USER MOD reduce.3.24.130724 H: found=0, std=0, add=736, rem=0, adj=23 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 180:sc= 0.0034 USER MOD Set 1.2: A 85 TYR OH : rot 98:sc= -3.71! USER MOD Set 2.1: A 28 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 77 TYR OH : rot 180:sc= 0 USER MOD Set 3.1: A 12 TYR OH : rot -111:sc= 0.379 USER MOD Set 3.2: A 14 ASN : amide:sc= -0.601 K(o=-1.5,f=-2.5) USER MOD Set 3.3: A 53 GLN :FLIP amide:sc= -1.28 F(o=-2.9,f=-1.5) USER MOD Set 4.1: A 10 THR OG1 : rot -27:sc= 0.889 USER MOD Set 4.2: A 90 SER OG : rot -90:sc= -1.64! USER MOD Single : A 8 ASN :FLIP amide:sc= 0.366 F(o=-0.14,f=0.37) USER MOD Single : A 9 HIS : no HD1:sc= -8! C(o=-8!,f=-15!) USER MOD Single : A 15 ASN : amide:sc= -2.86 K(o=-2.9,f=-6.6!) USER MOD Single : A 17 ASN : amide:sc= -1.25 K(o=-1.2,f=-2.8!) 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+ -151:sc= -0.0337 (180deg=-0.253) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 HIS : no HE2:sc= -6.78! C(o=-6.8!,f=-7.2!) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 38 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 45 SER OG : rot 180:sc= -0.707 USER MOD Single : A 47 SER OG : rot 180:sc= 0.0537 USER MOD Single : A 49 LYS NZ :NH3+ -150:sc= -0.207 (180deg=-1.2) USER MOD Single : A 50 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 59 LYS NZ :NH3+ 158:sc= 0 (180deg=-0.251) USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 63 SER OG : rot 170:sc= -0.14 USER MOD Single : A 66 ASN :FLIP amide:sc= 0.818 F(o=-1.1,f=0.82) USER MOD Single : A 70 SER OG : rot -148:sc= 1.84 USER MOD Single : A 71 MET CE :methyl -127:sc= -0.194 (180deg=-2.68) USER MOD Single : A 72 GLN : amide:sc= -0.0394 X(o=-0.039,f=0) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 MET CE :methyl 160:sc= -1.93 (180deg=-2.8!) USER MOD Single : A 84 GLN : amide:sc= -3.13 K(o=-3.1,f=-7.5!) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 682 N PRO A 7 31.591 -3.246 -28.539 1.00 0.00 N ATOM 683 CA PRO A 7 31.413 -2.889 -27.121 1.00 0.00 C ATOM 684 C PRO A 7 31.224 -1.375 -26.961 1.00 0.00 C ATOM 685 O PRO A 7 31.511 -0.599 -27.872 1.00 0.00 O ATOM 686 CB PRO A 7 32.730 -3.316 -26.472 1.00 0.00 C ATOM 687 CG PRO A 7 33.788 -3.328 -27.603 1.00 0.00 C ATOM 688 CD PRO A 7 33.018 -3.371 -28.936 1.00 0.00 C ATOM 0 HA PRO A 7 30.537 -3.363 -26.679 1.00 0.00 H new ATOM 0 HB2 PRO A 7 33.015 -2.624 -25.680 1.00 0.00 H new ATOM 0 HB3 PRO A 7 32.637 -4.302 -26.016 1.00 0.00 H new ATOM 0 HG2 PRO A 7 34.419 -2.441 -27.550 1.00 0.00 H new ATOM 0 HG3 PRO A 7 34.445 -4.193 -27.508 1.00 0.00 H new ATOM 0 HD2 PRO A 7 33.320 -2.558 -29.596 1.00 0.00 H new ATOM 0 HD3 PRO A 7 33.202 -4.302 -29.472 1.00 0.00 H new ATOM 689 N ASN A 8 30.753 -0.939 -25.816 1.00 0.00 N ATOM 690 CA ASN A 8 30.558 0.531 -25.599 1.00 0.00 C ATOM 691 C ASN A 8 30.203 0.811 -24.127 1.00 0.00 C ATOM 692 O ASN A 8 29.797 -0.090 -23.395 1.00 0.00 O ATOM 693 CB ASN A 8 29.429 1.033 -26.496 1.00 0.00 C ATOM 694 CG ASN A 8 29.721 2.474 -26.933 1.00 0.00 C ATOM 695 OD1 ASN A 8 30.826 2.749 -27.585 1.00 0.00 O flip ATOM 696 ND2 ASN A 8 28.925 3.374 -26.678 1.00 0.00 N flip ATOM 0 H ASN A 8 30.497 -1.533 -25.027 1.00 0.00 H new ATOM 0 HA ASN A 8 31.484 1.050 -25.846 1.00 0.00 H new ATOM 0 HB2 ASN A 8 29.332 0.390 -27.371 1.00 0.00 H new ATOM 0 HB3 ASN A 8 28.480 0.990 -25.962 1.00 0.00 H new ATOM 0 HD21 ASN A 8 28.065 3.165 -26.171 1.00 0.00 H new ATOM 0 HD22 ASN A 8 29.124 4.330 -26.973 1.00 0.00 H new ATOM 697 N HIS A 9 30.348 2.038 -23.672 1.00 0.00 N ATOM 698 CA HIS A 9 30.018 2.348 -22.247 1.00 0.00 C ATOM 699 C HIS A 9 28.632 3.015 -22.150 1.00 0.00 C ATOM 700 O HIS A 9 28.410 3.859 -21.283 1.00 0.00 O ATOM 701 CB HIS A 9 31.077 3.301 -21.685 1.00 0.00 C ATOM 702 CG HIS A 9 31.193 3.112 -20.196 1.00 0.00 C ATOM 703 ND1 HIS A 9 32.419 2.998 -19.560 1.00 0.00 N ATOM 704 CD2 HIS A 9 30.248 3.018 -19.205 1.00 0.00 C ATOM 705 CE1 HIS A 9 32.182 2.843 -18.245 1.00 0.00 C ATOM 706 NE2 HIS A 9 30.874 2.849 -17.974 1.00 0.00 N ATOM 0 H HIS A 9 30.678 2.829 -24.224 1.00 0.00 H new ATOM 0 HA HIS A 9 30.004 1.420 -21.675 1.00 0.00 H new ATOM 0 HB2 HIS A 9 32.039 3.112 -22.161 1.00 0.00 H new ATOM 0 HB3 HIS A 9 30.807 4.333 -21.910 1.00 0.00 H new ATOM 0 HD2 HIS A 9 29.180 3.068 -19.358 1.00 0.00 H new ATOM 0 HE1 HIS A 9 32.955 2.728 -17.499 1.00 0.00 H new ATOM 0 HE2 HIS A 9 30.430 2.751 -17.061 1.00 0.00 H new ATOM 707 N THR A 10 27.692 2.662 -23.006 1.00 0.00 N ATOM 708 CA THR A 10 26.335 3.298 -22.929 1.00 0.00 C ATOM 709 C THR A 10 25.342 2.537 -23.825 1.00 0.00 C ATOM 710 O THR A 10 25.690 2.115 -24.927 1.00 0.00 O ATOM 711 CB THR A 10 26.424 4.750 -23.416 1.00 0.00 C ATOM 712 OG1 THR A 10 27.413 5.447 -22.671 1.00 0.00 O ATOM 713 CG2 THR A 10 25.071 5.441 -23.234 1.00 0.00 C ATOM 0 H THR A 10 27.807 1.969 -23.745 1.00 0.00 H new ATOM 0 HA THR A 10 25.990 3.267 -21.895 1.00 0.00 H new ATOM 0 HB THR A 10 26.695 4.755 -24.472 1.00 0.00 H new ATOM 0 HG1 THR A 10 27.501 5.040 -21.784 1.00 0.00 H new ATOM 0 HG21 THR A 10 25.139 6.472 -23.581 1.00 0.00 H new ATOM 0 HG22 THR A 10 24.312 4.913 -23.812 1.00 0.00 H new ATOM 0 HG23 THR A 10 24.796 5.431 -22.179 1.00 0.00 H new ATOM 714 N ILE A 11 24.109 2.365 -23.394 1.00 0.00 N ATOM 715 CA ILE A 11 23.121 1.650 -24.253 1.00 0.00 C ATOM 716 C ILE A 11 22.133 2.675 -24.832 1.00 0.00 C ATOM 717 O ILE A 11 22.126 3.839 -24.424 1.00 0.00 O ATOM 718 CB ILE A 11 22.376 0.582 -23.440 1.00 0.00 C ATOM 719 CG1 ILE A 11 21.568 1.237 -22.320 1.00 0.00 C ATOM 720 CG2 ILE A 11 23.388 -0.387 -22.829 1.00 0.00 C ATOM 721 CD1 ILE A 11 20.621 0.207 -21.703 1.00 0.00 C ATOM 0 H ILE A 11 23.753 2.687 -22.494 1.00 0.00 H new ATOM 0 HA ILE A 11 23.642 1.146 -25.067 1.00 0.00 H new ATOM 0 HB ILE A 11 21.697 0.044 -24.102 1.00 0.00 H new ATOM 0 HG12 ILE A 11 22.239 1.633 -21.557 1.00 0.00 H new ATOM 0 HG13 ILE A 11 20.999 2.080 -22.713 1.00 0.00 H new ATOM 0 HG21 ILE A 11 22.861 -1.146 -22.251 1.00 0.00 H new ATOM 0 HG22 ILE A 11 23.958 -0.867 -23.624 1.00 0.00 H new ATOM 0 HG23 ILE A 11 24.067 0.160 -22.175 1.00 0.00 H new ATOM 0 HD11 ILE A 11 20.045 0.675 -20.904 1.00 0.00 H new ATOM 0 HD12 ILE A 11 19.942 -0.167 -22.469 1.00 0.00 H new ATOM 0 HD13 ILE A 11 21.200 -0.622 -21.295 1.00 0.00 H new ATOM 722 N TYR A 12 21.309 2.284 -25.780 1.00 0.00 N ATOM 723 CA TYR A 12 20.352 3.263 -26.379 1.00 0.00 C ATOM 724 C TYR A 12 19.154 2.513 -27.003 1.00 0.00 C ATOM 725 O TYR A 12 19.327 1.630 -27.841 1.00 0.00 O ATOM 726 CB TYR A 12 21.110 4.087 -27.447 1.00 0.00 C ATOM 727 CG TYR A 12 20.158 4.748 -28.426 1.00 0.00 C ATOM 728 CD1 TYR A 12 19.610 6.006 -28.144 1.00 0.00 C ATOM 729 CD2 TYR A 12 19.830 4.094 -29.620 1.00 0.00 C ATOM 730 CE1 TYR A 12 18.733 6.608 -29.056 1.00 0.00 C ATOM 731 CE2 TYR A 12 18.954 4.693 -30.530 1.00 0.00 C ATOM 732 CZ TYR A 12 18.404 5.952 -30.250 1.00 0.00 C ATOM 733 OH TYR A 12 17.531 6.546 -31.147 1.00 0.00 O ATOM 0 H TYR A 12 21.261 1.338 -26.159 1.00 0.00 H new ATOM 0 HA TYR A 12 19.960 3.934 -25.614 1.00 0.00 H new ATOM 0 HB2 TYR A 12 21.715 4.850 -26.956 1.00 0.00 H new ATOM 0 HB3 TYR A 12 21.796 3.436 -27.989 1.00 0.00 H new ATOM 0 HD1 TYR A 12 19.863 6.512 -27.224 1.00 0.00 H new ATOM 0 HD2 TYR A 12 20.255 3.125 -29.838 1.00 0.00 H new ATOM 0 HE1 TYR A 12 18.310 7.578 -28.839 1.00 0.00 H new ATOM 0 HE2 TYR A 12 18.701 4.186 -31.449 1.00 0.00 H new ATOM 0 HH TYR A 12 16.690 6.043 -31.167 1.00 0.00 H new ATOM 734 N ILE A 13 17.945 2.859 -26.618 1.00 0.00 N ATOM 735 CA ILE A 13 16.751 2.183 -27.196 1.00 0.00 C ATOM 736 C ILE A 13 16.067 3.147 -28.177 1.00 0.00 C ATOM 737 O ILE A 13 16.028 4.353 -27.942 1.00 0.00 O ATOM 738 CB ILE A 13 15.780 1.826 -26.069 1.00 0.00 C ATOM 739 CG1 ILE A 13 16.499 0.954 -25.028 1.00 0.00 C ATOM 740 CG2 ILE A 13 14.587 1.061 -26.645 1.00 0.00 C ATOM 741 CD1 ILE A 13 16.128 1.425 -23.620 1.00 0.00 C ATOM 0 H ILE A 13 17.741 3.582 -25.928 1.00 0.00 H new ATOM 0 HA ILE A 13 17.049 1.273 -27.717 1.00 0.00 H new ATOM 0 HB ILE A 13 15.426 2.740 -25.592 1.00 0.00 H new ATOM 0 HG12 ILE A 13 16.219 -0.091 -25.158 1.00 0.00 H new ATOM 0 HG13 ILE A 13 17.578 1.015 -25.170 1.00 0.00 H new ATOM 0 HG21 ILE A 13 13.896 0.807 -25.842 1.00 0.00 H new ATOM 0 HG22 ILE A 13 14.076 1.683 -27.380 1.00 0.00 H new ATOM 0 HG23 ILE A 13 14.938 0.147 -27.124 1.00 0.00 H new ATOM 0 HD11 ILE A 13 16.639 0.806 -22.883 1.00 0.00 H new ATOM 0 HD12 ILE A 13 16.430 2.464 -23.493 1.00 0.00 H new ATOM 0 HD13 ILE A 13 15.050 1.341 -23.480 1.00 0.00 H new ATOM 742 N ASN A 14 15.531 2.653 -29.272 1.00 0.00 N ATOM 743 CA ASN A 14 14.866 3.568 -30.245 1.00 0.00 C ATOM 744 C ASN A 14 13.472 3.031 -30.596 1.00 0.00 C ATOM 745 O ASN A 14 13.105 2.943 -31.767 1.00 0.00 O ATOM 746 CB ASN A 14 15.715 3.665 -31.511 1.00 0.00 C ATOM 747 CG ASN A 14 15.084 4.674 -32.476 1.00 0.00 C ATOM 748 OD1 ASN A 14 15.154 5.880 -32.245 1.00 0.00 O ATOM 749 ND2 ASN A 14 14.469 4.254 -33.555 1.00 0.00 N ATOM 0 H ASN A 14 15.527 1.666 -29.528 1.00 0.00 H new ATOM 0 HA ASN A 14 14.764 4.557 -29.799 1.00 0.00 H new ATOM 0 HB2 ASN A 14 16.729 3.974 -31.258 1.00 0.00 H new ATOM 0 HB3 ASN A 14 15.789 2.687 -31.988 1.00 0.00 H new ATOM 0 HD21 ASN A 14 14.051 4.926 -34.198 1.00 0.00 H new ATOM 0 HD22 ASN A 14 14.408 3.255 -33.751 1.00 0.00 H new ATOM 750 N ASN A 15 12.680 2.678 -29.609 1.00 0.00 N ATOM 751 CA ASN A 15 11.312 2.160 -29.900 1.00 0.00 C ATOM 752 C ASN A 15 10.361 2.586 -28.772 1.00 0.00 C ATOM 753 O ASN A 15 9.586 1.779 -28.262 1.00 0.00 O ATOM 754 CB ASN A 15 11.350 0.633 -29.992 1.00 0.00 C ATOM 755 CG ASN A 15 10.252 0.154 -30.950 1.00 0.00 C ATOM 756 OD1 ASN A 15 9.079 0.124 -30.585 1.00 0.00 O ATOM 757 ND2 ASN A 15 10.563 -0.229 -32.164 1.00 0.00 N ATOM 0 H ASN A 15 12.924 2.728 -28.620 1.00 0.00 H new ATOM 0 HA ASN A 15 10.960 2.567 -30.848 1.00 0.00 H new ATOM 0 HB2 ASN A 15 12.327 0.303 -30.346 1.00 0.00 H new ATOM 0 HB3 ASN A 15 11.204 0.194 -29.005 1.00 0.00 H new ATOM 0 HD21 ASN A 15 9.833 -0.550 -32.800 1.00 0.00 H new ATOM 0 HD22 ASN A 15 11.535 -0.206 -32.473 1.00 0.00 H new ATOM 758 N LEU A 16 10.407 3.838 -28.364 1.00 0.00 N ATOM 759 CA LEU A 16 9.505 4.292 -27.264 1.00 0.00 C ATOM 760 C LEU A 16 8.219 4.881 -27.864 1.00 0.00 C ATOM 761 O LEU A 16 8.061 4.941 -29.082 1.00 0.00 O ATOM 762 CB LEU A 16 10.216 5.364 -26.421 1.00 0.00 C ATOM 763 CG LEU A 16 11.180 4.708 -25.419 1.00 0.00 C ATOM 764 CD1 LEU A 16 10.403 3.798 -24.464 1.00 0.00 C ATOM 765 CD2 LEU A 16 12.232 3.884 -26.170 1.00 0.00 C ATOM 0 H LEU A 16 11.026 4.554 -28.745 1.00 0.00 H new ATOM 0 HA LEU A 16 9.254 3.442 -26.630 1.00 0.00 H new ATOM 0 HB2 LEU A 16 10.766 6.042 -27.073 1.00 0.00 H new ATOM 0 HB3 LEU A 16 9.479 5.963 -25.887 1.00 0.00 H new ATOM 0 HG LEU A 16 11.677 5.490 -24.845 1.00 0.00 H new ATOM 0 HD11 LEU A 16 11.094 3.337 -23.758 1.00 0.00 H new ATOM 0 HD12 LEU A 16 9.666 4.387 -23.919 1.00 0.00 H new ATOM 0 HD13 LEU A 16 9.895 3.020 -25.035 1.00 0.00 H new ATOM 0 HD21 LEU A 16 12.912 3.422 -25.454 1.00 0.00 H new ATOM 0 HD22 LEU A 16 11.737 3.108 -26.754 1.00 0.00 H new ATOM 0 HD23 LEU A 16 12.796 4.536 -26.837 1.00 0.00 H new ATOM 766 N ASN A 17 7.295 5.320 -27.037 1.00 0.00 N ATOM 767 CA ASN A 17 6.032 5.901 -27.567 1.00 0.00 C ATOM 768 C ASN A 17 6.102 7.424 -27.475 1.00 0.00 C ATOM 769 O ASN A 17 6.956 7.977 -26.784 1.00 0.00 O ATOM 770 CB ASN A 17 4.849 5.392 -26.742 1.00 0.00 C ATOM 771 CG ASN A 17 4.397 4.029 -27.281 1.00 0.00 C ATOM 772 OD1 ASN A 17 4.619 3.718 -28.449 1.00 0.00 O ATOM 773 ND2 ASN A 17 3.771 3.189 -26.493 1.00 0.00 N ATOM 0 H ASN A 17 7.368 5.298 -26.020 1.00 0.00 H new ATOM 0 HA ASN A 17 5.900 5.603 -28.607 1.00 0.00 H new ATOM 0 HB2 ASN A 17 5.134 5.304 -25.694 1.00 0.00 H new ATOM 0 HB3 ASN A 17 4.026 6.105 -26.789 1.00 0.00 H new ATOM 0 HD21 ASN A 17 3.471 2.282 -26.850 1.00 0.00 H new ATOM 0 HD22 ASN A 17 3.584 3.442 -25.523 1.00 0.00 H new ATOM 774 N GLU A 18 5.225 8.116 -28.158 1.00 0.00 N ATOM 775 CA GLU A 18 5.253 9.607 -28.106 1.00 0.00 C ATOM 776 C GLU A 18 4.229 10.113 -27.075 1.00 0.00 C ATOM 777 O GLU A 18 3.442 11.015 -27.358 1.00 0.00 O ATOM 778 CB GLU A 18 4.912 10.169 -29.486 1.00 0.00 C ATOM 779 CG GLU A 18 5.842 9.548 -30.534 1.00 0.00 C ATOM 780 CD GLU A 18 5.787 10.367 -31.826 1.00 0.00 C ATOM 781 OE1 GLU A 18 4.691 10.662 -32.274 1.00 0.00 O ATOM 782 OE2 GLU A 18 6.844 10.684 -32.347 1.00 0.00 O ATOM 0 H GLU A 18 4.495 7.714 -28.746 1.00 0.00 H new ATOM 0 HA GLU A 18 6.249 9.939 -27.812 1.00 0.00 H new ATOM 0 HB2 GLU A 18 3.873 9.952 -29.732 1.00 0.00 H new ATOM 0 HB3 GLU A 18 5.020 11.254 -29.486 1.00 0.00 H new ATOM 0 HG2 GLU A 18 6.863 9.518 -30.155 1.00 0.00 H new ATOM 0 HG3 GLU A 18 5.545 8.518 -30.732 1.00 0.00 H new ATOM 783 N LYS A 19 4.219 9.556 -25.881 1.00 0.00 N ATOM 784 CA LYS A 19 3.247 10.013 -24.849 1.00 0.00 C ATOM 785 C LYS A 19 3.817 9.751 -23.441 1.00 0.00 C ATOM 786 O LYS A 19 3.085 9.375 -22.527 1.00 0.00 O ATOM 787 CB LYS A 19 1.938 9.245 -25.027 1.00 0.00 C ATOM 788 CG LYS A 19 2.199 7.739 -24.915 1.00 0.00 C ATOM 789 CD LYS A 19 0.991 7.059 -24.267 1.00 0.00 C ATOM 790 CE LYS A 19 1.464 5.891 -23.399 1.00 0.00 C ATOM 791 NZ LYS A 19 0.534 5.720 -22.247 1.00 0.00 N ATOM 0 H LYS A 19 4.844 8.806 -25.585 1.00 0.00 H new ATOM 0 HA LYS A 19 3.066 11.082 -24.963 1.00 0.00 H new ATOM 0 HB2 LYS A 19 1.218 9.556 -24.270 1.00 0.00 H new ATOM 0 HB3 LYS A 19 1.500 9.476 -25.998 1.00 0.00 H new ATOM 0 HG2 LYS A 19 2.381 7.316 -25.903 1.00 0.00 H new ATOM 0 HG3 LYS A 19 3.094 7.557 -24.320 1.00 0.00 H new ATOM 0 HD2 LYS A 19 0.439 7.777 -23.660 1.00 0.00 H new ATOM 0 HD3 LYS A 19 0.307 6.700 -25.036 1.00 0.00 H new ATOM 0 HE2 LYS A 19 1.500 4.976 -23.990 1.00 0.00 H new ATOM 0 HE3 LYS A 19 2.476 6.078 -23.039 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 0.855 4.926 -21.657 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 0.521 6.591 -21.679 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -0.424 5.523 -22.601 1.00 0.00 H new ATOM 792 N ILE A 20 5.106 9.935 -23.246 1.00 0.00 N ATOM 793 CA ILE A 20 5.700 9.688 -21.899 1.00 0.00 C ATOM 794 C ILE A 20 5.710 10.992 -21.099 1.00 0.00 C ATOM 795 O ILE A 20 5.641 12.080 -21.669 1.00 0.00 O ATOM 796 CB ILE A 20 7.142 9.166 -22.032 1.00 0.00 C ATOM 797 CG1 ILE A 20 7.250 8.121 -23.159 1.00 0.00 C ATOM 798 CG2 ILE A 20 7.561 8.523 -20.712 1.00 0.00 C ATOM 799 CD1 ILE A 20 6.250 6.985 -22.930 1.00 0.00 C ATOM 0 H ILE A 20 5.765 10.244 -23.961 1.00 0.00 H new ATOM 0 HA ILE A 20 5.098 8.939 -21.385 1.00 0.00 H new ATOM 0 HB ILE A 20 7.795 10.004 -22.274 1.00 0.00 H new ATOM 0 HG12 ILE A 20 7.058 8.594 -24.122 1.00 0.00 H new ATOM 0 HG13 ILE A 20 8.263 7.720 -23.197 1.00 0.00 H new ATOM 0 HG21 ILE A 20 8.582 8.150 -20.797 1.00 0.00 H new ATOM 0 HG22 ILE A 20 7.510 9.264 -19.914 1.00 0.00 H new ATOM 0 HG23 ILE A 20 6.890 7.695 -20.481 1.00 0.00 H new ATOM 0 HD11 ILE A 20 6.338 6.255 -23.734 1.00 0.00 H new ATOM 0 HD12 ILE A 20 6.461 6.501 -21.976 1.00 0.00 H new ATOM 0 HD13 ILE A 20 5.238 7.389 -22.916 1.00 0.00 H new ATOM 800 N LYS A 21 5.788 10.911 -19.789 1.00 0.00 N ATOM 801 CA LYS A 21 5.793 12.161 -18.978 1.00 0.00 C ATOM 802 C LYS A 21 7.223 12.546 -18.544 1.00 0.00 C ATOM 803 O LYS A 21 7.392 13.211 -17.533 1.00 0.00 O ATOM 804 CB LYS A 21 4.919 11.967 -17.735 1.00 0.00 C ATOM 805 CG LYS A 21 4.195 13.275 -17.408 1.00 0.00 C ATOM 806 CD LYS A 21 3.064 13.501 -18.414 1.00 0.00 C ATOM 807 CE LYS A 21 1.911 14.240 -17.730 1.00 0.00 C ATOM 808 NZ LYS A 21 2.254 15.684 -17.599 1.00 0.00 N ATOM 0 H LYS A 21 5.847 10.043 -19.257 1.00 0.00 H new ATOM 0 HA LYS A 21 5.396 12.967 -19.595 1.00 0.00 H new ATOM 0 HB2 LYS A 21 4.194 11.172 -17.908 1.00 0.00 H new ATOM 0 HB3 LYS A 21 5.534 11.659 -16.890 1.00 0.00 H new ATOM 0 HG2 LYS A 21 3.793 13.236 -16.396 1.00 0.00 H new ATOM 0 HG3 LYS A 21 4.896 14.109 -17.441 1.00 0.00 H new ATOM 0 HD2 LYS A 21 3.428 14.080 -19.263 1.00 0.00 H new ATOM 0 HD3 LYS A 21 2.716 12.545 -18.806 1.00 0.00 H new ATOM 0 HE2 LYS A 21 0.996 14.124 -18.310 1.00 0.00 H new ATOM 0 HE3 LYS A 21 1.722 13.810 -16.747 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 1.471 16.186 -17.134 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 3.117 15.785 -17.028 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 2.414 16.090 -18.543 1.00 0.00 H new ATOM 809 N LYS A 22 8.241 12.175 -19.302 1.00 0.00 N ATOM 810 CA LYS A 22 9.659 12.543 -18.958 1.00 0.00 C ATOM 811 C LYS A 22 10.139 11.868 -17.657 1.00 0.00 C ATOM 812 O LYS A 22 10.791 10.827 -17.711 1.00 0.00 O ATOM 813 CB LYS A 22 9.794 14.067 -18.858 1.00 0.00 C ATOM 814 CG LYS A 22 10.253 14.630 -20.205 1.00 0.00 C ATOM 815 CD LYS A 22 10.008 16.139 -20.237 1.00 0.00 C ATOM 816 CE LYS A 22 11.273 16.868 -19.780 1.00 0.00 C ATOM 817 NZ LYS A 22 11.250 18.268 -20.288 1.00 0.00 N ATOM 0 H LYS A 22 8.144 11.625 -20.156 1.00 0.00 H new ATOM 0 HA LYS A 22 10.299 12.175 -19.760 1.00 0.00 H new ATOM 0 HB2 LYS A 22 8.839 14.509 -18.574 1.00 0.00 H new ATOM 0 HB3 LYS A 22 10.511 14.329 -18.080 1.00 0.00 H new ATOM 0 HG2 LYS A 22 11.312 14.419 -20.358 1.00 0.00 H new ATOM 0 HG3 LYS A 22 9.711 14.146 -21.017 1.00 0.00 H new ATOM 0 HD2 LYS A 22 9.738 16.454 -21.245 1.00 0.00 H new ATOM 0 HD3 LYS A 22 9.171 16.397 -19.587 1.00 0.00 H new ATOM 0 HE2 LYS A 22 11.334 16.866 -18.692 1.00 0.00 H new ATOM 0 HE3 LYS A 22 12.158 16.350 -20.150 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 12.110 18.764 -19.978 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 11.211 18.260 -21.327 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 10.413 18.759 -19.914 1.00 0.00 H new ATOM 818 N ASP A 23 9.851 12.412 -16.489 1.00 0.00 N ATOM 819 CA ASP A 23 10.312 11.751 -15.230 1.00 0.00 C ATOM 820 C ASP A 23 9.790 10.312 -15.207 1.00 0.00 C ATOM 821 O ASP A 23 10.402 9.438 -14.598 1.00 0.00 O ATOM 822 CB ASP A 23 9.784 12.500 -13.998 1.00 0.00 C ATOM 823 CG ASP A 23 10.737 13.644 -13.645 1.00 0.00 C ATOM 824 OD1 ASP A 23 10.750 14.622 -14.374 1.00 0.00 O ATOM 825 OD2 ASP A 23 11.437 13.521 -12.654 1.00 0.00 O ATOM 0 H ASP A 23 9.323 13.275 -16.361 1.00 0.00 H new ATOM 0 HA ASP A 23 11.402 11.762 -15.203 1.00 0.00 H new ATOM 0 HB2 ASP A 23 8.787 12.893 -14.198 1.00 0.00 H new ATOM 0 HB3 ASP A 23 9.694 11.815 -13.155 1.00 0.00 H new ATOM 826 N GLU A 24 8.669 10.036 -15.852 1.00 0.00 N ATOM 827 CA GLU A 24 8.151 8.645 -15.840 1.00 0.00 C ATOM 828 C GLU A 24 9.131 7.726 -16.583 1.00 0.00 C ATOM 829 O GLU A 24 9.447 6.635 -16.110 1.00 0.00 O ATOM 830 CB GLU A 24 6.770 8.571 -16.507 1.00 0.00 C ATOM 831 CG GLU A 24 5.717 9.174 -15.573 1.00 0.00 C ATOM 832 CD GLU A 24 5.037 8.056 -14.781 1.00 0.00 C ATOM 833 OE1 GLU A 24 4.163 7.411 -15.336 1.00 0.00 O ATOM 834 OE2 GLU A 24 5.402 7.864 -13.633 1.00 0.00 O ATOM 0 H GLU A 24 8.109 10.710 -16.374 1.00 0.00 H new ATOM 0 HA GLU A 24 8.053 8.320 -14.804 1.00 0.00 H new ATOM 0 HB2 GLU A 24 6.783 9.110 -17.454 1.00 0.00 H new ATOM 0 HB3 GLU A 24 6.519 7.535 -16.734 1.00 0.00 H new ATOM 0 HG2 GLU A 24 6.184 9.885 -14.891 1.00 0.00 H new ATOM 0 HG3 GLU A 24 4.977 9.727 -16.151 1.00 0.00 H new ATOM 835 N LEU A 25 9.623 8.133 -17.737 1.00 0.00 N ATOM 836 CA LEU A 25 10.584 7.249 -18.480 1.00 0.00 C ATOM 837 C LEU A 25 11.922 7.113 -17.725 1.00 0.00 C ATOM 838 O LEU A 25 12.700 6.208 -18.019 1.00 0.00 O ATOM 839 CB LEU A 25 10.852 7.807 -19.882 1.00 0.00 C ATOM 840 CG LEU A 25 11.107 6.649 -20.850 1.00 0.00 C ATOM 841 CD1 LEU A 25 9.833 5.804 -21.004 1.00 0.00 C ATOM 842 CD2 LEU A 25 11.521 7.213 -22.212 1.00 0.00 C ATOM 0 H LEU A 25 9.405 9.022 -18.188 1.00 0.00 H new ATOM 0 HA LEU A 25 10.125 6.264 -18.559 1.00 0.00 H new ATOM 0 HB2 LEU A 25 10.000 8.397 -20.220 1.00 0.00 H new ATOM 0 HB3 LEU A 25 11.713 8.475 -19.861 1.00 0.00 H new ATOM 0 HG LEU A 25 11.904 6.017 -20.457 1.00 0.00 H new ATOM 0 HD11 LEU A 25 10.023 4.982 -21.694 1.00 0.00 H new ATOM 0 HD12 LEU A 25 9.543 5.403 -20.033 1.00 0.00 H new ATOM 0 HD13 LEU A 25 9.028 6.427 -21.394 1.00 0.00 H new ATOM 0 HD21 LEU A 25 11.704 6.392 -22.905 1.00 0.00 H new ATOM 0 HD22 LEU A 25 10.724 7.846 -22.601 1.00 0.00 H new ATOM 0 HD23 LEU A 25 12.431 7.803 -22.100 1.00 0.00 H new ATOM 843 N LYS A 26 12.222 7.967 -16.767 1.00 0.00 N ATOM 844 CA LYS A 26 13.517 7.823 -16.031 1.00 0.00 C ATOM 845 C LYS A 26 13.354 6.804 -14.887 1.00 0.00 C ATOM 846 O LYS A 26 14.288 6.069 -14.568 1.00 0.00 O ATOM 847 CB LYS A 26 13.950 9.175 -15.453 1.00 0.00 C ATOM 848 CG LYS A 26 14.961 9.836 -16.394 1.00 0.00 C ATOM 849 CD LYS A 26 15.120 11.311 -16.020 1.00 0.00 C ATOM 850 CE LYS A 26 16.213 11.455 -14.959 1.00 0.00 C ATOM 851 NZ LYS A 26 15.591 11.486 -13.606 1.00 0.00 N ATOM 0 H LYS A 26 11.633 8.745 -16.470 1.00 0.00 H new ATOM 0 HA LYS A 26 14.280 7.472 -16.726 1.00 0.00 H new ATOM 0 HB2 LYS A 26 13.082 9.821 -15.324 1.00 0.00 H new ATOM 0 HB3 LYS A 26 14.393 9.035 -14.467 1.00 0.00 H new ATOM 0 HG2 LYS A 26 15.923 9.327 -16.327 1.00 0.00 H new ATOM 0 HG3 LYS A 26 14.625 9.746 -17.427 1.00 0.00 H new ATOM 0 HD2 LYS A 26 15.377 11.895 -16.904 1.00 0.00 H new ATOM 0 HD3 LYS A 26 14.177 11.705 -15.641 1.00 0.00 H new ATOM 0 HE2 LYS A 26 16.915 10.624 -15.029 1.00 0.00 H new ATOM 0 HE3 LYS A 26 16.783 12.368 -15.130 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 16.187 12.046 -12.963 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 14.647 11.918 -13.668 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 15.505 10.516 -13.241 1.00 0.00 H new ATOM 852 N LYS A 27 12.195 6.734 -14.260 1.00 0.00 N ATOM 853 CA LYS A 27 12.010 5.750 -13.147 1.00 0.00 C ATOM 854 C LYS A 27 11.944 4.325 -13.717 1.00 0.00 C ATOM 855 O LYS A 27 12.442 3.383 -13.103 1.00 0.00 O ATOM 856 CB LYS A 27 10.715 6.048 -12.381 1.00 0.00 C ATOM 857 CG LYS A 27 10.823 7.417 -11.704 1.00 0.00 C ATOM 858 CD LYS A 27 11.328 7.237 -10.271 1.00 0.00 C ATOM 859 CE LYS A 27 11.302 8.586 -9.548 1.00 0.00 C ATOM 860 NZ LYS A 27 9.999 8.745 -8.842 1.00 0.00 N ATOM 0 H LYS A 27 11.381 7.311 -14.472 1.00 0.00 H new ATOM 0 HA LYS A 27 12.856 5.834 -12.465 1.00 0.00 H new ATOM 0 HB2 LYS A 27 9.865 6.035 -13.064 1.00 0.00 H new ATOM 0 HB3 LYS A 27 10.536 5.275 -11.634 1.00 0.00 H new ATOM 0 HG2 LYS A 27 11.504 8.059 -12.263 1.00 0.00 H new ATOM 0 HG3 LYS A 27 9.851 7.910 -11.700 1.00 0.00 H new ATOM 0 HD2 LYS A 27 10.704 6.517 -9.742 1.00 0.00 H new ATOM 0 HD3 LYS A 27 12.341 6.836 -10.279 1.00 0.00 H new ATOM 0 HE2 LYS A 27 12.124 8.644 -8.835 1.00 0.00 H new ATOM 0 HE3 LYS A 27 11.442 9.397 -10.263 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 9.980 9.661 -8.350 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 9.223 8.707 -9.533 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 9.884 7.978 -8.149 1.00 0.00 H new ATOM 861 N SER A 28 11.341 4.134 -14.876 1.00 0.00 N ATOM 862 CA SER A 28 11.267 2.753 -15.447 1.00 0.00 C ATOM 863 C SER A 28 12.625 2.375 -16.055 1.00 0.00 C ATOM 864 O SER A 28 13.083 1.245 -15.913 1.00 0.00 O ATOM 865 CB SER A 28 10.188 2.683 -16.534 1.00 0.00 C ATOM 866 OG SER A 28 8.922 2.979 -15.960 1.00 0.00 O ATOM 0 H SER A 28 10.906 4.865 -15.438 1.00 0.00 H new ATOM 0 HA SER A 28 11.013 2.056 -14.648 1.00 0.00 H new ATOM 0 HB2 SER A 28 10.413 3.391 -17.332 1.00 0.00 H new ATOM 0 HB3 SER A 28 10.173 1.690 -16.984 1.00 0.00 H new ATOM 0 HG SER A 28 8.231 2.937 -16.653 1.00 0.00 H new ATOM 867 N LEU A 29 13.282 3.292 -16.733 1.00 0.00 N ATOM 868 CA LEU A 29 14.611 2.960 -17.348 1.00 0.00 C ATOM 869 C LEU A 29 15.640 2.595 -16.263 1.00 0.00 C ATOM 870 O LEU A 29 16.551 1.807 -16.512 1.00 0.00 O ATOM 871 CB LEU A 29 15.136 4.157 -18.153 1.00 0.00 C ATOM 872 CG LEU A 29 14.524 4.138 -19.553 1.00 0.00 C ATOM 873 CD1 LEU A 29 14.721 5.505 -20.210 1.00 0.00 C ATOM 874 CD2 LEU A 29 15.216 3.064 -20.395 1.00 0.00 C ATOM 0 H LEU A 29 12.959 4.247 -16.886 1.00 0.00 H new ATOM 0 HA LEU A 29 14.471 2.105 -18.009 1.00 0.00 H new ATOM 0 HB2 LEU A 29 14.883 5.088 -17.647 1.00 0.00 H new ATOM 0 HB3 LEU A 29 16.223 4.115 -18.219 1.00 0.00 H new ATOM 0 HG LEU A 29 13.459 3.916 -19.484 1.00 0.00 H new ATOM 0 HD11 LEU A 29 14.285 5.495 -21.209 1.00 0.00 H new ATOM 0 HD12 LEU A 29 14.232 6.271 -19.609 1.00 0.00 H new ATOM 0 HD13 LEU A 29 15.786 5.724 -20.281 1.00 0.00 H new ATOM 0 HD21 LEU A 29 14.781 3.049 -21.394 1.00 0.00 H new ATOM 0 HD22 LEU A 29 16.281 3.287 -20.466 1.00 0.00 H new ATOM 0 HD23 LEU A 29 15.080 2.090 -19.925 1.00 0.00 H new ATOM 875 N HIS A 30 15.535 3.148 -15.073 1.00 0.00 N ATOM 876 CA HIS A 30 16.538 2.812 -14.010 1.00 0.00 C ATOM 877 C HIS A 30 16.301 1.385 -13.495 1.00 0.00 C ATOM 878 O HIS A 30 17.249 0.642 -13.262 1.00 0.00 O ATOM 879 CB HIS A 30 16.425 3.800 -12.841 1.00 0.00 C ATOM 880 CG HIS A 30 17.724 3.836 -12.082 1.00 0.00 C ATOM 881 ND1 HIS A 30 17.919 3.111 -10.917 1.00 0.00 N ATOM 882 CD2 HIS A 30 18.898 4.509 -12.307 1.00 0.00 C ATOM 883 CE1 HIS A 30 19.170 3.364 -10.488 1.00 0.00 C ATOM 884 NE2 HIS A 30 19.811 4.209 -11.299 1.00 0.00 N ATOM 0 H HIS A 30 14.808 3.808 -14.796 1.00 0.00 H new ATOM 0 HA HIS A 30 17.536 2.881 -14.442 1.00 0.00 H new ATOM 0 HB2 HIS A 30 16.183 4.795 -13.215 1.00 0.00 H new ATOM 0 HB3 HIS A 30 15.613 3.503 -12.178 1.00 0.00 H new ATOM 0 HD1 HIS A 30 17.239 2.498 -10.467 1.00 0.00 H new ATOM 0 HD2 HIS A 30 19.086 5.171 -13.139 1.00 0.00 H new ATOM 0 HE1 HIS A 30 19.602 2.935 -9.596 1.00 0.00 H new ATOM 885 N ALA A 31 15.065 0.988 -13.302 1.00 0.00 N ATOM 886 CA ALA A 31 14.801 -0.398 -12.786 1.00 0.00 C ATOM 887 C ALA A 31 15.327 -1.445 -13.784 1.00 0.00 C ATOM 888 O ALA A 31 16.042 -2.371 -13.405 1.00 0.00 O ATOM 889 CB ALA A 31 13.295 -0.613 -12.582 1.00 0.00 C ATOM 0 H ALA A 31 14.235 1.555 -13.476 1.00 0.00 H new ATOM 0 HA ALA A 31 15.316 -0.512 -11.832 1.00 0.00 H new ATOM 0 HB1 ALA A 31 13.119 -1.622 -12.208 1.00 0.00 H new ATOM 0 HB2 ALA A 31 12.918 0.112 -11.861 1.00 0.00 H new ATOM 0 HB3 ALA A 31 12.777 -0.483 -13.532 1.00 0.00 H new ATOM 890 N ILE A 32 14.975 -1.336 -15.046 1.00 0.00 N ATOM 891 CA ILE A 32 15.441 -2.339 -16.044 1.00 0.00 C ATOM 892 C ILE A 32 16.978 -2.416 -16.056 1.00 0.00 C ATOM 893 O ILE A 32 17.551 -3.502 -15.988 1.00 0.00 O ATOM 894 CB ILE A 32 14.951 -2.015 -17.480 1.00 0.00 C ATOM 895 CG1 ILE A 32 14.598 -0.533 -17.701 1.00 0.00 C ATOM 896 CG2 ILE A 32 13.724 -2.865 -17.810 1.00 0.00 C ATOM 897 CD1 ILE A 32 14.661 -0.203 -19.194 1.00 0.00 C ATOM 0 H ILE A 32 14.385 -0.594 -15.422 1.00 0.00 H new ATOM 0 HA ILE A 32 15.015 -3.296 -15.741 1.00 0.00 H new ATOM 0 HB ILE A 32 15.787 -2.246 -18.141 1.00 0.00 H new ATOM 0 HG12 ILE A 32 13.600 -0.326 -17.315 1.00 0.00 H new ATOM 0 HG13 ILE A 32 15.291 0.102 -17.149 1.00 0.00 H new ATOM 0 HG21 ILE A 32 13.383 -2.635 -18.819 1.00 0.00 H new ATOM 0 HG22 ILE A 32 13.986 -3.921 -17.748 1.00 0.00 H new ATOM 0 HG23 ILE A 32 12.928 -2.646 -17.099 1.00 0.00 H new ATOM 0 HD11 ILE A 32 14.410 0.847 -19.345 1.00 0.00 H new ATOM 0 HD12 ILE A 32 15.668 -0.393 -19.567 1.00 0.00 H new ATOM 0 HD13 ILE A 32 13.950 -0.827 -19.735 1.00 0.00 H new ATOM 898 N PHE A 33 17.657 -1.300 -16.174 1.00 0.00 N ATOM 899 CA PHE A 33 19.155 -1.341 -16.229 1.00 0.00 C ATOM 900 C PHE A 33 19.784 -1.075 -14.847 1.00 0.00 C ATOM 901 O PHE A 33 20.832 -0.437 -14.754 1.00 0.00 O ATOM 902 CB PHE A 33 19.651 -0.284 -17.218 1.00 0.00 C ATOM 903 CG PHE A 33 19.034 -0.535 -18.572 1.00 0.00 C ATOM 904 CD1 PHE A 33 19.133 -1.801 -19.165 1.00 0.00 C ATOM 905 CD2 PHE A 33 18.361 0.497 -19.238 1.00 0.00 C ATOM 906 CE1 PHE A 33 18.560 -2.034 -20.420 1.00 0.00 C ATOM 907 CE2 PHE A 33 17.789 0.263 -20.493 1.00 0.00 C ATOM 908 CZ PHE A 33 17.887 -1.001 -21.084 1.00 0.00 C ATOM 0 H PHE A 33 17.244 -0.369 -16.234 1.00 0.00 H new ATOM 0 HA PHE A 33 19.454 -2.339 -16.550 1.00 0.00 H new ATOM 0 HB2 PHE A 33 19.387 0.713 -16.865 1.00 0.00 H new ATOM 0 HB3 PHE A 33 20.738 -0.319 -17.289 1.00 0.00 H new ATOM 0 HD1 PHE A 33 19.652 -2.598 -18.653 1.00 0.00 H new ATOM 0 HD2 PHE A 33 18.284 1.473 -18.783 1.00 0.00 H new ATOM 0 HE1 PHE A 33 18.637 -3.010 -20.876 1.00 0.00 H new ATOM 0 HE2 PHE A 33 17.271 1.060 -21.006 1.00 0.00 H new ATOM 0 HZ PHE A 33 17.444 -1.180 -22.052 1.00 0.00 H new ATOM 909 N SER A 34 19.191 -1.551 -13.775 1.00 0.00 N ATOM 910 CA SER A 34 19.793 -1.316 -12.425 1.00 0.00 C ATOM 911 C SER A 34 20.324 -2.642 -11.847 1.00 0.00 C ATOM 912 O SER A 34 21.460 -2.713 -11.383 1.00 0.00 O ATOM 913 CB SER A 34 18.737 -0.738 -11.483 1.00 0.00 C ATOM 914 OG SER A 34 19.038 -1.117 -10.146 1.00 0.00 O ATOM 0 H SER A 34 18.323 -2.087 -13.778 1.00 0.00 H new ATOM 0 HA SER A 34 20.618 -0.611 -12.524 1.00 0.00 H new ATOM 0 HB2 SER A 34 18.714 0.348 -11.568 1.00 0.00 H new ATOM 0 HB3 SER A 34 17.748 -1.101 -11.762 1.00 0.00 H new ATOM 0 HG SER A 34 18.363 -0.746 -9.541 1.00 0.00 H new ATOM 915 N ARG A 35 19.532 -3.696 -11.855 1.00 0.00 N ATOM 916 CA ARG A 35 20.011 -5.007 -11.293 1.00 0.00 C ATOM 917 C ARG A 35 21.411 -5.376 -11.831 1.00 0.00 C ATOM 918 O ARG A 35 22.165 -6.076 -11.157 1.00 0.00 O ATOM 919 CB ARG A 35 19.030 -6.129 -11.663 1.00 0.00 C ATOM 920 CG ARG A 35 18.890 -6.205 -13.185 1.00 0.00 C ATOM 921 CD ARG A 35 17.479 -6.671 -13.545 1.00 0.00 C ATOM 922 NE ARG A 35 17.467 -8.154 -13.687 1.00 0.00 N ATOM 923 CZ ARG A 35 16.869 -8.891 -12.790 1.00 0.00 C ATOM 924 NH1 ARG A 35 15.594 -9.149 -12.902 1.00 0.00 N ATOM 925 NH2 ARG A 35 17.544 -9.369 -11.782 1.00 0.00 N ATOM 0 H ARG A 35 18.581 -3.705 -12.224 1.00 0.00 H new ATOM 0 HA ARG A 35 20.068 -4.896 -10.210 1.00 0.00 H new ATOM 0 HB2 ARG A 35 19.387 -7.082 -11.272 1.00 0.00 H new ATOM 0 HB3 ARG A 35 18.058 -5.941 -11.207 1.00 0.00 H new ATOM 0 HG2 ARG A 35 19.086 -5.229 -13.628 1.00 0.00 H new ATOM 0 HG3 ARG A 35 19.628 -6.895 -13.595 1.00 0.00 H new ATOM 0 HD2 ARG A 35 16.775 -6.363 -12.772 1.00 0.00 H new ATOM 0 HD3 ARG A 35 17.156 -6.203 -14.475 1.00 0.00 H new ATOM 0 HE ARG A 35 17.926 -8.594 -14.485 1.00 0.00 H new ATOM 0 HH11 ARG A 35 15.065 -8.775 -13.690 1.00 0.00 H new ATOM 0 HH12 ARG A 35 15.127 -9.725 -12.202 1.00 0.00 H new ATOM 0 HH21 ARG A 35 18.540 -9.167 -11.694 1.00 0.00 H new ATOM 0 HH22 ARG A 35 17.076 -9.945 -11.082 1.00 0.00 H new ATOM 926 N PHE A 36 21.778 -4.951 -13.027 1.00 0.00 N ATOM 927 CA PHE A 36 23.128 -5.321 -13.561 1.00 0.00 C ATOM 928 C PHE A 36 24.176 -4.251 -13.193 1.00 0.00 C ATOM 929 O PHE A 36 24.886 -3.744 -14.062 1.00 0.00 O ATOM 930 CB PHE A 36 23.065 -5.457 -15.088 1.00 0.00 C ATOM 931 CG PHE A 36 21.943 -6.391 -15.480 1.00 0.00 C ATOM 932 CD1 PHE A 36 21.817 -7.641 -14.860 1.00 0.00 C ATOM 933 CD2 PHE A 36 21.033 -6.007 -16.471 1.00 0.00 C ATOM 934 CE1 PHE A 36 20.779 -8.504 -15.232 1.00 0.00 C ATOM 935 CE2 PHE A 36 19.996 -6.869 -16.843 1.00 0.00 C ATOM 936 CZ PHE A 36 19.869 -8.118 -16.223 1.00 0.00 C ATOM 0 H PHE A 36 21.207 -4.373 -13.644 1.00 0.00 H new ATOM 0 HA PHE A 36 23.421 -6.271 -13.115 1.00 0.00 H new ATOM 0 HB2 PHE A 36 22.909 -4.478 -15.542 1.00 0.00 H new ATOM 0 HB3 PHE A 36 24.014 -5.837 -15.467 1.00 0.00 H new ATOM 0 HD1 PHE A 36 22.520 -7.939 -14.096 1.00 0.00 H new ATOM 0 HD2 PHE A 36 21.131 -5.044 -16.949 1.00 0.00 H new ATOM 0 HE1 PHE A 36 20.681 -9.468 -14.754 1.00 0.00 H new ATOM 0 HE2 PHE A 36 19.294 -6.571 -17.608 1.00 0.00 H new ATOM 0 HZ PHE A 36 19.068 -8.784 -16.510 1.00 0.00 H new ATOM 937 N GLY A 37 24.312 -3.905 -11.930 1.00 0.00 N ATOM 938 CA GLY A 37 25.338 -2.890 -11.545 1.00 0.00 C ATOM 939 C GLY A 37 24.661 -1.570 -11.149 1.00 0.00 C ATOM 940 O GLY A 37 23.502 -1.553 -10.742 1.00 0.00 O ATOM 0 H GLY A 37 23.760 -4.281 -11.159 1.00 0.00 H new ATOM 0 HA2 GLY A 37 25.935 -3.264 -10.713 1.00 0.00 H new ATOM 0 HA3 GLY A 37 26.022 -2.721 -12.377 1.00 0.00 H new ATOM 941 N GLN A 38 25.363 -0.462 -11.252 1.00 0.00 N ATOM 942 CA GLN A 38 24.752 0.845 -10.876 1.00 0.00 C ATOM 943 C GLN A 38 24.601 1.717 -12.127 1.00 0.00 C ATOM 944 O GLN A 38 25.380 1.604 -13.073 1.00 0.00 O ATOM 945 CB GLN A 38 25.653 1.558 -9.866 1.00 0.00 C ATOM 946 CG GLN A 38 24.894 2.736 -9.249 1.00 0.00 C ATOM 947 CD GLN A 38 25.422 3.005 -7.834 1.00 0.00 C ATOM 948 OE1 GLN A 38 24.884 2.484 -6.861 1.00 0.00 O ATOM 949 NE2 GLN A 38 26.453 3.796 -7.661 1.00 0.00 N ATOM 0 H GLN A 38 26.328 -0.412 -11.579 1.00 0.00 H new ATOM 0 HA GLN A 38 23.772 0.672 -10.431 1.00 0.00 H new ATOM 0 HB2 GLN A 38 25.964 0.863 -9.086 1.00 0.00 H new ATOM 0 HB3 GLN A 38 26.559 1.912 -10.357 1.00 0.00 H new ATOM 0 HG2 GLN A 38 25.016 3.625 -9.868 1.00 0.00 H new ATOM 0 HG3 GLN A 38 23.827 2.516 -9.214 1.00 0.00 H new ATOM 0 HE21 GLN A 38 26.903 4.231 -8.466 1.00 0.00 H new ATOM 0 HE22 GLN A 38 26.805 3.977 -6.721 1.00 0.00 H new ATOM 950 N ILE A 39 23.613 2.582 -12.161 1.00 0.00 N ATOM 951 CA ILE A 39 23.425 3.450 -13.359 1.00 0.00 C ATOM 952 C ILE A 39 23.943 4.864 -13.054 1.00 0.00 C ATOM 953 O ILE A 39 23.404 5.558 -12.194 1.00 0.00 O ATOM 954 CB ILE A 39 21.937 3.513 -13.711 1.00 0.00 C ATOM 955 CG1 ILE A 39 21.389 2.091 -13.862 1.00 0.00 C ATOM 956 CG2 ILE A 39 21.751 4.269 -15.026 1.00 0.00 C ATOM 957 CD1 ILE A 39 19.869 2.142 -14.030 1.00 0.00 C ATOM 0 H ILE A 39 22.934 2.721 -11.413 1.00 0.00 H new ATOM 0 HA ILE A 39 23.980 3.036 -14.201 1.00 0.00 H new ATOM 0 HB ILE A 39 21.400 4.031 -12.916 1.00 0.00 H new ATOM 0 HG12 ILE A 39 21.844 1.605 -14.725 1.00 0.00 H new ATOM 0 HG13 ILE A 39 21.649 1.496 -12.987 1.00 0.00 H new ATOM 0 HG21 ILE A 39 20.690 4.312 -15.274 1.00 0.00 H new ATOM 0 HG22 ILE A 39 22.141 5.282 -14.922 1.00 0.00 H new ATOM 0 HG23 ILE A 39 22.289 3.753 -15.821 1.00 0.00 H new ATOM 0 HD11 ILE A 39 19.481 1.129 -14.137 1.00 0.00 H new ATOM 0 HD12 ILE A 39 19.422 2.611 -13.154 1.00 0.00 H new ATOM 0 HD13 ILE A 39 19.620 2.722 -14.919 1.00 0.00 H new ATOM 958 N LEU A 40 24.979 5.311 -13.736 1.00 0.00 N ATOM 959 CA LEU A 40 25.510 6.686 -13.462 1.00 0.00 C ATOM 960 C LEU A 40 24.393 7.716 -13.670 1.00 0.00 C ATOM 961 O LEU A 40 24.225 8.634 -12.869 1.00 0.00 O ATOM 962 CB LEU A 40 26.681 7.011 -14.402 1.00 0.00 C ATOM 963 CG LEU A 40 27.862 6.083 -14.101 1.00 0.00 C ATOM 964 CD1 LEU A 40 28.991 6.356 -15.098 1.00 0.00 C ATOM 965 CD2 LEU A 40 28.371 6.340 -12.680 1.00 0.00 C ATOM 0 H LEU A 40 25.472 4.789 -14.460 1.00 0.00 H new ATOM 0 HA LEU A 40 25.865 6.724 -12.432 1.00 0.00 H new ATOM 0 HB2 LEU A 40 26.370 6.893 -15.440 1.00 0.00 H new ATOM 0 HB3 LEU A 40 26.983 8.051 -14.276 1.00 0.00 H new ATOM 0 HG LEU A 40 27.536 5.046 -14.188 1.00 0.00 H new ATOM 0 HD11 LEU A 40 29.832 5.696 -14.885 1.00 0.00 H new ATOM 0 HD12 LEU A 40 28.634 6.173 -16.111 1.00 0.00 H new ATOM 0 HD13 LEU A 40 29.312 7.394 -15.009 1.00 0.00 H new ATOM 0 HD21 LEU A 40 29.211 5.678 -12.469 1.00 0.00 H new ATOM 0 HD22 LEU A 40 28.695 7.377 -12.592 1.00 0.00 H new ATOM 0 HD23 LEU A 40 27.570 6.148 -11.966 1.00 0.00 H new ATOM 966 N ASP A 41 23.620 7.588 -14.726 1.00 0.00 N ATOM 967 CA ASP A 41 22.516 8.573 -14.963 1.00 0.00 C ATOM 968 C ASP A 41 21.729 8.215 -16.239 1.00 0.00 C ATOM 969 O ASP A 41 22.169 7.395 -17.045 1.00 0.00 O ATOM 970 CB ASP A 41 23.112 9.976 -15.116 1.00 0.00 C ATOM 971 CG ASP A 41 22.152 11.005 -14.517 1.00 0.00 C ATOM 972 OD1 ASP A 41 22.122 11.122 -13.303 1.00 0.00 O ATOM 973 OD2 ASP A 41 21.463 11.659 -15.282 1.00 0.00 O ATOM 0 H ASP A 41 23.705 6.852 -15.426 1.00 0.00 H new ATOM 0 HA ASP A 41 21.836 8.544 -14.112 1.00 0.00 H new ATOM 0 HB2 ASP A 41 24.078 10.029 -14.615 1.00 0.00 H new ATOM 0 HB3 ASP A 41 23.287 10.196 -16.169 1.00 0.00 H new ATOM 974 N ILE A 42 20.575 8.817 -16.441 1.00 0.00 N ATOM 975 CA ILE A 42 19.774 8.510 -17.662 1.00 0.00 C ATOM 976 C ILE A 42 19.317 9.827 -18.311 1.00 0.00 C ATOM 977 O ILE A 42 18.677 10.654 -17.664 1.00 0.00 O ATOM 978 CB ILE A 42 18.546 7.681 -17.271 1.00 0.00 C ATOM 979 CG1 ILE A 42 18.996 6.400 -16.566 1.00 0.00 C ATOM 980 CG2 ILE A 42 17.750 7.315 -18.526 1.00 0.00 C ATOM 981 CD1 ILE A 42 17.867 5.890 -15.667 1.00 0.00 C ATOM 0 H ILE A 42 20.160 9.504 -15.812 1.00 0.00 H new ATOM 0 HA ILE A 42 20.383 7.945 -18.368 1.00 0.00 H new ATOM 0 HB ILE A 42 17.917 8.266 -16.600 1.00 0.00 H new ATOM 0 HG12 ILE A 42 19.261 5.641 -17.302 1.00 0.00 H new ATOM 0 HG13 ILE A 42 19.889 6.593 -15.972 1.00 0.00 H new ATOM 0 HG21 ILE A 42 16.877 6.726 -18.244 1.00 0.00 H new ATOM 0 HG22 ILE A 42 17.426 8.226 -19.030 1.00 0.00 H new ATOM 0 HG23 ILE A 42 18.379 6.733 -19.199 1.00 0.00 H new ATOM 0 HD11 ILE A 42 18.186 4.977 -15.164 1.00 0.00 H new ATOM 0 HD12 ILE A 42 17.624 6.648 -14.923 1.00 0.00 H new ATOM 0 HD13 ILE A 42 16.986 5.681 -16.273 1.00 0.00 H new ATOM 982 N LEU A 43 19.631 10.046 -19.571 1.00 0.00 N ATOM 983 CA LEU A 43 19.208 11.316 -20.231 1.00 0.00 C ATOM 984 C LEU A 43 17.953 11.066 -21.084 1.00 0.00 C ATOM 985 O LEU A 43 17.879 10.089 -21.829 1.00 0.00 O ATOM 986 CB LEU A 43 20.338 11.829 -21.129 1.00 0.00 C ATOM 987 CG LEU A 43 21.570 12.160 -20.275 1.00 0.00 C ATOM 988 CD1 LEU A 43 22.609 11.044 -20.411 1.00 0.00 C ATOM 989 CD2 LEU A 43 22.183 13.482 -20.750 1.00 0.00 C ATOM 0 H LEU A 43 20.158 9.402 -20.162 1.00 0.00 H new ATOM 0 HA LEU A 43 18.983 12.059 -19.466 1.00 0.00 H new ATOM 0 HB2 LEU A 43 20.593 11.076 -21.875 1.00 0.00 H new ATOM 0 HB3 LEU A 43 20.010 12.716 -21.671 1.00 0.00 H new ATOM 0 HG LEU A 43 21.268 12.250 -19.231 1.00 0.00 H new ATOM 0 HD11 LEU A 43 23.482 11.283 -19.803 1.00 0.00 H new ATOM 0 HD12 LEU A 43 22.178 10.102 -20.072 1.00 0.00 H new ATOM 0 HD13 LEU A 43 22.908 10.951 -21.455 1.00 0.00 H new ATOM 0 HD21 LEU A 43 23.058 13.716 -20.143 1.00 0.00 H new ATOM 0 HD22 LEU A 43 22.480 13.391 -21.795 1.00 0.00 H new ATOM 0 HD23 LEU A 43 21.448 14.281 -20.650 1.00 0.00 H new ATOM 990 N VAL A 44 16.965 11.933 -20.997 1.00 0.00 N ATOM 991 CA VAL A 44 15.727 11.742 -21.810 1.00 0.00 C ATOM 992 C VAL A 44 15.321 13.095 -22.416 1.00 0.00 C ATOM 993 O VAL A 44 15.745 14.147 -21.938 1.00 0.00 O ATOM 994 CB VAL A 44 14.589 11.223 -20.920 1.00 0.00 C ATOM 995 CG1 VAL A 44 13.438 10.725 -21.795 1.00 0.00 C ATOM 996 CG2 VAL A 44 15.090 10.067 -20.047 1.00 0.00 C ATOM 0 H VAL A 44 16.968 12.759 -20.399 1.00 0.00 H new ATOM 0 HA VAL A 44 15.918 11.016 -22.601 1.00 0.00 H new ATOM 0 HB VAL A 44 14.243 12.036 -20.282 1.00 0.00 H new ATOM 0 HG11 VAL A 44 12.632 10.357 -21.161 1.00 0.00 H new ATOM 0 HG12 VAL A 44 13.069 11.544 -22.412 1.00 0.00 H new ATOM 0 HG13 VAL A 44 13.792 9.918 -22.437 1.00 0.00 H new ATOM 0 HG21 VAL A 44 14.275 9.706 -19.419 1.00 0.00 H new ATOM 0 HG22 VAL A 44 15.444 9.257 -20.684 1.00 0.00 H new ATOM 0 HG23 VAL A 44 15.907 10.416 -19.416 1.00 0.00 H new ATOM 997 N SER A 45 14.517 13.099 -23.458 1.00 0.00 N ATOM 998 CA SER A 45 14.110 14.402 -24.072 1.00 0.00 C ATOM 999 C SER A 45 12.796 14.235 -24.854 1.00 0.00 C ATOM 1000 O SER A 45 12.341 13.117 -25.093 1.00 0.00 O ATOM 1001 CB SER A 45 15.207 14.877 -25.024 1.00 0.00 C ATOM 1002 OG SER A 45 16.458 14.357 -24.594 1.00 0.00 O ATOM 0 H SER A 45 14.131 12.266 -23.903 1.00 0.00 H new ATOM 0 HA SER A 45 13.961 15.136 -23.280 1.00 0.00 H new ATOM 0 HB2 SER A 45 14.992 14.545 -26.040 1.00 0.00 H new ATOM 0 HB3 SER A 45 15.240 15.966 -25.045 1.00 0.00 H new ATOM 0 HG SER A 45 17.164 14.658 -25.203 1.00 0.00 H new ATOM 1003 N ARG A 46 12.175 15.322 -25.265 1.00 0.00 N ATOM 1004 CA ARG A 46 10.902 15.207 -26.032 1.00 0.00 C ATOM 1005 C ARG A 46 10.986 16.062 -27.308 1.00 0.00 C ATOM 1006 O ARG A 46 10.013 16.703 -27.700 1.00 0.00 O ATOM 1007 CB ARG A 46 9.737 15.696 -25.166 1.00 0.00 C ATOM 1008 CG ARG A 46 9.997 17.135 -24.717 1.00 0.00 C ATOM 1009 CD ARG A 46 8.767 17.672 -23.982 1.00 0.00 C ATOM 1010 NE ARG A 46 8.632 19.135 -24.240 1.00 0.00 N ATOM 1011 CZ ARG A 46 7.452 19.656 -24.443 1.00 0.00 C ATOM 1012 NH1 ARG A 46 6.522 19.536 -23.537 1.00 0.00 N ATOM 1013 NH2 ARG A 46 7.205 20.297 -25.552 1.00 0.00 N ATOM 0 H ARG A 46 12.498 16.275 -25.100 1.00 0.00 H new ATOM 0 HA ARG A 46 10.740 14.165 -26.306 1.00 0.00 H new ATOM 0 HB2 ARG A 46 8.805 15.643 -25.729 1.00 0.00 H new ATOM 0 HB3 ARG A 46 9.621 15.049 -24.297 1.00 0.00 H new ATOM 0 HG2 ARG A 46 10.869 17.171 -24.063 1.00 0.00 H new ATOM 0 HG3 ARG A 46 10.220 17.762 -25.581 1.00 0.00 H new ATOM 0 HD2 ARG A 46 7.872 17.149 -24.318 1.00 0.00 H new ATOM 0 HD3 ARG A 46 8.861 17.488 -22.912 1.00 0.00 H new ATOM 0 HE ARG A 46 9.461 19.728 -24.258 1.00 0.00 H new ATOM 0 HH11 ARG A 46 6.716 19.035 -22.670 1.00 0.00 H new ATOM 0 HH12 ARG A 46 5.600 19.943 -23.695 1.00 0.00 H new ATOM 0 HH21 ARG A 46 7.933 20.391 -26.260 1.00 0.00 H new ATOM 0 HH22 ARG A 46 6.283 20.704 -25.711 1.00 0.00 H new ATOM 1014 N SER A 47 12.126 16.087 -27.970 1.00 0.00 N ATOM 1015 CA SER A 47 12.245 16.903 -29.217 1.00 0.00 C ATOM 1016 C SER A 47 11.861 16.042 -30.428 1.00 0.00 C ATOM 1017 O SER A 47 11.520 14.869 -30.280 1.00 0.00 O ATOM 1018 CB SER A 47 13.686 17.393 -29.379 1.00 0.00 C ATOM 1019 OG SER A 47 14.499 16.315 -29.819 1.00 0.00 O ATOM 0 H SER A 47 12.969 15.580 -27.699 1.00 0.00 H new ATOM 0 HA SER A 47 11.577 17.762 -29.151 1.00 0.00 H new ATOM 0 HB2 SER A 47 13.726 18.211 -30.098 1.00 0.00 H new ATOM 0 HB3 SER A 47 14.059 17.782 -28.432 1.00 0.00 H new ATOM 0 HG SER A 47 15.423 16.624 -29.926 1.00 0.00 H new ATOM 1020 N LEU A 48 11.907 16.590 -31.627 1.00 0.00 N ATOM 1021 CA LEU A 48 11.537 15.769 -32.826 1.00 0.00 C ATOM 1022 C LEU A 48 12.590 14.671 -33.040 1.00 0.00 C ATOM 1023 O LEU A 48 12.253 13.498 -33.188 1.00 0.00 O ATOM 1024 CB LEU A 48 11.471 16.647 -34.080 1.00 0.00 C ATOM 1025 CG LEU A 48 10.565 15.983 -35.119 1.00 0.00 C ATOM 1026 CD1 LEU A 48 9.819 17.060 -35.909 1.00 0.00 C ATOM 1027 CD2 LEU A 48 11.416 15.144 -36.075 1.00 0.00 C ATOM 0 H LEU A 48 12.180 17.553 -31.822 1.00 0.00 H new ATOM 0 HA LEU A 48 10.558 15.322 -32.652 1.00 0.00 H new ATOM 0 HB2 LEU A 48 11.088 17.635 -33.826 1.00 0.00 H new ATOM 0 HB3 LEU A 48 12.471 16.789 -34.491 1.00 0.00 H new ATOM 0 HG LEU A 48 9.844 15.339 -34.615 1.00 0.00 H new ATOM 0 HD11 LEU A 48 9.174 16.587 -36.649 1.00 0.00 H new ATOM 0 HD12 LEU A 48 9.213 17.657 -35.228 1.00 0.00 H new ATOM 0 HD13 LEU A 48 10.538 17.705 -36.414 1.00 0.00 H new ATOM 0 HD21 LEU A 48 10.771 14.670 -36.816 1.00 0.00 H new ATOM 0 HD22 LEU A 48 12.137 15.787 -36.580 1.00 0.00 H new ATOM 0 HD23 LEU A 48 11.946 14.376 -35.512 1.00 0.00 H new ATOM 1028 N LYS A 49 13.858 15.022 -33.067 1.00 0.00 N ATOM 1029 CA LYS A 49 14.915 13.980 -33.281 1.00 0.00 C ATOM 1030 C LYS A 49 14.791 12.886 -32.209 1.00 0.00 C ATOM 1031 O LYS A 49 14.949 11.701 -32.500 1.00 0.00 O ATOM 1032 CB LYS A 49 16.312 14.611 -33.196 1.00 0.00 C ATOM 1033 CG LYS A 49 17.359 13.605 -33.675 1.00 0.00 C ATOM 1034 CD LYS A 49 18.750 14.237 -33.589 1.00 0.00 C ATOM 1035 CE LYS A 49 18.933 15.228 -34.740 1.00 0.00 C ATOM 1036 NZ LYS A 49 18.831 14.504 -36.038 1.00 0.00 N ATOM 0 H LYS A 49 14.203 15.975 -32.951 1.00 0.00 H new ATOM 0 HA LYS A 49 14.778 13.545 -34.271 1.00 0.00 H new ATOM 0 HB2 LYS A 49 16.353 15.512 -33.807 1.00 0.00 H new ATOM 0 HB3 LYS A 49 16.524 14.912 -32.170 1.00 0.00 H new ATOM 0 HG2 LYS A 49 17.319 12.703 -33.064 1.00 0.00 H new ATOM 0 HG3 LYS A 49 17.147 13.304 -34.701 1.00 0.00 H new ATOM 0 HD2 LYS A 49 18.871 14.747 -32.633 1.00 0.00 H new ATOM 0 HD3 LYS A 49 19.516 13.463 -33.636 1.00 0.00 H new ATOM 0 HE2 LYS A 49 18.174 16.009 -34.686 1.00 0.00 H new ATOM 0 HE3 LYS A 49 19.903 15.720 -34.660 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 19.419 14.983 -36.750 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 19.162 13.526 -35.917 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 17.840 14.497 -36.355 1.00 0.00 H new ATOM 1037 N MET A 50 14.514 13.249 -30.974 1.00 0.00 N ATOM 1038 CA MET A 50 14.389 12.214 -29.907 1.00 0.00 C ATOM 1039 C MET A 50 12.911 12.050 -29.520 1.00 0.00 C ATOM 1040 O MET A 50 12.521 12.323 -28.385 1.00 0.00 O ATOM 1041 CB MET A 50 15.199 12.646 -28.679 1.00 0.00 C ATOM 1042 CG MET A 50 16.547 11.921 -28.670 1.00 0.00 C ATOM 1043 SD MET A 50 17.821 13.028 -28.018 1.00 0.00 S ATOM 1044 CE MET A 50 18.635 13.384 -29.594 1.00 0.00 C ATOM 0 H MET A 50 14.371 14.211 -30.667 1.00 0.00 H new ATOM 0 HA MET A 50 14.772 11.263 -30.277 1.00 0.00 H new ATOM 0 HB2 MET A 50 15.355 13.725 -28.695 1.00 0.00 H new ATOM 0 HB3 MET A 50 14.646 12.418 -27.768 1.00 0.00 H new ATOM 0 HG2 MET A 50 16.484 11.021 -28.058 1.00 0.00 H new ATOM 0 HG3 MET A 50 16.808 11.603 -29.679 1.00 0.00 H new ATOM 0 HE1 MET A 50 19.470 14.064 -29.427 1.00 0.00 H new ATOM 0 HE2 MET A 50 19.004 12.456 -30.031 1.00 0.00 H new ATOM 0 HE3 MET A 50 17.921 13.847 -30.276 1.00 0.00 H new ATOM 1045 N ARG A 51 12.073 11.606 -30.434 1.00 0.00 N ATOM 1046 CA ARG A 51 10.632 11.427 -30.094 1.00 0.00 C ATOM 1047 C ARG A 51 10.333 9.931 -29.905 1.00 0.00 C ATOM 1048 O ARG A 51 9.290 9.438 -30.332 1.00 0.00 O ATOM 1049 CB ARG A 51 9.765 11.987 -31.224 1.00 0.00 C ATOM 1050 CG ARG A 51 8.517 12.650 -30.635 1.00 0.00 C ATOM 1051 CD ARG A 51 8.755 14.153 -30.489 1.00 0.00 C ATOM 1052 NE ARG A 51 7.467 14.879 -30.667 1.00 0.00 N ATOM 1053 CZ ARG A 51 6.588 14.894 -29.703 1.00 0.00 C ATOM 1054 NH1 ARG A 51 6.873 15.475 -28.570 1.00 0.00 N ATOM 1055 NH2 ARG A 51 5.425 14.328 -29.872 1.00 0.00 N ATOM 0 H ARG A 51 12.328 11.363 -31.391 1.00 0.00 H new ATOM 0 HA ARG A 51 10.407 11.961 -29.170 1.00 0.00 H new ATOM 0 HB2 ARG A 51 10.333 12.712 -31.807 1.00 0.00 H new ATOM 0 HB3 ARG A 51 9.476 11.186 -31.905 1.00 0.00 H new ATOM 0 HG2 ARG A 51 7.658 12.469 -31.281 1.00 0.00 H new ATOM 0 HG3 ARG A 51 8.284 12.212 -29.664 1.00 0.00 H new ATOM 0 HD2 ARG A 51 9.175 14.372 -29.507 1.00 0.00 H new ATOM 0 HD3 ARG A 51 9.480 14.491 -31.229 1.00 0.00 H new ATOM 0 HE ARG A 51 7.272 15.365 -31.543 1.00 0.00 H new ATOM 0 HH11 ARG A 51 7.783 15.917 -28.438 1.00 0.00 H new ATOM 0 HH12 ARG A 51 6.186 15.487 -27.816 1.00 0.00 H new ATOM 0 HH21 ARG A 51 5.203 13.874 -30.758 1.00 0.00 H new ATOM 0 HH22 ARG A 51 4.738 14.340 -29.118 1.00 0.00 H new ATOM 1056 N GLY A 52 11.223 9.194 -29.271 1.00 0.00 N ATOM 1057 CA GLY A 52 10.972 7.732 -29.063 1.00 0.00 C ATOM 1058 C GLY A 52 12.305 6.997 -28.825 1.00 0.00 C ATOM 1059 O GLY A 52 12.634 6.045 -29.532 1.00 0.00 O ATOM 0 H GLY A 52 12.104 9.542 -28.893 1.00 0.00 H new ATOM 0 HA2 GLY A 52 10.309 7.586 -28.210 1.00 0.00 H new ATOM 0 HA3 GLY A 52 10.467 7.314 -29.934 1.00 0.00 H new ATOM 1060 N GLN A 53 13.080 7.416 -27.846 1.00 0.00 N ATOM 1061 CA GLN A 53 14.389 6.736 -27.583 1.00 0.00 C ATOM 1062 C GLN A 53 14.980 7.247 -26.254 1.00 0.00 C ATOM 1063 O GLN A 53 14.700 8.369 -25.837 1.00 0.00 O ATOM 1064 CB GLN A 53 15.362 7.054 -28.721 1.00 0.00 C ATOM 1065 CG GLN A 53 15.500 8.572 -28.870 1.00 0.00 C ATOM 1066 CD GLN A 53 15.955 8.909 -30.294 1.00 0.00 C ATOM 1067 OE1 GLN A 53 17.136 9.440 -30.496 1.00 0.00 O flip ATOM 1068 NE2 GLN A 53 15.218 8.682 -31.252 1.00 0.00 N flip ATOM 0 H GLN A 53 12.862 8.194 -27.223 1.00 0.00 H new ATOM 0 HA GLN A 53 14.231 5.659 -27.521 1.00 0.00 H new ATOM 0 HB2 GLN A 53 16.335 6.609 -28.516 1.00 0.00 H new ATOM 0 HB3 GLN A 53 15.002 6.618 -29.653 1.00 0.00 H new ATOM 0 HG2 GLN A 53 14.547 9.057 -28.658 1.00 0.00 H new ATOM 0 HG3 GLN A 53 16.220 8.955 -28.147 1.00 0.00 H new ATOM 0 HE21 GLN A 53 14.298 8.269 -31.101 1.00 0.00 H new ATOM 0 HE22 GLN A 53 15.527 8.907 -32.198 1.00 0.00 H new ATOM 1069 N ALA A 54 15.785 6.456 -25.577 1.00 0.00 N ATOM 1070 CA ALA A 54 16.367 6.927 -24.285 1.00 0.00 C ATOM 1071 C ALA A 54 17.853 6.545 -24.206 1.00 0.00 C ATOM 1072 O ALA A 54 18.286 5.575 -24.822 1.00 0.00 O ATOM 1073 CB ALA A 54 15.614 6.278 -23.124 1.00 0.00 C ATOM 0 H ALA A 54 16.059 5.516 -25.863 1.00 0.00 H new ATOM 0 HA ALA A 54 16.274 8.011 -24.226 1.00 0.00 H new ATOM 0 HB1 ALA A 54 16.037 6.620 -22.179 1.00 0.00 H new ATOM 0 HB2 ALA A 54 14.561 6.556 -23.172 1.00 0.00 H new ATOM 0 HB3 ALA A 54 15.706 5.194 -23.191 1.00 0.00 H new ATOM 1074 N PHE A 55 18.645 7.280 -23.456 1.00 0.00 N ATOM 1075 CA PHE A 55 20.093 6.939 -23.344 1.00 0.00 C ATOM 1076 C PHE A 55 20.406 6.544 -21.893 1.00 0.00 C ATOM 1077 O PHE A 55 19.965 7.207 -20.957 1.00 0.00 O ATOM 1078 CB PHE A 55 20.938 8.156 -23.729 1.00 0.00 C ATOM 1079 CG PHE A 55 20.866 8.371 -25.222 1.00 0.00 C ATOM 1080 CD1 PHE A 55 19.802 9.093 -25.775 1.00 0.00 C ATOM 1081 CD2 PHE A 55 21.865 7.850 -26.052 1.00 0.00 C ATOM 1082 CE1 PHE A 55 19.736 9.293 -27.159 1.00 0.00 C ATOM 1083 CE2 PHE A 55 21.799 8.051 -27.437 1.00 0.00 C ATOM 1084 CZ PHE A 55 20.735 8.772 -27.990 1.00 0.00 C ATOM 0 H PHE A 55 18.348 8.096 -22.921 1.00 0.00 H new ATOM 0 HA PHE A 55 20.325 6.110 -24.012 1.00 0.00 H new ATOM 0 HB2 PHE A 55 20.577 9.042 -23.206 1.00 0.00 H new ATOM 0 HB3 PHE A 55 21.973 8.004 -23.423 1.00 0.00 H new ATOM 0 HD1 PHE A 55 19.032 9.496 -25.134 1.00 0.00 H new ATOM 0 HD2 PHE A 55 22.686 7.293 -25.625 1.00 0.00 H new ATOM 0 HE1 PHE A 55 18.914 9.849 -27.586 1.00 0.00 H new ATOM 0 HE2 PHE A 55 22.570 7.649 -28.078 1.00 0.00 H new ATOM 0 HZ PHE A 55 20.684 8.927 -29.058 1.00 0.00 H new ATOM 1085 N VAL A 56 21.153 5.483 -21.678 1.00 0.00 N ATOM 1086 CA VAL A 56 21.472 5.076 -20.277 1.00 0.00 C ATOM 1087 C VAL A 56 22.992 4.926 -20.123 1.00 0.00 C ATOM 1088 O VAL A 56 23.687 4.560 -21.068 1.00 0.00 O ATOM 1089 CB VAL A 56 20.791 3.742 -19.958 1.00 0.00 C ATOM 1090 CG1 VAL A 56 21.092 3.334 -18.513 1.00 0.00 C ATOM 1091 CG2 VAL A 56 19.279 3.885 -20.141 1.00 0.00 C ATOM 0 H VAL A 56 21.550 4.890 -22.407 1.00 0.00 H new ATOM 0 HA VAL A 56 21.109 5.838 -19.588 1.00 0.00 H new ATOM 0 HB VAL A 56 21.172 2.976 -20.633 1.00 0.00 H new ATOM 0 HG11 VAL A 56 20.604 2.384 -18.294 1.00 0.00 H new ATOM 0 HG12 VAL A 56 22.169 3.228 -18.382 1.00 0.00 H new ATOM 0 HG13 VAL A 56 20.718 4.099 -17.833 1.00 0.00 H new ATOM 0 HG21 VAL A 56 18.794 2.936 -19.914 1.00 0.00 H new ATOM 0 HG22 VAL A 56 18.902 4.655 -19.468 1.00 0.00 H new ATOM 0 HG23 VAL A 56 19.062 4.166 -21.172 1.00 0.00 H new ATOM 1092 N ILE A 57 23.524 5.196 -18.953 1.00 0.00 N ATOM 1093 CA ILE A 57 24.995 5.061 -18.757 1.00 0.00 C ATOM 1094 C ILE A 57 25.261 4.228 -17.497 1.00 0.00 C ATOM 1095 O ILE A 57 24.483 4.268 -16.543 1.00 0.00 O ATOM 1096 CB ILE A 57 25.616 6.447 -18.593 1.00 0.00 C ATOM 1097 CG1 ILE A 57 25.252 7.319 -19.798 1.00 0.00 C ATOM 1098 CG2 ILE A 57 27.135 6.314 -18.506 1.00 0.00 C ATOM 1099 CD1 ILE A 57 25.416 8.794 -19.429 1.00 0.00 C ATOM 0 H ILE A 57 23.002 5.502 -18.132 1.00 0.00 H new ATOM 0 HA ILE A 57 25.437 4.567 -19.622 1.00 0.00 H new ATOM 0 HB ILE A 57 25.235 6.909 -17.682 1.00 0.00 H new ATOM 0 HG12 ILE A 57 25.892 7.072 -20.645 1.00 0.00 H new ATOM 0 HG13 ILE A 57 24.225 7.122 -20.106 1.00 0.00 H new ATOM 0 HG21 ILE A 57 27.581 7.302 -18.389 1.00 0.00 H new ATOM 0 HG22 ILE A 57 27.397 5.694 -17.649 1.00 0.00 H new ATOM 0 HG23 ILE A 57 27.513 5.851 -19.418 1.00 0.00 H new ATOM 0 HD11 ILE A 57 25.157 9.415 -20.287 1.00 0.00 H new ATOM 0 HD12 ILE A 57 24.758 9.036 -18.594 1.00 0.00 H new ATOM 0 HD13 ILE A 57 26.450 8.985 -19.143 1.00 0.00 H new ATOM 1100 N PHE A 58 26.337 3.469 -17.463 1.00 0.00 N ATOM 1101 CA PHE A 58 26.623 2.647 -16.253 1.00 0.00 C ATOM 1102 C PHE A 58 27.985 3.045 -15.666 1.00 0.00 C ATOM 1103 O PHE A 58 28.848 3.564 -16.374 1.00 0.00 O ATOM 1104 CB PHE A 58 26.649 1.166 -16.632 1.00 0.00 C ATOM 1105 CG PHE A 58 25.330 0.782 -17.256 1.00 0.00 C ATOM 1106 CD1 PHE A 58 25.027 1.196 -18.558 1.00 0.00 C ATOM 1107 CD2 PHE A 58 24.410 0.011 -16.534 1.00 0.00 C ATOM 1108 CE1 PHE A 58 23.806 0.837 -19.140 1.00 0.00 C ATOM 1109 CE2 PHE A 58 23.191 -0.348 -17.116 1.00 0.00 C ATOM 1110 CZ PHE A 58 22.888 0.066 -18.419 1.00 0.00 C ATOM 0 H PHE A 58 27.019 3.388 -18.217 1.00 0.00 H new ATOM 0 HA PHE A 58 25.843 2.820 -15.511 1.00 0.00 H new ATOM 0 HB2 PHE A 58 27.463 0.973 -17.330 1.00 0.00 H new ATOM 0 HB3 PHE A 58 26.836 0.557 -15.748 1.00 0.00 H new ATOM 0 HD1 PHE A 58 25.735 1.793 -19.114 1.00 0.00 H new ATOM 0 HD2 PHE A 58 24.642 -0.306 -15.528 1.00 0.00 H new ATOM 0 HE1 PHE A 58 23.573 1.155 -20.145 1.00 0.00 H new ATOM 0 HE2 PHE A 58 22.483 -0.945 -16.561 1.00 0.00 H new ATOM 0 HZ PHE A 58 21.945 -0.210 -18.868 1.00 0.00 H new ATOM 1111 N LYS A 59 28.205 2.813 -14.388 1.00 0.00 N ATOM 1112 CA LYS A 59 29.527 3.183 -13.778 1.00 0.00 C ATOM 1113 C LYS A 59 30.663 2.534 -14.586 1.00 0.00 C ATOM 1114 O LYS A 59 31.702 3.151 -14.818 1.00 0.00 O ATOM 1115 CB LYS A 59 29.599 2.696 -12.324 1.00 0.00 C ATOM 1116 CG LYS A 59 30.798 3.341 -11.626 1.00 0.00 C ATOM 1117 CD LYS A 59 30.507 3.473 -10.129 1.00 0.00 C ATOM 1118 CE LYS A 59 31.208 4.717 -9.580 1.00 0.00 C ATOM 1119 NZ LYS A 59 30.293 5.888 -9.685 1.00 0.00 N ATOM 0 H LYS A 59 27.534 2.388 -13.748 1.00 0.00 H new ATOM 0 HA LYS A 59 29.631 4.268 -13.795 1.00 0.00 H new ATOM 0 HB2 LYS A 59 28.679 2.951 -11.798 1.00 0.00 H new ATOM 0 HB3 LYS A 59 29.691 1.610 -12.298 1.00 0.00 H new ATOM 0 HG2 LYS A 59 31.691 2.736 -11.782 1.00 0.00 H new ATOM 0 HG3 LYS A 59 30.998 4.322 -12.056 1.00 0.00 H new ATOM 0 HD2 LYS A 59 29.432 3.545 -9.962 1.00 0.00 H new ATOM 0 HD3 LYS A 59 30.853 2.585 -9.601 1.00 0.00 H new ATOM 0 HE2 LYS A 59 31.494 4.557 -8.540 1.00 0.00 H new ATOM 0 HE3 LYS A 59 32.125 4.907 -10.138 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 30.586 6.619 -9.006 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 30.333 6.275 -10.650 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 29.320 5.588 -9.472 1.00 0.00 H new ATOM 1120 N GLU A 60 30.489 1.304 -15.024 1.00 0.00 N ATOM 1121 CA GLU A 60 31.559 0.638 -15.814 1.00 0.00 C ATOM 1122 C GLU A 60 30.980 0.173 -17.159 1.00 0.00 C ATOM 1123 O GLU A 60 29.784 0.318 -17.412 1.00 0.00 O ATOM 1124 CB GLU A 60 32.090 -0.569 -15.037 1.00 0.00 C ATOM 1125 CG GLU A 60 33.595 -0.714 -15.282 1.00 0.00 C ATOM 1126 CD GLU A 60 34.273 -1.219 -14.007 1.00 0.00 C ATOM 1127 OE1 GLU A 60 34.158 -0.550 -12.994 1.00 0.00 O ATOM 1128 OE2 GLU A 60 34.896 -2.266 -14.067 1.00 0.00 O ATOM 0 H GLU A 60 29.653 0.742 -14.865 1.00 0.00 H new ATOM 0 HA GLU A 60 32.375 1.339 -15.992 1.00 0.00 H new ATOM 0 HB2 GLU A 60 31.895 -0.444 -13.972 1.00 0.00 H new ATOM 0 HB3 GLU A 60 31.571 -1.474 -15.352 1.00 0.00 H new ATOM 0 HG2 GLU A 60 33.775 -1.409 -16.102 1.00 0.00 H new ATOM 0 HG3 GLU A 60 34.020 0.245 -15.577 1.00 0.00 H new ATOM 1129 N VAL A 61 31.794 -0.384 -18.029 1.00 0.00 N ATOM 1130 CA VAL A 61 31.266 -0.850 -19.350 1.00 0.00 C ATOM 1131 C VAL A 61 30.605 -2.229 -19.196 1.00 0.00 C ATOM 1132 O VAL A 61 29.605 -2.516 -19.847 1.00 0.00 O ATOM 1133 CB VAL A 61 32.406 -0.946 -20.373 1.00 0.00 C ATOM 1134 CG1 VAL A 61 31.846 -1.358 -21.742 1.00 0.00 C ATOM 1135 CG2 VAL A 61 33.093 0.417 -20.490 1.00 0.00 C ATOM 0 H VAL A 61 32.792 -0.534 -17.881 1.00 0.00 H new ATOM 0 HA VAL A 61 30.527 -0.130 -19.701 1.00 0.00 H new ATOM 0 HB VAL A 61 33.126 -1.695 -20.043 1.00 0.00 H new ATOM 0 HG11 VAL A 61 32.660 -1.424 -22.463 1.00 0.00 H new ATOM 0 HG12 VAL A 61 31.356 -2.328 -21.658 1.00 0.00 H new ATOM 0 HG13 VAL A 61 31.123 -0.615 -22.078 1.00 0.00 H new ATOM 0 HG21 VAL A 61 33.904 0.355 -21.216 1.00 0.00 H new ATOM 0 HG22 VAL A 61 32.369 1.162 -20.818 1.00 0.00 H new ATOM 0 HG23 VAL A 61 33.496 0.706 -19.519 1.00 0.00 H new ATOM 1136 N SER A 62 31.141 -3.094 -18.363 1.00 0.00 N ATOM 1137 CA SER A 62 30.525 -4.454 -18.200 1.00 0.00 C ATOM 1138 C SER A 62 29.045 -4.339 -17.782 1.00 0.00 C ATOM 1139 O SER A 62 28.241 -5.206 -18.113 1.00 0.00 O ATOM 1140 CB SER A 62 31.283 -5.256 -17.135 1.00 0.00 C ATOM 1141 OG SER A 62 31.001 -4.716 -15.851 1.00 0.00 O ATOM 0 H SER A 62 31.970 -2.920 -17.794 1.00 0.00 H new ATOM 0 HA SER A 62 30.587 -4.966 -19.160 1.00 0.00 H new ATOM 0 HB2 SER A 62 30.987 -6.304 -17.174 1.00 0.00 H new ATOM 0 HB3 SER A 62 32.355 -5.219 -17.330 1.00 0.00 H new ATOM 0 HG SER A 62 31.483 -5.228 -15.168 1.00 0.00 H new ATOM 1142 N SER A 63 28.663 -3.310 -17.052 1.00 0.00 N ATOM 1143 CA SER A 63 27.225 -3.197 -16.624 1.00 0.00 C ATOM 1144 C SER A 63 26.324 -2.942 -17.847 1.00 0.00 C ATOM 1145 O SER A 63 25.226 -3.497 -17.946 1.00 0.00 O ATOM 1146 CB SER A 63 27.058 -2.043 -15.628 1.00 0.00 C ATOM 1147 OG SER A 63 27.464 -2.476 -14.336 1.00 0.00 O ATOM 0 H SER A 63 29.274 -2.555 -16.739 1.00 0.00 H new ATOM 0 HA SER A 63 26.934 -4.133 -16.148 1.00 0.00 H new ATOM 0 HB2 SER A 63 27.655 -1.187 -15.942 1.00 0.00 H new ATOM 0 HB3 SER A 63 26.019 -1.715 -15.604 1.00 0.00 H new ATOM 0 HG SER A 63 27.513 -1.705 -13.733 1.00 0.00 H new ATOM 1148 N ALA A 64 26.760 -2.133 -18.789 1.00 0.00 N ATOM 1149 CA ALA A 64 25.912 -1.877 -19.995 1.00 0.00 C ATOM 1150 C ALA A 64 25.911 -3.121 -20.898 1.00 0.00 C ATOM 1151 O ALA A 64 24.979 -3.324 -21.675 1.00 0.00 O ATOM 1152 CB ALA A 64 26.447 -0.673 -20.784 1.00 0.00 C ATOM 0 H ALA A 64 27.656 -1.646 -18.773 1.00 0.00 H new ATOM 0 HA ALA A 64 24.896 -1.659 -19.667 1.00 0.00 H new ATOM 0 HB1 ALA A 64 25.818 -0.502 -21.658 1.00 0.00 H new ATOM 0 HB2 ALA A 64 26.435 0.213 -20.149 1.00 0.00 H new ATOM 0 HB3 ALA A 64 27.469 -0.874 -21.106 1.00 0.00 H new ATOM 1153 N THR A 65 26.924 -3.965 -20.819 1.00 0.00 N ATOM 1154 CA THR A 65 26.933 -5.180 -21.683 1.00 0.00 C ATOM 1155 C THR A 65 25.846 -6.148 -21.197 1.00 0.00 C ATOM 1156 O THR A 65 25.136 -6.750 -22.000 1.00 0.00 O ATOM 1157 CB THR A 65 28.306 -5.876 -21.626 1.00 0.00 C ATOM 1158 OG1 THR A 65 29.345 -4.901 -21.471 1.00 0.00 O ATOM 1159 CG2 THR A 65 28.526 -6.684 -22.910 1.00 0.00 C ATOM 0 H THR A 65 27.729 -3.860 -20.201 1.00 0.00 H new ATOM 0 HA THR A 65 26.738 -4.884 -22.714 1.00 0.00 H new ATOM 0 HB THR A 65 28.332 -6.551 -20.771 1.00 0.00 H new ATOM 0 HG1 THR A 65 30.214 -5.352 -21.434 1.00 0.00 H new ATOM 0 HG21 THR A 65 29.498 -7.176 -22.868 1.00 0.00 H new ATOM 0 HG22 THR A 65 27.743 -7.436 -23.006 1.00 0.00 H new ATOM 0 HG23 THR A 65 28.494 -6.016 -23.770 1.00 0.00 H new ATOM 1160 N ASN A 66 25.687 -6.305 -19.897 1.00 0.00 N ATOM 1161 CA ASN A 66 24.625 -7.232 -19.389 1.00 0.00 C ATOM 1162 C ASN A 66 23.255 -6.671 -19.783 1.00 0.00 C ATOM 1163 O ASN A 66 22.374 -7.410 -20.221 1.00 0.00 O ATOM 1164 CB ASN A 66 24.706 -7.356 -17.861 1.00 0.00 C ATOM 1165 CG ASN A 66 24.398 -8.800 -17.446 1.00 0.00 C ATOM 1166 OD1 ASN A 66 25.185 -9.775 -17.832 1.00 0.00 O flip ATOM 1167 ND2 ASN A 66 23.414 -9.050 -16.752 1.00 0.00 N flip ATOM 0 H ASN A 66 26.240 -5.837 -19.179 1.00 0.00 H new ATOM 0 HA ASN A 66 24.770 -8.220 -19.825 1.00 0.00 H new ATOM 0 HB2 ASN A 66 25.700 -7.071 -17.515 1.00 0.00 H new ATOM 0 HB3 ASN A 66 23.997 -6.673 -17.392 1.00 0.00 H new ATOM 0 HD21 ASN A 66 22.799 -8.295 -16.449 1.00 0.00 H new ATOM 0 HD22 ASN A 66 23.213 -10.012 -16.479 1.00 0.00 H new ATOM 1168 N ALA A 67 23.050 -5.374 -19.651 1.00 0.00 N ATOM 1169 CA ALA A 67 21.723 -4.790 -20.042 1.00 0.00 C ATOM 1170 C ALA A 67 21.410 -5.162 -21.504 1.00 0.00 C ATOM 1171 O ALA A 67 20.263 -5.444 -21.848 1.00 0.00 O ATOM 1172 CB ALA A 67 21.751 -3.260 -19.906 1.00 0.00 C ATOM 0 H ALA A 67 23.734 -4.706 -19.295 1.00 0.00 H new ATOM 0 HA ALA A 67 20.954 -5.192 -19.382 1.00 0.00 H new ATOM 0 HB1 ALA A 67 20.782 -2.851 -20.193 1.00 0.00 H new ATOM 0 HB2 ALA A 67 21.967 -2.991 -18.872 1.00 0.00 H new ATOM 0 HB3 ALA A 67 22.524 -2.851 -20.556 1.00 0.00 H new ATOM 1173 N LEU A 68 22.402 -5.174 -22.373 1.00 0.00 N ATOM 1174 CA LEU A 68 22.137 -5.536 -23.805 1.00 0.00 C ATOM 1175 C LEU A 68 21.683 -7.000 -23.891 1.00 0.00 C ATOM 1176 O LEU A 68 20.780 -7.335 -24.657 1.00 0.00 O ATOM 1177 CB LEU A 68 23.408 -5.355 -24.645 1.00 0.00 C ATOM 1178 CG LEU A 68 23.026 -5.129 -26.109 1.00 0.00 C ATOM 1179 CD1 LEU A 68 22.959 -3.628 -26.394 1.00 0.00 C ATOM 1180 CD2 LEU A 68 24.079 -5.772 -27.016 1.00 0.00 C ATOM 0 H LEU A 68 23.373 -4.951 -22.153 1.00 0.00 H new ATOM 0 HA LEU A 68 21.356 -4.881 -24.191 1.00 0.00 H new ATOM 0 HB2 LEU A 68 23.984 -4.507 -24.274 1.00 0.00 H new ATOM 0 HB3 LEU A 68 24.044 -6.236 -24.556 1.00 0.00 H new ATOM 0 HG LEU A 68 22.053 -5.580 -26.303 1.00 0.00 H new ATOM 0 HD11 LEU A 68 22.687 -3.468 -27.437 1.00 0.00 H new ATOM 0 HD12 LEU A 68 22.210 -3.168 -25.749 1.00 0.00 H new ATOM 0 HD13 LEU A 68 23.932 -3.177 -26.199 1.00 0.00 H new ATOM 0 HD21 LEU A 68 23.807 -5.611 -28.059 1.00 0.00 H new ATOM 0 HD22 LEU A 68 25.052 -5.321 -26.821 1.00 0.00 H new ATOM 0 HD23 LEU A 68 24.128 -6.842 -26.815 1.00 0.00 H new ATOM 1181 N ARG A 69 22.285 -7.888 -23.125 1.00 0.00 N ATOM 1182 CA ARG A 69 21.873 -9.321 -23.179 1.00 0.00 C ATOM 1183 C ARG A 69 20.834 -9.597 -22.081 1.00 0.00 C ATOM 1184 O ARG A 69 21.014 -10.482 -21.246 1.00 0.00 O ATOM 1185 CB ARG A 69 23.094 -10.222 -22.971 1.00 0.00 C ATOM 1186 CG ARG A 69 24.175 -9.854 -23.987 1.00 0.00 C ATOM 1187 CD ARG A 69 25.525 -10.403 -23.520 1.00 0.00 C ATOM 1188 NE ARG A 69 25.546 -11.883 -23.697 1.00 0.00 N ATOM 1189 CZ ARG A 69 26.515 -12.447 -24.365 1.00 0.00 C ATOM 1190 NH1 ARG A 69 27.729 -12.432 -23.887 1.00 0.00 N ATOM 1191 NH2 ARG A 69 26.270 -13.024 -25.509 1.00 0.00 N ATOM 0 H ARG A 69 23.039 -7.677 -22.471 1.00 0.00 H new ATOM 0 HA ARG A 69 21.436 -9.533 -24.155 1.00 0.00 H new ATOM 0 HB2 ARG A 69 23.477 -10.106 -21.957 1.00 0.00 H new ATOM 0 HB3 ARG A 69 22.812 -11.268 -23.087 1.00 0.00 H new ATOM 0 HG2 ARG A 69 23.923 -10.263 -24.965 1.00 0.00 H new ATOM 0 HG3 ARG A 69 24.230 -8.771 -24.099 1.00 0.00 H new ATOM 0 HD2 ARG A 69 26.333 -9.946 -24.091 1.00 0.00 H new ATOM 0 HD3 ARG A 69 25.691 -10.149 -22.473 1.00 0.00 H new ATOM 0 HE ARG A 69 24.803 -12.455 -23.296 1.00 0.00 H new ATOM 0 HH11 ARG A 69 27.919 -11.980 -22.993 1.00 0.00 H new ATOM 0 HH12 ARG A 69 28.488 -12.872 -24.408 1.00 0.00 H new ATOM 0 HH21 ARG A 69 25.321 -13.035 -25.882 1.00 0.00 H new ATOM 0 HH22 ARG A 69 27.028 -13.465 -26.031 1.00 0.00 H new ATOM 1192 N SER A 70 19.746 -8.859 -22.063 1.00 0.00 N ATOM 1193 CA SER A 70 18.704 -9.085 -21.020 1.00 0.00 C ATOM 1194 C SER A 70 17.324 -8.730 -21.595 1.00 0.00 C ATOM 1195 O SER A 70 16.435 -9.575 -21.669 1.00 0.00 O ATOM 1196 CB SER A 70 18.997 -8.204 -19.805 1.00 0.00 C ATOM 1197 OG SER A 70 20.222 -8.616 -19.213 1.00 0.00 O ATOM 0 H SER A 70 19.540 -8.112 -22.727 1.00 0.00 H new ATOM 0 HA SER A 70 18.713 -10.132 -20.716 1.00 0.00 H new ATOM 0 HB2 SER A 70 19.058 -7.158 -20.106 1.00 0.00 H new ATOM 0 HB3 SER A 70 18.186 -8.281 -19.081 1.00 0.00 H new ATOM 0 HG SER A 70 20.184 -8.466 -18.245 1.00 0.00 H new ATOM 1198 N MET A 71 17.127 -7.497 -22.015 1.00 0.00 N ATOM 1199 CA MET A 71 15.807 -7.111 -22.591 1.00 0.00 C ATOM 1200 C MET A 71 15.961 -6.873 -24.103 1.00 0.00 C ATOM 1201 O MET A 71 15.348 -5.964 -24.661 1.00 0.00 O ATOM 1202 CB MET A 71 15.313 -5.828 -21.919 1.00 0.00 C ATOM 1203 CG MET A 71 15.162 -6.064 -20.415 1.00 0.00 C ATOM 1204 SD MET A 71 13.499 -6.687 -20.066 1.00 0.00 S ATOM 1205 CE MET A 71 12.605 -5.151 -20.406 1.00 0.00 C ATOM 0 H MET A 71 17.822 -6.751 -21.981 1.00 0.00 H new ATOM 0 HA MET A 71 15.086 -7.910 -22.420 1.00 0.00 H new ATOM 0 HB2 MET A 71 16.016 -5.016 -22.101 1.00 0.00 H new ATOM 0 HB3 MET A 71 14.358 -5.525 -22.348 1.00 0.00 H new ATOM 0 HG2 MET A 71 15.909 -6.779 -20.071 1.00 0.00 H new ATOM 0 HG3 MET A 71 15.336 -5.135 -19.871 1.00 0.00 H new ATOM 0 HE1 MET A 71 11.973 -4.901 -19.554 1.00 0.00 H new ATOM 0 HE2 MET A 71 13.319 -4.345 -20.577 1.00 0.00 H new ATOM 0 HE3 MET A 71 11.984 -5.280 -21.292 1.00 0.00 H new ATOM 1206 N GLN A 72 16.760 -7.669 -24.785 1.00 0.00 N ATOM 1207 CA GLN A 72 16.929 -7.468 -26.260 1.00 0.00 C ATOM 1208 C GLN A 72 15.609 -7.801 -26.968 1.00 0.00 C ATOM 1209 O GLN A 72 15.211 -8.962 -27.043 1.00 0.00 O ATOM 1210 CB GLN A 72 18.040 -8.378 -26.803 1.00 0.00 C ATOM 1211 CG GLN A 72 18.557 -7.817 -28.130 1.00 0.00 C ATOM 1212 CD GLN A 72 20.059 -8.096 -28.256 1.00 0.00 C ATOM 1213 OE1 GLN A 72 20.465 -9.238 -28.460 1.00 0.00 O ATOM 1214 NE2 GLN A 72 20.920 -7.112 -28.145 1.00 0.00 N ATOM 0 H GLN A 72 17.295 -8.440 -24.386 1.00 0.00 H new ATOM 0 HA GLN A 72 17.203 -6.430 -26.446 1.00 0.00 H new ATOM 0 HB2 GLN A 72 18.855 -8.445 -26.082 1.00 0.00 H new ATOM 0 HB3 GLN A 72 17.659 -9.389 -26.947 1.00 0.00 H new ATOM 0 HG2 GLN A 72 18.021 -8.273 -28.963 1.00 0.00 H new ATOM 0 HG3 GLN A 72 18.371 -6.744 -28.180 1.00 0.00 H new ATOM 0 HE21 GLN A 72 20.590 -6.162 -27.976 1.00 0.00 H new ATOM 0 HE22 GLN A 72 21.920 -7.297 -28.228 1.00 0.00 H new ATOM 1215 N GLY A 73 14.914 -6.810 -27.483 1.00 0.00 N ATOM 1216 CA GLY A 73 13.622 -7.088 -28.172 1.00 0.00 C ATOM 1217 C GLY A 73 12.558 -7.440 -27.124 1.00 0.00 C ATOM 1218 O GLY A 73 11.994 -8.533 -27.143 1.00 0.00 O ATOM 0 H GLY A 73 15.189 -5.828 -27.453 1.00 0.00 H new ATOM 0 HA2 GLY A 73 13.308 -6.217 -28.748 1.00 0.00 H new ATOM 0 HA3 GLY A 73 13.742 -7.911 -28.877 1.00 0.00 H new ATOM 1219 N PHE A 74 12.273 -6.544 -26.203 1.00 0.00 N ATOM 1220 CA PHE A 74 11.249 -6.850 -25.161 1.00 0.00 C ATOM 1221 C PHE A 74 10.256 -5.681 -25.053 1.00 0.00 C ATOM 1222 O PHE A 74 10.583 -4.560 -25.437 1.00 0.00 O ATOM 1223 CB PHE A 74 11.941 -7.056 -23.811 1.00 0.00 C ATOM 1224 CG PHE A 74 12.259 -8.521 -23.627 1.00 0.00 C ATOM 1225 CD1 PHE A 74 13.319 -9.102 -24.334 1.00 0.00 C ATOM 1226 CD2 PHE A 74 11.496 -9.300 -22.748 1.00 0.00 C ATOM 1227 CE1 PHE A 74 13.615 -10.459 -24.164 1.00 0.00 C ATOM 1228 CE2 PHE A 74 11.791 -10.657 -22.578 1.00 0.00 C ATOM 1229 CZ PHE A 74 12.851 -11.237 -23.285 1.00 0.00 C ATOM 0 H PHE A 74 12.704 -5.622 -26.132 1.00 0.00 H new ATOM 0 HA PHE A 74 10.712 -7.757 -25.438 1.00 0.00 H new ATOM 0 HB2 PHE A 74 12.856 -6.466 -23.765 1.00 0.00 H new ATOM 0 HB3 PHE A 74 11.297 -6.708 -23.003 1.00 0.00 H new ATOM 0 HD1 PHE A 74 13.909 -8.502 -25.011 1.00 0.00 H new ATOM 0 HD2 PHE A 74 10.679 -8.853 -22.201 1.00 0.00 H new ATOM 0 HE1 PHE A 74 14.432 -10.906 -24.710 1.00 0.00 H new ATOM 0 HE2 PHE A 74 11.201 -11.257 -21.901 1.00 0.00 H new ATOM 0 HZ PHE A 74 13.080 -12.284 -23.153 1.00 0.00 H new ATOM 1230 N PRO A 75 9.066 -5.950 -24.540 1.00 0.00 N ATOM 1231 CA PRO A 75 8.029 -4.913 -24.388 1.00 0.00 C ATOM 1232 C PRO A 75 8.309 -4.044 -23.150 1.00 0.00 C ATOM 1233 O PRO A 75 8.563 -4.560 -22.063 1.00 0.00 O ATOM 1234 CB PRO A 75 6.737 -5.714 -24.206 1.00 0.00 C ATOM 1235 CG PRO A 75 7.156 -7.112 -23.696 1.00 0.00 C ATOM 1236 CD PRO A 75 8.637 -7.294 -24.071 1.00 0.00 C ATOM 0 HA PRO A 75 7.986 -4.229 -25.236 1.00 0.00 H new ATOM 0 HB2 PRO A 75 6.074 -5.224 -23.493 1.00 0.00 H new ATOM 0 HB3 PRO A 75 6.193 -5.791 -25.147 1.00 0.00 H new ATOM 0 HG2 PRO A 75 7.018 -7.188 -22.617 1.00 0.00 H new ATOM 0 HG3 PRO A 75 6.543 -7.890 -24.151 1.00 0.00 H new ATOM 0 HD2 PRO A 75 9.226 -7.623 -23.215 1.00 0.00 H new ATOM 0 HD3 PRO A 75 8.760 -8.045 -24.851 1.00 0.00 H new ATOM 1237 N PHE A 76 8.264 -2.736 -23.288 1.00 0.00 N ATOM 1238 CA PHE A 76 8.522 -1.852 -22.115 1.00 0.00 C ATOM 1239 C PHE A 76 7.365 -0.850 -21.972 1.00 0.00 C ATOM 1240 O PHE A 76 6.682 -0.821 -20.950 1.00 0.00 O ATOM 1241 CB PHE A 76 9.835 -1.094 -22.324 1.00 0.00 C ATOM 1242 CG PHE A 76 10.376 -0.649 -20.988 1.00 0.00 C ATOM 1243 CD1 PHE A 76 10.649 -1.596 -19.993 1.00 0.00 C ATOM 1244 CD2 PHE A 76 10.603 0.710 -20.742 1.00 0.00 C ATOM 1245 CE1 PHE A 76 11.151 -1.184 -18.753 1.00 0.00 C ATOM 1246 CE2 PHE A 76 11.104 1.122 -19.502 1.00 0.00 C ATOM 1247 CZ PHE A 76 11.378 0.176 -18.508 1.00 0.00 C ATOM 0 H PHE A 76 8.060 -2.250 -24.161 1.00 0.00 H new ATOM 0 HA PHE A 76 8.596 -2.456 -21.211 1.00 0.00 H new ATOM 0 HB2 PHE A 76 10.560 -1.733 -22.828 1.00 0.00 H new ATOM 0 HB3 PHE A 76 9.670 -0.230 -22.968 1.00 0.00 H new ATOM 0 HD1 PHE A 76 10.472 -2.644 -20.182 1.00 0.00 H new ATOM 0 HD2 PHE A 76 10.392 1.440 -21.509 1.00 0.00 H new ATOM 0 HE1 PHE A 76 11.363 -1.914 -17.986 1.00 0.00 H new ATOM 0 HE2 PHE A 76 11.279 2.171 -19.312 1.00 0.00 H new ATOM 0 HZ PHE A 76 11.765 0.495 -17.551 1.00 0.00 H new ATOM 1248 N TYR A 77 7.123 -0.031 -22.975 1.00 0.00 N ATOM 1249 CA TYR A 77 6.008 0.952 -22.881 1.00 0.00 C ATOM 1250 C TYR A 77 4.915 0.581 -23.899 1.00 0.00 C ATOM 1251 O TYR A 77 4.634 1.337 -24.827 1.00 0.00 O ATOM 1252 CB TYR A 77 6.538 2.356 -23.181 1.00 0.00 C ATOM 1253 CG TYR A 77 6.839 3.071 -21.885 1.00 0.00 C ATOM 1254 CD1 TYR A 77 7.757 2.525 -20.981 1.00 0.00 C ATOM 1255 CD2 TYR A 77 6.200 4.282 -21.588 1.00 0.00 C ATOM 1256 CE1 TYR A 77 8.037 3.187 -19.781 1.00 0.00 C ATOM 1257 CE2 TYR A 77 6.480 4.946 -20.386 1.00 0.00 C ATOM 1258 CZ TYR A 77 7.399 4.398 -19.483 1.00 0.00 C ATOM 1259 OH TYR A 77 7.676 5.050 -18.299 1.00 0.00 O ATOM 0 H TYR A 77 7.651 -0.007 -23.847 1.00 0.00 H new ATOM 0 HA TYR A 77 5.588 0.934 -21.875 1.00 0.00 H new ATOM 0 HB2 TYR A 77 7.439 2.293 -23.791 1.00 0.00 H new ATOM 0 HB3 TYR A 77 5.802 2.918 -23.756 1.00 0.00 H new ATOM 0 HD1 TYR A 77 8.250 1.592 -21.210 1.00 0.00 H new ATOM 0 HD2 TYR A 77 5.492 4.704 -22.285 1.00 0.00 H new ATOM 0 HE1 TYR A 77 8.745 2.764 -19.084 1.00 0.00 H new ATOM 0 HE2 TYR A 77 5.987 5.879 -20.157 1.00 0.00 H new ATOM 0 HH TYR A 77 7.150 5.875 -18.249 1.00 0.00 H new ATOM 1260 N ASP A 78 4.289 -0.568 -23.747 1.00 0.00 N ATOM 1261 CA ASP A 78 3.220 -0.972 -24.710 1.00 0.00 C ATOM 1262 C ASP A 78 3.817 -1.113 -26.119 1.00 0.00 C ATOM 1263 O ASP A 78 3.203 -0.702 -27.102 1.00 0.00 O ATOM 1264 CB ASP A 78 2.113 0.085 -24.727 1.00 0.00 C ATOM 1265 CG ASP A 78 0.753 -0.599 -24.882 1.00 0.00 C ATOM 1266 OD1 ASP A 78 0.356 -0.832 -26.012 1.00 0.00 O ATOM 1267 OD2 ASP A 78 0.134 -0.879 -23.869 1.00 0.00 O ATOM 0 H ASP A 78 4.475 -1.237 -23.000 1.00 0.00 H new ATOM 0 HA ASP A 78 2.801 -1.929 -24.398 1.00 0.00 H new ATOM 0 HB2 ASP A 78 2.136 0.666 -23.805 1.00 0.00 H new ATOM 0 HB3 ASP A 78 2.276 0.784 -25.548 1.00 0.00 H new ATOM 1268 N LYS A 79 4.996 -1.686 -26.244 1.00 0.00 N ATOM 1269 CA LYS A 79 5.606 -1.841 -27.605 1.00 0.00 C ATOM 1270 C LYS A 79 6.965 -2.567 -27.497 1.00 0.00 C ATOM 1271 O LYS A 79 7.624 -2.476 -26.467 1.00 0.00 O ATOM 1272 CB LYS A 79 5.817 -0.454 -28.228 1.00 0.00 C ATOM 1273 CG LYS A 79 4.793 -0.224 -29.343 1.00 0.00 C ATOM 1274 CD LYS A 79 5.425 0.619 -30.451 1.00 0.00 C ATOM 1275 CE LYS A 79 6.009 -0.305 -31.522 1.00 0.00 C ATOM 1276 NZ LYS A 79 6.102 0.430 -32.815 1.00 0.00 N ATOM 0 H LYS A 79 5.555 -2.048 -25.471 1.00 0.00 H new ATOM 0 HA LYS A 79 4.936 -2.430 -28.232 1.00 0.00 H new ATOM 0 HB2 LYS A 79 5.716 0.317 -27.464 1.00 0.00 H new ATOM 0 HB3 LYS A 79 6.828 -0.375 -28.628 1.00 0.00 H new ATOM 0 HG2 LYS A 79 4.457 -1.180 -29.745 1.00 0.00 H new ATOM 0 HG3 LYS A 79 3.913 0.281 -28.944 1.00 0.00 H new ATOM 0 HD2 LYS A 79 4.678 1.279 -30.892 1.00 0.00 H new ATOM 0 HD3 LYS A 79 6.208 1.255 -30.038 1.00 0.00 H new ATOM 0 HE2 LYS A 79 6.996 -0.654 -31.218 1.00 0.00 H new ATOM 0 HE3 LYS A 79 5.381 -1.188 -31.638 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 6.499 -0.197 -33.543 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 5.154 0.742 -33.106 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 6.719 1.259 -32.699 1.00 0.00 H new ATOM 1277 N PRO A 80 7.364 -3.267 -28.547 1.00 0.00 N ATOM 1278 CA PRO A 80 8.645 -3.997 -28.551 1.00 0.00 C ATOM 1279 C PRO A 80 9.811 -3.021 -28.773 1.00 0.00 C ATOM 1280 O PRO A 80 9.651 -1.993 -29.429 1.00 0.00 O ATOM 1281 CB PRO A 80 8.508 -4.967 -29.729 1.00 0.00 C ATOM 1282 CG PRO A 80 7.434 -4.367 -30.666 1.00 0.00 C ATOM 1283 CD PRO A 80 6.598 -3.395 -29.814 1.00 0.00 C ATOM 0 HA PRO A 80 8.851 -4.510 -27.611 1.00 0.00 H new ATOM 0 HB2 PRO A 80 9.458 -5.081 -30.250 1.00 0.00 H new ATOM 0 HB3 PRO A 80 8.213 -5.958 -29.384 1.00 0.00 H new ATOM 0 HG2 PRO A 80 7.898 -3.847 -31.504 1.00 0.00 H new ATOM 0 HG3 PRO A 80 6.805 -5.152 -31.087 1.00 0.00 H new ATOM 0 HD2 PRO A 80 6.483 -2.430 -30.308 1.00 0.00 H new ATOM 0 HD3 PRO A 80 5.595 -3.784 -29.635 1.00 0.00 H new ATOM 1284 N MET A 81 10.979 -3.308 -28.236 1.00 0.00 N ATOM 1285 CA MET A 81 12.130 -2.376 -28.424 1.00 0.00 C ATOM 1286 C MET A 81 13.446 -3.166 -28.493 1.00 0.00 C ATOM 1287 O MET A 81 13.593 -4.205 -27.853 1.00 0.00 O ATOM 1288 CB MET A 81 12.188 -1.399 -27.248 1.00 0.00 C ATOM 1289 CG MET A 81 12.187 -2.178 -25.931 1.00 0.00 C ATOM 1290 SD MET A 81 13.110 -1.250 -24.681 1.00 0.00 S ATOM 1291 CE MET A 81 13.845 -2.674 -23.841 1.00 0.00 C ATOM 0 H MET A 81 11.178 -4.141 -27.682 1.00 0.00 H new ATOM 0 HA MET A 81 11.995 -1.828 -29.356 1.00 0.00 H new ATOM 0 HB2 MET A 81 13.085 -0.784 -27.317 1.00 0.00 H new ATOM 0 HB3 MET A 81 11.334 -0.722 -27.282 1.00 0.00 H new ATOM 0 HG2 MET A 81 11.163 -2.343 -25.595 1.00 0.00 H new ATOM 0 HG3 MET A 81 12.637 -3.160 -26.076 1.00 0.00 H new ATOM 0 HE1 MET A 81 14.717 -2.351 -23.272 1.00 0.00 H new ATOM 0 HE2 MET A 81 13.113 -3.115 -23.164 1.00 0.00 H new ATOM 0 HE3 MET A 81 14.149 -3.416 -24.580 1.00 0.00 H new ATOM 1292 N ARG A 82 14.412 -2.690 -29.254 1.00 0.00 N ATOM 1293 CA ARG A 82 15.714 -3.412 -29.358 1.00 0.00 C ATOM 1294 C ARG A 82 16.792 -2.639 -28.588 1.00 0.00 C ATOM 1295 O ARG A 82 16.669 -1.434 -28.370 1.00 0.00 O ATOM 1296 CB ARG A 82 16.118 -3.525 -30.830 1.00 0.00 C ATOM 1297 CG ARG A 82 17.068 -4.710 -31.012 1.00 0.00 C ATOM 1298 CD ARG A 82 17.355 -4.914 -32.500 1.00 0.00 C ATOM 1299 NE ARG A 82 17.690 -6.345 -32.752 1.00 0.00 N ATOM 1300 CZ ARG A 82 18.938 -6.715 -32.851 1.00 0.00 C ATOM 1301 NH1 ARG A 82 19.767 -6.482 -31.871 1.00 0.00 N ATOM 1302 NH2 ARG A 82 19.355 -7.321 -33.929 1.00 0.00 N ATOM 0 H ARG A 82 14.348 -1.833 -29.804 1.00 0.00 H new ATOM 0 HA ARG A 82 15.611 -4.410 -28.932 1.00 0.00 H new ATOM 0 HB2 ARG A 82 15.232 -3.657 -31.451 1.00 0.00 H new ATOM 0 HB3 ARG A 82 16.602 -2.604 -31.156 1.00 0.00 H new ATOM 0 HG2 ARG A 82 17.998 -4.529 -30.473 1.00 0.00 H new ATOM 0 HG3 ARG A 82 16.625 -5.612 -30.590 1.00 0.00 H new ATOM 0 HD2 ARG A 82 16.487 -4.623 -33.092 1.00 0.00 H new ATOM 0 HD3 ARG A 82 18.182 -4.276 -32.812 1.00 0.00 H new ATOM 0 HE ARG A 82 16.944 -7.034 -32.847 1.00 0.00 H new ATOM 0 HH11 ARG A 82 19.440 -6.011 -31.028 1.00 0.00 H new ATOM 0 HH12 ARG A 82 20.742 -6.771 -31.948 1.00 0.00 H new ATOM 0 HH21 ARG A 82 18.706 -7.505 -34.694 1.00 0.00 H new ATOM 0 HH22 ARG A 82 20.330 -7.610 -34.007 1.00 0.00 H new ATOM 1303 N ILE A 83 17.845 -3.302 -28.161 1.00 0.00 N ATOM 1304 CA ILE A 83 18.915 -2.587 -27.397 1.00 0.00 C ATOM 1305 C ILE A 83 20.186 -2.467 -28.256 1.00 0.00 C ATOM 1306 O ILE A 83 20.673 -3.454 -28.803 1.00 0.00 O ATOM 1307 CB ILE A 83 19.259 -3.361 -26.116 1.00 0.00 C ATOM 1308 CG1 ILE A 83 17.976 -3.837 -25.409 1.00 0.00 C ATOM 1309 CG2 ILE A 83 20.062 -2.456 -25.176 1.00 0.00 C ATOM 1310 CD1 ILE A 83 17.083 -2.644 -25.056 1.00 0.00 C ATOM 0 H ILE A 83 18.006 -4.298 -28.308 1.00 0.00 H new ATOM 0 HA ILE A 83 18.547 -1.594 -27.139 1.00 0.00 H new ATOM 0 HB ILE A 83 19.852 -4.236 -26.381 1.00 0.00 H new ATOM 0 HG12 ILE A 83 17.433 -4.527 -26.055 1.00 0.00 H new ATOM 0 HG13 ILE A 83 18.235 -4.385 -24.503 1.00 0.00 H new ATOM 0 HG21 ILE A 83 20.307 -3.003 -24.266 1.00 0.00 H new ATOM 0 HG22 ILE A 83 20.982 -2.143 -25.670 1.00 0.00 H new ATOM 0 HG23 ILE A 83 19.469 -1.577 -24.922 1.00 0.00 H new ATOM 0 HD11 ILE A 83 16.181 -2.999 -24.557 1.00 0.00 H new ATOM 0 HD12 ILE A 83 17.623 -1.969 -24.392 1.00 0.00 H new ATOM 0 HD13 ILE A 83 16.808 -2.113 -25.967 1.00 0.00 H new ATOM 1311 N GLN A 84 20.747 -1.280 -28.374 1.00 0.00 N ATOM 1312 CA GLN A 84 21.997 -1.115 -29.185 1.00 0.00 C ATOM 1313 C GLN A 84 22.884 -0.055 -28.517 1.00 0.00 C ATOM 1314 O GLN A 84 22.403 1.015 -28.154 1.00 0.00 O ATOM 1315 CB GLN A 84 21.667 -0.637 -30.608 1.00 0.00 C ATOM 1316 CG GLN A 84 20.438 -1.368 -31.161 1.00 0.00 C ATOM 1317 CD GLN A 84 19.177 -0.548 -30.851 1.00 0.00 C ATOM 1318 OE1 GLN A 84 18.260 -1.043 -30.200 1.00 0.00 O ATOM 1319 NE2 GLN A 84 19.076 0.687 -31.283 1.00 0.00 N ATOM 0 H GLN A 84 20.393 -0.425 -27.945 1.00 0.00 H new ATOM 0 HA GLN A 84 22.505 -2.078 -29.239 1.00 0.00 H new ATOM 0 HB2 GLN A 84 21.483 0.437 -30.601 1.00 0.00 H new ATOM 0 HB3 GLN A 84 22.522 -0.810 -31.261 1.00 0.00 H new ATOM 0 HG2 GLN A 84 20.538 -1.509 -32.237 1.00 0.00 H new ATOM 0 HG3 GLN A 84 20.359 -2.360 -30.715 1.00 0.00 H new ATOM 0 HE21 GLN A 84 19.835 1.102 -31.824 1.00 0.00 H new ATOM 0 HE22 GLN A 84 18.239 1.232 -31.078 1.00 0.00 H new ATOM 1320 N TYR A 85 24.168 -0.307 -28.350 1.00 0.00 N ATOM 1321 CA TYR A 85 25.042 0.730 -27.701 1.00 0.00 C ATOM 1322 C TYR A 85 24.888 2.062 -28.455 1.00 0.00 C ATOM 1323 O TYR A 85 24.273 2.112 -29.519 1.00 0.00 O ATOM 1324 CB TYR A 85 26.523 0.316 -27.738 1.00 0.00 C ATOM 1325 CG TYR A 85 26.786 -0.903 -26.868 1.00 0.00 C ATOM 1326 CD1 TYR A 85 26.110 -1.092 -25.647 1.00 0.00 C ATOM 1327 CD2 TYR A 85 27.722 -1.854 -27.294 1.00 0.00 C ATOM 1328 CE1 TYR A 85 26.377 -2.228 -24.870 1.00 0.00 C ATOM 1329 CE2 TYR A 85 27.982 -2.984 -26.520 1.00 0.00 C ATOM 1330 CZ TYR A 85 27.312 -3.173 -25.308 1.00 0.00 C ATOM 1331 OH TYR A 85 27.573 -4.292 -24.546 1.00 0.00 O ATOM 0 H TYR A 85 24.639 -1.168 -28.629 1.00 0.00 H new ATOM 0 HA TYR A 85 24.733 0.832 -26.661 1.00 0.00 H new ATOM 0 HB2 TYR A 85 26.815 0.100 -28.766 1.00 0.00 H new ATOM 0 HB3 TYR A 85 27.142 1.146 -27.398 1.00 0.00 H new ATOM 0 HD1 TYR A 85 25.388 -0.363 -25.310 1.00 0.00 H new ATOM 0 HD2 TYR A 85 28.245 -1.711 -28.228 1.00 0.00 H new ATOM 0 HE1 TYR A 85 25.861 -2.374 -23.933 1.00 0.00 H new ATOM 0 HE2 TYR A 85 28.702 -3.715 -26.857 1.00 0.00 H new ATOM 0 HH TYR A 85 27.056 -5.050 -24.890 1.00 0.00 H new ATOM 1332 N ALA A 86 25.434 3.140 -27.937 1.00 0.00 N ATOM 1333 CA ALA A 86 25.305 4.449 -28.648 1.00 0.00 C ATOM 1334 C ALA A 86 26.365 4.521 -29.757 1.00 0.00 C ATOM 1335 O ALA A 86 27.035 3.532 -30.049 1.00 0.00 O ATOM 1336 CB ALA A 86 25.506 5.608 -27.663 1.00 0.00 C ATOM 0 H ALA A 86 25.957 3.168 -27.062 1.00 0.00 H new ATOM 0 HA ALA A 86 24.308 4.529 -29.082 1.00 0.00 H new ATOM 0 HB1 ALA A 86 25.410 6.556 -28.192 1.00 0.00 H new ATOM 0 HB2 ALA A 86 24.752 5.553 -26.877 1.00 0.00 H new ATOM 0 HB3 ALA A 86 26.499 5.540 -27.219 1.00 0.00 H new ATOM 1337 N LYS A 87 26.537 5.665 -30.385 1.00 0.00 N ATOM 1338 CA LYS A 87 27.560 5.766 -31.472 1.00 0.00 C ATOM 1339 C LYS A 87 28.949 5.955 -30.848 1.00 0.00 C ATOM 1340 O LYS A 87 29.922 5.335 -31.277 1.00 0.00 O ATOM 1341 CB LYS A 87 27.246 6.958 -32.391 1.00 0.00 C ATOM 1342 CG LYS A 87 25.769 6.916 -32.819 1.00 0.00 C ATOM 1343 CD LYS A 87 25.666 6.632 -34.321 1.00 0.00 C ATOM 1344 CE LYS A 87 25.473 7.943 -35.087 1.00 0.00 C ATOM 1345 NZ LYS A 87 26.776 8.378 -35.665 1.00 0.00 N ATOM 0 H LYS A 87 26.018 6.522 -30.192 1.00 0.00 H new ATOM 0 HA LYS A 87 27.541 4.850 -32.062 1.00 0.00 H new ATOM 0 HB2 LYS A 87 27.457 7.893 -31.872 1.00 0.00 H new ATOM 0 HB3 LYS A 87 27.889 6.929 -33.271 1.00 0.00 H new ATOM 0 HG2 LYS A 87 25.241 6.145 -32.258 1.00 0.00 H new ATOM 0 HG3 LYS A 87 25.287 7.866 -32.586 1.00 0.00 H new ATOM 0 HD2 LYS A 87 26.568 6.128 -34.667 1.00 0.00 H new ATOM 0 HD3 LYS A 87 24.830 5.960 -34.516 1.00 0.00 H new ATOM 0 HE2 LYS A 87 24.738 7.808 -35.881 1.00 0.00 H new ATOM 0 HE3 LYS A 87 25.084 8.712 -34.420 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 26.645 9.269 -36.185 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 27.465 8.523 -34.899 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 27.129 7.646 -36.314 1.00 0.00 H new ATOM 1346 N THR A 88 29.071 6.797 -29.843 1.00 0.00 N ATOM 1347 CA THR A 88 30.399 7.010 -29.207 1.00 0.00 C ATOM 1348 C THR A 88 30.306 6.718 -27.704 1.00 0.00 C ATOM 1349 O THR A 88 29.239 6.384 -27.192 1.00 0.00 O ATOM 1350 CB THR A 88 30.834 8.460 -29.419 1.00 0.00 C ATOM 1351 OG1 THR A 88 29.771 9.331 -29.059 1.00 0.00 O ATOM 1352 CG2 THR A 88 31.193 8.669 -30.887 1.00 0.00 C ATOM 0 H THR A 88 28.306 7.340 -29.443 1.00 0.00 H new ATOM 0 HA THR A 88 31.129 6.338 -29.659 1.00 0.00 H new ATOM 0 HB THR A 88 31.703 8.676 -28.798 1.00 0.00 H new ATOM 0 HG1 THR A 88 30.050 10.261 -29.193 1.00 0.00 H new ATOM 0 HG21 THR A 88 31.504 9.702 -31.042 1.00 0.00 H new ATOM 0 HG22 THR A 88 32.009 8.000 -31.161 1.00 0.00 H new ATOM 0 HG23 THR A 88 30.323 8.455 -31.508 1.00 0.00 H new ATOM 1353 N ASP A 89 31.398 6.841 -26.980 1.00 0.00 N ATOM 1354 CA ASP A 89 31.345 6.570 -25.507 1.00 0.00 C ATOM 1355 C ASP A 89 30.470 7.639 -24.836 1.00 0.00 C ATOM 1356 O ASP A 89 29.866 8.468 -25.515 1.00 0.00 O ATOM 1357 CB ASP A 89 32.757 6.609 -24.907 1.00 0.00 C ATOM 1358 CG ASP A 89 33.673 5.672 -25.696 1.00 0.00 C ATOM 1359 OD1 ASP A 89 33.390 4.486 -25.727 1.00 0.00 O ATOM 1360 OD2 ASP A 89 34.642 6.157 -26.258 1.00 0.00 O ATOM 0 H ASP A 89 32.312 7.114 -27.342 1.00 0.00 H new ATOM 0 HA ASP A 89 30.922 5.580 -25.337 1.00 0.00 H new ATOM 0 HB2 ASP A 89 33.148 7.626 -24.936 1.00 0.00 H new ATOM 0 HB3 ASP A 89 32.727 6.309 -23.860 1.00 0.00 H new ATOM 1361 N SER A 90 30.388 7.651 -23.521 1.00 0.00 N ATOM 1362 CA SER A 90 29.549 8.687 -22.844 1.00 0.00 C ATOM 1363 C SER A 90 30.451 9.842 -22.386 1.00 0.00 C ATOM 1364 O SER A 90 31.595 9.628 -21.989 1.00 0.00 O ATOM 1365 CB SER A 90 28.819 8.085 -21.636 1.00 0.00 C ATOM 1366 OG SER A 90 29.365 6.810 -21.325 1.00 0.00 O ATOM 0 H SER A 90 30.861 6.995 -22.899 1.00 0.00 H new ATOM 0 HA SER A 90 28.802 9.057 -23.546 1.00 0.00 H new ATOM 0 HB2 SER A 90 28.912 8.749 -20.777 1.00 0.00 H new ATOM 0 HB3 SER A 90 27.755 7.991 -21.853 1.00 0.00 H new ATOM 0 HG SER A 90 28.883 6.117 -21.824 1.00 0.00 H new ATOM 1367 N ASP A 91 29.971 11.066 -22.443 1.00 0.00 N ATOM 1368 CA ASP A 91 30.828 12.221 -22.024 1.00 0.00 C ATOM 1369 C ASP A 91 31.104 12.155 -20.518 1.00 0.00 C ATOM 1370 O ASP A 91 32.212 12.456 -20.075 1.00 0.00 O ATOM 1371 CB ASP A 91 30.135 13.550 -22.354 1.00 0.00 C ATOM 1372 CG ASP A 91 30.626 14.058 -23.711 1.00 0.00 C ATOM 1373 OD1 ASP A 91 31.828 14.180 -23.876 1.00 0.00 O ATOM 1374 OD2 ASP A 91 29.790 14.317 -24.561 1.00 0.00 O ATOM 0 H ASP A 91 29.032 11.311 -22.758 1.00 0.00 H new ATOM 0 HA ASP A 91 31.770 12.163 -22.569 1.00 0.00 H new ATOM 0 HB2 ASP A 91 29.054 13.413 -22.374 1.00 0.00 H new ATOM 0 HB3 ASP A 91 30.349 14.286 -21.579 1.00 0.00 H new ATOM 1375 N ILE A 92 30.135 11.781 -19.714 1.00 0.00 N ATOM 1376 CA ILE A 92 30.392 11.714 -18.244 1.00 0.00 C ATOM 1377 C ILE A 92 31.551 10.736 -17.948 1.00 0.00 C ATOM 1378 O ILE A 92 32.253 10.899 -16.956 1.00 0.00 O ATOM 1379 CB ILE A 92 29.128 11.280 -17.484 1.00 0.00 C ATOM 1380 CG1 ILE A 92 28.553 9.990 -18.089 1.00 0.00 C ATOM 1381 CG2 ILE A 92 28.080 12.392 -17.566 1.00 0.00 C ATOM 1382 CD1 ILE A 92 28.137 9.029 -16.970 1.00 0.00 C ATOM 0 H ILE A 92 29.193 11.524 -20.008 1.00 0.00 H new ATOM 0 HA ILE A 92 30.672 12.711 -17.903 1.00 0.00 H new ATOM 0 HB ILE A 92 29.390 11.093 -16.443 1.00 0.00 H new ATOM 0 HG12 ILE A 92 27.694 10.224 -18.717 1.00 0.00 H new ATOM 0 HG13 ILE A 92 29.296 9.516 -18.730 1.00 0.00 H new ATOM 0 HG21 ILE A 92 27.183 12.087 -17.028 1.00 0.00 H new ATOM 0 HG22 ILE A 92 28.479 13.302 -17.119 1.00 0.00 H new ATOM 0 HG23 ILE A 92 27.830 12.580 -18.610 1.00 0.00 H new ATOM 0 HD11 ILE A 92 27.730 8.117 -17.406 1.00 0.00 H new ATOM 0 HD12 ILE A 92 29.006 8.783 -16.360 1.00 0.00 H new ATOM 0 HD13 ILE A 92 27.378 9.503 -16.347 1.00 0.00 H new ATOM 1383 N ILE A 93 31.794 9.741 -18.785 1.00 0.00 N ATOM 1384 CA ILE A 93 32.935 8.801 -18.514 1.00 0.00 C ATOM 1385 C ILE A 93 34.254 9.507 -18.884 1.00 0.00 C ATOM 1386 O ILE A 93 35.270 9.306 -18.233 1.00 0.00 O ATOM 1387 CB ILE A 93 32.763 7.491 -19.331 1.00 0.00 C ATOM 1388 CG1 ILE A 93 31.724 6.595 -18.654 1.00 0.00 C ATOM 1389 CG2 ILE A 93 34.083 6.707 -19.408 1.00 0.00 C ATOM 1390 CD1 ILE A 93 30.373 7.301 -18.622 1.00 0.00 C ATOM 0 H ILE A 93 31.258 9.545 -19.630 1.00 0.00 H new ATOM 0 HA ILE A 93 32.951 8.533 -17.458 1.00 0.00 H new ATOM 0 HB ILE A 93 32.445 7.767 -20.336 1.00 0.00 H new ATOM 0 HG12 ILE A 93 31.638 5.651 -19.193 1.00 0.00 H new ATOM 0 HG13 ILE A 93 32.043 6.355 -17.640 1.00 0.00 H new ATOM 0 HG21 ILE A 93 33.931 5.795 -19.986 1.00 0.00 H new ATOM 0 HG22 ILE A 93 34.843 7.321 -19.891 1.00 0.00 H new ATOM 0 HG23 ILE A 93 34.412 6.448 -18.401 1.00 0.00 H new ATOM 0 HD11 ILE A 93 29.638 6.658 -18.139 1.00 0.00 H new ATOM 0 HD12 ILE A 93 30.463 8.233 -18.064 1.00 0.00 H new ATOM 0 HD13 ILE A 93 30.052 7.518 -19.641 1.00 0.00 H new