USER MOD reduce.3.24.130724 H: found=0, std=0, add=736, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 0 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 65 THR OG1 : rot -15:sc= 1.22 USER MOD Set 1.2: A 85 TYR OH : rot -39:sc= -4.25! USER MOD Set 2.1: A 17 ASN : amide:sc= -0.439 K(o=-1.9,f=-6.2!) USER MOD Set 2.2: A 79 LYS NZ :NH3+ 161:sc= -1.51 (180deg=-2.1) USER MOD Set 3.1: A 28 SER OG : rot 145:sc= -0.493! USER MOD Set 3.2: A 77 TYR OH : rot -148:sc= -2.69! USER MOD Set 4.1: A 50 MET CE :methyl -115:sc= -0.542 (180deg=-0.921) USER MOD Set 4.2: A 53 GLN : amide:sc= -6.24! C(o=-6.8!,f=-7.4!) USER MOD Set 5.1: A 45 SER OG : rot 150:sc= -1.47! USER MOD Set 5.2: A 47 SER OG : rot -76:sc= 0.0979 USER MOD Set 6.1: A 12 TYR OH : rot -126:sc= 0.523 USER MOD Set 6.2: A 14 ASN : amide:sc= 0.617 K(o=1.1,f=-8.5!) USER MOD Set 7.1: A 10 THR OG1 : rot -143:sc= -0.431 USER MOD Set 7.2: A 90 SER OG : rot -140:sc= -0.374 USER MOD Single : A 8 ASN : amide:sc= -0.0175 X(o=-0.018,f=-0.29) USER MOD Single : A 9 HIS : no HE2:sc= -4! C(o=-4!,f=-9.7!) USER MOD Single : A 15 ASN : amide:sc= 0.00547 X(o=0.0055,f=0) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 LYS NZ :NH3+ 161:sc= -0.0123 (180deg=-0.182) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 HIS : no HD1:sc= -0.0823 X(o=-0.082,f=-0.0056) 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 49 LYS NZ :NH3+ 158:sc= -0.0269 (180deg=-0.21) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 63 SER OG : rot 180:sc= 0.021 USER MOD Single : A 66 ASN :FLIP amide:sc= -0.0994! F(o=-1.1,f=-0.099!) USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 71 MET CE :methyl -119:sc= -0.0784 (180deg=-1.25) USER MOD Single : A 72 GLN : amide:sc= 0.00114 X(o=0.0011,f=-0.011) USER MOD Single : A 81 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 84 GLN : amide:sc= -0.983 X(o=-0.98,f=-0.82!) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 682 N PRO A 7 30.825 -2.455 -28.272 1.00 0.00 N ATOM 683 CA PRO A 7 30.720 -2.329 -26.808 1.00 0.00 C ATOM 684 C PRO A 7 30.981 -0.876 -26.378 1.00 0.00 C ATOM 685 O PRO A 7 32.104 -0.385 -26.475 1.00 0.00 O ATOM 686 CB PRO A 7 31.817 -3.256 -26.281 1.00 0.00 C ATOM 687 CG PRO A 7 32.845 -3.413 -27.425 1.00 0.00 C ATOM 688 CD PRO A 7 32.117 -3.031 -28.727 1.00 0.00 C ATOM 0 HA PRO A 7 29.733 -2.590 -26.427 1.00 0.00 H new ATOM 0 HB2 PRO A 7 32.287 -2.835 -25.392 1.00 0.00 H new ATOM 0 HB3 PRO A 7 31.404 -4.223 -25.995 1.00 0.00 H new ATOM 0 HG2 PRO A 7 33.709 -2.769 -27.261 1.00 0.00 H new ATOM 0 HG3 PRO A 7 33.216 -4.437 -27.475 1.00 0.00 H new ATOM 0 HD2 PRO A 7 32.692 -2.309 -29.307 1.00 0.00 H new ATOM 0 HD3 PRO A 7 31.962 -3.901 -29.365 1.00 0.00 H new ATOM 689 N ASN A 8 29.973 -0.175 -25.907 1.00 0.00 N ATOM 690 CA ASN A 8 30.186 1.239 -25.481 1.00 0.00 C ATOM 691 C ASN A 8 29.756 1.403 -24.015 1.00 0.00 C ATOM 692 O ASN A 8 29.201 0.483 -23.416 1.00 0.00 O ATOM 693 CB ASN A 8 29.351 2.169 -26.363 1.00 0.00 C ATOM 694 CG ASN A 8 29.928 2.179 -27.785 1.00 0.00 C ATOM 695 OD1 ASN A 8 29.787 1.204 -28.520 1.00 0.00 O ATOM 696 ND2 ASN A 8 30.575 3.233 -28.221 1.00 0.00 N ATOM 0 H ASN A 8 29.020 -0.523 -25.802 1.00 0.00 H new ATOM 0 HA ASN A 8 31.241 1.493 -25.581 1.00 0.00 H new ATOM 0 HB2 ASN A 8 28.314 1.835 -26.382 1.00 0.00 H new ATOM 0 HB3 ASN A 8 29.354 3.178 -25.951 1.00 0.00 H new ATOM 0 HD21 ASN A 8 30.958 3.241 -29.166 1.00 0.00 H new ATOM 0 HD22 ASN A 8 30.695 4.045 -27.615 1.00 0.00 H new ATOM 697 N HIS A 9 29.994 2.554 -23.423 1.00 0.00 N ATOM 698 CA HIS A 9 29.586 2.754 -21.997 1.00 0.00 C ATOM 699 C HIS A 9 28.106 3.167 -21.951 1.00 0.00 C ATOM 700 O HIS A 9 27.348 2.695 -21.106 1.00 0.00 O ATOM 701 CB HIS A 9 30.450 3.853 -21.352 1.00 0.00 C ATOM 702 CG HIS A 9 31.259 3.274 -20.222 1.00 0.00 C ATOM 703 ND1 HIS A 9 32.611 3.002 -20.345 1.00 0.00 N ATOM 704 CD2 HIS A 9 30.917 2.911 -18.943 1.00 0.00 C ATOM 705 CE1 HIS A 9 33.032 2.499 -19.170 1.00 0.00 C ATOM 706 NE2 HIS A 9 32.038 2.423 -18.280 1.00 0.00 N ATOM 0 H HIS A 9 30.449 3.354 -23.863 1.00 0.00 H new ATOM 0 HA HIS A 9 29.727 1.825 -21.445 1.00 0.00 H new ATOM 0 HB2 HIS A 9 31.113 4.291 -22.098 1.00 0.00 H new ATOM 0 HB3 HIS A 9 29.814 4.656 -20.981 1.00 0.00 H new ATOM 0 HD1 HIS A 9 33.184 3.155 -21.175 1.00 0.00 H new ATOM 0 HD2 HIS A 9 29.928 2.992 -18.517 1.00 0.00 H new ATOM 0 HE1 HIS A 9 34.049 2.194 -18.971 1.00 0.00 H new ATOM 707 N THR A 10 27.677 4.036 -22.840 1.00 0.00 N ATOM 708 CA THR A 10 26.247 4.462 -22.834 1.00 0.00 C ATOM 709 C THR A 10 25.467 3.629 -23.856 1.00 0.00 C ATOM 710 O THR A 10 26.013 3.222 -24.879 1.00 0.00 O ATOM 711 CB THR A 10 26.148 5.942 -23.215 1.00 0.00 C ATOM 712 OG1 THR A 10 26.989 6.704 -22.365 1.00 0.00 O ATOM 713 CG2 THR A 10 24.700 6.414 -23.070 1.00 0.00 C ATOM 0 H THR A 10 28.255 4.464 -23.563 1.00 0.00 H new ATOM 0 HA THR A 10 25.831 4.313 -21.838 1.00 0.00 H new ATOM 0 HB THR A 10 26.465 6.074 -24.250 1.00 0.00 H new ATOM 0 HG1 THR A 10 26.561 7.563 -22.166 1.00 0.00 H new ATOM 0 HG21 THR A 10 24.632 7.467 -23.342 1.00 0.00 H new ATOM 0 HG22 THR A 10 24.059 5.827 -23.728 1.00 0.00 H new ATOM 0 HG23 THR A 10 24.377 6.284 -22.037 1.00 0.00 H new ATOM 714 N ILE A 11 24.199 3.371 -23.616 1.00 0.00 N ATOM 715 CA ILE A 11 23.410 2.577 -24.596 1.00 0.00 C ATOM 716 C ILE A 11 22.286 3.452 -25.167 1.00 0.00 C ATOM 717 O ILE A 11 21.734 4.309 -24.474 1.00 0.00 O ATOM 718 CB ILE A 11 22.811 1.341 -23.922 1.00 0.00 C ATOM 719 CG1 ILE A 11 21.948 1.766 -22.731 1.00 0.00 C ATOM 720 CG2 ILE A 11 23.937 0.428 -23.435 1.00 0.00 C ATOM 721 CD1 ILE A 11 20.747 0.827 -22.609 1.00 0.00 C ATOM 0 H ILE A 11 23.687 3.677 -22.789 1.00 0.00 H new ATOM 0 HA ILE A 11 24.067 2.249 -25.401 1.00 0.00 H new ATOM 0 HB ILE A 11 22.192 0.805 -24.642 1.00 0.00 H new ATOM 0 HG12 ILE A 11 22.537 1.741 -21.814 1.00 0.00 H new ATOM 0 HG13 ILE A 11 21.608 2.793 -22.863 1.00 0.00 H new ATOM 0 HG21 ILE A 11 23.510 -0.452 -22.955 1.00 0.00 H new ATOM 0 HG22 ILE A 11 24.547 0.118 -24.284 1.00 0.00 H new ATOM 0 HG23 ILE A 11 24.558 0.966 -22.719 1.00 0.00 H new ATOM 0 HD11 ILE A 11 20.133 1.130 -21.761 1.00 0.00 H new ATOM 0 HD12 ILE A 11 20.154 0.875 -23.522 1.00 0.00 H new ATOM 0 HD13 ILE A 11 21.097 -0.194 -22.457 1.00 0.00 H new ATOM 722 N TYR A 12 21.944 3.261 -26.421 1.00 0.00 N ATOM 723 CA TYR A 12 20.871 4.082 -27.043 1.00 0.00 C ATOM 724 C TYR A 12 19.661 3.182 -27.359 1.00 0.00 C ATOM 725 O TYR A 12 19.765 2.236 -28.140 1.00 0.00 O ATOM 726 CB TYR A 12 21.427 4.710 -28.335 1.00 0.00 C ATOM 727 CG TYR A 12 20.320 5.350 -29.145 1.00 0.00 C ATOM 728 CD1 TYR A 12 19.824 6.609 -28.790 1.00 0.00 C ATOM 729 CD2 TYR A 12 19.796 4.679 -30.255 1.00 0.00 C ATOM 730 CE1 TYR A 12 18.804 7.198 -29.546 1.00 0.00 C ATOM 731 CE2 TYR A 12 18.776 5.266 -31.011 1.00 0.00 C ATOM 732 CZ TYR A 12 18.279 6.527 -30.657 1.00 0.00 C ATOM 733 OH TYR A 12 17.272 7.106 -31.402 1.00 0.00 O ATOM 0 H TYR A 12 22.368 2.567 -27.037 1.00 0.00 H new ATOM 0 HA TYR A 12 20.549 4.872 -26.365 1.00 0.00 H new ATOM 0 HB2 TYR A 12 22.180 5.458 -28.086 1.00 0.00 H new ATOM 0 HB3 TYR A 12 21.924 3.945 -28.932 1.00 0.00 H new ATOM 0 HD1 TYR A 12 20.228 7.126 -27.933 1.00 0.00 H new ATOM 0 HD2 TYR A 12 20.179 3.707 -30.528 1.00 0.00 H new ATOM 0 HE1 TYR A 12 18.422 8.170 -29.272 1.00 0.00 H new ATOM 0 HE2 TYR A 12 18.372 4.747 -31.868 1.00 0.00 H new ATOM 0 HH TYR A 12 16.517 6.485 -31.469 1.00 0.00 H new ATOM 734 N ILE A 13 18.513 3.459 -26.777 1.00 0.00 N ATOM 735 CA ILE A 13 17.312 2.620 -27.062 1.00 0.00 C ATOM 736 C ILE A 13 16.444 3.328 -28.111 1.00 0.00 C ATOM 737 O ILE A 13 16.395 4.556 -28.158 1.00 0.00 O ATOM 738 CB ILE A 13 16.504 2.428 -25.777 1.00 0.00 C ATOM 739 CG1 ILE A 13 17.407 1.836 -24.684 1.00 0.00 C ATOM 740 CG2 ILE A 13 15.336 1.477 -26.047 1.00 0.00 C ATOM 741 CD1 ILE A 13 17.097 2.505 -23.344 1.00 0.00 C ATOM 0 H ILE A 13 18.362 4.226 -26.122 1.00 0.00 H new ATOM 0 HA ILE A 13 17.625 1.646 -27.439 1.00 0.00 H new ATOM 0 HB ILE A 13 16.119 3.392 -25.444 1.00 0.00 H new ATOM 0 HG12 ILE A 13 17.248 0.760 -24.610 1.00 0.00 H new ATOM 0 HG13 ILE A 13 18.455 1.986 -24.943 1.00 0.00 H new ATOM 0 HG21 ILE A 13 14.760 1.340 -25.132 1.00 0.00 H new ATOM 0 HG22 ILE A 13 14.694 1.899 -26.820 1.00 0.00 H new ATOM 0 HG23 ILE A 13 15.721 0.514 -26.381 1.00 0.00 H new ATOM 0 HD11 ILE A 13 17.739 2.084 -22.570 1.00 0.00 H new ATOM 0 HD12 ILE A 13 17.278 3.577 -23.422 1.00 0.00 H new ATOM 0 HD13 ILE A 13 16.053 2.332 -23.084 1.00 0.00 H new ATOM 742 N ASN A 14 15.761 2.589 -28.960 1.00 0.00 N ATOM 743 CA ASN A 14 14.911 3.244 -29.996 1.00 0.00 C ATOM 744 C ASN A 14 13.588 2.477 -30.139 1.00 0.00 C ATOM 745 O ASN A 14 13.361 1.482 -29.453 1.00 0.00 O ATOM 746 CB ASN A 14 15.652 3.240 -31.334 1.00 0.00 C ATOM 747 CG ASN A 14 15.354 4.538 -32.093 1.00 0.00 C ATOM 748 OD1 ASN A 14 15.377 5.619 -31.508 1.00 0.00 O ATOM 749 ND2 ASN A 14 15.070 4.497 -33.372 1.00 0.00 N ATOM 0 H ASN A 14 15.759 1.569 -28.976 1.00 0.00 H new ATOM 0 HA ASN A 14 14.700 4.271 -29.698 1.00 0.00 H new ATOM 0 HB2 ASN A 14 16.725 3.143 -31.166 1.00 0.00 H new ATOM 0 HB3 ASN A 14 15.344 2.380 -31.929 1.00 0.00 H new ATOM 0 HD21 ASN A 14 14.869 5.360 -33.878 1.00 0.00 H new ATOM 0 HD22 ASN A 14 15.050 3.602 -33.862 1.00 0.00 H new ATOM 750 N ASN A 15 12.708 2.915 -31.015 1.00 0.00 N ATOM 751 CA ASN A 15 11.409 2.200 -31.185 1.00 0.00 C ATOM 752 C ASN A 15 10.655 2.189 -29.847 1.00 0.00 C ATOM 753 O ASN A 15 10.061 1.181 -29.469 1.00 0.00 O ATOM 754 CB ASN A 15 11.672 0.761 -31.640 1.00 0.00 C ATOM 755 CG ASN A 15 10.718 0.400 -32.787 1.00 0.00 C ATOM 756 OD1 ASN A 15 10.882 0.881 -33.905 1.00 0.00 O ATOM 757 ND2 ASN A 15 9.724 -0.427 -32.573 1.00 0.00 N ATOM 0 H ASN A 15 12.837 3.731 -31.613 1.00 0.00 H new ATOM 0 HA ASN A 15 10.807 2.711 -31.937 1.00 0.00 H new ATOM 0 HB2 ASN A 15 12.706 0.656 -31.967 1.00 0.00 H new ATOM 0 HB3 ASN A 15 11.530 0.074 -30.806 1.00 0.00 H new ATOM 0 HD21 ASN A 15 9.089 -0.669 -33.334 1.00 0.00 H new ATOM 0 HD22 ASN A 15 9.585 -0.828 -31.646 1.00 0.00 H new ATOM 758 N LEU A 16 10.661 3.287 -29.120 1.00 0.00 N ATOM 759 CA LEU A 16 9.940 3.317 -27.813 1.00 0.00 C ATOM 760 C LEU A 16 8.536 3.907 -28.016 1.00 0.00 C ATOM 761 O LEU A 16 8.167 4.282 -29.128 1.00 0.00 O ATOM 762 CB LEU A 16 10.717 4.181 -26.814 1.00 0.00 C ATOM 763 CG LEU A 16 11.781 3.329 -26.120 1.00 0.00 C ATOM 764 CD1 LEU A 16 13.006 4.192 -25.812 1.00 0.00 C ATOM 765 CD2 LEU A 16 11.212 2.768 -24.815 1.00 0.00 C ATOM 0 H LEU A 16 11.132 4.154 -29.378 1.00 0.00 H new ATOM 0 HA LEU A 16 9.857 2.302 -27.424 1.00 0.00 H new ATOM 0 HB2 LEU A 16 11.187 5.019 -27.330 1.00 0.00 H new ATOM 0 HB3 LEU A 16 10.036 4.603 -26.075 1.00 0.00 H new ATOM 0 HG LEU A 16 12.072 2.507 -26.774 1.00 0.00 H new ATOM 0 HD11 LEU A 16 13.764 3.585 -25.317 1.00 0.00 H new ATOM 0 HD12 LEU A 16 13.412 4.593 -26.741 1.00 0.00 H new ATOM 0 HD13 LEU A 16 12.717 5.014 -25.158 1.00 0.00 H new ATOM 0 HD21 LEU A 16 11.969 2.161 -24.319 1.00 0.00 H new ATOM 0 HD22 LEU A 16 10.922 3.591 -24.161 1.00 0.00 H new ATOM 0 HD23 LEU A 16 10.339 2.153 -25.033 1.00 0.00 H new ATOM 766 N ASN A 17 7.744 4.006 -26.969 1.00 0.00 N ATOM 767 CA ASN A 17 6.371 4.582 -27.129 1.00 0.00 C ATOM 768 C ASN A 17 6.486 6.091 -27.361 1.00 0.00 C ATOM 769 O ASN A 17 7.435 6.728 -26.904 1.00 0.00 O ATOM 770 CB ASN A 17 5.531 4.323 -25.870 1.00 0.00 C ATOM 771 CG ASN A 17 4.064 4.099 -26.263 1.00 0.00 C ATOM 772 OD1 ASN A 17 3.692 4.285 -27.421 1.00 0.00 O ATOM 773 ND2 ASN A 17 3.198 3.707 -25.360 1.00 0.00 N ATOM 0 H ASN A 17 7.988 3.716 -26.022 1.00 0.00 H new ATOM 0 HA ASN A 17 5.883 4.107 -27.980 1.00 0.00 H new ATOM 0 HB2 ASN A 17 5.913 3.450 -25.340 1.00 0.00 H new ATOM 0 HB3 ASN A 17 5.610 5.170 -25.188 1.00 0.00 H new ATOM 0 HD21 ASN A 17 2.223 3.558 -25.619 1.00 0.00 H new ATOM 0 HD22 ASN A 17 3.499 3.551 -24.398 1.00 0.00 H new ATOM 774 N GLU A 18 5.546 6.682 -28.063 1.00 0.00 N ATOM 775 CA GLU A 18 5.623 8.150 -28.316 1.00 0.00 C ATOM 776 C GLU A 18 4.682 8.908 -27.363 1.00 0.00 C ATOM 777 O GLU A 18 4.105 9.929 -27.736 1.00 0.00 O ATOM 778 CB GLU A 18 5.214 8.431 -29.763 1.00 0.00 C ATOM 779 CG GLU A 18 6.433 8.284 -30.675 1.00 0.00 C ATOM 780 CD GLU A 18 5.971 8.083 -32.119 1.00 0.00 C ATOM 781 OE1 GLU A 18 5.225 7.146 -32.356 1.00 0.00 O ATOM 782 OE2 GLU A 18 6.368 8.869 -32.963 1.00 0.00 O ATOM 0 H GLU A 18 4.736 6.212 -28.467 1.00 0.00 H new ATOM 0 HA GLU A 18 6.645 8.488 -28.144 1.00 0.00 H new ATOM 0 HB2 GLU A 18 4.430 7.739 -30.071 1.00 0.00 H new ATOM 0 HB3 GLU A 18 4.803 9.437 -29.847 1.00 0.00 H new ATOM 0 HG2 GLU A 18 7.062 9.171 -30.604 1.00 0.00 H new ATOM 0 HG3 GLU A 18 7.039 7.437 -30.355 1.00 0.00 H new ATOM 783 N LYS A 19 4.513 8.446 -26.139 1.00 0.00 N ATOM 784 CA LYS A 19 3.614 9.164 -25.193 1.00 0.00 C ATOM 785 C LYS A 19 4.127 9.010 -23.747 1.00 0.00 C ATOM 786 O LYS A 19 3.336 8.949 -22.808 1.00 0.00 O ATOM 787 CB LYS A 19 2.206 8.578 -25.301 1.00 0.00 C ATOM 788 CG LYS A 19 2.246 7.077 -25.002 1.00 0.00 C ATOM 789 CD LYS A 19 0.972 6.669 -24.256 1.00 0.00 C ATOM 790 CE LYS A 19 -0.237 6.842 -25.176 1.00 0.00 C ATOM 791 NZ LYS A 19 -1.489 6.698 -24.383 1.00 0.00 N ATOM 0 H LYS A 19 4.959 7.608 -25.765 1.00 0.00 H new ATOM 0 HA LYS A 19 3.597 10.224 -25.448 1.00 0.00 H new ATOM 0 HB2 LYS A 19 1.538 9.080 -24.601 1.00 0.00 H new ATOM 0 HB3 LYS A 19 1.807 8.749 -26.301 1.00 0.00 H new ATOM 0 HG2 LYS A 19 2.332 6.513 -25.931 1.00 0.00 H new ATOM 0 HG3 LYS A 19 3.124 6.839 -24.401 1.00 0.00 H new ATOM 0 HD2 LYS A 19 1.047 5.632 -23.928 1.00 0.00 H new ATOM 0 HD3 LYS A 19 0.851 7.279 -23.361 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -0.207 7.821 -25.653 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -0.211 6.098 -25.972 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -2.312 6.816 -25.008 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -1.517 5.754 -23.947 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -1.514 7.424 -23.638 1.00 0.00 H new ATOM 792 N ILE A 20 5.428 8.940 -23.541 1.00 0.00 N ATOM 793 CA ILE A 20 5.954 8.788 -22.155 1.00 0.00 C ATOM 794 C ILE A 20 6.408 10.145 -21.619 1.00 0.00 C ATOM 795 O ILE A 20 6.781 11.034 -22.384 1.00 0.00 O ATOM 796 CB ILE A 20 7.159 7.830 -22.140 1.00 0.00 C ATOM 797 CG1 ILE A 20 6.905 6.618 -23.056 1.00 0.00 C ATOM 798 CG2 ILE A 20 7.402 7.345 -20.706 1.00 0.00 C ATOM 799 CD1 ILE A 20 5.617 5.908 -22.638 1.00 0.00 C ATOM 0 H ILE A 20 6.137 8.982 -24.273 1.00 0.00 H new ATOM 0 HA ILE A 20 5.157 8.385 -21.530 1.00 0.00 H new ATOM 0 HB ILE A 20 8.035 8.364 -22.507 1.00 0.00 H new ATOM 0 HG12 ILE A 20 6.830 6.945 -24.093 1.00 0.00 H new ATOM 0 HG13 ILE A 20 7.746 5.927 -23.000 1.00 0.00 H new ATOM 0 HG21 ILE A 20 8.255 6.666 -20.691 1.00 0.00 H new ATOM 0 HG22 ILE A 20 7.608 8.200 -20.063 1.00 0.00 H new ATOM 0 HG23 ILE A 20 6.516 6.823 -20.343 1.00 0.00 H new ATOM 0 HD11 ILE A 20 5.445 5.052 -23.291 1.00 0.00 H new ATOM 0 HD12 ILE A 20 5.708 5.565 -21.607 1.00 0.00 H new ATOM 0 HD13 ILE A 20 4.778 6.599 -22.717 1.00 0.00 H new ATOM 800 N LYS A 21 6.405 10.321 -20.317 1.00 0.00 N ATOM 801 CA LYS A 21 6.860 11.620 -19.748 1.00 0.00 C ATOM 802 C LYS A 21 8.385 11.576 -19.597 1.00 0.00 C ATOM 803 O LYS A 21 9.020 10.588 -19.965 1.00 0.00 O ATOM 804 CB LYS A 21 6.213 11.854 -18.376 1.00 0.00 C ATOM 805 CG LYS A 21 5.016 12.796 -18.527 1.00 0.00 C ATOM 806 CD LYS A 21 4.563 13.271 -17.144 1.00 0.00 C ATOM 807 CE LYS A 21 3.075 13.619 -17.186 1.00 0.00 C ATOM 808 NZ LYS A 21 2.271 12.364 -17.191 1.00 0.00 N ATOM 0 H LYS A 21 6.109 9.624 -19.633 1.00 0.00 H new ATOM 0 HA LYS A 21 6.569 12.434 -20.412 1.00 0.00 H new ATOM 0 HB2 LYS A 21 5.890 10.905 -17.948 1.00 0.00 H new ATOM 0 HB3 LYS A 21 6.941 12.282 -17.687 1.00 0.00 H new ATOM 0 HG2 LYS A 21 5.288 13.651 -19.146 1.00 0.00 H new ATOM 0 HG3 LYS A 21 4.198 12.284 -19.033 1.00 0.00 H new ATOM 0 HD2 LYS A 21 4.744 12.492 -16.403 1.00 0.00 H new ATOM 0 HD3 LYS A 21 5.143 14.142 -16.839 1.00 0.00 H new ATOM 0 HE2 LYS A 21 2.809 14.230 -16.324 1.00 0.00 H new ATOM 0 HE3 LYS A 21 2.854 14.209 -18.075 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 1.295 12.576 -16.899 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 2.266 11.959 -18.149 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 2.690 11.681 -16.529 1.00 0.00 H new ATOM 809 N LYS A 22 8.996 12.611 -19.064 1.00 0.00 N ATOM 810 CA LYS A 22 10.482 12.583 -18.901 1.00 0.00 C ATOM 811 C LYS A 22 10.828 11.912 -17.570 1.00 0.00 C ATOM 812 O LYS A 22 11.764 11.117 -17.493 1.00 0.00 O ATOM 813 CB LYS A 22 11.046 14.006 -18.923 1.00 0.00 C ATOM 814 CG LYS A 22 10.653 14.692 -20.233 1.00 0.00 C ATOM 815 CD LYS A 22 11.064 16.165 -20.181 1.00 0.00 C ATOM 816 CE LYS A 22 12.590 16.269 -20.144 1.00 0.00 C ATOM 817 NZ LYS A 22 12.998 17.683 -20.381 1.00 0.00 N ATOM 0 H LYS A 22 8.535 13.461 -18.740 1.00 0.00 H new ATOM 0 HA LYS A 22 10.922 12.021 -19.724 1.00 0.00 H new ATOM 0 HB2 LYS A 22 10.663 14.573 -18.074 1.00 0.00 H new ATOM 0 HB3 LYS A 22 12.131 13.980 -18.826 1.00 0.00 H new ATOM 0 HG2 LYS A 22 11.138 14.198 -21.075 1.00 0.00 H new ATOM 0 HG3 LYS A 22 9.578 14.609 -20.391 1.00 0.00 H new ATOM 0 HD2 LYS A 22 10.674 16.693 -21.051 1.00 0.00 H new ATOM 0 HD3 LYS A 22 10.635 16.642 -19.300 1.00 0.00 H new ATOM 0 HE2 LYS A 22 12.965 15.928 -19.179 1.00 0.00 H new ATOM 0 HE3 LYS A 22 13.028 15.621 -20.903 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 14.035 17.754 -20.356 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 12.652 17.993 -21.312 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 12.592 18.290 -19.641 1.00 0.00 H new ATOM 818 N ASP A 23 10.082 12.185 -16.525 1.00 0.00 N ATOM 819 CA ASP A 23 10.366 11.519 -15.222 1.00 0.00 C ATOM 820 C ASP A 23 9.850 10.073 -15.292 1.00 0.00 C ATOM 821 O ASP A 23 10.393 9.181 -14.642 1.00 0.00 O ATOM 822 CB ASP A 23 9.663 12.259 -14.076 1.00 0.00 C ATOM 823 CG ASP A 23 10.644 13.231 -13.418 1.00 0.00 C ATOM 824 OD1 ASP A 23 10.899 14.270 -14.003 1.00 0.00 O ATOM 825 OD2 ASP A 23 11.122 12.920 -12.339 1.00 0.00 O ATOM 0 H ASP A 23 9.296 12.835 -16.521 1.00 0.00 H new ATOM 0 HA ASP A 23 11.439 11.532 -15.033 1.00 0.00 H new ATOM 0 HB2 ASP A 23 8.797 12.801 -14.456 1.00 0.00 H new ATOM 0 HB3 ASP A 23 9.294 11.545 -13.340 1.00 0.00 H new ATOM 826 N GLU A 24 8.811 9.811 -16.069 1.00 0.00 N ATOM 827 CA GLU A 24 8.288 8.417 -16.160 1.00 0.00 C ATOM 828 C GLU A 24 9.285 7.532 -16.916 1.00 0.00 C ATOM 829 O GLU A 24 9.588 6.425 -16.477 1.00 0.00 O ATOM 830 CB GLU A 24 6.936 8.395 -16.888 1.00 0.00 C ATOM 831 CG GLU A 24 6.026 7.344 -16.249 1.00 0.00 C ATOM 832 CD GLU A 24 4.563 7.760 -16.423 1.00 0.00 C ATOM 833 OE1 GLU A 24 4.107 8.589 -15.653 1.00 0.00 O ATOM 834 OE2 GLU A 24 3.925 7.244 -17.326 1.00 0.00 O ATOM 0 H GLU A 24 8.315 10.501 -16.634 1.00 0.00 H new ATOM 0 HA GLU A 24 8.153 8.034 -15.148 1.00 0.00 H new ATOM 0 HB2 GLU A 24 6.467 9.377 -16.835 1.00 0.00 H new ATOM 0 HB3 GLU A 24 7.084 8.169 -17.944 1.00 0.00 H new ATOM 0 HG2 GLU A 24 6.196 6.371 -16.711 1.00 0.00 H new ATOM 0 HG3 GLU A 24 6.262 7.239 -15.190 1.00 0.00 H new ATOM 835 N LEU A 25 9.804 7.979 -18.042 1.00 0.00 N ATOM 836 CA LEU A 25 10.773 7.113 -18.789 1.00 0.00 C ATOM 837 C LEU A 25 12.079 6.954 -17.990 1.00 0.00 C ATOM 838 O LEU A 25 12.733 5.916 -18.071 1.00 0.00 O ATOM 839 CB LEU A 25 11.085 7.713 -20.165 1.00 0.00 C ATOM 840 CG LEU A 25 11.322 6.583 -21.169 1.00 0.00 C ATOM 841 CD1 LEU A 25 9.996 5.888 -21.489 1.00 0.00 C ATOM 842 CD2 LEU A 25 11.914 7.163 -22.454 1.00 0.00 C ATOM 0 H LEU A 25 9.603 8.885 -18.466 1.00 0.00 H new ATOM 0 HA LEU A 25 10.314 6.134 -18.925 1.00 0.00 H new ATOM 0 HB2 LEU A 25 10.258 8.341 -20.496 1.00 0.00 H new ATOM 0 HB3 LEU A 25 11.966 8.352 -20.104 1.00 0.00 H new ATOM 0 HG LEU A 25 12.014 5.858 -20.740 1.00 0.00 H new ATOM 0 HD11 LEU A 25 10.170 5.084 -22.204 1.00 0.00 H new ATOM 0 HD12 LEU A 25 9.572 5.474 -20.574 1.00 0.00 H new ATOM 0 HD13 LEU A 25 9.301 6.610 -21.917 1.00 0.00 H new ATOM 0 HD21 LEU A 25 12.084 6.360 -23.171 1.00 0.00 H new ATOM 0 HD22 LEU A 25 11.220 7.888 -22.879 1.00 0.00 H new ATOM 0 HD23 LEU A 25 12.860 7.655 -22.229 1.00 0.00 H new ATOM 843 N LYS A 26 12.480 7.944 -17.220 1.00 0.00 N ATOM 844 CA LYS A 26 13.749 7.803 -16.432 1.00 0.00 C ATOM 845 C LYS A 26 13.543 6.849 -15.238 1.00 0.00 C ATOM 846 O LYS A 26 14.504 6.256 -14.753 1.00 0.00 O ATOM 847 CB LYS A 26 14.208 9.171 -15.913 1.00 0.00 C ATOM 848 CG LYS A 26 15.693 9.110 -15.553 1.00 0.00 C ATOM 849 CD LYS A 26 15.970 10.030 -14.361 1.00 0.00 C ATOM 850 CE LYS A 26 16.330 11.427 -14.869 1.00 0.00 C ATOM 851 NZ LYS A 26 16.310 12.389 -13.731 1.00 0.00 N ATOM 0 H LYS A 26 11.990 8.831 -17.105 1.00 0.00 H new ATOM 0 HA LYS A 26 14.512 7.390 -17.092 1.00 0.00 H new ATOM 0 HB2 LYS A 26 14.038 9.935 -16.672 1.00 0.00 H new ATOM 0 HB3 LYS A 26 13.623 9.455 -15.038 1.00 0.00 H new ATOM 0 HG2 LYS A 26 15.977 8.086 -15.309 1.00 0.00 H new ATOM 0 HG3 LYS A 26 16.298 9.413 -16.408 1.00 0.00 H new ATOM 0 HD2 LYS A 26 15.093 10.081 -13.715 1.00 0.00 H new ATOM 0 HD3 LYS A 26 16.786 9.628 -13.760 1.00 0.00 H new ATOM 0 HE2 LYS A 26 17.317 11.414 -15.331 1.00 0.00 H new ATOM 0 HE3 LYS A 26 15.622 11.740 -15.637 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 16.555 13.339 -14.075 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 15.360 12.408 -13.309 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 17.002 12.092 -13.013 1.00 0.00 H new ATOM 852 N LYS A 27 12.331 6.678 -14.747 1.00 0.00 N ATOM 853 CA LYS A 27 12.127 5.747 -13.591 1.00 0.00 C ATOM 854 C LYS A 27 12.120 4.292 -14.099 1.00 0.00 C ATOM 855 O LYS A 27 12.623 3.392 -13.428 1.00 0.00 O ATOM 856 CB LYS A 27 10.790 6.051 -12.888 1.00 0.00 C ATOM 857 CG LYS A 27 11.055 6.630 -11.496 1.00 0.00 C ATOM 858 CD LYS A 27 11.226 5.488 -10.492 1.00 0.00 C ATOM 859 CE LYS A 27 10.716 5.933 -9.119 1.00 0.00 C ATOM 860 NZ LYS A 27 11.372 5.117 -8.058 1.00 0.00 N ATOM 0 H LYS A 27 11.489 7.137 -15.093 1.00 0.00 H new ATOM 0 HA LYS A 27 12.940 5.886 -12.879 1.00 0.00 H new ATOM 0 HB2 LYS A 27 10.209 6.758 -13.481 1.00 0.00 H new ATOM 0 HB3 LYS A 27 10.197 5.140 -12.806 1.00 0.00 H new ATOM 0 HG2 LYS A 27 11.951 7.250 -11.513 1.00 0.00 H new ATOM 0 HG3 LYS A 27 10.228 7.273 -11.194 1.00 0.00 H new ATOM 0 HD2 LYS A 27 10.676 4.609 -10.828 1.00 0.00 H new ATOM 0 HD3 LYS A 27 12.276 5.202 -10.426 1.00 0.00 H new ATOM 0 HE2 LYS A 27 10.931 6.990 -8.965 1.00 0.00 H new ATOM 0 HE3 LYS A 27 9.634 5.816 -9.066 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 11.026 5.418 -7.125 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 11.146 4.112 -8.203 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 12.402 5.250 -8.105 1.00 0.00 H new ATOM 861 N SER A 28 11.561 4.035 -15.266 1.00 0.00 N ATOM 862 CA SER A 28 11.537 2.629 -15.785 1.00 0.00 C ATOM 863 C SER A 28 12.959 2.188 -16.174 1.00 0.00 C ATOM 864 O SER A 28 13.343 1.039 -15.947 1.00 0.00 O ATOM 865 CB SER A 28 10.624 2.533 -17.014 1.00 0.00 C ATOM 866 OG SER A 28 11.214 3.247 -18.095 1.00 0.00 O ATOM 0 H SER A 28 11.127 4.731 -15.872 1.00 0.00 H new ATOM 0 HA SER A 28 11.155 1.976 -15.000 1.00 0.00 H new ATOM 0 HB2 SER A 28 10.476 1.489 -17.290 1.00 0.00 H new ATOM 0 HB3 SER A 28 9.641 2.945 -16.784 1.00 0.00 H new ATOM 0 HG SER A 28 11.017 2.786 -18.937 1.00 0.00 H new ATOM 867 N LEU A 29 13.755 3.065 -16.752 1.00 0.00 N ATOM 868 CA LEU A 29 15.146 2.658 -17.142 1.00 0.00 C ATOM 869 C LEU A 29 16.024 2.509 -15.887 1.00 0.00 C ATOM 870 O LEU A 29 16.904 1.650 -15.836 1.00 0.00 O ATOM 871 CB LEU A 29 15.767 3.712 -18.069 1.00 0.00 C ATOM 872 CG LEU A 29 14.879 3.897 -19.300 1.00 0.00 C ATOM 873 CD1 LEU A 29 15.000 5.336 -19.807 1.00 0.00 C ATOM 874 CD2 LEU A 29 15.325 2.932 -20.401 1.00 0.00 C ATOM 0 H LEU A 29 13.505 4.030 -16.967 1.00 0.00 H new ATOM 0 HA LEU A 29 15.092 1.703 -17.665 1.00 0.00 H new ATOM 0 HB2 LEU A 29 15.875 4.659 -17.540 1.00 0.00 H new ATOM 0 HB3 LEU A 29 16.767 3.401 -18.372 1.00 0.00 H new ATOM 0 HG LEU A 29 13.843 3.691 -19.032 1.00 0.00 H new ATOM 0 HD11 LEU A 29 14.367 5.467 -20.684 1.00 0.00 H new ATOM 0 HD12 LEU A 29 14.683 6.025 -19.024 1.00 0.00 H new ATOM 0 HD13 LEU A 29 16.037 5.542 -20.074 1.00 0.00 H new ATOM 0 HD21 LEU A 29 14.692 3.064 -21.279 1.00 0.00 H new ATOM 0 HD22 LEU A 29 16.362 3.138 -20.667 1.00 0.00 H new ATOM 0 HD23 LEU A 29 15.239 1.906 -20.042 1.00 0.00 H new ATOM 875 N HIS A 30 15.813 3.320 -14.873 1.00 0.00 N ATOM 876 CA HIS A 30 16.653 3.204 -13.635 1.00 0.00 C ATOM 877 C HIS A 30 16.358 1.889 -12.882 1.00 0.00 C ATOM 878 O HIS A 30 17.157 1.467 -12.049 1.00 0.00 O ATOM 879 CB HIS A 30 16.378 4.387 -12.697 1.00 0.00 C ATOM 880 CG HIS A 30 17.551 4.581 -11.777 1.00 0.00 C ATOM 881 ND1 HIS A 30 17.490 4.274 -10.426 1.00 0.00 N ATOM 882 CD2 HIS A 30 18.823 5.049 -11.997 1.00 0.00 C ATOM 883 CE1 HIS A 30 18.690 4.559 -9.890 1.00 0.00 C ATOM 884 NE2 HIS A 30 19.540 5.035 -10.805 1.00 0.00 N ATOM 0 H HIS A 30 15.102 4.051 -14.849 1.00 0.00 H new ATOM 0 HA HIS A 30 17.699 3.208 -13.943 1.00 0.00 H new ATOM 0 HB2 HIS A 30 16.204 5.293 -13.278 1.00 0.00 H new ATOM 0 HB3 HIS A 30 15.474 4.202 -12.117 1.00 0.00 H new ATOM 0 HD2 HIS A 30 19.208 5.378 -12.951 1.00 0.00 H new ATOM 0 HE1 HIS A 30 18.937 4.420 -8.848 1.00 0.00 H new ATOM 0 HE2 HIS A 30 20.507 5.326 -10.660 1.00 0.00 H new ATOM 885 N ALA A 31 15.240 1.232 -13.129 1.00 0.00 N ATOM 886 CA ALA A 31 14.951 -0.037 -12.390 1.00 0.00 C ATOM 887 C ALA A 31 15.460 -1.245 -13.193 1.00 0.00 C ATOM 888 O ALA A 31 16.175 -2.093 -12.660 1.00 0.00 O ATOM 889 CB ALA A 31 13.442 -0.175 -12.166 1.00 0.00 C ATOM 0 H ALA A 31 14.528 1.519 -13.801 1.00 0.00 H new ATOM 0 HA ALA A 31 15.461 -0.006 -11.427 1.00 0.00 H new ATOM 0 HB1 ALA A 31 13.237 -1.100 -11.628 1.00 0.00 H new ATOM 0 HB2 ALA A 31 13.082 0.672 -11.582 1.00 0.00 H new ATOM 0 HB3 ALA A 31 12.932 -0.195 -13.129 1.00 0.00 H new ATOM 890 N ILE A 32 15.095 -1.361 -14.453 1.00 0.00 N ATOM 891 CA ILE A 32 15.555 -2.531 -15.251 1.00 0.00 C ATOM 892 C ILE A 32 17.085 -2.504 -15.426 1.00 0.00 C ATOM 893 O ILE A 32 17.770 -3.474 -15.105 1.00 0.00 O ATOM 894 CB ILE A 32 14.885 -2.595 -16.647 1.00 0.00 C ATOM 895 CG1 ILE A 32 14.417 -1.230 -17.189 1.00 0.00 C ATOM 896 CG2 ILE A 32 13.684 -3.535 -16.595 1.00 0.00 C ATOM 897 CD1 ILE A 32 14.358 -1.288 -18.717 1.00 0.00 C ATOM 0 H ILE A 32 14.503 -0.698 -14.953 1.00 0.00 H new ATOM 0 HA ILE A 32 15.261 -3.420 -14.693 1.00 0.00 H new ATOM 0 HB ILE A 32 15.654 -2.958 -17.328 1.00 0.00 H new ATOM 0 HG12 ILE A 32 13.436 -0.982 -16.785 1.00 0.00 H new ATOM 0 HG13 ILE A 32 15.102 -0.444 -16.869 1.00 0.00 H new ATOM 0 HG21 ILE A 32 13.214 -3.579 -17.577 1.00 0.00 H new ATOM 0 HG22 ILE A 32 14.015 -4.533 -16.306 1.00 0.00 H new ATOM 0 HG23 ILE A 32 12.964 -3.166 -15.864 1.00 0.00 H new ATOM 0 HD11 ILE A 32 14.027 -0.325 -19.105 1.00 0.00 H new ATOM 0 HD12 ILE A 32 15.348 -1.518 -19.111 1.00 0.00 H new ATOM 0 HD13 ILE A 32 13.656 -2.063 -19.025 1.00 0.00 H new ATOM 898 N PHE A 33 17.635 -1.434 -15.944 1.00 0.00 N ATOM 899 CA PHE A 33 19.122 -1.380 -16.154 1.00 0.00 C ATOM 900 C PHE A 33 19.864 -1.444 -14.808 1.00 0.00 C ATOM 901 O PHE A 33 20.930 -2.052 -14.715 1.00 0.00 O ATOM 902 CB PHE A 33 19.507 -0.086 -16.885 1.00 0.00 C ATOM 903 CG PHE A 33 19.102 -0.194 -18.335 1.00 0.00 C ATOM 904 CD1 PHE A 33 19.889 -0.931 -19.227 1.00 0.00 C ATOM 905 CD2 PHE A 33 17.938 0.440 -18.787 1.00 0.00 C ATOM 906 CE1 PHE A 33 19.513 -1.034 -20.573 1.00 0.00 C ATOM 907 CE2 PHE A 33 17.563 0.338 -20.131 1.00 0.00 C ATOM 908 CZ PHE A 33 18.350 -0.400 -21.025 1.00 0.00 C ATOM 0 H PHE A 33 17.125 -0.598 -16.230 1.00 0.00 H new ATOM 0 HA PHE A 33 19.410 -2.240 -16.759 1.00 0.00 H new ATOM 0 HB2 PHE A 33 19.015 0.768 -16.420 1.00 0.00 H new ATOM 0 HB3 PHE A 33 20.581 0.084 -16.807 1.00 0.00 H new ATOM 0 HD1 PHE A 33 20.786 -1.420 -18.878 1.00 0.00 H new ATOM 0 HD2 PHE A 33 17.330 1.008 -18.098 1.00 0.00 H new ATOM 0 HE1 PHE A 33 20.121 -1.603 -21.261 1.00 0.00 H new ATOM 0 HE2 PHE A 33 16.666 0.828 -20.480 1.00 0.00 H new ATOM 0 HZ PHE A 33 18.059 -0.480 -22.062 1.00 0.00 H new ATOM 909 N SER A 34 19.343 -0.833 -13.766 1.00 0.00 N ATOM 910 CA SER A 34 20.060 -0.879 -12.446 1.00 0.00 C ATOM 911 C SER A 34 20.182 -2.332 -11.953 1.00 0.00 C ATOM 912 O SER A 34 21.162 -2.689 -11.303 1.00 0.00 O ATOM 913 CB SER A 34 19.300 -0.058 -11.397 1.00 0.00 C ATOM 914 OG SER A 34 19.903 -0.253 -10.124 1.00 0.00 O ATOM 0 H SER A 34 18.466 -0.312 -13.770 1.00 0.00 H new ATOM 0 HA SER A 34 21.055 -0.458 -12.586 1.00 0.00 H new ATOM 0 HB2 SER A 34 19.317 0.999 -11.663 1.00 0.00 H new ATOM 0 HB3 SER A 34 18.254 -0.362 -11.368 1.00 0.00 H new ATOM 0 HG SER A 34 19.422 0.271 -9.450 1.00 0.00 H new ATOM 915 N ARG A 35 19.213 -3.184 -12.232 1.00 0.00 N ATOM 916 CA ARG A 35 19.302 -4.609 -11.753 1.00 0.00 C ATOM 917 C ARG A 35 20.673 -5.209 -12.116 1.00 0.00 C ATOM 918 O ARG A 35 21.254 -5.962 -11.335 1.00 0.00 O ATOM 919 CB ARG A 35 18.199 -5.457 -12.399 1.00 0.00 C ATOM 920 CG ARG A 35 16.947 -5.426 -11.517 1.00 0.00 C ATOM 921 CD ARG A 35 15.697 -5.404 -12.400 1.00 0.00 C ATOM 922 NE ARG A 35 14.510 -5.057 -11.570 1.00 0.00 N ATOM 923 CZ ARG A 35 14.015 -5.934 -10.740 1.00 0.00 C ATOM 924 NH1 ARG A 35 13.766 -7.148 -11.147 1.00 0.00 N ATOM 925 NH2 ARG A 35 13.767 -5.596 -9.505 1.00 0.00 N ATOM 0 H ARG A 35 18.374 -2.957 -12.765 1.00 0.00 H new ATOM 0 HA ARG A 35 19.177 -4.613 -10.670 1.00 0.00 H new ATOM 0 HB2 ARG A 35 17.966 -5.074 -13.393 1.00 0.00 H new ATOM 0 HB3 ARG A 35 18.542 -6.484 -12.525 1.00 0.00 H new ATOM 0 HG2 ARG A 35 16.928 -6.299 -10.864 1.00 0.00 H new ATOM 0 HG3 ARG A 35 16.965 -4.547 -10.873 1.00 0.00 H new ATOM 0 HD2 ARG A 35 15.818 -4.677 -13.203 1.00 0.00 H new ATOM 0 HD3 ARG A 35 15.554 -6.377 -12.870 1.00 0.00 H new ATOM 0 HE ARG A 35 14.084 -4.134 -11.650 1.00 0.00 H new ATOM 0 HH11 ARG A 35 13.958 -7.411 -12.113 1.00 0.00 H new ATOM 0 HH12 ARG A 35 13.379 -7.834 -10.499 1.00 0.00 H new ATOM 0 HH21 ARG A 35 13.960 -4.646 -9.188 1.00 0.00 H new ATOM 0 HH22 ARG A 35 13.380 -6.282 -8.856 1.00 0.00 H new ATOM 926 N PHE A 36 21.208 -4.895 -13.278 1.00 0.00 N ATOM 927 CA PHE A 36 22.542 -5.462 -13.656 1.00 0.00 C ATOM 928 C PHE A 36 23.645 -4.740 -12.867 1.00 0.00 C ATOM 929 O PHE A 36 24.477 -5.378 -12.224 1.00 0.00 O ATOM 930 CB PHE A 36 22.791 -5.279 -15.159 1.00 0.00 C ATOM 931 CG PHE A 36 21.900 -6.219 -15.935 1.00 0.00 C ATOM 932 CD1 PHE A 36 22.330 -7.522 -16.214 1.00 0.00 C ATOM 933 CD2 PHE A 36 20.644 -5.787 -16.375 1.00 0.00 C ATOM 934 CE1 PHE A 36 21.504 -8.393 -16.932 1.00 0.00 C ATOM 935 CE2 PHE A 36 19.817 -6.659 -17.095 1.00 0.00 C ATOM 936 CZ PHE A 36 20.247 -7.962 -17.373 1.00 0.00 C ATOM 0 H PHE A 36 20.783 -4.279 -13.971 1.00 0.00 H new ATOM 0 HA PHE A 36 22.553 -6.526 -13.421 1.00 0.00 H new ATOM 0 HB2 PHE A 36 22.590 -4.248 -15.449 1.00 0.00 H new ATOM 0 HB3 PHE A 36 23.837 -5.477 -15.392 1.00 0.00 H new ATOM 0 HD1 PHE A 36 23.300 -7.855 -15.875 1.00 0.00 H new ATOM 0 HD2 PHE A 36 20.312 -4.782 -16.160 1.00 0.00 H new ATOM 0 HE1 PHE A 36 21.836 -9.398 -17.146 1.00 0.00 H new ATOM 0 HE2 PHE A 36 18.848 -6.326 -17.436 1.00 0.00 H new ATOM 0 HZ PHE A 36 19.609 -8.635 -17.927 1.00 0.00 H new ATOM 937 N GLY A 37 23.676 -3.424 -12.898 1.00 0.00 N ATOM 938 CA GLY A 37 24.735 -2.688 -12.144 1.00 0.00 C ATOM 939 C GLY A 37 24.191 -1.328 -11.676 1.00 0.00 C ATOM 940 O GLY A 37 22.982 -1.102 -11.672 1.00 0.00 O ATOM 0 H GLY A 37 23.018 -2.837 -13.410 1.00 0.00 H new ATOM 0 HA2 GLY A 37 25.058 -3.276 -11.285 1.00 0.00 H new ATOM 0 HA3 GLY A 37 25.610 -2.542 -12.777 1.00 0.00 H new ATOM 941 N GLN A 38 25.053 -0.413 -11.285 1.00 0.00 N ATOM 942 CA GLN A 38 24.561 0.923 -10.828 1.00 0.00 C ATOM 943 C GLN A 38 24.466 1.869 -12.031 1.00 0.00 C ATOM 944 O GLN A 38 25.263 1.783 -12.963 1.00 0.00 O ATOM 945 CB GLN A 38 25.527 1.510 -9.792 1.00 0.00 C ATOM 946 CG GLN A 38 24.798 2.560 -8.952 1.00 0.00 C ATOM 947 CD GLN A 38 25.678 2.968 -7.764 1.00 0.00 C ATOM 948 OE1 GLN A 38 25.298 2.768 -6.612 1.00 0.00 O ATOM 949 NE2 GLN A 38 26.843 3.531 -7.976 1.00 0.00 N ATOM 0 H GLN A 38 26.065 -0.535 -11.264 1.00 0.00 H new ATOM 0 HA GLN A 38 23.577 0.806 -10.373 1.00 0.00 H new ATOM 0 HB2 GLN A 38 25.913 0.719 -9.149 1.00 0.00 H new ATOM 0 HB3 GLN A 38 26.384 1.960 -10.293 1.00 0.00 H new ATOM 0 HG2 GLN A 38 24.566 3.433 -9.563 1.00 0.00 H new ATOM 0 HG3 GLN A 38 23.849 2.160 -8.595 1.00 0.00 H new ATOM 0 HE21 GLN A 38 27.162 3.699 -8.930 1.00 0.00 H new ATOM 0 HE22 GLN A 38 27.430 3.801 -7.187 1.00 0.00 H new ATOM 950 N ILE A 39 23.507 2.770 -12.040 1.00 0.00 N ATOM 951 CA ILE A 39 23.377 3.706 -13.193 1.00 0.00 C ATOM 952 C ILE A 39 23.789 5.119 -12.757 1.00 0.00 C ATOM 953 O ILE A 39 23.158 5.717 -11.886 1.00 0.00 O ATOM 954 CB ILE A 39 21.927 3.723 -13.675 1.00 0.00 C ATOM 955 CG1 ILE A 39 21.486 2.296 -14.005 1.00 0.00 C ATOM 956 CG2 ILE A 39 21.813 4.594 -14.926 1.00 0.00 C ATOM 957 CD1 ILE A 39 19.977 2.272 -14.252 1.00 0.00 C ATOM 0 H ILE A 39 22.815 2.892 -11.300 1.00 0.00 H new ATOM 0 HA ILE A 39 24.025 3.374 -14.004 1.00 0.00 H new ATOM 0 HB ILE A 39 21.288 4.131 -12.892 1.00 0.00 H new ATOM 0 HG12 ILE A 39 22.015 1.935 -14.887 1.00 0.00 H new ATOM 0 HG13 ILE A 39 21.741 1.626 -13.184 1.00 0.00 H new ATOM 0 HG21 ILE A 39 20.778 4.605 -15.269 1.00 0.00 H new ATOM 0 HG22 ILE A 39 22.129 5.611 -14.692 1.00 0.00 H new ATOM 0 HG23 ILE A 39 22.451 4.188 -15.711 1.00 0.00 H new ATOM 0 HD11 ILE A 39 19.663 1.255 -14.487 1.00 0.00 H new ATOM 0 HD12 ILE A 39 19.456 2.615 -13.358 1.00 0.00 H new ATOM 0 HD13 ILE A 39 19.735 2.929 -15.087 1.00 0.00 H new ATOM 958 N LEU A 40 24.831 5.671 -13.340 1.00 0.00 N ATOM 959 CA LEU A 40 25.262 7.050 -12.939 1.00 0.00 C ATOM 960 C LEU A 40 24.129 8.046 -13.219 1.00 0.00 C ATOM 961 O LEU A 40 23.877 8.949 -12.424 1.00 0.00 O ATOM 962 CB LEU A 40 26.512 7.472 -13.725 1.00 0.00 C ATOM 963 CG LEU A 40 27.690 6.573 -13.341 1.00 0.00 C ATOM 964 CD1 LEU A 40 28.898 6.913 -14.218 1.00 0.00 C ATOM 965 CD2 LEU A 40 28.048 6.802 -11.871 1.00 0.00 C ATOM 0 H LEU A 40 25.395 5.231 -14.067 1.00 0.00 H new ATOM 0 HA LEU A 40 25.497 7.045 -11.875 1.00 0.00 H new ATOM 0 HB2 LEU A 40 26.321 7.401 -14.796 1.00 0.00 H new ATOM 0 HB3 LEU A 40 26.753 8.514 -13.513 1.00 0.00 H new ATOM 0 HG LEU A 40 27.414 5.529 -13.490 1.00 0.00 H new ATOM 0 HD11 LEU A 40 29.737 6.273 -13.945 1.00 0.00 H new ATOM 0 HD12 LEU A 40 28.644 6.751 -15.266 1.00 0.00 H new ATOM 0 HD13 LEU A 40 29.174 7.957 -14.068 1.00 0.00 H new ATOM 0 HD21 LEU A 40 28.887 6.162 -11.597 1.00 0.00 H new ATOM 0 HD22 LEU A 40 28.324 7.846 -11.722 1.00 0.00 H new ATOM 0 HD23 LEU A 40 27.188 6.561 -11.245 1.00 0.00 H new ATOM 966 N ASP A 41 23.437 7.909 -14.330 1.00 0.00 N ATOM 967 CA ASP A 41 22.323 8.867 -14.635 1.00 0.00 C ATOM 968 C ASP A 41 21.662 8.506 -15.977 1.00 0.00 C ATOM 969 O ASP A 41 22.328 8.042 -16.901 1.00 0.00 O ATOM 970 CB ASP A 41 22.886 10.292 -14.712 1.00 0.00 C ATOM 971 CG ASP A 41 22.525 11.058 -13.438 1.00 0.00 C ATOM 972 OD1 ASP A 41 21.354 11.081 -13.095 1.00 0.00 O ATOM 973 OD2 ASP A 41 23.425 11.608 -12.826 1.00 0.00 O ATOM 0 H ASP A 41 23.593 7.184 -15.030 1.00 0.00 H new ATOM 0 HA ASP A 41 21.575 8.806 -13.844 1.00 0.00 H new ATOM 0 HB2 ASP A 41 23.969 10.260 -14.834 1.00 0.00 H new ATOM 0 HB3 ASP A 41 22.482 10.806 -15.584 1.00 0.00 H new ATOM 974 N ILE A 42 20.369 8.711 -16.109 1.00 0.00 N ATOM 975 CA ILE A 42 19.690 8.376 -17.394 1.00 0.00 C ATOM 976 C ILE A 42 19.251 9.671 -18.094 1.00 0.00 C ATOM 977 O ILE A 42 18.557 10.499 -17.507 1.00 0.00 O ATOM 978 CB ILE A 42 18.461 7.508 -17.111 1.00 0.00 C ATOM 979 CG1 ILE A 42 18.885 6.264 -16.326 1.00 0.00 C ATOM 980 CG2 ILE A 42 17.821 7.081 -18.432 1.00 0.00 C ATOM 981 CD1 ILE A 42 17.690 5.730 -15.536 1.00 0.00 C ATOM 0 H ILE A 42 19.763 9.094 -15.384 1.00 0.00 H new ATOM 0 HA ILE A 42 20.380 7.830 -18.038 1.00 0.00 H new ATOM 0 HB ILE A 42 17.740 8.080 -16.527 1.00 0.00 H new ATOM 0 HG12 ILE A 42 19.255 5.499 -17.008 1.00 0.00 H new ATOM 0 HG13 ILE A 42 19.703 6.509 -15.648 1.00 0.00 H new ATOM 0 HG21 ILE A 42 16.946 6.463 -18.229 1.00 0.00 H new ATOM 0 HG22 ILE A 42 17.519 7.966 -18.992 1.00 0.00 H new ATOM 0 HG23 ILE A 42 18.541 6.509 -19.017 1.00 0.00 H new ATOM 0 HD11 ILE A 42 17.990 4.844 -14.976 1.00 0.00 H new ATOM 0 HD12 ILE A 42 17.340 6.496 -14.843 1.00 0.00 H new ATOM 0 HD13 ILE A 42 16.886 5.469 -16.224 1.00 0.00 H new ATOM 982 N LEU A 43 19.640 9.870 -19.336 1.00 0.00 N ATOM 983 CA LEU A 43 19.237 11.115 -20.052 1.00 0.00 C ATOM 984 C LEU A 43 18.024 10.824 -20.949 1.00 0.00 C ATOM 985 O LEU A 43 18.023 9.858 -21.711 1.00 0.00 O ATOM 986 CB LEU A 43 20.400 11.610 -20.917 1.00 0.00 C ATOM 987 CG LEU A 43 21.264 12.579 -20.110 1.00 0.00 C ATOM 988 CD1 LEU A 43 22.222 11.788 -19.217 1.00 0.00 C ATOM 989 CD2 LEU A 43 22.071 13.459 -21.067 1.00 0.00 C ATOM 0 H LEU A 43 20.216 9.225 -19.877 1.00 0.00 H new ATOM 0 HA LEU A 43 18.975 11.881 -19.322 1.00 0.00 H new ATOM 0 HB2 LEU A 43 21.001 10.765 -21.254 1.00 0.00 H new ATOM 0 HB3 LEU A 43 20.017 12.105 -21.810 1.00 0.00 H new ATOM 0 HG LEU A 43 20.623 13.206 -19.490 1.00 0.00 H new ATOM 0 HD11 LEU A 43 22.838 12.479 -18.642 1.00 0.00 H new ATOM 0 HD12 LEU A 43 21.649 11.159 -18.535 1.00 0.00 H new ATOM 0 HD13 LEU A 43 22.863 11.161 -19.837 1.00 0.00 H new ATOM 0 HD21 LEU A 43 22.688 14.151 -20.493 1.00 0.00 H new ATOM 0 HD22 LEU A 43 22.711 12.831 -21.687 1.00 0.00 H new ATOM 0 HD23 LEU A 43 21.390 14.023 -21.704 1.00 0.00 H new ATOM 990 N VAL A 44 16.992 11.637 -20.883 1.00 0.00 N ATOM 991 CA VAL A 44 15.795 11.394 -21.741 1.00 0.00 C ATOM 992 C VAL A 44 15.438 12.685 -22.493 1.00 0.00 C ATOM 993 O VAL A 44 15.367 13.761 -21.899 1.00 0.00 O ATOM 994 CB VAL A 44 14.606 10.960 -20.874 1.00 0.00 C ATOM 995 CG1 VAL A 44 14.846 9.543 -20.349 1.00 0.00 C ATOM 996 CG2 VAL A 44 14.444 11.921 -19.689 1.00 0.00 C ATOM 0 H VAL A 44 16.931 12.453 -20.274 1.00 0.00 H new ATOM 0 HA VAL A 44 16.021 10.603 -22.456 1.00 0.00 H new ATOM 0 HB VAL A 44 13.699 10.979 -21.478 1.00 0.00 H new ATOM 0 HG11 VAL A 44 14.001 9.235 -19.733 1.00 0.00 H new ATOM 0 HG12 VAL A 44 14.952 8.857 -21.189 1.00 0.00 H new ATOM 0 HG13 VAL A 44 15.757 9.526 -19.750 1.00 0.00 H new ATOM 0 HG21 VAL A 44 13.598 11.606 -19.078 1.00 0.00 H new ATOM 0 HG22 VAL A 44 15.351 11.910 -19.085 1.00 0.00 H new ATOM 0 HG23 VAL A 44 14.268 12.930 -20.061 1.00 0.00 H new ATOM 997 N SER A 45 15.217 12.612 -23.788 1.00 0.00 N ATOM 998 CA SER A 45 14.872 13.843 -24.556 1.00 0.00 C ATOM 999 C SER A 45 13.404 13.779 -25.000 1.00 0.00 C ATOM 1000 O SER A 45 12.878 12.703 -25.279 1.00 0.00 O ATOM 1001 CB SER A 45 15.774 13.945 -25.787 1.00 0.00 C ATOM 1002 OG SER A 45 15.354 15.044 -26.585 1.00 0.00 O ATOM 0 H SER A 45 15.262 11.755 -24.339 1.00 0.00 H new ATOM 0 HA SER A 45 15.020 14.718 -23.923 1.00 0.00 H new ATOM 0 HB2 SER A 45 16.812 14.077 -25.482 1.00 0.00 H new ATOM 0 HB3 SER A 45 15.727 13.022 -26.365 1.00 0.00 H new ATOM 0 HG SER A 45 16.126 15.417 -27.060 1.00 0.00 H new ATOM 1003 N ARG A 46 12.728 14.906 -25.075 1.00 0.00 N ATOM 1004 CA ARG A 46 11.299 14.887 -25.505 1.00 0.00 C ATOM 1005 C ARG A 46 11.117 15.769 -26.751 1.00 0.00 C ATOM 1006 O ARG A 46 10.107 16.458 -26.889 1.00 0.00 O ATOM 1007 CB ARG A 46 10.421 15.420 -24.371 1.00 0.00 C ATOM 1008 CG ARG A 46 8.961 15.040 -24.634 1.00 0.00 C ATOM 1009 CD ARG A 46 8.027 16.013 -23.906 1.00 0.00 C ATOM 1010 NE ARG A 46 7.015 16.540 -24.865 1.00 0.00 N ATOM 1011 CZ ARG A 46 5.743 16.432 -24.598 1.00 0.00 C ATOM 1012 NH1 ARG A 46 5.236 17.063 -23.574 1.00 0.00 N ATOM 1013 NH2 ARG A 46 4.978 15.692 -25.353 1.00 0.00 N ATOM 0 H ARG A 46 13.105 15.828 -24.858 1.00 0.00 H new ATOM 0 HA ARG A 46 11.009 13.864 -25.744 1.00 0.00 H new ATOM 0 HB2 ARG A 46 10.749 15.007 -23.417 1.00 0.00 H new ATOM 0 HB3 ARG A 46 10.519 16.503 -24.299 1.00 0.00 H new ATOM 0 HG2 ARG A 46 8.758 15.061 -25.705 1.00 0.00 H new ATOM 0 HG3 ARG A 46 8.775 14.021 -24.294 1.00 0.00 H new ATOM 0 HD2 ARG A 46 7.530 15.507 -23.078 1.00 0.00 H new ATOM 0 HD3 ARG A 46 8.602 16.835 -23.479 1.00 0.00 H new ATOM 0 HE ARG A 46 7.318 16.986 -25.731 1.00 0.00 H new ATOM 0 HH11 ARG A 46 5.835 17.640 -22.983 1.00 0.00 H new ATOM 0 HH12 ARG A 46 4.241 16.979 -23.365 1.00 0.00 H new ATOM 0 HH21 ARG A 46 5.375 15.198 -26.152 1.00 0.00 H new ATOM 0 HH22 ARG A 46 3.983 15.608 -25.144 1.00 0.00 H new ATOM 1014 N SER A 47 12.064 15.763 -27.668 1.00 0.00 N ATOM 1015 CA SER A 47 11.918 16.601 -28.893 1.00 0.00 C ATOM 1016 C SER A 47 11.618 15.694 -30.095 1.00 0.00 C ATOM 1017 O SER A 47 11.832 14.484 -30.035 1.00 0.00 O ATOM 1018 CB SER A 47 13.218 17.367 -29.143 1.00 0.00 C ATOM 1019 OG SER A 47 14.285 16.442 -29.301 1.00 0.00 O ATOM 0 H SER A 47 12.923 15.216 -27.615 1.00 0.00 H new ATOM 0 HA SER A 47 11.101 17.309 -28.757 1.00 0.00 H new ATOM 0 HB2 SER A 47 13.123 17.986 -30.035 1.00 0.00 H new ATOM 0 HB3 SER A 47 13.424 18.039 -28.309 1.00 0.00 H new ATOM 0 HG SER A 47 14.545 16.090 -28.424 1.00 0.00 H new ATOM 1020 N LEU A 48 11.128 16.243 -31.188 1.00 0.00 N ATOM 1021 CA LEU A 48 10.826 15.379 -32.378 1.00 0.00 C ATOM 1022 C LEU A 48 12.110 14.666 -32.826 1.00 0.00 C ATOM 1023 O LEU A 48 12.090 13.483 -33.162 1.00 0.00 O ATOM 1024 CB LEU A 48 10.293 16.232 -33.537 1.00 0.00 C ATOM 1025 CG LEU A 48 9.475 15.362 -34.495 1.00 0.00 C ATOM 1026 CD1 LEU A 48 8.265 16.158 -34.999 1.00 0.00 C ATOM 1027 CD2 LEU A 48 10.348 14.948 -35.682 1.00 0.00 C ATOM 0 H LEU A 48 10.927 17.236 -31.306 1.00 0.00 H new ATOM 0 HA LEU A 48 10.068 14.647 -32.099 1.00 0.00 H new ATOM 0 HB2 LEU A 48 9.674 17.041 -33.149 1.00 0.00 H new ATOM 0 HB3 LEU A 48 11.123 16.694 -34.071 1.00 0.00 H new ATOM 0 HG LEU A 48 9.130 14.470 -33.972 1.00 0.00 H new ATOM 0 HD11 LEU A 48 7.681 15.540 -35.681 1.00 0.00 H new ATOM 0 HD12 LEU A 48 7.644 16.450 -34.153 1.00 0.00 H new ATOM 0 HD13 LEU A 48 8.609 17.050 -35.522 1.00 0.00 H new ATOM 0 HD21 LEU A 48 9.765 14.329 -36.364 1.00 0.00 H new ATOM 0 HD22 LEU A 48 10.694 15.838 -36.207 1.00 0.00 H new ATOM 0 HD23 LEU A 48 11.207 14.382 -35.322 1.00 0.00 H new ATOM 1028 N LYS A 49 13.230 15.358 -32.843 1.00 0.00 N ATOM 1029 CA LYS A 49 14.506 14.698 -33.278 1.00 0.00 C ATOM 1030 C LYS A 49 14.832 13.535 -32.330 1.00 0.00 C ATOM 1031 O LYS A 49 15.269 12.472 -32.767 1.00 0.00 O ATOM 1032 CB LYS A 49 15.663 15.708 -33.255 1.00 0.00 C ATOM 1033 CG LYS A 49 15.756 16.418 -34.609 1.00 0.00 C ATOM 1034 CD LYS A 49 16.841 15.759 -35.464 1.00 0.00 C ATOM 1035 CE LYS A 49 17.468 16.805 -36.388 1.00 0.00 C ATOM 1036 NZ LYS A 49 18.376 17.685 -35.600 1.00 0.00 N ATOM 0 H LYS A 49 13.315 16.339 -32.578 1.00 0.00 H new ATOM 0 HA LYS A 49 14.379 14.324 -34.294 1.00 0.00 H new ATOM 0 HB2 LYS A 49 15.505 16.438 -32.461 1.00 0.00 H new ATOM 0 HB3 LYS A 49 16.600 15.197 -33.037 1.00 0.00 H new ATOM 0 HG2 LYS A 49 14.796 16.370 -35.122 1.00 0.00 H new ATOM 0 HG3 LYS A 49 15.986 17.473 -34.462 1.00 0.00 H new ATOM 0 HD2 LYS A 49 17.606 15.318 -34.824 1.00 0.00 H new ATOM 0 HD3 LYS A 49 16.412 14.948 -36.053 1.00 0.00 H new ATOM 0 HE2 LYS A 49 18.024 16.314 -37.187 1.00 0.00 H new ATOM 0 HE3 LYS A 49 16.688 17.401 -36.862 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 19.066 18.131 -36.237 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 17.818 18.422 -35.123 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 18.879 17.117 -34.888 1.00 0.00 H new ATOM 1037 N MET A 50 14.633 13.707 -31.040 1.00 0.00 N ATOM 1038 CA MET A 50 14.941 12.602 -30.087 1.00 0.00 C ATOM 1039 C MET A 50 13.630 12.035 -29.523 1.00 0.00 C ATOM 1040 O MET A 50 13.399 12.059 -28.314 1.00 0.00 O ATOM 1041 CB MET A 50 15.805 13.141 -28.943 1.00 0.00 C ATOM 1042 CG MET A 50 17.033 13.850 -29.517 1.00 0.00 C ATOM 1043 SD MET A 50 18.015 12.674 -30.481 1.00 0.00 S ATOM 1044 CE MET A 50 18.771 11.810 -29.082 1.00 0.00 C ATOM 0 H MET A 50 14.273 14.561 -30.614 1.00 0.00 H new ATOM 0 HA MET A 50 15.483 11.811 -30.606 1.00 0.00 H new ATOM 0 HB2 MET A 50 15.226 13.833 -28.331 1.00 0.00 H new ATOM 0 HB3 MET A 50 16.116 12.324 -28.292 1.00 0.00 H new ATOM 0 HG2 MET A 50 16.723 14.684 -30.147 1.00 0.00 H new ATOM 0 HG3 MET A 50 17.635 14.267 -28.710 1.00 0.00 H new ATOM 0 HE1 MET A 50 19.848 11.981 -29.088 1.00 0.00 H new ATOM 0 HE2 MET A 50 18.349 12.187 -28.150 1.00 0.00 H new ATOM 0 HE3 MET A 50 18.573 10.741 -29.164 1.00 0.00 H new ATOM 1045 N ARG A 51 12.760 11.521 -30.368 1.00 0.00 N ATOM 1046 CA ARG A 51 11.475 10.960 -29.861 1.00 0.00 C ATOM 1047 C ARG A 51 11.517 9.428 -29.954 1.00 0.00 C ATOM 1048 O ARG A 51 12.076 8.867 -30.894 1.00 0.00 O ATOM 1049 CB ARG A 51 10.316 11.496 -30.710 1.00 0.00 C ATOM 1050 CG ARG A 51 9.147 11.887 -29.801 1.00 0.00 C ATOM 1051 CD ARG A 51 8.161 12.764 -30.578 1.00 0.00 C ATOM 1052 NE ARG A 51 7.636 13.832 -29.683 1.00 0.00 N ATOM 1053 CZ ARG A 51 6.538 13.633 -29.005 1.00 0.00 C ATOM 1054 NH1 ARG A 51 6.446 12.616 -28.195 1.00 0.00 N ATOM 1055 NH2 ARG A 51 5.532 14.455 -29.138 1.00 0.00 N ATOM 0 H ARG A 51 12.889 11.469 -31.378 1.00 0.00 H new ATOM 0 HA ARG A 51 11.330 11.256 -28.822 1.00 0.00 H new ATOM 0 HB2 ARG A 51 10.645 12.360 -31.287 1.00 0.00 H new ATOM 0 HB3 ARG A 51 9.996 10.738 -31.425 1.00 0.00 H new ATOM 0 HG2 ARG A 51 8.643 10.992 -29.435 1.00 0.00 H new ATOM 0 HG3 ARG A 51 9.517 12.424 -28.928 1.00 0.00 H new ATOM 0 HD2 ARG A 51 8.656 13.209 -31.442 1.00 0.00 H new ATOM 0 HD3 ARG A 51 7.340 12.157 -30.959 1.00 0.00 H new ATOM 0 HE ARG A 51 8.134 14.718 -29.600 1.00 0.00 H new ATOM 0 HH11 ARG A 51 7.232 11.975 -28.090 1.00 0.00 H new ATOM 0 HH12 ARG A 51 5.588 12.461 -27.666 1.00 0.00 H new ATOM 0 HH21 ARG A 51 5.604 15.251 -29.771 1.00 0.00 H new ATOM 0 HH22 ARG A 51 4.674 14.301 -28.609 1.00 0.00 H new ATOM 1056 N GLY A 52 10.939 8.732 -28.997 1.00 0.00 N ATOM 1057 CA GLY A 52 10.956 7.241 -29.043 1.00 0.00 C ATOM 1058 C GLY A 52 12.389 6.729 -28.829 1.00 0.00 C ATOM 1059 O GLY A 52 12.813 5.764 -29.464 1.00 0.00 O ATOM 0 H GLY A 52 10.460 9.136 -28.192 1.00 0.00 H new ATOM 0 HA2 GLY A 52 10.297 6.837 -28.274 1.00 0.00 H new ATOM 0 HA3 GLY A 52 10.576 6.893 -30.004 1.00 0.00 H new ATOM 1060 N GLN A 53 13.149 7.349 -27.949 1.00 0.00 N ATOM 1061 CA GLN A 53 14.550 6.880 -27.713 1.00 0.00 C ATOM 1062 C GLN A 53 15.009 7.288 -26.301 1.00 0.00 C ATOM 1063 O GLN A 53 14.388 8.137 -25.660 1.00 0.00 O ATOM 1064 CB GLN A 53 15.479 7.512 -28.753 1.00 0.00 C ATOM 1065 CG GLN A 53 15.353 9.036 -28.697 1.00 0.00 C ATOM 1066 CD GLN A 53 16.305 9.590 -27.629 1.00 0.00 C ATOM 1067 OE1 GLN A 53 17.449 9.156 -27.533 1.00 0.00 O ATOM 1068 NE2 GLN A 53 15.896 10.532 -26.814 1.00 0.00 N ATOM 0 H GLN A 53 12.859 8.152 -27.391 1.00 0.00 H new ATOM 0 HA GLN A 53 14.585 5.794 -27.801 1.00 0.00 H new ATOM 0 HB2 GLN A 53 16.510 7.215 -28.562 1.00 0.00 H new ATOM 0 HB3 GLN A 53 15.223 7.152 -29.750 1.00 0.00 H new ATOM 0 HG2 GLN A 53 15.590 9.467 -29.670 1.00 0.00 H new ATOM 0 HG3 GLN A 53 14.326 9.318 -28.465 1.00 0.00 H new ATOM 0 HE21 GLN A 53 14.946 10.895 -26.890 1.00 0.00 H new ATOM 0 HE22 GLN A 53 16.528 10.901 -26.104 1.00 0.00 H new ATOM 1069 N ALA A 54 16.078 6.708 -25.798 1.00 0.00 N ATOM 1070 CA ALA A 54 16.547 7.082 -24.429 1.00 0.00 C ATOM 1071 C ALA A 54 18.065 6.867 -24.311 1.00 0.00 C ATOM 1072 O ALA A 54 18.707 6.375 -25.238 1.00 0.00 O ATOM 1073 CB ALA A 54 15.830 6.214 -23.392 1.00 0.00 C ATOM 0 H ALA A 54 16.638 6.000 -26.273 1.00 0.00 H new ATOM 0 HA ALA A 54 16.322 8.134 -24.251 1.00 0.00 H new ATOM 0 HB1 ALA A 54 16.171 6.485 -22.393 1.00 0.00 H new ATOM 0 HB2 ALA A 54 14.754 6.374 -23.465 1.00 0.00 H new ATOM 0 HB3 ALA A 54 16.054 5.164 -23.579 1.00 0.00 H new ATOM 1074 N PHE A 55 18.656 7.223 -23.189 1.00 0.00 N ATOM 1075 CA PHE A 55 20.127 7.033 -23.022 1.00 0.00 C ATOM 1076 C PHE A 55 20.409 6.520 -21.604 1.00 0.00 C ATOM 1077 O PHE A 55 19.845 7.026 -20.634 1.00 0.00 O ATOM 1078 CB PHE A 55 20.842 8.373 -23.216 1.00 0.00 C ATOM 1079 CG PHE A 55 20.843 8.753 -24.677 1.00 0.00 C ATOM 1080 CD1 PHE A 55 21.860 8.290 -25.520 1.00 0.00 C ATOM 1081 CD2 PHE A 55 19.831 9.575 -25.186 1.00 0.00 C ATOM 1082 CE1 PHE A 55 21.865 8.649 -26.873 1.00 0.00 C ATOM 1083 CE2 PHE A 55 19.837 9.935 -26.538 1.00 0.00 C ATOM 1084 CZ PHE A 55 20.853 9.473 -27.382 1.00 0.00 C ATOM 0 H PHE A 55 18.179 7.635 -22.387 1.00 0.00 H new ATOM 0 HA PHE A 55 20.487 6.315 -23.759 1.00 0.00 H new ATOM 0 HB2 PHE A 55 20.345 9.147 -22.631 1.00 0.00 H new ATOM 0 HB3 PHE A 55 21.866 8.304 -22.849 1.00 0.00 H new ATOM 0 HD1 PHE A 55 22.641 7.656 -25.127 1.00 0.00 H new ATOM 0 HD2 PHE A 55 19.046 9.931 -24.536 1.00 0.00 H new ATOM 0 HE1 PHE A 55 22.649 8.291 -27.524 1.00 0.00 H new ATOM 0 HE2 PHE A 55 19.057 10.570 -26.931 1.00 0.00 H new ATOM 0 HZ PHE A 55 20.857 9.752 -28.425 1.00 0.00 H new ATOM 1085 N VAL A 56 21.269 5.536 -21.448 1.00 0.00 N ATOM 1086 CA VAL A 56 21.563 5.029 -20.071 1.00 0.00 C ATOM 1087 C VAL A 56 23.077 5.045 -19.818 1.00 0.00 C ATOM 1088 O VAL A 56 23.850 4.477 -20.585 1.00 0.00 O ATOM 1089 CB VAL A 56 21.046 3.598 -19.918 1.00 0.00 C ATOM 1090 CG1 VAL A 56 21.236 3.138 -18.468 1.00 0.00 C ATOM 1091 CG2 VAL A 56 19.558 3.551 -20.281 1.00 0.00 C ATOM 0 H VAL A 56 21.771 5.070 -22.204 1.00 0.00 H new ATOM 0 HA VAL A 56 21.065 5.676 -19.349 1.00 0.00 H new ATOM 0 HB VAL A 56 21.602 2.937 -20.583 1.00 0.00 H new ATOM 0 HG11 VAL A 56 20.868 2.118 -18.359 1.00 0.00 H new ATOM 0 HG12 VAL A 56 22.295 3.171 -18.212 1.00 0.00 H new ATOM 0 HG13 VAL A 56 20.681 3.798 -17.801 1.00 0.00 H new ATOM 0 HG21 VAL A 56 19.189 2.531 -20.172 1.00 0.00 H new ATOM 0 HG22 VAL A 56 19.000 4.211 -19.617 1.00 0.00 H new ATOM 0 HG23 VAL A 56 19.425 3.877 -21.313 1.00 0.00 H new ATOM 1092 N ILE A 57 23.519 5.674 -18.752 1.00 0.00 N ATOM 1093 CA ILE A 57 24.982 5.704 -18.460 1.00 0.00 C ATOM 1094 C ILE A 57 25.301 4.638 -17.403 1.00 0.00 C ATOM 1095 O ILE A 57 24.798 4.699 -16.283 1.00 0.00 O ATOM 1096 CB ILE A 57 25.371 7.085 -17.928 1.00 0.00 C ATOM 1097 CG1 ILE A 57 24.915 8.160 -18.919 1.00 0.00 C ATOM 1098 CG2 ILE A 57 26.890 7.159 -17.762 1.00 0.00 C ATOM 1099 CD1 ILE A 57 24.891 9.520 -18.219 1.00 0.00 C ATOM 0 H ILE A 57 22.931 6.164 -18.078 1.00 0.00 H new ATOM 0 HA ILE A 57 25.544 5.500 -19.371 1.00 0.00 H new ATOM 0 HB ILE A 57 24.891 7.251 -16.963 1.00 0.00 H new ATOM 0 HG12 ILE A 57 25.590 8.191 -19.775 1.00 0.00 H new ATOM 0 HG13 ILE A 57 23.924 7.919 -19.303 1.00 0.00 H new ATOM 0 HG21 ILE A 57 27.167 8.143 -17.383 1.00 0.00 H new ATOM 0 HG22 ILE A 57 27.217 6.394 -17.058 1.00 0.00 H new ATOM 0 HG23 ILE A 57 27.370 6.993 -18.727 1.00 0.00 H new ATOM 0 HD11 ILE A 57 24.567 10.286 -18.923 1.00 0.00 H new ATOM 0 HD12 ILE A 57 24.199 9.484 -17.378 1.00 0.00 H new ATOM 0 HD13 ILE A 57 25.890 9.760 -17.856 1.00 0.00 H new ATOM 1100 N PHE A 58 26.121 3.661 -17.727 1.00 0.00 N ATOM 1101 CA PHE A 58 26.449 2.608 -16.722 1.00 0.00 C ATOM 1102 C PHE A 58 27.796 2.936 -16.062 1.00 0.00 C ATOM 1103 O PHE A 58 28.709 3.441 -16.713 1.00 0.00 O ATOM 1104 CB PHE A 58 26.535 1.245 -17.413 1.00 0.00 C ATOM 1105 CG PHE A 58 25.242 0.489 -17.206 1.00 0.00 C ATOM 1106 CD1 PHE A 58 24.794 0.203 -15.909 1.00 0.00 C ATOM 1107 CD2 PHE A 58 24.492 0.072 -18.311 1.00 0.00 C ATOM 1108 CE1 PHE A 58 23.598 -0.499 -15.720 1.00 0.00 C ATOM 1109 CE2 PHE A 58 23.296 -0.631 -18.122 1.00 0.00 C ATOM 1110 CZ PHE A 58 22.849 -0.916 -16.827 1.00 0.00 C ATOM 0 H PHE A 58 26.571 3.552 -18.636 1.00 0.00 H new ATOM 0 HA PHE A 58 25.669 2.576 -15.962 1.00 0.00 H new ATOM 0 HB2 PHE A 58 26.724 1.377 -18.478 1.00 0.00 H new ATOM 0 HB3 PHE A 58 27.371 0.673 -17.009 1.00 0.00 H new ATOM 0 HD1 PHE A 58 25.372 0.524 -15.055 1.00 0.00 H new ATOM 0 HD2 PHE A 58 24.836 0.293 -19.311 1.00 0.00 H new ATOM 0 HE1 PHE A 58 23.253 -0.719 -14.721 1.00 0.00 H new ATOM 0 HE2 PHE A 58 22.718 -0.953 -18.976 1.00 0.00 H new ATOM 0 HZ PHE A 58 21.926 -1.458 -16.681 1.00 0.00 H new ATOM 1111 N LYS A 59 27.946 2.663 -14.781 1.00 0.00 N ATOM 1112 CA LYS A 59 29.249 2.970 -14.102 1.00 0.00 C ATOM 1113 C LYS A 59 30.395 2.282 -14.861 1.00 0.00 C ATOM 1114 O LYS A 59 31.463 2.863 -15.048 1.00 0.00 O ATOM 1115 CB LYS A 59 29.230 2.464 -12.652 1.00 0.00 C ATOM 1116 CG LYS A 59 30.308 3.188 -11.843 1.00 0.00 C ATOM 1117 CD LYS A 59 31.587 2.348 -11.828 1.00 0.00 C ATOM 1118 CE LYS A 59 32.391 2.664 -10.565 1.00 0.00 C ATOM 1119 NZ LYS A 59 33.829 2.360 -10.804 1.00 0.00 N ATOM 0 H LYS A 59 27.231 2.246 -14.185 1.00 0.00 H new ATOM 0 HA LYS A 59 29.397 4.050 -14.100 1.00 0.00 H new ATOM 0 HB2 LYS A 59 28.250 2.638 -12.208 1.00 0.00 H new ATOM 0 HB3 LYS A 59 29.404 1.388 -12.629 1.00 0.00 H new ATOM 0 HG2 LYS A 59 30.508 4.167 -12.279 1.00 0.00 H new ATOM 0 HG3 LYS A 59 29.960 3.358 -10.824 1.00 0.00 H new ATOM 0 HD2 LYS A 59 31.338 1.287 -11.858 1.00 0.00 H new ATOM 0 HD3 LYS A 59 32.184 2.560 -12.715 1.00 0.00 H new ATOM 0 HE2 LYS A 59 32.270 3.713 -10.297 1.00 0.00 H new ATOM 0 HE3 LYS A 59 32.018 2.076 -9.727 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 34.376 2.574 -9.946 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 33.936 1.353 -11.040 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 34.180 2.940 -11.593 1.00 0.00 H new ATOM 1120 N GLU A 60 30.198 1.060 -15.306 1.00 0.00 N ATOM 1121 CA GLU A 60 31.277 0.357 -16.049 1.00 0.00 C ATOM 1122 C GLU A 60 30.743 -0.091 -17.417 1.00 0.00 C ATOM 1123 O GLU A 60 29.551 -0.354 -17.571 1.00 0.00 O ATOM 1124 CB GLU A 60 31.737 -0.865 -15.252 1.00 0.00 C ATOM 1125 CG GLU A 60 32.826 -0.449 -14.261 1.00 0.00 C ATOM 1126 CD GLU A 60 33.560 -1.692 -13.756 1.00 0.00 C ATOM 1127 OE1 GLU A 60 32.959 -2.450 -13.013 1.00 0.00 O ATOM 1128 OE2 GLU A 60 34.711 -1.866 -14.122 1.00 0.00 O ATOM 0 H GLU A 60 29.337 0.527 -15.183 1.00 0.00 H new ATOM 0 HA GLU A 60 32.121 1.032 -16.191 1.00 0.00 H new ATOM 0 HB2 GLU A 60 30.893 -1.303 -14.719 1.00 0.00 H new ATOM 0 HB3 GLU A 60 32.119 -1.630 -15.928 1.00 0.00 H new ATOM 0 HG2 GLU A 60 33.529 0.231 -14.742 1.00 0.00 H new ATOM 0 HG3 GLU A 60 32.383 0.090 -13.423 1.00 0.00 H new ATOM 1129 N VAL A 61 31.592 -0.187 -18.416 1.00 0.00 N ATOM 1130 CA VAL A 61 31.106 -0.624 -19.767 1.00 0.00 C ATOM 1131 C VAL A 61 30.536 -2.055 -19.685 1.00 0.00 C ATOM 1132 O VAL A 61 29.605 -2.396 -20.412 1.00 0.00 O ATOM 1133 CB VAL A 61 32.252 -0.569 -20.794 1.00 0.00 C ATOM 1134 CG1 VAL A 61 33.381 -1.511 -20.371 1.00 0.00 C ATOM 1135 CG2 VAL A 61 31.729 -0.987 -22.171 1.00 0.00 C ATOM 0 H VAL A 61 32.590 0.016 -18.356 1.00 0.00 H new ATOM 0 HA VAL A 61 30.317 0.055 -20.091 1.00 0.00 H new ATOM 0 HB VAL A 61 32.636 0.450 -20.843 1.00 0.00 H new ATOM 0 HG11 VAL A 61 34.187 -1.465 -21.104 1.00 0.00 H new ATOM 0 HG12 VAL A 61 33.760 -1.209 -19.395 1.00 0.00 H new ATOM 0 HG13 VAL A 61 33.001 -2.531 -20.313 1.00 0.00 H new ATOM 0 HG21 VAL A 61 32.542 -0.947 -22.896 1.00 0.00 H new ATOM 0 HG22 VAL A 61 31.339 -2.003 -22.119 1.00 0.00 H new ATOM 0 HG23 VAL A 61 30.934 -0.308 -22.480 1.00 0.00 H new ATOM 1136 N SER A 62 31.064 -2.901 -18.824 1.00 0.00 N ATOM 1137 CA SER A 62 30.521 -4.298 -18.727 1.00 0.00 C ATOM 1138 C SER A 62 29.053 -4.259 -18.266 1.00 0.00 C ATOM 1139 O SER A 62 28.244 -5.081 -18.690 1.00 0.00 O ATOM 1140 CB SER A 62 31.340 -5.124 -17.728 1.00 0.00 C ATOM 1141 OG SER A 62 32.661 -5.294 -18.229 1.00 0.00 O ATOM 0 H SER A 62 31.837 -2.688 -18.193 1.00 0.00 H new ATOM 0 HA SER A 62 30.586 -4.761 -19.712 1.00 0.00 H new ATOM 0 HB2 SER A 62 31.367 -4.623 -16.760 1.00 0.00 H new ATOM 0 HB3 SER A 62 30.871 -6.095 -17.571 1.00 0.00 H new ATOM 0 HG SER A 62 33.187 -5.820 -17.592 1.00 0.00 H new ATOM 1142 N SER A 63 28.684 -3.332 -17.403 1.00 0.00 N ATOM 1143 CA SER A 63 27.257 -3.277 -16.933 1.00 0.00 C ATOM 1144 C SER A 63 26.308 -3.090 -18.133 1.00 0.00 C ATOM 1145 O SER A 63 25.192 -3.610 -18.131 1.00 0.00 O ATOM 1146 CB SER A 63 27.064 -2.112 -15.954 1.00 0.00 C ATOM 1147 OG SER A 63 28.223 -1.984 -15.142 1.00 0.00 O ATOM 0 H SER A 63 29.301 -2.621 -17.010 1.00 0.00 H new ATOM 0 HA SER A 63 27.026 -4.216 -16.429 1.00 0.00 H new ATOM 0 HB2 SER A 63 26.886 -1.187 -16.502 1.00 0.00 H new ATOM 0 HB3 SER A 63 26.187 -2.287 -15.331 1.00 0.00 H new ATOM 0 HG SER A 63 28.103 -1.239 -14.516 1.00 0.00 H new ATOM 1148 N ALA A 64 26.714 -2.371 -19.161 1.00 0.00 N ATOM 1149 CA ALA A 64 25.811 -2.182 -20.340 1.00 0.00 C ATOM 1150 C ALA A 64 25.831 -3.444 -21.217 1.00 0.00 C ATOM 1151 O ALA A 64 24.850 -3.749 -21.891 1.00 0.00 O ATOM 1152 CB ALA A 64 26.265 -0.974 -21.175 1.00 0.00 C ATOM 0 H ALA A 64 27.623 -1.913 -19.230 1.00 0.00 H new ATOM 0 HA ALA A 64 24.799 -2.003 -19.978 1.00 0.00 H new ATOM 0 HB1 ALA A 64 25.598 -0.850 -22.028 1.00 0.00 H new ATOM 0 HB2 ALA A 64 26.237 -0.075 -20.559 1.00 0.00 H new ATOM 0 HB3 ALA A 64 27.282 -1.139 -21.530 1.00 0.00 H new ATOM 1153 N THR A 65 26.922 -4.184 -21.237 1.00 0.00 N ATOM 1154 CA THR A 65 26.966 -5.414 -22.090 1.00 0.00 C ATOM 1155 C THR A 65 25.926 -6.433 -21.592 1.00 0.00 C ATOM 1156 O THR A 65 25.267 -7.098 -22.390 1.00 0.00 O ATOM 1157 CB THR A 65 28.362 -6.050 -22.036 1.00 0.00 C ATOM 1158 OG1 THR A 65 29.340 -5.073 -22.364 1.00 0.00 O ATOM 1159 CG2 THR A 65 28.438 -7.206 -23.035 1.00 0.00 C ATOM 0 H THR A 65 27.771 -3.990 -20.706 1.00 0.00 H new ATOM 0 HA THR A 65 26.740 -5.131 -23.118 1.00 0.00 H new ATOM 0 HB THR A 65 28.549 -6.429 -21.031 1.00 0.00 H new ATOM 0 HG1 THR A 65 28.904 -4.302 -22.784 1.00 0.00 H new ATOM 0 HG21 THR A 65 29.430 -7.656 -22.995 1.00 0.00 H new ATOM 0 HG22 THR A 65 27.689 -7.956 -22.782 1.00 0.00 H new ATOM 0 HG23 THR A 65 28.250 -6.831 -24.041 1.00 0.00 H new ATOM 1160 N ASN A 66 25.763 -6.577 -20.292 1.00 0.00 N ATOM 1161 CA ASN A 66 24.762 -7.564 -19.774 1.00 0.00 C ATOM 1162 C ASN A 66 23.344 -6.990 -19.918 1.00 0.00 C ATOM 1163 O ASN A 66 22.410 -7.712 -20.257 1.00 0.00 O ATOM 1164 CB ASN A 66 25.038 -7.874 -18.296 1.00 0.00 C ATOM 1165 CG ASN A 66 24.863 -9.376 -18.044 1.00 0.00 C ATOM 1166 OD1 ASN A 66 25.612 -10.239 -18.688 1.00 0.00 O flip ATOM 1167 ND2 ASN A 66 24.025 -9.779 -17.242 1.00 0.00 N flip ATOM 0 H ASN A 66 26.275 -6.059 -19.578 1.00 0.00 H new ATOM 0 HA ASN A 66 24.845 -8.484 -20.353 1.00 0.00 H new ATOM 0 HB2 ASN A 66 26.050 -7.566 -18.032 1.00 0.00 H new ATOM 0 HB3 ASN A 66 24.357 -7.307 -17.662 1.00 0.00 H new ATOM 0 HD21 ASN A 66 23.440 -9.113 -16.738 1.00 0.00 H new ATOM 0 HD22 ASN A 66 23.914 -10.780 -17.080 1.00 0.00 H new ATOM 1168 N ALA A 67 23.155 -5.711 -19.670 1.00 0.00 N ATOM 1169 CA ALA A 67 21.779 -5.123 -19.808 1.00 0.00 C ATOM 1170 C ALA A 67 21.327 -5.113 -21.287 1.00 0.00 C ATOM 1171 O ALA A 67 20.139 -4.955 -21.568 1.00 0.00 O ATOM 1172 CB ALA A 67 21.763 -3.684 -19.274 1.00 0.00 C ATOM 0 H ALA A 67 23.883 -5.057 -19.382 1.00 0.00 H new ATOM 0 HA ALA A 67 21.093 -5.742 -19.230 1.00 0.00 H new ATOM 0 HB1 ALA A 67 20.761 -3.268 -19.379 1.00 0.00 H new ATOM 0 HB2 ALA A 67 22.048 -3.683 -18.222 1.00 0.00 H new ATOM 0 HB3 ALA A 67 22.469 -3.077 -19.841 1.00 0.00 H new ATOM 1173 N LEU A 68 22.227 -5.266 -22.242 1.00 0.00 N ATOM 1174 CA LEU A 68 21.803 -5.248 -23.677 1.00 0.00 C ATOM 1175 C LEU A 68 21.533 -6.681 -24.169 1.00 0.00 C ATOM 1176 O LEU A 68 20.617 -6.910 -24.957 1.00 0.00 O ATOM 1177 CB LEU A 68 22.917 -4.625 -24.526 1.00 0.00 C ATOM 1178 CG LEU A 68 22.306 -3.840 -25.687 1.00 0.00 C ATOM 1179 CD1 LEU A 68 23.191 -2.633 -26.005 1.00 0.00 C ATOM 1180 CD2 LEU A 68 22.213 -4.742 -26.919 1.00 0.00 C ATOM 0 H LEU A 68 23.226 -5.401 -22.085 1.00 0.00 H new ATOM 0 HA LEU A 68 20.890 -4.661 -23.770 1.00 0.00 H new ATOM 0 HB2 LEU A 68 23.529 -3.965 -23.911 1.00 0.00 H new ATOM 0 HB3 LEU A 68 23.575 -5.405 -24.909 1.00 0.00 H new ATOM 0 HG LEU A 68 21.308 -3.498 -25.411 1.00 0.00 H new ATOM 0 HD11 LEU A 68 22.757 -2.072 -26.833 1.00 0.00 H new ATOM 0 HD12 LEU A 68 23.259 -1.991 -25.127 1.00 0.00 H new ATOM 0 HD13 LEU A 68 24.188 -2.976 -26.282 1.00 0.00 H new ATOM 0 HD21 LEU A 68 21.777 -4.183 -27.747 1.00 0.00 H new ATOM 0 HD22 LEU A 68 23.210 -5.083 -27.196 1.00 0.00 H new ATOM 0 HD23 LEU A 68 21.585 -5.603 -26.693 1.00 0.00 H new ATOM 1181 N ARG A 69 22.307 -7.653 -23.733 1.00 0.00 N ATOM 1182 CA ARG A 69 22.074 -9.061 -24.203 1.00 0.00 C ATOM 1183 C ARG A 69 20.749 -9.600 -23.632 1.00 0.00 C ATOM 1184 O ARG A 69 20.043 -10.357 -24.296 1.00 0.00 O ATOM 1185 CB ARG A 69 23.226 -9.971 -23.749 1.00 0.00 C ATOM 1186 CG ARG A 69 24.575 -9.350 -24.147 1.00 0.00 C ATOM 1187 CD ARG A 69 25.321 -10.283 -25.105 1.00 0.00 C ATOM 1188 NE ARG A 69 25.473 -11.624 -24.475 1.00 0.00 N ATOM 1189 CZ ARG A 69 26.433 -11.838 -23.617 1.00 0.00 C ATOM 1190 NH1 ARG A 69 27.621 -12.174 -24.038 1.00 0.00 N ATOM 1191 NH2 ARG A 69 26.204 -11.713 -22.338 1.00 0.00 N ATOM 0 H ARG A 69 23.081 -7.534 -23.080 1.00 0.00 H new ATOM 0 HA ARG A 69 22.025 -9.055 -25.292 1.00 0.00 H new ATOM 0 HB2 ARG A 69 23.185 -10.111 -22.669 1.00 0.00 H new ATOM 0 HB3 ARG A 69 23.122 -10.957 -24.203 1.00 0.00 H new ATOM 0 HG2 ARG A 69 24.413 -8.382 -24.622 1.00 0.00 H new ATOM 0 HG3 ARG A 69 25.179 -9.171 -23.257 1.00 0.00 H new ATOM 0 HD2 ARG A 69 24.774 -10.370 -26.044 1.00 0.00 H new ATOM 0 HD3 ARG A 69 26.300 -9.869 -25.344 1.00 0.00 H new ATOM 0 HE ARG A 69 24.826 -12.376 -24.714 1.00 0.00 H new ATOM 0 HH11 ARG A 69 27.800 -12.269 -25.038 1.00 0.00 H new ATOM 0 HH12 ARG A 69 28.371 -12.341 -23.368 1.00 0.00 H new ATOM 0 HH21 ARG A 69 25.275 -11.448 -22.010 1.00 0.00 H new ATOM 0 HH22 ARG A 69 26.954 -11.880 -21.667 1.00 0.00 H new ATOM 1192 N SER A 70 20.395 -9.237 -22.419 1.00 0.00 N ATOM 1193 CA SER A 70 19.118 -9.747 -21.828 1.00 0.00 C ATOM 1194 C SER A 70 17.927 -8.865 -22.251 1.00 0.00 C ATOM 1195 O SER A 70 16.795 -9.344 -22.317 1.00 0.00 O ATOM 1196 CB SER A 70 19.217 -9.756 -20.299 1.00 0.00 C ATOM 1197 OG SER A 70 18.004 -10.256 -19.752 1.00 0.00 O ATOM 0 H SER A 70 20.933 -8.613 -21.818 1.00 0.00 H new ATOM 0 HA SER A 70 18.956 -10.760 -22.195 1.00 0.00 H new ATOM 0 HB2 SER A 70 20.055 -10.376 -19.981 1.00 0.00 H new ATOM 0 HB3 SER A 70 19.408 -8.748 -19.930 1.00 0.00 H new ATOM 0 HG SER A 70 18.065 -10.264 -18.774 1.00 0.00 H new ATOM 1198 N MET A 71 18.136 -7.594 -22.537 1.00 0.00 N ATOM 1199 CA MET A 71 16.989 -6.728 -22.943 1.00 0.00 C ATOM 1200 C MET A 71 16.989 -6.533 -24.469 1.00 0.00 C ATOM 1201 O MET A 71 16.630 -5.464 -24.961 1.00 0.00 O ATOM 1202 CB MET A 71 17.112 -5.366 -22.258 1.00 0.00 C ATOM 1203 CG MET A 71 16.899 -5.529 -20.753 1.00 0.00 C ATOM 1204 SD MET A 71 16.120 -4.036 -20.088 1.00 0.00 S ATOM 1205 CE MET A 71 14.450 -4.356 -20.705 1.00 0.00 C ATOM 0 H MET A 71 19.044 -7.130 -22.505 1.00 0.00 H new ATOM 0 HA MET A 71 16.057 -7.208 -22.644 1.00 0.00 H new ATOM 0 HB2 MET A 71 18.095 -4.937 -22.452 1.00 0.00 H new ATOM 0 HB3 MET A 71 16.376 -4.674 -22.667 1.00 0.00 H new ATOM 0 HG2 MET A 71 16.271 -6.398 -20.556 1.00 0.00 H new ATOM 0 HG3 MET A 71 17.853 -5.706 -20.257 1.00 0.00 H new ATOM 0 HE1 MET A 71 14.152 -3.555 -21.382 1.00 0.00 H new ATOM 0 HE2 MET A 71 14.435 -5.306 -21.239 1.00 0.00 H new ATOM 0 HE3 MET A 71 13.755 -4.400 -19.867 1.00 0.00 H new ATOM 1206 N GLN A 72 17.370 -7.536 -25.233 1.00 0.00 N ATOM 1207 CA GLN A 72 17.367 -7.374 -26.721 1.00 0.00 C ATOM 1208 C GLN A 72 15.924 -7.479 -27.232 1.00 0.00 C ATOM 1209 O GLN A 72 15.430 -8.573 -27.503 1.00 0.00 O ATOM 1210 CB GLN A 72 18.222 -8.466 -27.380 1.00 0.00 C ATOM 1211 CG GLN A 72 19.622 -7.920 -27.669 1.00 0.00 C ATOM 1212 CD GLN A 72 19.706 -7.477 -29.134 1.00 0.00 C ATOM 1213 OE1 GLN A 72 19.670 -8.309 -30.039 1.00 0.00 O ATOM 1214 NE2 GLN A 72 19.818 -6.204 -29.427 1.00 0.00 N ATOM 0 H GLN A 72 17.678 -8.447 -24.893 1.00 0.00 H new ATOM 0 HA GLN A 72 17.786 -6.400 -26.975 1.00 0.00 H new ATOM 0 HB2 GLN A 72 18.288 -9.335 -26.725 1.00 0.00 H new ATOM 0 HB3 GLN A 72 17.753 -8.800 -28.306 1.00 0.00 H new ATOM 0 HG2 GLN A 72 19.839 -7.079 -27.011 1.00 0.00 H new ATOM 0 HG3 GLN A 72 20.371 -8.685 -27.466 1.00 0.00 H new ATOM 0 HE21 GLN A 72 19.848 -5.510 -28.680 1.00 0.00 H new ATOM 0 HE22 GLN A 72 19.875 -5.908 -30.401 1.00 0.00 H new ATOM 1215 N GLY A 73 15.230 -6.369 -27.365 1.00 0.00 N ATOM 1216 CA GLY A 73 13.820 -6.426 -27.850 1.00 0.00 C ATOM 1217 C GLY A 73 12.895 -6.782 -26.678 1.00 0.00 C ATOM 1218 O GLY A 73 12.390 -7.901 -26.593 1.00 0.00 O ATOM 0 H GLY A 73 15.581 -5.434 -27.159 1.00 0.00 H new ATOM 0 HA2 GLY A 73 13.531 -5.466 -28.278 1.00 0.00 H new ATOM 0 HA3 GLY A 73 13.725 -7.169 -28.642 1.00 0.00 H new ATOM 1219 N PHE A 74 12.663 -5.862 -25.766 1.00 0.00 N ATOM 1220 CA PHE A 74 11.774 -6.171 -24.608 1.00 0.00 C ATOM 1221 C PHE A 74 10.564 -5.218 -24.616 1.00 0.00 C ATOM 1222 O PHE A 74 10.614 -4.170 -25.256 1.00 0.00 O ATOM 1223 CB PHE A 74 12.562 -5.990 -23.302 1.00 0.00 C ATOM 1224 CG PHE A 74 12.709 -7.321 -22.602 1.00 0.00 C ATOM 1225 CD1 PHE A 74 13.270 -8.411 -23.280 1.00 0.00 C ATOM 1226 CD2 PHE A 74 12.283 -7.465 -21.276 1.00 0.00 C ATOM 1227 CE1 PHE A 74 13.406 -9.644 -22.630 1.00 0.00 C ATOM 1228 CE2 PHE A 74 12.419 -8.699 -20.627 1.00 0.00 C ATOM 1229 CZ PHE A 74 12.980 -9.788 -21.304 1.00 0.00 C ATOM 0 H PHE A 74 13.050 -4.919 -25.778 1.00 0.00 H new ATOM 0 HA PHE A 74 11.422 -7.200 -24.683 1.00 0.00 H new ATOM 0 HB2 PHE A 74 13.545 -5.571 -23.515 1.00 0.00 H new ATOM 0 HB3 PHE A 74 12.048 -5.282 -22.652 1.00 0.00 H new ATOM 0 HD1 PHE A 74 13.597 -8.301 -24.303 1.00 0.00 H new ATOM 0 HD2 PHE A 74 11.850 -6.625 -20.754 1.00 0.00 H new ATOM 0 HE1 PHE A 74 13.840 -10.484 -23.152 1.00 0.00 H new ATOM 0 HE2 PHE A 74 12.091 -8.810 -19.604 1.00 0.00 H new ATOM 0 HZ PHE A 74 13.084 -10.739 -20.804 1.00 0.00 H new ATOM 1230 N PRO A 75 9.504 -5.587 -23.915 1.00 0.00 N ATOM 1231 CA PRO A 75 8.286 -4.759 -23.847 1.00 0.00 C ATOM 1232 C PRO A 75 8.487 -3.592 -22.865 1.00 0.00 C ATOM 1233 O PRO A 75 8.997 -3.781 -21.762 1.00 0.00 O ATOM 1234 CB PRO A 75 7.216 -5.725 -23.333 1.00 0.00 C ATOM 1235 CG PRO A 75 7.966 -6.864 -22.605 1.00 0.00 C ATOM 1236 CD PRO A 75 9.412 -6.848 -23.133 1.00 0.00 C ATOM 0 HA PRO A 75 8.020 -4.311 -24.804 1.00 0.00 H new ATOM 0 HB2 PRO A 75 6.529 -5.218 -22.656 1.00 0.00 H new ATOM 0 HB3 PRO A 75 6.620 -6.118 -24.157 1.00 0.00 H new ATOM 0 HG2 PRO A 75 7.946 -6.713 -21.526 1.00 0.00 H new ATOM 0 HG3 PRO A 75 7.493 -7.826 -22.801 1.00 0.00 H new ATOM 0 HD2 PRO A 75 10.134 -6.863 -22.316 1.00 0.00 H new ATOM 0 HD3 PRO A 75 9.618 -7.718 -23.756 1.00 0.00 H new ATOM 1237 N PHE A 76 8.102 -2.391 -23.239 1.00 0.00 N ATOM 1238 CA PHE A 76 8.279 -1.229 -22.321 1.00 0.00 C ATOM 1239 C PHE A 76 7.132 -0.235 -22.535 1.00 0.00 C ATOM 1240 O PHE A 76 6.968 0.285 -23.629 1.00 0.00 O ATOM 1241 CB PHE A 76 9.622 -0.550 -22.622 1.00 0.00 C ATOM 1242 CG PHE A 76 10.377 -0.287 -21.337 1.00 0.00 C ATOM 1243 CD1 PHE A 76 10.525 -1.302 -20.383 1.00 0.00 C ATOM 1244 CD2 PHE A 76 10.936 0.975 -21.106 1.00 0.00 C ATOM 1245 CE1 PHE A 76 11.230 -1.054 -19.199 1.00 0.00 C ATOM 1246 CE2 PHE A 76 11.641 1.223 -19.922 1.00 0.00 C ATOM 1247 CZ PHE A 76 11.787 0.209 -18.969 1.00 0.00 C ATOM 0 H PHE A 76 7.675 -2.171 -24.139 1.00 0.00 H new ATOM 0 HA PHE A 76 8.270 -1.568 -21.285 1.00 0.00 H new ATOM 0 HB2 PHE A 76 10.218 -1.183 -23.279 1.00 0.00 H new ATOM 0 HB3 PHE A 76 9.453 0.388 -23.151 1.00 0.00 H new ATOM 0 HD1 PHE A 76 10.095 -2.277 -20.561 1.00 0.00 H new ATOM 0 HD2 PHE A 76 10.824 1.758 -21.841 1.00 0.00 H new ATOM 0 HE1 PHE A 76 11.344 -1.837 -18.464 1.00 0.00 H new ATOM 0 HE2 PHE A 76 12.072 2.197 -19.744 1.00 0.00 H new ATOM 0 HZ PHE A 76 12.330 0.401 -18.055 1.00 0.00 H new ATOM 1248 N TYR A 77 6.342 0.026 -21.505 1.00 0.00 N ATOM 1249 CA TYR A 77 5.190 0.979 -21.618 1.00 0.00 C ATOM 1250 C TYR A 77 4.062 0.370 -22.473 1.00 0.00 C ATOM 1251 O TYR A 77 3.118 -0.201 -21.927 1.00 0.00 O ATOM 1252 CB TYR A 77 5.653 2.333 -22.179 1.00 0.00 C ATOM 1253 CG TYR A 77 6.418 3.059 -21.102 1.00 0.00 C ATOM 1254 CD1 TYR A 77 7.770 2.769 -20.887 1.00 0.00 C ATOM 1255 CD2 TYR A 77 5.769 4.007 -20.306 1.00 0.00 C ATOM 1256 CE1 TYR A 77 8.473 3.427 -19.874 1.00 0.00 C ATOM 1257 CE2 TYR A 77 6.473 4.672 -19.296 1.00 0.00 C ATOM 1258 CZ TYR A 77 7.826 4.381 -19.080 1.00 0.00 C ATOM 1259 OH TYR A 77 8.516 5.026 -18.076 1.00 0.00 O ATOM 0 H TYR A 77 6.455 -0.391 -20.581 1.00 0.00 H new ATOM 0 HA TYR A 77 4.791 1.156 -20.619 1.00 0.00 H new ATOM 0 HB2 TYR A 77 6.282 2.184 -23.056 1.00 0.00 H new ATOM 0 HB3 TYR A 77 4.795 2.924 -22.499 1.00 0.00 H new ATOM 0 HD1 TYR A 77 8.270 2.037 -21.504 1.00 0.00 H new ATOM 0 HD2 TYR A 77 4.724 4.226 -20.470 1.00 0.00 H new ATOM 0 HE1 TYR A 77 9.515 3.199 -19.704 1.00 0.00 H new ATOM 0 HE2 TYR A 77 5.974 5.409 -18.684 1.00 0.00 H new ATOM 0 HH TYR A 77 7.902 5.239 -17.342 1.00 0.00 H new ATOM 1260 N ASP A 78 4.116 0.467 -23.784 1.00 0.00 N ATOM 1261 CA ASP A 78 3.019 -0.120 -24.612 1.00 0.00 C ATOM 1262 C ASP A 78 3.535 -0.469 -26.019 1.00 0.00 C ATOM 1263 O ASP A 78 2.871 -0.191 -27.016 1.00 0.00 O ATOM 1264 CB ASP A 78 1.874 0.890 -24.726 1.00 0.00 C ATOM 1265 CG ASP A 78 0.535 0.154 -24.662 1.00 0.00 C ATOM 1266 OD1 ASP A 78 0.351 -0.769 -25.438 1.00 0.00 O ATOM 1267 OD2 ASP A 78 -0.284 0.525 -23.838 1.00 0.00 O ATOM 0 H ASP A 78 4.864 0.922 -24.307 1.00 0.00 H new ATOM 0 HA ASP A 78 2.664 -1.032 -24.132 1.00 0.00 H new ATOM 0 HB2 ASP A 78 1.938 1.621 -23.920 1.00 0.00 H new ATOM 0 HB3 ASP A 78 1.953 1.441 -25.663 1.00 0.00 H new ATOM 1268 N LYS A 79 4.699 -1.075 -26.129 1.00 0.00 N ATOM 1269 CA LYS A 79 5.223 -1.433 -27.488 1.00 0.00 C ATOM 1270 C LYS A 79 6.598 -2.122 -27.363 1.00 0.00 C ATOM 1271 O LYS A 79 7.327 -1.863 -26.410 1.00 0.00 O ATOM 1272 CB LYS A 79 5.368 -0.159 -28.334 1.00 0.00 C ATOM 1273 CG LYS A 79 4.257 -0.105 -29.389 1.00 0.00 C ATOM 1274 CD LYS A 79 4.814 0.469 -30.697 1.00 0.00 C ATOM 1275 CE LYS A 79 4.488 1.962 -30.784 1.00 0.00 C ATOM 1276 NZ LYS A 79 4.959 2.646 -29.547 1.00 0.00 N ATOM 0 H LYS A 79 5.300 -1.333 -25.347 1.00 0.00 H new ATOM 0 HA LYS A 79 4.523 -2.117 -27.968 1.00 0.00 H new ATOM 0 HB2 LYS A 79 5.316 0.721 -27.693 1.00 0.00 H new ATOM 0 HB3 LYS A 79 6.344 -0.143 -28.819 1.00 0.00 H new ATOM 0 HG2 LYS A 79 3.856 -1.104 -29.561 1.00 0.00 H new ATOM 0 HG3 LYS A 79 3.433 0.512 -29.032 1.00 0.00 H new ATOM 0 HD2 LYS A 79 5.893 0.319 -30.741 1.00 0.00 H new ATOM 0 HD3 LYS A 79 4.384 -0.057 -31.549 1.00 0.00 H new ATOM 0 HE2 LYS A 79 4.968 2.400 -31.659 1.00 0.00 H new ATOM 0 HE3 LYS A 79 3.414 2.104 -30.905 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 5.039 3.668 -29.724 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 4.279 2.480 -28.778 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 5.889 2.268 -29.274 1.00 0.00 H new ATOM 1277 N PRO A 80 6.937 -2.976 -28.316 1.00 0.00 N ATOM 1278 CA PRO A 80 8.227 -3.687 -28.298 1.00 0.00 C ATOM 1279 C PRO A 80 9.355 -2.743 -28.743 1.00 0.00 C ATOM 1280 O PRO A 80 9.140 -1.858 -29.570 1.00 0.00 O ATOM 1281 CB PRO A 80 8.033 -4.826 -29.303 1.00 0.00 C ATOM 1282 CG PRO A 80 6.886 -4.388 -30.243 1.00 0.00 C ATOM 1283 CD PRO A 80 6.087 -3.310 -29.488 1.00 0.00 C ATOM 0 HA PRO A 80 8.504 -4.052 -27.309 1.00 0.00 H new ATOM 0 HB2 PRO A 80 8.949 -5.007 -29.866 1.00 0.00 H new ATOM 0 HB3 PRO A 80 7.783 -5.756 -28.792 1.00 0.00 H new ATOM 0 HG2 PRO A 80 7.281 -3.993 -31.179 1.00 0.00 H new ATOM 0 HG3 PRO A 80 6.249 -5.235 -30.498 1.00 0.00 H new ATOM 0 HD2 PRO A 80 5.910 -2.435 -30.113 1.00 0.00 H new ATOM 0 HD3 PRO A 80 5.111 -3.683 -29.178 1.00 0.00 H new ATOM 1284 N MET A 81 10.548 -2.901 -28.213 1.00 0.00 N ATOM 1285 CA MET A 81 11.662 -1.995 -28.619 1.00 0.00 C ATOM 1286 C MET A 81 13.002 -2.742 -28.565 1.00 0.00 C ATOM 1287 O MET A 81 13.340 -3.364 -27.558 1.00 0.00 O ATOM 1288 CB MET A 81 11.713 -0.783 -27.678 1.00 0.00 C ATOM 1289 CG MET A 81 11.661 -1.246 -26.218 1.00 0.00 C ATOM 1290 SD MET A 81 12.590 -0.086 -25.185 1.00 0.00 S ATOM 1291 CE MET A 81 13.443 -1.317 -24.169 1.00 0.00 C ATOM 0 H MET A 81 10.792 -3.612 -27.524 1.00 0.00 H new ATOM 0 HA MET A 81 11.485 -1.657 -29.640 1.00 0.00 H new ATOM 0 HB2 MET A 81 12.626 -0.214 -27.855 1.00 0.00 H new ATOM 0 HB3 MET A 81 10.876 -0.116 -27.886 1.00 0.00 H new ATOM 0 HG2 MET A 81 10.626 -1.303 -25.880 1.00 0.00 H new ATOM 0 HG3 MET A 81 12.081 -2.248 -26.128 1.00 0.00 H new ATOM 0 HE1 MET A 81 14.084 -0.812 -23.447 1.00 0.00 H new ATOM 0 HE2 MET A 81 12.709 -1.924 -23.639 1.00 0.00 H new ATOM 0 HE3 MET A 81 14.051 -1.958 -24.808 1.00 0.00 H new ATOM 1292 N ARG A 82 13.783 -2.685 -29.623 1.00 0.00 N ATOM 1293 CA ARG A 82 15.103 -3.381 -29.611 1.00 0.00 C ATOM 1294 C ARG A 82 16.171 -2.390 -29.132 1.00 0.00 C ATOM 1295 O ARG A 82 16.148 -1.218 -29.508 1.00 0.00 O ATOM 1296 CB ARG A 82 15.451 -3.869 -31.022 1.00 0.00 C ATOM 1297 CG ARG A 82 14.755 -5.206 -31.289 1.00 0.00 C ATOM 1298 CD ARG A 82 13.437 -4.960 -32.026 1.00 0.00 C ATOM 1299 NE ARG A 82 13.188 -6.074 -32.984 1.00 0.00 N ATOM 1300 CZ ARG A 82 12.160 -6.860 -32.817 1.00 0.00 C ATOM 1301 NH1 ARG A 82 12.069 -7.598 -31.745 1.00 0.00 N ATOM 1302 NH2 ARG A 82 11.222 -6.908 -33.723 1.00 0.00 N ATOM 0 H ARG A 82 13.560 -2.189 -30.486 1.00 0.00 H new ATOM 0 HA ARG A 82 15.061 -4.242 -28.943 1.00 0.00 H new ATOM 0 HB2 ARG A 82 15.138 -3.131 -31.760 1.00 0.00 H new ATOM 0 HB3 ARG A 82 16.530 -3.983 -31.122 1.00 0.00 H new ATOM 0 HG2 ARG A 82 15.401 -5.851 -31.884 1.00 0.00 H new ATOM 0 HG3 ARG A 82 14.566 -5.724 -30.348 1.00 0.00 H new ATOM 0 HD2 ARG A 82 12.616 -4.890 -31.312 1.00 0.00 H new ATOM 0 HD3 ARG A 82 13.478 -4.010 -32.559 1.00 0.00 H new ATOM 0 HE ARG A 82 13.821 -6.222 -33.770 1.00 0.00 H new ATOM 0 HH11 ARG A 82 12.802 -7.561 -31.037 1.00 0.00 H new ATOM 0 HH12 ARG A 82 11.265 -8.212 -31.615 1.00 0.00 H new ATOM 0 HH21 ARG A 82 11.293 -6.331 -34.561 1.00 0.00 H new ATOM 0 HH22 ARG A 82 10.418 -7.522 -33.593 1.00 0.00 H new ATOM 1303 N ILE A 83 17.098 -2.818 -28.304 1.00 0.00 N ATOM 1304 CA ILE A 83 18.138 -1.869 -27.812 1.00 0.00 C ATOM 1305 C ILE A 83 19.429 -2.027 -28.626 1.00 0.00 C ATOM 1306 O ILE A 83 19.873 -3.140 -28.900 1.00 0.00 O ATOM 1307 CB ILE A 83 18.438 -2.148 -26.340 1.00 0.00 C ATOM 1308 CG1 ILE A 83 17.135 -2.110 -25.539 1.00 0.00 C ATOM 1309 CG2 ILE A 83 19.397 -1.081 -25.805 1.00 0.00 C ATOM 1310 CD1 ILE A 83 17.416 -2.529 -24.096 1.00 0.00 C ATOM 0 H ILE A 83 17.175 -3.773 -27.954 1.00 0.00 H new ATOM 0 HA ILE A 83 17.762 -0.852 -27.926 1.00 0.00 H new ATOM 0 HB ILE A 83 18.897 -3.132 -26.242 1.00 0.00 H new ATOM 0 HG12 ILE A 83 16.710 -1.107 -25.562 1.00 0.00 H new ATOM 0 HG13 ILE A 83 16.400 -2.778 -25.987 1.00 0.00 H new ATOM 0 HG21 ILE A 83 19.612 -1.279 -24.755 1.00 0.00 H new ATOM 0 HG22 ILE A 83 20.325 -1.106 -26.376 1.00 0.00 H new ATOM 0 HG23 ILE A 83 18.938 -0.097 -25.902 1.00 0.00 H new ATOM 0 HD11 ILE A 83 16.489 -2.503 -23.523 1.00 0.00 H new ATOM 0 HD12 ILE A 83 17.822 -3.540 -24.083 1.00 0.00 H new ATOM 0 HD13 ILE A 83 18.137 -1.843 -23.652 1.00 0.00 H new ATOM 1311 N GLN A 84 20.052 -0.933 -29.000 1.00 0.00 N ATOM 1312 CA GLN A 84 21.323 -1.020 -29.770 1.00 0.00 C ATOM 1313 C GLN A 84 22.393 -0.242 -29.001 1.00 0.00 C ATOM 1314 O GLN A 84 22.131 0.855 -28.517 1.00 0.00 O ATOM 1315 CB GLN A 84 21.140 -0.397 -31.159 1.00 0.00 C ATOM 1316 CG GLN A 84 19.870 -0.944 -31.821 1.00 0.00 C ATOM 1317 CD GLN A 84 18.755 0.106 -31.737 1.00 0.00 C ATOM 1318 OE1 GLN A 84 17.670 -0.178 -31.233 1.00 0.00 O ATOM 1319 NE2 GLN A 84 18.956 1.315 -32.207 1.00 0.00 N ATOM 0 H GLN A 84 19.730 0.015 -28.802 1.00 0.00 H new ATOM 0 HA GLN A 84 21.616 -2.063 -29.892 1.00 0.00 H new ATOM 0 HB2 GLN A 84 21.076 0.688 -31.074 1.00 0.00 H new ATOM 0 HB3 GLN A 84 22.007 -0.617 -31.782 1.00 0.00 H new ATOM 0 HG2 GLN A 84 20.070 -1.195 -32.863 1.00 0.00 H new ATOM 0 HG3 GLN A 84 19.556 -1.863 -31.326 1.00 0.00 H new ATOM 0 HE21 GLN A 84 19.854 1.556 -32.626 1.00 0.00 H new ATOM 0 HE22 GLN A 84 18.214 2.013 -32.153 1.00 0.00 H new ATOM 1320 N TYR A 85 23.590 -0.774 -28.861 1.00 0.00 N ATOM 1321 CA TYR A 85 24.652 -0.030 -28.097 1.00 0.00 C ATOM 1322 C TYR A 85 24.759 1.414 -28.627 1.00 0.00 C ATOM 1323 O TYR A 85 24.366 1.698 -29.758 1.00 0.00 O ATOM 1324 CB TYR A 85 26.012 -0.729 -28.254 1.00 0.00 C ATOM 1325 CG TYR A 85 26.423 -1.393 -26.954 1.00 0.00 C ATOM 1326 CD1 TYR A 85 26.325 -0.703 -25.734 1.00 0.00 C ATOM 1327 CD2 TYR A 85 26.926 -2.700 -26.974 1.00 0.00 C ATOM 1328 CE1 TYR A 85 26.730 -1.320 -24.549 1.00 0.00 C ATOM 1329 CE2 TYR A 85 27.323 -3.317 -25.783 1.00 0.00 C ATOM 1330 CZ TYR A 85 27.227 -2.625 -24.572 1.00 0.00 C ATOM 1331 OH TYR A 85 27.631 -3.227 -23.401 1.00 0.00 O ATOM 0 H TYR A 85 23.875 -1.678 -29.237 1.00 0.00 H new ATOM 0 HA TYR A 85 24.377 -0.016 -27.042 1.00 0.00 H new ATOM 0 HB2 TYR A 85 25.955 -1.474 -29.047 1.00 0.00 H new ATOM 0 HB3 TYR A 85 26.768 -0.003 -28.553 1.00 0.00 H new ATOM 0 HD1 TYR A 85 25.936 0.304 -25.713 1.00 0.00 H new ATOM 0 HD2 TYR A 85 27.007 -3.232 -27.910 1.00 0.00 H new ATOM 0 HE1 TYR A 85 26.659 -0.787 -23.612 1.00 0.00 H new ATOM 0 HE2 TYR A 85 27.704 -4.328 -25.799 1.00 0.00 H new ATOM 0 HH TYR A 85 28.092 -2.571 -22.838 1.00 0.00 H new ATOM 1332 N ALA A 86 25.276 2.332 -27.838 1.00 0.00 N ATOM 1333 CA ALA A 86 25.389 3.745 -28.320 1.00 0.00 C ATOM 1334 C ALA A 86 26.560 3.859 -29.305 1.00 0.00 C ATOM 1335 O ALA A 86 27.429 2.989 -29.353 1.00 0.00 O ATOM 1336 CB ALA A 86 25.628 4.695 -27.139 1.00 0.00 C ATOM 0 H ALA A 86 25.620 2.164 -26.893 1.00 0.00 H new ATOM 0 HA ALA A 86 24.459 4.021 -28.816 1.00 0.00 H new ATOM 0 HB1 ALA A 86 25.708 5.718 -27.506 1.00 0.00 H new ATOM 0 HB2 ALA A 86 24.794 4.624 -26.440 1.00 0.00 H new ATOM 0 HB3 ALA A 86 26.552 4.418 -26.631 1.00 0.00 H new ATOM 1337 N LYS A 87 26.608 4.910 -30.095 1.00 0.00 N ATOM 1338 CA LYS A 87 27.735 5.055 -31.069 1.00 0.00 C ATOM 1339 C LYS A 87 28.995 5.525 -30.326 1.00 0.00 C ATOM 1340 O LYS A 87 30.096 5.048 -30.595 1.00 0.00 O ATOM 1341 CB LYS A 87 27.374 6.080 -32.152 1.00 0.00 C ATOM 1342 CG LYS A 87 26.206 5.552 -32.988 1.00 0.00 C ATOM 1343 CD LYS A 87 25.596 6.700 -33.795 1.00 0.00 C ATOM 1344 CE LYS A 87 24.388 6.186 -34.579 1.00 0.00 C ATOM 1345 NZ LYS A 87 24.819 5.784 -35.949 1.00 0.00 N ATOM 0 H LYS A 87 25.922 5.665 -30.106 1.00 0.00 H new ATOM 0 HA LYS A 87 27.920 4.090 -31.541 1.00 0.00 H new ATOM 0 HB2 LYS A 87 27.105 7.031 -31.692 1.00 0.00 H new ATOM 0 HB3 LYS A 87 28.237 6.268 -32.791 1.00 0.00 H new ATOM 0 HG2 LYS A 87 26.551 4.765 -33.659 1.00 0.00 H new ATOM 0 HG3 LYS A 87 25.451 5.109 -32.339 1.00 0.00 H new ATOM 0 HD2 LYS A 87 25.293 7.507 -33.128 1.00 0.00 H new ATOM 0 HD3 LYS A 87 26.338 7.113 -34.479 1.00 0.00 H new ATOM 0 HE2 LYS A 87 23.941 5.336 -34.063 1.00 0.00 H new ATOM 0 HE3 LYS A 87 23.624 6.961 -34.639 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 23.998 5.434 -36.483 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 25.227 6.605 -36.440 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 25.534 5.032 -35.881 1.00 0.00 H new ATOM 1346 N THR A 88 28.865 6.452 -29.400 1.00 0.00 N ATOM 1347 CA THR A 88 30.062 6.935 -28.661 1.00 0.00 C ATOM 1348 C THR A 88 29.897 6.656 -27.160 1.00 0.00 C ATOM 1349 O THR A 88 28.869 6.143 -26.723 1.00 0.00 O ATOM 1350 CB THR A 88 30.224 8.440 -28.883 1.00 0.00 C ATOM 1351 OG1 THR A 88 28.974 9.084 -28.675 1.00 0.00 O ATOM 1352 CG2 THR A 88 30.703 8.695 -30.310 1.00 0.00 C ATOM 0 H THR A 88 27.983 6.888 -29.131 1.00 0.00 H new ATOM 0 HA THR A 88 30.945 6.412 -29.028 1.00 0.00 H new ATOM 0 HB THR A 88 30.957 8.837 -28.181 1.00 0.00 H new ATOM 0 HG1 THR A 88 29.076 10.049 -28.815 1.00 0.00 H new ATOM 0 HG21 THR A 88 30.819 9.767 -30.469 1.00 0.00 H new ATOM 0 HG22 THR A 88 31.661 8.200 -30.466 1.00 0.00 H new ATOM 0 HG23 THR A 88 29.972 8.301 -31.015 1.00 0.00 H new ATOM 1353 N ASP A 89 30.889 6.983 -26.358 1.00 0.00 N ATOM 1354 CA ASP A 89 30.773 6.731 -24.890 1.00 0.00 C ATOM 1355 C ASP A 89 30.112 7.944 -24.212 1.00 0.00 C ATOM 1356 O ASP A 89 29.686 8.882 -24.883 1.00 0.00 O ATOM 1357 CB ASP A 89 32.172 6.494 -24.300 1.00 0.00 C ATOM 1358 CG ASP A 89 33.023 7.762 -24.444 1.00 0.00 C ATOM 1359 OD1 ASP A 89 32.856 8.658 -23.632 1.00 0.00 O ATOM 1360 OD2 ASP A 89 33.824 7.812 -25.362 1.00 0.00 O ATOM 0 H ASP A 89 31.765 7.410 -26.658 1.00 0.00 H new ATOM 0 HA ASP A 89 30.158 5.848 -24.716 1.00 0.00 H new ATOM 0 HB2 ASP A 89 32.090 6.218 -23.249 1.00 0.00 H new ATOM 0 HB3 ASP A 89 32.655 5.662 -24.811 1.00 0.00 H new ATOM 1361 N SER A 90 30.018 7.952 -22.899 1.00 0.00 N ATOM 1362 CA SER A 90 29.383 9.116 -22.207 1.00 0.00 C ATOM 1363 C SER A 90 30.456 10.167 -21.889 1.00 0.00 C ATOM 1364 O SER A 90 31.632 9.840 -21.743 1.00 0.00 O ATOM 1365 CB SER A 90 28.721 8.655 -20.903 1.00 0.00 C ATOM 1366 OG SER A 90 27.434 9.250 -20.793 1.00 0.00 O ATOM 0 H SER A 90 30.351 7.209 -22.285 1.00 0.00 H new ATOM 0 HA SER A 90 28.624 9.548 -22.859 1.00 0.00 H new ATOM 0 HB2 SER A 90 28.634 7.569 -20.890 1.00 0.00 H new ATOM 0 HB3 SER A 90 29.338 8.936 -20.049 1.00 0.00 H new ATOM 0 HG SER A 90 27.276 9.519 -19.864 1.00 0.00 H new ATOM 1367 N ASP A 91 30.080 11.423 -21.770 1.00 0.00 N ATOM 1368 CA ASP A 91 31.094 12.471 -21.454 1.00 0.00 C ATOM 1369 C ASP A 91 31.466 12.401 -19.970 1.00 0.00 C ATOM 1370 O ASP A 91 32.611 12.664 -19.606 1.00 0.00 O ATOM 1371 CB ASP A 91 30.549 13.866 -21.787 1.00 0.00 C ATOM 1372 CG ASP A 91 31.046 14.292 -23.171 1.00 0.00 C ATOM 1373 OD1 ASP A 91 30.748 13.593 -24.126 1.00 0.00 O ATOM 1374 OD2 ASP A 91 31.715 15.308 -23.251 1.00 0.00 O ATOM 0 H ASP A 91 29.123 11.760 -21.878 1.00 0.00 H new ATOM 0 HA ASP A 91 31.982 12.290 -22.060 1.00 0.00 H new ATOM 0 HB2 ASP A 91 29.459 13.856 -21.767 1.00 0.00 H new ATOM 0 HB3 ASP A 91 30.875 14.584 -21.035 1.00 0.00 H new ATOM 1375 N ILE A 92 30.544 12.041 -19.097 1.00 0.00 N ATOM 1376 CA ILE A 92 30.913 11.949 -17.653 1.00 0.00 C ATOM 1377 C ILE A 92 32.103 10.976 -17.485 1.00 0.00 C ATOM 1378 O ILE A 92 32.888 11.122 -16.551 1.00 0.00 O ATOM 1379 CB ILE A 92 29.715 11.483 -16.810 1.00 0.00 C ATOM 1380 CG1 ILE A 92 29.126 10.181 -17.381 1.00 0.00 C ATOM 1381 CG2 ILE A 92 28.642 12.576 -16.814 1.00 0.00 C ATOM 1382 CD1 ILE A 92 29.360 9.031 -16.396 1.00 0.00 C ATOM 0 H ILE A 92 29.575 11.813 -19.322 1.00 0.00 H new ATOM 0 HA ILE A 92 31.205 12.938 -17.301 1.00 0.00 H new ATOM 0 HB ILE A 92 30.051 11.294 -15.790 1.00 0.00 H new ATOM 0 HG12 ILE A 92 28.059 10.304 -17.565 1.00 0.00 H new ATOM 0 HG13 ILE A 92 29.590 9.951 -18.340 1.00 0.00 H new ATOM 0 HG21 ILE A 92 27.789 12.251 -16.218 1.00 0.00 H new ATOM 0 HG22 ILE A 92 29.054 13.492 -16.390 1.00 0.00 H new ATOM 0 HG23 ILE A 92 28.318 12.764 -17.838 1.00 0.00 H new ATOM 0 HD11 ILE A 92 28.941 8.111 -16.804 1.00 0.00 H new ATOM 0 HD12 ILE A 92 30.430 8.902 -16.235 1.00 0.00 H new ATOM 0 HD13 ILE A 92 28.875 9.260 -15.447 1.00 0.00 H new ATOM 1383 N ILE A 93 32.294 10.012 -18.381 1.00 0.00 N ATOM 1384 CA ILE A 93 33.479 9.104 -18.234 1.00 0.00 C ATOM 1385 C ILE A 93 34.729 9.941 -18.518 1.00 0.00 C ATOM 1386 O ILE A 93 35.717 9.875 -17.797 1.00 0.00 O ATOM 1387 CB ILE A 93 33.461 7.922 -19.236 1.00 0.00 C ATOM 1388 CG1 ILE A 93 32.040 7.442 -19.608 1.00 0.00 C ATOM 1389 CG2 ILE A 93 34.225 6.748 -18.625 1.00 0.00 C ATOM 1390 CD1 ILE A 93 31.119 7.422 -18.390 1.00 0.00 C ATOM 0 H ILE A 93 31.692 9.826 -19.183 1.00 0.00 H new ATOM 0 HA ILE A 93 33.463 8.683 -17.229 1.00 0.00 H new ATOM 0 HB ILE A 93 33.926 8.282 -20.154 1.00 0.00 H new ATOM 0 HG12 ILE A 93 31.621 8.098 -20.371 1.00 0.00 H new ATOM 0 HG13 ILE A 93 32.094 6.443 -20.041 1.00 0.00 H new ATOM 0 HG21 ILE A 93 34.220 5.909 -19.321 1.00 0.00 H new ATOM 0 HG22 ILE A 93 35.254 7.048 -18.426 1.00 0.00 H new ATOM 0 HG23 ILE A 93 33.747 6.449 -17.692 1.00 0.00 H new ATOM 0 HD11 ILE A 93 30.128 7.080 -18.689 1.00 0.00 H new ATOM 0 HD12 ILE A 93 31.525 6.746 -17.638 1.00 0.00 H new ATOM 0 HD13 ILE A 93 31.045 8.426 -17.973 1.00 0.00 H new