USER MOD reduce.3.24.130724 H: found=0, std=0, add=736, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 0 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 12 TYR OH : rot 165:sc=-0.00548 USER MOD Set 1.2: A 50 MET CE :methyl -166:sc= -0.904 (180deg=-1.5) USER MOD Set 1.3: A 53 GLN : amide:sc= -3.06 K(o=-4,f=-5.1!) USER MOD Set 2.1: A 28 SER OG : rot 126:sc= 0.0318 USER MOD Set 2.2: A 77 TYR OH : rot -158:sc= -3.22! USER MOD Set 3.1: A 14 ASN : amide:sc= -0.515 K(o=-0.82,f=-2.7!) USER MOD Set 3.2: A 84 GLN : amide:sc= -0.306 X(o=-0.82,f=-0.44) USER MOD Set 4.1: A 10 THR OG1 : rot 90:sc= 1.02 USER MOD Set 4.2: A 90 SER OG : rot 111:sc= 0.461! USER MOD Single : A 8 ASN : amide:sc=-0.00692 K(o=-0.0069,f=-1.4) USER MOD Single : A 9 HIS : no HE2:sc= -1.8! C(o=-1.8!,f=-5.1!) USER MOD Single : A 15 ASN : amide:sc= -1.31 K(o=-1.3,f=-3.9!) USER MOD Single : A 17 ASN : amide:sc= -4.68 K(o=-4.7,f=-10!) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ -166:sc= -0.54 (180deg=-0.902) USER MOD Single : A 30 HIS : no HD1:sc= -1.43 X(o=-1.4,f=-1.7!) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 38 GLN : amide:sc= 0 X(o=0,f=-0.044) USER MOD Single : A 45 SER OG : rot -150:sc= -0.292 USER MOD Single : A 47 SER OG : rot 180:sc= 0.0785 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= -0.0232 USER MOD Single : A 63 SER OG : rot 180:sc= 0.0304 USER MOD Single : A 65 THR OG1 : rot 180:sc= -0.0314 USER MOD Single : A 66 ASN : amide:sc= -0.0693 X(o=-0.069,f=0) USER MOD Single : A 70 SER OG : rot 150:sc= -0.218 USER MOD Single : A 71 MET CE :methyl -138:sc= -1.17 (180deg=-3.17!) USER MOD Single : A 72 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 85 TYR OH : rot 173:sc= -3.03! 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 30.577 -3.835 -27.536 1.00 0.00 N ATOM 683 CA PRO A 7 29.821 -3.258 -26.410 1.00 0.00 C ATOM 684 C PRO A 7 30.371 -1.868 -26.050 1.00 0.00 C ATOM 685 O PRO A 7 31.472 -1.746 -25.516 1.00 0.00 O ATOM 686 CB PRO A 7 30.056 -4.249 -25.267 1.00 0.00 C ATOM 687 CG PRO A 7 31.359 -5.010 -25.608 1.00 0.00 C ATOM 688 CD PRO A 7 31.571 -4.860 -27.126 1.00 0.00 C ATOM 0 HA PRO A 7 28.763 -3.119 -26.634 1.00 0.00 H new ATOM 0 HB2 PRO A 7 30.149 -3.728 -24.314 1.00 0.00 H new ATOM 0 HB3 PRO A 7 29.217 -4.939 -25.173 1.00 0.00 H new ATOM 0 HG2 PRO A 7 32.204 -4.598 -25.056 1.00 0.00 H new ATOM 0 HG3 PRO A 7 31.278 -6.061 -25.330 1.00 0.00 H new ATOM 0 HD2 PRO A 7 32.588 -4.542 -27.356 1.00 0.00 H new ATOM 0 HD3 PRO A 7 31.407 -5.804 -27.646 1.00 0.00 H new ATOM 689 N ASN A 8 29.631 -0.815 -26.328 1.00 0.00 N ATOM 690 CA ASN A 8 30.130 0.553 -25.991 1.00 0.00 C ATOM 691 C ASN A 8 29.843 0.850 -24.511 1.00 0.00 C ATOM 692 O ASN A 8 28.972 0.231 -23.903 1.00 0.00 O ATOM 693 CB ASN A 8 29.430 1.602 -26.863 1.00 0.00 C ATOM 694 CG ASN A 8 30.037 1.586 -28.272 1.00 0.00 C ATOM 695 OD1 ASN A 8 30.223 0.520 -28.856 1.00 0.00 O ATOM 696 ND2 ASN A 8 30.358 2.713 -28.859 1.00 0.00 N ATOM 0 H ASN A 8 28.712 -0.847 -26.770 1.00 0.00 H new ATOM 0 HA ASN A 8 31.203 0.595 -26.177 1.00 0.00 H new ATOM 0 HB2 ASN A 8 28.361 1.393 -26.914 1.00 0.00 H new ATOM 0 HB3 ASN A 8 29.541 2.591 -26.419 1.00 0.00 H new ATOM 0 HD21 ASN A 8 30.760 2.703 -29.796 1.00 0.00 H new ATOM 0 HD22 ASN A 8 30.206 3.600 -28.379 1.00 0.00 H new ATOM 697 N HIS A 9 30.557 1.782 -23.916 1.00 0.00 N ATOM 698 CA HIS A 9 30.309 2.099 -22.470 1.00 0.00 C ATOM 699 C HIS A 9 28.836 2.492 -22.264 1.00 0.00 C ATOM 700 O HIS A 9 28.234 2.150 -21.248 1.00 0.00 O ATOM 701 CB HIS A 9 31.204 3.264 -22.023 1.00 0.00 C ATOM 702 CG HIS A 9 31.492 3.141 -20.551 1.00 0.00 C ATOM 703 ND1 HIS A 9 32.784 3.092 -20.054 1.00 0.00 N ATOM 704 CD2 HIS A 9 30.665 3.053 -19.459 1.00 0.00 C ATOM 705 CE1 HIS A 9 32.699 2.980 -18.715 1.00 0.00 C ATOM 706 NE2 HIS A 9 31.429 2.952 -18.300 1.00 0.00 N ATOM 0 H HIS A 9 31.292 2.330 -24.363 1.00 0.00 H new ATOM 0 HA HIS A 9 30.540 1.214 -21.877 1.00 0.00 H new ATOM 0 HB2 HIS A 9 32.136 3.258 -22.588 1.00 0.00 H new ATOM 0 HB3 HIS A 9 30.712 4.214 -22.230 1.00 0.00 H new ATOM 0 HD1 HIS A 9 33.643 3.133 -20.602 1.00 0.00 H new ATOM 0 HD2 HIS A 9 29.586 3.061 -19.494 1.00 0.00 H new ATOM 0 HE1 HIS A 9 33.553 2.920 -18.057 1.00 0.00 H new ATOM 707 N THR A 10 28.242 3.212 -23.193 1.00 0.00 N ATOM 708 CA THR A 10 26.818 3.624 -23.019 1.00 0.00 C ATOM 709 C THR A 10 25.911 2.811 -23.958 1.00 0.00 C ATOM 710 O THR A 10 26.339 2.363 -25.021 1.00 0.00 O ATOM 711 CB THR A 10 26.691 5.118 -23.344 1.00 0.00 C ATOM 712 OG1 THR A 10 27.521 5.863 -22.464 1.00 0.00 O ATOM 713 CG2 THR A 10 25.238 5.570 -23.178 1.00 0.00 C ATOM 0 H THR A 10 28.683 3.527 -24.057 1.00 0.00 H new ATOM 0 HA THR A 10 26.510 3.439 -21.990 1.00 0.00 H new ATOM 0 HB THR A 10 27.001 5.287 -24.375 1.00 0.00 H new ATOM 0 HG1 THR A 10 28.412 5.963 -22.860 1.00 0.00 H new ATOM 0 HG21 THR A 10 25.158 6.632 -23.411 1.00 0.00 H new ATOM 0 HG22 THR A 10 24.600 5.001 -23.855 1.00 0.00 H new ATOM 0 HG23 THR A 10 24.919 5.399 -22.150 1.00 0.00 H new ATOM 714 N ILE A 11 24.657 2.625 -23.597 1.00 0.00 N ATOM 715 CA ILE A 11 23.728 1.862 -24.475 1.00 0.00 C ATOM 716 C ILE A 11 22.650 2.821 -25.009 1.00 0.00 C ATOM 717 O ILE A 11 22.406 3.882 -24.430 1.00 0.00 O ATOM 718 CB ILE A 11 23.065 0.729 -23.683 1.00 0.00 C ATOM 719 CG1 ILE A 11 22.284 1.307 -22.490 1.00 0.00 C ATOM 720 CG2 ILE A 11 24.144 -0.230 -23.176 1.00 0.00 C ATOM 721 CD1 ILE A 11 20.887 0.685 -22.437 1.00 0.00 C ATOM 0 H ILE A 11 24.245 2.972 -22.731 1.00 0.00 H new ATOM 0 HA ILE A 11 24.285 1.428 -25.305 1.00 0.00 H new ATOM 0 HB ILE A 11 22.372 0.193 -24.332 1.00 0.00 H new ATOM 0 HG12 ILE A 11 22.818 1.105 -21.561 1.00 0.00 H new ATOM 0 HG13 ILE A 11 22.207 2.390 -22.584 1.00 0.00 H new ATOM 0 HG21 ILE A 11 23.677 -1.038 -22.612 1.00 0.00 H new ATOM 0 HG22 ILE A 11 24.688 -0.647 -24.024 1.00 0.00 H new ATOM 0 HG23 ILE A 11 24.837 0.310 -22.531 1.00 0.00 H new ATOM 0 HD11 ILE A 11 20.337 1.097 -21.591 1.00 0.00 H new ATOM 0 HD12 ILE A 11 20.353 0.910 -23.361 1.00 0.00 H new ATOM 0 HD13 ILE A 11 20.974 -0.395 -22.322 1.00 0.00 H new ATOM 722 N TYR A 12 22.006 2.482 -26.104 1.00 0.00 N ATOM 723 CA TYR A 12 20.965 3.385 -26.671 1.00 0.00 C ATOM 724 C TYR A 12 19.643 2.613 -26.843 1.00 0.00 C ATOM 725 O TYR A 12 19.641 1.407 -27.074 1.00 0.00 O ATOM 726 CB TYR A 12 21.466 3.901 -28.032 1.00 0.00 C ATOM 727 CG TYR A 12 20.369 4.641 -28.767 1.00 0.00 C ATOM 728 CD1 TYR A 12 19.954 5.902 -28.329 1.00 0.00 C ATOM 729 CD2 TYR A 12 19.773 4.059 -29.892 1.00 0.00 C ATOM 730 CE1 TYR A 12 18.942 6.583 -29.016 1.00 0.00 C ATOM 731 CE2 TYR A 12 18.762 4.737 -30.579 1.00 0.00 C ATOM 732 CZ TYR A 12 18.344 6.002 -30.142 1.00 0.00 C ATOM 733 OH TYR A 12 17.343 6.673 -30.818 1.00 0.00 O ATOM 0 H TYR A 12 22.160 1.619 -26.625 1.00 0.00 H new ATOM 0 HA TYR A 12 20.784 4.226 -26.001 1.00 0.00 H new ATOM 0 HB2 TYR A 12 22.319 4.563 -27.883 1.00 0.00 H new ATOM 0 HB3 TYR A 12 21.814 3.064 -28.637 1.00 0.00 H new ATOM 0 HD1 TYR A 12 20.414 6.351 -27.461 1.00 0.00 H new ATOM 0 HD2 TYR A 12 20.095 3.085 -30.230 1.00 0.00 H new ATOM 0 HE1 TYR A 12 18.622 7.557 -28.678 1.00 0.00 H new ATOM 0 HE2 TYR A 12 18.303 4.286 -31.446 1.00 0.00 H new ATOM 0 HH TYR A 12 17.203 6.256 -31.694 1.00 0.00 H new ATOM 734 N ILE A 13 18.519 3.290 -26.741 1.00 0.00 N ATOM 735 CA ILE A 13 17.209 2.596 -26.909 1.00 0.00 C ATOM 736 C ILE A 13 16.331 3.412 -27.869 1.00 0.00 C ATOM 737 O ILE A 13 16.332 4.642 -27.826 1.00 0.00 O ATOM 738 CB ILE A 13 16.498 2.488 -25.556 1.00 0.00 C ATOM 739 CG1 ILE A 13 17.420 1.805 -24.528 1.00 0.00 C ATOM 740 CG2 ILE A 13 15.217 1.668 -25.726 1.00 0.00 C ATOM 741 CD1 ILE A 13 17.594 2.716 -23.311 1.00 0.00 C ATOM 0 H ILE A 13 18.458 4.290 -26.549 1.00 0.00 H new ATOM 0 HA ILE A 13 17.379 1.596 -27.309 1.00 0.00 H new ATOM 0 HB ILE A 13 16.250 3.487 -25.197 1.00 0.00 H new ATOM 0 HG12 ILE A 13 16.995 0.849 -24.222 1.00 0.00 H new ATOM 0 HG13 ILE A 13 18.390 1.593 -24.978 1.00 0.00 H new ATOM 0 HG21 ILE A 13 14.706 1.588 -24.766 1.00 0.00 H new ATOM 0 HG22 ILE A 13 14.562 2.161 -26.445 1.00 0.00 H new ATOM 0 HG23 ILE A 13 15.469 0.671 -26.088 1.00 0.00 H new ATOM 0 HD11 ILE A 13 18.246 2.232 -22.584 1.00 0.00 H new ATOM 0 HD12 ILE A 13 18.038 3.661 -23.624 1.00 0.00 H new ATOM 0 HD13 ILE A 13 16.622 2.905 -22.856 1.00 0.00 H new ATOM 742 N ASN A 14 15.579 2.765 -28.732 1.00 0.00 N ATOM 743 CA ASN A 14 14.710 3.526 -29.676 1.00 0.00 C ATOM 744 C ASN A 14 13.382 2.777 -29.870 1.00 0.00 C ATOM 745 O ASN A 14 13.143 1.749 -29.237 1.00 0.00 O ATOM 746 CB ASN A 14 15.424 3.682 -31.025 1.00 0.00 C ATOM 747 CG ASN A 14 15.678 2.301 -31.648 1.00 0.00 C ATOM 748 OD1 ASN A 14 16.276 1.433 -31.018 1.00 0.00 O ATOM 749 ND2 ASN A 14 15.255 2.047 -32.864 1.00 0.00 N ATOM 0 H ASN A 14 15.533 1.750 -28.820 1.00 0.00 H new ATOM 0 HA ASN A 14 14.507 4.515 -29.265 1.00 0.00 H new ATOM 0 HB2 ASN A 14 14.818 4.288 -31.699 1.00 0.00 H new ATOM 0 HB3 ASN A 14 16.369 4.207 -30.887 1.00 0.00 H new ATOM 0 HD21 ASN A 14 15.423 1.132 -33.282 1.00 0.00 H new ATOM 0 HD22 ASN A 14 14.758 2.765 -33.391 1.00 0.00 H new ATOM 750 N ASN A 15 12.509 3.262 -30.728 1.00 0.00 N ATOM 751 CA ASN A 15 11.206 2.566 -30.940 1.00 0.00 C ATOM 752 C ASN A 15 10.420 2.549 -29.622 1.00 0.00 C ATOM 753 O ASN A 15 9.841 1.531 -29.245 1.00 0.00 O ATOM 754 CB ASN A 15 11.458 1.130 -31.407 1.00 0.00 C ATOM 755 CG ASN A 15 10.158 0.531 -31.955 1.00 0.00 C ATOM 756 OD1 ASN A 15 9.069 0.938 -31.554 1.00 0.00 O ATOM 757 ND2 ASN A 15 10.204 -0.420 -32.856 1.00 0.00 N ATOM 0 H ASN A 15 12.647 4.105 -31.285 1.00 0.00 H new ATOM 0 HA ASN A 15 10.631 3.094 -31.701 1.00 0.00 H new ATOM 0 HB2 ASN A 15 12.229 1.118 -32.178 1.00 0.00 H new ATOM 0 HB3 ASN A 15 11.827 0.527 -30.577 1.00 0.00 H new ATOM 0 HD21 ASN A 15 9.339 -0.819 -33.221 1.00 0.00 H new ATOM 0 HD22 ASN A 15 11.105 -0.761 -33.192 1.00 0.00 H new ATOM 758 N LEU A 16 10.388 3.653 -28.905 1.00 0.00 N ATOM 759 CA LEU A 16 9.640 3.684 -27.614 1.00 0.00 C ATOM 760 C LEU A 16 8.276 4.359 -27.834 1.00 0.00 C ATOM 761 O LEU A 16 7.891 4.639 -28.968 1.00 0.00 O ATOM 762 CB LEU A 16 10.444 4.477 -26.576 1.00 0.00 C ATOM 763 CG LEU A 16 11.880 3.949 -26.521 1.00 0.00 C ATOM 764 CD1 LEU A 16 12.742 4.897 -25.685 1.00 0.00 C ATOM 765 CD2 LEU A 16 11.886 2.559 -25.882 1.00 0.00 C ATOM 0 H LEU A 16 10.847 4.527 -29.162 1.00 0.00 H new ATOM 0 HA LEU A 16 9.489 2.666 -27.253 1.00 0.00 H new ATOM 0 HB2 LEU A 16 10.445 5.536 -26.835 1.00 0.00 H new ATOM 0 HB3 LEU A 16 9.976 4.389 -25.595 1.00 0.00 H new ATOM 0 HG LEU A 16 12.284 3.888 -27.532 1.00 0.00 H new ATOM 0 HD11 LEU A 16 13.764 4.521 -25.646 1.00 0.00 H new ATOM 0 HD12 LEU A 16 12.737 5.888 -26.138 1.00 0.00 H new ATOM 0 HD13 LEU A 16 12.339 4.959 -24.674 1.00 0.00 H new ATOM 0 HD21 LEU A 16 12.908 2.181 -25.842 1.00 0.00 H new ATOM 0 HD22 LEU A 16 11.482 2.621 -24.871 1.00 0.00 H new ATOM 0 HD23 LEU A 16 11.272 1.882 -26.477 1.00 0.00 H new ATOM 766 N ASN A 17 7.537 4.635 -26.779 1.00 0.00 N ATOM 767 CA ASN A 17 6.208 5.297 -26.955 1.00 0.00 C ATOM 768 C ASN A 17 6.414 6.810 -27.084 1.00 0.00 C ATOM 769 O ASN A 17 7.385 7.360 -26.566 1.00 0.00 O ATOM 770 CB ASN A 17 5.306 5.004 -25.749 1.00 0.00 C ATOM 771 CG ASN A 17 4.477 3.744 -26.023 1.00 0.00 C ATOM 772 OD1 ASN A 17 4.866 2.911 -26.840 1.00 0.00 O ATOM 773 ND2 ASN A 17 3.348 3.551 -25.386 1.00 0.00 N ATOM 0 H ASN A 17 7.798 4.431 -25.814 1.00 0.00 H new ATOM 0 HA ASN A 17 5.730 4.909 -27.855 1.00 0.00 H new ATOM 0 HB2 ASN A 17 5.912 4.866 -24.854 1.00 0.00 H new ATOM 0 HB3 ASN A 17 4.647 5.851 -25.560 1.00 0.00 H new ATOM 0 HD21 ASN A 17 2.796 2.713 -25.569 1.00 0.00 H new ATOM 0 HD22 ASN A 17 3.021 4.239 -24.707 1.00 0.00 H new ATOM 774 N GLU A 18 5.529 7.499 -27.769 1.00 0.00 N ATOM 775 CA GLU A 18 5.695 8.973 -27.926 1.00 0.00 C ATOM 776 C GLU A 18 4.767 9.723 -26.952 1.00 0.00 C ATOM 777 O GLU A 18 4.247 10.788 -27.281 1.00 0.00 O ATOM 778 CB GLU A 18 5.347 9.364 -29.365 1.00 0.00 C ATOM 779 CG GLU A 18 6.510 9.001 -30.298 1.00 0.00 C ATOM 780 CD GLU A 18 5.969 8.283 -31.537 1.00 0.00 C ATOM 781 OE1 GLU A 18 5.345 7.248 -31.372 1.00 0.00 O ATOM 782 OE2 GLU A 18 6.189 8.780 -32.629 1.00 0.00 O ATOM 0 H GLU A 18 4.705 7.103 -28.222 1.00 0.00 H new ATOM 0 HA GLU A 18 6.728 9.243 -27.704 1.00 0.00 H new ATOM 0 HB2 GLU A 18 4.440 8.849 -29.682 1.00 0.00 H new ATOM 0 HB3 GLU A 18 5.143 10.433 -29.422 1.00 0.00 H new ATOM 0 HG2 GLU A 18 7.048 9.902 -30.593 1.00 0.00 H new ATOM 0 HG3 GLU A 18 7.222 8.361 -29.776 1.00 0.00 H new ATOM 783 N LYS A 19 4.548 9.203 -25.762 1.00 0.00 N ATOM 784 CA LYS A 19 3.660 9.909 -24.794 1.00 0.00 C ATOM 785 C LYS A 19 4.090 9.588 -23.349 1.00 0.00 C ATOM 786 O LYS A 19 3.252 9.463 -22.458 1.00 0.00 O ATOM 787 CB LYS A 19 2.218 9.451 -25.015 1.00 0.00 C ATOM 788 CG LYS A 19 2.121 7.935 -24.823 1.00 0.00 C ATOM 789 CD LYS A 19 0.862 7.412 -25.517 1.00 0.00 C ATOM 790 CE LYS A 19 1.067 7.435 -27.033 1.00 0.00 C ATOM 791 NZ LYS A 19 0.111 6.490 -27.678 1.00 0.00 N ATOM 0 H LYS A 19 4.946 8.326 -25.427 1.00 0.00 H new ATOM 0 HA LYS A 19 3.735 10.985 -24.952 1.00 0.00 H new ATOM 0 HB2 LYS A 19 1.554 9.959 -24.315 1.00 0.00 H new ATOM 0 HB3 LYS A 19 1.890 9.722 -26.019 1.00 0.00 H new ATOM 0 HG2 LYS A 19 3.005 7.448 -25.235 1.00 0.00 H new ATOM 0 HG3 LYS A 19 2.090 7.694 -23.761 1.00 0.00 H new ATOM 0 HD2 LYS A 19 0.646 6.397 -25.184 1.00 0.00 H new ATOM 0 HD3 LYS A 19 0.003 8.026 -25.246 1.00 0.00 H new ATOM 0 HE2 LYS A 19 0.912 8.444 -27.416 1.00 0.00 H new ATOM 0 HE3 LYS A 19 2.092 7.155 -27.276 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 0.250 6.505 -28.709 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 0.279 5.528 -27.320 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -0.864 6.777 -27.456 1.00 0.00 H new ATOM 792 N ILE A 20 5.376 9.446 -23.093 1.00 0.00 N ATOM 793 CA ILE A 20 5.830 9.130 -21.708 1.00 0.00 C ATOM 794 C ILE A 20 6.177 10.420 -20.962 1.00 0.00 C ATOM 795 O ILE A 20 6.535 11.427 -21.571 1.00 0.00 O ATOM 796 CB ILE A 20 7.080 8.235 -21.748 1.00 0.00 C ATOM 797 CG1 ILE A 20 6.903 7.102 -22.776 1.00 0.00 C ATOM 798 CG2 ILE A 20 7.311 7.633 -20.360 1.00 0.00 C ATOM 799 CD1 ILE A 20 5.636 6.306 -22.465 1.00 0.00 C ATOM 0 H ILE A 20 6.121 9.536 -23.784 1.00 0.00 H new ATOM 0 HA ILE A 20 5.022 8.610 -21.194 1.00 0.00 H new ATOM 0 HB ILE A 20 7.938 8.839 -22.041 1.00 0.00 H new ATOM 0 HG12 ILE A 20 6.843 7.518 -23.781 1.00 0.00 H new ATOM 0 HG13 ILE A 20 7.771 6.443 -22.755 1.00 0.00 H new ATOM 0 HG21 ILE A 20 8.196 6.997 -20.382 1.00 0.00 H new ATOM 0 HG22 ILE A 20 7.458 8.434 -19.636 1.00 0.00 H new ATOM 0 HG23 ILE A 20 6.444 7.038 -20.073 1.00 0.00 H new ATOM 0 HD11 ILE A 20 5.519 5.507 -23.197 1.00 0.00 H new ATOM 0 HD12 ILE A 20 5.713 5.875 -21.467 1.00 0.00 H new ATOM 0 HD13 ILE A 20 4.771 6.967 -22.509 1.00 0.00 H new ATOM 800 N LYS A 21 6.096 10.407 -19.651 1.00 0.00 N ATOM 801 CA LYS A 21 6.442 11.634 -18.879 1.00 0.00 C ATOM 802 C LYS A 21 7.962 11.671 -18.671 1.00 0.00 C ATOM 803 O LYS A 21 8.677 10.786 -19.138 1.00 0.00 O ATOM 804 CB LYS A 21 5.737 11.619 -17.516 1.00 0.00 C ATOM 805 CG LYS A 21 4.443 12.431 -17.600 1.00 0.00 C ATOM 806 CD LYS A 21 4.105 13.000 -16.221 1.00 0.00 C ATOM 807 CE LYS A 21 2.587 13.017 -16.029 1.00 0.00 C ATOM 808 NZ LYS A 21 2.162 11.775 -15.323 1.00 0.00 N ATOM 0 H LYS A 21 5.807 9.605 -19.091 1.00 0.00 H new ATOM 0 HA LYS A 21 6.116 12.516 -19.430 1.00 0.00 H new ATOM 0 HB2 LYS A 21 5.516 10.593 -17.220 1.00 0.00 H new ATOM 0 HB3 LYS A 21 6.392 12.037 -16.752 1.00 0.00 H new ATOM 0 HG2 LYS A 21 4.556 13.241 -18.321 1.00 0.00 H new ATOM 0 HG3 LYS A 21 3.628 11.800 -17.954 1.00 0.00 H new ATOM 0 HD2 LYS A 21 4.573 12.397 -15.443 1.00 0.00 H new ATOM 0 HD3 LYS A 21 4.505 14.009 -16.125 1.00 0.00 H new ATOM 0 HE2 LYS A 21 2.292 13.894 -15.453 1.00 0.00 H new ATOM 0 HE3 LYS A 21 2.088 13.088 -16.996 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 1.130 11.786 -15.192 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 2.431 10.945 -15.889 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 2.628 11.727 -14.395 1.00 0.00 H new ATOM 809 N LYS A 22 8.477 12.663 -17.981 1.00 0.00 N ATOM 810 CA LYS A 22 9.955 12.716 -17.759 1.00 0.00 C ATOM 811 C LYS A 22 10.302 11.911 -16.504 1.00 0.00 C ATOM 812 O LYS A 22 11.283 11.170 -16.486 1.00 0.00 O ATOM 813 CB LYS A 22 10.413 14.167 -17.583 1.00 0.00 C ATOM 814 CG LYS A 22 10.256 14.917 -18.907 1.00 0.00 C ATOM 815 CD LYS A 22 11.236 16.093 -18.948 1.00 0.00 C ATOM 816 CE LYS A 22 11.757 16.277 -20.374 1.00 0.00 C ATOM 817 NZ LYS A 22 13.004 15.479 -20.554 1.00 0.00 N ATOM 0 H LYS A 22 7.944 13.428 -17.568 1.00 0.00 H new ATOM 0 HA LYS A 22 10.464 12.291 -18.624 1.00 0.00 H new ATOM 0 HB2 LYS A 22 9.824 14.653 -16.805 1.00 0.00 H new ATOM 0 HB3 LYS A 22 11.453 14.194 -17.259 1.00 0.00 H new ATOM 0 HG2 LYS A 22 10.445 14.244 -19.743 1.00 0.00 H new ATOM 0 HG3 LYS A 22 9.233 15.278 -19.013 1.00 0.00 H new ATOM 0 HD2 LYS A 22 10.741 17.004 -18.610 1.00 0.00 H new ATOM 0 HD3 LYS A 22 12.067 15.911 -18.267 1.00 0.00 H new ATOM 0 HE2 LYS A 22 11.002 15.959 -21.093 1.00 0.00 H new ATOM 0 HE3 LYS A 22 11.956 17.331 -20.567 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 13.359 15.604 -21.524 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 13.724 15.803 -19.877 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 12.800 14.473 -20.387 1.00 0.00 H new ATOM 818 N ASP A 23 9.508 12.013 -15.464 1.00 0.00 N ATOM 819 CA ASP A 23 9.793 11.215 -14.237 1.00 0.00 C ATOM 820 C ASP A 23 9.390 9.753 -14.493 1.00 0.00 C ATOM 821 O ASP A 23 9.925 8.840 -13.867 1.00 0.00 O ATOM 822 CB ASP A 23 8.998 11.763 -13.044 1.00 0.00 C ATOM 823 CG ASP A 23 9.888 12.693 -12.217 1.00 0.00 C ATOM 824 OD1 ASP A 23 10.805 12.195 -11.585 1.00 0.00 O ATOM 825 OD2 ASP A 23 9.637 13.886 -12.229 1.00 0.00 O ATOM 0 H ASP A 23 8.683 12.610 -15.415 1.00 0.00 H new ATOM 0 HA ASP A 23 10.856 11.279 -14.005 1.00 0.00 H new ATOM 0 HB2 ASP A 23 8.119 12.303 -13.397 1.00 0.00 H new ATOM 0 HB3 ASP A 23 8.639 10.941 -12.425 1.00 0.00 H new ATOM 826 N GLU A 24 8.455 9.501 -15.395 1.00 0.00 N ATOM 827 CA GLU A 24 8.044 8.092 -15.659 1.00 0.00 C ATOM 828 C GLU A 24 9.110 7.384 -16.502 1.00 0.00 C ATOM 829 O GLU A 24 9.481 6.250 -16.207 1.00 0.00 O ATOM 830 CB GLU A 24 6.700 8.056 -16.401 1.00 0.00 C ATOM 831 CG GLU A 24 5.591 8.556 -15.473 1.00 0.00 C ATOM 832 CD GLU A 24 4.228 8.286 -16.111 1.00 0.00 C ATOM 833 OE1 GLU A 24 3.760 9.140 -16.846 1.00 0.00 O ATOM 834 OE2 GLU A 24 3.675 7.229 -15.855 1.00 0.00 O ATOM 0 H GLU A 24 7.970 10.208 -15.948 1.00 0.00 H new ATOM 0 HA GLU A 24 7.937 7.579 -14.703 1.00 0.00 H new ATOM 0 HB2 GLU A 24 6.749 8.678 -17.295 1.00 0.00 H new ATOM 0 HB3 GLU A 24 6.482 7.040 -16.731 1.00 0.00 H new ATOM 0 HG2 GLU A 24 5.657 8.055 -14.507 1.00 0.00 H new ATOM 0 HG3 GLU A 24 5.712 9.623 -15.287 1.00 0.00 H new ATOM 835 N LEU A 25 9.613 8.009 -17.547 1.00 0.00 N ATOM 836 CA LEU A 25 10.646 7.318 -18.385 1.00 0.00 C ATOM 837 C LEU A 25 11.960 7.151 -17.602 1.00 0.00 C ATOM 838 O LEU A 25 12.688 6.185 -17.818 1.00 0.00 O ATOM 839 CB LEU A 25 10.915 8.108 -19.669 1.00 0.00 C ATOM 840 CG LEU A 25 11.286 7.139 -20.792 1.00 0.00 C ATOM 841 CD1 LEU A 25 10.043 6.360 -21.232 1.00 0.00 C ATOM 842 CD2 LEU A 25 11.838 7.929 -21.980 1.00 0.00 C ATOM 0 H LEU A 25 9.358 8.949 -17.849 1.00 0.00 H new ATOM 0 HA LEU A 25 10.260 6.333 -18.645 1.00 0.00 H new ATOM 0 HB2 LEU A 25 10.032 8.683 -19.947 1.00 0.00 H new ATOM 0 HB3 LEU A 25 11.723 8.822 -19.508 1.00 0.00 H new ATOM 0 HG LEU A 25 12.041 6.440 -20.433 1.00 0.00 H new ATOM 0 HD11 LEU A 25 10.310 5.670 -22.032 1.00 0.00 H new ATOM 0 HD12 LEU A 25 9.647 5.798 -20.386 1.00 0.00 H new ATOM 0 HD13 LEU A 25 9.285 7.056 -21.591 1.00 0.00 H new ATOM 0 HD21 LEU A 25 12.104 7.241 -22.783 1.00 0.00 H new ATOM 0 HD22 LEU A 25 11.080 8.627 -22.336 1.00 0.00 H new ATOM 0 HD23 LEU A 25 12.724 8.483 -21.669 1.00 0.00 H new ATOM 843 N LYS A 26 12.290 8.053 -16.703 1.00 0.00 N ATOM 844 CA LYS A 26 13.565 7.895 -15.933 1.00 0.00 C ATOM 845 C LYS A 26 13.394 6.840 -14.824 1.00 0.00 C ATOM 846 O LYS A 26 14.363 6.201 -14.421 1.00 0.00 O ATOM 847 CB LYS A 26 13.979 9.232 -15.304 1.00 0.00 C ATOM 848 CG LYS A 26 15.404 9.119 -14.758 1.00 0.00 C ATOM 849 CD LYS A 26 16.023 10.515 -14.656 1.00 0.00 C ATOM 850 CE LYS A 26 17.062 10.532 -13.533 1.00 0.00 C ATOM 851 NZ LYS A 26 17.727 11.865 -13.493 1.00 0.00 N ATOM 0 H LYS A 26 11.739 8.880 -16.473 1.00 0.00 H new ATOM 0 HA LYS A 26 14.342 7.568 -16.624 1.00 0.00 H new ATOM 0 HB2 LYS A 26 13.925 10.028 -16.047 1.00 0.00 H new ATOM 0 HB3 LYS A 26 13.291 9.497 -14.502 1.00 0.00 H new ATOM 0 HG2 LYS A 26 15.393 8.642 -13.778 1.00 0.00 H new ATOM 0 HG3 LYS A 26 16.007 8.489 -15.412 1.00 0.00 H new ATOM 0 HD2 LYS A 26 16.490 10.787 -15.602 1.00 0.00 H new ATOM 0 HD3 LYS A 26 15.247 11.255 -14.459 1.00 0.00 H new ATOM 0 HE2 LYS A 26 16.583 10.324 -12.576 1.00 0.00 H new ATOM 0 HE3 LYS A 26 17.802 9.749 -13.696 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 18.434 11.878 -12.730 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 18.197 12.046 -14.403 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 17.015 12.603 -13.318 1.00 0.00 H new ATOM 852 N LYS A 27 12.194 6.631 -14.318 1.00 0.00 N ATOM 853 CA LYS A 27 12.014 5.601 -13.245 1.00 0.00 C ATOM 854 C LYS A 27 12.017 4.186 -13.862 1.00 0.00 C ATOM 855 O LYS A 27 12.394 3.221 -13.199 1.00 0.00 O ATOM 856 CB LYS A 27 10.688 5.828 -12.509 1.00 0.00 C ATOM 857 CG LYS A 27 10.806 7.060 -11.610 1.00 0.00 C ATOM 858 CD LYS A 27 9.409 7.558 -11.239 1.00 0.00 C ATOM 859 CE LYS A 27 9.516 8.924 -10.558 1.00 0.00 C ATOM 860 NZ LYS A 27 8.158 9.528 -10.443 1.00 0.00 N ATOM 0 H LYS A 27 11.346 7.123 -14.599 1.00 0.00 H new ATOM 0 HA LYS A 27 12.839 5.691 -12.538 1.00 0.00 H new ATOM 0 HB2 LYS A 27 9.880 5.966 -13.228 1.00 0.00 H new ATOM 0 HB3 LYS A 27 10.437 4.952 -11.911 1.00 0.00 H new ATOM 0 HG2 LYS A 27 11.367 6.813 -10.708 1.00 0.00 H new ATOM 0 HG3 LYS A 27 11.359 7.846 -12.124 1.00 0.00 H new ATOM 0 HD2 LYS A 27 8.789 7.633 -12.133 1.00 0.00 H new ATOM 0 HD3 LYS A 27 8.923 6.845 -10.573 1.00 0.00 H new ATOM 0 HE2 LYS A 27 9.963 8.816 -9.570 1.00 0.00 H new ATOM 0 HE3 LYS A 27 10.170 9.579 -11.133 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 8.246 10.537 -10.205 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 7.656 9.428 -11.348 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 7.624 9.041 -9.695 1.00 0.00 H new ATOM 861 N SER A 28 11.598 4.028 -15.105 1.00 0.00 N ATOM 862 CA SER A 28 11.585 2.660 -15.714 1.00 0.00 C ATOM 863 C SER A 28 12.991 2.288 -16.212 1.00 0.00 C ATOM 864 O SER A 28 13.421 1.145 -16.067 1.00 0.00 O ATOM 865 CB SER A 28 10.605 2.616 -16.892 1.00 0.00 C ATOM 866 OG SER A 28 9.307 2.291 -16.410 1.00 0.00 O ATOM 0 H SER A 28 11.270 4.780 -15.712 1.00 0.00 H new ATOM 0 HA SER A 28 11.270 1.946 -14.953 1.00 0.00 H new ATOM 0 HB2 SER A 28 10.586 3.580 -17.401 1.00 0.00 H new ATOM 0 HB3 SER A 28 10.930 1.876 -17.623 1.00 0.00 H new ATOM 0 HG SER A 28 8.667 2.969 -16.711 1.00 0.00 H new ATOM 867 N LEU A 29 13.719 3.216 -16.800 1.00 0.00 N ATOM 868 CA LEU A 29 15.090 2.873 -17.302 1.00 0.00 C ATOM 869 C LEU A 29 16.040 2.683 -16.114 1.00 0.00 C ATOM 870 O LEU A 29 16.677 1.641 -15.976 1.00 0.00 O ATOM 871 CB LEU A 29 15.624 3.996 -18.203 1.00 0.00 C ATOM 872 CG LEU A 29 14.751 4.106 -19.453 1.00 0.00 C ATOM 873 CD1 LEU A 29 14.854 5.521 -20.024 1.00 0.00 C ATOM 874 CD2 LEU A 29 15.230 3.098 -20.501 1.00 0.00 C ATOM 0 H LEU A 29 13.426 4.181 -16.951 1.00 0.00 H new ATOM 0 HA LEU A 29 15.031 1.950 -17.879 1.00 0.00 H new ATOM 0 HB2 LEU A 29 15.623 4.942 -17.662 1.00 0.00 H new ATOM 0 HB3 LEU A 29 16.657 3.791 -18.485 1.00 0.00 H new ATOM 0 HG LEU A 29 13.714 3.894 -19.191 1.00 0.00 H new ATOM 0 HD11 LEU A 29 14.232 5.600 -20.915 1.00 0.00 H new ATOM 0 HD12 LEU A 29 14.513 6.240 -19.279 1.00 0.00 H new ATOM 0 HD13 LEU A 29 15.891 5.733 -20.285 1.00 0.00 H new ATOM 0 HD21 LEU A 29 14.608 3.176 -21.392 1.00 0.00 H new ATOM 0 HD22 LEU A 29 16.267 3.310 -20.763 1.00 0.00 H new ATOM 0 HD23 LEU A 29 15.157 2.089 -20.095 1.00 0.00 H new ATOM 875 N HIS A 30 16.152 3.666 -15.256 1.00 0.00 N ATOM 876 CA HIS A 30 17.069 3.531 -14.076 1.00 0.00 C ATOM 877 C HIS A 30 16.759 2.247 -13.281 1.00 0.00 C ATOM 878 O HIS A 30 17.641 1.698 -12.626 1.00 0.00 O ATOM 879 CB HIS A 30 16.919 4.743 -13.146 1.00 0.00 C ATOM 880 CG HIS A 30 18.171 4.904 -12.328 1.00 0.00 C ATOM 881 ND1 HIS A 30 18.226 4.565 -10.985 1.00 0.00 N ATOM 882 CD2 HIS A 30 19.424 5.366 -12.649 1.00 0.00 C ATOM 883 CE1 HIS A 30 19.472 4.827 -10.552 1.00 0.00 C ATOM 884 NE2 HIS A 30 20.243 5.317 -11.525 1.00 0.00 N ATOM 0 H HIS A 30 15.652 4.553 -15.318 1.00 0.00 H new ATOM 0 HA HIS A 30 18.091 3.479 -14.452 1.00 0.00 H new ATOM 0 HB2 HIS A 30 16.736 5.644 -13.732 1.00 0.00 H new ATOM 0 HB3 HIS A 30 16.058 4.608 -12.491 1.00 0.00 H new ATOM 0 HD2 HIS A 30 19.727 5.714 -13.625 1.00 0.00 H new ATOM 0 HE1 HIS A 30 19.808 4.661 -9.539 1.00 0.00 H new ATOM 0 HE2 HIS A 30 21.222 5.596 -11.459 1.00 0.00 H new ATOM 885 N ALA A 31 15.535 1.757 -13.304 1.00 0.00 N ATOM 886 CA ALA A 31 15.220 0.518 -12.523 1.00 0.00 C ATOM 887 C ALA A 31 15.733 -0.723 -13.269 1.00 0.00 C ATOM 888 O ALA A 31 16.664 -1.383 -12.816 1.00 0.00 O ATOM 889 CB ALA A 31 13.704 0.390 -12.318 1.00 0.00 C ATOM 0 H ALA A 31 14.754 2.158 -13.823 1.00 0.00 H new ATOM 0 HA ALA A 31 15.712 0.589 -11.553 1.00 0.00 H new ATOM 0 HB1 ALA A 31 13.489 -0.515 -11.749 1.00 0.00 H new ATOM 0 HB2 ALA A 31 13.336 1.258 -11.772 1.00 0.00 H new ATOM 0 HB3 ALA A 31 13.209 0.335 -13.288 1.00 0.00 H new ATOM 890 N ILE A 32 15.129 -1.078 -14.388 1.00 0.00 N ATOM 891 CA ILE A 32 15.567 -2.292 -15.132 1.00 0.00 C ATOM 892 C ILE A 32 17.104 -2.362 -15.272 1.00 0.00 C ATOM 893 O ILE A 32 17.727 -3.326 -14.831 1.00 0.00 O ATOM 894 CB ILE A 32 14.923 -2.348 -16.532 1.00 0.00 C ATOM 895 CG1 ILE A 32 14.734 -0.952 -17.181 1.00 0.00 C ATOM 896 CG2 ILE A 32 13.567 -3.049 -16.437 1.00 0.00 C ATOM 897 CD1 ILE A 32 15.321 -0.953 -18.597 1.00 0.00 C ATOM 0 H ILE A 32 14.351 -0.572 -14.811 1.00 0.00 H new ATOM 0 HA ILE A 32 15.235 -3.150 -14.548 1.00 0.00 H new ATOM 0 HB ILE A 32 15.609 -2.903 -17.172 1.00 0.00 H new ATOM 0 HG12 ILE A 32 13.675 -0.698 -17.217 1.00 0.00 H new ATOM 0 HG13 ILE A 32 15.224 -0.190 -16.575 1.00 0.00 H new ATOM 0 HG21 ILE A 32 13.109 -3.090 -17.425 1.00 0.00 H new ATOM 0 HG22 ILE A 32 13.707 -4.062 -16.059 1.00 0.00 H new ATOM 0 HG23 ILE A 32 12.918 -2.495 -15.759 1.00 0.00 H new ATOM 0 HD11 ILE A 32 15.185 0.030 -19.048 1.00 0.00 H new ATOM 0 HD12 ILE A 32 16.385 -1.187 -18.550 1.00 0.00 H new ATOM 0 HD13 ILE A 32 14.811 -1.703 -19.202 1.00 0.00 H new ATOM 898 N PHE A 33 17.724 -1.385 -15.885 1.00 0.00 N ATOM 899 CA PHE A 33 19.216 -1.430 -16.058 1.00 0.00 C ATOM 900 C PHE A 33 19.921 -1.487 -14.691 1.00 0.00 C ATOM 901 O PHE A 33 20.936 -2.165 -14.540 1.00 0.00 O ATOM 902 CB PHE A 33 19.694 -0.185 -16.818 1.00 0.00 C ATOM 903 CG PHE A 33 19.245 -0.275 -18.256 1.00 0.00 C ATOM 904 CD1 PHE A 33 19.970 -1.052 -19.168 1.00 0.00 C ATOM 905 CD2 PHE A 33 18.104 0.416 -18.678 1.00 0.00 C ATOM 906 CE1 PHE A 33 19.553 -1.137 -20.501 1.00 0.00 C ATOM 907 CE2 PHE A 33 17.686 0.331 -20.011 1.00 0.00 C ATOM 908 CZ PHE A 33 18.411 -0.445 -20.923 1.00 0.00 C ATOM 0 H PHE A 33 17.267 -0.560 -16.273 1.00 0.00 H new ATOM 0 HA PHE A 33 19.465 -2.327 -16.625 1.00 0.00 H new ATOM 0 HB2 PHE A 33 19.290 0.715 -16.355 1.00 0.00 H new ATOM 0 HB3 PHE A 33 20.780 -0.109 -16.768 1.00 0.00 H new ATOM 0 HD1 PHE A 33 20.851 -1.586 -18.843 1.00 0.00 H new ATOM 0 HD2 PHE A 33 17.545 1.016 -17.975 1.00 0.00 H new ATOM 0 HE1 PHE A 33 20.112 -1.736 -21.204 1.00 0.00 H new ATOM 0 HE2 PHE A 33 16.805 0.864 -20.336 1.00 0.00 H new ATOM 0 HZ PHE A 33 18.090 -0.510 -21.952 1.00 0.00 H new ATOM 909 N SER A 34 19.426 -0.786 -13.695 1.00 0.00 N ATOM 910 CA SER A 34 20.108 -0.811 -12.354 1.00 0.00 C ATOM 911 C SER A 34 20.275 -2.261 -11.860 1.00 0.00 C ATOM 912 O SER A 34 21.274 -2.591 -11.224 1.00 0.00 O ATOM 913 CB SER A 34 19.287 -0.027 -11.323 1.00 0.00 C ATOM 914 OG SER A 34 19.687 -0.412 -10.014 1.00 0.00 O ATOM 0 H SER A 34 18.590 -0.204 -13.749 1.00 0.00 H new ATOM 0 HA SER A 34 21.089 -0.350 -12.467 1.00 0.00 H new ATOM 0 HB2 SER A 34 19.435 1.044 -11.461 1.00 0.00 H new ATOM 0 HB3 SER A 34 18.224 -0.222 -11.463 1.00 0.00 H new ATOM 0 HG SER A 34 19.165 0.088 -9.352 1.00 0.00 H new ATOM 915 N ARG A 35 19.322 -3.135 -12.122 1.00 0.00 N ATOM 916 CA ARG A 35 19.450 -4.556 -11.642 1.00 0.00 C ATOM 917 C ARG A 35 20.828 -5.124 -12.025 1.00 0.00 C ATOM 918 O ARG A 35 21.508 -5.733 -11.199 1.00 0.00 O ATOM 919 CB ARG A 35 18.358 -5.433 -12.274 1.00 0.00 C ATOM 920 CG ARG A 35 17.041 -5.264 -11.503 1.00 0.00 C ATOM 921 CD ARG A 35 16.044 -4.465 -12.346 1.00 0.00 C ATOM 922 NE ARG A 35 15.119 -3.719 -11.448 1.00 0.00 N ATOM 923 CZ ARG A 35 13.941 -4.208 -11.169 1.00 0.00 C ATOM 924 NH1 ARG A 35 13.834 -5.421 -10.699 1.00 0.00 N ATOM 925 NH2 ARG A 35 12.871 -3.486 -11.360 1.00 0.00 N ATOM 0 H ARG A 35 18.470 -2.928 -12.642 1.00 0.00 H new ATOM 0 HA ARG A 35 19.340 -4.561 -10.558 1.00 0.00 H new ATOM 0 HB2 ARG A 35 18.216 -5.156 -13.319 1.00 0.00 H new ATOM 0 HB3 ARG A 35 18.666 -6.479 -12.260 1.00 0.00 H new ATOM 0 HG2 ARG A 35 16.624 -6.241 -11.259 1.00 0.00 H new ATOM 0 HG3 ARG A 35 17.225 -4.752 -10.559 1.00 0.00 H new ATOM 0 HD2 ARG A 35 16.576 -3.770 -12.996 1.00 0.00 H new ATOM 0 HD3 ARG A 35 15.478 -5.136 -12.992 1.00 0.00 H new ATOM 0 HE ARG A 35 15.406 -2.825 -11.050 1.00 0.00 H new ATOM 0 HH11 ARG A 35 14.670 -5.986 -10.550 1.00 0.00 H new ATOM 0 HH12 ARG A 35 12.914 -5.804 -10.481 1.00 0.00 H new ATOM 0 HH21 ARG A 35 12.954 -2.538 -11.728 1.00 0.00 H new ATOM 0 HH22 ARG A 35 11.951 -3.869 -11.142 1.00 0.00 H new ATOM 926 N PHE A 36 21.257 -4.945 -13.255 1.00 0.00 N ATOM 927 CA PHE A 36 22.594 -5.487 -13.660 1.00 0.00 C ATOM 928 C PHE A 36 23.697 -4.793 -12.850 1.00 0.00 C ATOM 929 O PHE A 36 24.495 -5.452 -12.185 1.00 0.00 O ATOM 930 CB PHE A 36 22.833 -5.251 -15.158 1.00 0.00 C ATOM 931 CG PHE A 36 22.002 -6.226 -15.955 1.00 0.00 C ATOM 932 CD1 PHE A 36 20.677 -5.912 -16.282 1.00 0.00 C ATOM 933 CD2 PHE A 36 22.552 -7.447 -16.362 1.00 0.00 C ATOM 934 CE1 PHE A 36 19.903 -6.818 -17.017 1.00 0.00 C ATOM 935 CE2 PHE A 36 21.779 -8.353 -17.096 1.00 0.00 C ATOM 936 CZ PHE A 36 20.454 -8.039 -17.423 1.00 0.00 C ATOM 0 H PHE A 36 20.745 -4.453 -13.987 1.00 0.00 H new ATOM 0 HA PHE A 36 22.614 -6.559 -13.463 1.00 0.00 H new ATOM 0 HB2 PHE A 36 22.568 -4.228 -15.423 1.00 0.00 H new ATOM 0 HB3 PHE A 36 23.890 -5.378 -15.394 1.00 0.00 H new ATOM 0 HD1 PHE A 36 20.252 -4.970 -15.967 1.00 0.00 H new ATOM 0 HD2 PHE A 36 23.574 -7.690 -16.109 1.00 0.00 H new ATOM 0 HE1 PHE A 36 18.882 -6.575 -17.271 1.00 0.00 H new ATOM 0 HE2 PHE A 36 22.204 -9.295 -17.410 1.00 0.00 H new ATOM 0 HZ PHE A 36 19.857 -8.739 -17.989 1.00 0.00 H new ATOM 937 N GLY A 37 23.767 -3.479 -12.885 1.00 0.00 N ATOM 938 CA GLY A 37 24.831 -2.773 -12.108 1.00 0.00 C ATOM 939 C GLY A 37 24.343 -1.373 -11.704 1.00 0.00 C ATOM 940 O GLY A 37 23.145 -1.094 -11.722 1.00 0.00 O ATOM 0 H GLY A 37 23.138 -2.874 -13.414 1.00 0.00 H new ATOM 0 HA2 GLY A 37 25.087 -3.349 -11.219 1.00 0.00 H new ATOM 0 HA3 GLY A 37 25.738 -2.692 -12.707 1.00 0.00 H new ATOM 941 N GLN A 38 25.243 -0.481 -11.343 1.00 0.00 N ATOM 942 CA GLN A 38 24.809 0.893 -10.946 1.00 0.00 C ATOM 943 C GLN A 38 24.739 1.780 -12.194 1.00 0.00 C ATOM 944 O GLN A 38 25.489 1.583 -13.148 1.00 0.00 O ATOM 945 CB GLN A 38 25.807 1.493 -9.949 1.00 0.00 C ATOM 946 CG GLN A 38 25.120 2.596 -9.142 1.00 0.00 C ATOM 947 CD GLN A 38 25.958 2.918 -7.898 1.00 0.00 C ATOM 948 OE1 GLN A 38 26.131 2.067 -7.029 1.00 0.00 O ATOM 949 NE2 GLN A 38 26.490 4.108 -7.758 1.00 0.00 N ATOM 0 H GLN A 38 26.249 -0.648 -11.308 1.00 0.00 H new ATOM 0 HA GLN A 38 23.827 0.837 -10.475 1.00 0.00 H new ATOM 0 HB2 GLN A 38 26.181 0.717 -9.280 1.00 0.00 H new ATOM 0 HB3 GLN A 38 26.668 1.899 -10.480 1.00 0.00 H new ATOM 0 HG2 GLN A 38 25.002 3.490 -9.755 1.00 0.00 H new ATOM 0 HG3 GLN A 38 24.120 2.277 -8.847 1.00 0.00 H new ATOM 0 HE21 GLN A 38 26.349 4.818 -8.477 1.00 0.00 H new ATOM 0 HE22 GLN A 38 27.045 4.324 -6.930 1.00 0.00 H new ATOM 950 N ILE A 39 23.856 2.752 -12.215 1.00 0.00 N ATOM 951 CA ILE A 39 23.754 3.637 -13.410 1.00 0.00 C ATOM 952 C ILE A 39 24.227 5.049 -13.037 1.00 0.00 C ATOM 953 O ILE A 39 23.627 5.711 -12.192 1.00 0.00 O ATOM 954 CB ILE A 39 22.299 3.690 -13.882 1.00 0.00 C ATOM 955 CG1 ILE A 39 21.784 2.264 -14.098 1.00 0.00 C ATOM 956 CG2 ILE A 39 22.215 4.468 -15.197 1.00 0.00 C ATOM 957 CD1 ILE A 39 20.262 2.286 -14.221 1.00 0.00 C ATOM 0 H ILE A 39 23.207 2.966 -11.458 1.00 0.00 H new ATOM 0 HA ILE A 39 24.379 3.244 -14.212 1.00 0.00 H new ATOM 0 HB ILE A 39 21.690 4.188 -13.128 1.00 0.00 H new ATOM 0 HG12 ILE A 39 22.226 1.839 -14.999 1.00 0.00 H new ATOM 0 HG13 ILE A 39 22.083 1.628 -13.265 1.00 0.00 H new ATOM 0 HG21 ILE A 39 21.178 4.505 -15.532 1.00 0.00 H new ATOM 0 HG22 ILE A 39 22.583 5.482 -15.044 1.00 0.00 H new ATOM 0 HG23 ILE A 39 22.823 3.971 -15.953 1.00 0.00 H new ATOM 0 HD11 ILE A 39 19.895 1.271 -14.375 1.00 0.00 H new ATOM 0 HD12 ILE A 39 19.829 2.694 -13.308 1.00 0.00 H new ATOM 0 HD13 ILE A 39 19.974 2.908 -15.068 1.00 0.00 H new ATOM 958 N LEU A 40 25.297 5.525 -13.639 1.00 0.00 N ATOM 959 CA LEU A 40 25.793 6.896 -13.292 1.00 0.00 C ATOM 960 C LEU A 40 24.687 7.928 -13.545 1.00 0.00 C ATOM 961 O LEU A 40 24.506 8.856 -12.759 1.00 0.00 O ATOM 962 CB LEU A 40 27.027 7.252 -14.137 1.00 0.00 C ATOM 963 CG LEU A 40 28.199 6.342 -13.751 1.00 0.00 C ATOM 964 CD1 LEU A 40 29.403 6.655 -14.641 1.00 0.00 C ATOM 965 CD2 LEU A 40 28.577 6.583 -12.286 1.00 0.00 C ATOM 0 H LEU A 40 25.840 5.029 -14.346 1.00 0.00 H new ATOM 0 HA LEU A 40 26.071 6.908 -12.238 1.00 0.00 H new ATOM 0 HB2 LEU A 40 26.799 7.138 -15.197 1.00 0.00 H new ATOM 0 HB3 LEU A 40 27.298 8.296 -13.980 1.00 0.00 H new ATOM 0 HG LEU A 40 27.905 5.301 -13.885 1.00 0.00 H new ATOM 0 HD11 LEU A 40 30.236 6.008 -14.367 1.00 0.00 H new ATOM 0 HD12 LEU A 40 29.139 6.483 -15.684 1.00 0.00 H new ATOM 0 HD13 LEU A 40 29.693 7.697 -14.507 1.00 0.00 H new ATOM 0 HD21 LEU A 40 29.410 5.935 -12.014 1.00 0.00 H new ATOM 0 HD22 LEU A 40 28.869 7.625 -12.152 1.00 0.00 H new ATOM 0 HD23 LEU A 40 27.721 6.361 -11.648 1.00 0.00 H new ATOM 966 N ASP A 41 23.940 7.795 -14.621 1.00 0.00 N ATOM 967 CA ASP A 41 22.852 8.791 -14.894 1.00 0.00 C ATOM 968 C ASP A 41 22.127 8.450 -16.207 1.00 0.00 C ATOM 969 O ASP A 41 22.643 7.703 -17.037 1.00 0.00 O ATOM 970 CB ASP A 41 23.459 10.193 -15.008 1.00 0.00 C ATOM 971 CG ASP A 41 22.529 11.210 -14.344 1.00 0.00 C ATOM 972 OD1 ASP A 41 22.659 11.409 -13.147 1.00 0.00 O ATOM 973 OD2 ASP A 41 21.704 11.774 -15.044 1.00 0.00 O ATOM 0 H ASP A 41 24.035 7.051 -15.312 1.00 0.00 H new ATOM 0 HA ASP A 41 22.136 8.759 -14.073 1.00 0.00 H new ATOM 0 HB2 ASP A 41 24.439 10.216 -14.531 1.00 0.00 H new ATOM 0 HB3 ASP A 41 23.608 10.452 -16.056 1.00 0.00 H new ATOM 974 N ILE A 42 20.943 8.985 -16.417 1.00 0.00 N ATOM 975 CA ILE A 42 20.205 8.689 -17.678 1.00 0.00 C ATOM 976 C ILE A 42 19.792 10.010 -18.341 1.00 0.00 C ATOM 977 O ILE A 42 19.489 10.988 -17.658 1.00 0.00 O ATOM 978 CB ILE A 42 18.954 7.866 -17.361 1.00 0.00 C ATOM 979 CG1 ILE A 42 19.356 6.596 -16.607 1.00 0.00 C ATOM 980 CG2 ILE A 42 18.253 7.482 -18.665 1.00 0.00 C ATOM 981 CD1 ILE A 42 18.169 6.096 -15.782 1.00 0.00 C ATOM 0 H ILE A 42 20.463 9.610 -15.769 1.00 0.00 H new ATOM 0 HA ILE A 42 20.847 8.123 -18.352 1.00 0.00 H new ATOM 0 HB ILE A 42 18.277 8.457 -16.744 1.00 0.00 H new ATOM 0 HG12 ILE A 42 19.673 5.827 -17.311 1.00 0.00 H new ATOM 0 HG13 ILE A 42 20.205 6.801 -15.955 1.00 0.00 H new ATOM 0 HG21 ILE A 42 17.362 6.896 -18.440 1.00 0.00 H new ATOM 0 HG22 ILE A 42 17.967 8.385 -19.204 1.00 0.00 H new ATOM 0 HG23 ILE A 42 18.930 6.891 -19.282 1.00 0.00 H new ATOM 0 HD11 ILE A 42 18.455 5.192 -15.245 1.00 0.00 H new ATOM 0 HD12 ILE A 42 17.873 6.864 -15.068 1.00 0.00 H new ATOM 0 HD13 ILE A 42 17.332 5.875 -16.445 1.00 0.00 H new ATOM 982 N LEU A 43 19.775 10.070 -19.655 1.00 0.00 N ATOM 983 CA LEU A 43 19.384 11.338 -20.336 1.00 0.00 C ATOM 984 C LEU A 43 18.130 11.102 -21.191 1.00 0.00 C ATOM 985 O LEU A 43 18.101 10.204 -22.032 1.00 0.00 O ATOM 986 CB LEU A 43 20.530 11.809 -21.231 1.00 0.00 C ATOM 987 CG LEU A 43 21.618 12.453 -20.371 1.00 0.00 C ATOM 988 CD1 LEU A 43 22.647 11.395 -19.970 1.00 0.00 C ATOM 989 CD2 LEU A 43 22.309 13.558 -21.170 1.00 0.00 C ATOM 0 H LEU A 43 20.014 9.298 -20.277 1.00 0.00 H new ATOM 0 HA LEU A 43 19.170 12.099 -19.586 1.00 0.00 H new ATOM 0 HB2 LEU A 43 20.942 10.966 -21.786 1.00 0.00 H new ATOM 0 HB3 LEU A 43 20.161 12.525 -21.966 1.00 0.00 H new ATOM 0 HG LEU A 43 21.168 12.878 -19.474 1.00 0.00 H new ATOM 0 HD11 LEU A 43 23.422 11.855 -19.357 1.00 0.00 H new ATOM 0 HD12 LEU A 43 22.155 10.606 -19.401 1.00 0.00 H new ATOM 0 HD13 LEU A 43 23.098 10.969 -20.866 1.00 0.00 H new ATOM 0 HD21 LEU A 43 23.085 14.018 -20.558 1.00 0.00 H new ATOM 0 HD22 LEU A 43 22.759 13.132 -22.067 1.00 0.00 H new ATOM 0 HD23 LEU A 43 21.576 14.313 -21.455 1.00 0.00 H new ATOM 990 N VAL A 44 17.095 11.892 -21.002 1.00 0.00 N ATOM 991 CA VAL A 44 15.855 11.707 -21.814 1.00 0.00 C ATOM 992 C VAL A 44 15.608 12.985 -22.631 1.00 0.00 C ATOM 993 O VAL A 44 16.140 14.046 -22.307 1.00 0.00 O ATOM 994 CB VAL A 44 14.655 11.451 -20.893 1.00 0.00 C ATOM 995 CG1 VAL A 44 13.474 10.941 -21.719 1.00 0.00 C ATOM 996 CG2 VAL A 44 15.017 10.401 -19.838 1.00 0.00 C ATOM 0 H VAL A 44 17.060 12.652 -20.323 1.00 0.00 H new ATOM 0 HA VAL A 44 15.977 10.851 -22.478 1.00 0.00 H new ATOM 0 HB VAL A 44 14.386 12.384 -20.398 1.00 0.00 H new ATOM 0 HG11 VAL A 44 12.623 10.760 -21.063 1.00 0.00 H new ATOM 0 HG12 VAL A 44 13.204 11.687 -22.467 1.00 0.00 H new ATOM 0 HG13 VAL A 44 13.752 10.012 -22.217 1.00 0.00 H new ATOM 0 HG21 VAL A 44 14.159 10.226 -19.189 1.00 0.00 H new ATOM 0 HG22 VAL A 44 15.294 9.470 -20.332 1.00 0.00 H new ATOM 0 HG23 VAL A 44 15.856 10.759 -19.241 1.00 0.00 H new ATOM 997 N SER A 45 14.821 12.916 -23.683 1.00 0.00 N ATOM 998 CA SER A 45 14.567 14.141 -24.496 1.00 0.00 C ATOM 999 C SER A 45 13.131 14.115 -25.043 1.00 0.00 C ATOM 1000 O SER A 45 12.522 13.054 -25.166 1.00 0.00 O ATOM 1001 CB SER A 45 15.560 14.190 -25.662 1.00 0.00 C ATOM 1002 OG SER A 45 16.261 12.955 -25.732 1.00 0.00 O ATOM 0 H SER A 45 14.350 12.071 -24.007 1.00 0.00 H new ATOM 0 HA SER A 45 14.694 15.024 -23.869 1.00 0.00 H new ATOM 0 HB2 SER A 45 15.032 14.376 -26.597 1.00 0.00 H new ATOM 0 HB3 SER A 45 16.262 15.013 -25.523 1.00 0.00 H new ATOM 0 HG SER A 45 17.157 13.108 -26.098 1.00 0.00 H new ATOM 1003 N ARG A 46 12.574 15.261 -25.380 1.00 0.00 N ATOM 1004 CA ARG A 46 11.183 15.282 -25.921 1.00 0.00 C ATOM 1005 C ARG A 46 11.152 16.073 -27.241 1.00 0.00 C ATOM 1006 O ARG A 46 10.190 16.789 -27.521 1.00 0.00 O ATOM 1007 CB ARG A 46 10.251 15.948 -24.904 1.00 0.00 C ATOM 1008 CG ARG A 46 10.765 17.352 -24.576 1.00 0.00 C ATOM 1009 CD ARG A 46 9.758 18.072 -23.676 1.00 0.00 C ATOM 1010 NE ARG A 46 8.404 18.020 -24.297 1.00 0.00 N ATOM 1011 CZ ARG A 46 7.396 17.536 -23.623 1.00 0.00 C ATOM 1012 NH1 ARG A 46 7.102 18.025 -22.448 1.00 0.00 N ATOM 1013 NH2 ARG A 46 6.683 16.565 -24.123 1.00 0.00 N ATOM 0 H ARG A 46 13.024 16.173 -25.302 1.00 0.00 H new ATOM 0 HA ARG A 46 10.851 14.260 -26.105 1.00 0.00 H new ATOM 0 HB2 ARG A 46 9.239 16.005 -25.306 1.00 0.00 H new ATOM 0 HB3 ARG A 46 10.199 15.348 -23.996 1.00 0.00 H new ATOM 0 HG2 ARG A 46 11.732 17.289 -24.078 1.00 0.00 H new ATOM 0 HG3 ARG A 46 10.916 17.918 -25.495 1.00 0.00 H new ATOM 0 HD2 ARG A 46 9.736 17.604 -22.692 1.00 0.00 H new ATOM 0 HD3 ARG A 46 10.062 19.108 -23.530 1.00 0.00 H new ATOM 0 HE ARG A 46 8.265 18.362 -25.248 1.00 0.00 H new ATOM 0 HH11 ARG A 46 7.660 18.785 -22.058 1.00 0.00 H new ATOM 0 HH12 ARG A 46 6.315 17.647 -21.921 1.00 0.00 H new ATOM 0 HH21 ARG A 46 6.913 16.184 -25.041 1.00 0.00 H new ATOM 0 HH22 ARG A 46 5.896 16.187 -23.596 1.00 0.00 H new ATOM 1014 N SER A 47 12.177 15.964 -28.061 1.00 0.00 N ATOM 1015 CA SER A 47 12.184 16.713 -29.351 1.00 0.00 C ATOM 1016 C SER A 47 11.865 15.749 -30.505 1.00 0.00 C ATOM 1017 O SER A 47 11.757 14.542 -30.301 1.00 0.00 O ATOM 1018 CB SER A 47 13.565 17.329 -29.566 1.00 0.00 C ATOM 1019 OG SER A 47 14.533 16.294 -29.668 1.00 0.00 O ATOM 0 H SER A 47 13.002 15.390 -27.888 1.00 0.00 H new ATOM 0 HA SER A 47 11.432 17.502 -29.322 1.00 0.00 H new ATOM 0 HB2 SER A 47 13.568 17.935 -30.472 1.00 0.00 H new ATOM 0 HB3 SER A 47 13.812 17.993 -28.738 1.00 0.00 H new ATOM 0 HG SER A 47 15.419 16.688 -29.808 1.00 0.00 H new ATOM 1020 N LEU A 48 11.705 16.251 -31.714 1.00 0.00 N ATOM 1021 CA LEU A 48 11.387 15.332 -32.857 1.00 0.00 C ATOM 1022 C LEU A 48 12.559 14.367 -33.089 1.00 0.00 C ATOM 1023 O LEU A 48 12.392 13.150 -33.034 1.00 0.00 O ATOM 1024 CB LEU A 48 11.145 16.136 -34.141 1.00 0.00 C ATOM 1025 CG LEU A 48 10.262 15.326 -35.093 1.00 0.00 C ATOM 1026 CD1 LEU A 48 9.336 16.273 -35.860 1.00 0.00 C ATOM 1027 CD2 LEU A 48 11.145 14.564 -36.084 1.00 0.00 C ATOM 0 H LEU A 48 11.780 17.240 -31.953 1.00 0.00 H new ATOM 0 HA LEU A 48 10.486 14.772 -32.607 1.00 0.00 H new ATOM 0 HB2 LEU A 48 10.666 17.086 -33.903 1.00 0.00 H new ATOM 0 HB3 LEU A 48 12.095 16.370 -34.620 1.00 0.00 H new ATOM 0 HG LEU A 48 9.664 14.618 -34.519 1.00 0.00 H new ATOM 0 HD11 LEU A 48 8.707 15.697 -36.538 1.00 0.00 H new ATOM 0 HD12 LEU A 48 8.707 16.817 -35.155 1.00 0.00 H new ATOM 0 HD13 LEU A 48 9.934 16.981 -36.434 1.00 0.00 H new ATOM 0 HD21 LEU A 48 10.516 13.987 -36.762 1.00 0.00 H new ATOM 0 HD22 LEU A 48 11.743 15.272 -36.658 1.00 0.00 H new ATOM 0 HD23 LEU A 48 11.805 13.889 -35.539 1.00 0.00 H new ATOM 1028 N LYS A 49 13.743 14.879 -33.358 1.00 0.00 N ATOM 1029 CA LYS A 49 14.911 13.967 -33.602 1.00 0.00 C ATOM 1030 C LYS A 49 15.093 13.023 -32.404 1.00 0.00 C ATOM 1031 O LYS A 49 15.342 11.831 -32.576 1.00 0.00 O ATOM 1032 CB LYS A 49 16.194 14.786 -33.795 1.00 0.00 C ATOM 1033 CG LYS A 49 16.226 15.355 -35.216 1.00 0.00 C ATOM 1034 CD LYS A 49 17.482 16.208 -35.396 1.00 0.00 C ATOM 1035 CE LYS A 49 17.726 16.447 -36.887 1.00 0.00 C ATOM 1036 NZ LYS A 49 19.191 16.542 -37.142 1.00 0.00 N ATOM 0 H LYS A 49 13.948 15.876 -33.418 1.00 0.00 H new ATOM 0 HA LYS A 49 14.716 13.386 -34.503 1.00 0.00 H new ATOM 0 HB2 LYS A 49 16.235 15.596 -33.066 1.00 0.00 H new ATOM 0 HB3 LYS A 49 17.068 14.158 -33.623 1.00 0.00 H new ATOM 0 HG2 LYS A 49 16.217 14.544 -35.944 1.00 0.00 H new ATOM 0 HG3 LYS A 49 15.336 15.957 -35.398 1.00 0.00 H new ATOM 0 HD2 LYS A 49 17.365 17.160 -34.878 1.00 0.00 H new ATOM 0 HD3 LYS A 49 18.342 15.707 -34.952 1.00 0.00 H new ATOM 0 HE2 LYS A 49 17.296 15.634 -37.472 1.00 0.00 H new ATOM 0 HE3 LYS A 49 17.231 17.364 -37.205 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 19.357 16.705 -38.156 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 19.588 17.332 -36.595 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 19.652 15.655 -36.853 1.00 0.00 H new ATOM 1037 N MET A 50 14.978 13.523 -31.193 1.00 0.00 N ATOM 1038 CA MET A 50 15.151 12.640 -30.004 1.00 0.00 C ATOM 1039 C MET A 50 13.772 12.274 -29.437 1.00 0.00 C ATOM 1040 O MET A 50 13.447 12.608 -28.298 1.00 0.00 O ATOM 1041 CB MET A 50 15.970 13.373 -28.936 1.00 0.00 C ATOM 1042 CG MET A 50 17.265 13.903 -29.555 1.00 0.00 C ATOM 1043 SD MET A 50 18.283 12.513 -30.109 1.00 0.00 S ATOM 1044 CE MET A 50 19.252 12.325 -28.594 1.00 0.00 C ATOM 0 H MET A 50 14.773 14.500 -30.983 1.00 0.00 H new ATOM 0 HA MET A 50 15.675 11.731 -30.298 1.00 0.00 H new ATOM 0 HB2 MET A 50 15.390 14.197 -28.521 1.00 0.00 H new ATOM 0 HB3 MET A 50 16.199 12.697 -28.112 1.00 0.00 H new ATOM 0 HG2 MET A 50 17.037 14.558 -30.396 1.00 0.00 H new ATOM 0 HG3 MET A 50 17.812 14.500 -28.825 1.00 0.00 H new ATOM 0 HE1 MET A 50 20.114 11.688 -28.790 1.00 0.00 H new ATOM 0 HE2 MET A 50 19.593 13.304 -28.257 1.00 0.00 H new ATOM 0 HE3 MET A 50 18.633 11.870 -27.820 1.00 0.00 H new ATOM 1045 N ARG A 51 12.946 11.597 -30.205 1.00 0.00 N ATOM 1046 CA ARG A 51 11.596 11.223 -29.696 1.00 0.00 C ATOM 1047 C ARG A 51 11.483 9.691 -29.616 1.00 0.00 C ATOM 1048 O ARG A 51 11.753 8.989 -30.589 1.00 0.00 O ATOM 1049 CB ARG A 51 10.526 11.770 -30.651 1.00 0.00 C ATOM 1050 CG ARG A 51 9.488 12.577 -29.865 1.00 0.00 C ATOM 1051 CD ARG A 51 8.609 13.361 -30.840 1.00 0.00 C ATOM 1052 NE ARG A 51 8.211 14.656 -30.219 1.00 0.00 N ATOM 1053 CZ ARG A 51 7.095 14.742 -29.549 1.00 0.00 C ATOM 1054 NH1 ARG A 51 6.760 13.797 -28.714 1.00 0.00 N ATOM 1055 NH2 ARG A 51 6.313 15.774 -29.713 1.00 0.00 N ATOM 0 H ARG A 51 13.152 11.292 -31.156 1.00 0.00 H new ATOM 0 HA ARG A 51 11.449 11.647 -28.703 1.00 0.00 H new ATOM 0 HB2 ARG A 51 10.991 12.400 -31.409 1.00 0.00 H new ATOM 0 HB3 ARG A 51 10.039 10.947 -31.175 1.00 0.00 H new ATOM 0 HG2 ARG A 51 8.874 11.909 -29.261 1.00 0.00 H new ATOM 0 HG3 ARG A 51 9.987 13.260 -29.178 1.00 0.00 H new ATOM 0 HD2 ARG A 51 9.150 13.542 -31.769 1.00 0.00 H new ATOM 0 HD3 ARG A 51 7.723 12.780 -31.095 1.00 0.00 H new ATOM 0 HE ARG A 51 8.811 15.475 -30.318 1.00 0.00 H new ATOM 0 HH11 ARG A 51 7.371 12.990 -28.585 1.00 0.00 H new ATOM 0 HH12 ARG A 51 5.887 13.865 -28.190 1.00 0.00 H new ATOM 0 HH21 ARG A 51 6.574 16.513 -30.365 1.00 0.00 H new ATOM 0 HH22 ARG A 51 5.440 15.841 -29.189 1.00 0.00 H new ATOM 1056 N GLY A 52 11.087 9.156 -28.482 1.00 0.00 N ATOM 1057 CA GLY A 52 10.960 7.674 -28.361 1.00 0.00 C ATOM 1058 C GLY A 52 12.352 7.038 -28.225 1.00 0.00 C ATOM 1059 O GLY A 52 12.618 5.985 -28.801 1.00 0.00 O ATOM 0 H GLY A 52 10.848 9.683 -27.642 1.00 0.00 H new ATOM 0 HA2 GLY A 52 10.350 7.422 -27.494 1.00 0.00 H new ATOM 0 HA3 GLY A 52 10.451 7.271 -29.237 1.00 0.00 H new ATOM 1060 N GLN A 53 13.247 7.647 -27.476 1.00 0.00 N ATOM 1061 CA GLN A 53 14.611 7.053 -27.319 1.00 0.00 C ATOM 1062 C GLN A 53 15.240 7.529 -25.999 1.00 0.00 C ATOM 1063 O GLN A 53 14.931 8.615 -25.511 1.00 0.00 O ATOM 1064 CB GLN A 53 15.496 7.487 -28.491 1.00 0.00 C ATOM 1065 CG GLN A 53 15.502 9.013 -28.593 1.00 0.00 C ATOM 1066 CD GLN A 53 16.413 9.442 -29.750 1.00 0.00 C ATOM 1067 OE1 GLN A 53 17.586 9.741 -29.540 1.00 0.00 O ATOM 1068 NE2 GLN A 53 15.939 9.489 -30.973 1.00 0.00 N ATOM 0 H GLN A 53 13.091 8.520 -26.973 1.00 0.00 H new ATOM 0 HA GLN A 53 14.528 5.966 -27.306 1.00 0.00 H new ATOM 0 HB2 GLN A 53 16.512 7.118 -28.349 1.00 0.00 H new ATOM 0 HB3 GLN A 53 15.126 7.052 -29.419 1.00 0.00 H new ATOM 0 HG2 GLN A 53 14.489 9.382 -28.757 1.00 0.00 H new ATOM 0 HG3 GLN A 53 15.853 9.450 -27.658 1.00 0.00 H new ATOM 0 HE21 GLN A 53 14.966 9.242 -31.153 1.00 0.00 H new ATOM 0 HE22 GLN A 53 16.544 9.773 -31.744 1.00 0.00 H new ATOM 1069 N ALA A 54 16.115 6.743 -25.406 1.00 0.00 N ATOM 1070 CA ALA A 54 16.745 7.170 -24.120 1.00 0.00 C ATOM 1071 C ALA A 54 18.175 6.617 -24.035 1.00 0.00 C ATOM 1072 O ALA A 54 18.486 5.588 -24.627 1.00 0.00 O ATOM 1073 CB ALA A 54 15.922 6.633 -22.947 1.00 0.00 C ATOM 0 H ALA A 54 16.415 5.833 -25.757 1.00 0.00 H new ATOM 0 HA ALA A 54 16.776 8.259 -24.078 1.00 0.00 H new ATOM 0 HB1 ALA A 54 16.381 6.944 -22.008 1.00 0.00 H new ATOM 0 HB2 ALA A 54 14.908 7.028 -23.003 1.00 0.00 H new ATOM 0 HB3 ALA A 54 15.891 5.544 -22.993 1.00 0.00 H new ATOM 1074 N PHE A 55 19.056 7.275 -23.309 1.00 0.00 N ATOM 1075 CA PHE A 55 20.456 6.766 -23.200 1.00 0.00 C ATOM 1076 C PHE A 55 20.729 6.332 -21.754 1.00 0.00 C ATOM 1077 O PHE A 55 20.383 7.042 -20.812 1.00 0.00 O ATOM 1078 CB PHE A 55 21.438 7.878 -23.583 1.00 0.00 C ATOM 1079 CG PHE A 55 21.135 8.375 -24.977 1.00 0.00 C ATOM 1080 CD1 PHE A 55 20.032 9.208 -25.199 1.00 0.00 C ATOM 1081 CD2 PHE A 55 21.960 8.006 -26.045 1.00 0.00 C ATOM 1082 CE1 PHE A 55 19.754 9.672 -26.491 1.00 0.00 C ATOM 1083 CE2 PHE A 55 21.682 8.469 -27.337 1.00 0.00 C ATOM 1084 CZ PHE A 55 20.580 9.302 -27.560 1.00 0.00 C ATOM 0 H PHE A 55 18.863 8.134 -22.794 1.00 0.00 H new ATOM 0 HA PHE A 55 20.584 5.917 -23.871 1.00 0.00 H new ATOM 0 HB2 PHE A 55 21.366 8.700 -22.871 1.00 0.00 H new ATOM 0 HB3 PHE A 55 22.461 7.504 -23.535 1.00 0.00 H new ATOM 0 HD1 PHE A 55 19.396 9.493 -24.374 1.00 0.00 H new ATOM 0 HD2 PHE A 55 22.811 7.364 -25.873 1.00 0.00 H new ATOM 0 HE1 PHE A 55 18.903 10.315 -26.663 1.00 0.00 H new ATOM 0 HE2 PHE A 55 22.318 8.183 -28.162 1.00 0.00 H new ATOM 0 HZ PHE A 55 20.366 9.660 -28.556 1.00 0.00 H new ATOM 1085 N VAL A 56 21.352 5.190 -21.547 1.00 0.00 N ATOM 1086 CA VAL A 56 21.643 4.753 -20.149 1.00 0.00 C ATOM 1087 C VAL A 56 23.160 4.694 -19.942 1.00 0.00 C ATOM 1088 O VAL A 56 23.881 4.130 -20.759 1.00 0.00 O ATOM 1089 CB VAL A 56 21.047 3.368 -19.891 1.00 0.00 C ATOM 1090 CG1 VAL A 56 21.260 2.989 -18.420 1.00 0.00 C ATOM 1091 CG2 VAL A 56 19.549 3.391 -20.202 1.00 0.00 C ATOM 0 H VAL A 56 21.666 4.553 -22.279 1.00 0.00 H new ATOM 0 HA VAL A 56 21.198 5.467 -19.456 1.00 0.00 H new ATOM 0 HB VAL A 56 21.538 2.634 -20.531 1.00 0.00 H new ATOM 0 HG11 VAL A 56 20.836 2.002 -18.233 1.00 0.00 H new ATOM 0 HG12 VAL A 56 22.327 2.973 -18.199 1.00 0.00 H new ATOM 0 HG13 VAL A 56 20.768 3.722 -17.781 1.00 0.00 H new ATOM 0 HG21 VAL A 56 19.124 2.404 -20.018 1.00 0.00 H new ATOM 0 HG22 VAL A 56 19.056 4.123 -19.563 1.00 0.00 H new ATOM 0 HG23 VAL A 56 19.398 3.662 -21.247 1.00 0.00 H new ATOM 1092 N ILE A 57 23.666 5.260 -18.870 1.00 0.00 N ATOM 1093 CA ILE A 57 25.135 5.222 -18.639 1.00 0.00 C ATOM 1094 C ILE A 57 25.454 4.192 -17.546 1.00 0.00 C ATOM 1095 O ILE A 57 24.966 4.298 -16.422 1.00 0.00 O ATOM 1096 CB ILE A 57 25.612 6.604 -18.193 1.00 0.00 C ATOM 1097 CG1 ILE A 57 25.208 7.649 -19.237 1.00 0.00 C ATOM 1098 CG2 ILE A 57 27.132 6.595 -18.050 1.00 0.00 C ATOM 1099 CD1 ILE A 57 25.061 9.017 -18.565 1.00 0.00 C ATOM 0 H ILE A 57 23.124 5.742 -18.153 1.00 0.00 H new ATOM 0 HA ILE A 57 25.643 4.941 -19.561 1.00 0.00 H new ATOM 0 HB ILE A 57 25.155 6.852 -17.235 1.00 0.00 H new ATOM 0 HG12 ILE A 57 25.959 7.699 -20.026 1.00 0.00 H new ATOM 0 HG13 ILE A 57 24.268 7.362 -19.709 1.00 0.00 H new ATOM 0 HG21 ILE A 57 27.473 7.580 -17.732 1.00 0.00 H new ATOM 0 HG22 ILE A 57 27.423 5.853 -17.307 1.00 0.00 H new ATOM 0 HG23 ILE A 57 27.586 6.346 -19.009 1.00 0.00 H new ATOM 0 HD11 ILE A 57 24.773 9.759 -19.310 1.00 0.00 H new ATOM 0 HD12 ILE A 57 24.294 8.962 -17.792 1.00 0.00 H new ATOM 0 HD13 ILE A 57 26.011 9.305 -18.114 1.00 0.00 H new ATOM 1100 N PHE A 58 26.264 3.199 -17.844 1.00 0.00 N ATOM 1101 CA PHE A 58 26.601 2.183 -16.807 1.00 0.00 C ATOM 1102 C PHE A 58 27.980 2.507 -16.216 1.00 0.00 C ATOM 1103 O PHE A 58 28.853 3.028 -16.907 1.00 0.00 O ATOM 1104 CB PHE A 58 26.634 0.790 -17.442 1.00 0.00 C ATOM 1105 CG PHE A 58 25.339 0.063 -17.153 1.00 0.00 C ATOM 1106 CD1 PHE A 58 24.868 -0.053 -15.837 1.00 0.00 C ATOM 1107 CD2 PHE A 58 24.610 -0.500 -18.205 1.00 0.00 C ATOM 1108 CE1 PHE A 58 23.672 -0.732 -15.580 1.00 0.00 C ATOM 1109 CE2 PHE A 58 23.413 -1.178 -17.948 1.00 0.00 C ATOM 1110 CZ PHE A 58 22.945 -1.294 -16.635 1.00 0.00 C ATOM 0 H PHE A 58 26.700 3.054 -18.755 1.00 0.00 H new ATOM 0 HA PHE A 58 25.848 2.201 -16.019 1.00 0.00 H new ATOM 0 HB2 PHE A 58 26.781 0.875 -18.519 1.00 0.00 H new ATOM 0 HB3 PHE A 58 27.476 0.221 -17.049 1.00 0.00 H new ATOM 0 HD1 PHE A 58 25.428 0.382 -15.022 1.00 0.00 H new ATOM 0 HD2 PHE A 58 24.972 -0.411 -19.219 1.00 0.00 H new ATOM 0 HE1 PHE A 58 23.310 -0.822 -14.567 1.00 0.00 H new ATOM 0 HE2 PHE A 58 22.851 -1.611 -18.762 1.00 0.00 H new ATOM 0 HZ PHE A 58 22.022 -1.818 -16.435 1.00 0.00 H new ATOM 1111 N LYS A 59 28.203 2.211 -14.952 1.00 0.00 N ATOM 1112 CA LYS A 59 29.541 2.513 -14.340 1.00 0.00 C ATOM 1113 C LYS A 59 30.653 1.872 -15.188 1.00 0.00 C ATOM 1114 O LYS A 59 31.709 2.467 -15.390 1.00 0.00 O ATOM 1115 CB LYS A 59 29.612 1.955 -12.912 1.00 0.00 C ATOM 1116 CG LYS A 59 29.133 3.020 -11.924 1.00 0.00 C ATOM 1117 CD LYS A 59 29.186 2.457 -10.503 1.00 0.00 C ATOM 1118 CE LYS A 59 30.543 2.777 -9.877 1.00 0.00 C ATOM 1119 NZ LYS A 59 30.451 4.057 -9.119 1.00 0.00 N ATOM 0 H LYS A 59 27.524 1.779 -14.325 1.00 0.00 H new ATOM 0 HA LYS A 59 29.675 3.594 -14.309 1.00 0.00 H new ATOM 0 HB2 LYS A 59 28.993 1.061 -12.828 1.00 0.00 H new ATOM 0 HB3 LYS A 59 30.634 1.658 -12.676 1.00 0.00 H new ATOM 0 HG2 LYS A 59 29.760 3.909 -11.998 1.00 0.00 H new ATOM 0 HG3 LYS A 59 28.116 3.326 -12.168 1.00 0.00 H new ATOM 0 HD2 LYS A 59 28.386 2.886 -9.900 1.00 0.00 H new ATOM 0 HD3 LYS A 59 29.028 1.379 -10.522 1.00 0.00 H new ATOM 0 HE2 LYS A 59 30.848 1.969 -9.212 1.00 0.00 H new ATOM 0 HE3 LYS A 59 31.304 2.856 -10.653 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 31.374 4.275 -8.693 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 30.178 4.824 -9.766 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 29.736 3.966 -8.369 1.00 0.00 H new ATOM 1120 N GLU A 60 30.440 0.675 -15.693 1.00 0.00 N ATOM 1121 CA GLU A 60 31.489 0.023 -16.522 1.00 0.00 C ATOM 1122 C GLU A 60 30.879 -0.430 -17.858 1.00 0.00 C ATOM 1123 O GLU A 60 29.663 -0.586 -17.973 1.00 0.00 O ATOM 1124 CB GLU A 60 32.051 -1.191 -15.778 1.00 0.00 C ATOM 1125 CG GLU A 60 33.520 -1.386 -16.156 1.00 0.00 C ATOM 1126 CD GLU A 60 34.182 -2.340 -15.161 1.00 0.00 C ATOM 1127 OE1 GLU A 60 34.140 -2.053 -13.976 1.00 0.00 O ATOM 1128 OE2 GLU A 60 34.719 -3.344 -15.601 1.00 0.00 O ATOM 0 H GLU A 60 29.587 0.131 -15.563 1.00 0.00 H new ATOM 0 HA GLU A 60 32.293 0.734 -16.712 1.00 0.00 H new ATOM 0 HB2 GLU A 60 31.958 -1.046 -14.702 1.00 0.00 H new ATOM 0 HB3 GLU A 60 31.478 -2.083 -16.031 1.00 0.00 H new ATOM 0 HG2 GLU A 60 33.596 -1.788 -17.166 1.00 0.00 H new ATOM 0 HG3 GLU A 60 34.037 -0.426 -16.155 1.00 0.00 H new ATOM 1129 N VAL A 61 31.691 -0.646 -18.870 1.00 0.00 N ATOM 1130 CA VAL A 61 31.131 -1.091 -20.189 1.00 0.00 C ATOM 1131 C VAL A 61 30.550 -2.509 -20.062 1.00 0.00 C ATOM 1132 O VAL A 61 29.557 -2.833 -20.706 1.00 0.00 O ATOM 1133 CB VAL A 61 32.228 -1.087 -21.266 1.00 0.00 C ATOM 1134 CG1 VAL A 61 31.615 -1.441 -22.626 1.00 0.00 C ATOM 1135 CG2 VAL A 61 32.874 0.303 -21.340 1.00 0.00 C ATOM 0 H VAL A 61 32.705 -0.535 -18.841 1.00 0.00 H new ATOM 0 HA VAL A 61 30.342 -0.398 -20.480 1.00 0.00 H new ATOM 0 HB VAL A 61 32.988 -1.825 -21.008 1.00 0.00 H new ATOM 0 HG11 VAL A 61 32.394 -1.438 -23.388 1.00 0.00 H new ATOM 0 HG12 VAL A 61 31.162 -2.431 -22.574 1.00 0.00 H new ATOM 0 HG13 VAL A 61 30.852 -0.706 -22.884 1.00 0.00 H new ATOM 0 HG21 VAL A 61 33.651 0.303 -22.104 1.00 0.00 H new ATOM 0 HG22 VAL A 61 32.116 1.044 -21.594 1.00 0.00 H new ATOM 0 HG23 VAL A 61 33.315 0.551 -20.374 1.00 0.00 H new ATOM 1136 N SER A 62 31.144 -3.364 -19.257 1.00 0.00 N ATOM 1137 CA SER A 62 30.599 -4.756 -19.119 1.00 0.00 C ATOM 1138 C SER A 62 29.161 -4.704 -18.576 1.00 0.00 C ATOM 1139 O SER A 62 28.312 -5.493 -18.982 1.00 0.00 O ATOM 1140 CB SER A 62 31.469 -5.579 -18.160 1.00 0.00 C ATOM 1141 OG SER A 62 31.326 -5.069 -16.841 1.00 0.00 O ATOM 0 H SER A 62 31.972 -3.161 -18.697 1.00 0.00 H new ATOM 0 HA SER A 62 30.604 -5.227 -20.102 1.00 0.00 H new ATOM 0 HB2 SER A 62 31.173 -6.627 -18.191 1.00 0.00 H new ATOM 0 HB3 SER A 62 32.513 -5.534 -18.469 1.00 0.00 H new ATOM 0 HG SER A 62 31.879 -5.594 -16.226 1.00 0.00 H new ATOM 1142 N SER A 63 28.863 -3.804 -17.661 1.00 0.00 N ATOM 1143 CA SER A 63 27.468 -3.738 -17.106 1.00 0.00 C ATOM 1144 C SER A 63 26.453 -3.480 -18.237 1.00 0.00 C ATOM 1145 O SER A 63 25.331 -3.986 -18.195 1.00 0.00 O ATOM 1146 CB SER A 63 27.358 -2.613 -16.070 1.00 0.00 C ATOM 1147 OG SER A 63 28.576 -2.525 -15.341 1.00 0.00 O ATOM 0 H SER A 63 29.517 -3.121 -17.279 1.00 0.00 H new ATOM 0 HA SER A 63 27.247 -4.693 -16.630 1.00 0.00 H new ATOM 0 HB2 SER A 63 27.148 -1.665 -16.566 1.00 0.00 H new ATOM 0 HB3 SER A 63 26.528 -2.808 -15.391 1.00 0.00 H new ATOM 0 HG SER A 63 28.510 -1.806 -14.679 1.00 0.00 H new ATOM 1148 N ALA A 64 26.810 -2.714 -19.248 1.00 0.00 N ATOM 1149 CA ALA A 64 25.841 -2.453 -20.359 1.00 0.00 C ATOM 1150 C ALA A 64 25.763 -3.682 -21.280 1.00 0.00 C ATOM 1151 O ALA A 64 24.727 -3.936 -21.893 1.00 0.00 O ATOM 1152 CB ALA A 64 26.282 -1.224 -21.176 1.00 0.00 C ATOM 0 H ALA A 64 27.720 -2.265 -19.348 1.00 0.00 H new ATOM 0 HA ALA A 64 24.859 -2.258 -19.928 1.00 0.00 H new ATOM 0 HB1 ALA A 64 25.568 -1.046 -21.980 1.00 0.00 H new ATOM 0 HB2 ALA A 64 26.321 -0.350 -20.526 1.00 0.00 H new ATOM 0 HB3 ALA A 64 27.269 -1.405 -21.601 1.00 0.00 H new ATOM 1153 N THR A 65 26.827 -4.449 -21.402 1.00 0.00 N ATOM 1154 CA THR A 65 26.773 -5.645 -22.296 1.00 0.00 C ATOM 1155 C THR A 65 25.743 -6.648 -21.762 1.00 0.00 C ATOM 1156 O THR A 65 24.998 -7.245 -22.532 1.00 0.00 O ATOM 1157 CB THR A 65 28.148 -6.324 -22.375 1.00 0.00 C ATOM 1158 OG1 THR A 65 29.153 -5.338 -22.563 1.00 0.00 O ATOM 1159 CG2 THR A 65 28.165 -7.304 -23.549 1.00 0.00 C ATOM 0 H THR A 65 27.716 -4.297 -20.926 1.00 0.00 H new ATOM 0 HA THR A 65 26.483 -5.315 -23.294 1.00 0.00 H new ATOM 0 HB THR A 65 28.341 -6.865 -21.449 1.00 0.00 H new ATOM 0 HG1 THR A 65 30.031 -5.771 -22.612 1.00 0.00 H new ATOM 0 HG21 THR A 65 29.141 -7.787 -23.606 1.00 0.00 H new ATOM 0 HG22 THR A 65 27.394 -8.060 -23.403 1.00 0.00 H new ATOM 0 HG23 THR A 65 27.972 -6.764 -24.476 1.00 0.00 H new ATOM 1160 N ASN A 66 25.681 -6.853 -20.464 1.00 0.00 N ATOM 1161 CA ASN A 66 24.685 -7.830 -19.914 1.00 0.00 C ATOM 1162 C ASN A 66 23.276 -7.224 -19.999 1.00 0.00 C ATOM 1163 O ASN A 66 22.317 -7.914 -20.337 1.00 0.00 O ATOM 1164 CB ASN A 66 25.010 -8.154 -18.449 1.00 0.00 C ATOM 1165 CG ASN A 66 26.254 -9.048 -18.387 1.00 0.00 C ATOM 1166 OD1 ASN A 66 27.254 -8.680 -17.774 1.00 0.00 O ATOM 1167 ND2 ASN A 66 26.254 -10.213 -18.989 1.00 0.00 N ATOM 0 H ASN A 66 26.270 -6.392 -19.770 1.00 0.00 H new ATOM 0 HA ASN A 66 24.731 -8.748 -20.499 1.00 0.00 H new ATOM 0 HB2 ASN A 66 25.183 -7.233 -17.891 1.00 0.00 H new ATOM 0 HB3 ASN A 66 24.164 -8.657 -17.980 1.00 0.00 H new ATOM 0 HD21 ASN A 66 27.081 -10.809 -18.947 1.00 0.00 H new ATOM 0 HD22 ASN A 66 25.427 -10.523 -19.499 1.00 0.00 H new ATOM 1168 N ALA A 67 23.124 -5.952 -19.701 1.00 0.00 N ATOM 1169 CA ALA A 67 21.760 -5.328 -19.774 1.00 0.00 C ATOM 1170 C ALA A 67 21.188 -5.430 -21.203 1.00 0.00 C ATOM 1171 O ALA A 67 19.971 -5.413 -21.384 1.00 0.00 O ATOM 1172 CB ALA A 67 21.832 -3.847 -19.376 1.00 0.00 C ATOM 0 H ALA A 67 23.876 -5.325 -19.414 1.00 0.00 H new ATOM 0 HA ALA A 67 21.109 -5.866 -19.085 1.00 0.00 H new ATOM 0 HB1 ALA A 67 20.837 -3.406 -19.433 1.00 0.00 H new ATOM 0 HB2 ALA A 67 22.209 -3.762 -18.357 1.00 0.00 H new ATOM 0 HB3 ALA A 67 22.502 -3.320 -20.055 1.00 0.00 H new ATOM 1173 N LEU A 68 22.017 -5.518 -22.226 1.00 0.00 N ATOM 1174 CA LEU A 68 21.474 -5.598 -23.620 1.00 0.00 C ATOM 1175 C LEU A 68 21.165 -7.059 -23.994 1.00 0.00 C ATOM 1176 O LEU A 68 20.178 -7.332 -24.675 1.00 0.00 O ATOM 1177 CB LEU A 68 22.497 -5.026 -24.606 1.00 0.00 C ATOM 1178 CG LEU A 68 21.768 -4.333 -25.759 1.00 0.00 C ATOM 1179 CD1 LEU A 68 22.557 -3.097 -26.195 1.00 0.00 C ATOM 1180 CD2 LEU A 68 21.645 -5.300 -26.939 1.00 0.00 C ATOM 0 H LEU A 68 23.034 -5.537 -22.153 1.00 0.00 H new ATOM 0 HA LEU A 68 20.552 -5.018 -23.669 1.00 0.00 H new ATOM 0 HB2 LEU A 68 23.150 -4.317 -24.097 1.00 0.00 H new ATOM 0 HB3 LEU A 68 23.131 -5.824 -24.991 1.00 0.00 H new ATOM 0 HG LEU A 68 20.774 -4.031 -25.429 1.00 0.00 H new ATOM 0 HD11 LEU A 68 22.037 -2.604 -27.016 1.00 0.00 H new ATOM 0 HD12 LEU A 68 22.646 -2.407 -25.356 1.00 0.00 H new ATOM 0 HD13 LEU A 68 23.552 -3.398 -26.524 1.00 0.00 H new ATOM 0 HD21 LEU A 68 21.126 -4.807 -27.761 1.00 0.00 H new ATOM 0 HD22 LEU A 68 22.640 -5.602 -27.267 1.00 0.00 H new ATOM 0 HD23 LEU A 68 21.082 -6.181 -26.630 1.00 0.00 H new ATOM 1181 N ARG A 69 21.980 -8.005 -23.578 1.00 0.00 N ATOM 1182 CA ARG A 69 21.701 -9.435 -23.939 1.00 0.00 C ATOM 1183 C ARG A 69 20.320 -9.838 -23.400 1.00 0.00 C ATOM 1184 O ARG A 69 19.564 -10.542 -24.068 1.00 0.00 O ATOM 1185 CB ARG A 69 22.765 -10.369 -23.338 1.00 0.00 C ATOM 1186 CG ARG A 69 24.149 -10.039 -23.914 1.00 0.00 C ATOM 1187 CD ARG A 69 24.155 -10.218 -25.436 1.00 0.00 C ATOM 1188 NE ARG A 69 25.238 -11.167 -25.820 1.00 0.00 N ATOM 1189 CZ ARG A 69 25.029 -12.052 -26.756 1.00 0.00 C ATOM 1190 NH1 ARG A 69 24.128 -12.981 -26.589 1.00 0.00 N ATOM 1191 NH2 ARG A 69 25.723 -12.009 -27.861 1.00 0.00 N ATOM 0 H ARG A 69 22.815 -7.851 -23.012 1.00 0.00 H new ATOM 0 HA ARG A 69 21.725 -9.527 -25.025 1.00 0.00 H new ATOM 0 HB2 ARG A 69 22.780 -10.264 -22.253 1.00 0.00 H new ATOM 0 HB3 ARG A 69 22.512 -11.407 -23.554 1.00 0.00 H new ATOM 0 HG2 ARG A 69 24.419 -9.014 -23.662 1.00 0.00 H new ATOM 0 HG3 ARG A 69 24.901 -10.687 -23.463 1.00 0.00 H new ATOM 0 HD2 ARG A 69 23.189 -10.596 -25.772 1.00 0.00 H new ATOM 0 HD3 ARG A 69 24.309 -9.256 -25.925 1.00 0.00 H new ATOM 0 HE ARG A 69 26.143 -11.125 -25.351 1.00 0.00 H new ATOM 0 HH11 ARG A 69 23.586 -13.016 -25.726 1.00 0.00 H new ATOM 0 HH12 ARG A 69 23.966 -13.672 -27.322 1.00 0.00 H new ATOM 0 HH21 ARG A 69 26.428 -11.284 -27.992 1.00 0.00 H new ATOM 0 HH22 ARG A 69 25.560 -12.701 -28.593 1.00 0.00 H new ATOM 1192 N SER A 70 19.972 -9.412 -22.207 1.00 0.00 N ATOM 1193 CA SER A 70 18.638 -9.781 -21.640 1.00 0.00 C ATOM 1194 C SER A 70 17.553 -8.795 -22.115 1.00 0.00 C ATOM 1195 O SER A 70 16.378 -9.154 -22.188 1.00 0.00 O ATOM 1196 CB SER A 70 18.699 -9.765 -20.109 1.00 0.00 C ATOM 1197 OG SER A 70 18.349 -8.471 -19.637 1.00 0.00 O ATOM 0 H SER A 70 20.553 -8.828 -21.606 1.00 0.00 H new ATOM 0 HA SER A 70 18.384 -10.782 -21.988 1.00 0.00 H new ATOM 0 HB2 SER A 70 18.018 -10.510 -19.699 1.00 0.00 H new ATOM 0 HB3 SER A 70 19.701 -10.029 -19.771 1.00 0.00 H new ATOM 0 HG SER A 70 17.926 -8.547 -18.756 1.00 0.00 H new ATOM 1198 N MET A 71 17.900 -7.561 -22.438 1.00 0.00 N ATOM 1199 CA MET A 71 16.856 -6.595 -22.895 1.00 0.00 C ATOM 1200 C MET A 71 16.888 -6.459 -24.428 1.00 0.00 C ATOM 1201 O MET A 71 16.611 -5.386 -24.963 1.00 0.00 O ATOM 1202 CB MET A 71 17.113 -5.227 -22.260 1.00 0.00 C ATOM 1203 CG MET A 71 16.947 -5.329 -20.741 1.00 0.00 C ATOM 1204 SD MET A 71 15.205 -5.618 -20.344 1.00 0.00 S ATOM 1205 CE MET A 71 14.648 -3.904 -20.506 1.00 0.00 C ATOM 0 H MET A 71 18.851 -7.193 -22.403 1.00 0.00 H new ATOM 0 HA MET A 71 15.877 -6.966 -22.592 1.00 0.00 H new ATOM 0 HB2 MET A 71 18.118 -4.884 -22.504 1.00 0.00 H new ATOM 0 HB3 MET A 71 16.418 -4.491 -22.664 1.00 0.00 H new ATOM 0 HG2 MET A 71 17.560 -6.142 -20.351 1.00 0.00 H new ATOM 0 HG3 MET A 71 17.293 -4.412 -20.264 1.00 0.00 H new ATOM 0 HE1 MET A 71 13.959 -3.667 -19.695 1.00 0.00 H new ATOM 0 HE2 MET A 71 15.508 -3.236 -20.458 1.00 0.00 H new ATOM 0 HE3 MET A 71 14.141 -3.775 -21.462 1.00 0.00 H new ATOM 1206 N GLN A 72 17.203 -7.514 -25.153 1.00 0.00 N ATOM 1207 CA GLN A 72 17.223 -7.406 -26.645 1.00 0.00 C ATOM 1208 C GLN A 72 15.777 -7.463 -27.156 1.00 0.00 C ATOM 1209 O GLN A 72 15.199 -8.542 -27.285 1.00 0.00 O ATOM 1210 CB GLN A 72 18.030 -8.563 -27.251 1.00 0.00 C ATOM 1211 CG GLN A 72 18.094 -8.408 -28.773 1.00 0.00 C ATOM 1212 CD GLN A 72 19.308 -7.551 -29.151 1.00 0.00 C ATOM 1213 OE1 GLN A 72 20.384 -8.081 -29.423 1.00 0.00 O ATOM 1214 NE2 GLN A 72 19.202 -6.245 -29.187 1.00 0.00 N ATOM 0 H GLN A 72 17.443 -8.431 -24.778 1.00 0.00 H new ATOM 0 HA GLN A 72 17.691 -6.466 -26.939 1.00 0.00 H new ATOM 0 HB2 GLN A 72 19.037 -8.574 -26.834 1.00 0.00 H new ATOM 0 HB3 GLN A 72 17.568 -9.516 -26.992 1.00 0.00 H new ATOM 0 HG2 GLN A 72 18.166 -9.387 -29.246 1.00 0.00 H new ATOM 0 HG3 GLN A 72 17.179 -7.943 -29.140 1.00 0.00 H new ATOM 0 HE21 GLN A 72 18.312 -5.799 -28.963 1.00 0.00 H new ATOM 0 HE22 GLN A 72 20.009 -5.675 -29.440 1.00 0.00 H new ATOM 1215 N GLY A 73 15.169 -6.329 -27.436 1.00 0.00 N ATOM 1216 CA GLY A 73 13.758 -6.345 -27.917 1.00 0.00 C ATOM 1217 C GLY A 73 12.838 -6.654 -26.727 1.00 0.00 C ATOM 1218 O GLY A 73 12.262 -7.739 -26.642 1.00 0.00 O ATOM 0 H GLY A 73 15.590 -5.404 -27.351 1.00 0.00 H new ATOM 0 HA2 GLY A 73 13.497 -5.382 -28.357 1.00 0.00 H new ATOM 0 HA3 GLY A 73 13.633 -7.096 -28.697 1.00 0.00 H new ATOM 1219 N PHE A 74 12.694 -5.734 -25.796 1.00 0.00 N ATOM 1220 CA PHE A 74 11.822 -6.004 -24.615 1.00 0.00 C ATOM 1221 C PHE A 74 10.607 -5.057 -24.634 1.00 0.00 C ATOM 1222 O PHE A 74 10.613 -4.063 -25.358 1.00 0.00 O ATOM 1223 CB PHE A 74 12.627 -5.781 -23.327 1.00 0.00 C ATOM 1224 CG PHE A 74 12.844 -7.102 -22.624 1.00 0.00 C ATOM 1225 CD1 PHE A 74 13.395 -8.184 -23.322 1.00 0.00 C ATOM 1226 CD2 PHE A 74 12.497 -7.242 -21.275 1.00 0.00 C ATOM 1227 CE1 PHE A 74 13.596 -9.407 -22.672 1.00 0.00 C ATOM 1228 CE2 PHE A 74 12.699 -8.466 -20.625 1.00 0.00 C ATOM 1229 CZ PHE A 74 13.248 -9.548 -21.322 1.00 0.00 C ATOM 0 H PHE A 74 13.141 -4.817 -25.807 1.00 0.00 H new ATOM 0 HA PHE A 74 11.471 -7.035 -24.654 1.00 0.00 H new ATOM 0 HB2 PHE A 74 13.587 -5.322 -23.562 1.00 0.00 H new ATOM 0 HB3 PHE A 74 12.096 -5.092 -22.670 1.00 0.00 H new ATOM 0 HD1 PHE A 74 13.665 -8.075 -24.362 1.00 0.00 H new ATOM 0 HD2 PHE A 74 12.074 -6.407 -20.736 1.00 0.00 H new ATOM 0 HE1 PHE A 74 14.019 -10.242 -23.211 1.00 0.00 H new ATOM 0 HE2 PHE A 74 12.431 -8.575 -19.585 1.00 0.00 H new ATOM 0 HZ PHE A 74 13.403 -10.491 -20.820 1.00 0.00 H new ATOM 1230 N PRO A 75 9.593 -5.376 -23.843 1.00 0.00 N ATOM 1231 CA PRO A 75 8.373 -4.553 -23.767 1.00 0.00 C ATOM 1232 C PRO A 75 8.598 -3.329 -22.861 1.00 0.00 C ATOM 1233 O PRO A 75 8.798 -3.466 -21.656 1.00 0.00 O ATOM 1234 CB PRO A 75 7.337 -5.496 -23.150 1.00 0.00 C ATOM 1235 CG PRO A 75 8.130 -6.582 -22.387 1.00 0.00 C ATOM 1236 CD PRO A 75 9.557 -6.573 -22.964 1.00 0.00 C ATOM 0 HA PRO A 75 8.066 -4.162 -24.737 1.00 0.00 H new ATOM 0 HB2 PRO A 75 6.673 -4.955 -22.476 1.00 0.00 H new ATOM 0 HB3 PRO A 75 6.711 -5.943 -23.922 1.00 0.00 H new ATOM 0 HG2 PRO A 75 8.143 -6.372 -21.317 1.00 0.00 H new ATOM 0 HG3 PRO A 75 7.667 -7.561 -22.514 1.00 0.00 H new ATOM 0 HD2 PRO A 75 10.305 -6.508 -22.174 1.00 0.00 H new ATOM 0 HD3 PRO A 75 9.764 -7.484 -23.525 1.00 0.00 H new ATOM 1237 N PHE A 76 8.560 -2.137 -23.412 1.00 0.00 N ATOM 1238 CA PHE A 76 8.759 -0.918 -22.582 1.00 0.00 C ATOM 1239 C PHE A 76 7.619 0.066 -22.883 1.00 0.00 C ATOM 1240 O PHE A 76 7.500 0.563 -24.001 1.00 0.00 O ATOM 1241 CB PHE A 76 10.108 -0.277 -22.933 1.00 0.00 C ATOM 1242 CG PHE A 76 10.867 0.063 -21.668 1.00 0.00 C ATOM 1243 CD1 PHE A 76 11.027 -0.900 -20.663 1.00 0.00 C ATOM 1244 CD2 PHE A 76 11.412 1.343 -21.502 1.00 0.00 C ATOM 1245 CE1 PHE A 76 11.730 -0.584 -19.494 1.00 0.00 C ATOM 1246 CE2 PHE A 76 12.113 1.659 -20.332 1.00 0.00 C ATOM 1247 CZ PHE A 76 12.273 0.696 -19.329 1.00 0.00 C ATOM 0 H PHE A 76 8.399 -1.962 -24.404 1.00 0.00 H new ATOM 0 HA PHE A 76 8.756 -1.176 -21.523 1.00 0.00 H new ATOM 0 HB2 PHE A 76 10.695 -0.960 -23.546 1.00 0.00 H new ATOM 0 HB3 PHE A 76 9.948 0.625 -23.524 1.00 0.00 H new ATOM 0 HD1 PHE A 76 10.608 -1.887 -20.790 1.00 0.00 H new ATOM 0 HD2 PHE A 76 11.291 2.086 -22.277 1.00 0.00 H new ATOM 0 HE1 PHE A 76 11.853 -1.327 -18.720 1.00 0.00 H new ATOM 0 HE2 PHE A 76 12.531 2.647 -20.203 1.00 0.00 H new ATOM 0 HZ PHE A 76 12.815 0.940 -18.428 1.00 0.00 H new ATOM 1248 N TYR A 77 6.772 0.349 -21.918 1.00 0.00 N ATOM 1249 CA TYR A 77 5.642 1.291 -22.164 1.00 0.00 C ATOM 1250 C TYR A 77 4.742 0.747 -23.286 1.00 0.00 C ATOM 1251 O TYR A 77 4.290 1.494 -24.151 1.00 0.00 O ATOM 1252 CB TYR A 77 6.193 2.668 -22.546 1.00 0.00 C ATOM 1253 CG TYR A 77 6.862 3.271 -21.338 1.00 0.00 C ATOM 1254 CD1 TYR A 77 8.202 2.975 -21.058 1.00 0.00 C ATOM 1255 CD2 TYR A 77 6.140 4.116 -20.488 1.00 0.00 C ATOM 1256 CE1 TYR A 77 8.818 3.524 -19.930 1.00 0.00 C ATOM 1257 CE2 TYR A 77 6.755 4.664 -19.357 1.00 0.00 C ATOM 1258 CZ TYR A 77 8.095 4.367 -19.079 1.00 0.00 C ATOM 1259 OH TYR A 77 8.701 4.901 -17.965 1.00 0.00 O ATOM 0 H TYR A 77 6.819 -0.034 -20.974 1.00 0.00 H new ATOM 0 HA TYR A 77 5.048 1.387 -21.255 1.00 0.00 H new ATOM 0 HB2 TYR A 77 6.905 2.576 -23.366 1.00 0.00 H new ATOM 0 HB3 TYR A 77 5.387 3.314 -22.894 1.00 0.00 H new ATOM 0 HD1 TYR A 77 8.759 2.322 -21.714 1.00 0.00 H new ATOM 0 HD2 TYR A 77 5.107 4.345 -20.705 1.00 0.00 H new ATOM 0 HE1 TYR A 77 9.852 3.298 -19.715 1.00 0.00 H new ATOM 0 HE2 TYR A 77 6.197 5.315 -18.700 1.00 0.00 H new ATOM 0 HH TYR A 77 8.017 5.156 -17.311 1.00 0.00 H new ATOM 1260 N ASP A 78 4.456 -0.538 -23.280 1.00 0.00 N ATOM 1261 CA ASP A 78 3.569 -1.120 -24.333 1.00 0.00 C ATOM 1262 C ASP A 78 4.158 -0.882 -25.735 1.00 0.00 C ATOM 1263 O ASP A 78 3.602 -0.123 -26.530 1.00 0.00 O ATOM 1264 CB ASP A 78 2.186 -0.468 -24.244 1.00 0.00 C ATOM 1265 CG ASP A 78 1.318 -1.246 -23.253 1.00 0.00 C ATOM 1266 OD1 ASP A 78 1.731 -1.381 -22.113 1.00 0.00 O ATOM 1267 OD2 ASP A 78 0.255 -1.693 -23.651 1.00 0.00 O ATOM 0 H ASP A 78 4.801 -1.205 -22.590 1.00 0.00 H new ATOM 0 HA ASP A 78 3.488 -2.194 -24.169 1.00 0.00 H new ATOM 0 HB2 ASP A 78 2.281 0.570 -23.924 1.00 0.00 H new ATOM 0 HB3 ASP A 78 1.714 -0.456 -25.226 1.00 0.00 H new ATOM 1268 N LYS A 79 5.259 -1.525 -26.070 1.00 0.00 N ATOM 1269 CA LYS A 79 5.848 -1.332 -27.437 1.00 0.00 C ATOM 1270 C LYS A 79 7.136 -2.172 -27.586 1.00 0.00 C ATOM 1271 O LYS A 79 7.915 -2.258 -26.642 1.00 0.00 O ATOM 1272 CB LYS A 79 6.190 0.146 -27.649 1.00 0.00 C ATOM 1273 CG LYS A 79 5.959 0.516 -29.116 1.00 0.00 C ATOM 1274 CD LYS A 79 5.799 2.032 -29.244 1.00 0.00 C ATOM 1275 CE LYS A 79 6.087 2.456 -30.686 1.00 0.00 C ATOM 1276 NZ LYS A 79 4.828 2.397 -31.482 1.00 0.00 N ATOM 0 H LYS A 79 5.768 -2.167 -25.462 1.00 0.00 H new ATOM 0 HA LYS A 79 5.118 -1.653 -28.180 1.00 0.00 H new ATOM 0 HB2 LYS A 79 5.572 0.770 -27.003 1.00 0.00 H new ATOM 0 HB3 LYS A 79 7.228 0.333 -27.374 1.00 0.00 H new ATOM 0 HG2 LYS A 79 6.798 0.176 -29.724 1.00 0.00 H new ATOM 0 HG3 LYS A 79 5.068 0.013 -29.492 1.00 0.00 H new ATOM 0 HD2 LYS A 79 4.788 2.327 -28.962 1.00 0.00 H new ATOM 0 HD3 LYS A 79 6.481 2.539 -28.562 1.00 0.00 H new ATOM 0 HE2 LYS A 79 6.495 3.467 -30.705 1.00 0.00 H new ATOM 0 HE3 LYS A 79 6.839 1.801 -31.126 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 5.023 2.685 -32.462 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 4.457 1.425 -31.474 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 4.124 3.039 -31.066 1.00 0.00 H new ATOM 1277 N PRO A 80 7.356 -2.768 -28.746 1.00 0.00 N ATOM 1278 CA PRO A 80 8.564 -3.581 -28.975 1.00 0.00 C ATOM 1279 C PRO A 80 9.765 -2.661 -29.239 1.00 0.00 C ATOM 1280 O PRO A 80 9.794 -1.942 -30.237 1.00 0.00 O ATOM 1281 CB PRO A 80 8.220 -4.404 -30.219 1.00 0.00 C ATOM 1282 CG PRO A 80 7.103 -3.631 -30.959 1.00 0.00 C ATOM 1283 CD PRO A 80 6.452 -2.698 -29.922 1.00 0.00 C ATOM 0 HA PRO A 80 8.833 -4.209 -28.126 1.00 0.00 H new ATOM 0 HB2 PRO A 80 9.095 -4.528 -30.857 1.00 0.00 H new ATOM 0 HB3 PRO A 80 7.883 -5.403 -29.943 1.00 0.00 H new ATOM 0 HG2 PRO A 80 7.514 -3.059 -31.791 1.00 0.00 H new ATOM 0 HG3 PRO A 80 6.368 -4.319 -31.377 1.00 0.00 H new ATOM 0 HD2 PRO A 80 6.370 -1.679 -30.300 1.00 0.00 H new ATOM 0 HD3 PRO A 80 5.444 -3.027 -29.669 1.00 0.00 H new ATOM 1284 N MET A 81 10.755 -2.654 -28.369 1.00 0.00 N ATOM 1285 CA MET A 81 11.926 -1.759 -28.599 1.00 0.00 C ATOM 1286 C MET A 81 13.235 -2.565 -28.561 1.00 0.00 C ATOM 1287 O MET A 81 13.509 -3.289 -27.605 1.00 0.00 O ATOM 1288 CB MET A 81 11.963 -0.663 -27.524 1.00 0.00 C ATOM 1289 CG MET A 81 11.851 -1.285 -26.129 1.00 0.00 C ATOM 1290 SD MET A 81 12.855 -0.328 -24.964 1.00 0.00 S ATOM 1291 CE MET A 81 13.706 -1.722 -24.184 1.00 0.00 C ATOM 0 H MET A 81 10.797 -3.223 -27.524 1.00 0.00 H new ATOM 0 HA MET A 81 11.825 -1.300 -29.582 1.00 0.00 H new ATOM 0 HB2 MET A 81 12.891 -0.097 -27.604 1.00 0.00 H new ATOM 0 HB3 MET A 81 11.145 0.040 -27.683 1.00 0.00 H new ATOM 0 HG2 MET A 81 10.810 -1.296 -25.806 1.00 0.00 H new ATOM 0 HG3 MET A 81 12.189 -2.321 -26.152 1.00 0.00 H new ATOM 0 HE1 MET A 81 14.388 -1.350 -23.419 1.00 0.00 H new ATOM 0 HE2 MET A 81 12.973 -2.385 -23.725 1.00 0.00 H new ATOM 0 HE3 MET A 81 14.271 -2.271 -24.937 1.00 0.00 H new ATOM 1292 N ARG A 82 14.060 -2.443 -29.581 1.00 0.00 N ATOM 1293 CA ARG A 82 15.352 -3.186 -29.589 1.00 0.00 C ATOM 1294 C ARG A 82 16.456 -2.250 -29.089 1.00 0.00 C ATOM 1295 O ARG A 82 16.405 -1.042 -29.320 1.00 0.00 O ATOM 1296 CB ARG A 82 15.676 -3.648 -31.013 1.00 0.00 C ATOM 1297 CG ARG A 82 15.226 -5.100 -31.196 1.00 0.00 C ATOM 1298 CD ARG A 82 13.768 -5.130 -31.656 1.00 0.00 C ATOM 1299 NE ARG A 82 13.543 -6.325 -32.516 1.00 0.00 N ATOM 1300 CZ ARG A 82 13.365 -7.498 -31.971 1.00 0.00 C ATOM 1301 NH1 ARG A 82 14.387 -8.164 -31.509 1.00 0.00 N ATOM 1302 NH2 ARG A 82 12.165 -8.003 -31.888 1.00 0.00 N ATOM 0 H ARG A 82 13.889 -1.862 -30.401 1.00 0.00 H new ATOM 0 HA ARG A 82 15.281 -4.060 -28.942 1.00 0.00 H new ATOM 0 HB2 ARG A 82 15.174 -3.007 -31.737 1.00 0.00 H new ATOM 0 HB3 ARG A 82 16.746 -3.562 -31.199 1.00 0.00 H new ATOM 0 HG2 ARG A 82 15.860 -5.598 -31.930 1.00 0.00 H new ATOM 0 HG3 ARG A 82 15.334 -5.646 -30.259 1.00 0.00 H new ATOM 0 HD2 ARG A 82 13.104 -5.160 -30.792 1.00 0.00 H new ATOM 0 HD3 ARG A 82 13.531 -4.221 -32.209 1.00 0.00 H new ATOM 0 HE ARG A 82 13.528 -6.227 -33.531 1.00 0.00 H new ATOM 0 HH11 ARG A 82 15.325 -7.768 -31.574 1.00 0.00 H new ATOM 0 HH12 ARG A 82 14.248 -9.080 -31.083 1.00 0.00 H new ATOM 0 HH21 ARG A 82 11.366 -7.481 -32.249 1.00 0.00 H new ATOM 0 HH22 ARG A 82 12.026 -8.919 -31.462 1.00 0.00 H new ATOM 1303 N ILE A 83 17.449 -2.765 -28.399 1.00 0.00 N ATOM 1304 CA ILE A 83 18.529 -1.875 -27.887 1.00 0.00 C ATOM 1305 C ILE A 83 19.805 -2.045 -28.725 1.00 0.00 C ATOM 1306 O ILE A 83 20.224 -3.160 -29.025 1.00 0.00 O ATOM 1307 CB ILE A 83 18.826 -2.220 -26.428 1.00 0.00 C ATOM 1308 CG1 ILE A 83 17.533 -2.128 -25.615 1.00 0.00 C ATOM 1309 CG2 ILE A 83 19.854 -1.232 -25.867 1.00 0.00 C ATOM 1310 CD1 ILE A 83 17.798 -2.580 -24.180 1.00 0.00 C ATOM 0 H ILE A 83 17.553 -3.754 -28.173 1.00 0.00 H new ATOM 0 HA ILE A 83 18.196 -0.840 -27.960 1.00 0.00 H new ATOM 0 HB ILE A 83 19.227 -3.232 -26.366 1.00 0.00 H new ATOM 0 HG12 ILE A 83 17.159 -1.104 -25.622 1.00 0.00 H new ATOM 0 HG13 ILE A 83 16.762 -2.752 -26.067 1.00 0.00 H new ATOM 0 HG21 ILE A 83 20.065 -1.479 -24.826 1.00 0.00 H new ATOM 0 HG22 ILE A 83 20.774 -1.294 -26.449 1.00 0.00 H new ATOM 0 HG23 ILE A 83 19.455 -0.219 -25.926 1.00 0.00 H new ATOM 0 HD11 ILE A 83 16.876 -2.514 -23.602 1.00 0.00 H new ATOM 0 HD12 ILE A 83 18.152 -3.611 -24.183 1.00 0.00 H new ATOM 0 HD13 ILE A 83 18.555 -1.938 -23.730 1.00 0.00 H new ATOM 1311 N GLN A 84 20.439 -0.954 -29.097 1.00 0.00 N ATOM 1312 CA GLN A 84 21.690 -1.047 -29.899 1.00 0.00 C ATOM 1313 C GLN A 84 22.773 -0.208 -29.207 1.00 0.00 C ATOM 1314 O GLN A 84 22.511 0.912 -28.774 1.00 0.00 O ATOM 1315 CB GLN A 84 21.445 -0.495 -31.307 1.00 0.00 C ATOM 1316 CG GLN A 84 20.227 -1.183 -31.936 1.00 0.00 C ATOM 1317 CD GLN A 84 19.345 -0.135 -32.630 1.00 0.00 C ATOM 1318 OE1 GLN A 84 19.035 -0.269 -33.812 1.00 0.00 O ATOM 1319 NE2 GLN A 84 18.918 0.909 -31.961 1.00 0.00 N ATOM 0 H GLN A 84 20.138 -0.005 -28.876 1.00 0.00 H new ATOM 0 HA GLN A 84 22.006 -2.087 -29.975 1.00 0.00 H new ATOM 0 HB2 GLN A 84 21.281 0.582 -31.261 1.00 0.00 H new ATOM 0 HB3 GLN A 84 22.326 -0.657 -31.928 1.00 0.00 H new ATOM 0 HG2 GLN A 84 20.552 -1.934 -32.656 1.00 0.00 H new ATOM 0 HG3 GLN A 84 19.655 -1.704 -31.169 1.00 0.00 H new ATOM 0 HE21 GLN A 84 19.172 1.025 -30.980 1.00 0.00 H new ATOM 0 HE22 GLN A 84 18.332 1.605 -32.422 1.00 0.00 H new ATOM 1320 N TYR A 85 23.983 -0.716 -29.080 1.00 0.00 N ATOM 1321 CA TYR A 85 25.061 0.081 -28.395 1.00 0.00 C ATOM 1322 C TYR A 85 25.135 1.496 -28.994 1.00 0.00 C ATOM 1323 O TYR A 85 25.054 1.672 -30.209 1.00 0.00 O ATOM 1324 CB TYR A 85 26.422 -0.606 -28.563 1.00 0.00 C ATOM 1325 CG TYR A 85 26.461 -1.856 -27.717 1.00 0.00 C ATOM 1326 CD1 TYR A 85 26.281 -1.771 -26.329 1.00 0.00 C ATOM 1327 CD2 TYR A 85 26.677 -3.100 -28.320 1.00 0.00 C ATOM 1328 CE1 TYR A 85 26.318 -2.930 -25.547 1.00 0.00 C ATOM 1329 CE2 TYR A 85 26.713 -4.259 -27.538 1.00 0.00 C ATOM 1330 CZ TYR A 85 26.534 -4.175 -26.153 1.00 0.00 C ATOM 1331 OH TYR A 85 26.567 -5.320 -25.387 1.00 0.00 O ATOM 0 H TYR A 85 24.268 -1.636 -29.416 1.00 0.00 H new ATOM 0 HA TYR A 85 24.817 0.145 -27.335 1.00 0.00 H new ATOM 0 HB2 TYR A 85 26.588 -0.857 -29.611 1.00 0.00 H new ATOM 0 HB3 TYR A 85 27.223 0.072 -28.267 1.00 0.00 H new ATOM 0 HD1 TYR A 85 26.114 -0.811 -25.864 1.00 0.00 H new ATOM 0 HD2 TYR A 85 26.816 -3.165 -29.389 1.00 0.00 H new ATOM 0 HE1 TYR A 85 26.180 -2.866 -24.478 1.00 0.00 H new ATOM 0 HE2 TYR A 85 26.879 -5.219 -28.004 1.00 0.00 H new ATOM 0 HH TYR A 85 26.613 -6.104 -25.973 1.00 0.00 H new ATOM 1332 N ALA A 86 25.283 2.512 -28.168 1.00 0.00 N ATOM 1333 CA ALA A 86 25.355 3.911 -28.710 1.00 0.00 C ATOM 1334 C ALA A 86 26.466 4.000 -29.767 1.00 0.00 C ATOM 1335 O ALA A 86 27.187 3.032 -30.007 1.00 0.00 O ATOM 1336 CB ALA A 86 25.656 4.905 -27.580 1.00 0.00 C ATOM 0 H ALA A 86 25.356 2.433 -27.154 1.00 0.00 H new ATOM 0 HA ALA A 86 24.394 4.160 -29.161 1.00 0.00 H new ATOM 0 HB1 ALA A 86 25.705 5.915 -27.987 1.00 0.00 H new ATOM 0 HB2 ALA A 86 24.866 4.854 -26.831 1.00 0.00 H new ATOM 0 HB3 ALA A 86 26.611 4.653 -27.118 1.00 0.00 H new ATOM 1337 N LYS A 87 26.622 5.137 -30.411 1.00 0.00 N ATOM 1338 CA LYS A 87 27.688 5.264 -31.449 1.00 0.00 C ATOM 1339 C LYS A 87 28.971 5.822 -30.812 1.00 0.00 C ATOM 1340 O LYS A 87 30.072 5.367 -31.118 1.00 0.00 O ATOM 1341 CB LYS A 87 27.219 6.208 -32.562 1.00 0.00 C ATOM 1342 CG LYS A 87 25.978 5.623 -33.238 1.00 0.00 C ATOM 1343 CD LYS A 87 25.272 6.714 -34.046 1.00 0.00 C ATOM 1344 CE LYS A 87 24.000 6.141 -34.674 1.00 0.00 C ATOM 1345 NZ LYS A 87 24.316 5.592 -36.023 1.00 0.00 N ATOM 0 H LYS A 87 26.059 5.974 -30.261 1.00 0.00 H new ATOM 0 HA LYS A 87 27.892 4.280 -31.871 1.00 0.00 H new ATOM 0 HB2 LYS A 87 26.992 7.191 -32.148 1.00 0.00 H new ATOM 0 HB3 LYS A 87 28.014 6.347 -33.295 1.00 0.00 H new ATOM 0 HG2 LYS A 87 26.262 4.798 -33.892 1.00 0.00 H new ATOM 0 HG3 LYS A 87 25.300 5.216 -32.488 1.00 0.00 H new ATOM 0 HD2 LYS A 87 25.024 7.557 -33.400 1.00 0.00 H new ATOM 0 HD3 LYS A 87 25.936 7.093 -34.823 1.00 0.00 H new ATOM 0 HE2 LYS A 87 23.589 5.357 -34.038 1.00 0.00 H new ATOM 0 HE3 LYS A 87 23.240 6.918 -34.755 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 23.452 5.202 -36.450 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 24.690 6.351 -36.628 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 25.028 4.839 -35.933 1.00 0.00 H new ATOM 1346 N THR A 88 28.860 6.801 -29.938 1.00 0.00 N ATOM 1347 CA THR A 88 30.081 7.371 -29.304 1.00 0.00 C ATOM 1348 C THR A 88 30.087 7.039 -27.803 1.00 0.00 C ATOM 1349 O THR A 88 29.165 6.402 -27.298 1.00 0.00 O ATOM 1350 CB THR A 88 30.089 8.890 -29.493 1.00 0.00 C ATOM 1351 OG1 THR A 88 28.801 9.409 -29.194 1.00 0.00 O ATOM 1352 CG2 THR A 88 30.452 9.223 -30.941 1.00 0.00 C ATOM 0 H THR A 88 27.979 7.222 -29.643 1.00 0.00 H new ATOM 0 HA THR A 88 30.967 6.941 -29.771 1.00 0.00 H new ATOM 0 HB THR A 88 30.825 9.337 -28.824 1.00 0.00 H new ATOM 0 HG1 THR A 88 28.805 10.382 -29.313 1.00 0.00 H new ATOM 0 HG21 THR A 88 30.458 10.305 -31.075 1.00 0.00 H new ATOM 0 HG22 THR A 88 31.440 8.824 -31.169 1.00 0.00 H new ATOM 0 HG23 THR A 88 29.717 8.778 -31.612 1.00 0.00 H new ATOM 1353 N ASP A 89 31.102 7.458 -27.076 1.00 0.00 N ATOM 1354 CA ASP A 89 31.139 7.156 -25.609 1.00 0.00 C ATOM 1355 C ASP A 89 30.298 8.197 -24.858 1.00 0.00 C ATOM 1356 O ASP A 89 29.688 9.071 -25.471 1.00 0.00 O ATOM 1357 CB ASP A 89 32.583 7.201 -25.097 1.00 0.00 C ATOM 1358 CG ASP A 89 33.473 6.338 -25.994 1.00 0.00 C ATOM 1359 OD1 ASP A 89 33.288 5.132 -25.995 1.00 0.00 O ATOM 1360 OD2 ASP A 89 34.323 6.898 -26.666 1.00 0.00 O ATOM 0 H ASP A 89 31.896 7.990 -27.432 1.00 0.00 H new ATOM 0 HA ASP A 89 30.734 6.159 -25.438 1.00 0.00 H new ATOM 0 HB2 ASP A 89 32.945 8.229 -25.090 1.00 0.00 H new ATOM 0 HB3 ASP A 89 32.627 6.840 -24.069 1.00 0.00 H new ATOM 1361 N SER A 90 30.247 8.127 -23.544 1.00 0.00 N ATOM 1362 CA SER A 90 29.436 9.120 -22.780 1.00 0.00 C ATOM 1363 C SER A 90 30.355 10.214 -22.209 1.00 0.00 C ATOM 1364 O SER A 90 31.463 9.935 -21.756 1.00 0.00 O ATOM 1365 CB SER A 90 28.709 8.415 -21.634 1.00 0.00 C ATOM 1366 OG SER A 90 27.379 8.116 -22.036 1.00 0.00 O ATOM 0 H SER A 90 30.729 7.430 -22.977 1.00 0.00 H new ATOM 0 HA SER A 90 28.705 9.576 -23.448 1.00 0.00 H new ATOM 0 HB2 SER A 90 29.234 7.499 -21.364 1.00 0.00 H new ATOM 0 HB3 SER A 90 28.700 9.050 -20.748 1.00 0.00 H new ATOM 0 HG SER A 90 27.280 7.147 -22.144 1.00 0.00 H new ATOM 1367 N ASP A 91 29.919 11.456 -22.227 1.00 0.00 N ATOM 1368 CA ASP A 91 30.773 12.559 -21.689 1.00 0.00 C ATOM 1369 C ASP A 91 30.904 12.441 -20.166 1.00 0.00 C ATOM 1370 O ASP A 91 31.932 12.817 -19.613 1.00 0.00 O ATOM 1371 CB ASP A 91 30.171 13.927 -22.042 1.00 0.00 C ATOM 1372 CG ASP A 91 31.249 15.006 -21.925 1.00 0.00 C ATOM 1373 OD1 ASP A 91 31.978 15.194 -22.884 1.00 0.00 O ATOM 1374 OD2 ASP A 91 31.328 15.625 -20.876 1.00 0.00 O ATOM 0 H ASP A 91 29.012 11.748 -22.590 1.00 0.00 H new ATOM 0 HA ASP A 91 31.760 12.473 -22.143 1.00 0.00 H new ATOM 0 HB2 ASP A 91 29.769 13.908 -23.055 1.00 0.00 H new ATOM 0 HB3 ASP A 91 29.341 14.154 -21.373 1.00 0.00 H new ATOM 1375 N ILE A 92 29.907 11.932 -19.463 1.00 0.00 N ATOM 1376 CA ILE A 92 30.059 11.811 -17.981 1.00 0.00 C ATOM 1377 C ILE A 92 31.217 10.836 -17.665 1.00 0.00 C ATOM 1378 O ILE A 92 31.860 10.952 -16.623 1.00 0.00 O ATOM 1379 CB ILE A 92 28.745 11.345 -17.325 1.00 0.00 C ATOM 1380 CG1 ILE A 92 28.440 9.881 -17.686 1.00 0.00 C ATOM 1381 CG2 ILE A 92 27.593 12.238 -17.793 1.00 0.00 C ATOM 1382 CD1 ILE A 92 28.563 9.014 -16.430 1.00 0.00 C ATOM 0 H ILE A 92 29.020 11.605 -19.846 1.00 0.00 H new ATOM 0 HA ILE A 92 30.295 12.791 -17.565 1.00 0.00 H new ATOM 0 HB ILE A 92 28.855 11.419 -16.243 1.00 0.00 H new ATOM 0 HG12 ILE A 92 27.436 9.799 -18.102 1.00 0.00 H new ATOM 0 HG13 ILE A 92 29.132 9.532 -18.452 1.00 0.00 H new ATOM 0 HG21 ILE A 92 26.664 11.907 -17.328 1.00 0.00 H new ATOM 0 HG22 ILE A 92 27.794 13.271 -17.508 1.00 0.00 H new ATOM 0 HG23 ILE A 92 27.499 12.173 -18.877 1.00 0.00 H new ATOM 0 HD11 ILE A 92 28.347 7.976 -16.682 1.00 0.00 H new ATOM 0 HD12 ILE A 92 29.576 9.089 -16.034 1.00 0.00 H new ATOM 0 HD13 ILE A 92 27.853 9.360 -15.678 1.00 0.00 H new ATOM 1383 N ILE A 93 31.533 9.903 -18.552 1.00 0.00 N ATOM 1384 CA ILE A 93 32.687 8.984 -18.286 1.00 0.00 C ATOM 1385 C ILE A 93 33.973 9.826 -18.405 1.00 0.00 C ATOM 1386 O ILE A 93 34.916 9.651 -17.645 1.00 0.00 O ATOM 1387 CB ILE A 93 32.693 7.812 -19.311 1.00 0.00 C ATOM 1388 CG1 ILE A 93 31.679 6.741 -18.884 1.00 0.00 C ATOM 1389 CG2 ILE A 93 34.078 7.152 -19.391 1.00 0.00 C ATOM 1390 CD1 ILE A 93 30.296 7.365 -18.704 1.00 0.00 C ATOM 0 H ILE A 93 31.045 9.746 -19.434 1.00 0.00 H new ATOM 0 HA ILE A 93 32.613 8.542 -17.293 1.00 0.00 H new ATOM 0 HB ILE A 93 32.432 8.225 -20.285 1.00 0.00 H new ATOM 0 HG12 ILE A 93 31.635 5.952 -19.635 1.00 0.00 H new ATOM 0 HG13 ILE A 93 32.001 6.277 -17.952 1.00 0.00 H new ATOM 0 HG21 ILE A 93 34.052 6.337 -20.115 1.00 0.00 H new ATOM 0 HG22 ILE A 93 34.816 7.891 -19.704 1.00 0.00 H new ATOM 0 HG23 ILE A 93 34.351 6.759 -18.412 1.00 0.00 H new ATOM 0 HD11 ILE A 93 29.586 6.595 -18.401 1.00 0.00 H new ATOM 0 HD12 ILE A 93 30.343 8.138 -17.937 1.00 0.00 H new ATOM 0 HD13 ILE A 93 29.971 7.808 -19.646 1.00 0.00 H new