.00 0.00 C ATOM 692 O ASN A 8 29.729 0.332 -23.755 1.00 0.00 O ATOM 693 CB ASN A 8 29.221 1.769 -26.868 1.00 0.00 C ATOM 694 CG ASN A 8 29.478 1.507 -28.357 1.00 0.00 C ATOM 695 OD1 ASN A 8 28.818 0.666 -28.962 1.00 0.00 O ATOM 696 ND2 ASN A 8 30.406 2.183 -28.989 1.00 0.00 N ATOM 0 H ASN A 8 29.044 -0.793 -26.366 1.00 0.00 H new ATOM 0 HA ASN A 8 31.232 1.244 -26.299 1.00 0.00 H new ATOM 0 HB2 ASN A 8 28.199 1.491 -26.610 1.00 0.00 H new ATOM 0 HB3 ASN A 8 29.326 2.832 -26.651 1.00 0.00 H new ATOM 0 HD21 ASN A 8 30.578 2.010 -29.979 1.00 0.00 H new ATOM 0 HD22 ASN A 8 30.956 2.882 -28.490 1.00 0.00 H new ATOM 697 N HIS A 9 30.070 2.492 -24.119 1.00 0.00 N ATOM 698 CA HIS A 9 29.853 2.807 -22.674 1.00 0.00 C ATOM 699 C HIS A 9 28.425 3.343 -22.440 1.00 0.00 C ATOM 700 O HIS A 9 28.191 4.076 -21.481 1.00 0.00 O ATOM 701 CB HIS A 9 30.866 3.873 -22.239 1.00 0.00 C ATOM 702 CG HIS A 9 31.350 3.585 -20.845 1.00 0.00 C ATOM 703 ND1 HIS A 9 32.687 3.351 -20.562 1.00 0.00 N ATOM 704 CD2 HIS A 9 30.693 3.496 -19.643 1.00 0.00 C ATOM 705 CE1 HIS A 9 32.790 3.136 -19.238 1.00 0.00 C ATOM 706 NE2 HIS A 9 31.604 3.213 -18.630 1.00 0.00 N ATOM 0 H HIS A 9 30.279 3.294 -24.713 1.00 0.00 H new ATOM 0 HA HIS A 9 29.984 1.895 -22.091 1.00 0.00 H new ATOM 0 HB2 HIS A 9 31.709 3.888 -22.930 1.00 0.00 H new ATOM 0 HB3 HIS A 9 30.406 4.860 -22.276 1.00 0.00 H new ATOM 0 HD1 HIS A 9 33.453 3.343 -21.235 1.00 0.00 H new ATOM 0 HD2 HIS A 9 29.630 3.626 -19.505 1.00 0.00 H new ATOM 0 HE1 HIS A 9 33.719 2.927 -18.729 1.00 0.00 H new ATOM 707 N THR A 10 27.461 2.999 -23.277 1.00 0.00 N ATOM 708 CA THR A 10 26.067 3.512 -23.061 1.00 0.00 C ATOM 709 C THR A 10 25.085 2.781 -23.994 1.00 0.00 C ATOM 710 O THR A 10 25.180 2.900 -25.212 1.00 0.00 O ATOM 711 CB THR A 10 26.020 5.016 -23.380 1.00 0.00 C ATOM 712 OG1 THR A 10 26.903 5.717 -22.519 1.00 0.00 O ATOM 713 CG2 THR A 10 24.596 5.557 -23.191 1.00 0.00 C ATOM 0 H THR A 10 27.581 2.393 -24.089 1.00 0.00 H new ATOM 0 HA THR A 10 25.785 3.337 -22.023 1.00 0.00 H new ATOM 0 HB THR A 10 26.324 5.161 -24.417 1.00 0.00 H new ATOM 0 HG1 THR A 10 27.116 5.157 -21.743 1.00 0.00 H new ATOM 0 HG21 THR A 10 24.578 6.622 -23.420 1.00 0.00 H new ATOM 0 HG22 THR A 10 23.915 5.030 -23.860 1.00 0.00 H new ATOM 0 HG23 THR A 10 24.282 5.403 -22.159 1.00 0.00 H new ATOM 714 N ILE A 11 24.128 2.052 -23.458 1.00 0.00 N ATOM 715 CA ILE A 11 23.153 1.362 -24.358 1.00 0.00 C ATOM 716 C ILE A 11 22.223 2.423 -24.968 1.00 0.00 C ATOM 717 O ILE A 11 22.280 3.595 -24.591 1.00 0.00 O ATOM 718 CB ILE A 11 22.334 0.319 -23.583 1.00 0.00 C ATOM 719 CG1 ILE A 11 21.567 0.996 -22.445 1.00 0.00 C ATOM 720 CG2 ILE A 11 23.278 -0.738 -23.000 1.00 0.00 C ATOM 721 CD1 ILE A 11 20.400 0.106 -22.012 1.00 0.00 C ATOM 0 H ILE A 11 23.985 1.909 -22.458 1.00 0.00 H new ATOM 0 HA ILE A 11 23.693 0.837 -25.146 1.00 0.00 H new ATOM 0 HB ILE A 11 21.624 -0.154 -24.262 1.00 0.00 H new ATOM 0 HG12 ILE A 11 22.233 1.176 -21.601 1.00 0.00 H new ATOM 0 HG13 ILE A 11 21.195 1.967 -22.771 1.00 0.00 H new ATOM 0 HG21 ILE A 11 22.699 -1.479 -22.450 1.00 0.00 H new ATOM 0 HG22 ILE A 11 23.819 -1.228 -23.809 1.00 0.00 H new ATOM 0 HG23 ILE A 11 23.988 -0.259 -22.326 1.00 0.00 H new ATOM 0 HD11 ILE A 11 19.855 0.590 -21.201 1.00 0.00 H new ATOM 0 HD12 ILE A 11 19.730 -0.052 -22.857 1.00 0.00 H new ATOM 0 HD13 ILE A 11 20.783 -0.855 -21.669 1.00 0.00 H new ATOM 722 N TYR A 12 21.380 2.055 -25.905 1.00 0.00 N ATOM 723 CA TYR A 12 20.477 3.068 -26.532 1.00 0.00 C ATOM 724 C TYR A 12 19.144 2.404 -26.919 1.00 0.00 C ATOM 725 O TYR A 12 19.113 1.252 -27.348 1.00 0.00 O ATOM 726 CB TYR A 12 21.174 3.637 -27.780 1.00 0.00 C ATOM 727 CG TYR A 12 20.224 4.501 -28.583 1.00 0.00 C ATOM 728 CD1 TYR A 12 19.872 5.777 -28.126 1.00 0.00 C ATOM 729 CD2 TYR A 12 19.697 4.020 -29.787 1.00 0.00 C ATOM 730 CE1 TYR A 12 18.995 6.571 -28.875 1.00 0.00 C ATOM 731 CE2 TYR A 12 18.821 4.813 -30.536 1.00 0.00 C ATOM 732 CZ TYR A 12 18.470 6.089 -30.081 1.00 0.00 C ATOM 733 OH TYR A 12 17.603 6.872 -30.819 1.00 0.00 O ATOM 0 H TYR A 12 21.280 1.104 -26.259 1.00 0.00 H new ATOM 0 HA TYR A 12 20.269 3.875 -25.830 1.00 0.00 H new ATOM 0 HB2 TYR A 12 22.042 4.225 -27.481 1.00 0.00 H new ATOM 0 HB3 TYR A 12 21.541 2.820 -28.401 1.00 0.00 H new ATOM 0 HD1 TYR A 12 20.277 6.149 -27.196 1.00 0.00 H new ATOM 0 HD2 TYR A 12 19.967 3.035 -30.138 1.00 0.00 H new ATOM 0 HE1 TYR A 12 18.723 7.555 -28.523 1.00 0.00 H new ATOM 0 HE2 TYR A 12 18.416 4.440 -31.465 1.00 0.00 H new ATOM 0 HH TYR A 12 17.969 7.777 -30.901 1.00 0.00 H new ATOM 734 N ILE A 13 18.040 3.110 -26.785 1.00 0.00 N ATOM 735 CA ILE A 13 16.726 2.511 -27.158 1.00 0.00 C ATOM 736 C ILE A 13 15.946 3.508 -28.027 1.00 0.00 C ATOM 737 O ILE A 13 15.841 4.686 -27.689 1.00 0.00 O ATOM 738 CB ILE A 13 15.927 2.199 -25.890 1.00 0.00 C ATOM 739 CG1 ILE A 13 16.761 1.297 -24.957 1.00 0.00 C ATOM 740 CG2 ILE A 13 14.629 1.483 -26.274 1.00 0.00 C ATOM 741 CD1 ILE A 13 17.047 2.032 -23.645 1.00 0.00 C ATOM 0 H ILE A 13 17.999 4.067 -26.436 1.00 0.00 H new ATOM 0 HA ILE A 13 16.888 1.589 -27.716 1.00 0.00 H new ATOM 0 HB ILE A 13 15.692 3.128 -25.371 1.00 0.00 H new ATOM 0 HG12 ILE A 13 16.223 0.370 -24.756 1.00 0.00 H new ATOM 0 HG13 ILE A 13 17.698 1.023 -25.443 1.00 0.00 H new ATOM 0 HG21 ILE A 13 14.057 1.259 -25.374 1.00 0.00 H new ATOM 0 HG22 ILE A 13 14.039 2.125 -26.928 1.00 0.00 H new ATOM 0 HG23 ILE A 13 14.866 0.555 -26.794 1.00 0.00 H new ATOM 0 HD11 ILE A 13 17.636 1.391 -22.990 1.00 0.00 H new ATOM 0 HD12 ILE A 13 17.603 2.946 -23.854 1.00 0.00 H new ATOM 0 HD13 ILE A 13 16.106 2.283 -23.156 1.00 0.00 H new ATOM 742 N ASN A 14 15.394 3.073 -29.139 1.00 0.00 N ATOM 743 CA ASN A 14 14.630 4.017 -30.004 1.00 0.00 C ATOM 744 C ASN A 14 13.252 3.419 -30.328 1.00 0.00 C ATOM 745 O ASN A 14 12.914 2.332 -29.863 1.00 0.00 O ATOM 746 CB ASN A 14 15.409 4.282 -31.301 1.00 0.00 C ATOM 747 CG ASN A 14 15.526 2.992 -32.127 1.00 0.00 C ATOM 748 OD1 ASN A 14 16.149 2.027 -31.691 1.00 0.00 O ATOM 749 ND2 ASN A 14 14.963 2.923 -33.309 1.00 0.00 N ATOM 0 H ASN A 14 15.442 2.112 -29.478 1.00 0.00 H new ATOM 0 HA ASN A 14 14.494 4.961 -29.476 1.00 0.00 H new ATOM 0 HB2 ASN A 14 14.904 5.051 -31.885 1.00 0.00 H new ATOM 0 HB3 ASN A 14 16.403 4.662 -31.065 1.00 0.00 H new ATOM 0 HD21 ASN A 14 15.043 2.070 -33.863 1.00 0.00 H new ATOM 0 HD22 ASN A 14 14.445 3.722 -33.675 1.00 0.00 H new ATOM 750 N ASN A 15 12.444 4.102 -31.111 1.00 0.00 N ATOM 751 CA ASN A 15 11.095 3.559 -31.443 1.00 0.00 C ATOM 752 C ASN A 15 10.304 3.347 -30.143 1.00 0.00 C ATOM 753 O ASN A 15 9.755 2.272 -29.906 1.00 0.00 O ATOM 754 CB ASN A 15 11.247 2.223 -32.176 1.00 0.00 C ATOM 755 CG ASN A 15 9.948 1.898 -32.924 1.00 0.00 C ATOM 756 OD1 ASN A 15 9.620 2.553 -33.911 1.00 0.00 O ATOM 757 ND2 ASN A 15 9.183 0.918 -32.511 1.00 0.00 N ATOM 0 H ASN A 15 12.664 5.006 -31.529 1.00 0.00 H new ATOM 0 HA ASN A 15 10.563 4.262 -32.085 1.00 0.00 H new ATOM 0 HB2 ASN A 15 12.080 2.274 -32.877 1.00 0.00 H new ATOM 0 HB3 ASN A 15 11.477 1.430 -31.464 1.00 0.00 H new ATOM 0 HD21 ASN A 15 8.319 0.701 -33.008 1.00 0.00 H new ATOM 0 HD22 ASN A 15 9.451 0.372 -31.692 1.00 0.00 H new ATOM 758 N LEU A 16 10.232 4.348 -29.291 1.00 0.00 N ATOM 759 CA LEU A 16 9.475 4.183 -28.013 1.00 0.00 C ATOM 760 C LEU A 16 8.005 4.567 -28.235 1.00 0.00 C ATOM 761 O LEU A 16 7.602 4.897 -29.350 1.00 0.00 O ATOM 762 CB LEU A 16 10.079 5.084 -26.926 1.00 0.00 C ATOM 763 CG LEU A 16 10.954 4.248 -25.990 1.00 0.00 C ATOM 764 CD1 LEU A 16 12.348 4.085 -26.601 1.00 0.00 C ATOM 765 CD2 LEU A 16 11.069 4.954 -24.638 1.00 0.00 C ATOM 0 H LEU A 16 10.662 5.263 -29.428 1.00 0.00 H new ATOM 0 HA LEU A 16 9.538 3.143 -27.693 1.00 0.00 H new ATOM 0 HB2 LEU A 16 10.673 5.875 -27.384 1.00 0.00 H new ATOM 0 HB3 LEU A 16 9.284 5.569 -26.360 1.00 0.00 H new ATOM 0 HG LEU A 16 10.503 3.265 -25.852 1.00 0.00 H new ATOM 0 HD11 LEU A 16 12.971 3.489 -25.933 1.00 0.00 H new ATOM 0 HD12 LEU A 16 12.266 3.583 -27.565 1.00 0.00 H new ATOM 0 HD13 LEU A 16 12.801 5.066 -26.740 1.00 0.00 H new ATOM 0 HD21 LEU A 16 11.692 4.360 -23.969 1.00 0.00 H new ATOM 0 HD22 LEU A 16 11.520 5.936 -24.778 1.00 0.00 H new ATOM 0 HD23 LEU A 16 10.077 5.069 -24.202 1.00 0.00 H new ATOM 766 N ASN A 17 7.193 4.537 -27.201 1.00 0.00 N ATOM 767 CA ASN A 17 5.755 4.907 -27.371 1.00 0.00 C ATOM 768 C ASN A 17 5.598 6.422 -27.191 1.00 0.00 C ATOM 769 O ASN A 17 6.345 7.047 -26.439 1.00 0.00 O ATOM 770 CB ASN A 17 4.902 4.175 -26.327 1.00 0.00 C ATOM 771 CG ASN A 17 3.418 4.472 -26.572 1.00 0.00 C ATOM 772 OD1 ASN A 17 2.974 4.521 -27.718 1.00 0.00 O ATOM 773 ND2 ASN A 17 2.615 4.672 -25.555 1.00 0.00 N ATOM 0 H ASN A 17 7.465 4.274 -26.254 1.00 0.00 H new ATOM 0 HA ASN A 17 5.423 4.619 -28.368 1.00 0.00 H new ATOM 0 HB2 ASN A 17 5.082 3.102 -26.384 1.00 0.00 H new ATOM 0 HB3 ASN A 17 5.186 4.493 -25.324 1.00 0.00 H new ATOM 0 HD21 ASN A 17 1.627 4.867 -25.716 1.00 0.00 H new ATOM 0 HD22 ASN A 17 2.978 4.632 -24.603 1.00 0.00 H new ATOM 774 N GLU A 18 4.646 7.032 -27.864 1.00 0.00 N ATOM 775 CA GLU A 18 4.462 8.508 -27.719 1.00 0.00 C ATOM 776 C GLU A 18 3.404 8.791 -26.640 1.00 0.00 C ATOM 777 O GLU A 18 2.412 9.474 -26.892 1.00 0.00 O ATOM 778 CB GLU A 18 4.010 9.106 -29.056 1.00 0.00 C ATOM 779 CG GLU A 18 5.236 9.480 -29.891 1.00 0.00 C ATOM 780 CD GLU A 18 5.561 10.961 -29.686 1.00 0.00 C ATOM 781 OE1 GLU A 18 4.871 11.785 -30.266 1.00 0.00 O ATOM 782 OE2 GLU A 18 6.494 11.248 -28.953 1.00 0.00 O ATOM 0 H GLU A 18 3.996 6.572 -28.501 1.00 0.00 H new ATOM 0 HA GLU A 18 5.408 8.963 -27.425 1.00 0.00 H new ATOM 0 HB2 GLU A 18 3.394 8.388 -29.597 1.00 0.00 H new ATOM 0 HB3 GLU A 18 3.393 9.988 -28.882 1.00 0.00 H new ATOM 0 HG2 GLU A 18 6.088 8.866 -29.600 1.00 0.00 H new ATOM 0 HG3 GLU A 18 5.045 9.281 -30.946 1.00 0.00 H new ATOM 783 N LYS A 19 3.593 8.289 -25.439 1.00 0.00 N ATOM 784 CA LYS A 19 2.596 8.542 -24.356 1.00 0.00 C ATOM 785 C LYS A 19 3.290 8.463 -22.985 1.00 0.00 C ATOM 786 O LYS A 19 2.726 7.948 -22.021 1.00 0.00 O ATOM 787 CB LYS A 19 1.486 7.492 -24.428 1.00 0.00 C ATOM 788 CG LYS A 19 0.817 7.558 -25.801 1.00 0.00 C ATOM 789 CD LYS A 19 -0.457 6.711 -25.793 1.00 0.00 C ATOM 790 CE LYS A 19 -0.904 6.449 -27.233 1.00 0.00 C ATOM 791 NZ LYS A 19 -1.323 7.731 -27.865 1.00 0.00 N ATOM 0 H LYS A 19 4.393 7.718 -25.167 1.00 0.00 H new ATOM 0 HA LYS A 19 2.166 9.535 -24.486 1.00 0.00 H new ATOM 0 HB2 LYS A 19 1.899 6.497 -24.259 1.00 0.00 H new ATOM 0 HB3 LYS A 19 0.750 7.669 -23.643 1.00 0.00 H new ATOM 0 HG2 LYS A 19 0.577 8.592 -26.050 1.00 0.00 H new ATOM 0 HG3 LYS A 19 1.502 7.196 -26.568 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -0.276 5.767 -25.280 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -1.245 7.226 -25.244 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -0.090 6.000 -27.802 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -1.730 5.738 -27.245 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -1.753 7.537 -28.792 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -2.017 8.208 -27.255 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -0.492 8.344 -27.990 1.00 0.00 H new ATOM 792 N ILE A 20 4.502 8.964 -22.875 1.00 0.00 N ATOM 793 CA ILE A 20 5.218 8.912 -21.567 1.00 0.00 C ATOM 794 C ILE A 20 5.213 10.313 -20.950 1.00 0.00 C ATOM 795 O ILE A 20 5.105 11.310 -21.664 1.00 0.00 O ATOM 796 CB ILE A 20 6.679 8.443 -21.756 1.00 0.00 C ATOM 797 CG1 ILE A 20 6.803 7.454 -22.935 1.00 0.00 C ATOM 798 CG2 ILE A 20 7.167 7.757 -20.470 1.00 0.00 C ATOM 799 CD1 ILE A 20 5.869 6.257 -22.726 1.00 0.00 C ATOM 0 H ILE A 20 5.020 9.404 -23.635 1.00 0.00 H new ATOM 0 HA ILE A 20 4.711 8.202 -20.913 1.00 0.00 H new ATOM 0 HB ILE A 20 7.290 9.319 -21.974 1.00 0.00 H new ATOM 0 HG12 ILE A 20 6.555 7.958 -23.869 1.00 0.00 H new ATOM 0 HG13 ILE A 20 7.833 7.109 -23.022 1.00 0.00 H new ATOM 0 HG21 ILE A 20 8.197 7.426 -20.603 1.00 0.00 H new ATOM 0 HG22 ILE A 20 7.116 8.462 -19.640 1.00 0.00 H new ATOM 0 HG23 ILE A 20 6.534 6.896 -20.254 1.00 0.00 H new ATOM 0 HD11 ILE A 20 5.967 5.568 -23.565 1.00 0.00 H new ATOM 0 HD12 ILE A 20 6.136 5.744 -21.802 1.00 0.00 H new ATOM 0 HD13 ILE A 20 4.838 6.606 -22.662 1.00 0.00 H new ATOM 800 N LYS A 21 5.315 10.422 -19.644 1.00 0.00 N ATOM 801 CA LYS A 21 5.298 11.777 -19.019 1.00 0.00 C ATOM 802 C LYS A 21 6.722 12.301 -18.735 1.00 0.00 C ATOM 803 O LYS A 21 6.882 13.198 -17.920 1.00 0.00 O ATOM 804 CB LYS A 21 4.504 11.727 -17.710 1.00 0.00 C ATOM 805 CG LYS A 21 3.713 13.026 -17.537 1.00 0.00 C ATOM 806 CD LYS A 21 2.683 12.852 -16.420 1.00 0.00 C ATOM 807 CE LYS A 21 1.443 12.143 -16.971 1.00 0.00 C ATOM 808 NZ LYS A 21 0.424 13.157 -17.361 1.00 0.00 N ATOM 0 H LYS A 21 5.408 9.640 -18.995 1.00 0.00 H new ATOM 0 HA LYS A 21 4.825 12.461 -19.724 1.00 0.00 H new ATOM 0 HB2 LYS A 21 3.825 10.875 -17.718 1.00 0.00 H new ATOM 0 HB3 LYS A 21 5.181 11.587 -16.868 1.00 0.00 H new ATOM 0 HG2 LYS A 21 4.389 13.847 -17.298 1.00 0.00 H new ATOM 0 HG3 LYS A 21 3.213 13.287 -18.470 1.00 0.00 H new ATOM 0 HD2 LYS A 21 3.112 12.273 -15.603 1.00 0.00 H new ATOM 0 HD3 LYS A 21 2.407 13.824 -16.011 1.00 0.00 H new ATOM 0 HE2 LYS A 21 1.713 11.533 -17.833 1.00 0.00 H new ATOM 0 HE3 LYS A 21 1.032 11.469 -16.219 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -0.419 12.676 -17.735 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 0.159 13.721 -16.528 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 0.819 13.783 -18.092 1.00 0.00 H new ATOM 809 N LYS A 22 7.741 11.794 -19.414 1.00 0.00 N ATOM 810 CA LYS A 22 9.157 12.277 -19.215 1.00 0.00 C ATOM 811 C LYS A 22 9.777 11.746 -17.906 1.00 0.00 C ATOM 812 O LYS A 22 10.609 10.842 -17.942 1.00 0.00 O ATOM 813 CB LYS A 22 9.221 13.811 -19.262 1.00 0.00 C ATOM 814 CG LYS A 22 8.569 14.305 -20.554 1.00 0.00 C ATOM 815 CD LYS A 22 8.266 15.799 -20.435 1.00 0.00 C ATOM 816 CE LYS A 22 9.576 16.591 -20.441 1.00 0.00 C ATOM 817 NZ LYS A 22 9.376 17.879 -21.164 1.00 0.00 N ATOM 0 H LYS A 22 7.646 11.053 -20.109 1.00 0.00 H new ATOM 0 HA LYS A 22 9.750 11.876 -20.037 1.00 0.00 H new ATOM 0 HB2 LYS A 22 8.709 14.234 -18.398 1.00 0.00 H new ATOM 0 HB3 LYS A 22 10.257 14.145 -19.214 1.00 0.00 H new ATOM 0 HG2 LYS A 22 9.232 14.124 -21.400 1.00 0.00 H new ATOM 0 HG3 LYS A 22 7.650 13.751 -20.745 1.00 0.00 H new ATOM 0 HD2 LYS A 22 7.632 16.119 -21.262 1.00 0.00 H new ATOM 0 HD3 LYS A 22 7.714 15.996 -19.516 1.00 0.00 H new ATOM 0 HE2 LYS A 22 9.902 16.783 -19.419 1.00 0.00 H new ATOM 0 HE3 LYS A 22 10.362 16.010 -20.923 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 10.266 18.417 -21.168 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 9.084 17.686 -22.143 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 8.638 18.434 -20.686 1.00 0.00 H new ATOM 818 N ASP A 23 9.409 12.268 -16.754 1.00 0.00 N ATOM 819 CA ASP A 23 10.003 11.752 -15.483 1.00 0.00 C ATOM 820 C ASP A 23 9.682 10.261 -15.374 1.00 0.00 C ATOM 821 O ASP A 23 10.486 9.484 -14.866 1.00 0.00 O ATOM 822 CB ASP A 23 9.417 12.488 -14.269 1.00 0.00 C ATOM 823 CG ASP A 23 10.179 12.080 -13.007 1.00 0.00 C ATOM 824 OD1 ASP A 23 9.807 11.085 -12.409 1.00 0.00 O ATOM 825 OD2 ASP A 23 11.123 12.772 -12.659 1.00 0.00 O ATOM 0 H ASP A 23 8.730 13.021 -16.644 1.00 0.00 H new ATOM 0 HA ASP A 23 11.080 11.916 -15.495 1.00 0.00 H new ATOM 0 HB2 ASP A 23 9.486 13.566 -14.416 1.00 0.00 H new ATOM 0 HB3 ASP A 23 8.359 12.248 -14.161 1.00 0.00 H new ATOM 826 N GLU A 24 8.524 9.838 -15.848 1.00 0.00 N ATOM 827 CA GLU A 24 8.195 8.391 -15.765 1.00 0.00 C ATOM 828 C GLU A 24 9.225 7.597 -16.583 1.00 0.00 C ATOM 829 O GLU A 24 9.681 6.537 -16.162 1.00 0.00 O ATOM 830 CB GLU A 24 6.788 8.120 -16.316 1.00 0.00 C ATOM 831 CG GLU A 24 5.745 8.721 -15.371 1.00 0.00 C ATOM 832 CD GLU A 24 5.436 7.725 -14.252 1.00 0.00 C ATOM 833 OE1 GLU A 24 6.162 7.720 -13.272 1.00 0.00 O ATOM 834 OE2 GLU A 24 4.477 6.983 -14.394 1.00 0.00 O ATOM 0 H GLU A 24 7.813 10.428 -16.279 1.00 0.00 H new ATOM 0 HA GLU A 24 8.222 8.082 -14.720 1.00 0.00 H new ATOM 0 HB2 GLU A 24 6.686 8.554 -17.311 1.00 0.00 H new ATOM 0 HB3 GLU A 24 6.626 7.047 -16.418 1.00 0.00 H new ATOM 0 HG2 GLU A 24 6.116 9.655 -14.949 1.00 0.00 H new ATOM 0 HG3 GLU A 24 4.835 8.960 -15.921 1.00 0.00 H new ATOM 835 N LEU A 25 9.602 8.083 -17.750 1.00 0.00 N ATOM 836 CA LEU A 25 10.605 7.340 -18.583 1.00 0.00 C ATOM 837 C LEU A 25 11.885 7.089 -17.770 1.00 0.00 C ATOM 838 O LEU A 25 12.487 6.022 -17.867 1.00 0.00 O ATOM 839 CB LEU A 25 10.968 8.162 -19.834 1.00 0.00 C ATOM 840 CG LEU A 25 11.307 7.236 -21.013 1.00 0.00 C ATOM 841 CD1 LEU A 25 12.462 6.303 -20.634 1.00 0.00 C ATOM 842 CD2 LEU A 25 10.071 6.410 -21.397 1.00 0.00 C ATOM 0 H LEU A 25 9.260 8.954 -18.156 1.00 0.00 H new ATOM 0 HA LEU A 25 10.165 6.389 -18.882 1.00 0.00 H new ATOM 0 HB2 LEU A 25 10.135 8.811 -20.103 1.00 0.00 H new ATOM 0 HB3 LEU A 25 11.818 8.808 -19.616 1.00 0.00 H new ATOM 0 HG LEU A 25 11.610 7.843 -21.866 1.00 0.00 H new ATOM 0 HD11 LEU A 25 12.694 5.651 -21.476 1.00 0.00 H new ATOM 0 HD12 LEU A 25 13.341 6.896 -20.381 1.00 0.00 H new ATOM 0 HD13 LEU A 25 12.173 5.697 -19.775 1.00 0.00 H new ATOM 0 HD21 LEU A 25 10.316 5.755 -22.233 1.00 0.00 H new ATOM 0 HD22 LEU A 25 9.757 5.808 -20.545 1.00 0.00 H new ATOM 0 HD23 LEU A 25 9.261 7.080 -21.686 1.00 0.00 H new ATOM 843 N LYS A 26 12.323 8.042 -16.978 1.00 0.00 N ATOM 844 CA LYS A 26 13.578 7.826 -16.180 1.00 0.00 C ATOM 845 C LYS A 26 13.343 6.759 -15.098 1.00 0.00 C ATOM 846 O LYS A 26 14.242 5.985 -14.782 1.00 0.00 O ATOM 847 CB LYS A 26 14.014 9.136 -15.509 1.00 0.00 C ATOM 848 CG LYS A 26 14.600 10.079 -16.562 1.00 0.00 C ATOM 849 CD LYS A 26 14.956 11.414 -15.906 1.00 0.00 C ATOM 850 CE LYS A 26 16.337 11.312 -15.256 1.00 0.00 C ATOM 851 NZ LYS A 26 16.632 12.572 -14.516 1.00 0.00 N ATOM 0 H LYS A 26 11.874 8.949 -16.850 1.00 0.00 H new ATOM 0 HA LYS A 26 14.361 7.489 -16.859 1.00 0.00 H new ATOM 0 HB2 LYS A 26 13.162 9.606 -15.018 1.00 0.00 H new ATOM 0 HB3 LYS A 26 14.755 8.932 -14.736 1.00 0.00 H new ATOM 0 HG2 LYS A 26 15.488 9.634 -17.011 1.00 0.00 H new ATOM 0 HG3 LYS A 26 13.881 10.236 -17.366 1.00 0.00 H new ATOM 0 HD2 LYS A 26 14.951 12.210 -16.651 1.00 0.00 H new ATOM 0 HD3 LYS A 26 14.208 11.674 -15.157 1.00 0.00 H new ATOM 0 HE2 LYS A 26 16.368 10.462 -14.575 1.00 0.00 H new ATOM 0 HE3 LYS A 26 17.097 11.138 -16.018 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 17.571 12.503 -14.074 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 16.619 13.374 -15.178 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 15.912 12.719 -13.780 1.00 0.00 H new ATOM 852 N LYS A 27 12.165 6.698 -14.515 1.00 0.00 N ATOM 853 CA LYS A 27 11.915 5.667 -13.454 1.00 0.00 C ATOM 854 C LYS A 27 11.913 4.248 -14.059 1.00 0.00 C ATOM 855 O LYS A 27 12.197 3.278 -13.357 1.00 0.00 O ATOM 856 CB LYS A 27 10.557 5.923 -12.781 1.00 0.00 C ATOM 857 CG LYS A 27 10.670 5.680 -11.270 1.00 0.00 C ATOM 858 CD LYS A 27 9.474 4.853 -10.787 1.00 0.00 C ATOM 859 CE LYS A 27 9.866 3.375 -10.721 1.00 0.00 C ATOM 860 NZ LYS A 27 8.642 2.543 -10.550 1.00 0.00 N ATOM 0 H LYS A 27 11.376 7.309 -14.725 1.00 0.00 H new ATOM 0 HA LYS A 27 12.715 5.741 -12.717 1.00 0.00 H new ATOM 0 HB2 LYS A 27 10.234 6.947 -12.971 1.00 0.00 H new ATOM 0 HB3 LYS A 27 9.800 5.266 -13.208 1.00 0.00 H new ATOM 0 HG2 LYS A 27 11.600 5.158 -11.045 1.00 0.00 H new ATOM 0 HG3 LYS A 27 10.703 6.632 -10.741 1.00 0.00 H new ATOM 0 HD2 LYS A 27 9.153 5.199 -9.805 1.00 0.00 H new ATOM 0 HD3 LYS A 27 8.630 4.986 -11.464 1.00 0.00 H new ATOM 0 HE2 LYS A 27 10.391 3.086 -11.632 1.00 0.00 H new ATOM 0 HE3 LYS A 27 10.552 3.207 -9.891 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 8.908 1.539 -10.505 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 8.159 2.813 -9.669 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 8.003 2.696 -11.356 1.00 0.00 H new ATOM 861 N SER A 28 11.589 4.089 -15.328 1.00 0.00 N ATOM 862 CA SER A 28 11.567 2.711 -15.915 1.00 0.00 C ATOM 863 C SER A 28 12.989 2.268 -16.298 1.00 0.00 C ATOM 864 O SER A 28 13.365 1.121 -16.069 1.00 0.00 O ATOM 865 CB SER A 28 10.679 2.686 -17.164 1.00 0.00 C ATOM 866 OG SER A 28 10.408 1.337 -17.522 1.00 0.00 O ATOM 0 H SER A 28 11.343 4.843 -15.970 1.00 0.00 H new ATOM 0 HA SER A 28 11.167 2.026 -15.167 1.00 0.00 H new ATOM 0 HB2 SER A 28 9.747 3.217 -16.972 1.00 0.00 H new ATOM 0 HB3 SER A 28 11.175 3.200 -17.987 1.00 0.00 H new ATOM 0 HG SER A 28 11.163 0.976 -18.033 1.00 0.00 H new ATOM 867 N LEU A 29 13.787 3.136 -16.880 1.00 0.00 N ATOM 868 CA LEU A 29 15.175 2.715 -17.275 1.00 0.00 C ATOM 869 C LEU A 29 15.988 2.345 -16.027 1.00 0.00 C ATOM 870 O LEU A 29 16.623 1.294 -15.976 1.00 0.00 O ATOM 871 CB LEU A 29 15.887 3.854 -18.016 1.00 0.00 C ATOM 872 CG LEU A 29 15.423 3.888 -19.472 1.00 0.00 C ATOM 873 CD1 LEU A 29 16.021 5.111 -20.170 1.00 0.00 C ATOM 874 CD2 LEU A 29 15.889 2.617 -20.184 1.00 0.00 C ATOM 0 H LEU A 29 13.544 4.103 -17.096 1.00 0.00 H new ATOM 0 HA LEU A 29 15.097 1.849 -17.932 1.00 0.00 H new ATOM 0 HB2 LEU A 29 15.671 4.807 -17.533 1.00 0.00 H new ATOM 0 HB3 LEU A 29 16.967 3.711 -17.971 1.00 0.00 H new ATOM 0 HG LEU A 29 14.335 3.947 -19.506 1.00 0.00 H new ATOM 0 HD11 LEU A 29 15.690 5.135 -21.208 1.00 0.00 H new ATOM 0 HD12 LEU A 29 15.691 6.017 -19.663 1.00 0.00 H new ATOM 0 HD13 LEU A 29 17.109 5.053 -20.137 1.00 0.00 H new ATOM 0 HD21 LEU A 29 15.559 2.640 -21.223 1.00 0.00 H new ATOM 0 HD22 LEU A 29 16.977 2.559 -20.150 1.00 0.00 H new ATOM 0 HD23 LEU A 29 15.464 1.745 -19.687 1.00 0.00 H new ATOM 875 N HIS A 30 15.989 3.187 -15.024 1.00 0.00 N ATOM 876 CA HIS A 30 16.777 2.877 -13.784 1.00 0.00 C ATOM 877 C HIS A 30 16.190 1.665 -13.027 1.00 0.00 C ATOM 878 O HIS A 30 16.851 1.109 -12.153 1.00 0.00 O ATOM 879 CB HIS A 30 16.772 4.088 -12.844 1.00 0.00 C ATOM 880 CG HIS A 30 17.835 3.915 -11.794 1.00 0.00 C ATOM 881 ND1 HIS A 30 19.078 3.335 -11.836 1.00 0.00 N flip ATOM 882 CD2 HIS A 30 17.673 4.371 -10.496 1.00 0.00 C flip ATOM 883 CE1 HIS A 30 19.682 3.429 -10.587 1.00 0.00 C flip ATOM 884 NE2 HIS A 30 18.793 4.062 -9.816 1.00 0.00 N flip ATOM 0 H HIS A 30 15.482 4.072 -15.006 1.00 0.00 H new ATOM 0 HA HIS A 30 17.794 2.640 -14.095 1.00 0.00 H new ATOM 0 HB2 HIS A 30 16.951 5.002 -13.411 1.00 0.00 H new ATOM 0 HB3 HIS A 30 15.795 4.192 -12.373 1.00 0.00 H new ATOM 0 HD2 HIS A 30 16.807 4.881 -10.102 1.00 0.00 H new ATOM 0 HE1 HIS A 30 20.659 3.068 -10.302 1.00 0.00 H new ATOM 0 HE2 HIS A 30 18.945 4.284 -8.832 1.00 0.00 H new ATOM 885 N ALA A 31 14.970 1.244 -13.307 1.00 0.00 N ATOM 886 CA ALA A 31 14.399 0.081 -12.554 1.00 0.00 C ATOM 887 C ALA A 31 14.791 -1.252 -13.217 1.00 0.00 C ATOM 888 O ALA A 31 14.982 -2.255 -12.529 1.00 0.00 O ATOM 889 CB ALA A 31 12.870 0.190 -12.510 1.00 0.00 C ATOM 0 H ALA A 31 14.358 1.651 -14.014 1.00 0.00 H new ATOM 0 HA ALA A 31 14.803 0.102 -11.542 1.00 0.00 H new ATOM 0 HB1 ALA A 31 12.460 -0.658 -11.961 1.00 0.00 H new ATOM 0 HB2 ALA A 31 12.585 1.116 -12.011 1.00 0.00 H new ATOM 0 HB3 ALA A 31 12.476 0.189 -13.526 1.00 0.00 H new ATOM 890 N ILE A 32 14.896 -1.306 -14.530 1.00 0.00 N ATOM 891 CA ILE A 32 15.247 -2.588 -15.190 1.00 0.00 C ATOM 892 C ILE A 32 16.772 -2.752 -15.328 1.00 0.00 C ATOM 893 O ILE A 32 17.331 -3.764 -14.906 1.00 0.00 O ATOM 894 CB ILE A 32 14.591 -2.710 -16.585 1.00 0.00 C ATOM 895 CG1 ILE A 32 14.300 -1.365 -17.278 1.00 0.00 C ATOM 896 CG2 ILE A 32 13.271 -3.448 -16.443 1.00 0.00 C ATOM 897 CD1 ILE A 32 14.047 -1.608 -18.768 1.00 0.00 C ATOM 0 H ILE A 32 14.753 -0.517 -15.160 1.00 0.00 H new ATOM 0 HA ILE A 32 14.861 -3.382 -14.550 1.00 0.00 H new ATOM 0 HB ILE A 32 15.312 -3.241 -17.206 1.00 0.00 H new ATOM 0 HG12 ILE A 32 13.432 -0.889 -16.823 1.00 0.00 H new ATOM 0 HG13 ILE A 32 15.142 -0.685 -17.146 1.00 0.00 H new ATOM 0 HG21 ILE A 32 12.799 -3.540 -17.421 1.00 0.00 H new ATOM 0 HG22 ILE A 32 13.452 -4.441 -16.032 1.00 0.00 H new ATOM 0 HG23 ILE A 32 12.614 -2.893 -15.774 1.00 0.00 H new ATOM 0 HD11 ILE A 32 13.841 -0.658 -19.262 1.00 0.00 H new ATOM 0 HD12 ILE A 32 14.928 -2.066 -19.217 1.00 0.00 H new ATOM 0 HD13 ILE A 32 13.192 -2.273 -18.888 1.00 0.00 H new ATOM 898 N PHE A 33 17.454 -1.810 -15.929 1.00 0.00 N ATOM 899 CA PHE A 33 18.938 -1.960 -16.108 1.00 0.00 C ATOM 900 C PHE A 33 19.661 -1.933 -14.753 1.00 0.00 C ATOM 901 O PHE A 33 20.645 -2.646 -14.558 1.00 0.00 O ATOM 902 CB PHE A 33 19.480 -0.832 -16.996 1.00 0.00 C ATOM 903 CG PHE A 33 18.955 -1.001 -18.405 1.00 0.00 C ATOM 904 CD1 PHE A 33 19.066 -2.239 -19.053 1.00 0.00 C ATOM 905 CD2 PHE A 33 18.355 0.080 -19.062 1.00 0.00 C ATOM 906 CE1 PHE A 33 18.579 -2.394 -20.356 1.00 0.00 C ATOM 907 CE2 PHE A 33 17.867 -0.076 -20.366 1.00 0.00 C ATOM 908 CZ PHE A 33 17.980 -1.313 -21.013 1.00 0.00 C ATOM 0 H PHE A 33 17.055 -0.949 -16.302 1.00 0.00 H new ATOM 0 HA PHE A 33 19.123 -2.922 -16.585 1.00 0.00 H new ATOM 0 HB2 PHE A 33 19.177 0.136 -16.598 1.00 0.00 H new ATOM 0 HB3 PHE A 33 20.570 -0.849 -16.998 1.00 0.00 H new ATOM 0 HD1 PHE A 33 19.528 -3.074 -18.547 1.00 0.00 H new ATOM 0 HD2 PHE A 33 18.268 1.034 -18.564 1.00 0.00 H new ATOM 0 HE1 PHE A 33 18.665 -3.348 -20.855 1.00 0.00 H new ATOM 0 HE2 PHE A 33 17.404 0.758 -20.872 1.00 0.00 H new ATOM 0 HZ PHE A 33 17.605 -1.433 -22.019 1.00 0.00 H new ATOM 909 N SER A 34 19.217 -1.129 -13.811 1.00 0.00 N ATOM 910 CA SER A 34 19.921 -1.081 -12.482 1.00 0.00 C ATOM 911 C SER A 34 20.060 -2.500 -11.896 1.00 0.00 C ATOM 912 O SER A 34 21.045 -2.806 -11.227 1.00 0.00 O ATOM 913 CB SER A 34 19.140 -0.210 -11.492 1.00 0.00 C ATOM 914 OG SER A 34 17.874 -0.805 -11.242 1.00 0.00 O ATOM 0 H SER A 34 18.410 -0.512 -13.901 1.00 0.00 H new ATOM 0 HA SER A 34 20.911 -0.653 -12.641 1.00 0.00 H new ATOM 0 HB2 SER A 34 19.697 -0.108 -10.561 1.00 0.00 H new ATOM 0 HB3 SER A 34 19.010 0.794 -11.897 1.00 0.00 H new ATOM 0 HG SER A 34 17.189 -0.355 -11.779 1.00 0.00 H new ATOM 915 N ARG A 35 19.099 -3.378 -12.119 1.00 0.00 N ATOM 916 CA ARG A 35 19.208 -4.767 -11.553 1.00 0.00 C ATOM 917 C ARG A 35 20.575 -5.376 -11.909 1.00 0.00 C ATOM 918 O ARG A 35 21.280 -5.888 -11.042 1.00 0.00 O ATOM 919 CB ARG A 35 18.103 -5.665 -12.125 1.00 0.00 C ATOM 920 CG ARG A 35 16.738 -5.170 -11.645 1.00 0.00 C ATOM 921 CD ARG A 35 15.690 -5.448 -12.723 1.00 0.00 C ATOM 922 NE ARG A 35 14.331 -5.181 -12.174 1.00 0.00 N ATOM 923 CZ ARG A 35 13.380 -6.061 -12.330 1.00 0.00 C ATOM 924 NH1 ARG A 35 12.626 -6.025 -13.395 1.00 0.00 N ATOM 925 NH2 ARG A 35 13.182 -6.977 -11.421 1.00 0.00 N ATOM 0 H ARG A 35 18.255 -3.194 -12.662 1.00 0.00 H new ATOM 0 HA ARG A 35 19.102 -4.704 -10.470 1.00 0.00 H new ATOM 0 HB2 ARG A 35 18.141 -5.657 -13.214 1.00 0.00 H new ATOM 0 HB3 ARG A 35 18.259 -6.696 -11.809 1.00 0.00 H new ATOM 0 HG2 ARG A 35 16.463 -5.671 -10.717 1.00 0.00 H new ATOM 0 HG3 ARG A 35 16.781 -4.102 -11.430 1.00 0.00 H new ATOM 0 HD2 ARG A 35 15.872 -4.818 -13.594 1.00 0.00 H new ATOM 0 HD3 ARG A 35 15.762 -6.483 -13.057 1.00 0.00 H new ATOM 0 HE ARG A 35 14.144 -4.311 -11.676 1.00 0.00 H new ATOM 0 HH11 ARG A 35 12.780 -5.309 -14.105 1.00 0.00 H new ATOM 0 HH12 ARG A 35 11.883 -6.713 -13.517 1.00 0.00 H new ATOM 0 HH21 ARG A 35 13.771 -7.005 -10.589 1.00 0.00 H new ATOM 0 HH22 ARG A 35 12.439 -7.665 -11.543 1.00 0.00 H new ATOM 926 N PHE A 36 20.966 -5.335 -13.165 1.00 0.00 N ATOM 927 CA PHE A 36 22.292 -5.921 -13.547 1.00 0.00 C ATOM 928 C PHE A 36 23.410 -5.198 -12.783 1.00 0.00 C ATOM 929 O PHE A 36 24.190 -5.827 -12.068 1.00 0.00 O ATOM 930 CB PHE A 36 22.529 -5.768 -15.055 1.00 0.00 C ATOM 931 CG PHE A 36 21.536 -6.621 -15.807 1.00 0.00 C ATOM 932 CD1 PHE A 36 21.602 -8.016 -15.716 1.00 0.00 C ATOM 933 CD2 PHE A 36 20.548 -6.017 -16.593 1.00 0.00 C ATOM 934 CE1 PHE A 36 20.682 -8.808 -16.412 1.00 0.00 C ATOM 935 CE2 PHE A 36 19.627 -6.809 -17.289 1.00 0.00 C ATOM 936 CZ PHE A 36 19.694 -8.204 -17.199 1.00 0.00 C ATOM 0 H PHE A 36 20.431 -4.926 -13.931 1.00 0.00 H new ATOM 0 HA PHE A 36 22.294 -6.981 -13.293 1.00 0.00 H new ATOM 0 HB2 PHE A 36 22.422 -4.723 -15.347 1.00 0.00 H new ATOM 0 HB3 PHE A 36 23.546 -6.067 -15.307 1.00 0.00 H new ATOM 0 HD1 PHE A 36 22.364 -8.482 -15.108 1.00 0.00 H new ATOM 0 HD2 PHE A 36 20.496 -4.940 -16.663 1.00 0.00 H new ATOM 0 HE1 PHE A 36 20.734 -9.884 -16.342 1.00 0.00 H new ATOM 0 HE2 PHE A 36 18.864 -6.343 -17.896 1.00 0.00 H new ATOM 0 HZ PHE A 36 18.984 -8.815 -17.737 1.00 0.00 H new ATOM 937 N GLY A 37 23.512 -3.892 -12.913 1.00 0.00 N ATOM 938 CA GLY A 37 24.589 -3.156 -12.186 1.00 0.00 C ATOM 939 C GLY A 37 24.098 -1.747 -11.819 1.00 0.00 C ATOM 940 O GLY A 37 22.920 -1.432 -11.970 1.00 0.00 O ATOM 0 H GLY A 37 22.899 -3.313 -13.487 1.00 0.00 H new ATOM 0 HA2 GLY A 37 24.869 -3.700 -11.284 1.00 0.00 H new ATOM 0 HA3 GLY A 37 25.481 -3.090 -12.809 1.00 0.00 H new ATOM 941 N GLN A 38 24.975 -0.887 -11.342 1.00 0.00 N ATOM 942 CA GLN A 38 24.534 0.494 -10.975 1.00 0.00 C ATOM 943 C GLN A 38 24.605 1.397 -12.214 1.00 0.00 C ATOM 944 O GLN A 38 25.608 1.409 -12.926 1.00 0.00 O ATOM 945 CB GLN A 38 25.445 1.062 -9.880 1.00 0.00 C ATOM 946 CG GLN A 38 24.765 2.266 -9.224 1.00 0.00 C ATOM 947 CD GLN A 38 25.482 2.606 -7.911 1.00 0.00 C ATOM 948 OE1 GLN A 38 24.957 2.341 -6.831 1.00 0.00 O ATOM 949 NE2 GLN A 38 26.660 3.181 -7.937 1.00 0.00 N ATOM 0 H GLN A 38 25.965 -1.083 -11.194 1.00 0.00 H new ATOM 0 HA GLN A 38 23.510 0.455 -10.604 1.00 0.00 H new ATOM 0 HB2 GLN A 38 25.654 0.297 -9.132 1.00 0.00 H new ATOM 0 HB3 GLN A 38 26.403 1.360 -10.307 1.00 0.00 H new ATOM 0 HG2 GLN A 38 24.791 3.123 -9.897 1.00 0.00 H new ATOM 0 HG3 GLN A 38 23.716 2.044 -9.031 1.00 0.00 H new ATOM 0 HE21 GLN A 38 27.100 3.403 -8.830 1.00 0.00 H new ATOM 0 HE22 GLN A 38 27.137 3.406 -7.064 1.00 0.00 H new ATOM 950 N ILE A 39 23.569 2.162 -12.487 1.00 0.00 N ATOM 951 CA ILE A 39 23.605 3.059 -13.681 1.00 0.00 C ATOM 952 C ILE A 39 24.168 4.426 -13.266 1.00 0.00 C ATOM 953 O ILE A 39 23.717 5.020 -12.288 1.00 0.00 O ATOM 954 CB ILE A 39 22.193 3.235 -14.250 1.00 0.00 C ATOM 955 CG1 ILE A 39 21.564 1.857 -14.483 1.00 0.00 C ATOM 956 CG2 ILE A 39 22.272 3.993 -15.577 1.00 0.00 C ATOM 957 CD1 ILE A 39 20.120 2.020 -14.972 1.00 0.00 C ATOM 0 H ILE A 39 22.710 2.201 -11.938 1.00 0.00 H new ATOM 0 HA ILE A 39 24.240 2.615 -14.447 1.00 0.00 H new ATOM 0 HB ILE A 39 21.581 3.799 -13.546 1.00 0.00 H new ATOM 0 HG12 ILE A 39 22.146 1.301 -15.218 1.00 0.00 H new ATOM 0 HG13 ILE A 39 21.582 1.278 -13.559 1.00 0.00 H new ATOM 0 HG21 ILE A 39 21.269 4.120 -15.984 1.00 0.00 H new ATOM 0 HG22 ILE A 39 22.722 4.972 -15.411 1.00 0.00 H new ATOM 0 HG23 ILE A 39 22.881 3.428 -16.283 1.00 0.00 H new ATOM 0 HD11 ILE A 39 19.678 1.037 -15.136 1.00 0.00 H new ATOM 0 HD12 ILE A 39 19.540 2.558 -14.222 1.00 0.00 H new ATOM 0 HD13 ILE A 39 20.113 2.581 -15.906 1.00 0.00 H new ATOM 958 N LEU A 40 25.146 4.938 -13.981 1.00 0.00 N ATOM 959 CA LEU A 40 25.724 6.267 -13.599 1.00 0.00 C ATOM 960 C LEU A 40 24.661 7.358 -13.780 1.00 0.00 C ATOM 961 O LEU A 40 24.311 8.061 -12.832 1.00 0.00 O ATOM 962 CB LEU A 40 26.952 6.595 -14.471 1.00 0.00 C ATOM 963 CG LEU A 40 28.180 6.810 -13.580 1.00 0.00 C ATOM 964 CD1 LEU A 40 28.529 5.504 -12.863 1.00 0.00 C ATOM 965 CD2 LEU A 40 29.365 7.248 -14.444 1.00 0.00 C ATOM 0 H LEU A 40 25.563 4.499 -14.802 1.00 0.00 H new ATOM 0 HA LEU A 40 26.037 6.226 -12.556 1.00 0.00 H new ATOM 0 HB2 LEU A 40 27.139 5.782 -15.173 1.00 0.00 H new ATOM 0 HB3 LEU A 40 26.760 7.490 -15.063 1.00 0.00 H new ATOM 0 HG LEU A 40 27.961 7.581 -12.842 1.00 0.00 H new ATOM 0 HD11 LEU A 40 29.403 5.659 -12.230 1.00 0.00 H new ATOM 0 HD12 LEU A 40 27.686 5.190 -12.248 1.00 0.00 H new ATOM 0 HD13 LEU A 40 28.748 4.731 -13.600 1.00 0.00 H new ATOM 0 HD21 LEU A 40 30.239 7.401 -13.812 1.00 0.00 H new ATOM 0 HD22 LEU A 40 29.582 6.476 -15.182 1.00 0.00 H new ATOM 0 HD23 LEU A 40 29.119 8.179 -14.954 1.00 0.00 H new ATOM 966 N ASP A 41 24.140 7.523 -14.975 1.00 0.00 N ATOM 967 CA ASP A 41 23.105 8.580 -15.191 1.00 0.00 C ATOM 968 C ASP A 41 22.265 8.255 -16.438 1.00 0.00 C ATOM 969 O ASP A 41 22.780 7.734 -17.427 1.00 0.00 O ATOM 970 CB ASP A 41 23.794 9.932 -15.384 1.00 0.00 C ATOM 971 CG ASP A 41 22.908 11.043 -14.820 1.00 0.00 C ATOM 972 OD1 ASP A 41 21.796 11.188 -15.301 1.00 0.00 O ATOM 973 OD2 ASP A 41 23.355 11.730 -13.916 1.00 0.00 O ATOM 0 H ASP A 41 24.385 6.976 -15.800 1.00 0.00 H new ATOM 0 HA ASP A 41 22.450 8.618 -14.321 1.00 0.00 H new ATOM 0 HB2 ASP A 41 24.761 9.934 -14.882 1.00 0.00 H new ATOM 0 HB3 ASP A 41 23.984 10.107 -16.443 1.00 0.00 H new ATOM 974 N ILE A 42 20.985 8.555 -16.418 1.00 0.00 N ATOM 975 CA ILE A 42 20.131 8.265 -17.605 1.00 0.00 C ATOM 976 C ILE A 42 19.621 9.593 -18.184 1.00 0.00 C ATOM 977 O ILE A 42 19.030 10.402 -17.470 1.00 0.00 O ATOM 978 CB ILE A 42 18.938 7.401 -17.183 1.00 0.00 C ATOM 979 CG1 ILE A 42 19.436 6.157 -16.432 1.00 0.00 C ATOM 980 CG2 ILE A 42 18.157 6.965 -18.423 1.00 0.00 C ATOM 981 CD1 ILE A 42 18.498 5.856 -15.260 1.00 0.00 C ATOM 0 H ILE A 42 20.501 8.987 -15.631 1.00 0.00 H new ATOM 0 HA ILE A 42 20.712 7.730 -18.356 1.00 0.00 H new ATOM 0 HB ILE A 42 18.289 7.983 -16.528 1.00 0.00 H new ATOM 0 HG12 ILE A 42 19.475 5.303 -17.108 1.00 0.00 H new ATOM 0 HG13 ILE A 42 20.450 6.322 -16.067 1.00 0.00 H new ATOM 0 HG21 ILE A 42 17.309 6.351 -18.121 1.00 0.00 H new ATOM 0 HG22 ILE A 42 17.796 7.846 -18.954 1.00 0.00 H new ATOM 0 HG23 ILE A 42 18.808 6.387 -19.079 1.00 0.00 H new ATOM 0 HD11 ILE A 42 18.852 4.973 -14.728 1.00 0.00 H new ATOM 0 HD12 ILE A 42 18.481 6.707 -14.580 1.00 0.00 H new ATOM 0 HD13 ILE A 42 17.492 5.673 -15.637 1.00 0.00 H new ATOM 982 N LEU A 43 19.842 9.849 -19.457 1.00 0.00 N ATOM 983 CA LEU A 43 19.371 11.136 -20.046 1.00 0.00 C ATOM 984 C LEU A 43 18.174 10.888 -20.976 1.00 0.00 C ATOM 985 O LEU A 43 18.178 9.956 -21.779 1.00 0.00 O ATOM 986 CB LEU A 43 20.506 11.777 -20.850 1.00 0.00 C ATOM 987 CG LEU A 43 21.738 11.951 -19.956 1.00 0.00 C ATOM 988 CD1 LEU A 43 22.706 10.790 -20.184 1.00 0.00 C ATOM 989 CD2 LEU A 43 22.438 13.269 -20.302 1.00 0.00 C ATOM 0 H LEU A 43 20.324 9.224 -20.103 1.00 0.00 H new ATOM 0 HA LEU A 43 19.066 11.801 -19.238 1.00 0.00 H new ATOM 0 HB2 LEU A 43 20.753 11.153 -21.709 1.00 0.00 H new ATOM 0 HB3 LEU A 43 20.188 12.744 -21.239 1.00 0.00 H new ATOM 0 HG LEU A 43 21.426 11.965 -18.912 1.00 0.00 H new ATOM 0 HD11 LEU A 43 23.582 10.916 -19.547 1.00 0.00 H new ATOM 0 HD12 LEU A 43 22.211 9.850 -19.939 1.00 0.00 H new ATOM 0 HD13 LEU A 43 23.016 10.775 -21.229 1.00 0.00 H new ATOM 0 HD21 LEU A 43 23.315 13.393 -19.666 1.00 0.00 H new ATOM 0 HD22 LEU A 43 22.747 13.253 -21.347 1.00 0.00 H new ATOM 0 HD23 LEU A 43 21.751 14.099 -20.139 1.00 0.00 H new ATOM 990 N VAL A 44 17.150 11.712 -20.896 1.00 0.00 N ATOM 991 CA VAL A 44 15.966 11.528 -21.786 1.00 0.00 C ATOM 992 C VAL A 44 15.628 12.875 -22.445 1.00 0.00 C ATOM 993 O VAL A 44 15.382 13.866 -21.760 1.00 0.00 O ATOM 994 CB VAL A 44 14.760 11.033 -20.975 1.00 0.00 C ATOM 995 CG1 VAL A 44 14.963 9.564 -20.601 1.00 0.00 C ATOM 996 CG2 VAL A 44 14.606 11.867 -19.696 1.00 0.00 C ATOM 0 H VAL A 44 17.089 12.501 -20.252 1.00 0.00 H new ATOM 0 HA VAL A 44 16.199 10.785 -22.549 1.00 0.00 H new ATOM 0 HB VAL A 44 13.859 11.137 -21.580 1.00 0.00 H new ATOM 0 HG11 VAL A 44 14.106 9.213 -20.025 1.00 0.00 H new ATOM 0 HG12 VAL A 44 15.059 8.968 -21.508 1.00 0.00 H new ATOM 0 HG13 VAL A 44 15.868 9.463 -20.003 1.00 0.00 H new ATOM 0 HG21 VAL A 44 13.748 11.507 -19.128 1.00 0.00 H new ATOM 0 HG22 VAL A 44 15.507 11.773 -19.090 1.00 0.00 H new ATOM 0 HG23 VAL A 44 14.454 12.913 -19.960 1.00 0.00 H new ATOM 997 N SER A 45 15.621 12.943 -23.760 1.00 0.00 N ATOM 998 CA SER A 45 15.309 14.237 -24.433 1.00 0.00 C ATOM 999 C SER A 45 13.969 14.131 -25.175 1.00 0.00 C ATOM 1000 O SER A 45 13.536 13.039 -25.539 1.00 0.00 O ATOM 1001 CB SER A 45 16.417 14.569 -25.433 1.00 0.00 C ATOM 1002 OG SER A 45 15.889 15.394 -26.463 1.00 0.00 O ATOM 0 H SER A 45 15.817 12.162 -24.386 1.00 0.00 H new ATOM 0 HA SER A 45 15.242 15.024 -23.682 1.00 0.00 H new ATOM 0 HB2 SER A 45 17.238 15.079 -24.928 1.00 0.00 H new ATOM 0 HB3 SER A 45 16.825 13.652 -25.859 1.00 0.00 H new ATOM 0 HG SER A 45 16.598 15.610 -27.105 1.00 0.00 H new ATOM 1003 N ARG A 46 13.302 15.241 -25.413 1.00 0.00 N ATOM 1004 CA ARG A 46 11.998 15.186 -26.135 1.00 0.00 C ATOM 1005 C ARG A 46 12.021 16.161 -27.324 1.00 0.00 C ATOM 1006 O ARG A 46 11.018 16.807 -27.624 1.00 0.00 O ATOM 1007 CB ARG A 46 10.869 15.576 -25.178 1.00 0.00 C ATOM 1008 CG ARG A 46 9.582 14.855 -25.587 1.00 0.00 C ATOM 1009 CD ARG A 46 8.378 15.752 -25.294 1.00 0.00 C ATOM 1010 NE ARG A 46 7.143 14.921 -25.231 1.00 0.00 N ATOM 1011 CZ ARG A 46 6.561 14.705 -24.084 1.00 0.00 C ATOM 1012 NH1 ARG A 46 5.726 15.582 -23.600 1.00 0.00 N ATOM 1013 NH2 ARG A 46 6.815 13.610 -23.419 1.00 0.00 N ATOM 0 H ARG A 46 13.607 16.174 -25.138 1.00 0.00 H new ATOM 0 HA ARG A 46 11.832 14.173 -26.503 1.00 0.00 H new ATOM 0 HB2 ARG A 46 11.137 15.312 -24.155 1.00 0.00 H new ATOM 0 HB3 ARG A 46 10.716 16.655 -25.199 1.00 0.00 H new ATOM 0 HG2 ARG A 46 9.614 14.606 -26.648 1.00 0.00 H new ATOM 0 HG3 ARG A 46 9.490 13.916 -25.042 1.00 0.00 H new ATOM 0 HD2 ARG A 46 8.524 16.278 -24.350 1.00 0.00 H new ATOM 0 HD3 ARG A 46 8.279 16.511 -26.070 1.00 0.00 H new ATOM 0 HE ARG A 46 6.753 14.521 -26.084 1.00 0.00 H new ATOM 0 HH11 ARG A 46 5.528 16.438 -24.119 1.00 0.00 H new ATOM 0 HH12 ARG A 46 5.271 15.412 -22.703 1.00 0.00 H new ATOM 0 HH21 ARG A 46 7.468 12.924 -23.797 1.00 0.00 H new ATOM 0 HH22 ARG A 46 6.360 13.441 -22.522 1.00 0.00 H new ATOM 1014 N SER A 47 13.136 16.280 -28.017 1.00 0.00 N ATOM 1015 CA SER A 47 13.190 17.214 -29.184 1.00 0.00 C ATOM 1016 C SER A 47 12.671 16.489 -30.435 1.00 0.00 C ATOM 1017 O SER A 47 12.192 15.358 -30.348 1.00 0.00 O ATOM 1018 CB SER A 47 14.633 17.674 -29.419 1.00 0.00 C ATOM 1019 OG SER A 47 15.417 16.568 -29.845 1.00 0.00 O ATOM 0 H SER A 47 14.000 15.774 -27.824 1.00 0.00 H new ATOM 0 HA SER A 47 12.569 18.086 -28.979 1.00 0.00 H new ATOM 0 HB2 SER A 47 14.657 18.462 -30.171 1.00 0.00 H new ATOM 0 HB3 SER A 47 15.046 18.095 -28.502 1.00 0.00 H new ATOM 0 HG SER A 47 16.340 16.861 -29.997 1.00 0.00 H new ATOM 1020 N LEU A 48 12.747 17.105 -31.598 1.00 0.00 N ATOM 1021 CA LEU A 48 12.241 16.414 -32.831 1.00 0.00 C ATOM 1022 C LEU A 48 13.057 15.135 -33.074 1.00 0.00 C ATOM 1023 O LEU A 48 12.504 14.096 -33.431 1.00 0.00 O ATOM 1024 CB LEU A 48 12.371 17.332 -34.053 1.00 0.00 C ATOM 1025 CG LEU A 48 11.348 16.927 -35.119 1.00 0.00 C ATOM 1026 CD1 LEU A 48 10.763 18.182 -35.771 1.00 0.00 C ATOM 1027 CD2 LEU A 48 12.035 16.071 -36.187 1.00 0.00 C ATOM 0 H LEU A 48 13.130 18.039 -31.744 1.00 0.00 H new ATOM 0 HA LEU A 48 11.190 16.164 -32.684 1.00 0.00 H new ATOM 0 HB2 LEU A 48 12.211 18.369 -33.758 1.00 0.00 H new ATOM 0 HB3 LEU A 48 13.380 17.268 -34.461 1.00 0.00 H new ATOM 0 HG LEU A 48 10.547 16.354 -34.652 1.00 0.00 H new ATOM 0 HD11 LEU A 48 10.035 17.893 -36.529 1.00 0.00 H new ATOM 0 HD12 LEU A 48 10.273 18.792 -35.012 1.00 0.00 H new ATOM 0 HD13 LEU A 48 11.563 18.757 -36.237 1.00 0.00 H new ATOM 0 HD21 LEU A 48 11.307 15.783 -36.946 1.00 0.00 H new ATOM 0 HD22 LEU A 48 12.837 16.644 -36.652 1.00 0.00 H new ATOM 0 HD23 LEU A 48 12.451 15.176 -35.724 1.00 0.00 H new ATOM 1028 N LYS A 49 14.359 15.183 -32.889 1.00 0.00 N ATOM 1029 CA LYS A 49 15.187 13.955 -33.118 1.00 0.00 C ATOM 1030 C LYS A 49 14.977 12.970 -31.957 1.00 0.00 C ATOM 1031 O LYS A 49 14.891 11.761 -32.168 1.00 0.00 O ATOM 1032 CB LYS A 49 16.673 14.324 -33.206 1.00 0.00 C ATOM 1033 CG LYS A 49 16.954 14.999 -34.550 1.00 0.00 C ATOM 1034 CD LYS A 49 18.307 15.710 -34.490 1.00 0.00 C ATOM 1035 CE LYS A 49 19.431 14.680 -34.608 1.00 0.00 C ATOM 1036 NZ LYS A 49 20.643 15.330 -35.184 1.00 0.00 N ATOM 0 H LYS A 49 14.877 16.010 -32.593 1.00 0.00 H new ATOM 0 HA LYS A 49 14.879 13.493 -34.056 1.00 0.00 H new ATOM 0 HB2 LYS A 49 16.941 14.993 -32.388 1.00 0.00 H new ATOM 0 HB3 LYS A 49 17.287 13.430 -33.101 1.00 0.00 H new ATOM 0 HG2 LYS A 49 16.956 14.257 -35.348 1.00 0.00 H new ATOM 0 HG3 LYS A 49 16.165 15.714 -34.782 1.00 0.00 H new ATOM 0 HD2 LYS A 49 18.382 16.440 -35.296 1.00 0.00 H new ATOM 0 HD3 LYS A 49 18.400 16.259 -33.553 1.00 0.00 H new ATOM 0 HE2 LYS A 49 19.660 14.263 -33.628 1.00 0.00 H new ATOM 0 HE3 LYS A 49 19.114 13.851 -35.241 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 21.408 14.630 -35.264 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 20.419 15.708 -36.127 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 20.949 16.106 -34.563 1.00 0.00 H new ATOM 1037 N MET A 50 14.892 13.453 -30.736 1.00 0.00 N ATOM 1038 CA MET A 50 14.688 12.525 -29.583 1.00 0.00 C ATOM 1039 C MET A 50 13.189 12.438 -29.257 1.00 0.00 C ATOM 1040 O MET A 50 12.764 12.749 -28.145 1.00 0.00 O ATOM 1041 CB MET A 50 15.450 13.047 -28.359 1.00 0.00 C ATOM 1042 CG MET A 50 16.809 12.349 -28.265 1.00 0.00 C ATOM 1043 SD MET A 50 18.063 13.358 -29.094 1.00 0.00 S ATOM 1044 CE MET A 50 18.922 12.002 -29.929 1.00 0.00 C ATOM 0 H MET A 50 14.955 14.442 -30.494 1.00 0.00 H new ATOM 0 HA MET A 50 15.062 11.535 -29.844 1.00 0.00 H new ATOM 0 HB2 MET A 50 15.588 14.125 -28.437 1.00 0.00 H new ATOM 0 HB3 MET A 50 14.872 12.864 -27.453 1.00 0.00 H new ATOM 0 HG2 MET A 50 17.081 12.198 -27.220 1.00 0.00 H new ATOM 0 HG3 MET A 50 16.756 11.363 -28.727 1.00 0.00 H new ATOM 0 HE1 MET A 50 19.773 12.397 -30.484 1.00 0.00 H new ATOM 0 HE2 MET A 50 19.274 11.283 -29.189 1.00 0.00 H new ATOM 0 HE3 MET A 50 18.238 11.507 -30.618 1.00 0.00 H new ATOM 1045 N ARG A 51 12.372 12.020 -30.202 1.00 0.00 N ATOM 1046 CA ARG A 51 10.910 11.917 -29.928 1.00 0.00 C ATOM 1047 C ARG A 51 10.545 10.451 -29.648 1.00 0.00 C ATOM 1048 O ARG A 51 9.574 9.929 -30.193 1.00 0.00 O ATOM 1049 CB ARG A 51 10.126 12.419 -31.146 1.00 0.00 C ATOM 1050 CG ARG A 51 8.963 13.304 -30.686 1.00 0.00 C ATOM 1051 CD ARG A 51 8.707 14.404 -31.721 1.00 0.00 C ATOM 1052 NE ARG A 51 8.482 15.701 -31.023 1.00 0.00 N ATOM 1053 CZ ARG A 51 7.429 15.862 -30.269 1.00 0.00 C ATOM 1054 NH1 ARG A 51 6.239 15.623 -30.749 1.00 0.00 N ATOM 1055 NH2 ARG A 51 7.566 16.265 -29.035 1.00 0.00 N ATOM 0 H ARG A 51 12.659 11.749 -31.143 1.00 0.00 H new ATOM 0 HA ARG A 51 10.657 12.525 -29.060 1.00 0.00 H new ATOM 0 HB2 ARG A 51 10.785 12.983 -31.807 1.00 0.00 H new ATOM 0 HB3 ARG A 51 9.747 11.573 -31.720 1.00 0.00 H new ATOM 0 HG2 ARG A 51 8.065 12.700 -30.554 1.00 0.00 H new ATOM 0 HG3 ARG A 51 9.193 13.749 -29.718 1.00 0.00 H new ATOM 0 HD2 ARG A 51 9.557 14.486 -32.398 1.00 0.00 H new ATOM 0 HD3 ARG A 51 7.839 14.151 -32.329 1.00 0.00 H new ATOM 0 HE ARG A 51 9.151 16.463 -31.134 1.00 0.00 H new ATOM 0 HH11 ARG A 51 6.132 15.310 -31.714 1.00 0.00 H new ATOM 0 HH12 ARG A 51 5.416 15.749 -30.159 1.00 0.00 H new ATOM 0 HH21 ARG A 51 8.496 16.454 -28.660 1.00 0.00 H new ATOM 0 HH22 ARG A 51 6.743 16.391 -28.445 1.00 0.00 H new ATOM 1056 N GLY A 52 11.301 9.772 -28.812 1.00 0.00 N ATOM 1057 CA GLY A 52 10.987 8.345 -28.511 1.00 0.00 C ATOM 1058 C GLY A 52 12.297 7.553 -28.375 1.00 0.00 C ATOM 1059 O GLY A 52 12.544 6.613 -29.130 1.00 0.00 O ATOM 0 H GLY A 52 12.118 10.148 -28.330 1.00 0.00 H new ATOM 0 HA2 GLY A 52 10.409 8.275 -27.590 1.00 0.00 H new ATOM 0 HA3 GLY A 52 10.373 7.921 -29.305 1.00 0.00 H new ATOM 1060 N GLN A 53 13.145 7.910 -27.434 1.00 0.00 N ATOM 1061 CA GLN A 53 14.435 7.166 -27.272 1.00 0.00 C ATOM 1062 C GLN A 53 15.204 7.700 -26.050 1.00 0.00 C ATOM 1063 O GLN A 53 15.044 8.857 -25.665 1.00 0.00 O ATOM 1064 CB GLN A 53 15.288 7.355 -28.528 1.00 0.00 C ATOM 1065 CG GLN A 53 15.500 8.850 -28.778 1.00 0.00 C ATOM 1066 CD GLN A 53 16.295 9.046 -30.075 1.00 0.00 C ATOM 1067 OE1 GLN A 53 17.522 9.111 -30.048 1.00 0.00 O ATOM 1068 NE2 GLN A 53 15.664 9.144 -31.220 1.00 0.00 N ATOM 0 H GLN A 53 12.999 8.677 -26.778 1.00 0.00 H new ATOM 0 HA GLN A 53 14.221 6.108 -27.124 1.00 0.00 H new ATOM 0 HB2 GLN A 53 16.249 6.855 -28.407 1.00 0.00 H new ATOM 0 HB3 GLN A 53 14.797 6.897 -29.387 1.00 0.00 H new ATOM 0 HG2 GLN A 53 14.538 9.357 -28.849 1.00 0.00 H new ATOM 0 HG3 GLN A 53 16.035 9.297 -27.940 1.00 0.00 H new ATOM 0 HE21 GLN A 53 14.646 9.091 -31.247 1.00 0.00 H new ATOM 0 HE22 GLN A 53 16.191 9.274 -32.083 1.00 0.00 H new ATOM 1069 N ALA A 54 16.034 6.888 -25.428 1.00 0.00 N ATOM 1070 CA ALA A 54 16.793 7.375 -24.240 1.00 0.00 C ATOM 1071 C ALA A 54 18.177 6.712 -24.192 1.00 0.00 C ATOM 1072 O ALA A 54 18.364 5.602 -24.692 1.00 0.00 O ATOM 1073 CB ALA A 54 16.019 7.032 -22.965 1.00 0.00 C ATOM 0 H ALA A 54 16.213 5.920 -25.693 1.00 0.00 H new ATOM 0 HA ALA A 54 16.917 8.455 -24.315 1.00 0.00 H new ATOM 0 HB1 ALA A 54 16.573 7.388 -22.096 1.00 0.00 H new ATOM 0 HB2 ALA A 54 15.041 7.512 -22.993 1.00 0.00 H new ATOM 0 HB3 ALA A 54 15.891 5.952 -22.896 1.00 0.00 H new ATOM 1074 N PHE A 55 19.154 7.363 -23.596 1.00 0.00 N ATOM 1075 CA PHE A 55 20.516 6.760 -23.517 1.00 0.00 C ATOM 1076 C PHE A 55 20.810 6.377 -22.060 1.00 0.00 C ATOM 1077 O PHE A 55 20.513 7.137 -21.141 1.00 0.00 O ATOM 1078 CB PHE A 55 21.556 7.780 -23.987 1.00 0.00 C ATOM 1079 CG PHE A 55 21.278 8.165 -25.421 1.00 0.00 C ATOM 1080 CD1 PHE A 55 20.215 9.025 -25.721 1.00 0.00 C ATOM 1081 CD2 PHE A 55 22.084 7.662 -26.449 1.00 0.00 C ATOM 1082 CE1 PHE A 55 19.961 9.384 -27.050 1.00 0.00 C ATOM 1083 CE2 PHE A 55 21.828 8.021 -27.777 1.00 0.00 C ATOM 1084 CZ PHE A 55 20.767 8.882 -28.078 1.00 0.00 C ATOM 0 H PHE A 55 19.061 8.282 -23.164 1.00 0.00 H new ATOM 0 HA PHE A 55 20.561 5.875 -24.152 1.00 0.00 H new ATOM 0 HB2 PHE A 55 21.526 8.664 -23.350 1.00 0.00 H new ATOM 0 HB3 PHE A 55 22.558 7.359 -23.901 1.00 0.00 H new ATOM 0 HD1 PHE A 55 19.592 9.411 -24.928 1.00 0.00 H new ATOM 0 HD2 PHE A 55 22.903 6.997 -26.217 1.00 0.00 H new ATOM 0 HE1 PHE A 55 19.142 10.049 -27.282 1.00 0.00 H new ATOM 0 HE2 PHE A 55 22.450 7.633 -28.570 1.00 0.00 H new ATOM 0 HZ PHE A 55 20.570 9.159 -29.103 1.00 0.00 H new ATOM 1085 N VAL A 56 21.390 5.220 -21.822 1.00 0.00 N ATOM 1086 CA VAL A 56 21.693 4.821 -20.415 1.00 0.00 C ATOM 1087 C VAL A 56 23.204 4.595 -20.269 1.00 0.00 C ATOM 1088 O VAL A 56 23.804 3.839 -21.034 1.00 0.00 O ATOM 1089 CB VAL A 56 20.947 3.530 -20.075 1.00 0.00 C ATOM 1090 CG1 VAL A 56 21.115 3.222 -18.586 1.00 0.00 C ATOM 1091 CG2 VAL A 56 19.459 3.699 -20.394 1.00 0.00 C ATOM 0 H VAL A 56 21.662 4.544 -22.536 1.00 0.00 H new ATOM 0 HA VAL A 56 21.373 5.610 -19.735 1.00 0.00 H new ATOM 0 HB VAL A 56 21.354 2.710 -20.666 1.00 0.00 H new ATOM 0 HG11 VAL A 56 20.584 2.302 -18.343 1.00 0.00 H new ATOM 0 HG12 VAL A 56 22.174 3.101 -18.357 1.00 0.00 H new ATOM 0 HG13 VAL A 56 20.708 4.043 -17.996 1.00 0.00 H new ATOM 0 HG21 VAL A 56 18.928 2.778 -20.151 1.00 0.00 H new ATOM 0 HG22 VAL A 56 19.051 4.519 -19.804 1.00 0.00 H new ATOM 0 HG23 VAL A 56 19.337 3.920 -21.454 1.00 0.00 H new ATOM 1092 N ILE A 57 23.839 5.229 -19.307 1.00 0.00 N ATOM 1093 CA ILE A 57 25.306 5.038 -19.132 1.00 0.00 C ATOM 1094 C ILE A 57 25.553 4.130 -17.922 1.00 0.00 C ATOM 1095 O ILE A 57 24.765 4.116 -16.977 1.00 0.00 O ATOM 1096 CB ILE A 57 25.975 6.394 -18.901 1.00 0.00 C ATOM 1097 CG1 ILE A 57 25.643 7.333 -20.066 1.00 0.00 C ATOM 1098 CG2 ILE A 57 27.491 6.208 -18.814 1.00 0.00 C ATOM 1099 CD1 ILE A 57 25.511 8.769 -19.554 1.00 0.00 C ATOM 0 H ILE A 57 23.401 5.866 -18.642 1.00 0.00 H new ATOM 0 HA ILE A 57 25.726 4.579 -20.027 1.00 0.00 H new ATOM 0 HB ILE A 57 25.608 6.825 -17.970 1.00 0.00 H new ATOM 0 HG12 ILE A 57 26.425 7.278 -20.823 1.00 0.00 H new ATOM 0 HG13 ILE A 57 24.714 7.021 -20.543 1.00 0.00 H new ATOM 0 HG21 ILE A 57 27.967 7.175 -18.649 1.00 0.00 H new ATOM 0 HG22 ILE A 57 27.729 5.541 -17.986 1.00 0.00 H new ATOM 0 HG23 ILE A 57 27.859 5.776 -19.745 1.00 0.00 H new ATOM 0 HD11 ILE A 57 25.275 9.432 -20.386 1.00 0.00 H new ATOM 0 HD12 ILE A 57 24.713 8.819 -18.813 1.00 0.00 H new ATOM 0 HD13 ILE A 57 26.451 9.080 -19.097 1.00 0.00 H new ATOM 1100 N PHE A 58 26.623 3.366 -17.925 1.00 0.00 N ATOM 1101 CA PHE A 58 26.891 2.469 -16.768 1.00 0.00 C ATOM 1102 C PHE A 58 28.345 2.635 -16.315 1.00 0.00 C ATOM 1103 O PHE A 58 29.251 2.758 -17.137 1.00 0.00 O ATOM 1104 CB PHE A 58 26.657 1.017 -17.181 1.00 0.00 C ATOM 1105 CG PHE A 58 25.197 0.813 -17.504 1.00 0.00 C ATOM 1106 CD1 PHE A 58 24.644 1.414 -18.639 1.00 0.00 C ATOM 1107 CD2 PHE A 58 24.398 0.019 -16.671 1.00 0.00 C ATOM 1108 CE1 PHE A 58 23.292 1.224 -18.942 1.00 0.00 C ATOM 1109 CE2 PHE A 58 23.045 -0.171 -16.975 1.00 0.00 C ATOM 1110 CZ PHE A 58 22.493 0.432 -18.110 1.00 0.00 C ATOM 0 H PHE A 58 27.313 3.329 -18.675 1.00 0.00 H new ATOM 0 HA PHE A 58 26.220 2.730 -15.949 1.00 0.00 H new ATOM 0 HB2 PHE A 58 27.270 0.772 -18.048 1.00 0.00 H new ATOM 0 HB3 PHE A 58 26.959 0.346 -16.377 1.00 0.00 H new ATOM 0 HD1 PHE A 58 25.261 2.025 -19.282 1.00 0.00 H new ATOM 0 HD2 PHE A 58 24.826 -0.446 -15.795 1.00 0.00 H new ATOM 0 HE1 PHE A 58 22.865 1.689 -19.818 1.00 0.00 H new ATOM 0 HE2 PHE A 58 22.428 -0.783 -16.334 1.00 0.00 H new ATOM 0 HZ PHE A 58 21.449 0.286 -18.344 1.00 0.00 H new ATOM 1111 N LYS A 59 28.594 2.636 -15.023 1.00 0.00 N ATOM 1112 CA LYS A 59 30.004 2.790 -14.537 1.00 0.00 C ATOM 1113 C LYS A 59 30.893 1.719 -15.193 1.00 0.00 C ATOM 1114 O LYS A 59 30.720 0.528 -14.956 1.00 0.00 O ATOM 1115 CB LYS A 59 30.065 2.629 -13.012 1.00 0.00 C ATOM 1116 CG LYS A 59 31.344 3.280 -12.479 1.00 0.00 C ATOM 1117 CD LYS A 59 31.072 3.893 -11.104 1.00 0.00 C ATOM 1118 CE LYS A 59 31.251 2.824 -10.024 1.00 0.00 C ATOM 1119 NZ LYS A 59 31.148 3.456 -8.678 1.00 0.00 N ATOM 0 H LYS A 59 27.889 2.538 -14.292 1.00 0.00 H new ATOM 0 HA LYS A 59 30.360 3.785 -14.805 1.00 0.00 H new ATOM 0 HB2 LYS A 59 29.191 3.090 -12.552 1.00 0.00 H new ATOM 0 HB3 LYS A 59 30.045 1.572 -12.746 1.00 0.00 H new ATOM 0 HG2 LYS A 59 32.139 2.538 -12.407 1.00 0.00 H new ATOM 0 HG3 LYS A 59 31.688 4.050 -13.170 1.00 0.00 H new ATOM 0 HD2 LYS A 59 31.753 4.725 -10.924 1.00 0.00 H new ATOM 0 HD3 LYS A 59 30.060 4.296 -11.068 1.00 0.00 H new ATOM 0 HE2 LYS A 59 30.491 2.050 -10.133 1.00 0.00 H new ATOM 0 HE3 LYS A 59 32.220 2.337 -10.136 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 31.270 2.730 -7.943 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 31.889 4.179 -8.576 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 30.214 3.901 -8.574 1.00 0.00 H new ATOM 1120 N GLU A 60 31.839 2.121 -16.022 1.00 0.00 N ATOM 1121 CA GLU A 60 32.739 1.133 -16.699 1.00 0.00 C ATOM 1122 C GLU A 60 31.945 0.342 -17.745 1.00 0.00 C ATOM 1123 O GLU A 60 30.767 0.049 -17.550 1.00 0.00 O ATOM 1124 CB GLU A 60 33.344 0.164 -15.674 1.00 0.00 C ATOM 1125 CG GLU A 60 34.472 -0.633 -16.333 1.00 0.00 C ATOM 1126 CD GLU A 60 35.577 -0.896 -15.308 1.00 0.00 C ATOM 1127 OE1 GLU A 60 35.441 -1.842 -14.550 1.00 0.00 O ATOM 1128 OE2 GLU A 60 36.541 -0.148 -15.301 1.00 0.00 O ATOM 0 H GLU A 60 32.023 3.097 -16.256 1.00 0.00 H new ATOM 0 HA GLU A 60 33.547 1.677 -17.187 1.00 0.00 H new ATOM 0 HB2 GLU A 60 33.727 0.717 -14.816 1.00 0.00 H new ATOM 0 HB3 GLU A 60 32.576 -0.513 -15.300 1.00 0.00 H new ATOM 0 HG2 GLU A 60 34.087 -1.577 -16.719 1.00 0.00 H new ATOM 0 HG3 GLU A 60 34.873 -0.081 -17.183 1.00 0.00 H new ATOM 1129 N VAL A 61 32.562 -0.015 -18.855 1.00 0.00 N ATOM 1130 CA VAL A 61 31.821 -0.789 -19.899 1.00 0.00 C ATOM 1131 C VAL A 61 31.656 -2.241 -19.429 1.00 0.00 C ATOM 1132 O VAL A 61 32.530 -3.079 -19.643 1.00 0.00 O ATOM 1133 CB VAL A 61 32.587 -0.772 -21.228 1.00 0.00 C ATOM 1134 CG1 VAL A 61 31.741 -1.447 -22.311 1.00 0.00 C ATOM 1135 CG2 VAL A 61 32.871 0.677 -21.633 1.00 0.00 C ATOM 0 H VAL A 61 33.535 0.196 -19.076 1.00 0.00 H new ATOM 0 HA VAL A 61 30.844 -0.329 -20.051 1.00 0.00 H new ATOM 0 HB VAL A 61 33.528 -1.309 -21.113 1.00 0.00 H new ATOM 0 HG11 VAL A 61 32.284 -1.436 -23.256 1.00 0.00 H new ATOM 0 HG12 VAL A 61 31.536 -2.478 -22.023 1.00 0.00 H new ATOM 0 HG13 VAL A 61 30.800 -0.908 -22.426 1.00 0.00 H new ATOM 0 HG21 VAL A 61 33.415 0.691 -22.577 1.00 0.00 H new ATOM 0 HG22 VAL A 61 31.929 1.214 -21.749 1.00 0.00 H new ATOM 0 HG23 VAL A 61 33.471 1.160 -20.861 1.00 0.00 H new ATOM 1136 N SER A 62 30.553 -2.558 -18.791 1.00 0.00 N ATOM 1137 CA SER A 62 30.339 -3.960 -18.311 1.00 0.00 C ATOM 1138 C SER A 62 28.876 -4.133 -17.878 1.00 0.00 C ATOM 1139 O SER A 62 28.175 -5.012 -18.375 1.00 0.00 O ATOM 1140 CB SER A 62 31.262 -4.244 -17.127 1.00 0.00 C ATOM 1141 OG SER A 62 31.661 -3.014 -16.535 1.00 0.00 O ATOM 0 H SER A 62 29.795 -1.908 -18.583 1.00 0.00 H new ATOM 0 HA SER A 62 30.564 -4.658 -19.117 1.00 0.00 H new ATOM 0 HB2 SER A 62 30.749 -4.865 -16.392 1.00 0.00 H new ATOM 0 HB3 SER A 62 32.138 -4.801 -17.460 1.00 0.00 H new ATOM 0 HG SER A 62 32.252 -3.194 -15.774 1.00 0.00 H new ATOM 1142 N SER A 63 28.391 -3.301 -16.980 1.00 0.00 N ATOM 1143 CA SER A 63 26.960 -3.426 -16.557 1.00 0.00 C ATOM 1144 C SER A 63 26.067 -3.172 -17.783 1.00 0.00 C ATOM 1145 O SER A 63 25.075 -3.872 -17.998 1.00 0.00 O ATOM 1146 CB SER A 63 26.631 -2.407 -15.460 1.00 0.00 C ATOM 1147 OG SER A 63 27.100 -2.898 -14.209 1.00 0.00 O ATOM 0 H SER A 63 28.918 -2.553 -16.529 1.00 0.00 H new ATOM 0 HA SER A 63 26.785 -4.425 -16.159 1.00 0.00 H new ATOM 0 HB2 SER A 63 27.098 -1.448 -15.686 1.00 0.00 H new ATOM 0 HB3 SER A 63 25.555 -2.236 -15.417 1.00 0.00 H new ATOM 0 HG SER A 63 27.191 -2.153 -13.578 1.00 0.00 H new ATOM 1148 N ALA A 64 26.414 -2.209 -18.621 1.00 0.00 N ATOM 1149 CA ALA A 64 25.587 -1.967 -19.842 1.00 0.00 C ATOM 1150 C ALA A 64 25.720 -3.186 -20.759 1.00 0.00 C ATOM 1151 O ALA A 64 24.787 -3.534 -21.476 1.00 0.00 O ATOM 1152 CB ALA A 64 26.065 -0.711 -20.595 1.00 0.00 C ATOM 0 H ALA A 64 27.221 -1.595 -18.508 1.00 0.00 H new ATOM 0 HA ALA A 64 24.549 -1.811 -19.547 1.00 0.00 H new ATOM 0 HB1 ALA A 64 25.446 -0.559 -21.479 1.00 0.00 H new ATOM 0 HB2 ALA A 64 25.984 0.158 -19.942 1.00 0.00 H new ATOM 0 HB3 ALA A 64 27.104 -0.842 -20.898 1.00 0.00 H new ATOM 1153 N THR A 65 26.864 -3.844 -20.759 1.00 0.00 N ATOM 1154 CA THR A 65 27.030 -5.032 -21.644 1.00 0.00 C ATOM 1155 C THR A 65 25.949 -6.076 -21.312 1.00 0.00 C ATOM 1156 O THR A 65 25.345 -6.661 -22.210 1.00 0.00 O ATOM 1157 CB THR A 65 28.421 -5.655 -21.451 1.00 0.00 C ATOM 1158 OG1 THR A 65 29.408 -4.637 -21.549 1.00 0.00 O ATOM 1159 CG2 THR A 65 28.666 -6.710 -22.530 1.00 0.00 C ATOM 0 H THR A 65 27.676 -3.607 -20.189 1.00 0.00 H new ATOM 0 HA THR A 65 26.928 -4.714 -22.682 1.00 0.00 H new ATOM 0 HB THR A 65 28.476 -6.126 -20.469 1.00 0.00 H new ATOM 0 HG1 THR A 65 30.297 -5.030 -21.425 1.00 0.00 H new ATOM 0 HG21 THR A 65 29.653 -7.150 -22.391 1.00 0.00 H new ATOM 0 HG22 THR A 65 27.907 -7.489 -22.456 1.00 0.00 H new ATOM 0 HG23 THR A 65 28.612 -6.244 -23.514 1.00 0.00 H new ATOM 1160 N ASN A 66 25.684 -6.319 -20.045 1.00 0.00 N ATOM 1161 CA ASN A 66 24.630 -7.323 -19.689 1.00 0.00 C ATOM 1162 C ASN A 66 23.277 -6.811 -20.197 1.00 0.00 C ATOM 1163 O ASN A 66 22.501 -7.561 -20.787 1.00 0.00 O ATOM 1164 CB ASN A 66 24.563 -7.519 -18.169 1.00 0.00 C ATOM 1165 CG ASN A 66 25.905 -8.064 -17.662 1.00 0.00 C ATOM 1166 OD1 ASN A 66 26.397 -9.071 -18.167 1.00 0.00 O ATOM 1167 ND2 ASN A 66 26.532 -7.454 -16.686 1.00 0.00 N ATOM 0 H ASN A 66 26.146 -5.871 -19.254 1.00 0.00 H new ATOM 0 HA ASN A 66 24.873 -8.280 -20.150 1.00 0.00 H new ATOM 0 HB2 ASN A 66 24.335 -6.572 -17.680 1.00 0.00 H new ATOM 0 HB3 ASN A 66 23.759 -8.210 -17.916 1.00 0.00 H new ATOM 0 HD21 ASN A 66 27.424 -7.815 -16.349 1.00 0.00 H new ATOM 0 HD22 ASN A 66 26.128 -6.618 -16.264 1.00 0.00 H new ATOM 1168 N ALA A 67 22.976 -5.544 -19.992 1.00 0.00 N ATOM 1169 CA ALA A 67 21.665 -4.999 -20.486 1.00 0.00 C ATOM 1170 C ALA A 67 21.480 -5.336 -21.980 1.00 0.00 C ATOM 1171 O ALA A 67 20.360 -5.555 -22.438 1.00 0.00 O ATOM 1172 CB ALA A 67 21.625 -3.475 -20.310 1.00 0.00 C ATOM 0 H ALA A 67 23.574 -4.872 -19.510 1.00 0.00 H new ATOM 0 HA ALA A 67 20.863 -5.454 -19.906 1.00 0.00 H new ATOM 0 HB1 ALA A 67 20.671 -3.092 -20.671 1.00 0.00 H new ATOM 0 HB2 ALA A 67 21.739 -3.227 -19.255 1.00 0.00 H new ATOM 0 HB3 ALA A 67 22.437 -3.022 -20.879 1.00 0.00 H new ATOM 1173 N LEU A 68 22.548 -5.387 -22.754 1.00 0.00 N ATOM 1174 CA LEU A 68 22.402 -5.714 -24.206 1.00 0.00 C ATOM 1175 C LEU A 68 22.043 -7.200 -24.350 1.00 0.00 C ATOM 1176 O LEU A 68 21.162 -7.563 -25.126 1.00 0.00 O ATOM 1177 CB LEU A 68 23.726 -5.441 -24.941 1.00 0.00 C ATOM 1178 CG LEU A 68 23.462 -4.929 -26.364 1.00 0.00 C ATOM 1179 CD1 LEU A 68 22.626 -5.947 -27.146 1.00 0.00 C ATOM 1180 CD2 LEU A 68 22.714 -3.595 -26.295 1.00 0.00 C ATOM 0 H LEU A 68 23.504 -5.217 -22.440 1.00 0.00 H new ATOM 0 HA LEU A 68 21.617 -5.094 -24.639 1.00 0.00 H new ATOM 0 HB2 LEU A 68 24.310 -4.706 -24.387 1.00 0.00 H new ATOM 0 HB3 LEU A 68 24.320 -6.354 -24.982 1.00 0.00 H new ATOM 0 HG LEU A 68 24.415 -4.789 -26.874 1.00 0.00 H new ATOM 0 HD11 LEU A 68 22.446 -5.572 -28.154 1.00 0.00 H new ATOM 0 HD12 LEU A 68 23.164 -6.893 -27.202 1.00 0.00 H new ATOM 0 HD13 LEU A 68 21.673 -6.101 -26.640 1.00 0.00 H new ATOM 0 HD21 LEU A 68 22.526 -3.231 -27.305 1.00 0.00 H new ATOM 0 HD22 LEU A 68 21.765 -3.736 -25.778 1.00 0.00 H new ATOM 0 HD23 LEU A 68 23.318 -2.867 -25.753 1.00 0.00 H new ATOM 1181 N ARG A 69 22.704 -8.070 -23.614 1.00 0.00 N ATOM 1182 CA ARG A 69 22.387 -9.523 -23.717 1.00 0.00 C ATOM 1183 C ARG A 69 21.384 -9.902 -22.616 1.00 0.00 C ATOM 1184 O ARG A 69 21.638 -10.797 -21.810 1.00 0.00 O ATOM 1185 CB ARG A 69 23.669 -10.346 -23.553 1.00 0.00 C ATOM 1186 CG ARG A 69 24.698 -9.894 -24.589 1.00 0.00 C ATOM 1187 CD ARG A 69 26.108 -10.176 -24.068 1.00 0.00 C ATOM 1188 NE ARG A 69 26.485 -11.582 -24.390 1.00 0.00 N ATOM 1189 CZ ARG A 69 25.892 -12.572 -23.781 1.00 0.00 C ATOM 1190 NH1 ARG A 69 26.302 -12.951 -22.601 1.00 0.00 N ATOM 1191 NH2 ARG A 69 24.890 -13.183 -24.351 1.00 0.00 N ATOM 0 H ARG A 69 23.443 -7.832 -22.953 1.00 0.00 H new ATOM 0 HA ARG A 69 21.953 -9.732 -24.695 1.00 0.00 H new ATOM 0 HB2 ARG A 69 24.069 -10.219 -22.547 1.00 0.00 H new ATOM 0 HB3 ARG A 69 23.452 -11.407 -23.678 1.00 0.00 H new ATOM 0 HG2 ARG A 69 24.536 -10.419 -25.531 1.00 0.00 H new ATOM 0 HG3 ARG A 69 24.581 -8.830 -24.793 1.00 0.00 H new ATOM 0 HD2 ARG A 69 26.819 -9.485 -24.520 1.00 0.00 H new ATOM 0 HD3 ARG A 69 26.148 -10.015 -22.991 1.00 0.00 H new ATOM 0 HE ARG A 69 27.206 -11.770 -25.086 1.00 0.00 H new ATOM 0 HH11 ARG A 69 27.085 -12.473 -22.156 1.00 0.00 H new ATOM 0 HH12 ARG A 69 25.839 -13.725 -22.124 1.00 0.00 H new ATOM 0 HH21 ARG A 69 24.570 -12.887 -25.273 1.00 0.00 H new ATOM 0 HH22 ARG A 69 24.427 -13.957 -23.875 1.00 0.00 H new ATOM 1192 N SER A 70 20.249 -9.239 -22.560 1.00 0.00 N ATOM 1193 CA SER A 70 19.246 -9.570 -21.502 1.00 0.00 C ATOM 1194 C SER A 70 17.851 -9.078 -21.925 1.00 0.00 C ATOM 1195 O SER A 70 16.903 -9.860 -21.992 1.00 0.00 O ATOM 1196 CB SER A 70 19.648 -8.891 -20.193 1.00 0.00 C ATOM 1197 OG SER A 70 20.324 -9.830 -19.365 1.00 0.00 O ATOM 0 H SER A 70 19.979 -8.490 -23.197 1.00 0.00 H new ATOM 0 HA SER A 70 19.216 -10.651 -21.364 1.00 0.00 H new ATOM 0 HB2 SER A 70 20.294 -8.037 -20.396 1.00 0.00 H new ATOM 0 HB3 SER A 70 18.765 -8.508 -19.682 1.00 0.00 H new ATOM 0 HG SER A 70 20.500 -9.427 -18.489 1.00 0.00 H new ATOM 1198 N MET A 71 17.701 -7.803 -22.214 1.00 0.00 N ATOM 1199 CA MET A 71 16.366 -7.287 -22.628 1.00 0.00 C ATOM 1200 C MET A 71 16.359 -7.025 -24.143 1.00 0.00 C ATOM 1201 O MET A 71 15.751 -6.061 -24.610 1.00 0.00 O ATOM 1202 CB MET A 71 16.072 -5.983 -21.883 1.00 0.00 C ATOM 1203 CG MET A 71 15.834 -6.284 -20.402 1.00 0.00 C ATOM 1204 SD MET A 71 15.391 -4.755 -19.540 1.00 0.00 S ATOM 1205 CE MET A 71 13.849 -4.432 -20.430 1.00 0.00 C ATOM 0 H MET A 71 18.445 -7.106 -22.179 1.00 0.00 H new ATOM 0 HA MET A 71 15.602 -8.026 -22.387 1.00 0.00 H new ATOM 0 HB2 MET A 71 16.907 -5.292 -21.995 1.00 0.00 H new ATOM 0 HB3 MET A 71 15.196 -5.496 -22.312 1.00 0.00 H new ATOM 0 HG2 MET A 71 15.037 -7.020 -20.293 1.00 0.00 H new ATOM 0 HG3 MET A 71 16.731 -6.717 -19.959 1.00 0.00 H new ATOM 0 HE1 MET A 71 13.923 -3.478 -20.951 1.00 0.00 H new ATOM 0 HE2 MET A 71 13.673 -5.228 -21.153 1.00 0.00 H new ATOM 0 HE3 MET A 71 13.021 -4.395 -19.722 1.00 0.00 H new ATOM 1206 N GLN A 72 17.014 -7.856 -24.928 1.00 0.00 N ATOM 1207 CA GLN A 72 17.020 -7.627 -26.410 1.00 0.00 C ATOM 1208 C GLN A 72 15.575 -7.647 -26.927 1.00 0.00 C ATOM 1209 O GLN A 72 14.973 -8.710 -27.069 1.00 0.00 O ATOM 1210 CB GLN A 72 17.826 -8.726 -27.119 1.00 0.00 C ATOM 1211 CG GLN A 72 18.081 -8.322 -28.574 1.00 0.00 C ATOM 1212 CD GLN A 72 19.505 -7.770 -28.709 1.00 0.00 C ATOM 1213 OE1 GLN A 72 19.699 -6.477 -28.811 1.00 0.00 O flip ATOM 1214 NE2 GLN A 72 20.469 -8.533 -28.724 1.00 0.00 N flip ATOM 0 H GLN A 72 17.537 -8.672 -24.610 1.00 0.00 H new ATOM 0 HA GLN A 72 17.481 -6.662 -26.618 1.00 0.00 H new ATOM 0 HB2 GLN A 72 18.774 -8.885 -26.604 1.00 0.00 H new ATOM 0 HB3 GLN A 72 17.282 -9.670 -27.084 1.00 0.00 H new ATOM 0 HG2 GLN A 72 17.949 -9.183 -29.230 1.00 0.00 H new ATOM 0 HG3 GLN A 72 17.357 -7.570 -28.886 1.00 0.00 H new ATOM 0 HE21 GLN A 72 20.324 -9.540 -28.645 1.00 0.00 H new ATOM 0 HE22 GLN A 72 21.414 -8.159 -28.815 1.00 0.00 H new ATOM 1215 N GLY A 73 14.997 -6.498 -27.206 1.00 0.00 N ATOM 1216 CA GLY A 73 13.591 -6.476 -27.703 1.00 0.00 C ATOM 1217 C GLY A 73 12.640 -6.770 -26.535 1.00 0.00 C ATOM 1218 O GLY A 73 11.971 -7.803 -26.513 1.00 0.00 O ATOM 0 H GLY A 73 15.439 -5.584 -27.110 1.00 0.00 H new ATOM 0 HA2 GLY A 73 13.362 -5.504 -28.139 1.00 0.00 H new ATOM 0 HA3 GLY A 73 13.459 -7.218 -28.491 1.00 0.00 H new ATOM 1219 N PHE A 74 12.565 -5.891 -25.558 1.00 0.00 N ATOM 1220 CA PHE A 74 11.659 -6.143 -24.399 1.00 0.00 C ATOM 1221 C PHE A 74 10.476 -5.158 -24.443 1.00 0.00 C ATOM 1222 O PHE A 74 10.480 -4.230 -25.249 1.00 0.00 O ATOM 1223 CB PHE A 74 12.439 -5.954 -23.093 1.00 0.00 C ATOM 1224 CG PHE A 74 12.705 -7.299 -22.457 1.00 0.00 C ATOM 1225 CD1 PHE A 74 13.293 -8.325 -23.208 1.00 0.00 C ATOM 1226 CD2 PHE A 74 12.363 -7.521 -21.118 1.00 0.00 C ATOM 1227 CE1 PHE A 74 13.538 -9.571 -22.619 1.00 0.00 C ATOM 1228 CE2 PHE A 74 12.607 -8.767 -20.530 1.00 0.00 C ATOM 1229 CZ PHE A 74 13.196 -9.792 -21.279 1.00 0.00 C ATOM 0 H PHE A 74 13.090 -5.018 -25.518 1.00 0.00 H new ATOM 0 HA PHE A 74 11.278 -7.163 -24.450 1.00 0.00 H new ATOM 0 HB2 PHE A 74 13.381 -5.443 -23.292 1.00 0.00 H new ATOM 0 HB3 PHE A 74 11.872 -5.323 -22.408 1.00 0.00 H new ATOM 0 HD1 PHE A 74 13.557 -8.155 -24.241 1.00 0.00 H new ATOM 0 HD2 PHE A 74 11.910 -6.730 -20.538 1.00 0.00 H new ATOM 0 HE1 PHE A 74 13.991 -10.362 -23.198 1.00 0.00 H new ATOM 0 HE2 PHE A 74 12.341 -8.938 -19.497 1.00 0.00 H new ATOM 0 HZ PHE A 74 13.387 -10.753 -20.824 1.00 0.00 H new ATOM 1230 N PRO A 75 9.488 -5.369 -23.587 1.00 0.00 N ATOM 1231 CA PRO A 75 8.301 -4.495 -23.535 1.00 0.00 C ATOM 1232 C PRO A 75 8.621 -3.191 -22.786 1.00 0.00 C ATOM 1233 O PRO A 75 9.376 -3.188 -21.816 1.00 0.00 O ATOM 1234 CB PRO A 75 7.271 -5.327 -22.767 1.00 0.00 C ATOM 1235 CG PRO A 75 8.069 -6.360 -21.939 1.00 0.00 C ATOM 1236 CD PRO A 75 9.453 -6.480 -22.602 1.00 0.00 C ATOM 0 HA PRO A 75 7.949 -4.197 -24.523 1.00 0.00 H new ATOM 0 HB2 PRO A 75 6.667 -4.693 -22.118 1.00 0.00 H new ATOM 0 HB3 PRO A 75 6.586 -5.826 -23.453 1.00 0.00 H new ATOM 0 HG2 PRO A 75 8.163 -6.037 -20.902 1.00 0.00 H new ATOM 0 HG3 PRO A 75 7.560 -7.324 -21.927 1.00 0.00 H new ATOM 0 HD2 PRO A 75 10.254 -6.387 -21.869 1.00 0.00 H new ATOM 0 HD3 PRO A 75 9.578 -7.447 -23.089 1.00 0.00 H new ATOM 1237 N PHE A 76 8.059 -2.081 -23.213 1.00 0.00 N ATOM 1238 CA PHE A 76 8.336 -0.787 -22.517 1.00 0.00 C ATOM 1239 C PHE A 76 7.195 0.204 -22.805 1.00 0.00 C ATOM 1240 O PHE A 76 7.054 0.688 -23.927 1.00 0.00 O ATOM 1241 CB PHE A 76 9.658 -0.208 -23.030 1.00 0.00 C ATOM 1242 CG PHE A 76 10.432 0.393 -21.880 1.00 0.00 C ATOM 1243 CD1 PHE A 76 10.702 -0.375 -20.741 1.00 0.00 C ATOM 1244 CD2 PHE A 76 10.880 1.717 -21.955 1.00 0.00 C ATOM 1245 CE1 PHE A 76 11.420 0.182 -19.675 1.00 0.00 C ATOM 1246 CE2 PHE A 76 11.598 2.274 -20.890 1.00 0.00 C ATOM 1247 CZ PHE A 76 11.868 1.507 -19.749 1.00 0.00 C ATOM 0 H PHE A 76 7.424 -2.019 -24.009 1.00 0.00 H new ATOM 0 HA PHE A 76 8.405 -0.957 -21.443 1.00 0.00 H new ATOM 0 HB2 PHE A 76 10.247 -0.990 -23.508 1.00 0.00 H new ATOM 0 HB3 PHE A 76 9.464 0.552 -23.787 1.00 0.00 H new ATOM 0 HD1 PHE A 76 10.357 -1.397 -20.684 1.00 0.00 H new ATOM 0 HD2 PHE A 76 10.672 2.309 -22.834 1.00 0.00 H new ATOM 0 HE1 PHE A 76 11.628 -0.410 -18.796 1.00 0.00 H new ATOM 0 HE2 PHE A 76 11.944 3.295 -20.948 1.00 0.00 H new ATOM 0 HZ PHE A 76 12.421 1.937 -18.927 1.00 0.00 H new ATOM 1248 N TYR A 77 6.372 0.510 -21.824 1.00 0.00 N ATOM 1249 CA TYR A 77 5.247 1.460 -22.064 1.00 0.00 C ATOM 1250 C TYR A 77 4.354 0.923 -23.194 1.00 0.00 C ATOM 1251 O TYR A 77 3.911 1.676 -24.060 1.00 0.00 O ATOM 1252 CB TYR A 77 5.805 2.829 -22.457 1.00 0.00 C ATOM 1253 CG TYR A 77 6.537 3.423 -21.279 1.00 0.00 C ATOM 1254 CD1 TYR A 77 7.889 3.125 -21.073 1.00 0.00 C ATOM 1255 CD2 TYR A 77 5.863 4.270 -20.393 1.00 0.00 C ATOM 1256 CE1 TYR A 77 8.567 3.675 -19.981 1.00 0.00 C ATOM 1257 CE2 TYR A 77 6.541 4.820 -19.299 1.00 0.00 C ATOM 1258 CZ TYR A 77 7.894 4.523 -19.093 1.00 0.00 C ATOM 1259 OH TYR A 77 8.563 5.065 -18.015 1.00 0.00 O ATOM 0 H TYR A 77 6.435 0.142 -20.875 1.00 0.00 H new ATOM 0 HA TYR A 77 4.657 1.560 -21.153 1.00 0.00 H new ATOM 0 HB2 TYR A 77 6.480 2.730 -23.307 1.00 0.00 H new ATOM 0 HB3 TYR A 77 4.996 3.489 -22.768 1.00 0.00 H new ATOM 0 HD1 TYR A 77 8.408 2.470 -21.757 1.00 0.00 H new ATOM 0 HD2 TYR A 77 4.820 4.499 -20.553 1.00 0.00 H new ATOM 0 HE1 TYR A 77 9.610 3.446 -19.822 1.00 0.00 H new ATOM 0 HE2 TYR A 77 6.021 5.473 -18.614 1.00 0.00 H new ATOM 0 HH TYR A 77 8.042 4.917 -17.198 1.00 0.00 H new ATOM 1260 N ASP A 78 4.073 -0.364 -23.205 1.00 0.00 N ATOM 1261 CA ASP A 78 3.206 -0.932 -24.279 1.00 0.00 C ATOM 1262 C ASP A 78 3.857 -0.696 -25.651 1.00 0.00 C ATOM 1263 O ASP A 78 3.358 0.086 -26.459 1.00 0.00 O ATOM 1264 CB ASP A 78 1.833 -0.255 -24.238 1.00 0.00 C ATOM 1265 CG ASP A 78 0.800 -1.155 -24.918 1.00 0.00 C ATOM 1266 OD1 ASP A 78 0.540 -2.226 -24.394 1.00 0.00 O ATOM 1267 OD2 ASP A 78 0.285 -0.759 -25.951 1.00 0.00 O ATOM 0 H ASP A 78 4.408 -1.038 -22.517 1.00 0.00 H new ATOM 0 HA ASP A 78 3.088 -2.004 -24.118 1.00 0.00 H new ATOM 0 HB2 ASP A 78 1.541 -0.064 -23.205 1.00 0.00 H new ATOM 0 HB3 ASP A 78 1.877 0.711 -24.741 1.00 0.00 H new ATOM 1268 N LYS A 79 4.960 -1.357 -25.940 1.00 0.00 N ATOM 1269 CA LYS A 79 5.623 -1.159 -27.273 1.00 0.00 C ATOM 1270 C LYS A 79 6.919 -2.000 -27.348 1.00 0.00 C ATOM 1271 O LYS A 79 7.609 -2.141 -26.342 1.00 0.00 O ATOM 1272 CB LYS A 79 5.972 0.326 -27.455 1.00 0.00 C ATOM 1273 CG LYS A 79 5.006 0.973 -28.455 1.00 0.00 C ATOM 1274 CD LYS A 79 5.671 1.066 -29.834 1.00 0.00 C ATOM 1275 CE LYS A 79 5.307 2.399 -30.492 1.00 0.00 C ATOM 1276 NZ LYS A 79 6.325 2.735 -31.528 1.00 0.00 N ATOM 0 H LYS A 79 5.424 -2.018 -25.317 1.00 0.00 H new ATOM 0 HA LYS A 79 4.941 -1.477 -28.061 1.00 0.00 H new ATOM 0 HB2 LYS A 79 5.915 0.842 -26.496 1.00 0.00 H new ATOM 0 HB3 LYS A 79 6.998 0.426 -27.811 1.00 0.00 H new ATOM 0 HG2 LYS A 79 4.090 0.386 -28.522 1.00 0.00 H new ATOM 0 HG3 LYS A 79 4.723 1.967 -28.110 1.00 0.00 H new ATOM 0 HD2 LYS A 79 6.753 0.982 -29.733 1.00 0.00 H new ATOM 0 HD3 LYS A 79 5.345 0.238 -30.463 1.00 0.00 H new ATOM 0 HE2 LYS A 79 4.318 2.335 -30.946 1.00 0.00 H new ATOM 0 HE3 LYS A 79 5.263 3.188 -29.741 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 6.079 3.641 -31.976 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 7.261 2.813 -31.082 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 6.346 1.986 -32.250 1.00 0.00 H new ATOM 1277 N PRO A 80 7.234 -2.537 -28.517 1.00 0.00 N ATOM 1278 CA PRO A 80 8.452 -3.351 -28.690 1.00 0.00 C ATOM 1279 C PRO A 80 9.682 -2.440 -28.819 1.00 0.00 C ATOM 1280 O PRO A 80 9.671 -1.477 -29.584 1.00 0.00 O ATOM 1281 CB PRO A 80 8.198 -4.112 -29.993 1.00 0.00 C ATOM 1282 CG PRO A 80 7.147 -3.295 -30.781 1.00 0.00 C ATOM 1283 CD PRO A 80 6.433 -2.392 -29.760 1.00 0.00 C ATOM 0 HA PRO A 80 8.648 -4.016 -27.849 1.00 0.00 H new ATOM 0 HB2 PRO A 80 9.119 -4.216 -30.567 1.00 0.00 H new ATOM 0 HB3 PRO A 80 7.834 -5.119 -29.789 1.00 0.00 H new ATOM 0 HG2 PRO A 80 7.624 -2.698 -31.558 1.00 0.00 H new ATOM 0 HG3 PRO A 80 6.436 -3.955 -31.277 1.00 0.00 H new ATOM 0 HD2 PRO A 80 6.405 -1.356 -30.097 1.00 0.00 H new ATOM 0 HD3 PRO A 80 5.400 -2.705 -29.606 1.00 0.00 H new ATOM 1284 N MET A 81 10.742 -2.713 -28.089 1.00 0.00 N ATOM 1285 CA MET A 81 11.952 -1.845 -28.189 1.00 0.00 C ATOM 1286 C MET A 81 13.222 -2.712 -28.216 1.00 0.00 C ATOM 1287 O MET A 81 13.503 -3.452 -27.274 1.00 0.00 O ATOM 1288 CB MET A 81 12.006 -0.889 -26.990 1.00 0.00 C ATOM 1289 CG MET A 81 11.799 -1.662 -25.684 1.00 0.00 C ATOM 1290 SD MET A 81 12.928 -1.022 -24.421 1.00 0.00 S ATOM 1291 CE MET A 81 13.342 -2.608 -23.652 1.00 0.00 C ATOM 0 H MET A 81 10.817 -3.493 -27.436 1.00 0.00 H new ATOM 0 HA MET A 81 11.896 -1.266 -29.111 1.00 0.00 H new ATOM 0 HB2 MET A 81 12.967 -0.376 -26.968 1.00 0.00 H new ATOM 0 HB3 MET A 81 11.238 -0.122 -27.093 1.00 0.00 H new ATOM 0 HG2 MET A 81 10.767 -1.562 -25.349 1.00 0.00 H new ATOM 0 HG3 MET A 81 11.980 -2.725 -25.845 1.00 0.00 H new ATOM 0 HE1 MET A 81 14.191 -2.477 -22.981 1.00 0.00 H new ATOM 0 HE2 MET A 81 12.485 -2.972 -23.085 1.00 0.00 H new ATOM 0 HE3 MET A 81 13.599 -3.331 -24.426 1.00 0.00 H new ATOM 1292 N ARG A 82 14.004 -2.628 -29.272 1.00 0.00 N ATOM 1293 CA ARG A 82 15.256 -3.441 -29.336 1.00 0.00 C ATOM 1294 C ARG A 82 16.394 -2.653 -28.674 1.00 0.00 C ATOM 1295 O ARG A 82 16.404 -1.423 -28.706 1.00 0.00 O ATOM 1296 CB ARG A 82 15.618 -3.752 -30.799 1.00 0.00 C ATOM 1297 CG ARG A 82 15.879 -2.451 -31.575 1.00 0.00 C ATOM 1298 CD ARG A 82 14.755 -2.213 -32.588 1.00 0.00 C ATOM 1299 NE ARG A 82 14.982 -3.064 -33.790 1.00 0.00 N ATOM 1300 CZ ARG A 82 15.588 -2.571 -34.835 1.00 0.00 C ATOM 1301 NH1 ARG A 82 15.100 -1.523 -35.439 1.00 0.00 N ATOM 1302 NH2 ARG A 82 16.685 -3.127 -35.275 1.00 0.00 N ATOM 0 H ARG A 82 13.827 -2.036 -30.083 1.00 0.00 H new ATOM 0 HA ARG A 82 15.103 -4.384 -28.811 1.00 0.00 H new ATOM 0 HB2 ARG A 82 16.503 -4.388 -30.834 1.00 0.00 H new ATOM 0 HB3 ARG A 82 14.808 -4.308 -31.271 1.00 0.00 H new ATOM 0 HG2 ARG A 82 15.941 -1.611 -30.883 1.00 0.00 H new ATOM 0 HG3 ARG A 82 16.838 -2.511 -32.090 1.00 0.00 H new ATOM 0 HD2 ARG A 82 13.790 -2.449 -32.139 1.00 0.00 H new ATOM 0 HD3 ARG A 82 14.725 -1.162 -32.874 1.00 0.00 H new ATOM 0 HE ARG A 82 14.663 -4.033 -33.796 1.00 0.00 H new ATOM 0 HH11 ARG A 82 14.244 -1.088 -35.094 1.00 0.00 H new ATOM 0 HH12 ARG A 82 15.574 -1.138 -36.256 1.00 0.00 H new ATOM 0 HH21 ARG A 82 17.067 -3.946 -34.802 1.00 0.00 H new ATOM 0 HH22 ARG A 82 17.160 -2.742 -36.092 1.00 0.00 H new ATOM 1303 N ILE A 83 17.345 -3.325 -28.067 1.00 0.00 N ATOM 1304 CA ILE A 83 18.458 -2.587 -27.403 1.00 0.00 C ATOM 1305 C ILE A 83 19.742 -2.691 -28.240 1.00 0.00 C ATOM 1306 O ILE A 83 20.101 -3.764 -28.722 1.00 0.00 O ATOM 1307 CB ILE A 83 18.703 -3.172 -26.014 1.00 0.00 C ATOM 1308 CG1 ILE A 83 17.394 -3.143 -25.219 1.00 0.00 C ATOM 1309 CG2 ILE A 83 19.762 -2.336 -25.287 1.00 0.00 C ATOM 1310 CD1 ILE A 83 17.600 -3.823 -23.866 1.00 0.00 C ATOM 0 H ILE A 83 17.396 -4.342 -28.005 1.00 0.00 H new ATOM 0 HA ILE A 83 18.180 -1.537 -27.314 1.00 0.00 H new ATOM 0 HB ILE A 83 19.054 -4.200 -26.105 1.00 0.00 H new ATOM 0 HG12 ILE A 83 17.068 -2.113 -25.074 1.00 0.00 H new ATOM 0 HG13 ILE A 83 16.607 -3.651 -25.776 1.00 0.00 H new ATOM 0 HG21 ILE A 83 19.937 -2.753 -24.295 1.00 0.00 H new ATOM 0 HG22 ILE A 83 20.691 -2.351 -25.856 1.00 0.00 H new ATOM 0 HG23 ILE A 83 19.412 -1.308 -25.191 1.00 0.00 H new ATOM 0 HD11 ILE A 83 16.667 -3.801 -23.302 1.00 0.00 H new ATOM 0 HD12 ILE A 83 17.906 -4.858 -24.022 1.00 0.00 H new ATOM 0 HD13 ILE A 83 18.374 -3.296 -23.308 1.00 0.00 H new ATOM 1311 N GLN A 84 20.445 -1.595 -28.413 1.00 0.00 N ATOM 1312 CA GLN A 84 21.710 -1.627 -29.206 1.00 0.00 C ATOM 1313 C GLN A 84 22.699 -0.624 -28.596 1.00 0.00 C ATOM 1314 O GLN A 84 22.316 0.489 -28.242 1.00 0.00 O ATOM 1315 CB GLN A 84 21.414 -1.242 -30.658 1.00 0.00 C ATOM 1316 CG GLN A 84 20.726 0.124 -30.697 1.00 0.00 C ATOM 1317 CD GLN A 84 20.179 0.384 -32.106 1.00 0.00 C ATOM 1318 OE1 GLN A 84 19.703 -0.536 -32.766 1.00 0.00 O ATOM 1319 NE2 GLN A 84 20.218 1.594 -32.611 1.00 0.00 N ATOM 0 H GLN A 84 20.194 -0.680 -28.037 1.00 0.00 H new ATOM 0 HA GLN A 84 22.138 -2.629 -29.184 1.00 0.00 H new ATOM 0 HB2 GLN A 84 22.340 -1.211 -31.232 1.00 0.00 H new ATOM 0 HB3 GLN A 84 20.777 -1.995 -31.122 1.00 0.00 H new ATOM 0 HG2 GLN A 84 19.915 0.155 -29.970 1.00 0.00 H new ATOM 0 HG3 GLN A 84 21.433 0.906 -30.420 1.00 0.00 H new ATOM 0 HE21 GLN A 84 20.612 2.361 -32.067 1.00 0.00 H new ATOM 0 HE22 GLN A 84 19.854 1.768 -33.548 1.00 0.00 H new ATOM 1320 N TYR A 85 23.957 -0.985 -28.447 1.00 0.00 N ATOM 1321 CA TYR A 85 24.942 -0.027 -27.835 1.00 0.00 C ATOM 1322 C TYR A 85 24.851 1.348 -28.521 1.00 0.00 C ATOM 1323 O TYR A 85 24.125 1.520 -29.498 1.00 0.00 O ATOM 1324 CB TYR A 85 26.370 -0.566 -27.975 1.00 0.00 C ATOM 1325 CG TYR A 85 26.538 -1.784 -27.100 1.00 0.00 C ATOM 1326 CD1 TYR A 85 26.190 -1.733 -25.741 1.00 0.00 C ATOM 1327 CD2 TYR A 85 27.041 -2.969 -27.649 1.00 0.00 C ATOM 1328 CE1 TYR A 85 26.348 -2.866 -24.936 1.00 0.00 C ATOM 1329 CE2 TYR A 85 27.198 -4.102 -26.844 1.00 0.00 C ATOM 1330 CZ TYR A 85 26.852 -4.053 -25.489 1.00 0.00 C ATOM 1331 OH TYR A 85 27.009 -5.174 -24.702 1.00 0.00 O ATOM 0 H TYR A 85 24.341 -1.890 -28.719 1.00 0.00 H new ATOM 0 HA TYR A 85 24.698 0.080 -26.778 1.00 0.00 H new ATOM 0 HB2 TYR A 85 26.573 -0.822 -29.015 1.00 0.00 H new ATOM 0 HB3 TYR A 85 27.089 0.202 -27.689 1.00 0.00 H new ATOM 0 HD1 TYR A 85 25.800 -0.819 -25.317 1.00 0.00 H new ATOM 0 HD2 TYR A 85 27.308 -3.009 -28.695 1.00 0.00 H new ATOM 0 HE1 TYR A 85 26.082 -2.827 -23.890 1.00 0.00 H new ATOM 0 HE2 TYR A 85 27.587 -5.016 -27.269 1.00 0.00 H new ATOM 0 HH TYR A 85 27.368 -5.907 -25.245 1.00 0.00 H new ATOM 1332 N ALA A 86 25.571 2.333 -28.027 1.00 0.00 N ATOM 1333 CA ALA A 86 25.510 3.686 -28.653 1.00 0.00 C ATOM 1334 C ALA A 86 26.546 3.778 -29.782 1.00 0.00 C ATOM 1335 O ALA A 86 27.226 2.802 -30.093 1.00 0.00 O ATOM 1336 CB ALA A 86 25.799 4.763 -27.599 1.00 0.00 C ATOM 0 H ALA A 86 26.193 2.254 -27.222 1.00 0.00 H new ATOM 0 HA ALA A 86 24.513 3.846 -29.062 1.00 0.00 H new ATOM 0 HB1 ALA A 86 25.753 5.748 -28.063 1.00 0.00 H new ATOM 0 HB2 ALA A 86 25.057 4.702 -26.803 1.00 0.00 H new ATOM 0 HB3 ALA A 86 26.793 4.605 -27.181 1.00 0.00 H new ATOM 1337 N LYS A 87 26.681 4.928 -30.409 1.00 0.00 N ATOM 1338 CA LYS A 87 27.674 5.057 -31.517 1.00 0.00 C ATOM 1339 C LYS A 87 29.012 5.554 -30.950 1.00 0.00 C ATOM 1340 O LYS A 87 30.075 5.051 -31.315 1.00 0.00 O ATOM 1341 CB LYS A 87 27.163 6.056 -32.570 1.00 0.00 C ATOM 1342 CG LYS A 87 25.690 5.764 -32.904 1.00 0.00 C ATOM 1343 CD LYS A 87 25.527 5.531 -34.410 1.00 0.00 C ATOM 1344 CE LYS A 87 25.583 6.869 -35.156 1.00 0.00 C ATOM 1345 NZ LYS A 87 26.779 6.891 -36.044 1.00 0.00 N ATOM 0 H LYS A 87 26.149 5.773 -30.200 1.00 0.00 H new ATOM 0 HA LYS A 87 27.812 4.083 -31.986 1.00 0.00 H new ATOM 0 HB2 LYS A 87 27.264 7.075 -32.196 1.00 0.00 H new ATOM 0 HB3 LYS A 87 27.770 5.987 -33.473 1.00 0.00 H new ATOM 0 HG2 LYS A 87 25.351 4.886 -32.354 1.00 0.00 H new ATOM 0 HG3 LYS A 87 25.065 6.599 -32.588 1.00 0.00 H new ATOM 0 HD2 LYS A 87 26.315 4.870 -34.772 1.00 0.00 H new ATOM 0 HD3 LYS A 87 24.578 5.034 -34.609 1.00 0.00 H new ATOM 0 HE2 LYS A 87 24.676 7.008 -35.745 1.00 0.00 H new ATOM 0 HE3 LYS A 87 25.630 7.693 -34.444 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 26.809 7.791 -36.564 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 27.640 6.794 -35.469 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 26.724 6.103 -36.720 1.00 0.00 H new ATOM 1346 N THR A 88 28.992 6.531 -30.069 1.00 0.00 N ATOM 1347 CA THR A 88 30.268 7.043 -29.496 1.00 0.00 C ATOM 1348 C THR A 88 30.305 6.761 -27.986 1.00 0.00 C ATOM 1349 O THR A 88 29.365 6.197 -27.430 1.00 0.00 O ATOM 1350 CB THR A 88 30.363 8.552 -29.739 1.00 0.00 C ATOM 1351 OG1 THR A 88 29.127 9.163 -29.397 1.00 0.00 O ATOM 1352 CG2 THR A 88 30.674 8.812 -31.212 1.00 0.00 C ATOM 0 H THR A 88 28.147 6.990 -29.727 1.00 0.00 H new ATOM 0 HA THR A 88 31.109 6.543 -29.976 1.00 0.00 H new ATOM 0 HB THR A 88 31.158 8.972 -29.123 1.00 0.00 H new ATOM 0 HG1 THR A 88 29.186 10.129 -29.550 1.00 0.00 H new ATOM 0 HG21 THR A 88 30.742 9.886 -31.386 1.00 0.00 H new ATOM 0 HG22 THR A 88 31.622 8.342 -31.472 1.00 0.00 H new ATOM 0 HG23 THR A 88 29.880 8.394 -31.831 1.00 0.00 H new ATOM 1353 N ASP A 89 31.368 7.141 -27.307 1.00 0.00 N ATOM 1354 CA ASP A 89 31.437 6.884 -25.834 1.00 0.00 C ATOM 1355 C ASP A 89 30.646 7.969 -25.091 1.00 0.00 C ATOM 1356 O ASP A 89 30.092 8.875 -25.711 1.00 0.00 O ATOM 1357 CB ASP A 89 32.897 6.903 -25.360 1.00 0.00 C ATOM 1358 CG ASP A 89 33.658 5.745 -26.007 1.00 0.00 C ATOM 1359 OD1 ASP A 89 33.240 4.613 -25.828 1.00 0.00 O ATOM 1360 OD2 ASP A 89 34.647 6.011 -26.672 1.00 0.00 O ATOM 0 H ASP A 89 32.180 7.612 -27.707 1.00 0.00 H new ATOM 0 HA ASP A 89 31.009 5.904 -25.624 1.00 0.00 H new ATOM 0 HB2 ASP A 89 33.364 7.852 -25.624 1.00 0.00 H new ATOM 0 HB3 ASP A 89 32.939 6.818 -24.274 1.00 0.00 H new ATOM 1361 N SER A 90 30.574 7.902 -23.779 1.00 0.00 N ATOM 1362 CA SER A 90 29.809 8.939 -23.022 1.00 0.00 C ATOM 1363 C SER A 90 30.761 10.044 -22.547 1.00 0.00 C ATOM 1364 O SER A 90 31.946 9.801 -22.320 1.00 0.00 O ATOM 1365 CB SER A 90 29.138 8.300 -21.803 1.00 0.00 C ATOM 1366 OG SER A 90 27.950 9.016 -21.490 1.00 0.00 O ATOM 0 H SER A 90 31.010 7.178 -23.207 1.00 0.00 H new ATOM 0 HA SER A 90 29.050 9.366 -23.677 1.00 0.00 H new ATOM 0 HB2 SER A 90 28.903 7.256 -22.009 1.00 0.00 H new ATOM 0 HB3 SER A 90 29.818 8.312 -20.951 1.00 0.00 H new ATOM 0 HG SER A 90 27.278 8.854 -22.185 1.00 0.00 H new ATOM 1367 N ASP A 91 30.272 11.256 -22.381 1.00 0.00 N ATOM 1368 CA ASP A 91 31.160 12.358 -21.912 1.00 0.00 C ATOM 1369 C ASP A 91 31.183 12.412 -20.376 1.00 0.00 C ATOM 1370 O ASP A 91 32.139 12.922 -19.793 1.00 0.00 O ATOM 1371 CB ASP A 91 30.678 13.700 -22.470 1.00 0.00 C ATOM 1372 CG ASP A 91 31.446 14.025 -23.753 1.00 0.00 C ATOM 1373 OD1 ASP A 91 31.366 13.240 -24.682 1.00 0.00 O ATOM 1374 OD2 ASP A 91 32.102 15.054 -23.783 1.00 0.00 O ATOM 0 H ASP A 91 29.302 11.521 -22.551 1.00 0.00 H new ATOM 0 HA ASP A 91 32.170 12.164 -22.273 1.00 0.00 H new ATOM 0 HB2 ASP A 91 29.608 13.658 -22.675 1.00 0.00 H new ATOM 0 HB3 ASP A 91 30.830 14.488 -21.733 1.00 0.00 H new ATOM 1375 N ILE A 92 30.179 11.892 -19.693 1.00 0.00 N ATOM 1376 CA ILE A 92 30.225 11.921 -18.200 1.00 0.00 C ATOM 1377 C ILE A 92 31.499 11.198 -17.707 1.00 0.00 C ATOM 1378 O ILE A 92 31.990 11.488 -16.619 1.00 0.00 O ATOM 1379 CB ILE A 92 28.980 11.245 -17.608 1.00 0.00 C ATOM 1380 CG1 ILE A 92 28.841 9.826 -18.168 1.00 0.00 C ATOM 1381 CG2 ILE A 92 27.736 12.060 -17.967 1.00 0.00 C ATOM 1382 CD1 ILE A 92 28.362 8.879 -17.066 1.00 0.00 C ATOM 0 H ILE A 92 29.350 11.459 -20.101 1.00 0.00 H new ATOM 0 HA ILE A 92 30.244 12.960 -17.870 1.00 0.00 H new ATOM 0 HB ILE A 92 29.082 11.194 -16.524 1.00 0.00 H new ATOM 0 HG12 ILE A 92 28.134 9.820 -18.998 1.00 0.00 H new ATOM 0 HG13 ILE A 92 29.798 9.485 -18.562 1.00 0.00 H new ATOM 0 HG21 ILE A 92 26.852 11.580 -17.547 1.00 0.00 H new ATOM 0 HG22 ILE A 92 27.830 13.067 -17.560 1.00 0.00 H new ATOM 0 HG23 ILE A 92 27.638 12.115 -19.051 1.00 0.00 H new ATOM 0 HD11 ILE A 92 28.265 7.871 -17.469 1.00 0.00 H new ATOM 0 HD12 ILE A 92 29.085 8.875 -16.250 1.00 0.00 H new ATOM 0 HD13 ILE A 92 27.395 9.215 -16.692 1.00 0.00 H new ATOM 1383 N ILE A 93 32.073 10.284 -18.485 1.00 0.00 N ATOM 1384 CA ILE A 93 33.328 9.607 -18.025 1.00 0.00 C ATOM 1385 C ILE A 93 34.484 10.603 -18.193 1.00 0.00 C ATOM 1386 O ILE A 93 35.366 10.702 -17.344 1.00 0.00 O ATOM 1387 CB ILE A 93 33.662 8.332 -18.839 1.00 0.00 C ATOM 1388 CG1 ILE A 93 32.428 7.642 -19.467 1.00 0.00 C ATOM 1389 CG2 ILE A 93 34.360 7.330 -17.917 1.00 0.00 C ATOM 1390 CD1 ILE A 93 31.280 7.504 -18.463 1.00 0.00 C ATOM 0 H ILE A 93 31.726 9.990 -19.398 1.00 0.00 H new ATOM 0 HA ILE A 93 33.184 9.302 -16.989 1.00 0.00 H new ATOM 0 HB ILE A 93 34.299 8.650 -19.665 1.00 0.00 H new ATOM 0 HG12 ILE A 93 32.090 8.217 -20.329 1.00 0.00 H new ATOM 0 HG13 ILE A 93 32.711 6.655 -19.833 1.00 0.00 H new ATOM 0 HG21 ILE A 93 34.601 6.427 -18.477 1.00 0.00 H new ATOM 0 HG22 ILE A 93 35.278 7.771 -17.528 1.00 0.00 H new ATOM 0 HG23 ILE A 93 33.699 7.077 -17.088 1.00 0.00 H new ATOM 0 HD11 ILE A 93 30.433 7.015 -18.944 1.00 0.00 H new ATOM 0 HD12 ILE A 93 31.610 6.906 -17.613 1.00 0.00 H new ATOM 0 HD13 ILE A 93 30.979 8.493 -18.116 1.00 0.00 H new