USER MOD reduce.3.24.130724 H: found=0, std=0, add=736, rem=0, adj=19 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 17 ASN : amide:sc= -1.26 K(o=-1.2,f=-5.6!) USER MOD Set 1.2: A 79 LYS NZ :NH3+ 177:sc= 0.0437 (180deg=0.0426) USER MOD Set 2.1: A 28 SER OG : rot 128:sc= 0.192 USER MOD Set 2.2: A 77 TYR OH : rot -149:sc= -2.24! USER MOD Set 3.1: A 14 ASN : amide:sc= -0.106 K(o=-1.4,f=-3.3!) USER MOD Set 3.2: A 84 GLN : amide:sc= -1.3 X(o=-1.4,f=-1.7) USER MOD Set 4.1: A 12 TYR OH : rot 40:sc= 0.392 USER MOD Set 4.2: A 50 MET CE :methyl 156:sc= -0.383 (180deg=-0.797) USER MOD Set 4.3: A 53 GLN : amide:sc= -1.66 K(o=-1.6,f=-3.4) USER MOD Single : A 8 ASN : amide:sc= -0.092 X(o=-0.092,f=-0.071) USER MOD Single : A 9 HIS : no HD1:sc= -1.33 K(o=-1.3,f=-4.1) USER MOD Single : A 10 THR OG1 : rot 70:sc= -0.603 USER MOD Single : A 15 ASN : amide:sc= -1.48 K(o=-1.5,f=-3.7!) 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+ -147:sc= -0.16 (180deg=-0.639) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 HIS : no HD1:sc= -0.0167 X(o=-0.017,f=-0.21) USER MOD Single : A 34 SER OG : rot 14:sc= 0.0154 USER MOD Single : A 38 GLN : amide:sc= 0 X(o=0,f=-0.11) USER MOD Single : A 45 SER OG : rot -169:sc= 0.00419 USER MOD Single : A 47 SER OG : rot 180:sc= 0.0961 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= -0.034 USER MOD Single : A 63 SER OG : rot 180:sc= 0.0333 USER MOD Single : A 65 THR OG1 : rot 180:sc= -0.0194 USER MOD Single : A 66 ASN : amide:sc= -0.102 X(o=-0.1,f=0.2!) USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 71 MET CE :methyl -115:sc= -0.0433 (180deg=-0.426) USER MOD Single : A 72 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 81 MET CE :methyl -176:sc= 0 (180deg=-0.0142) USER MOD Single : A 85 TYR OH : rot 180:sc= -2.35! USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 THR OG1 : rot 180:sc= 0.0114 USER MOD Single : A 90 SER OG : rot -120:sc= -3.93! USER MOD ----------------------------------------------------------------- ATOM 682 N PRO A 7 30.645 -3.834 -27.741 1.00 0.00 N ATOM 683 CA PRO A 7 30.082 -3.345 -26.471 1.00 0.00 C ATOM 684 C PRO A 7 30.648 -1.956 -26.138 1.00 0.00 C ATOM 685 O PRO A 7 31.852 -1.797 -25.944 1.00 0.00 O ATOM 686 CB PRO A 7 30.538 -4.386 -25.443 1.00 0.00 C ATOM 687 CG PRO A 7 31.777 -5.085 -26.048 1.00 0.00 C ATOM 688 CD PRO A 7 31.715 -4.851 -27.569 1.00 0.00 C ATOM 0 HA PRO A 7 28.998 -3.234 -26.497 1.00 0.00 H new ATOM 0 HB2 PRO A 7 30.785 -3.911 -24.493 1.00 0.00 H new ATOM 0 HB3 PRO A 7 29.745 -5.107 -25.242 1.00 0.00 H new ATOM 0 HG2 PRO A 7 32.696 -4.675 -25.630 1.00 0.00 H new ATOM 0 HG3 PRO A 7 31.771 -6.151 -25.819 1.00 0.00 H new ATOM 0 HD2 PRO A 7 32.669 -4.494 -27.956 1.00 0.00 H new ATOM 0 HD3 PRO A 7 31.479 -5.771 -28.104 1.00 0.00 H new ATOM 689 N ASN A 8 29.810 -0.943 -26.072 1.00 0.00 N ATOM 690 CA ASN A 8 30.318 0.422 -25.758 1.00 0.00 C ATOM 691 C ASN A 8 30.022 0.758 -24.288 1.00 0.00 C ATOM 692 O ASN A 8 29.573 -0.096 -23.524 1.00 0.00 O ATOM 693 CB ASN A 8 29.625 1.443 -26.665 1.00 0.00 C ATOM 694 CG ASN A 8 30.652 2.468 -27.163 1.00 0.00 C ATOM 695 OD1 ASN A 8 31.596 2.112 -27.865 1.00 0.00 O ATOM 696 ND2 ASN A 8 30.524 3.732 -26.840 1.00 0.00 N ATOM 0 H ASN A 8 28.803 -1.009 -26.222 1.00 0.00 H new ATOM 0 HA ASN A 8 31.394 0.456 -25.926 1.00 0.00 H new ATOM 0 HB2 ASN A 8 29.161 0.937 -27.512 1.00 0.00 H new ATOM 0 HB3 ASN A 8 28.828 1.947 -26.119 1.00 0.00 H new ATOM 0 HD21 ASN A 8 31.206 4.415 -27.171 1.00 0.00 H new ATOM 0 HD22 ASN A 8 29.742 4.033 -26.258 1.00 0.00 H new ATOM 697 N HIS A 9 30.260 1.983 -23.873 1.00 0.00 N ATOM 698 CA HIS A 9 29.985 2.355 -22.449 1.00 0.00 C ATOM 699 C HIS A 9 28.510 2.765 -22.295 1.00 0.00 C ATOM 700 O HIS A 9 27.878 2.463 -21.284 1.00 0.00 O ATOM 701 CB HIS A 9 30.882 3.530 -22.035 1.00 0.00 C ATOM 702 CG HIS A 9 31.223 3.419 -20.574 1.00 0.00 C ATOM 703 ND1 HIS A 9 32.510 3.142 -20.136 1.00 0.00 N ATOM 704 CD2 HIS A 9 30.461 3.548 -19.440 1.00 0.00 C ATOM 705 CE1 HIS A 9 32.482 3.115 -18.791 1.00 0.00 C ATOM 706 NE2 HIS A 9 31.258 3.356 -18.315 1.00 0.00 N ATOM 0 H HIS A 9 30.630 2.734 -24.455 1.00 0.00 H new ATOM 0 HA HIS A 9 30.194 1.496 -21.812 1.00 0.00 H new ATOM 0 HB2 HIS A 9 31.794 3.531 -22.632 1.00 0.00 H new ATOM 0 HB3 HIS A 9 30.373 4.474 -22.229 1.00 0.00 H new ATOM 0 HD2 HIS A 9 29.403 3.766 -19.423 1.00 0.00 H new ATOM 0 HE1 HIS A 9 33.345 2.922 -18.171 1.00 0.00 H new ATOM 0 HE2 HIS A 9 30.969 3.392 -17.337 1.00 0.00 H new ATOM 707 N THR A 10 27.947 3.453 -23.266 1.00 0.00 N ATOM 708 CA THR A 10 26.523 3.879 -23.147 1.00 0.00 C ATOM 709 C THR A 10 25.638 3.037 -24.083 1.00 0.00 C ATOM 710 O THR A 10 26.106 2.509 -25.090 1.00 0.00 O ATOM 711 CB THR A 10 26.411 5.358 -23.542 1.00 0.00 C ATOM 712 OG1 THR A 10 27.199 6.144 -22.657 1.00 0.00 O ATOM 713 CG2 THR A 10 24.950 5.815 -23.465 1.00 0.00 C ATOM 0 H THR A 10 28.414 3.733 -24.128 1.00 0.00 H new ATOM 0 HA THR A 10 26.189 3.737 -22.119 1.00 0.00 H new ATOM 0 HB THR A 10 26.769 5.482 -24.564 1.00 0.00 H new ATOM 0 HG1 THR A 10 28.149 5.973 -22.825 1.00 0.00 H new ATOM 0 HG21 THR A 10 24.882 6.866 -23.747 1.00 0.00 H new ATOM 0 HG22 THR A 10 24.345 5.216 -24.146 1.00 0.00 H new ATOM 0 HG23 THR A 10 24.582 5.688 -22.447 1.00 0.00 H new ATOM 714 N ILE A 11 24.360 2.925 -23.784 1.00 0.00 N ATOM 715 CA ILE A 11 23.450 2.152 -24.670 1.00 0.00 C ATOM 716 C ILE A 11 22.406 3.122 -25.248 1.00 0.00 C ATOM 717 O ILE A 11 22.215 4.222 -24.724 1.00 0.00 O ATOM 718 CB ILE A 11 22.760 1.036 -23.876 1.00 0.00 C ATOM 719 CG1 ILE A 11 21.982 1.640 -22.702 1.00 0.00 C ATOM 720 CG2 ILE A 11 23.817 0.064 -23.343 1.00 0.00 C ATOM 721 CD1 ILE A 11 20.675 0.868 -22.501 1.00 0.00 C ATOM 0 H ILE A 11 23.917 3.338 -22.963 1.00 0.00 H new ATOM 0 HA ILE A 11 24.016 1.689 -25.478 1.00 0.00 H new ATOM 0 HB ILE A 11 22.068 0.503 -24.528 1.00 0.00 H new ATOM 0 HG12 ILE A 11 22.584 1.599 -21.794 1.00 0.00 H new ATOM 0 HG13 ILE A 11 21.769 2.691 -22.896 1.00 0.00 H new ATOM 0 HG21 ILE A 11 23.329 -0.730 -22.778 1.00 0.00 H new ATOM 0 HG22 ILE A 11 24.367 -0.370 -24.178 1.00 0.00 H new ATOM 0 HG23 ILE A 11 24.509 0.599 -22.693 1.00 0.00 H new ATOM 0 HD11 ILE A 11 20.123 1.299 -21.666 1.00 0.00 H new ATOM 0 HD12 ILE A 11 20.072 0.932 -23.406 1.00 0.00 H new ATOM 0 HD13 ILE A 11 20.899 -0.177 -22.287 1.00 0.00 H new ATOM 722 N TYR A 12 21.744 2.760 -26.323 1.00 0.00 N ATOM 723 CA TYR A 12 20.744 3.686 -26.934 1.00 0.00 C ATOM 724 C TYR A 12 19.438 2.920 -27.228 1.00 0.00 C ATOM 725 O TYR A 12 19.466 1.791 -27.710 1.00 0.00 O ATOM 726 CB TYR A 12 21.354 4.247 -28.232 1.00 0.00 C ATOM 727 CG TYR A 12 20.312 4.957 -29.070 1.00 0.00 C ATOM 728 CD1 TYR A 12 19.614 6.054 -28.551 1.00 0.00 C ATOM 729 CD2 TYR A 12 20.054 4.514 -30.371 1.00 0.00 C ATOM 730 CE1 TYR A 12 18.656 6.707 -29.337 1.00 0.00 C ATOM 731 CE2 TYR A 12 19.097 5.164 -31.155 1.00 0.00 C ATOM 732 CZ TYR A 12 18.396 6.262 -30.639 1.00 0.00 C ATOM 733 OH TYR A 12 17.449 6.905 -31.413 1.00 0.00 O ATOM 0 H TYR A 12 21.855 1.865 -26.800 1.00 0.00 H new ATOM 0 HA TYR A 12 20.506 4.505 -26.255 1.00 0.00 H new ATOM 0 HB2 TYR A 12 22.160 4.939 -27.988 1.00 0.00 H new ATOM 0 HB3 TYR A 12 21.796 3.435 -28.809 1.00 0.00 H new ATOM 0 HD1 TYR A 12 19.814 6.396 -27.546 1.00 0.00 H new ATOM 0 HD2 TYR A 12 20.595 3.669 -30.770 1.00 0.00 H new ATOM 0 HE1 TYR A 12 18.118 7.554 -28.939 1.00 0.00 H new ATOM 0 HE2 TYR A 12 18.898 4.820 -32.159 1.00 0.00 H new ATOM 0 HH TYR A 12 17.515 7.873 -31.273 1.00 0.00 H new ATOM 734 N ILE A 13 18.293 3.512 -26.950 1.00 0.00 N ATOM 735 CA ILE A 13 17.003 2.811 -27.221 1.00 0.00 C ATOM 736 C ILE A 13 16.083 3.723 -28.047 1.00 0.00 C ATOM 737 O ILE A 13 15.991 4.921 -27.789 1.00 0.00 O ATOM 738 CB ILE A 13 16.315 2.473 -25.896 1.00 0.00 C ATOM 739 CG1 ILE A 13 17.293 1.724 -24.971 1.00 0.00 C ATOM 740 CG2 ILE A 13 15.091 1.595 -26.173 1.00 0.00 C ATOM 741 CD1 ILE A 13 17.362 2.429 -23.615 1.00 0.00 C ATOM 0 H ILE A 13 18.203 4.446 -26.549 1.00 0.00 H new ATOM 0 HA ILE A 13 17.203 1.894 -27.775 1.00 0.00 H new ATOM 0 HB ILE A 13 16.002 3.395 -25.406 1.00 0.00 H new ATOM 0 HG12 ILE A 13 16.966 0.692 -24.839 1.00 0.00 H new ATOM 0 HG13 ILE A 13 18.284 1.689 -25.425 1.00 0.00 H new ATOM 0 HG21 ILE A 13 14.597 1.351 -25.232 1.00 0.00 H new ATOM 0 HG22 ILE A 13 14.396 2.132 -26.819 1.00 0.00 H new ATOM 0 HG23 ILE A 13 15.407 0.675 -26.666 1.00 0.00 H new ATOM 0 HD11 ILE A 13 18.055 1.897 -22.963 1.00 0.00 H new ATOM 0 HD12 ILE A 13 17.709 3.453 -23.754 1.00 0.00 H new ATOM 0 HD13 ILE A 13 16.372 2.440 -23.160 1.00 0.00 H new ATOM 742 N ASN A 14 15.393 3.185 -29.033 1.00 0.00 N ATOM 743 CA ASN A 14 14.482 4.036 -29.853 1.00 0.00 C ATOM 744 C ASN A 14 13.141 3.303 -30.049 1.00 0.00 C ATOM 745 O ASN A 14 12.896 2.269 -29.428 1.00 0.00 O ATOM 746 CB ASN A 14 15.138 4.329 -31.214 1.00 0.00 C ATOM 747 CG ASN A 14 15.238 3.044 -32.050 1.00 0.00 C ATOM 748 OD1 ASN A 14 15.816 2.055 -31.603 1.00 0.00 O ATOM 749 ND2 ASN A 14 14.705 3.000 -33.248 1.00 0.00 N ATOM 0 H ASN A 14 15.425 2.201 -29.298 1.00 0.00 H new ATOM 0 HA ASN A 14 14.298 4.981 -29.343 1.00 0.00 H new ATOM 0 HB2 ASN A 14 14.555 5.076 -31.752 1.00 0.00 H new ATOM 0 HB3 ASN A 14 16.132 4.750 -31.062 1.00 0.00 H new ATOM 0 HD21 ASN A 14 14.771 2.148 -33.805 1.00 0.00 H new ATOM 0 HD22 ASN A 14 14.225 3.818 -33.623 1.00 0.00 H new ATOM 750 N ASN A 15 12.266 3.808 -30.894 1.00 0.00 N ATOM 751 CA ASN A 15 10.958 3.125 -31.106 1.00 0.00 C ATOM 752 C ASN A 15 10.199 3.050 -29.773 1.00 0.00 C ATOM 753 O ASN A 15 9.675 2.001 -29.402 1.00 0.00 O ATOM 754 CB ASN A 15 11.200 1.708 -31.638 1.00 0.00 C ATOM 755 CG ASN A 15 9.880 1.116 -32.147 1.00 0.00 C ATOM 756 OD1 ASN A 15 8.815 1.426 -31.618 1.00 0.00 O ATOM 757 ND2 ASN A 15 9.885 0.274 -33.153 1.00 0.00 N ATOM 0 H ASN A 15 12.406 4.658 -31.439 1.00 0.00 H new ATOM 0 HA ASN A 15 10.368 3.687 -31.830 1.00 0.00 H new ATOM 0 HB2 ASN A 15 11.934 1.732 -32.444 1.00 0.00 H new ATOM 0 HB3 ASN A 15 11.612 1.078 -30.850 1.00 0.00 H new ATOM 0 HD21 ASN A 15 9.008 -0.120 -33.493 1.00 0.00 H new ATOM 0 HD22 ASN A 15 10.766 0.013 -33.596 1.00 0.00 H new ATOM 758 N LEU A 16 10.126 4.141 -29.039 1.00 0.00 N ATOM 759 CA LEU A 16 9.399 4.114 -27.736 1.00 0.00 C ATOM 760 C LEU A 16 8.005 4.735 -27.916 1.00 0.00 C ATOM 761 O LEU A 16 7.626 5.118 -29.022 1.00 0.00 O ATOM 762 CB LEU A 16 10.194 4.910 -26.697 1.00 0.00 C ATOM 763 CG LEU A 16 11.085 3.955 -25.887 1.00 0.00 C ATOM 764 CD1 LEU A 16 12.459 4.595 -25.664 1.00 0.00 C ATOM 765 CD2 LEU A 16 10.430 3.671 -24.531 1.00 0.00 C ATOM 0 H LEU A 16 10.537 5.040 -29.289 1.00 0.00 H new ATOM 0 HA LEU A 16 9.291 3.084 -27.395 1.00 0.00 H new ATOM 0 HB2 LEU A 16 10.807 5.663 -27.192 1.00 0.00 H new ATOM 0 HB3 LEU A 16 9.513 5.440 -26.031 1.00 0.00 H new ATOM 0 HG LEU A 16 11.206 3.022 -26.437 1.00 0.00 H new ATOM 0 HD11 LEU A 16 13.088 3.915 -25.089 1.00 0.00 H new ATOM 0 HD12 LEU A 16 12.927 4.796 -26.627 1.00 0.00 H new ATOM 0 HD13 LEU A 16 12.340 5.530 -25.116 1.00 0.00 H new ATOM 0 HD21 LEU A 16 11.062 2.994 -23.956 1.00 0.00 H new ATOM 0 HD22 LEU A 16 10.308 4.605 -23.983 1.00 0.00 H new ATOM 0 HD23 LEU A 16 9.454 3.212 -24.687 1.00 0.00 H new ATOM 766 N ASN A 17 7.227 4.846 -26.859 1.00 0.00 N ATOM 767 CA ASN A 17 5.861 5.444 -27.001 1.00 0.00 C ATOM 768 C ASN A 17 5.980 6.969 -27.109 1.00 0.00 C ATOM 769 O ASN A 17 6.935 7.565 -26.615 1.00 0.00 O ATOM 770 CB ASN A 17 4.993 5.088 -25.784 1.00 0.00 C ATOM 771 CG ASN A 17 4.136 3.854 -26.100 1.00 0.00 C ATOM 772 OD1 ASN A 17 4.134 3.365 -27.228 1.00 0.00 O ATOM 773 ND2 ASN A 17 3.397 3.317 -25.158 1.00 0.00 N ATOM 0 H ASN A 17 7.478 4.551 -25.915 1.00 0.00 H new ATOM 0 HA ASN A 17 5.393 5.043 -27.900 1.00 0.00 H new ATOM 0 HB2 ASN A 17 5.626 4.890 -24.919 1.00 0.00 H new ATOM 0 HB3 ASN A 17 4.352 5.930 -25.524 1.00 0.00 H new ATOM 0 HD21 ASN A 17 2.825 2.498 -25.363 1.00 0.00 H new ATOM 0 HD22 ASN A 17 3.395 3.719 -24.220 1.00 0.00 H new ATOM 774 N GLU A 18 5.030 7.616 -27.748 1.00 0.00 N ATOM 775 CA GLU A 18 5.102 9.099 -27.882 1.00 0.00 C ATOM 776 C GLU A 18 4.118 9.759 -26.902 1.00 0.00 C ATOM 777 O GLU A 18 3.465 10.746 -27.238 1.00 0.00 O ATOM 778 CB GLU A 18 4.736 9.493 -29.313 1.00 0.00 C ATOM 779 CG GLU A 18 5.982 9.414 -30.198 1.00 0.00 C ATOM 780 CD GLU A 18 5.566 9.417 -31.670 1.00 0.00 C ATOM 781 OE1 GLU A 18 4.798 10.287 -32.047 1.00 0.00 O ATOM 782 OE2 GLU A 18 6.021 8.548 -32.396 1.00 0.00 O ATOM 0 H GLU A 18 4.215 7.179 -28.178 1.00 0.00 H new ATOM 0 HA GLU A 18 6.114 9.435 -27.654 1.00 0.00 H new ATOM 0 HB2 GLU A 18 3.961 8.830 -29.697 1.00 0.00 H new ATOM 0 HB3 GLU A 18 4.328 10.504 -29.330 1.00 0.00 H new ATOM 0 HG2 GLU A 18 6.640 10.259 -29.994 1.00 0.00 H new ATOM 0 HG3 GLU A 18 6.545 8.509 -29.971 1.00 0.00 H new ATOM 783 N LYS A 19 3.997 9.245 -25.695 1.00 0.00 N ATOM 784 CA LYS A 19 3.056 9.864 -24.713 1.00 0.00 C ATOM 785 C LYS A 19 3.555 9.610 -23.279 1.00 0.00 C ATOM 786 O LYS A 19 2.761 9.376 -22.370 1.00 0.00 O ATOM 787 CB LYS A 19 1.665 9.253 -24.883 1.00 0.00 C ATOM 788 CG LYS A 19 1.211 9.411 -26.335 1.00 0.00 C ATOM 789 CD LYS A 19 -0.266 9.032 -26.454 1.00 0.00 C ATOM 790 CE LYS A 19 -1.133 10.261 -26.171 1.00 0.00 C ATOM 791 NZ LYS A 19 -2.531 9.992 -26.610 1.00 0.00 N ATOM 0 H LYS A 19 4.507 8.430 -25.355 1.00 0.00 H new ATOM 0 HA LYS A 19 3.008 10.938 -24.892 1.00 0.00 H new ATOM 0 HB2 LYS A 19 1.684 8.198 -24.610 1.00 0.00 H new ATOM 0 HB3 LYS A 19 0.957 9.743 -24.214 1.00 0.00 H new ATOM 0 HG2 LYS A 19 1.361 10.439 -26.664 1.00 0.00 H new ATOM 0 HG3 LYS A 19 1.813 8.777 -26.986 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -0.475 8.649 -27.453 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -0.506 8.235 -25.750 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -1.113 10.496 -25.107 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -0.736 11.129 -26.697 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -3.122 10.826 -26.418 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -2.541 9.787 -27.630 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -2.907 9.174 -26.089 1.00 0.00 H new ATOM 792 N ILE A 20 4.852 9.640 -23.056 1.00 0.00 N ATOM 793 CA ILE A 20 5.382 9.390 -21.688 1.00 0.00 C ATOM 794 C ILE A 20 5.986 10.669 -21.125 1.00 0.00 C ATOM 795 O ILE A 20 6.388 11.560 -21.874 1.00 0.00 O ATOM 796 CB ILE A 20 6.481 8.335 -21.761 1.00 0.00 C ATOM 797 CG1 ILE A 20 5.948 7.092 -22.480 1.00 0.00 C ATOM 798 CG2 ILE A 20 6.941 7.962 -20.347 1.00 0.00 C ATOM 799 CD1 ILE A 20 6.972 6.626 -23.510 1.00 0.00 C ATOM 0 H ILE A 20 5.559 9.827 -23.767 1.00 0.00 H new ATOM 0 HA ILE A 20 4.567 9.051 -21.048 1.00 0.00 H new ATOM 0 HB ILE A 20 7.330 8.736 -22.314 1.00 0.00 H new ATOM 0 HG12 ILE A 20 5.752 6.297 -21.760 1.00 0.00 H new ATOM 0 HG13 ILE A 20 5.001 7.319 -22.969 1.00 0.00 H new ATOM 0 HG21 ILE A 20 7.726 7.208 -20.407 1.00 0.00 H new ATOM 0 HG22 ILE A 20 7.327 8.849 -19.844 1.00 0.00 H new ATOM 0 HG23 ILE A 20 6.097 7.564 -19.783 1.00 0.00 H new ATOM 0 HD11 ILE A 20 6.595 5.741 -24.023 1.00 0.00 H new ATOM 0 HD12 ILE A 20 7.145 7.420 -24.236 1.00 0.00 H new ATOM 0 HD13 ILE A 20 7.908 6.383 -23.008 1.00 0.00 H new ATOM 800 N LYS A 21 6.079 10.776 -19.822 1.00 0.00 N ATOM 801 CA LYS A 21 6.681 11.997 -19.240 1.00 0.00 C ATOM 802 C LYS A 21 8.187 11.770 -19.055 1.00 0.00 C ATOM 803 O LYS A 21 8.702 10.698 -19.370 1.00 0.00 O ATOM 804 CB LYS A 21 6.027 12.320 -17.892 1.00 0.00 C ATOM 805 CG LYS A 21 4.609 12.846 -18.123 1.00 0.00 C ATOM 806 CD LYS A 21 4.056 13.416 -16.815 1.00 0.00 C ATOM 807 CE LYS A 21 2.527 13.422 -16.864 1.00 0.00 C ATOM 808 NZ LYS A 21 1.986 13.510 -15.478 1.00 0.00 N ATOM 0 H LYS A 21 5.766 10.075 -19.150 1.00 0.00 H new ATOM 0 HA LYS A 21 6.517 12.840 -19.911 1.00 0.00 H new ATOM 0 HB2 LYS A 21 5.997 11.427 -17.267 1.00 0.00 H new ATOM 0 HB3 LYS A 21 6.619 13.063 -17.358 1.00 0.00 H new ATOM 0 HG2 LYS A 21 4.617 13.617 -18.893 1.00 0.00 H new ATOM 0 HG3 LYS A 21 3.966 12.043 -18.483 1.00 0.00 H new ATOM 0 HD2 LYS A 21 4.401 12.818 -15.971 1.00 0.00 H new ATOM 0 HD3 LYS A 21 4.429 14.429 -16.661 1.00 0.00 H new ATOM 0 HE2 LYS A 21 2.175 14.266 -17.458 1.00 0.00 H new ATOM 0 HE3 LYS A 21 2.164 12.516 -17.351 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 0.947 13.514 -15.511 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 2.312 12.691 -14.926 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 2.322 14.386 -15.029 1.00 0.00 H new ATOM 809 N LYS A 22 8.910 12.746 -18.555 1.00 0.00 N ATOM 810 CA LYS A 22 10.385 12.555 -18.363 1.00 0.00 C ATOM 811 C LYS A 22 10.642 11.806 -17.054 1.00 0.00 C ATOM 812 O LYS A 22 11.540 10.973 -16.978 1.00 0.00 O ATOM 813 CB LYS A 22 11.088 13.911 -18.307 1.00 0.00 C ATOM 814 CG LYS A 22 11.089 14.548 -19.699 1.00 0.00 C ATOM 815 CD LYS A 22 9.772 15.296 -19.922 1.00 0.00 C ATOM 816 CE LYS A 22 9.941 16.299 -21.066 1.00 0.00 C ATOM 817 NZ LYS A 22 10.446 17.592 -20.523 1.00 0.00 N ATOM 0 H LYS A 22 8.548 13.657 -18.274 1.00 0.00 H new ATOM 0 HA LYS A 22 10.775 11.979 -19.202 1.00 0.00 H new ATOM 0 HB2 LYS A 22 10.582 14.565 -17.597 1.00 0.00 H new ATOM 0 HB3 LYS A 22 12.111 13.787 -17.952 1.00 0.00 H new ATOM 0 HG2 LYS A 22 11.930 15.235 -19.795 1.00 0.00 H new ATOM 0 HG3 LYS A 22 11.216 13.780 -20.462 1.00 0.00 H new ATOM 0 HD2 LYS A 22 8.976 14.590 -20.158 1.00 0.00 H new ATOM 0 HD3 LYS A 22 9.477 15.815 -19.010 1.00 0.00 H new ATOM 0 HE2 LYS A 22 10.637 15.907 -21.808 1.00 0.00 H new ATOM 0 HE3 LYS A 22 8.988 16.453 -21.573 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 10.561 18.274 -21.300 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 9.766 17.967 -19.831 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 11.364 17.439 -20.058 1.00 0.00 H new ATOM 818 N ASP A 23 9.875 12.070 -16.024 1.00 0.00 N ATOM 819 CA ASP A 23 10.087 11.341 -14.739 1.00 0.00 C ATOM 820 C ASP A 23 9.551 9.901 -14.864 1.00 0.00 C ATOM 821 O ASP A 23 9.901 9.037 -14.061 1.00 0.00 O ATOM 822 CB ASP A 23 9.359 12.062 -13.594 1.00 0.00 C ATOM 823 CG ASP A 23 7.854 12.094 -13.878 1.00 0.00 C ATOM 824 OD1 ASP A 23 7.231 11.050 -13.778 1.00 0.00 O ATOM 825 OD2 ASP A 23 7.352 13.161 -14.190 1.00 0.00 O ATOM 0 H ASP A 23 9.118 12.753 -16.019 1.00 0.00 H new ATOM 0 HA ASP A 23 11.155 11.315 -14.521 1.00 0.00 H new ATOM 0 HB2 ASP A 23 9.550 11.551 -12.650 1.00 0.00 H new ATOM 0 HB3 ASP A 23 9.741 13.078 -13.490 1.00 0.00 H new ATOM 826 N GLU A 24 8.702 9.611 -15.839 1.00 0.00 N ATOM 827 CA GLU A 24 8.171 8.225 -15.962 1.00 0.00 C ATOM 828 C GLU A 24 9.137 7.356 -16.779 1.00 0.00 C ATOM 829 O GLU A 24 9.417 6.217 -16.407 1.00 0.00 O ATOM 830 CB GLU A 24 6.798 8.242 -16.646 1.00 0.00 C ATOM 831 CG GLU A 24 5.945 7.091 -16.110 1.00 0.00 C ATOM 832 CD GLU A 24 5.193 7.552 -14.861 1.00 0.00 C ATOM 833 OE1 GLU A 24 4.199 8.243 -15.014 1.00 0.00 O ATOM 834 OE2 GLU A 24 5.623 7.207 -13.773 1.00 0.00 O ATOM 0 H GLU A 24 8.366 10.272 -16.539 1.00 0.00 H new ATOM 0 HA GLU A 24 8.069 7.805 -14.961 1.00 0.00 H new ATOM 0 HB2 GLU A 24 6.300 9.194 -16.462 1.00 0.00 H new ATOM 0 HB3 GLU A 24 6.917 8.148 -17.725 1.00 0.00 H new ATOM 0 HG2 GLU A 24 5.238 6.762 -16.872 1.00 0.00 H new ATOM 0 HG3 GLU A 24 6.578 6.236 -15.872 1.00 0.00 H new ATOM 835 N LEU A 25 9.654 7.852 -17.885 1.00 0.00 N ATOM 836 CA LEU A 25 10.598 7.011 -18.695 1.00 0.00 C ATOM 837 C LEU A 25 11.934 6.845 -17.951 1.00 0.00 C ATOM 838 O LEU A 25 12.577 5.803 -18.055 1.00 0.00 O ATOM 839 CB LEU A 25 10.850 7.660 -20.063 1.00 0.00 C ATOM 840 CG LEU A 25 11.115 6.571 -21.106 1.00 0.00 C ATOM 841 CD1 LEU A 25 9.850 5.722 -21.309 1.00 0.00 C ATOM 842 CD2 LEU A 25 11.514 7.227 -22.432 1.00 0.00 C ATOM 0 H LEU A 25 9.467 8.784 -18.255 1.00 0.00 H new ATOM 0 HA LEU A 25 10.145 6.031 -18.843 1.00 0.00 H new ATOM 0 HB2 LEU A 25 9.988 8.258 -20.358 1.00 0.00 H new ATOM 0 HB3 LEU A 25 11.702 8.337 -20.004 1.00 0.00 H new ATOM 0 HG LEU A 25 11.923 5.927 -20.759 1.00 0.00 H new ATOM 0 HD11 LEU A 25 10.046 4.949 -22.052 1.00 0.00 H new ATOM 0 HD12 LEU A 25 9.570 5.255 -20.365 1.00 0.00 H new ATOM 0 HD13 LEU A 25 9.036 6.359 -21.654 1.00 0.00 H new ATOM 0 HD21 LEU A 25 11.704 6.455 -23.177 1.00 0.00 H new ATOM 0 HD22 LEU A 25 10.706 7.873 -22.776 1.00 0.00 H new ATOM 0 HD23 LEU A 25 12.417 7.821 -22.287 1.00 0.00 H new ATOM 843 N LYS A 26 12.368 7.833 -17.199 1.00 0.00 N ATOM 844 CA LYS A 26 13.661 7.690 -16.456 1.00 0.00 C ATOM 845 C LYS A 26 13.464 6.757 -15.248 1.00 0.00 C ATOM 846 O LYS A 26 14.374 6.021 -14.874 1.00 0.00 O ATOM 847 CB LYS A 26 14.149 9.060 -15.967 1.00 0.00 C ATOM 848 CG LYS A 26 15.627 8.968 -15.582 1.00 0.00 C ATOM 849 CD LYS A 26 15.913 9.914 -14.414 1.00 0.00 C ATOM 850 CE LYS A 26 15.820 9.141 -13.096 1.00 0.00 C ATOM 851 NZ LYS A 26 14.394 9.055 -12.671 1.00 0.00 N ATOM 0 H LYS A 26 11.887 8.723 -17.069 1.00 0.00 H new ATOM 0 HA LYS A 26 14.407 7.267 -17.129 1.00 0.00 H new ATOM 0 HB2 LYS A 26 14.012 9.807 -16.749 1.00 0.00 H new ATOM 0 HB3 LYS A 26 13.558 9.384 -15.110 1.00 0.00 H new ATOM 0 HG2 LYS A 26 15.878 7.944 -15.304 1.00 0.00 H new ATOM 0 HG3 LYS A 26 16.253 9.229 -16.436 1.00 0.00 H new ATOM 0 HD2 LYS A 26 16.905 10.352 -14.522 1.00 0.00 H new ATOM 0 HD3 LYS A 26 15.199 10.738 -14.416 1.00 0.00 H new ATOM 0 HE2 LYS A 26 16.235 8.141 -13.218 1.00 0.00 H new ATOM 0 HE3 LYS A 26 16.411 9.639 -12.327 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 14.340 9.068 -11.632 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 13.868 9.865 -13.055 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 13.978 8.171 -13.028 1.00 0.00 H new ATOM 852 N LYS A 27 12.302 6.768 -14.620 1.00 0.00 N ATOM 853 CA LYS A 27 12.090 5.869 -13.439 1.00 0.00 C ATOM 854 C LYS A 27 12.067 4.397 -13.889 1.00 0.00 C ATOM 855 O LYS A 27 12.519 3.516 -13.157 1.00 0.00 O ATOM 856 CB LYS A 27 10.761 6.203 -12.747 1.00 0.00 C ATOM 857 CG LYS A 27 11.015 7.189 -11.604 1.00 0.00 C ATOM 858 CD LYS A 27 10.033 6.912 -10.464 1.00 0.00 C ATOM 859 CE LYS A 27 10.620 7.428 -9.148 1.00 0.00 C ATOM 860 NZ LYS A 27 10.143 6.576 -8.023 1.00 0.00 N ATOM 0 H LYS A 27 11.506 7.353 -14.873 1.00 0.00 H new ATOM 0 HA LYS A 27 12.912 6.024 -12.740 1.00 0.00 H new ATOM 0 HB2 LYS A 27 10.063 6.634 -13.465 1.00 0.00 H new ATOM 0 HB3 LYS A 27 10.301 5.293 -12.361 1.00 0.00 H new ATOM 0 HG2 LYS A 27 12.040 7.092 -11.247 1.00 0.00 H new ATOM 0 HG3 LYS A 27 10.897 8.213 -11.959 1.00 0.00 H new ATOM 0 HD2 LYS A 27 9.079 7.400 -10.665 1.00 0.00 H new ATOM 0 HD3 LYS A 27 9.835 5.843 -10.392 1.00 0.00 H new ATOM 0 HE2 LYS A 27 11.709 7.413 -9.193 1.00 0.00 H new ATOM 0 HE3 LYS A 27 10.322 8.464 -8.986 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 10.542 6.927 -7.129 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 9.105 6.612 -7.977 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 10.449 5.594 -8.177 1.00 0.00 H new ATOM 861 N SER A 28 11.552 4.097 -15.066 1.00 0.00 N ATOM 862 CA SER A 28 11.520 2.666 -15.515 1.00 0.00 C ATOM 863 C SER A 28 12.930 2.217 -15.928 1.00 0.00 C ATOM 864 O SER A 28 13.339 1.094 -15.640 1.00 0.00 O ATOM 865 CB SER A 28 10.568 2.505 -16.707 1.00 0.00 C ATOM 866 OG SER A 28 9.226 2.512 -16.241 1.00 0.00 O ATOM 0 H SER A 28 11.159 4.771 -15.723 1.00 0.00 H new ATOM 0 HA SER A 28 11.167 2.049 -14.688 1.00 0.00 H new ATOM 0 HB2 SER A 28 10.721 3.314 -17.421 1.00 0.00 H new ATOM 0 HB3 SER A 28 10.778 1.573 -17.231 1.00 0.00 H new ATOM 0 HG SER A 28 8.707 3.171 -16.748 1.00 0.00 H new ATOM 867 N LEU A 29 13.684 3.061 -16.598 1.00 0.00 N ATOM 868 CA LEU A 29 15.066 2.655 -17.020 1.00 0.00 C ATOM 869 C LEU A 29 15.962 2.420 -15.790 1.00 0.00 C ATOM 870 O LEU A 29 16.882 1.608 -15.838 1.00 0.00 O ATOM 871 CB LEU A 29 15.696 3.743 -17.901 1.00 0.00 C ATOM 872 CG LEU A 29 14.850 3.939 -19.160 1.00 0.00 C ATOM 873 CD1 LEU A 29 14.996 5.379 -19.655 1.00 0.00 C ATOM 874 CD2 LEU A 29 15.328 2.978 -20.250 1.00 0.00 C ATOM 0 H LEU A 29 13.405 4.004 -16.868 1.00 0.00 H new ATOM 0 HA LEU A 29 14.986 1.728 -17.588 1.00 0.00 H new ATOM 0 HB2 LEU A 29 15.764 4.679 -17.347 1.00 0.00 H new ATOM 0 HB3 LEU A 29 16.713 3.460 -18.174 1.00 0.00 H new ATOM 0 HG LEU A 29 13.804 3.738 -18.928 1.00 0.00 H new ATOM 0 HD11 LEU A 29 14.393 5.518 -20.552 1.00 0.00 H new ATOM 0 HD12 LEU A 29 14.657 6.066 -18.880 1.00 0.00 H new ATOM 0 HD13 LEU A 29 16.042 5.580 -19.886 1.00 0.00 H new ATOM 0 HD21 LEU A 29 14.725 3.117 -21.148 1.00 0.00 H new ATOM 0 HD22 LEU A 29 16.374 3.180 -20.480 1.00 0.00 H new ATOM 0 HD23 LEU A 29 15.226 1.951 -19.900 1.00 0.00 H new ATOM 875 N HIS A 30 15.732 3.110 -14.694 1.00 0.00 N ATOM 876 CA HIS A 30 16.603 2.901 -13.489 1.00 0.00 C ATOM 877 C HIS A 30 16.217 1.607 -12.741 1.00 0.00 C ATOM 878 O HIS A 30 17.043 1.034 -12.033 1.00 0.00 O ATOM 879 CB HIS A 30 16.469 4.092 -12.530 1.00 0.00 C ATOM 880 CG HIS A 30 17.751 4.265 -11.765 1.00 0.00 C ATOM 881 ND1 HIS A 30 18.049 3.511 -10.640 1.00 0.00 N ATOM 882 CD2 HIS A 30 18.824 5.101 -11.950 1.00 0.00 C ATOM 883 CE1 HIS A 30 19.257 3.905 -10.196 1.00 0.00 C ATOM 884 NE2 HIS A 30 19.774 4.872 -10.957 1.00 0.00 N ATOM 0 H HIS A 30 14.989 3.800 -14.582 1.00 0.00 H new ATOM 0 HA HIS A 30 17.633 2.815 -13.834 1.00 0.00 H new ATOM 0 HB2 HIS A 30 16.241 4.999 -13.089 1.00 0.00 H new ATOM 0 HB3 HIS A 30 15.641 3.926 -11.841 1.00 0.00 H new ATOM 0 HD2 HIS A 30 18.918 5.826 -12.745 1.00 0.00 H new ATOM 0 HE1 HIS A 30 19.748 3.489 -9.329 1.00 0.00 H new ATOM 0 HE2 HIS A 30 20.671 5.342 -10.837 1.00 0.00 H new ATOM 885 N ALA A 31 14.992 1.135 -12.859 1.00 0.00 N ATOM 886 CA ALA A 31 14.606 -0.113 -12.123 1.00 0.00 C ATOM 887 C ALA A 31 15.083 -1.359 -12.889 1.00 0.00 C ATOM 888 O ALA A 31 15.496 -2.345 -12.278 1.00 0.00 O ATOM 889 CB ALA A 31 13.082 -0.175 -11.959 1.00 0.00 C ATOM 0 H ALA A 31 14.255 1.555 -13.425 1.00 0.00 H new ATOM 0 HA ALA A 31 15.080 -0.093 -11.142 1.00 0.00 H new ATOM 0 HB1 ALA A 31 12.810 -1.085 -11.423 1.00 0.00 H new ATOM 0 HB2 ALA A 31 12.741 0.693 -11.395 1.00 0.00 H new ATOM 0 HB3 ALA A 31 12.610 -0.178 -12.942 1.00 0.00 H new ATOM 890 N ILE A 32 15.025 -1.354 -14.204 1.00 0.00 N ATOM 891 CA ILE A 32 15.461 -2.547 -14.968 1.00 0.00 C ATOM 892 C ILE A 32 16.979 -2.512 -15.223 1.00 0.00 C ATOM 893 O ILE A 32 17.689 -3.453 -14.882 1.00 0.00 O ATOM 894 CB ILE A 32 14.712 -2.672 -16.317 1.00 0.00 C ATOM 895 CG1 ILE A 32 14.191 -1.336 -16.883 1.00 0.00 C ATOM 896 CG2 ILE A 32 13.516 -3.593 -16.129 1.00 0.00 C ATOM 897 CD1 ILE A 32 13.782 -1.532 -18.345 1.00 0.00 C ATOM 0 H ILE A 32 14.694 -0.572 -14.770 1.00 0.00 H new ATOM 0 HA ILE A 32 15.218 -3.418 -14.360 1.00 0.00 H new ATOM 0 HB ILE A 32 15.439 -3.060 -17.030 1.00 0.00 H new ATOM 0 HG12 ILE A 32 13.339 -0.988 -16.299 1.00 0.00 H new ATOM 0 HG13 ILE A 32 14.963 -0.570 -16.809 1.00 0.00 H new ATOM 0 HG21 ILE A 32 12.979 -3.690 -17.073 1.00 0.00 H new ATOM 0 HG22 ILE A 32 13.860 -4.575 -15.805 1.00 0.00 H new ATOM 0 HG23 ILE A 32 12.850 -3.175 -15.374 1.00 0.00 H new ATOM 0 HD11 ILE A 32 13.413 -0.589 -18.749 1.00 0.00 H new ATOM 0 HD12 ILE A 32 14.645 -1.861 -18.923 1.00 0.00 H new ATOM 0 HD13 ILE A 32 12.996 -2.285 -18.405 1.00 0.00 H new ATOM 898 N PHE A 33 17.493 -1.468 -15.820 1.00 0.00 N ATOM 899 CA PHE A 33 18.970 -1.415 -16.094 1.00 0.00 C ATOM 900 C PHE A 33 19.776 -1.497 -14.782 1.00 0.00 C ATOM 901 O PHE A 33 20.895 -2.010 -14.772 1.00 0.00 O ATOM 902 CB PHE A 33 19.328 -0.113 -16.822 1.00 0.00 C ATOM 903 CG PHE A 33 18.876 -0.202 -18.260 1.00 0.00 C ATOM 904 CD1 PHE A 33 19.688 -0.831 -19.210 1.00 0.00 C ATOM 905 CD2 PHE A 33 17.642 0.338 -18.642 1.00 0.00 C ATOM 906 CE1 PHE A 33 19.269 -0.919 -20.543 1.00 0.00 C ATOM 907 CE2 PHE A 33 17.222 0.251 -19.975 1.00 0.00 C ATOM 908 CZ PHE A 33 18.036 -0.378 -20.925 1.00 0.00 C ATOM 0 H PHE A 33 16.963 -0.653 -16.130 1.00 0.00 H new ATOM 0 HA PHE A 33 19.225 -2.269 -16.722 1.00 0.00 H new ATOM 0 HB2 PHE A 33 18.850 0.735 -16.331 1.00 0.00 H new ATOM 0 HB3 PHE A 33 20.404 0.058 -16.777 1.00 0.00 H new ATOM 0 HD1 PHE A 33 20.639 -1.249 -18.915 1.00 0.00 H new ATOM 0 HD2 PHE A 33 17.014 0.822 -17.908 1.00 0.00 H new ATOM 0 HE1 PHE A 33 19.897 -1.404 -21.276 1.00 0.00 H new ATOM 0 HE2 PHE A 33 16.271 0.669 -20.270 1.00 0.00 H new ATOM 0 HZ PHE A 33 17.712 -0.446 -21.953 1.00 0.00 H new ATOM 909 N SER A 34 19.257 -0.996 -13.680 1.00 0.00 N ATOM 910 CA SER A 34 20.042 -1.051 -12.399 1.00 0.00 C ATOM 911 C SER A 34 20.133 -2.493 -11.859 1.00 0.00 C ATOM 912 O SER A 34 21.108 -2.841 -11.195 1.00 0.00 O ATOM 913 CB SER A 34 19.384 -0.162 -11.336 1.00 0.00 C ATOM 914 OG SER A 34 20.217 -0.114 -10.185 1.00 0.00 O ATOM 0 H SER A 34 18.338 -0.558 -13.612 1.00 0.00 H new ATOM 0 HA SER A 34 21.048 -0.691 -12.614 1.00 0.00 H new ATOM 0 HB2 SER A 34 19.230 0.843 -11.730 1.00 0.00 H new ATOM 0 HB3 SER A 34 18.402 -0.556 -11.073 1.00 0.00 H new ATOM 0 HG SER A 34 21.103 -0.468 -10.407 1.00 0.00 H new ATOM 915 N ARG A 35 19.150 -3.339 -12.103 1.00 0.00 N ATOM 916 CA ARG A 35 19.227 -4.742 -11.560 1.00 0.00 C ATOM 917 C ARG A 35 20.586 -5.397 -11.898 1.00 0.00 C ATOM 918 O ARG A 35 21.073 -6.240 -11.146 1.00 0.00 O ATOM 919 CB ARG A 35 18.072 -5.605 -12.114 1.00 0.00 C ATOM 920 CG ARG A 35 18.274 -5.898 -13.606 1.00 0.00 C ATOM 921 CD ARG A 35 16.911 -5.983 -14.295 1.00 0.00 C ATOM 922 NE ARG A 35 16.223 -7.238 -13.880 1.00 0.00 N ATOM 923 CZ ARG A 35 15.143 -7.179 -13.148 1.00 0.00 C ATOM 924 NH1 ARG A 35 14.024 -6.752 -13.669 1.00 0.00 N ATOM 925 NH2 ARG A 35 15.183 -7.546 -11.896 1.00 0.00 N ATOM 0 H ARG A 35 18.313 -3.124 -12.644 1.00 0.00 H new ATOM 0 HA ARG A 35 19.134 -4.683 -10.476 1.00 0.00 H new ATOM 0 HB2 ARG A 35 18.015 -6.542 -11.560 1.00 0.00 H new ATOM 0 HB3 ARG A 35 17.124 -5.089 -11.966 1.00 0.00 H new ATOM 0 HG2 ARG A 35 18.877 -5.114 -14.064 1.00 0.00 H new ATOM 0 HG3 ARG A 35 18.818 -6.834 -13.734 1.00 0.00 H new ATOM 0 HD2 ARG A 35 16.303 -5.118 -14.031 1.00 0.00 H new ATOM 0 HD3 ARG A 35 17.037 -5.965 -15.378 1.00 0.00 H new ATOM 0 HE ARG A 35 16.595 -8.143 -14.168 1.00 0.00 H new ATOM 0 HH11 ARG A 35 13.994 -6.465 -14.647 1.00 0.00 H new ATOM 0 HH12 ARG A 35 13.180 -6.706 -13.098 1.00 0.00 H new ATOM 0 HH21 ARG A 35 16.057 -7.879 -11.490 1.00 0.00 H new ATOM 0 HH22 ARG A 35 14.340 -7.500 -11.324 1.00 0.00 H new ATOM 926 N PHE A 36 21.214 -5.038 -13.001 1.00 0.00 N ATOM 927 CA PHE A 36 22.531 -5.666 -13.340 1.00 0.00 C ATOM 928 C PHE A 36 23.640 -5.004 -12.509 1.00 0.00 C ATOM 929 O PHE A 36 24.411 -5.686 -11.834 1.00 0.00 O ATOM 930 CB PHE A 36 22.839 -5.486 -14.832 1.00 0.00 C ATOM 931 CG PHE A 36 21.652 -5.937 -15.649 1.00 0.00 C ATOM 932 CD1 PHE A 36 21.437 -7.301 -15.879 1.00 0.00 C ATOM 933 CD2 PHE A 36 20.767 -4.990 -16.177 1.00 0.00 C ATOM 934 CE1 PHE A 36 20.335 -7.718 -16.637 1.00 0.00 C ATOM 935 CE2 PHE A 36 19.666 -5.406 -16.935 1.00 0.00 C ATOM 936 CZ PHE A 36 19.450 -6.771 -17.164 1.00 0.00 C ATOM 0 H PHE A 36 20.874 -4.347 -13.670 1.00 0.00 H new ATOM 0 HA PHE A 36 22.483 -6.731 -13.114 1.00 0.00 H new ATOM 0 HB2 PHE A 36 23.064 -4.441 -15.044 1.00 0.00 H new ATOM 0 HB3 PHE A 36 23.722 -6.064 -15.104 1.00 0.00 H new ATOM 0 HD1 PHE A 36 22.120 -8.032 -15.472 1.00 0.00 H new ATOM 0 HD2 PHE A 36 20.934 -3.938 -16.000 1.00 0.00 H new ATOM 0 HE1 PHE A 36 20.169 -8.770 -16.815 1.00 0.00 H new ATOM 0 HE2 PHE A 36 18.984 -4.675 -17.343 1.00 0.00 H new ATOM 0 HZ PHE A 36 18.600 -7.093 -17.748 1.00 0.00 H new ATOM 937 N GLY A 37 23.744 -3.693 -12.541 1.00 0.00 N ATOM 938 CA GLY A 37 24.812 -3.013 -11.747 1.00 0.00 C ATOM 939 C GLY A 37 24.309 -1.644 -11.269 1.00 0.00 C ATOM 940 O GLY A 37 23.124 -1.472 -10.990 1.00 0.00 O ATOM 0 H GLY A 37 23.139 -3.072 -13.079 1.00 0.00 H new ATOM 0 HA2 GLY A 37 25.090 -3.628 -10.891 1.00 0.00 H new ATOM 0 HA3 GLY A 37 25.708 -2.890 -12.355 1.00 0.00 H new ATOM 941 N GLN A 38 25.179 -0.663 -11.167 1.00 0.00 N ATOM 942 CA GLN A 38 24.729 0.682 -10.707 1.00 0.00 C ATOM 943 C GLN A 38 24.706 1.648 -11.899 1.00 0.00 C ATOM 944 O GLN A 38 25.636 1.677 -12.704 1.00 0.00 O ATOM 945 CB GLN A 38 25.693 1.210 -9.642 1.00 0.00 C ATOM 946 CG GLN A 38 25.033 2.364 -8.885 1.00 0.00 C ATOM 947 CD GLN A 38 25.921 2.779 -7.706 1.00 0.00 C ATOM 948 OE1 GLN A 38 26.268 1.951 -6.868 1.00 0.00 O ATOM 949 NE2 GLN A 38 26.317 4.025 -7.591 1.00 0.00 N ATOM 0 H GLN A 38 26.173 -0.740 -11.382 1.00 0.00 H new ATOM 0 HA GLN A 38 23.728 0.603 -10.282 1.00 0.00 H new ATOM 0 HB2 GLN A 38 25.960 0.412 -8.949 1.00 0.00 H new ATOM 0 HB3 GLN A 38 26.618 1.549 -10.109 1.00 0.00 H new ATOM 0 HG2 GLN A 38 24.880 3.211 -9.554 1.00 0.00 H new ATOM 0 HG3 GLN A 38 24.050 2.061 -8.524 1.00 0.00 H new ATOM 0 HE21 GLN A 38 26.032 4.717 -8.284 1.00 0.00 H new ATOM 0 HE22 GLN A 38 26.910 4.302 -6.809 1.00 0.00 H new ATOM 950 N ILE A 39 23.666 2.444 -12.036 1.00 0.00 N ATOM 951 CA ILE A 39 23.609 3.399 -13.181 1.00 0.00 C ATOM 952 C ILE A 39 24.155 4.763 -12.730 1.00 0.00 C ATOM 953 O ILE A 39 23.722 5.308 -11.716 1.00 0.00 O ATOM 954 CB ILE A 39 22.161 3.558 -13.653 1.00 0.00 C ATOM 955 CG1 ILE A 39 21.566 2.178 -13.947 1.00 0.00 C ATOM 956 CG2 ILE A 39 22.128 4.406 -14.924 1.00 0.00 C ATOM 957 CD1 ILE A 39 20.065 2.314 -14.207 1.00 0.00 C ATOM 0 H ILE A 39 22.864 2.469 -11.407 1.00 0.00 H new ATOM 0 HA ILE A 39 24.212 3.015 -14.004 1.00 0.00 H new ATOM 0 HB ILE A 39 21.578 4.048 -12.874 1.00 0.00 H new ATOM 0 HG12 ILE A 39 22.057 1.736 -14.814 1.00 0.00 H new ATOM 0 HG13 ILE A 39 21.741 1.508 -13.105 1.00 0.00 H new ATOM 0 HG21 ILE A 39 21.097 4.519 -15.259 1.00 0.00 H new ATOM 0 HG22 ILE A 39 22.552 5.389 -14.717 1.00 0.00 H new ATOM 0 HG23 ILE A 39 22.712 3.916 -15.703 1.00 0.00 H new ATOM 0 HD11 ILE A 39 19.642 1.332 -14.416 1.00 0.00 H new ATOM 0 HD12 ILE A 39 19.580 2.738 -13.328 1.00 0.00 H new ATOM 0 HD13 ILE A 39 19.902 2.969 -15.063 1.00 0.00 H new ATOM 958 N LEU A 40 25.097 5.329 -13.456 1.00 0.00 N ATOM 959 CA LEU A 40 25.651 6.657 -13.042 1.00 0.00 C ATOM 960 C LEU A 40 24.615 7.754 -13.324 1.00 0.00 C ATOM 961 O LEU A 40 24.430 8.665 -12.518 1.00 0.00 O ATOM 962 CB LEU A 40 26.947 6.961 -13.817 1.00 0.00 C ATOM 963 CG LEU A 40 28.069 7.309 -12.834 1.00 0.00 C ATOM 964 CD1 LEU A 40 28.616 6.024 -12.210 1.00 0.00 C ATOM 965 CD2 LEU A 40 29.196 8.032 -13.578 1.00 0.00 C ATOM 0 H LEU A 40 25.499 4.933 -14.305 1.00 0.00 H new ATOM 0 HA LEU A 40 25.876 6.629 -11.976 1.00 0.00 H new ATOM 0 HB2 LEU A 40 27.233 6.098 -14.419 1.00 0.00 H new ATOM 0 HB3 LEU A 40 26.784 7.790 -14.506 1.00 0.00 H new ATOM 0 HG LEU A 40 27.676 7.957 -12.051 1.00 0.00 H new ATOM 0 HD11 LEU A 40 29.415 6.271 -11.510 1.00 0.00 H new ATOM 0 HD12 LEU A 40 27.816 5.508 -11.680 1.00 0.00 H new ATOM 0 HD13 LEU A 40 29.008 5.377 -12.995 1.00 0.00 H new ATOM 0 HD21 LEU A 40 29.994 8.279 -12.878 1.00 0.00 H new ATOM 0 HD22 LEU A 40 29.589 7.384 -14.362 1.00 0.00 H new ATOM 0 HD23 LEU A 40 28.808 8.948 -14.024 1.00 0.00 H new ATOM 966 N ASP A 41 23.932 7.693 -14.446 1.00 0.00 N ATOM 967 CA ASP A 41 22.914 8.747 -14.750 1.00 0.00 C ATOM 968 C ASP A 41 22.162 8.412 -16.051 1.00 0.00 C ATOM 969 O ASP A 41 22.761 7.971 -17.031 1.00 0.00 O ATOM 970 CB ASP A 41 23.618 10.097 -14.904 1.00 0.00 C ATOM 971 CG ASP A 41 22.574 11.213 -14.986 1.00 0.00 C ATOM 972 OD1 ASP A 41 21.936 11.325 -16.019 1.00 0.00 O ATOM 973 OD2 ASP A 41 22.431 11.934 -14.013 1.00 0.00 O ATOM 0 H ASP A 41 24.035 6.967 -15.155 1.00 0.00 H new ATOM 0 HA ASP A 41 22.195 8.791 -13.932 1.00 0.00 H new ATOM 0 HB2 ASP A 41 24.284 10.270 -14.059 1.00 0.00 H new ATOM 0 HB3 ASP A 41 24.236 10.096 -15.802 1.00 0.00 H new ATOM 974 N ILE A 42 20.862 8.614 -16.084 1.00 0.00 N ATOM 975 CA ILE A 42 20.089 8.311 -17.323 1.00 0.00 C ATOM 976 C ILE A 42 19.578 9.626 -17.929 1.00 0.00 C ATOM 977 O ILE A 42 19.218 10.551 -17.204 1.00 0.00 O ATOM 978 CB ILE A 42 18.903 7.409 -16.974 1.00 0.00 C ATOM 979 CG1 ILE A 42 19.409 6.170 -16.232 1.00 0.00 C ATOM 980 CG2 ILE A 42 18.189 6.975 -18.255 1.00 0.00 C ATOM 981 CD1 ILE A 42 18.223 5.429 -15.609 1.00 0.00 C ATOM 0 H ILE A 42 20.310 8.975 -15.306 1.00 0.00 H new ATOM 0 HA ILE A 42 20.728 7.801 -18.043 1.00 0.00 H new ATOM 0 HB ILE A 42 18.206 7.959 -16.341 1.00 0.00 H new ATOM 0 HG12 ILE A 42 19.941 5.513 -16.920 1.00 0.00 H new ATOM 0 HG13 ILE A 42 20.118 6.461 -15.457 1.00 0.00 H new ATOM 0 HG21 ILE A 42 17.345 6.333 -18.002 1.00 0.00 H new ATOM 0 HG22 ILE A 42 17.828 7.856 -18.787 1.00 0.00 H new ATOM 0 HG23 ILE A 42 18.884 6.427 -18.891 1.00 0.00 H new ATOM 0 HD11 ILE A 42 18.583 4.546 -15.080 1.00 0.00 H new ATOM 0 HD12 ILE A 42 17.710 6.088 -14.908 1.00 0.00 H new ATOM 0 HD13 ILE A 42 17.531 5.125 -16.394 1.00 0.00 H new ATOM 982 N LEU A 43 19.543 9.740 -19.240 1.00 0.00 N ATOM 983 CA LEU A 43 19.061 11.008 -19.860 1.00 0.00 C ATOM 984 C LEU A 43 17.885 10.718 -20.804 1.00 0.00 C ATOM 985 O LEU A 43 17.880 9.715 -21.517 1.00 0.00 O ATOM 986 CB LEU A 43 20.197 11.656 -20.657 1.00 0.00 C ATOM 987 CG LEU A 43 21.443 11.789 -19.774 1.00 0.00 C ATOM 988 CD1 LEU A 43 22.409 10.640 -20.072 1.00 0.00 C ATOM 989 CD2 LEU A 43 22.138 13.121 -20.069 1.00 0.00 C ATOM 0 H LEU A 43 19.826 9.013 -19.897 1.00 0.00 H new ATOM 0 HA LEU A 43 18.733 11.684 -19.070 1.00 0.00 H new ATOM 0 HB2 LEU A 43 20.426 11.054 -21.536 1.00 0.00 H new ATOM 0 HB3 LEU A 43 19.888 12.638 -21.015 1.00 0.00 H new ATOM 0 HG LEU A 43 21.147 11.754 -18.726 1.00 0.00 H new ATOM 0 HD11 LEU A 43 23.294 10.736 -19.443 1.00 0.00 H new ATOM 0 HD12 LEU A 43 21.918 9.689 -19.864 1.00 0.00 H new ATOM 0 HD13 LEU A 43 22.704 10.675 -21.121 1.00 0.00 H new ATOM 0 HD21 LEU A 43 23.024 13.216 -19.441 1.00 0.00 H new ATOM 0 HD22 LEU A 43 22.431 13.154 -21.118 1.00 0.00 H new ATOM 0 HD23 LEU A 43 21.454 13.943 -19.858 1.00 0.00 H new ATOM 990 N VAL A 44 16.892 11.580 -20.837 1.00 0.00 N ATOM 991 CA VAL A 44 15.732 11.351 -21.746 1.00 0.00 C ATOM 992 C VAL A 44 15.502 12.614 -22.591 1.00 0.00 C ATOM 993 O VAL A 44 15.410 13.718 -22.059 1.00 0.00 O ATOM 994 CB VAL A 44 14.473 11.042 -20.927 1.00 0.00 C ATOM 995 CG1 VAL A 44 14.604 9.656 -20.293 1.00 0.00 C ATOM 996 CG2 VAL A 44 14.297 12.090 -19.823 1.00 0.00 C ATOM 0 H VAL A 44 16.840 12.428 -20.273 1.00 0.00 H new ATOM 0 HA VAL A 44 15.943 10.503 -22.397 1.00 0.00 H new ATOM 0 HB VAL A 44 13.605 11.065 -21.586 1.00 0.00 H new ATOM 0 HG11 VAL A 44 13.709 9.436 -19.711 1.00 0.00 H new ATOM 0 HG12 VAL A 44 14.720 8.907 -21.076 1.00 0.00 H new ATOM 0 HG13 VAL A 44 15.476 9.636 -19.639 1.00 0.00 H new ATOM 0 HG21 VAL A 44 13.401 11.863 -19.246 1.00 0.00 H new ATOM 0 HG22 VAL A 44 15.166 12.075 -19.165 1.00 0.00 H new ATOM 0 HG23 VAL A 44 14.199 13.078 -20.272 1.00 0.00 H new ATOM 997 N SER A 45 15.419 12.483 -23.898 1.00 0.00 N ATOM 998 CA SER A 45 15.207 13.688 -24.752 1.00 0.00 C ATOM 999 C SER A 45 13.757 13.721 -25.256 1.00 0.00 C ATOM 1000 O SER A 45 13.101 12.686 -25.360 1.00 0.00 O ATOM 1001 CB SER A 45 16.159 13.636 -25.948 1.00 0.00 C ATOM 1002 OG SER A 45 17.328 12.914 -25.587 1.00 0.00 O ATOM 0 H SER A 45 15.489 11.599 -24.402 1.00 0.00 H new ATOM 0 HA SER A 45 15.404 14.585 -24.164 1.00 0.00 H new ATOM 0 HB2 SER A 45 15.670 13.157 -26.796 1.00 0.00 H new ATOM 0 HB3 SER A 45 16.424 14.646 -26.261 1.00 0.00 H new ATOM 0 HG SER A 45 18.009 13.025 -26.283 1.00 0.00 H new ATOM 1003 N ARG A 46 13.239 14.889 -25.578 1.00 0.00 N ATOM 1004 CA ARG A 46 11.836 14.971 -26.077 1.00 0.00 C ATOM 1005 C ARG A 46 11.774 15.930 -27.280 1.00 0.00 C ATOM 1006 O ARG A 46 10.819 16.690 -27.428 1.00 0.00 O ATOM 1007 CB ARG A 46 10.931 15.497 -24.960 1.00 0.00 C ATOM 1008 CG ARG A 46 9.575 14.790 -25.021 1.00 0.00 C ATOM 1009 CD ARG A 46 9.680 13.426 -24.338 1.00 0.00 C ATOM 1010 NE ARG A 46 8.315 12.867 -24.130 1.00 0.00 N ATOM 1011 CZ ARG A 46 7.923 11.829 -24.817 1.00 0.00 C ATOM 1012 NH1 ARG A 46 8.715 10.800 -24.949 1.00 0.00 N ATOM 1013 NH2 ARG A 46 6.741 11.819 -25.369 1.00 0.00 N ATOM 0 H ARG A 46 13.730 15.781 -25.515 1.00 0.00 H new ATOM 0 HA ARG A 46 11.500 13.981 -26.384 1.00 0.00 H new ATOM 0 HB2 ARG A 46 11.398 15.327 -23.990 1.00 0.00 H new ATOM 0 HB3 ARG A 46 10.796 16.574 -25.064 1.00 0.00 H new ATOM 0 HG2 ARG A 46 8.814 15.397 -24.530 1.00 0.00 H new ATOM 0 HG3 ARG A 46 9.264 14.666 -26.058 1.00 0.00 H new ATOM 0 HD2 ARG A 46 10.273 12.746 -24.949 1.00 0.00 H new ATOM 0 HD3 ARG A 46 10.193 13.525 -23.382 1.00 0.00 H new ATOM 0 HE ARG A 46 7.687 13.296 -23.450 1.00 0.00 H new ATOM 0 HH11 ARG A 46 9.638 10.808 -24.516 1.00 0.00 H new ATOM 0 HH12 ARG A 46 8.411 9.988 -25.486 1.00 0.00 H new ATOM 0 HH21 ARG A 46 6.122 12.623 -25.264 1.00 0.00 H new ATOM 0 HH22 ARG A 46 6.436 11.007 -25.906 1.00 0.00 H new ATOM 1014 N SER A 47 12.769 15.915 -28.142 1.00 0.00 N ATOM 1015 CA SER A 47 12.747 16.830 -29.321 1.00 0.00 C ATOM 1016 C SER A 47 12.297 16.048 -30.566 1.00 0.00 C ATOM 1017 O SER A 47 11.951 14.871 -30.474 1.00 0.00 O ATOM 1018 CB SER A 47 14.150 17.399 -29.541 1.00 0.00 C ATOM 1019 OG SER A 47 15.062 16.328 -29.758 1.00 0.00 O ATOM 0 H SER A 47 13.588 15.311 -28.076 1.00 0.00 H new ATOM 0 HA SER A 47 12.049 17.648 -29.142 1.00 0.00 H new ATOM 0 HB2 SER A 47 14.152 18.073 -30.398 1.00 0.00 H new ATOM 0 HB3 SER A 47 14.458 17.984 -28.675 1.00 0.00 H new ATOM 0 HG SER A 47 15.962 16.689 -29.901 1.00 0.00 H new ATOM 1020 N LEU A 48 12.281 16.670 -31.728 1.00 0.00 N ATOM 1021 CA LEU A 48 11.836 15.931 -32.956 1.00 0.00 C ATOM 1022 C LEU A 48 12.861 14.842 -33.310 1.00 0.00 C ATOM 1023 O LEU A 48 12.507 13.676 -33.472 1.00 0.00 O ATOM 1024 CB LEU A 48 11.697 16.894 -34.141 1.00 0.00 C ATOM 1025 CG LEU A 48 10.645 16.356 -35.113 1.00 0.00 C ATOM 1026 CD1 LEU A 48 9.897 17.526 -35.755 1.00 0.00 C ATOM 1027 CD2 LEU A 48 11.332 15.532 -36.204 1.00 0.00 C ATOM 0 H LEU A 48 12.553 17.642 -31.876 1.00 0.00 H new ATOM 0 HA LEU A 48 10.868 15.474 -32.751 1.00 0.00 H new ATOM 0 HB2 LEU A 48 11.409 17.884 -33.787 1.00 0.00 H new ATOM 0 HB3 LEU A 48 12.655 17.004 -34.649 1.00 0.00 H new ATOM 0 HG LEU A 48 9.939 15.726 -34.571 1.00 0.00 H new ATOM 0 HD11 LEU A 48 9.148 17.143 -36.447 1.00 0.00 H new ATOM 0 HD12 LEU A 48 9.407 18.114 -34.979 1.00 0.00 H new ATOM 0 HD13 LEU A 48 10.603 18.156 -36.296 1.00 0.00 H new ATOM 0 HD21 LEU A 48 10.583 15.149 -36.897 1.00 0.00 H new ATOM 0 HD22 LEU A 48 12.038 16.162 -36.745 1.00 0.00 H new ATOM 0 HD23 LEU A 48 11.865 14.698 -35.748 1.00 0.00 H new ATOM 1028 N LYS A 49 14.124 15.192 -33.440 1.00 0.00 N ATOM 1029 CA LYS A 49 15.147 14.153 -33.792 1.00 0.00 C ATOM 1030 C LYS A 49 15.300 13.158 -32.631 1.00 0.00 C ATOM 1031 O LYS A 49 15.474 11.959 -32.852 1.00 0.00 O ATOM 1032 CB LYS A 49 16.506 14.813 -34.071 1.00 0.00 C ATOM 1033 CG LYS A 49 16.465 15.516 -35.432 1.00 0.00 C ATOM 1034 CD LYS A 49 17.303 16.796 -35.374 1.00 0.00 C ATOM 1035 CE LYS A 49 18.786 16.443 -35.496 1.00 0.00 C ATOM 1036 NZ LYS A 49 19.597 17.694 -35.515 1.00 0.00 N ATOM 0 H LYS A 49 14.485 16.138 -33.319 1.00 0.00 H new ATOM 0 HA LYS A 49 14.813 13.628 -34.687 1.00 0.00 H new ATOM 0 HB2 LYS A 49 16.741 15.532 -33.286 1.00 0.00 H new ATOM 0 HB3 LYS A 49 17.296 14.062 -34.062 1.00 0.00 H new ATOM 0 HG2 LYS A 49 16.849 14.853 -36.207 1.00 0.00 H new ATOM 0 HG3 LYS A 49 15.435 15.755 -35.698 1.00 0.00 H new ATOM 0 HD2 LYS A 49 17.012 17.470 -36.179 1.00 0.00 H new ATOM 0 HD3 LYS A 49 17.119 17.321 -34.437 1.00 0.00 H new ATOM 0 HE2 LYS A 49 19.090 15.813 -34.660 1.00 0.00 H new ATOM 0 HE3 LYS A 49 18.960 15.870 -36.407 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 20.605 17.453 -35.598 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 19.313 18.279 -36.326 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 19.439 18.223 -34.634 1.00 0.00 H new ATOM 1037 N MET A 50 15.245 13.618 -31.399 1.00 0.00 N ATOM 1038 CA MET A 50 15.393 12.682 -30.248 1.00 0.00 C ATOM 1039 C MET A 50 14.020 12.454 -29.593 1.00 0.00 C ATOM 1040 O MET A 50 13.834 12.722 -28.406 1.00 0.00 O ATOM 1041 CB MET A 50 16.358 13.284 -29.222 1.00 0.00 C ATOM 1042 CG MET A 50 17.663 13.689 -29.913 1.00 0.00 C ATOM 1043 SD MET A 50 19.060 13.316 -28.826 1.00 0.00 S ATOM 1044 CE MET A 50 19.505 11.728 -29.570 1.00 0.00 C ATOM 0 H MET A 50 15.105 14.597 -31.148 1.00 0.00 H new ATOM 0 HA MET A 50 15.788 11.729 -30.601 1.00 0.00 H new ATOM 0 HB2 MET A 50 15.903 14.153 -28.747 1.00 0.00 H new ATOM 0 HB3 MET A 50 16.563 12.560 -28.433 1.00 0.00 H new ATOM 0 HG2 MET A 50 17.769 13.153 -30.856 1.00 0.00 H new ATOM 0 HG3 MET A 50 17.647 14.753 -30.150 1.00 0.00 H new ATOM 0 HE1 MET A 50 20.554 11.512 -29.367 1.00 0.00 H new ATOM 0 HE2 MET A 50 18.884 10.940 -29.144 1.00 0.00 H new ATOM 0 HE3 MET A 50 19.346 11.774 -30.647 1.00 0.00 H new ATOM 1045 N ARG A 51 13.051 11.965 -30.336 1.00 0.00 N ATOM 1046 CA ARG A 51 11.704 11.731 -29.741 1.00 0.00 C ATOM 1047 C ARG A 51 11.479 10.222 -29.561 1.00 0.00 C ATOM 1048 O ARG A 51 11.845 9.426 -30.421 1.00 0.00 O ATOM 1049 CB ARG A 51 10.630 12.298 -30.675 1.00 0.00 C ATOM 1050 CG ARG A 51 9.561 13.027 -29.856 1.00 0.00 C ATOM 1051 CD ARG A 51 8.628 13.793 -30.796 1.00 0.00 C ATOM 1052 NE ARG A 51 8.223 15.078 -30.158 1.00 0.00 N ATOM 1053 CZ ARG A 51 7.429 15.071 -29.123 1.00 0.00 C ATOM 1054 NH1 ARG A 51 6.344 14.346 -29.137 1.00 0.00 N ATOM 1055 NH2 ARG A 51 7.719 15.791 -28.074 1.00 0.00 N ATOM 0 H ARG A 51 13.139 11.721 -31.322 1.00 0.00 H new ATOM 0 HA ARG A 51 11.643 12.226 -28.772 1.00 0.00 H new ATOM 0 HB2 ARG A 51 11.083 12.984 -31.391 1.00 0.00 H new ATOM 0 HB3 ARG A 51 10.174 11.493 -31.250 1.00 0.00 H new ATOM 0 HG2 ARG A 51 8.990 12.311 -29.265 1.00 0.00 H new ATOM 0 HG3 ARG A 51 10.032 13.715 -29.155 1.00 0.00 H new ATOM 0 HD2 ARG A 51 9.130 13.988 -31.744 1.00 0.00 H new ATOM 0 HD3 ARG A 51 7.746 13.192 -31.019 1.00 0.00 H new ATOM 0 HE ARG A 51 8.567 15.963 -30.531 1.00 0.00 H new ATOM 0 HH11 ARG A 51 6.116 13.784 -29.958 1.00 0.00 H new ATOM 0 HH12 ARG A 51 5.724 14.341 -28.327 1.00 0.00 H new ATOM 0 HH21 ARG A 51 8.566 16.359 -28.064 1.00 0.00 H new ATOM 0 HH22 ARG A 51 7.098 15.786 -27.264 1.00 0.00 H new ATOM 1056 N GLY A 52 10.883 9.810 -28.463 1.00 0.00 N ATOM 1057 CA GLY A 52 10.639 8.353 -28.249 1.00 0.00 C ATOM 1058 C GLY A 52 11.977 7.605 -28.145 1.00 0.00 C ATOM 1059 O GLY A 52 12.194 6.610 -28.836 1.00 0.00 O ATOM 0 H GLY A 52 10.558 10.420 -27.713 1.00 0.00 H new ATOM 0 HA2 GLY A 52 10.058 8.203 -27.339 1.00 0.00 H new ATOM 0 HA3 GLY A 52 10.051 7.950 -29.073 1.00 0.00 H new ATOM 1060 N GLN A 53 12.878 8.051 -27.295 1.00 0.00 N ATOM 1061 CA GLN A 53 14.192 7.341 -27.166 1.00 0.00 C ATOM 1062 C GLN A 53 14.954 7.851 -25.929 1.00 0.00 C ATOM 1063 O GLN A 53 14.698 8.951 -25.442 1.00 0.00 O ATOM 1064 CB GLN A 53 15.033 7.591 -28.420 1.00 0.00 C ATOM 1065 CG GLN A 53 15.227 9.096 -28.616 1.00 0.00 C ATOM 1066 CD GLN A 53 15.892 9.350 -29.975 1.00 0.00 C ATOM 1067 OE1 GLN A 53 17.115 9.435 -30.061 1.00 0.00 O ATOM 1068 NE2 GLN A 53 15.154 9.479 -31.050 1.00 0.00 N ATOM 0 H GLN A 53 12.761 8.866 -26.693 1.00 0.00 H new ATOM 0 HA GLN A 53 14.007 6.273 -27.053 1.00 0.00 H new ATOM 0 HB2 GLN A 53 16.001 7.099 -28.325 1.00 0.00 H new ATOM 0 HB3 GLN A 53 14.541 7.161 -29.292 1.00 0.00 H new ATOM 0 HG2 GLN A 53 14.266 9.607 -28.568 1.00 0.00 H new ATOM 0 HG3 GLN A 53 15.845 9.502 -27.815 1.00 0.00 H new ATOM 0 HE21 GLN A 53 14.139 9.409 -30.983 1.00 0.00 H new ATOM 0 HE22 GLN A 53 15.595 9.649 -31.954 1.00 0.00 H new ATOM 1069 N ALA A 54 15.884 7.078 -25.405 1.00 0.00 N ATOM 1070 CA ALA A 54 16.641 7.540 -24.202 1.00 0.00 C ATOM 1071 C ALA A 54 18.003 6.826 -24.125 1.00 0.00 C ATOM 1072 O ALA A 54 18.146 5.693 -24.581 1.00 0.00 O ATOM 1073 CB ALA A 54 15.831 7.225 -22.943 1.00 0.00 C ATOM 0 H ALA A 54 16.146 6.157 -25.758 1.00 0.00 H new ATOM 0 HA ALA A 54 16.807 8.615 -24.277 1.00 0.00 H new ATOM 0 HB1 ALA A 54 16.380 7.561 -22.063 1.00 0.00 H new ATOM 0 HB2 ALA A 54 14.871 7.740 -22.990 1.00 0.00 H new ATOM 0 HB3 ALA A 54 15.663 6.150 -22.878 1.00 0.00 H new ATOM 1074 N PHE A 55 19.004 7.459 -23.552 1.00 0.00 N ATOM 1075 CA PHE A 55 20.341 6.804 -23.448 1.00 0.00 C ATOM 1076 C PHE A 55 20.596 6.412 -21.986 1.00 0.00 C ATOM 1077 O PHE A 55 20.047 7.022 -21.070 1.00 0.00 O ATOM 1078 CB PHE A 55 21.426 7.781 -23.906 1.00 0.00 C ATOM 1079 CG PHE A 55 21.187 8.169 -25.344 1.00 0.00 C ATOM 1080 CD1 PHE A 55 20.183 9.092 -25.663 1.00 0.00 C ATOM 1081 CD2 PHE A 55 21.968 7.606 -26.360 1.00 0.00 C ATOM 1082 CE1 PHE A 55 19.961 9.451 -26.996 1.00 0.00 C ATOM 1083 CE2 PHE A 55 21.746 7.965 -27.695 1.00 0.00 C ATOM 1084 CZ PHE A 55 20.743 8.888 -28.014 1.00 0.00 C ATOM 0 H PHE A 55 18.948 8.397 -23.155 1.00 0.00 H new ATOM 0 HA PHE A 55 20.363 5.915 -24.079 1.00 0.00 H new ATOM 0 HB2 PHE A 55 21.420 8.669 -23.274 1.00 0.00 H new ATOM 0 HB3 PHE A 55 22.409 7.322 -23.802 1.00 0.00 H new ATOM 0 HD1 PHE A 55 19.580 9.526 -24.879 1.00 0.00 H new ATOM 0 HD2 PHE A 55 22.742 6.894 -26.114 1.00 0.00 H new ATOM 0 HE1 PHE A 55 19.186 10.163 -27.241 1.00 0.00 H new ATOM 0 HE2 PHE A 55 22.349 7.530 -28.479 1.00 0.00 H new ATOM 0 HZ PHE A 55 20.572 9.166 -29.043 1.00 0.00 H new ATOM 1085 N VAL A 56 21.415 5.412 -21.737 1.00 0.00 N ATOM 1086 CA VAL A 56 21.683 5.012 -20.322 1.00 0.00 C ATOM 1087 C VAL A 56 23.197 4.916 -20.091 1.00 0.00 C ATOM 1088 O VAL A 56 23.895 4.187 -20.793 1.00 0.00 O ATOM 1089 CB VAL A 56 21.040 3.654 -20.034 1.00 0.00 C ATOM 1090 CG1 VAL A 56 21.155 3.343 -18.539 1.00 0.00 C ATOM 1091 CG2 VAL A 56 19.563 3.687 -20.436 1.00 0.00 C ATOM 0 H VAL A 56 21.902 4.864 -22.446 1.00 0.00 H new ATOM 0 HA VAL A 56 21.258 5.762 -19.654 1.00 0.00 H new ATOM 0 HB VAL A 56 21.553 2.882 -20.608 1.00 0.00 H new ATOM 0 HG11 VAL A 56 20.697 2.376 -18.332 1.00 0.00 H new ATOM 0 HG12 VAL A 56 22.206 3.315 -18.253 1.00 0.00 H new ATOM 0 HG13 VAL A 56 20.643 4.116 -17.966 1.00 0.00 H new ATOM 0 HG21 VAL A 56 19.108 2.718 -20.230 1.00 0.00 H new ATOM 0 HG22 VAL A 56 19.048 4.459 -19.865 1.00 0.00 H new ATOM 0 HG23 VAL A 56 19.480 3.907 -21.500 1.00 0.00 H new ATOM 1092 N ILE A 57 23.727 5.629 -19.121 1.00 0.00 N ATOM 1093 CA ILE A 57 25.195 5.559 -18.865 1.00 0.00 C ATOM 1094 C ILE A 57 25.463 4.577 -17.716 1.00 0.00 C ATOM 1095 O ILE A 57 25.023 4.794 -16.588 1.00 0.00 O ATOM 1096 CB ILE A 57 25.718 6.947 -18.491 1.00 0.00 C ATOM 1097 CG1 ILE A 57 25.365 7.934 -19.606 1.00 0.00 C ATOM 1098 CG2 ILE A 57 27.237 6.894 -18.319 1.00 0.00 C ATOM 1099 CD1 ILE A 57 25.555 9.367 -19.104 1.00 0.00 C ATOM 0 H ILE A 57 23.206 6.251 -18.502 1.00 0.00 H new ATOM 0 HA ILE A 57 25.707 5.215 -19.764 1.00 0.00 H new ATOM 0 HB ILE A 57 25.261 7.270 -17.556 1.00 0.00 H new ATOM 0 HG12 ILE A 57 25.997 7.756 -20.476 1.00 0.00 H new ATOM 0 HG13 ILE A 57 24.334 7.784 -19.925 1.00 0.00 H new ATOM 0 HG21 ILE A 57 27.608 7.884 -18.053 1.00 0.00 H new ATOM 0 HG22 ILE A 57 27.489 6.187 -17.529 1.00 0.00 H new ATOM 0 HG23 ILE A 57 27.698 6.573 -19.253 1.00 0.00 H new ATOM 0 HD11 ILE A 57 25.303 10.068 -19.900 1.00 0.00 H new ATOM 0 HD12 ILE A 57 24.904 9.542 -18.247 1.00 0.00 H new ATOM 0 HD13 ILE A 57 26.593 9.514 -18.807 1.00 0.00 H new ATOM 1100 N PHE A 58 26.172 3.499 -17.972 1.00 0.00 N ATOM 1101 CA PHE A 58 26.453 2.518 -16.882 1.00 0.00 C ATOM 1102 C PHE A 58 27.806 2.848 -16.238 1.00 0.00 C ATOM 1103 O PHE A 58 28.728 3.304 -16.913 1.00 0.00 O ATOM 1104 CB PHE A 58 26.504 1.100 -17.460 1.00 0.00 C ATOM 1105 CG PHE A 58 25.177 0.409 -17.246 1.00 0.00 C ATOM 1106 CD1 PHE A 58 24.705 0.179 -15.947 1.00 0.00 C ATOM 1107 CD2 PHE A 58 24.423 -0.008 -18.348 1.00 0.00 C ATOM 1108 CE1 PHE A 58 23.478 -0.467 -15.754 1.00 0.00 C ATOM 1109 CE2 PHE A 58 23.198 -0.656 -18.154 1.00 0.00 C ATOM 1110 CZ PHE A 58 22.725 -0.885 -16.857 1.00 0.00 C ATOM 0 H PHE A 58 26.564 3.261 -18.883 1.00 0.00 H new ATOM 0 HA PHE A 58 25.662 2.576 -16.134 1.00 0.00 H new ATOM 0 HB2 PHE A 58 26.736 1.140 -18.524 1.00 0.00 H new ATOM 0 HB3 PHE A 58 27.301 0.531 -16.981 1.00 0.00 H new ATOM 0 HD1 PHE A 58 25.287 0.500 -15.096 1.00 0.00 H new ATOM 0 HD2 PHE A 58 24.787 0.170 -19.349 1.00 0.00 H new ATOM 0 HE1 PHE A 58 23.112 -0.643 -14.753 1.00 0.00 H new ATOM 0 HE2 PHE A 58 22.618 -0.979 -19.005 1.00 0.00 H new ATOM 0 HZ PHE A 58 21.779 -1.384 -16.707 1.00 0.00 H new ATOM 1111 N LYS A 59 27.956 2.625 -14.948 1.00 0.00 N ATOM 1112 CA LYS A 59 29.270 2.929 -14.289 1.00 0.00 C ATOM 1113 C LYS A 59 30.396 2.192 -15.034 1.00 0.00 C ATOM 1114 O LYS A 59 31.475 2.740 -15.249 1.00 0.00 O ATOM 1115 CB LYS A 59 29.252 2.473 -12.823 1.00 0.00 C ATOM 1116 CG LYS A 59 30.504 2.987 -12.112 1.00 0.00 C ATOM 1117 CD LYS A 59 30.297 2.913 -10.598 1.00 0.00 C ATOM 1118 CE LYS A 59 31.068 4.047 -9.919 1.00 0.00 C ATOM 1119 NZ LYS A 59 31.479 3.618 -8.553 1.00 0.00 N ATOM 0 H LYS A 59 27.235 2.251 -14.332 1.00 0.00 H new ATOM 0 HA LYS A 59 29.440 4.005 -14.324 1.00 0.00 H new ATOM 0 HB2 LYS A 59 28.358 2.849 -12.325 1.00 0.00 H new ATOM 0 HB3 LYS A 59 29.212 1.385 -12.770 1.00 0.00 H new ATOM 0 HG2 LYS A 59 31.370 2.391 -12.401 1.00 0.00 H new ATOM 0 HG3 LYS A 59 30.710 4.015 -12.412 1.00 0.00 H new ATOM 0 HD2 LYS A 59 29.236 2.989 -10.362 1.00 0.00 H new ATOM 0 HD3 LYS A 59 30.640 1.950 -10.220 1.00 0.00 H new ATOM 0 HE2 LYS A 59 31.946 4.309 -10.509 1.00 0.00 H new ATOM 0 HE3 LYS A 59 30.446 4.940 -9.860 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 32.003 4.388 -8.090 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 30.634 3.389 -7.992 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 32.087 2.777 -8.622 1.00 0.00 H new ATOM 1120 N GLU A 60 30.166 0.960 -15.443 1.00 0.00 N ATOM 1121 CA GLU A 60 31.219 0.210 -16.178 1.00 0.00 C ATOM 1122 C GLU A 60 30.646 -0.289 -17.513 1.00 0.00 C ATOM 1123 O GLU A 60 29.435 -0.457 -17.651 1.00 0.00 O ATOM 1124 CB GLU A 60 31.677 -0.985 -15.337 1.00 0.00 C ATOM 1125 CG GLU A 60 33.177 -1.213 -15.545 1.00 0.00 C ATOM 1126 CD GLU A 60 33.960 -0.495 -14.446 1.00 0.00 C ATOM 1127 OE1 GLU A 60 33.656 -0.719 -13.286 1.00 0.00 O ATOM 1128 OE2 GLU A 60 34.852 0.266 -14.781 1.00 0.00 O ATOM 0 H GLU A 60 29.294 0.451 -15.295 1.00 0.00 H new ATOM 0 HA GLU A 60 32.070 0.864 -16.368 1.00 0.00 H new ATOM 0 HB2 GLU A 60 31.469 -0.802 -14.283 1.00 0.00 H new ATOM 0 HB3 GLU A 60 31.120 -1.878 -15.621 1.00 0.00 H new ATOM 0 HG2 GLU A 60 33.399 -2.280 -15.527 1.00 0.00 H new ATOM 0 HG3 GLU A 60 33.480 -0.841 -16.524 1.00 0.00 H new ATOM 1129 N VAL A 61 31.481 -0.530 -18.501 1.00 0.00 N ATOM 1130 CA VAL A 61 30.950 -1.017 -19.818 1.00 0.00 C ATOM 1131 C VAL A 61 30.318 -2.408 -19.647 1.00 0.00 C ATOM 1132 O VAL A 61 29.335 -2.726 -20.307 1.00 0.00 O ATOM 1133 CB VAL A 61 32.080 -1.097 -20.860 1.00 0.00 C ATOM 1134 CG1 VAL A 61 31.511 -1.554 -22.215 1.00 0.00 C ATOM 1135 CG2 VAL A 61 32.731 0.283 -21.014 1.00 0.00 C ATOM 0 H VAL A 61 32.493 -0.412 -18.454 1.00 0.00 H new ATOM 0 HA VAL A 61 30.195 -0.312 -20.165 1.00 0.00 H new ATOM 0 HB VAL A 61 32.827 -1.817 -20.526 1.00 0.00 H new ATOM 0 HG11 VAL A 61 32.316 -1.608 -22.948 1.00 0.00 H new ATOM 0 HG12 VAL A 61 31.054 -2.537 -22.105 1.00 0.00 H new ATOM 0 HG13 VAL A 61 30.760 -0.840 -22.554 1.00 0.00 H new ATOM 0 HG21 VAL A 61 33.531 0.227 -21.752 1.00 0.00 H new ATOM 0 HG22 VAL A 61 31.983 1.004 -21.344 1.00 0.00 H new ATOM 0 HG23 VAL A 61 33.142 0.600 -20.056 1.00 0.00 H new ATOM 1136 N SER A 62 30.859 -3.247 -18.790 1.00 0.00 N ATOM 1137 CA SER A 62 30.265 -4.614 -18.611 1.00 0.00 C ATOM 1138 C SER A 62 28.804 -4.500 -18.138 1.00 0.00 C ATOM 1139 O SER A 62 27.954 -5.289 -18.543 1.00 0.00 O ATOM 1140 CB SER A 62 31.066 -5.412 -17.575 1.00 0.00 C ATOM 1141 OG SER A 62 30.839 -4.865 -16.282 1.00 0.00 O ATOM 0 H SER A 62 31.676 -3.047 -18.213 1.00 0.00 H new ATOM 0 HA SER A 62 30.299 -5.130 -19.571 1.00 0.00 H new ATOM 0 HB2 SER A 62 30.768 -6.460 -17.596 1.00 0.00 H new ATOM 0 HB3 SER A 62 32.129 -5.378 -17.815 1.00 0.00 H new ATOM 0 HG SER A 62 31.348 -5.374 -15.617 1.00 0.00 H new ATOM 1142 N SER A 63 28.490 -3.547 -17.284 1.00 0.00 N ATOM 1143 CA SER A 63 27.073 -3.420 -16.797 1.00 0.00 C ATOM 1144 C SER A 63 26.113 -3.230 -17.985 1.00 0.00 C ATOM 1145 O SER A 63 24.991 -3.739 -17.971 1.00 0.00 O ATOM 1146 CB SER A 63 26.942 -2.219 -15.852 1.00 0.00 C ATOM 1147 OG SER A 63 28.122 -2.106 -15.069 1.00 0.00 O ATOM 0 H SER A 63 29.144 -2.861 -16.908 1.00 0.00 H new ATOM 0 HA SER A 63 26.814 -4.334 -16.263 1.00 0.00 H new ATOM 0 HB2 SER A 63 26.784 -1.306 -16.426 1.00 0.00 H new ATOM 0 HB3 SER A 63 26.073 -2.344 -15.205 1.00 0.00 H new ATOM 0 HG SER A 63 28.042 -1.338 -14.465 1.00 0.00 H new ATOM 1148 N ALA A 64 26.516 -2.515 -19.016 1.00 0.00 N ATOM 1149 CA ALA A 64 25.603 -2.316 -20.184 1.00 0.00 C ATOM 1150 C ALA A 64 25.569 -3.589 -21.043 1.00 0.00 C ATOM 1151 O ALA A 64 24.561 -3.882 -21.684 1.00 0.00 O ATOM 1152 CB ALA A 64 26.084 -1.134 -21.040 1.00 0.00 C ATOM 0 H ALA A 64 27.429 -2.067 -19.095 1.00 0.00 H new ATOM 0 HA ALA A 64 24.601 -2.102 -19.811 1.00 0.00 H new ATOM 0 HB1 ALA A 64 25.411 -1.000 -21.887 1.00 0.00 H new ATOM 0 HB2 ALA A 64 26.092 -0.227 -20.436 1.00 0.00 H new ATOM 0 HB3 ALA A 64 27.091 -1.335 -21.406 1.00 0.00 H new ATOM 1153 N THR A 65 26.641 -4.355 -21.080 1.00 0.00 N ATOM 1154 CA THR A 65 26.629 -5.592 -21.914 1.00 0.00 C ATOM 1155 C THR A 65 25.555 -6.558 -21.385 1.00 0.00 C ATOM 1156 O THR A 65 24.883 -7.232 -22.161 1.00 0.00 O ATOM 1157 CB THR A 65 28.003 -6.287 -21.881 1.00 0.00 C ATOM 1158 OG1 THR A 65 29.045 -5.317 -21.724 1.00 0.00 O ATOM 1159 CG2 THR A 65 28.209 -7.077 -23.181 1.00 0.00 C ATOM 0 H THR A 65 27.508 -4.175 -20.574 1.00 0.00 H new ATOM 0 HA THR A 65 26.404 -5.313 -22.944 1.00 0.00 H new ATOM 0 HB THR A 65 28.037 -6.972 -21.034 1.00 0.00 H new ATOM 0 HG1 THR A 65 29.914 -5.770 -21.703 1.00 0.00 H new ATOM 0 HG21 THR A 65 29.181 -7.569 -23.158 1.00 0.00 H new ATOM 0 HG22 THR A 65 27.425 -7.828 -23.279 1.00 0.00 H new ATOM 0 HG23 THR A 65 28.167 -6.396 -24.031 1.00 0.00 H new ATOM 1160 N ASN A 66 25.373 -6.642 -20.082 1.00 0.00 N ATOM 1161 CA ASN A 66 24.332 -7.570 -19.536 1.00 0.00 C ATOM 1162 C ASN A 66 22.938 -6.942 -19.712 1.00 0.00 C ATOM 1163 O ASN A 66 21.967 -7.645 -19.983 1.00 0.00 O ATOM 1164 CB ASN A 66 24.584 -7.834 -18.045 1.00 0.00 C ATOM 1165 CG ASN A 66 24.270 -9.301 -17.724 1.00 0.00 C ATOM 1166 OD1 ASN A 66 23.372 -9.585 -16.936 1.00 0.00 O ATOM 1167 ND2 ASN A 66 24.963 -10.258 -18.293 1.00 0.00 N ATOM 0 H ASN A 66 25.896 -6.113 -19.384 1.00 0.00 H new ATOM 0 HA ASN A 66 24.383 -8.514 -20.079 1.00 0.00 H new ATOM 0 HB2 ASN A 66 25.621 -7.610 -17.796 1.00 0.00 H new ATOM 0 HB3 ASN A 66 23.961 -7.177 -17.438 1.00 0.00 H new ATOM 0 HD21 ASN A 66 24.755 -11.234 -18.080 1.00 0.00 H new ATOM 0 HD22 ASN A 66 25.710 -10.027 -18.948 1.00 0.00 H new ATOM 1168 N ALA A 67 22.810 -5.638 -19.567 1.00 0.00 N ATOM 1169 CA ALA A 67 21.462 -5.001 -19.738 1.00 0.00 C ATOM 1170 C ALA A 67 21.060 -4.917 -21.230 1.00 0.00 C ATOM 1171 O ALA A 67 19.924 -4.559 -21.539 1.00 0.00 O ATOM 1172 CB ALA A 67 21.474 -3.583 -19.153 1.00 0.00 C ATOM 0 H ALA A 67 23.571 -4.997 -19.341 1.00 0.00 H new ATOM 0 HA ALA A 67 20.737 -5.623 -19.212 1.00 0.00 H new ATOM 0 HB1 ALA A 67 20.492 -3.128 -19.281 1.00 0.00 H new ATOM 0 HB2 ALA A 67 21.716 -3.629 -18.091 1.00 0.00 H new ATOM 0 HB3 ALA A 67 22.222 -2.982 -19.670 1.00 0.00 H new ATOM 1173 N LEU A 68 21.943 -5.218 -22.166 1.00 0.00 N ATOM 1174 CA LEU A 68 21.558 -5.122 -23.607 1.00 0.00 C ATOM 1175 C LEU A 68 21.235 -6.518 -24.164 1.00 0.00 C ATOM 1176 O LEU A 68 20.216 -6.709 -24.825 1.00 0.00 O ATOM 1177 CB LEU A 68 22.719 -4.513 -24.398 1.00 0.00 C ATOM 1178 CG LEU A 68 22.193 -3.911 -25.709 1.00 0.00 C ATOM 1179 CD1 LEU A 68 22.849 -2.548 -25.945 1.00 0.00 C ATOM 1180 CD2 LEU A 68 22.529 -4.847 -26.875 1.00 0.00 C ATOM 0 H LEU A 68 22.901 -5.522 -21.990 1.00 0.00 H new ATOM 0 HA LEU A 68 20.674 -4.491 -23.701 1.00 0.00 H new ATOM 0 HB2 LEU A 68 23.211 -3.743 -23.805 1.00 0.00 H new ATOM 0 HB3 LEU A 68 23.466 -5.277 -24.612 1.00 0.00 H new ATOM 0 HG LEU A 68 21.112 -3.788 -25.642 1.00 0.00 H new ATOM 0 HD11 LEU A 68 22.476 -2.121 -26.876 1.00 0.00 H new ATOM 0 HD12 LEU A 68 22.609 -1.881 -25.117 1.00 0.00 H new ATOM 0 HD13 LEU A 68 23.930 -2.671 -26.010 1.00 0.00 H new ATOM 0 HD21 LEU A 68 22.155 -4.419 -27.805 1.00 0.00 H new ATOM 0 HD22 LEU A 68 23.610 -4.972 -26.942 1.00 0.00 H new ATOM 0 HD23 LEU A 68 22.061 -5.817 -26.709 1.00 0.00 H new ATOM 1181 N ARG A 69 22.079 -7.498 -23.920 1.00 0.00 N ATOM 1182 CA ARG A 69 21.796 -8.872 -24.455 1.00 0.00 C ATOM 1183 C ARG A 69 20.609 -9.482 -23.698 1.00 0.00 C ATOM 1184 O ARG A 69 19.735 -10.109 -24.296 1.00 0.00 O ATOM 1185 CB ARG A 69 23.026 -9.773 -24.286 1.00 0.00 C ATOM 1186 CG ARG A 69 24.206 -9.172 -25.050 1.00 0.00 C ATOM 1187 CD ARG A 69 25.434 -10.068 -24.882 1.00 0.00 C ATOM 1188 NE ARG A 69 25.181 -11.386 -25.532 1.00 0.00 N ATOM 1189 CZ ARG A 69 24.945 -12.440 -24.799 1.00 0.00 C ATOM 1190 NH1 ARG A 69 25.853 -12.876 -23.969 1.00 0.00 N ATOM 1191 NH2 ARG A 69 23.800 -13.059 -24.898 1.00 0.00 N ATOM 0 H ARG A 69 22.940 -7.408 -23.381 1.00 0.00 H new ATOM 0 HA ARG A 69 21.557 -8.795 -25.516 1.00 0.00 H new ATOM 0 HB2 ARG A 69 23.275 -9.872 -23.230 1.00 0.00 H new ATOM 0 HB3 ARG A 69 22.810 -10.775 -24.658 1.00 0.00 H new ATOM 0 HG2 ARG A 69 23.956 -9.074 -26.106 1.00 0.00 H new ATOM 0 HG3 ARG A 69 24.421 -8.170 -24.679 1.00 0.00 H new ATOM 0 HD2 ARG A 69 26.308 -9.593 -25.328 1.00 0.00 H new ATOM 0 HD3 ARG A 69 25.653 -10.209 -23.823 1.00 0.00 H new ATOM 0 HE ARG A 69 25.192 -11.464 -26.549 1.00 0.00 H new ATOM 0 HH11 ARG A 69 26.748 -12.393 -23.893 1.00 0.00 H new ATOM 0 HH12 ARG A 69 25.667 -13.700 -23.397 1.00 0.00 H new ATOM 0 HH21 ARG A 69 23.091 -12.719 -25.548 1.00 0.00 H new ATOM 0 HH22 ARG A 69 23.614 -13.883 -24.326 1.00 0.00 H new ATOM 1192 N SER A 70 20.551 -9.311 -22.397 1.00 0.00 N ATOM 1193 CA SER A 70 19.405 -9.887 -21.621 1.00 0.00 C ATOM 1194 C SER A 70 18.099 -9.197 -22.047 1.00 0.00 C ATOM 1195 O SER A 70 17.053 -9.837 -22.140 1.00 0.00 O ATOM 1196 CB SER A 70 19.618 -9.677 -20.116 1.00 0.00 C ATOM 1197 OG SER A 70 20.584 -10.606 -19.645 1.00 0.00 O ATOM 0 H SER A 70 21.241 -8.803 -21.844 1.00 0.00 H new ATOM 0 HA SER A 70 19.346 -10.956 -21.826 1.00 0.00 H new ATOM 0 HB2 SER A 70 19.952 -8.658 -19.923 1.00 0.00 H new ATOM 0 HB3 SER A 70 18.677 -9.810 -19.582 1.00 0.00 H new ATOM 0 HG SER A 70 20.724 -10.474 -18.684 1.00 0.00 H new ATOM 1198 N MET A 71 18.129 -7.906 -22.313 1.00 0.00 N ATOM 1199 CA MET A 71 16.881 -7.203 -22.730 1.00 0.00 C ATOM 1200 C MET A 71 16.902 -6.957 -24.248 1.00 0.00 C ATOM 1201 O MET A 71 16.409 -5.935 -24.723 1.00 0.00 O ATOM 1202 CB MET A 71 16.783 -5.862 -21.999 1.00 0.00 C ATOM 1203 CG MET A 71 16.739 -6.104 -20.489 1.00 0.00 C ATOM 1204 SD MET A 71 15.110 -6.743 -20.024 1.00 0.00 S ATOM 1205 CE MET A 71 14.224 -5.166 -20.068 1.00 0.00 C ATOM 0 H MET A 71 18.961 -7.319 -22.258 1.00 0.00 H new ATOM 0 HA MET A 71 16.020 -7.822 -22.478 1.00 0.00 H new ATOM 0 HB2 MET A 71 17.638 -5.235 -22.252 1.00 0.00 H new ATOM 0 HB3 MET A 71 15.889 -5.327 -22.318 1.00 0.00 H new ATOM 0 HG2 MET A 71 17.515 -6.814 -20.201 1.00 0.00 H new ATOM 0 HG3 MET A 71 16.943 -5.176 -19.956 1.00 0.00 H new ATOM 0 HE1 MET A 71 13.881 -4.913 -19.065 1.00 0.00 H new ATOM 0 HE2 MET A 71 14.891 -4.384 -20.432 1.00 0.00 H new ATOM 0 HE3 MET A 71 13.365 -5.249 -20.734 1.00 0.00 H new ATOM 1206 N GLN A 72 17.452 -7.868 -25.027 1.00 0.00 N ATOM 1207 CA GLN A 72 17.476 -7.656 -26.511 1.00 0.00 C ATOM 1208 C GLN A 72 16.046 -7.794 -27.050 1.00 0.00 C ATOM 1209 O GLN A 72 15.459 -8.874 -27.003 1.00 0.00 O ATOM 1210 CB GLN A 72 18.379 -8.697 -27.187 1.00 0.00 C ATOM 1211 CG GLN A 72 18.460 -8.407 -28.687 1.00 0.00 C ATOM 1212 CD GLN A 72 19.717 -7.578 -28.980 1.00 0.00 C ATOM 1213 OE1 GLN A 72 20.791 -8.133 -29.198 1.00 0.00 O ATOM 1214 NE2 GLN A 72 19.646 -6.269 -29.000 1.00 0.00 N ATOM 0 H GLN A 72 17.878 -8.736 -24.702 1.00 0.00 H new ATOM 0 HA GLN A 72 17.869 -6.663 -26.727 1.00 0.00 H new ATOM 0 HB2 GLN A 72 19.376 -8.670 -26.746 1.00 0.00 H new ATOM 0 HB3 GLN A 72 17.984 -9.699 -27.021 1.00 0.00 H new ATOM 0 HG2 GLN A 72 18.488 -9.341 -29.248 1.00 0.00 H new ATOM 0 HG3 GLN A 72 17.571 -7.867 -29.012 1.00 0.00 H new ATOM 0 HE21 GLN A 72 18.756 -5.804 -28.820 1.00 0.00 H new ATOM 0 HE22 GLN A 72 20.480 -5.716 -29.196 1.00 0.00 H new ATOM 1215 N GLY A 73 15.462 -6.726 -27.551 1.00 0.00 N ATOM 1216 CA GLY A 73 14.067 -6.822 -28.068 1.00 0.00 C ATOM 1217 C GLY A 73 13.144 -7.230 -26.912 1.00 0.00 C ATOM 1218 O GLY A 73 12.641 -8.351 -26.873 1.00 0.00 O ATOM 0 H GLY A 73 15.891 -5.803 -27.621 1.00 0.00 H new ATOM 0 HA2 GLY A 73 13.751 -5.866 -28.485 1.00 0.00 H new ATOM 0 HA3 GLY A 73 14.011 -7.555 -28.873 1.00 0.00 H new ATOM 1219 N PHE A 74 12.919 -6.350 -25.958 1.00 0.00 N ATOM 1220 CA PHE A 74 12.041 -6.711 -24.806 1.00 0.00 C ATOM 1221 C PHE A 74 10.823 -5.771 -24.762 1.00 0.00 C ATOM 1222 O PHE A 74 10.770 -4.802 -25.517 1.00 0.00 O ATOM 1223 CB PHE A 74 12.841 -6.577 -23.503 1.00 0.00 C ATOM 1224 CG PHE A 74 13.138 -7.947 -22.938 1.00 0.00 C ATOM 1225 CD1 PHE A 74 13.728 -8.926 -23.747 1.00 0.00 C ATOM 1226 CD2 PHE A 74 12.824 -8.236 -21.606 1.00 0.00 C ATOM 1227 CE1 PHE A 74 14.004 -10.194 -23.222 1.00 0.00 C ATOM 1228 CE2 PHE A 74 13.099 -9.504 -21.080 1.00 0.00 C ATOM 1229 CZ PHE A 74 13.690 -10.483 -21.888 1.00 0.00 C ATOM 0 H PHE A 74 13.305 -5.406 -25.932 1.00 0.00 H new ATOM 0 HA PHE A 74 11.694 -7.738 -24.922 1.00 0.00 H new ATOM 0 HB2 PHE A 74 13.772 -6.042 -23.691 1.00 0.00 H new ATOM 0 HB3 PHE A 74 12.277 -5.990 -22.778 1.00 0.00 H new ATOM 0 HD1 PHE A 74 13.970 -8.703 -24.776 1.00 0.00 H new ATOM 0 HD2 PHE A 74 12.369 -7.480 -20.983 1.00 0.00 H new ATOM 0 HE1 PHE A 74 14.459 -10.949 -23.846 1.00 0.00 H new ATOM 0 HE2 PHE A 74 12.855 -9.727 -20.052 1.00 0.00 H new ATOM 0 HZ PHE A 74 13.904 -11.461 -21.483 1.00 0.00 H new ATOM 1230 N PRO A 75 9.870 -6.062 -23.890 1.00 0.00 N ATOM 1231 CA PRO A 75 8.658 -5.235 -23.756 1.00 0.00 C ATOM 1232 C PRO A 75 8.966 -3.954 -22.964 1.00 0.00 C ATOM 1233 O PRO A 75 9.711 -3.981 -21.985 1.00 0.00 O ATOM 1234 CB PRO A 75 7.684 -6.132 -22.988 1.00 0.00 C ATOM 1235 CG PRO A 75 8.546 -7.173 -22.238 1.00 0.00 C ATOM 1236 CD PRO A 75 9.903 -7.225 -22.964 1.00 0.00 C ATOM 0 HA PRO A 75 8.257 -4.910 -24.716 1.00 0.00 H new ATOM 0 HB2 PRO A 75 7.086 -5.547 -22.289 1.00 0.00 H new ATOM 0 HB3 PRO A 75 6.989 -6.622 -23.669 1.00 0.00 H new ATOM 0 HG2 PRO A 75 8.676 -6.889 -21.194 1.00 0.00 H new ATOM 0 HG3 PRO A 75 8.065 -8.151 -22.245 1.00 0.00 H new ATOM 0 HD2 PRO A 75 10.733 -7.150 -22.261 1.00 0.00 H new ATOM 0 HD3 PRO A 75 10.028 -8.162 -23.507 1.00 0.00 H new ATOM 1237 N PHE A 76 8.413 -2.831 -23.365 1.00 0.00 N ATOM 1238 CA PHE A 76 8.681 -1.559 -22.634 1.00 0.00 C ATOM 1239 C PHE A 76 7.566 -0.548 -22.950 1.00 0.00 C ATOM 1240 O PHE A 76 7.436 -0.094 -24.084 1.00 0.00 O ATOM 1241 CB PHE A 76 10.035 -0.998 -23.083 1.00 0.00 C ATOM 1242 CG PHE A 76 10.581 -0.049 -22.039 1.00 0.00 C ATOM 1243 CD1 PHE A 76 10.611 -0.424 -20.688 1.00 0.00 C ATOM 1244 CD2 PHE A 76 11.065 1.207 -22.425 1.00 0.00 C ATOM 1245 CE1 PHE A 76 11.122 0.458 -19.728 1.00 0.00 C ATOM 1246 CE2 PHE A 76 11.577 2.087 -21.465 1.00 0.00 C ATOM 1247 CZ PHE A 76 11.604 1.714 -20.117 1.00 0.00 C ATOM 0 H PHE A 76 7.789 -2.746 -24.167 1.00 0.00 H new ATOM 0 HA PHE A 76 8.704 -1.744 -21.560 1.00 0.00 H new ATOM 0 HB2 PHE A 76 10.739 -1.814 -23.246 1.00 0.00 H new ATOM 0 HB3 PHE A 76 9.924 -0.478 -24.035 1.00 0.00 H new ATOM 0 HD1 PHE A 76 10.240 -1.393 -20.388 1.00 0.00 H new ATOM 0 HD2 PHE A 76 11.043 1.497 -23.465 1.00 0.00 H new ATOM 0 HE1 PHE A 76 11.144 0.170 -18.687 1.00 0.00 H new ATOM 0 HE2 PHE A 76 11.951 3.055 -21.765 1.00 0.00 H new ATOM 0 HZ PHE A 76 11.997 2.395 -19.376 1.00 0.00 H new ATOM 1248 N TYR A 77 6.753 -0.198 -21.977 1.00 0.00 N ATOM 1249 CA TYR A 77 5.650 0.772 -22.231 1.00 0.00 C ATOM 1250 C TYR A 77 4.690 0.208 -23.291 1.00 0.00 C ATOM 1251 O TYR A 77 4.234 0.931 -24.175 1.00 0.00 O ATOM 1252 CB TYR A 77 6.229 2.103 -22.708 1.00 0.00 C ATOM 1253 CG TYR A 77 6.855 2.800 -21.533 1.00 0.00 C ATOM 1254 CD1 TYR A 77 7.955 2.229 -20.892 1.00 0.00 C ATOM 1255 CD2 TYR A 77 6.331 4.009 -21.080 1.00 0.00 C ATOM 1256 CE1 TYR A 77 8.535 2.866 -19.796 1.00 0.00 C ATOM 1257 CE2 TYR A 77 6.907 4.658 -19.981 1.00 0.00 C ATOM 1258 CZ TYR A 77 8.013 4.084 -19.336 1.00 0.00 C ATOM 1259 OH TYR A 77 8.585 4.716 -18.251 1.00 0.00 O ATOM 0 H TYR A 77 6.811 -0.546 -21.020 1.00 0.00 H new ATOM 0 HA TYR A 77 5.099 0.935 -21.305 1.00 0.00 H new ATOM 0 HB2 TYR A 77 6.971 1.935 -23.488 1.00 0.00 H new ATOM 0 HB3 TYR A 77 5.445 2.723 -23.142 1.00 0.00 H new ATOM 0 HD1 TYR A 77 8.358 1.291 -21.246 1.00 0.00 H new ATOM 0 HD2 TYR A 77 5.478 4.447 -21.578 1.00 0.00 H new ATOM 0 HE1 TYR A 77 9.386 2.422 -19.301 1.00 0.00 H new ATOM 0 HE2 TYR A 77 6.502 5.596 -19.631 1.00 0.00 H new ATOM 0 HH TYR A 77 7.897 5.215 -17.763 1.00 0.00 H new ATOM 1260 N ASP A 78 4.366 -1.065 -23.218 1.00 0.00 N ATOM 1261 CA ASP A 78 3.430 -1.656 -24.218 1.00 0.00 C ATOM 1262 C ASP A 78 3.983 -1.451 -25.638 1.00 0.00 C ATOM 1263 O ASP A 78 3.377 -0.762 -26.457 1.00 0.00 O ATOM 1264 CB ASP A 78 2.063 -0.978 -24.097 1.00 0.00 C ATOM 1265 CG ASP A 78 1.053 -1.701 -24.990 1.00 0.00 C ATOM 1266 OD1 ASP A 78 0.458 -2.659 -24.523 1.00 0.00 O ATOM 1267 OD2 ASP A 78 0.892 -1.286 -26.125 1.00 0.00 O ATOM 0 H ASP A 78 4.711 -1.713 -22.510 1.00 0.00 H new ATOM 0 HA ASP A 78 3.327 -2.724 -24.027 1.00 0.00 H new ATOM 0 HB2 ASP A 78 1.727 -0.997 -23.060 1.00 0.00 H new ATOM 0 HB3 ASP A 78 2.138 0.070 -24.389 1.00 0.00 H new ATOM 1268 N LYS A 79 5.118 -2.039 -25.956 1.00 0.00 N ATOM 1269 CA LYS A 79 5.684 -1.868 -27.334 1.00 0.00 C ATOM 1270 C LYS A 79 7.018 -2.636 -27.463 1.00 0.00 C ATOM 1271 O LYS A 79 7.781 -2.690 -26.502 1.00 0.00 O ATOM 1272 CB LYS A 79 5.933 -0.379 -27.603 1.00 0.00 C ATOM 1273 CG LYS A 79 5.595 -0.056 -29.061 1.00 0.00 C ATOM 1274 CD LYS A 79 5.167 1.407 -29.176 1.00 0.00 C ATOM 1275 CE LYS A 79 5.322 1.874 -30.625 1.00 0.00 C ATOM 1276 NZ LYS A 79 5.395 3.361 -30.663 1.00 0.00 N ATOM 0 H LYS A 79 5.670 -2.623 -25.327 1.00 0.00 H new ATOM 0 HA LYS A 79 4.972 -2.263 -28.059 1.00 0.00 H new ATOM 0 HB2 LYS A 79 5.323 0.228 -26.935 1.00 0.00 H new ATOM 0 HB3 LYS A 79 6.974 -0.131 -27.397 1.00 0.00 H new ATOM 0 HG2 LYS A 79 6.461 -0.243 -29.696 1.00 0.00 H new ATOM 0 HG3 LYS A 79 4.795 -0.708 -29.413 1.00 0.00 H new ATOM 0 HD2 LYS A 79 4.131 1.520 -28.856 1.00 0.00 H new ATOM 0 HD3 LYS A 79 5.774 2.027 -28.516 1.00 0.00 H new ATOM 0 HE2 LYS A 79 6.223 1.444 -31.062 1.00 0.00 H new ATOM 0 HE3 LYS A 79 4.480 1.525 -31.223 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 5.551 3.676 -31.642 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 4.503 3.762 -30.309 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 6.182 3.685 -30.065 1.00 0.00 H new ATOM 1277 N PRO A 80 7.286 -3.210 -28.625 1.00 0.00 N ATOM 1278 CA PRO A 80 8.535 -3.960 -28.847 1.00 0.00 C ATOM 1279 C PRO A 80 9.697 -2.986 -29.089 1.00 0.00 C ATOM 1280 O PRO A 80 9.615 -2.118 -29.959 1.00 0.00 O ATOM 1281 CB PRO A 80 8.247 -4.789 -30.101 1.00 0.00 C ATOM 1282 CG PRO A 80 7.103 -4.066 -30.849 1.00 0.00 C ATOM 1283 CD PRO A 80 6.397 -3.170 -29.815 1.00 0.00 C ATOM 0 HA PRO A 80 8.822 -4.579 -27.997 1.00 0.00 H new ATOM 0 HB2 PRO A 80 9.135 -4.865 -30.729 1.00 0.00 H new ATOM 0 HB3 PRO A 80 7.956 -5.806 -29.836 1.00 0.00 H new ATOM 0 HG2 PRO A 80 7.495 -3.471 -31.674 1.00 0.00 H new ATOM 0 HG3 PRO A 80 6.406 -4.785 -31.278 1.00 0.00 H new ATOM 0 HD2 PRO A 80 6.276 -2.153 -30.187 1.00 0.00 H new ATOM 0 HD3 PRO A 80 5.400 -3.544 -29.580 1.00 0.00 H new ATOM 1284 N MET A 81 10.776 -3.099 -28.344 1.00 0.00 N ATOM 1285 CA MET A 81 11.917 -2.162 -28.552 1.00 0.00 C ATOM 1286 C MET A 81 13.246 -2.938 -28.553 1.00 0.00 C ATOM 1287 O MET A 81 13.480 -3.799 -27.702 1.00 0.00 O ATOM 1288 CB MET A 81 11.934 -1.112 -27.435 1.00 0.00 C ATOM 1289 CG MET A 81 11.874 -1.798 -26.067 1.00 0.00 C ATOM 1290 SD MET A 81 12.681 -0.749 -24.831 1.00 0.00 S ATOM 1291 CE MET A 81 13.540 -2.066 -23.936 1.00 0.00 C ATOM 0 H MET A 81 10.910 -3.794 -27.610 1.00 0.00 H new ATOM 0 HA MET A 81 11.796 -1.665 -29.515 1.00 0.00 H new ATOM 0 HB2 MET A 81 12.838 -0.507 -27.508 1.00 0.00 H new ATOM 0 HB3 MET A 81 11.087 -0.435 -27.549 1.00 0.00 H new ATOM 0 HG2 MET A 81 10.837 -1.980 -25.784 1.00 0.00 H new ATOM 0 HG3 MET A 81 12.367 -2.769 -26.113 1.00 0.00 H new ATOM 0 HE1 MET A 81 14.054 -1.644 -23.072 1.00 0.00 H new ATOM 0 HE2 MET A 81 12.817 -2.809 -23.600 1.00 0.00 H new ATOM 0 HE3 MET A 81 14.267 -2.540 -24.595 1.00 0.00 H new ATOM 1292 N ARG A 82 14.127 -2.645 -29.487 1.00 0.00 N ATOM 1293 CA ARG A 82 15.436 -3.355 -29.530 1.00 0.00 C ATOM 1294 C ARG A 82 16.524 -2.409 -29.008 1.00 0.00 C ATOM 1295 O ARG A 82 16.442 -1.196 -29.194 1.00 0.00 O ATOM 1296 CB ARG A 82 15.753 -3.760 -30.972 1.00 0.00 C ATOM 1297 CG ARG A 82 14.612 -4.616 -31.526 1.00 0.00 C ATOM 1298 CD ARG A 82 15.178 -5.667 -32.483 1.00 0.00 C ATOM 1299 NE ARG A 82 14.191 -5.933 -33.568 1.00 0.00 N ATOM 1300 CZ ARG A 82 14.401 -5.466 -34.769 1.00 0.00 C ATOM 1301 NH1 ARG A 82 15.321 -5.999 -35.525 1.00 0.00 N ATOM 1302 NH2 ARG A 82 13.688 -4.467 -35.214 1.00 0.00 N ATOM 0 H ARG A 82 13.990 -1.945 -30.216 1.00 0.00 H new ATOM 0 HA ARG A 82 15.395 -4.251 -28.911 1.00 0.00 H new ATOM 0 HB2 ARG A 82 15.888 -2.872 -31.589 1.00 0.00 H new ATOM 0 HB3 ARG A 82 16.689 -4.317 -31.007 1.00 0.00 H new ATOM 0 HG2 ARG A 82 14.079 -5.103 -30.709 1.00 0.00 H new ATOM 0 HG3 ARG A 82 13.891 -3.986 -32.047 1.00 0.00 H new ATOM 0 HD2 ARG A 82 16.118 -5.317 -32.910 1.00 0.00 H new ATOM 0 HD3 ARG A 82 15.396 -6.587 -31.942 1.00 0.00 H new ATOM 0 HE ARG A 82 13.352 -6.479 -33.372 1.00 0.00 H new ATOM 0 HH11 ARG A 82 15.877 -6.781 -35.178 1.00 0.00 H new ATOM 0 HH12 ARG A 82 15.485 -5.634 -36.463 1.00 0.00 H new ATOM 0 HH21 ARG A 82 12.967 -4.052 -34.623 1.00 0.00 H new ATOM 0 HH22 ARG A 82 13.852 -4.102 -36.152 1.00 0.00 H new ATOM 1303 N ILE A 83 17.536 -2.926 -28.346 1.00 0.00 N ATOM 1304 CA ILE A 83 18.601 -2.029 -27.811 1.00 0.00 C ATOM 1305 C ILE A 83 19.891 -2.184 -28.633 1.00 0.00 C ATOM 1306 O ILE A 83 20.303 -3.293 -28.966 1.00 0.00 O ATOM 1307 CB ILE A 83 18.879 -2.387 -26.351 1.00 0.00 C ATOM 1308 CG1 ILE A 83 17.571 -2.309 -25.557 1.00 0.00 C ATOM 1309 CG2 ILE A 83 19.894 -1.402 -25.763 1.00 0.00 C ATOM 1310 CD1 ILE A 83 17.809 -2.789 -24.126 1.00 0.00 C ATOM 0 H ILE A 83 17.665 -3.920 -28.157 1.00 0.00 H new ATOM 0 HA ILE A 83 18.262 -0.995 -27.879 1.00 0.00 H new ATOM 0 HB ILE A 83 19.285 -3.397 -26.293 1.00 0.00 H new ATOM 0 HG12 ILE A 83 17.199 -1.285 -25.550 1.00 0.00 H new ATOM 0 HG13 ILE A 83 16.807 -2.923 -26.035 1.00 0.00 H new ATOM 0 HG21 ILE A 83 20.090 -1.660 -24.722 1.00 0.00 H new ATOM 0 HG22 ILE A 83 20.823 -1.454 -26.331 1.00 0.00 H new ATOM 0 HG23 ILE A 83 19.492 -0.390 -25.817 1.00 0.00 H new ATOM 0 HD11 ILE A 83 16.877 -2.732 -23.564 1.00 0.00 H new ATOM 0 HD12 ILE A 83 18.161 -3.820 -24.142 1.00 0.00 H new ATOM 0 HD13 ILE A 83 18.559 -2.157 -23.650 1.00 0.00 H new ATOM 1311 N GLN A 84 20.543 -1.088 -28.958 1.00 0.00 N ATOM 1312 CA GLN A 84 21.810 -1.170 -29.746 1.00 0.00 C ATOM 1313 C GLN A 84 22.842 -0.246 -29.089 1.00 0.00 C ATOM 1314 O GLN A 84 22.532 0.895 -28.759 1.00 0.00 O ATOM 1315 CB GLN A 84 21.596 -0.704 -31.198 1.00 0.00 C ATOM 1316 CG GLN A 84 20.182 -1.046 -31.689 1.00 0.00 C ATOM 1317 CD GLN A 84 19.225 0.104 -31.342 1.00 0.00 C ATOM 1318 OE1 GLN A 84 18.227 -0.106 -30.655 1.00 0.00 O ATOM 1319 NE2 GLN A 84 19.467 1.317 -31.780 1.00 0.00 N ATOM 0 H GLN A 84 20.249 -0.143 -28.710 1.00 0.00 H new ATOM 0 HA GLN A 84 22.148 -2.206 -29.760 1.00 0.00 H new ATOM 0 HB2 GLN A 84 21.756 0.372 -31.265 1.00 0.00 H new ATOM 0 HB3 GLN A 84 22.333 -1.177 -31.847 1.00 0.00 H new ATOM 0 HG2 GLN A 84 20.190 -1.213 -32.766 1.00 0.00 H new ATOM 0 HG3 GLN A 84 19.839 -1.971 -31.225 1.00 0.00 H new ATOM 0 HE21 GLN A 84 20.293 1.498 -32.350 1.00 0.00 H new ATOM 0 HE22 GLN A 84 18.829 2.079 -31.550 1.00 0.00 H new ATOM 1320 N TYR A 85 24.062 -0.698 -28.888 1.00 0.00 N ATOM 1321 CA TYR A 85 25.089 0.194 -28.242 1.00 0.00 C ATOM 1322 C TYR A 85 25.142 1.545 -28.976 1.00 0.00 C ATOM 1323 O TYR A 85 25.168 1.591 -30.205 1.00 0.00 O ATOM 1324 CB TYR A 85 26.475 -0.463 -28.290 1.00 0.00 C ATOM 1325 CG TYR A 85 26.475 -1.698 -27.420 1.00 0.00 C ATOM 1326 CD1 TYR A 85 26.191 -1.592 -26.052 1.00 0.00 C ATOM 1327 CD2 TYR A 85 26.756 -2.950 -27.983 1.00 0.00 C ATOM 1328 CE1 TYR A 85 26.189 -2.737 -25.247 1.00 0.00 C ATOM 1329 CE2 TYR A 85 26.751 -4.094 -27.178 1.00 0.00 C ATOM 1330 CZ TYR A 85 26.469 -3.989 -25.813 1.00 0.00 C ATOM 1331 OH TYR A 85 26.465 -5.121 -25.025 1.00 0.00 O ATOM 0 H TYR A 85 24.389 -1.631 -29.138 1.00 0.00 H new ATOM 0 HA TYR A 85 24.805 0.352 -27.202 1.00 0.00 H new ATOM 0 HB2 TYR A 85 26.729 -0.728 -29.316 1.00 0.00 H new ATOM 0 HB3 TYR A 85 27.234 0.239 -27.945 1.00 0.00 H new ATOM 0 HD1 TYR A 85 25.974 -0.627 -25.619 1.00 0.00 H new ATOM 0 HD2 TYR A 85 26.976 -3.032 -29.037 1.00 0.00 H new ATOM 0 HE1 TYR A 85 25.972 -2.656 -24.192 1.00 0.00 H new ATOM 0 HE2 TYR A 85 26.965 -5.060 -27.612 1.00 0.00 H new ATOM 0 HH TYR A 85 26.678 -5.903 -25.575 1.00 0.00 H new ATOM 1332 N ALA A 86 25.152 2.649 -28.254 1.00 0.00 N ATOM 1333 CA ALA A 86 25.196 3.985 -28.939 1.00 0.00 C ATOM 1334 C ALA A 86 26.405 4.035 -29.888 1.00 0.00 C ATOM 1335 O ALA A 86 27.123 3.048 -30.041 1.00 0.00 O ATOM 1336 CB ALA A 86 25.310 5.118 -27.906 1.00 0.00 C ATOM 0 H ALA A 86 25.132 2.681 -27.235 1.00 0.00 H new ATOM 0 HA ALA A 86 24.274 4.118 -29.506 1.00 0.00 H new ATOM 0 HB1 ALA A 86 25.341 6.078 -28.421 1.00 0.00 H new ATOM 0 HB2 ALA A 86 24.448 5.091 -27.240 1.00 0.00 H new ATOM 0 HB3 ALA A 86 26.223 4.989 -27.324 1.00 0.00 H new ATOM 1337 N LYS A 87 26.647 5.155 -30.535 1.00 0.00 N ATOM 1338 CA LYS A 87 27.809 5.235 -31.471 1.00 0.00 C ATOM 1339 C LYS A 87 29.036 5.763 -30.714 1.00 0.00 C ATOM 1340 O LYS A 87 30.141 5.244 -30.866 1.00 0.00 O ATOM 1341 CB LYS A 87 27.493 6.180 -32.642 1.00 0.00 C ATOM 1342 CG LYS A 87 26.063 5.939 -33.150 1.00 0.00 C ATOM 1343 CD LYS A 87 25.845 6.657 -34.489 1.00 0.00 C ATOM 1344 CE LYS A 87 26.094 8.161 -34.326 1.00 0.00 C ATOM 1345 NZ LYS A 87 25.462 8.898 -35.458 1.00 0.00 N ATOM 0 H LYS A 87 26.093 6.008 -30.454 1.00 0.00 H new ATOM 0 HA LYS A 87 28.012 4.239 -31.865 1.00 0.00 H new ATOM 0 HB2 LYS A 87 27.603 7.216 -32.322 1.00 0.00 H new ATOM 0 HB3 LYS A 87 28.206 6.019 -33.451 1.00 0.00 H new ATOM 0 HG2 LYS A 87 25.888 4.870 -33.270 1.00 0.00 H new ATOM 0 HG3 LYS A 87 25.343 6.299 -32.415 1.00 0.00 H new ATOM 0 HD2 LYS A 87 26.518 6.249 -35.243 1.00 0.00 H new ATOM 0 HD3 LYS A 87 24.828 6.485 -34.842 1.00 0.00 H new ATOM 0 HE2 LYS A 87 25.682 8.507 -33.378 1.00 0.00 H new ATOM 0 HE3 LYS A 87 27.165 8.362 -34.301 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 25.632 9.918 -35.346 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 25.875 8.575 -36.356 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 24.438 8.716 -35.462 1.00 0.00 H new ATOM 1346 N THR A 88 28.873 6.788 -29.903 1.00 0.00 N ATOM 1347 CA THR A 88 30.036 7.334 -29.152 1.00 0.00 C ATOM 1348 C THR A 88 29.953 6.887 -27.684 1.00 0.00 C ATOM 1349 O THR A 88 29.019 6.190 -27.291 1.00 0.00 O ATOM 1350 CB THR A 88 30.014 8.863 -29.227 1.00 0.00 C ATOM 1351 OG1 THR A 88 28.685 9.326 -29.028 1.00 0.00 O ATOM 1352 CG2 THR A 88 30.514 9.314 -30.601 1.00 0.00 C ATOM 0 H THR A 88 27.986 7.262 -29.735 1.00 0.00 H new ATOM 0 HA THR A 88 30.962 6.962 -29.590 1.00 0.00 H new ATOM 0 HB THR A 88 30.662 9.276 -28.454 1.00 0.00 H new ATOM 0 HG1 THR A 88 28.669 10.305 -29.074 1.00 0.00 H new ATOM 0 HG21 THR A 88 30.498 10.403 -30.655 1.00 0.00 H new ATOM 0 HG22 THR A 88 31.533 8.958 -30.752 1.00 0.00 H new ATOM 0 HG23 THR A 88 29.867 8.903 -31.376 1.00 0.00 H new ATOM 1353 N ASP A 89 30.907 7.271 -26.862 1.00 0.00 N ATOM 1354 CA ASP A 89 30.861 6.855 -25.427 1.00 0.00 C ATOM 1355 C ASP A 89 30.165 7.946 -24.600 1.00 0.00 C ATOM 1356 O ASP A 89 29.786 8.989 -25.129 1.00 0.00 O ATOM 1357 CB ASP A 89 32.285 6.648 -24.900 1.00 0.00 C ATOM 1358 CG ASP A 89 33.054 5.732 -25.854 1.00 0.00 C ATOM 1359 OD1 ASP A 89 33.593 6.237 -26.825 1.00 0.00 O ATOM 1360 OD2 ASP A 89 33.092 4.540 -25.597 1.00 0.00 O ATOM 0 H ASP A 89 31.706 7.849 -27.123 1.00 0.00 H new ATOM 0 HA ASP A 89 30.306 5.921 -25.342 1.00 0.00 H new ATOM 0 HB2 ASP A 89 32.794 7.608 -24.811 1.00 0.00 H new ATOM 0 HB3 ASP A 89 32.255 6.209 -23.903 1.00 0.00 H new ATOM 1361 N SER A 90 29.988 7.733 -23.313 1.00 0.00 N ATOM 1362 CA SER A 90 29.315 8.780 -22.477 1.00 0.00 C ATOM 1363 C SER A 90 30.270 9.965 -22.277 1.00 0.00 C ATOM 1364 O SER A 90 31.489 9.809 -22.340 1.00 0.00 O ATOM 1365 CB SER A 90 28.917 8.213 -21.105 1.00 0.00 C ATOM 1366 OG SER A 90 29.888 7.258 -20.681 1.00 0.00 O ATOM 0 H SER A 90 30.276 6.892 -22.813 1.00 0.00 H new ATOM 0 HA SER A 90 28.413 9.108 -22.994 1.00 0.00 H new ATOM 0 HB2 SER A 90 28.842 9.019 -20.375 1.00 0.00 H new ATOM 0 HB3 SER A 90 27.934 7.745 -21.165 1.00 0.00 H new ATOM 0 HG SER A 90 29.457 6.387 -20.554 1.00 0.00 H new ATOM 1367 N ASP A 91 29.749 11.150 -22.038 1.00 0.00 N ATOM 1368 CA ASP A 91 30.636 12.329 -21.838 1.00 0.00 C ATOM 1369 C ASP A 91 30.929 12.526 -20.345 1.00 0.00 C ATOM 1370 O ASP A 91 32.002 13.006 -19.983 1.00 0.00 O ATOM 1371 CB ASP A 91 29.972 13.587 -22.406 1.00 0.00 C ATOM 1372 CG ASP A 91 30.497 13.850 -23.817 1.00 0.00 C ATOM 1373 OD1 ASP A 91 30.201 13.057 -24.696 1.00 0.00 O ATOM 1374 OD2 ASP A 91 31.186 14.841 -23.997 1.00 0.00 O ATOM 0 H ASP A 91 28.750 11.344 -21.974 1.00 0.00 H new ATOM 0 HA ASP A 91 31.575 12.152 -22.362 1.00 0.00 H new ATOM 0 HB2 ASP A 91 28.889 13.461 -22.427 1.00 0.00 H new ATOM 0 HB3 ASP A 91 30.181 14.443 -21.764 1.00 0.00 H new ATOM 1375 N ILE A 92 30.019 12.167 -19.459 1.00 0.00 N ATOM 1376 CA ILE A 92 30.315 12.340 -18.007 1.00 0.00 C ATOM 1377 C ILE A 92 31.592 11.549 -17.640 1.00 0.00 C ATOM 1378 O ILE A 92 32.287 11.911 -16.694 1.00 0.00 O ATOM 1379 CB ILE A 92 29.127 11.868 -17.154 1.00 0.00 C ATOM 1380 CG1 ILE A 92 28.792 10.405 -17.474 1.00 0.00 C ATOM 1381 CG2 ILE A 92 27.911 12.748 -17.454 1.00 0.00 C ATOM 1382 CD1 ILE A 92 29.290 9.503 -16.341 1.00 0.00 C ATOM 0 H ILE A 92 29.105 11.771 -19.680 1.00 0.00 H new ATOM 0 HA ILE A 92 30.480 13.398 -17.802 1.00 0.00 H new ATOM 0 HB ILE A 92 29.390 11.946 -16.099 1.00 0.00 H new ATOM 0 HG12 ILE A 92 27.716 10.287 -17.600 1.00 0.00 H new ATOM 0 HG13 ILE A 92 29.257 10.113 -18.416 1.00 0.00 H new ATOM 0 HG21 ILE A 92 27.065 12.417 -16.851 1.00 0.00 H new ATOM 0 HG22 ILE A 92 28.144 13.785 -17.214 1.00 0.00 H new ATOM 0 HG23 ILE A 92 27.656 12.669 -18.511 1.00 0.00 H new ATOM 0 HD11 ILE A 92 29.051 8.465 -16.571 1.00 0.00 H new ATOM 0 HD12 ILE A 92 30.369 9.612 -16.237 1.00 0.00 H new ATOM 0 HD13 ILE A 92 28.805 9.789 -15.408 1.00 0.00 H new ATOM 1383 N ILE A 93 31.953 10.505 -18.382 1.00 0.00 N ATOM 1384 CA ILE A 93 33.221 9.773 -18.048 1.00 0.00 C ATOM 1385 C ILE A 93 34.391 10.694 -18.418 1.00 0.00 C ATOM 1386 O ILE A 93 35.366 10.814 -17.683 1.00 0.00 O ATOM 1387 CB ILE A 93 33.386 8.451 -18.840 1.00 0.00 C ATOM 1388 CG1 ILE A 93 32.048 7.790 -19.242 1.00 0.00 C ATOM 1389 CG2 ILE A 93 34.181 7.467 -17.984 1.00 0.00 C ATOM 1390 CD1 ILE A 93 31.034 7.821 -18.098 1.00 0.00 C ATOM 0 H ILE A 93 31.433 10.144 -19.182 1.00 0.00 H new ATOM 0 HA ILE A 93 33.194 9.518 -16.989 1.00 0.00 H new ATOM 0 HB ILE A 93 33.902 8.701 -19.767 1.00 0.00 H new ATOM 0 HG12 ILE A 93 31.634 8.305 -20.109 1.00 0.00 H new ATOM 0 HG13 ILE A 93 32.228 6.757 -19.541 1.00 0.00 H new ATOM 0 HG21 ILE A 93 34.306 6.530 -18.527 1.00 0.00 H new ATOM 0 HG22 ILE A 93 35.160 7.889 -17.759 1.00 0.00 H new ATOM 0 HG23 ILE A 93 33.645 7.278 -17.054 1.00 0.00 H new ATOM 0 HD11 ILE A 93 30.107 7.347 -18.421 1.00 0.00 H new ATOM 0 HD12 ILE A 93 31.437 7.283 -17.240 1.00 0.00 H new ATOM 0 HD13 ILE A 93 30.834 8.855 -17.817 1.00 0.00 H new