USER MOD reduce.3.24.130724 H: found=0, std=0, add=736, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 0 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 65 THR OG1 : rot 180:sc=2.93e-05 USER MOD Set 1.2: A 85 TYR OH : rot -80:sc= -4.39! USER MOD Set 2.1: A 28 SER OG : rot 123:sc= 1.43 USER MOD Set 2.2: A 77 TYR OH : rot -158:sc= -1.62! USER MOD Set 3.1: A 12 TYR OH : rot 60:sc= -3.19! USER MOD Set 3.2: A 53 GLN : amide:sc= -2.86! C(o=-6!,f=-11!) USER MOD Single : A 8 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 9 HIS : no HD1:sc= -3.74! C(o=-3.7!,f=-4.8!) USER MOD Single : A 10 THR OG1 : rot 110:sc= -1.82! USER MOD Single : A 14 ASN : amide:sc= -0.42 K(o=-0.42,f=-3.5!) USER MOD Single : A 15 ASN : amide:sc= -2.29 K(o=-2.3,f=-6.3!) USER MOD Single : A 17 ASN : amide:sc= -0.209 K(o=-0.21,f=-2.6!) USER MOD Single : A 19 LYS NZ :NH3+ -157:sc= -0.0346 (180deg=-0.277) 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+ -161:sc=-0.00972 (180deg=-0.205) USER MOD Single : A 27 LYS NZ :NH3+ -165:sc= 0 (180deg=-0.178) USER MOD Single : A 30 HIS : no HD1:sc= -0.167 X(o=-0.17,f=-0.021) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 38 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 47 SER OG : rot 180:sc= -0.317 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 MET CE :methyl -174:sc=-0.00204 (180deg=-0.0764) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 SER OG : rot 180:sc= -0.0196 USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 66 ASN : amide:sc= -0.127 X(o=-0.13,f=0) USER MOD Single : A 70 SER OG : rot 17:sc= 0.689 USER MOD Single : A 71 MET CE :methyl -118:sc= -1.43 (180deg=-1.88) USER MOD Single : A 72 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 79 LYS NZ :NH3+ 156:sc= 0.0899 (180deg=0.0119) USER MOD Single : A 81 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 84 GLN : amide:sc= 0 K(o=0,f=-1.3!) 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 Single : A 90 SER OG : rot 110:sc= -1.67! USER MOD ----------------------------------------------------------------- ATOM 682 N PRO A 7 31.349 -3.064 -28.224 1.00 0.00 N ATOM 683 CA PRO A 7 30.970 -2.480 -26.924 1.00 0.00 C ATOM 684 C PRO A 7 31.615 -1.096 -26.752 1.00 0.00 C ATOM 685 O PRO A 7 32.705 -0.842 -27.262 1.00 0.00 O ATOM 686 CB PRO A 7 31.526 -3.475 -25.901 1.00 0.00 C ATOM 687 CG PRO A 7 32.657 -4.251 -26.615 1.00 0.00 C ATOM 688 CD PRO A 7 32.408 -4.101 -28.126 1.00 0.00 C ATOM 0 HA PRO A 7 29.895 -2.330 -26.819 1.00 0.00 H new ATOM 0 HB2 PRO A 7 31.907 -2.956 -25.022 1.00 0.00 H new ATOM 0 HB3 PRO A 7 30.746 -4.155 -25.557 1.00 0.00 H new ATOM 0 HG2 PRO A 7 33.633 -3.851 -26.342 1.00 0.00 H new ATOM 0 HG3 PRO A 7 32.650 -5.301 -26.324 1.00 0.00 H new ATOM 0 HD2 PRO A 7 33.314 -3.795 -28.650 1.00 0.00 H new ATOM 0 HD3 PRO A 7 32.085 -5.042 -28.571 1.00 0.00 H new ATOM 689 N ASN A 8 30.965 -0.195 -26.050 1.00 0.00 N ATOM 690 CA ASN A 8 31.551 1.164 -25.860 1.00 0.00 C ATOM 691 C ASN A 8 31.434 1.580 -24.389 1.00 0.00 C ATOM 692 O ASN A 8 32.433 1.657 -23.678 1.00 0.00 O ATOM 693 CB ASN A 8 30.800 2.168 -26.748 1.00 0.00 C ATOM 694 CG ASN A 8 31.780 2.836 -27.722 1.00 0.00 C ATOM 695 OD1 ASN A 8 32.336 2.175 -28.596 1.00 0.00 O ATOM 696 ND2 ASN A 8 32.028 4.120 -27.624 1.00 0.00 N ATOM 0 H ASN A 8 30.060 -0.345 -25.605 1.00 0.00 H new ATOM 0 HA ASN A 8 32.604 1.149 -26.140 1.00 0.00 H new ATOM 0 HB2 ASN A 8 30.012 1.658 -27.303 1.00 0.00 H new ATOM 0 HB3 ASN A 8 30.316 2.924 -26.129 1.00 0.00 H new ATOM 0 HD21 ASN A 8 32.679 4.564 -28.271 1.00 0.00 H new ATOM 0 HD22 ASN A 8 31.570 4.674 -26.901 1.00 0.00 H new ATOM 697 N HIS A 9 30.237 1.846 -23.919 1.00 0.00 N ATOM 698 CA HIS A 9 30.054 2.267 -22.487 1.00 0.00 C ATOM 699 C HIS A 9 28.597 2.712 -22.284 1.00 0.00 C ATOM 700 O HIS A 9 27.948 2.342 -21.308 1.00 0.00 O ATOM 701 CB HIS A 9 30.970 3.462 -22.161 1.00 0.00 C ATOM 702 CG HIS A 9 31.552 3.297 -20.783 1.00 0.00 C ATOM 703 ND1 HIS A 9 32.920 3.260 -20.558 1.00 0.00 N ATOM 704 CD2 HIS A 9 30.966 3.170 -19.548 1.00 0.00 C ATOM 705 CE1 HIS A 9 33.108 3.117 -19.233 1.00 0.00 C ATOM 706 NE2 HIS A 9 31.950 3.057 -18.572 1.00 0.00 N ATOM 0 H HIS A 9 29.377 1.790 -24.464 1.00 0.00 H new ATOM 0 HA HIS A 9 30.302 1.428 -21.837 1.00 0.00 H new ATOM 0 HB2 HIS A 9 31.770 3.530 -22.898 1.00 0.00 H new ATOM 0 HB3 HIS A 9 30.404 4.392 -22.218 1.00 0.00 H new ATOM 0 HD2 HIS A 9 29.902 3.159 -19.363 1.00 0.00 H new ATOM 0 HE1 HIS A 9 34.078 3.058 -18.762 1.00 0.00 H new ATOM 0 HE2 HIS A 9 31.816 2.951 -17.566 1.00 0.00 H new ATOM 707 N THR A 10 28.078 3.507 -23.194 1.00 0.00 N ATOM 708 CA THR A 10 26.672 3.982 -23.055 1.00 0.00 C ATOM 709 C THR A 10 25.765 3.193 -24.014 1.00 0.00 C ATOM 710 O THR A 10 26.047 3.093 -25.205 1.00 0.00 O ATOM 711 CB THR A 10 26.614 5.478 -23.401 1.00 0.00 C ATOM 712 OG1 THR A 10 27.377 6.206 -22.448 1.00 0.00 O ATOM 713 CG2 THR A 10 25.165 5.981 -23.383 1.00 0.00 C ATOM 0 H THR A 10 28.570 3.843 -24.022 1.00 0.00 H new ATOM 0 HA THR A 10 26.329 3.828 -22.032 1.00 0.00 H new ATOM 0 HB THR A 10 27.022 5.625 -24.401 1.00 0.00 H new ATOM 0 HG1 THR A 10 28.188 6.554 -22.875 1.00 0.00 H new ATOM 0 HG21 THR A 10 25.145 7.042 -23.630 1.00 0.00 H new ATOM 0 HG22 THR A 10 24.578 5.427 -24.115 1.00 0.00 H new ATOM 0 HG23 THR A 10 24.740 5.832 -22.390 1.00 0.00 H new ATOM 714 N ILE A 11 24.670 2.647 -23.525 1.00 0.00 N ATOM 715 CA ILE A 11 23.755 1.892 -24.430 1.00 0.00 C ATOM 716 C ILE A 11 22.716 2.864 -25.016 1.00 0.00 C ATOM 717 O ILE A 11 22.555 3.983 -24.528 1.00 0.00 O ATOM 718 CB ILE A 11 23.049 0.762 -23.663 1.00 0.00 C ATOM 719 CG1 ILE A 11 22.204 1.339 -22.521 1.00 0.00 C ATOM 720 CG2 ILE A 11 24.097 -0.188 -23.082 1.00 0.00 C ATOM 721 CD1 ILE A 11 21.029 0.402 -22.233 1.00 0.00 C ATOM 0 H ILE A 11 24.378 2.694 -22.549 1.00 0.00 H new ATOM 0 HA ILE A 11 24.335 1.444 -25.237 1.00 0.00 H new ATOM 0 HB ILE A 11 22.397 0.224 -24.351 1.00 0.00 H new ATOM 0 HG12 ILE A 11 22.815 1.459 -21.627 1.00 0.00 H new ATOM 0 HG13 ILE A 11 21.836 2.329 -22.791 1.00 0.00 H new ATOM 0 HG21 ILE A 11 23.599 -0.990 -22.538 1.00 0.00 H new ATOM 0 HG22 ILE A 11 24.691 -0.613 -23.891 1.00 0.00 H new ATOM 0 HG23 ILE A 11 24.749 0.361 -22.403 1.00 0.00 H new ATOM 0 HD11 ILE A 11 20.428 0.811 -21.421 1.00 0.00 H new ATOM 0 HD12 ILE A 11 20.413 0.305 -23.127 1.00 0.00 H new ATOM 0 HD13 ILE A 11 21.408 -0.579 -21.945 1.00 0.00 H new ATOM 722 N TYR A 12 22.017 2.469 -26.055 1.00 0.00 N ATOM 723 CA TYR A 12 21.007 3.381 -26.669 1.00 0.00 C ATOM 724 C TYR A 12 19.741 2.577 -27.014 1.00 0.00 C ATOM 725 O TYR A 12 19.782 1.662 -27.832 1.00 0.00 O ATOM 726 CB TYR A 12 21.613 3.990 -27.945 1.00 0.00 C ATOM 727 CG TYR A 12 20.576 4.797 -28.695 1.00 0.00 C ATOM 728 CD1 TYR A 12 20.104 6.004 -28.167 1.00 0.00 C ATOM 729 CD2 TYR A 12 20.093 4.335 -29.925 1.00 0.00 C ATOM 730 CE1 TYR A 12 19.149 6.748 -28.869 1.00 0.00 C ATOM 731 CE2 TYR A 12 19.138 5.078 -30.627 1.00 0.00 C ATOM 732 CZ TYR A 12 18.665 6.285 -30.099 1.00 0.00 C ATOM 733 OH TYR A 12 17.722 7.019 -30.791 1.00 0.00 O ATOM 0 H TYR A 12 22.104 1.556 -26.501 1.00 0.00 H new ATOM 0 HA TYR A 12 20.739 4.178 -25.975 1.00 0.00 H new ATOM 0 HB2 TYR A 12 22.458 4.627 -27.684 1.00 0.00 H new ATOM 0 HB3 TYR A 12 21.997 3.197 -28.586 1.00 0.00 H new ATOM 0 HD1 TYR A 12 20.477 6.361 -27.218 1.00 0.00 H new ATOM 0 HD2 TYR A 12 20.458 3.404 -30.332 1.00 0.00 H new ATOM 0 HE1 TYR A 12 18.785 7.680 -28.462 1.00 0.00 H new ATOM 0 HE2 TYR A 12 18.766 4.721 -31.576 1.00 0.00 H new ATOM 0 HH TYR A 12 18.085 7.905 -30.999 1.00 0.00 H new ATOM 734 N ILE A 13 18.616 2.898 -26.411 1.00 0.00 N ATOM 735 CA ILE A 13 17.365 2.140 -26.723 1.00 0.00 C ATOM 736 C ILE A 13 16.619 2.836 -27.870 1.00 0.00 C ATOM 737 O ILE A 13 16.786 4.034 -28.094 1.00 0.00 O ATOM 738 CB ILE A 13 16.466 2.091 -25.483 1.00 0.00 C ATOM 739 CG1 ILE A 13 17.254 1.510 -24.299 1.00 0.00 C ATOM 740 CG2 ILE A 13 15.249 1.208 -25.771 1.00 0.00 C ATOM 741 CD1 ILE A 13 16.928 2.299 -23.029 1.00 0.00 C ATOM 0 H ILE A 13 18.514 3.645 -25.724 1.00 0.00 H new ATOM 0 HA ILE A 13 17.624 1.123 -27.019 1.00 0.00 H new ATOM 0 HB ILE A 13 16.133 3.099 -25.235 1.00 0.00 H new ATOM 0 HG12 ILE A 13 17.001 0.459 -24.161 1.00 0.00 H new ATOM 0 HG13 ILE A 13 18.324 1.556 -24.503 1.00 0.00 H new ATOM 0 HG21 ILE A 13 14.609 1.172 -24.890 1.00 0.00 H new ATOM 0 HG22 ILE A 13 14.689 1.622 -26.610 1.00 0.00 H new ATOM 0 HG23 ILE A 13 15.581 0.200 -26.019 1.00 0.00 H new ATOM 0 HD11 ILE A 13 17.488 1.886 -22.190 1.00 0.00 H new ATOM 0 HD12 ILE A 13 17.204 3.344 -23.169 1.00 0.00 H new ATOM 0 HD13 ILE A 13 15.860 2.230 -22.822 1.00 0.00 H new ATOM 742 N ASN A 14 15.799 2.117 -28.607 1.00 0.00 N ATOM 743 CA ASN A 14 15.057 2.754 -29.732 1.00 0.00 C ATOM 744 C ASN A 14 13.643 2.160 -29.817 1.00 0.00 C ATOM 745 O ASN A 14 13.303 1.238 -29.077 1.00 0.00 O ATOM 746 CB ASN A 14 15.802 2.492 -31.043 1.00 0.00 C ATOM 747 CG ASN A 14 15.632 3.690 -31.988 1.00 0.00 C ATOM 748 OD1 ASN A 14 15.070 4.714 -31.603 1.00 0.00 O ATOM 749 ND2 ASN A 14 16.087 3.621 -33.215 1.00 0.00 N ATOM 0 H ASN A 14 15.617 1.122 -28.474 1.00 0.00 H new ATOM 0 HA ASN A 14 14.987 3.828 -29.561 1.00 0.00 H new ATOM 0 HB2 ASN A 14 16.860 2.323 -30.843 1.00 0.00 H new ATOM 0 HB3 ASN A 14 15.418 1.588 -31.515 1.00 0.00 H new ATOM 0 HD21 ASN A 14 15.974 4.414 -33.846 1.00 0.00 H new ATOM 0 HD22 ASN A 14 16.554 2.774 -33.539 1.00 0.00 H new ATOM 750 N ASN A 15 12.808 2.664 -30.701 1.00 0.00 N ATOM 751 CA ASN A 15 11.425 2.117 -30.816 1.00 0.00 C ATOM 752 C ASN A 15 10.705 2.263 -29.466 1.00 0.00 C ATOM 753 O ASN A 15 10.217 1.285 -28.902 1.00 0.00 O ATOM 754 CB ASN A 15 11.493 0.638 -31.207 1.00 0.00 C ATOM 755 CG ASN A 15 10.085 0.132 -31.544 1.00 0.00 C ATOM 756 OD1 ASN A 15 9.102 0.614 -30.987 1.00 0.00 O ATOM 757 ND2 ASN A 15 9.928 -0.819 -32.434 1.00 0.00 N ATOM 0 H ASN A 15 13.028 3.426 -31.342 1.00 0.00 H new ATOM 0 HA ASN A 15 10.876 2.667 -31.580 1.00 0.00 H new ATOM 0 HB2 ASN A 15 12.153 0.508 -32.065 1.00 0.00 H new ATOM 0 HB3 ASN A 15 11.915 0.054 -30.389 1.00 0.00 H new ATOM 0 HD21 ASN A 15 8.992 -1.155 -32.661 1.00 0.00 H new ATOM 0 HD22 ASN A 15 10.742 -1.222 -32.899 1.00 0.00 H new ATOM 758 N LEU A 16 10.628 3.464 -28.932 1.00 0.00 N ATOM 759 CA LEU A 16 9.940 3.654 -27.621 1.00 0.00 C ATOM 760 C LEU A 16 8.535 4.227 -27.863 1.00 0.00 C ATOM 761 O LEU A 16 8.099 4.363 -29.006 1.00 0.00 O ATOM 762 CB LEU A 16 10.754 4.630 -26.761 1.00 0.00 C ATOM 763 CG LEU A 16 11.477 3.864 -25.650 1.00 0.00 C ATOM 764 CD1 LEU A 16 12.662 3.101 -26.244 1.00 0.00 C ATOM 765 CD2 LEU A 16 11.986 4.853 -24.599 1.00 0.00 C ATOM 0 H LEU A 16 11.011 4.312 -29.349 1.00 0.00 H new ATOM 0 HA LEU A 16 9.856 2.697 -27.105 1.00 0.00 H new ATOM 0 HB2 LEU A 16 11.478 5.159 -27.381 1.00 0.00 H new ATOM 0 HB3 LEU A 16 10.096 5.383 -26.327 1.00 0.00 H new ATOM 0 HG LEU A 16 10.787 3.160 -25.186 1.00 0.00 H new ATOM 0 HD11 LEU A 16 13.177 2.556 -25.453 1.00 0.00 H new ATOM 0 HD12 LEU A 16 12.302 2.398 -26.995 1.00 0.00 H new ATOM 0 HD13 LEU A 16 13.353 3.805 -26.708 1.00 0.00 H new ATOM 0 HD21 LEU A 16 12.501 4.309 -23.807 1.00 0.00 H new ATOM 0 HD22 LEU A 16 12.677 5.556 -25.065 1.00 0.00 H new ATOM 0 HD23 LEU A 16 11.143 5.399 -24.175 1.00 0.00 H new ATOM 766 N ASN A 17 7.814 4.573 -26.816 1.00 0.00 N ATOM 767 CA ASN A 17 6.447 5.140 -27.009 1.00 0.00 C ATOM 768 C ASN A 17 6.548 6.666 -27.085 1.00 0.00 C ATOM 769 O ASN A 17 7.464 7.265 -26.523 1.00 0.00 O ATOM 770 CB ASN A 17 5.547 4.744 -25.833 1.00 0.00 C ATOM 771 CG ASN A 17 4.088 4.685 -26.303 1.00 0.00 C ATOM 772 OD1 ASN A 17 3.821 4.445 -27.478 1.00 0.00 O ATOM 773 ND2 ASN A 17 3.117 4.891 -25.446 1.00 0.00 N ATOM 0 H ASN A 17 8.116 4.486 -25.846 1.00 0.00 H new ATOM 0 HA ASN A 17 6.017 4.750 -27.931 1.00 0.00 H new ATOM 0 HB2 ASN A 17 5.852 3.775 -25.438 1.00 0.00 H new ATOM 0 HB3 ASN A 17 5.650 5.466 -25.023 1.00 0.00 H new ATOM 0 HD21 ASN A 17 2.146 4.852 -25.756 1.00 0.00 H new ATOM 0 HD22 ASN A 17 3.333 5.091 -24.469 1.00 0.00 H new ATOM 774 N GLU A 18 5.634 7.311 -27.771 1.00 0.00 N ATOM 775 CA GLU A 18 5.699 8.796 -27.879 1.00 0.00 C ATOM 776 C GLU A 18 4.693 9.440 -26.911 1.00 0.00 C ATOM 777 O GLU A 18 4.052 10.436 -27.245 1.00 0.00 O ATOM 778 CB GLU A 18 5.369 9.211 -29.313 1.00 0.00 C ATOM 779 CG GLU A 18 6.407 8.621 -30.271 1.00 0.00 C ATOM 780 CD GLU A 18 5.849 7.346 -30.907 1.00 0.00 C ATOM 781 OE1 GLU A 18 4.821 7.432 -31.556 1.00 0.00 O ATOM 782 OE2 GLU A 18 6.461 6.304 -30.733 1.00 0.00 O ATOM 0 H GLU A 18 4.852 6.873 -28.257 1.00 0.00 H new ATOM 0 HA GLU A 18 6.703 9.132 -27.620 1.00 0.00 H new ATOM 0 HB2 GLU A 18 4.372 8.863 -29.582 1.00 0.00 H new ATOM 0 HB3 GLU A 18 5.360 10.298 -29.395 1.00 0.00 H new ATOM 0 HG2 GLU A 18 6.657 9.347 -31.045 1.00 0.00 H new ATOM 0 HG3 GLU A 18 7.329 8.398 -29.733 1.00 0.00 H new ATOM 783 N LYS A 19 4.540 8.904 -25.718 1.00 0.00 N ATOM 784 CA LYS A 19 3.578 9.507 -24.750 1.00 0.00 C ATOM 785 C LYS A 19 4.074 9.299 -23.307 1.00 0.00 C ATOM 786 O LYS A 19 3.272 9.122 -22.391 1.00 0.00 O ATOM 787 CB LYS A 19 2.209 8.846 -24.916 1.00 0.00 C ATOM 788 CG LYS A 19 1.768 8.949 -26.377 1.00 0.00 C ATOM 789 CD LYS A 19 0.298 8.543 -26.496 1.00 0.00 C ATOM 790 CE LYS A 19 -0.342 9.279 -27.674 1.00 0.00 C ATOM 791 NZ LYS A 19 -0.551 10.709 -27.312 1.00 0.00 N ATOM 0 H LYS A 19 5.039 8.081 -25.380 1.00 0.00 H new ATOM 0 HA LYS A 19 3.499 10.576 -24.948 1.00 0.00 H new ATOM 0 HB2 LYS A 19 2.259 7.800 -24.613 1.00 0.00 H new ATOM 0 HB3 LYS A 19 1.478 9.331 -24.269 1.00 0.00 H new ATOM 0 HG2 LYS A 19 1.905 9.968 -26.738 1.00 0.00 H new ATOM 0 HG3 LYS A 19 2.386 8.304 -27.001 1.00 0.00 H new ATOM 0 HD2 LYS A 19 0.218 7.466 -26.640 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -0.232 8.781 -25.574 1.00 0.00 H new ATOM 0 HE2 LYS A 19 0.298 9.205 -28.554 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -1.294 8.815 -27.932 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -1.303 11.111 -27.907 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -0.827 10.777 -26.312 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 0.331 11.238 -27.465 1.00 0.00 H new ATOM 792 N ILE A 20 5.372 9.311 -23.077 1.00 0.00 N ATOM 793 CA ILE A 20 5.884 9.108 -21.691 1.00 0.00 C ATOM 794 C ILE A 20 6.322 10.449 -21.099 1.00 0.00 C ATOM 795 O ILE A 20 6.700 11.368 -21.824 1.00 0.00 O ATOM 796 CB ILE A 20 7.094 8.157 -21.697 1.00 0.00 C ATOM 797 CG1 ILE A 20 6.876 7.002 -22.691 1.00 0.00 C ATOM 798 CG2 ILE A 20 7.298 7.589 -20.287 1.00 0.00 C ATOM 799 CD1 ILE A 20 5.582 6.263 -22.351 1.00 0.00 C ATOM 0 H ILE A 20 6.089 9.452 -23.789 1.00 0.00 H new ATOM 0 HA ILE A 20 5.084 8.675 -21.091 1.00 0.00 H new ATOM 0 HB ILE A 20 7.978 8.716 -22.005 1.00 0.00 H new ATOM 0 HG12 ILE A 20 6.827 7.390 -23.708 1.00 0.00 H new ATOM 0 HG13 ILE A 20 7.720 6.313 -22.653 1.00 0.00 H new ATOM 0 HG21 ILE A 20 8.154 6.915 -20.287 1.00 0.00 H new ATOM 0 HG22 ILE A 20 7.479 8.406 -19.588 1.00 0.00 H new ATOM 0 HG23 ILE A 20 6.406 7.042 -19.982 1.00 0.00 H new ATOM 0 HD11 ILE A 20 5.433 5.447 -23.058 1.00 0.00 H new ATOM 0 HD12 ILE A 20 5.648 5.860 -21.340 1.00 0.00 H new ATOM 0 HD13 ILE A 20 4.741 6.954 -22.412 1.00 0.00 H new ATOM 800 N LYS A 21 6.298 10.578 -19.792 1.00 0.00 N ATOM 801 CA LYS A 21 6.735 11.857 -19.169 1.00 0.00 C ATOM 802 C LYS A 21 8.254 11.808 -18.962 1.00 0.00 C ATOM 803 O LYS A 21 8.906 10.842 -19.358 1.00 0.00 O ATOM 804 CB LYS A 21 6.037 12.054 -17.817 1.00 0.00 C ATOM 805 CG LYS A 21 4.525 11.905 -17.997 1.00 0.00 C ATOM 806 CD LYS A 21 3.800 12.852 -17.039 1.00 0.00 C ATOM 807 CE LYS A 21 2.450 13.252 -17.640 1.00 0.00 C ATOM 808 NZ LYS A 21 1.952 14.484 -16.966 1.00 0.00 N ATOM 0 H LYS A 21 5.996 9.855 -19.139 1.00 0.00 H new ATOM 0 HA LYS A 21 6.471 12.690 -19.821 1.00 0.00 H new ATOM 0 HB2 LYS A 21 6.402 11.322 -17.097 1.00 0.00 H new ATOM 0 HB3 LYS A 21 6.271 13.040 -17.415 1.00 0.00 H new ATOM 0 HG2 LYS A 21 4.247 12.130 -19.027 1.00 0.00 H new ATOM 0 HG3 LYS A 21 4.225 10.875 -17.803 1.00 0.00 H new ATOM 0 HD2 LYS A 21 3.651 12.367 -16.074 1.00 0.00 H new ATOM 0 HD3 LYS A 21 4.407 13.739 -16.859 1.00 0.00 H new ATOM 0 HE2 LYS A 21 2.554 13.427 -18.711 1.00 0.00 H new ATOM 0 HE3 LYS A 21 1.731 12.442 -17.518 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 1.035 14.756 -17.374 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 1.838 14.301 -15.949 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 2.635 15.256 -17.104 1.00 0.00 H new ATOM 809 N LYS A 22 8.840 12.813 -18.351 1.00 0.00 N ATOM 810 CA LYS A 22 10.319 12.782 -18.134 1.00 0.00 C ATOM 811 C LYS A 22 10.624 12.063 -16.817 1.00 0.00 C ATOM 812 O LYS A 22 11.566 11.278 -16.737 1.00 0.00 O ATOM 813 CB LYS A 22 10.878 14.205 -18.079 1.00 0.00 C ATOM 814 CG LYS A 22 10.690 14.882 -19.439 1.00 0.00 C ATOM 815 CD LYS A 22 11.695 16.028 -19.579 1.00 0.00 C ATOM 816 CE LYS A 22 13.098 15.457 -19.800 1.00 0.00 C ATOM 817 NZ LYS A 22 14.099 16.318 -19.112 1.00 0.00 N ATOM 0 H LYS A 22 8.363 13.643 -17.998 1.00 0.00 H new ATOM 0 HA LYS A 22 10.788 12.251 -18.963 1.00 0.00 H new ATOM 0 HB2 LYS A 22 10.369 14.777 -17.303 1.00 0.00 H new ATOM 0 HB3 LYS A 22 11.936 14.181 -17.816 1.00 0.00 H new ATOM 0 HG2 LYS A 22 10.833 14.158 -20.241 1.00 0.00 H new ATOM 0 HG3 LYS A 22 9.673 15.262 -19.531 1.00 0.00 H new ATOM 0 HD2 LYS A 22 11.417 16.669 -20.415 1.00 0.00 H new ATOM 0 HD3 LYS A 22 11.681 16.649 -18.683 1.00 0.00 H new ATOM 0 HE2 LYS A 22 13.153 14.439 -19.415 1.00 0.00 H new ATOM 0 HE3 LYS A 22 13.318 15.407 -20.866 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 15.052 15.930 -19.262 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 14.053 17.282 -19.500 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 13.892 16.344 -18.093 1.00 0.00 H new ATOM 818 N ASP A 23 9.838 12.289 -15.792 1.00 0.00 N ATOM 819 CA ASP A 23 10.086 11.577 -14.504 1.00 0.00 C ATOM 820 C ASP A 23 9.602 10.124 -14.650 1.00 0.00 C ATOM 821 O ASP A 23 10.132 9.220 -14.006 1.00 0.00 O ATOM 822 CB ASP A 23 9.323 12.257 -13.359 1.00 0.00 C ATOM 823 CG ASP A 23 9.666 11.569 -12.036 1.00 0.00 C ATOM 824 OD1 ASP A 23 10.792 11.715 -11.590 1.00 0.00 O ATOM 825 OD2 ASP A 23 8.796 10.909 -11.492 1.00 0.00 O ATOM 0 H ASP A 23 9.044 12.929 -15.793 1.00 0.00 H new ATOM 0 HA ASP A 23 11.151 11.604 -14.273 1.00 0.00 H new ATOM 0 HB2 ASP A 23 9.586 13.314 -13.310 1.00 0.00 H new ATOM 0 HB3 ASP A 23 8.250 12.204 -13.541 1.00 0.00 H new ATOM 826 N GLU A 24 8.605 9.873 -15.483 1.00 0.00 N ATOM 827 CA GLU A 24 8.113 8.475 -15.646 1.00 0.00 C ATOM 828 C GLU A 24 9.137 7.643 -16.427 1.00 0.00 C ATOM 829 O GLU A 24 9.469 6.530 -16.023 1.00 0.00 O ATOM 830 CB GLU A 24 6.774 8.460 -16.395 1.00 0.00 C ATOM 831 CG GLU A 24 5.715 9.183 -15.562 1.00 0.00 C ATOM 832 CD GLU A 24 5.230 8.261 -14.442 1.00 0.00 C ATOM 833 OE1 GLU A 24 4.790 7.166 -14.750 1.00 0.00 O ATOM 834 OE2 GLU A 24 5.307 8.666 -13.293 1.00 0.00 O ATOM 0 H GLU A 24 8.123 10.574 -16.046 1.00 0.00 H new ATOM 0 HA GLU A 24 7.973 8.045 -14.654 1.00 0.00 H new ATOM 0 HB2 GLU A 24 6.882 8.945 -17.365 1.00 0.00 H new ATOM 0 HB3 GLU A 24 6.463 7.433 -16.585 1.00 0.00 H new ATOM 0 HG2 GLU A 24 6.131 10.098 -15.140 1.00 0.00 H new ATOM 0 HG3 GLU A 24 4.877 9.476 -16.195 1.00 0.00 H new ATOM 835 N LEU A 25 9.647 8.140 -17.536 1.00 0.00 N ATOM 836 CA LEU A 25 10.638 7.324 -18.312 1.00 0.00 C ATOM 837 C LEU A 25 11.933 7.138 -17.503 1.00 0.00 C ATOM 838 O LEU A 25 12.588 6.103 -17.610 1.00 0.00 O ATOM 839 CB LEU A 25 10.964 7.997 -19.649 1.00 0.00 C ATOM 840 CG LEU A 25 11.228 6.922 -20.705 1.00 0.00 C ATOM 841 CD1 LEU A 25 9.912 6.237 -21.081 1.00 0.00 C ATOM 842 CD2 LEU A 25 11.834 7.574 -21.950 1.00 0.00 C ATOM 0 H LEU A 25 9.425 9.055 -17.928 1.00 0.00 H new ATOM 0 HA LEU A 25 10.192 6.348 -18.505 1.00 0.00 H new ATOM 0 HB2 LEU A 25 10.136 8.633 -19.960 1.00 0.00 H new ATOM 0 HB3 LEU A 25 11.837 8.640 -19.542 1.00 0.00 H new ATOM 0 HG LEU A 25 11.920 6.181 -20.304 1.00 0.00 H new ATOM 0 HD11 LEU A 25 10.102 5.472 -21.833 1.00 0.00 H new ATOM 0 HD12 LEU A 25 9.476 5.775 -20.195 1.00 0.00 H new ATOM 0 HD13 LEU A 25 9.219 6.976 -21.483 1.00 0.00 H new ATOM 0 HD21 LEU A 25 12.023 6.811 -22.705 1.00 0.00 H new ATOM 0 HD22 LEU A 25 11.139 8.313 -22.348 1.00 0.00 H new ATOM 0 HD23 LEU A 25 12.772 8.063 -21.685 1.00 0.00 H new ATOM 843 N LYS A 26 12.325 8.104 -16.699 1.00 0.00 N ATOM 844 CA LYS A 26 13.583 7.937 -15.900 1.00 0.00 C ATOM 845 C LYS A 26 13.355 6.969 -14.724 1.00 0.00 C ATOM 846 O LYS A 26 14.305 6.367 -14.228 1.00 0.00 O ATOM 847 CB LYS A 26 14.053 9.293 -15.357 1.00 0.00 C ATOM 848 CG LYS A 26 15.474 9.160 -14.806 1.00 0.00 C ATOM 849 CD LYS A 26 15.767 10.326 -13.859 1.00 0.00 C ATOM 850 CE LYS A 26 17.036 10.028 -13.058 1.00 0.00 C ATOM 851 NZ LYS A 26 16.731 9.023 -12.000 1.00 0.00 N ATOM 0 H LYS A 26 11.835 8.988 -16.564 1.00 0.00 H new ATOM 0 HA LYS A 26 14.348 7.525 -16.557 1.00 0.00 H new ATOM 0 HB2 LYS A 26 14.028 10.042 -16.149 1.00 0.00 H new ATOM 0 HB3 LYS A 26 13.378 9.636 -14.572 1.00 0.00 H new ATOM 0 HG2 LYS A 26 15.583 8.213 -14.278 1.00 0.00 H new ATOM 0 HG3 LYS A 26 16.194 9.153 -15.625 1.00 0.00 H new ATOM 0 HD2 LYS A 26 15.891 11.248 -14.428 1.00 0.00 H new ATOM 0 HD3 LYS A 26 14.926 10.480 -13.183 1.00 0.00 H new ATOM 0 HE2 LYS A 26 17.816 9.651 -13.719 1.00 0.00 H new ATOM 0 HE3 LYS A 26 17.417 10.944 -12.606 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 17.470 9.054 -11.269 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 15.809 9.240 -11.570 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 16.701 8.073 -12.422 1.00 0.00 H new ATOM 852 N LYS A 27 12.134 6.794 -14.257 1.00 0.00 N ATOM 853 CA LYS A 27 11.905 5.848 -13.119 1.00 0.00 C ATOM 854 C LYS A 27 11.900 4.396 -13.635 1.00 0.00 C ATOM 855 O LYS A 27 12.319 3.481 -12.927 1.00 0.00 O ATOM 856 CB LYS A 27 10.563 6.149 -12.440 1.00 0.00 C ATOM 857 CG LYS A 27 10.752 7.257 -11.401 1.00 0.00 C ATOM 858 CD LYS A 27 11.009 6.632 -10.028 1.00 0.00 C ATOM 859 CE LYS A 27 10.520 7.583 -8.934 1.00 0.00 C ATOM 860 NZ LYS A 27 11.248 8.879 -9.040 1.00 0.00 N ATOM 0 H LYS A 27 11.299 7.261 -14.612 1.00 0.00 H new ATOM 0 HA LYS A 27 12.710 5.975 -12.395 1.00 0.00 H new ATOM 0 HB2 LYS A 27 9.828 6.456 -13.184 1.00 0.00 H new ATOM 0 HB3 LYS A 27 10.176 5.249 -11.961 1.00 0.00 H new ATOM 0 HG2 LYS A 27 11.589 7.896 -11.684 1.00 0.00 H new ATOM 0 HG3 LYS A 27 9.866 7.890 -11.364 1.00 0.00 H new ATOM 0 HD2 LYS A 27 10.493 5.675 -9.950 1.00 0.00 H new ATOM 0 HD3 LYS A 27 12.073 6.432 -9.901 1.00 0.00 H new ATOM 0 HE2 LYS A 27 9.447 7.747 -9.033 1.00 0.00 H new ATOM 0 HE3 LYS A 27 10.685 7.140 -7.952 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 11.112 9.426 -8.166 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 12.262 8.697 -9.180 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 10.878 9.420 -9.848 1.00 0.00 H new ATOM 861 N SER A 28 11.433 4.153 -14.847 1.00 0.00 N ATOM 862 CA SER A 28 11.412 2.747 -15.366 1.00 0.00 C ATOM 863 C SER A 28 12.825 2.318 -15.797 1.00 0.00 C ATOM 864 O SER A 28 13.220 1.171 -15.589 1.00 0.00 O ATOM 865 CB SER A 28 10.465 2.640 -16.567 1.00 0.00 C ATOM 866 OG SER A 28 9.161 3.045 -16.174 1.00 0.00 O ATOM 0 H SER A 28 11.072 4.860 -15.487 1.00 0.00 H new ATOM 0 HA SER A 28 11.062 2.092 -14.568 1.00 0.00 H new ATOM 0 HB2 SER A 28 10.822 3.267 -17.384 1.00 0.00 H new ATOM 0 HB3 SER A 28 10.444 1.615 -16.938 1.00 0.00 H new ATOM 0 HG SER A 28 8.863 3.786 -16.743 1.00 0.00 H new ATOM 867 N LEU A 29 13.599 3.203 -16.393 1.00 0.00 N ATOM 868 CA LEU A 29 14.979 2.806 -16.829 1.00 0.00 C ATOM 869 C LEU A 29 15.877 2.620 -15.599 1.00 0.00 C ATOM 870 O LEU A 29 16.675 1.686 -15.537 1.00 0.00 O ATOM 871 CB LEU A 29 15.582 3.885 -17.739 1.00 0.00 C ATOM 872 CG LEU A 29 14.684 4.085 -18.962 1.00 0.00 C ATOM 873 CD1 LEU A 29 14.853 5.509 -19.495 1.00 0.00 C ATOM 874 CD2 LEU A 29 15.076 3.086 -20.051 1.00 0.00 C ATOM 0 H LEU A 29 13.338 4.169 -16.593 1.00 0.00 H new ATOM 0 HA LEU A 29 14.914 1.869 -17.382 1.00 0.00 H new ATOM 0 HB2 LEU A 29 15.682 4.822 -17.192 1.00 0.00 H new ATOM 0 HB3 LEU A 29 16.583 3.591 -18.054 1.00 0.00 H new ATOM 0 HG LEU A 29 13.644 3.925 -18.677 1.00 0.00 H new ATOM 0 HD11 LEU A 29 14.213 5.650 -20.366 1.00 0.00 H new ATOM 0 HD12 LEU A 29 14.574 6.223 -18.720 1.00 0.00 H new ATOM 0 HD13 LEU A 29 15.893 5.670 -19.779 1.00 0.00 H new ATOM 0 HD21 LEU A 29 14.437 3.228 -20.922 1.00 0.00 H new ATOM 0 HD22 LEU A 29 16.116 3.246 -20.334 1.00 0.00 H new ATOM 0 HD23 LEU A 29 14.955 2.071 -19.674 1.00 0.00 H new ATOM 875 N HIS A 30 15.769 3.485 -14.619 1.00 0.00 N ATOM 876 CA HIS A 30 16.627 3.339 -13.398 1.00 0.00 C ATOM 877 C HIS A 30 16.417 1.953 -12.762 1.00 0.00 C ATOM 878 O HIS A 30 17.339 1.393 -12.171 1.00 0.00 O ATOM 879 CB HIS A 30 16.275 4.421 -12.367 1.00 0.00 C ATOM 880 CG HIS A 30 17.487 4.731 -11.532 1.00 0.00 C ATOM 881 ND1 HIS A 30 17.438 4.779 -10.147 1.00 0.00 N ATOM 882 CD2 HIS A 30 18.788 5.011 -11.871 1.00 0.00 C ATOM 883 CE1 HIS A 30 18.674 5.077 -9.708 1.00 0.00 C ATOM 884 NE2 HIS A 30 19.535 5.229 -10.718 1.00 0.00 N ATOM 0 H HIS A 30 15.130 4.280 -14.610 1.00 0.00 H new ATOM 0 HA HIS A 30 17.669 3.448 -13.698 1.00 0.00 H new ATOM 0 HB2 HIS A 30 15.929 5.322 -12.873 1.00 0.00 H new ATOM 0 HB3 HIS A 30 15.459 4.080 -11.730 1.00 0.00 H new ATOM 0 HD2 HIS A 30 19.173 5.055 -12.879 1.00 0.00 H new ATOM 0 HE1 HIS A 30 18.938 5.181 -8.666 1.00 0.00 H new ATOM 0 HE2 HIS A 30 20.527 5.456 -10.657 1.00 0.00 H new ATOM 885 N ALA A 31 15.232 1.388 -12.855 1.00 0.00 N ATOM 886 CA ALA A 31 14.999 0.045 -12.234 1.00 0.00 C ATOM 887 C ALA A 31 15.526 -1.065 -13.158 1.00 0.00 C ATOM 888 O ALA A 31 16.492 -1.746 -12.828 1.00 0.00 O ATOM 889 CB ALA A 31 13.500 -0.170 -11.991 1.00 0.00 C ATOM 0 H ALA A 31 14.426 1.795 -13.329 1.00 0.00 H new ATOM 0 HA ALA A 31 15.530 0.007 -11.283 1.00 0.00 H new ATOM 0 HB1 ALA A 31 13.341 -1.149 -11.539 1.00 0.00 H new ATOM 0 HB2 ALA A 31 13.125 0.604 -11.321 1.00 0.00 H new ATOM 0 HB3 ALA A 31 12.966 -0.117 -12.940 1.00 0.00 H new ATOM 890 N ILE A 32 14.893 -1.290 -14.292 1.00 0.00 N ATOM 891 CA ILE A 32 15.337 -2.377 -15.209 1.00 0.00 C ATOM 892 C ILE A 32 16.873 -2.393 -15.403 1.00 0.00 C ATOM 893 O ILE A 32 17.528 -3.387 -15.092 1.00 0.00 O ATOM 894 CB ILE A 32 14.644 -2.257 -16.580 1.00 0.00 C ATOM 895 CG1 ILE A 32 14.426 -0.789 -17.030 1.00 0.00 C ATOM 896 CG2 ILE A 32 13.295 -2.976 -16.530 1.00 0.00 C ATOM 897 CD1 ILE A 32 15.005 -0.583 -18.433 1.00 0.00 C ATOM 0 H ILE A 32 14.084 -0.760 -14.616 1.00 0.00 H new ATOM 0 HA ILE A 32 15.049 -3.317 -14.738 1.00 0.00 H new ATOM 0 HB ILE A 32 15.307 -2.718 -17.312 1.00 0.00 H new ATOM 0 HG12 ILE A 32 13.362 -0.553 -17.028 1.00 0.00 H new ATOM 0 HG13 ILE A 32 14.905 -0.109 -16.326 1.00 0.00 H new ATOM 0 HG21 ILE A 32 12.802 -2.893 -17.499 1.00 0.00 H new ATOM 0 HG22 ILE A 32 13.452 -4.028 -16.292 1.00 0.00 H new ATOM 0 HG23 ILE A 32 12.668 -2.520 -15.764 1.00 0.00 H new ATOM 0 HD11 ILE A 32 14.849 0.450 -18.743 1.00 0.00 H new ATOM 0 HD12 ILE A 32 16.073 -0.801 -18.421 1.00 0.00 H new ATOM 0 HD13 ILE A 32 14.506 -1.252 -19.134 1.00 0.00 H new ATOM 898 N PHE A 33 17.458 -1.342 -15.924 1.00 0.00 N ATOM 899 CA PHE A 33 18.946 -1.342 -16.148 1.00 0.00 C ATOM 900 C PHE A 33 19.708 -1.497 -14.818 1.00 0.00 C ATOM 901 O PHE A 33 20.793 -2.077 -14.789 1.00 0.00 O ATOM 902 CB PHE A 33 19.379 -0.033 -16.823 1.00 0.00 C ATOM 903 CG PHE A 33 18.958 -0.052 -18.273 1.00 0.00 C ATOM 904 CD1 PHE A 33 19.380 -1.091 -19.110 1.00 0.00 C ATOM 905 CD2 PHE A 33 18.144 0.969 -18.777 1.00 0.00 C ATOM 906 CE1 PHE A 33 18.987 -1.109 -20.454 1.00 0.00 C ATOM 907 CE2 PHE A 33 17.752 0.951 -20.121 1.00 0.00 C ATOM 908 CZ PHE A 33 18.173 -0.088 -20.959 1.00 0.00 C ATOM 0 H PHE A 33 16.977 -0.487 -16.204 1.00 0.00 H new ATOM 0 HA PHE A 33 19.185 -2.188 -16.792 1.00 0.00 H new ATOM 0 HB2 PHE A 33 18.928 0.818 -16.313 1.00 0.00 H new ATOM 0 HB3 PHE A 33 20.460 0.087 -16.748 1.00 0.00 H new ATOM 0 HD1 PHE A 33 20.008 -1.878 -18.720 1.00 0.00 H new ATOM 0 HD2 PHE A 33 17.819 1.770 -18.130 1.00 0.00 H new ATOM 0 HE1 PHE A 33 19.312 -1.910 -21.101 1.00 0.00 H new ATOM 0 HE2 PHE A 33 17.125 1.739 -20.511 1.00 0.00 H new ATOM 0 HZ PHE A 33 17.870 -0.102 -21.995 1.00 0.00 H new ATOM 909 N SER A 34 19.190 -0.989 -13.720 1.00 0.00 N ATOM 910 CA SER A 34 19.932 -1.122 -12.418 1.00 0.00 C ATOM 911 C SER A 34 20.125 -2.608 -12.053 1.00 0.00 C ATOM 912 O SER A 34 21.126 -2.973 -11.441 1.00 0.00 O ATOM 913 CB SER A 34 19.158 -0.428 -11.291 1.00 0.00 C ATOM 914 OG SER A 34 19.578 -0.956 -10.039 1.00 0.00 O ATOM 0 H SER A 34 18.299 -0.495 -13.667 1.00 0.00 H new ATOM 0 HA SER A 34 20.907 -0.650 -12.537 1.00 0.00 H new ATOM 0 HB2 SER A 34 19.333 0.647 -11.322 1.00 0.00 H new ATOM 0 HB3 SER A 34 18.087 -0.581 -11.422 1.00 0.00 H new ATOM 0 HG SER A 34 19.086 -0.514 -9.316 1.00 0.00 H new ATOM 915 N ARG A 35 19.189 -3.475 -12.394 1.00 0.00 N ATOM 916 CA ARG A 35 19.339 -4.929 -12.037 1.00 0.00 C ATOM 917 C ARG A 35 20.738 -5.446 -12.414 1.00 0.00 C ATOM 918 O ARG A 35 21.311 -6.270 -11.703 1.00 0.00 O ATOM 919 CB ARG A 35 18.286 -5.772 -12.782 1.00 0.00 C ATOM 920 CG ARG A 35 16.874 -5.425 -12.288 1.00 0.00 C ATOM 921 CD ARG A 35 16.781 -5.643 -10.777 1.00 0.00 C ATOM 922 NE ARG A 35 15.352 -5.766 -10.376 1.00 0.00 N ATOM 923 CZ ARG A 35 14.895 -5.067 -9.372 1.00 0.00 C ATOM 924 NH1 ARG A 35 15.085 -3.777 -9.335 1.00 0.00 N ATOM 925 NH2 ARG A 35 14.248 -5.660 -8.405 1.00 0.00 N ATOM 0 H ARG A 35 18.335 -3.239 -12.900 1.00 0.00 H new ATOM 0 HA ARG A 35 19.198 -5.022 -10.960 1.00 0.00 H new ATOM 0 HB2 ARG A 35 18.358 -5.590 -13.854 1.00 0.00 H new ATOM 0 HB3 ARG A 35 18.483 -6.833 -12.625 1.00 0.00 H new ATOM 0 HG2 ARG A 35 16.640 -4.388 -12.529 1.00 0.00 H new ATOM 0 HG3 ARG A 35 16.138 -6.045 -12.799 1.00 0.00 H new ATOM 0 HD2 ARG A 35 17.327 -6.543 -10.495 1.00 0.00 H new ATOM 0 HD3 ARG A 35 17.246 -4.810 -10.250 1.00 0.00 H new ATOM 0 HE ARG A 35 14.731 -6.395 -10.885 1.00 0.00 H new ATOM 0 HH11 ARG A 35 15.591 -3.314 -10.090 1.00 0.00 H new ATOM 0 HH12 ARG A 35 14.728 -3.231 -8.551 1.00 0.00 H new ATOM 0 HH21 ARG A 35 14.100 -6.669 -8.434 1.00 0.00 H new ATOM 0 HH22 ARG A 35 13.891 -5.114 -7.621 1.00 0.00 H new ATOM 926 N PHE A 36 21.297 -5.000 -13.517 1.00 0.00 N ATOM 927 CA PHE A 36 22.644 -5.498 -13.916 1.00 0.00 C ATOM 928 C PHE A 36 23.722 -4.463 -13.552 1.00 0.00 C ATOM 929 O PHE A 36 24.303 -3.824 -14.428 1.00 0.00 O ATOM 930 CB PHE A 36 22.667 -5.752 -15.431 1.00 0.00 C ATOM 931 CG PHE A 36 21.419 -6.502 -15.876 1.00 0.00 C ATOM 932 CD1 PHE A 36 20.809 -7.453 -15.039 1.00 0.00 C ATOM 933 CD2 PHE A 36 20.875 -6.242 -17.140 1.00 0.00 C ATOM 934 CE1 PHE A 36 19.665 -8.134 -15.468 1.00 0.00 C ATOM 935 CE2 PHE A 36 19.729 -6.924 -17.567 1.00 0.00 C ATOM 936 CZ PHE A 36 19.125 -7.870 -16.732 1.00 0.00 C ATOM 0 H PHE A 36 20.879 -4.318 -14.150 1.00 0.00 H new ATOM 0 HA PHE A 36 22.851 -6.427 -13.384 1.00 0.00 H new ATOM 0 HB2 PHE A 36 22.734 -4.802 -15.962 1.00 0.00 H new ATOM 0 HB3 PHE A 36 23.555 -6.327 -15.694 1.00 0.00 H new ATOM 0 HD1 PHE A 36 21.224 -7.658 -14.063 1.00 0.00 H new ATOM 0 HD2 PHE A 36 21.341 -5.513 -17.787 1.00 0.00 H new ATOM 0 HE1 PHE A 36 19.198 -8.864 -14.823 1.00 0.00 H new ATOM 0 HE2 PHE A 36 19.311 -6.720 -18.542 1.00 0.00 H new ATOM 0 HZ PHE A 36 18.242 -8.397 -17.063 1.00 0.00 H new ATOM 937 N GLY A 37 24.014 -4.288 -12.279 1.00 0.00 N ATOM 938 CA GLY A 37 25.065 -3.304 -11.885 1.00 0.00 C ATOM 939 C GLY A 37 24.413 -2.001 -11.403 1.00 0.00 C ATOM 940 O GLY A 37 23.297 -2.007 -10.890 1.00 0.00 O ATOM 0 H GLY A 37 23.570 -4.783 -11.506 1.00 0.00 H new ATOM 0 HA2 GLY A 37 25.688 -3.722 -11.094 1.00 0.00 H new ATOM 0 HA3 GLY A 37 25.720 -3.100 -12.732 1.00 0.00 H new ATOM 941 N GLN A 38 25.087 -0.880 -11.551 1.00 0.00 N ATOM 942 CA GLN A 38 24.494 0.411 -11.095 1.00 0.00 C ATOM 943 C GLN A 38 24.442 1.392 -12.273 1.00 0.00 C ATOM 944 O GLN A 38 25.287 1.351 -13.165 1.00 0.00 O ATOM 945 CB GLN A 38 25.358 1.004 -9.979 1.00 0.00 C ATOM 946 CG GLN A 38 24.572 2.095 -9.250 1.00 0.00 C ATOM 947 CD GLN A 38 25.139 2.279 -7.837 1.00 0.00 C ATOM 948 OE1 GLN A 38 24.876 1.468 -6.952 1.00 0.00 O ATOM 949 NE2 GLN A 38 25.911 3.305 -7.570 1.00 0.00 N ATOM 0 H GLN A 38 26.016 -0.809 -11.966 1.00 0.00 H new ATOM 0 HA GLN A 38 23.486 0.235 -10.720 1.00 0.00 H new ATOM 0 HB2 GLN A 38 25.652 0.223 -9.278 1.00 0.00 H new ATOM 0 HB3 GLN A 38 26.275 1.419 -10.396 1.00 0.00 H new ATOM 0 HG2 GLN A 38 24.633 3.033 -9.803 1.00 0.00 H new ATOM 0 HG3 GLN A 38 23.517 1.824 -9.197 1.00 0.00 H new ATOM 0 HE21 GLN A 38 26.132 3.981 -8.301 1.00 0.00 H new ATOM 0 HE22 GLN A 38 26.290 3.427 -6.631 1.00 0.00 H new ATOM 950 N ILE A 39 23.470 2.277 -12.299 1.00 0.00 N ATOM 951 CA ILE A 39 23.382 3.250 -13.425 1.00 0.00 C ATOM 952 C ILE A 39 23.971 4.596 -12.981 1.00 0.00 C ATOM 953 O ILE A 39 23.626 5.114 -11.921 1.00 0.00 O ATOM 954 CB ILE A 39 21.918 3.440 -13.827 1.00 0.00 C ATOM 955 CG1 ILE A 39 21.297 2.079 -14.155 1.00 0.00 C ATOM 956 CG2 ILE A 39 21.839 4.342 -15.060 1.00 0.00 C ATOM 957 CD1 ILE A 39 19.777 2.167 -14.018 1.00 0.00 C ATOM 0 H ILE A 39 22.741 2.363 -11.591 1.00 0.00 H new ATOM 0 HA ILE A 39 23.943 2.870 -14.279 1.00 0.00 H new ATOM 0 HB ILE A 39 21.374 3.901 -13.002 1.00 0.00 H new ATOM 0 HG12 ILE A 39 21.565 1.780 -15.168 1.00 0.00 H new ATOM 0 HG13 ILE A 39 21.690 1.316 -13.483 1.00 0.00 H new ATOM 0 HG21 ILE A 39 20.796 4.477 -15.346 1.00 0.00 H new ATOM 0 HG22 ILE A 39 22.281 5.312 -14.830 1.00 0.00 H new ATOM 0 HG23 ILE A 39 22.384 3.881 -15.884 1.00 0.00 H new ATOM 0 HD11 ILE A 39 19.334 1.199 -14.251 1.00 0.00 H new ATOM 0 HD12 ILE A 39 19.519 2.447 -12.997 1.00 0.00 H new ATOM 0 HD13 ILE A 39 19.392 2.918 -14.708 1.00 0.00 H new ATOM 958 N LEU A 40 24.856 5.177 -13.763 1.00 0.00 N ATOM 959 CA LEU A 40 25.454 6.487 -13.363 1.00 0.00 C ATOM 960 C LEU A 40 24.481 7.623 -13.708 1.00 0.00 C ATOM 961 O LEU A 40 24.304 8.558 -12.929 1.00 0.00 O ATOM 962 CB LEU A 40 26.786 6.709 -14.099 1.00 0.00 C ATOM 963 CG LEU A 40 27.856 7.171 -13.107 1.00 0.00 C ATOM 964 CD1 LEU A 40 28.328 5.979 -12.272 1.00 0.00 C ATOM 965 CD2 LEU A 40 29.043 7.755 -13.876 1.00 0.00 C ATOM 0 H LEU A 40 25.185 4.801 -14.652 1.00 0.00 H new ATOM 0 HA LEU A 40 25.640 6.478 -12.289 1.00 0.00 H new ATOM 0 HB2 LEU A 40 27.102 5.786 -14.585 1.00 0.00 H new ATOM 0 HB3 LEU A 40 26.658 7.455 -14.884 1.00 0.00 H new ATOM 0 HG LEU A 40 27.437 7.932 -12.449 1.00 0.00 H new ATOM 0 HD11 LEU A 40 29.090 6.308 -11.566 1.00 0.00 H new ATOM 0 HD12 LEU A 40 27.483 5.560 -11.725 1.00 0.00 H new ATOM 0 HD13 LEU A 40 28.748 5.218 -12.929 1.00 0.00 H new ATOM 0 HD21 LEU A 40 29.806 8.085 -13.171 1.00 0.00 H new ATOM 0 HD22 LEU A 40 29.461 6.993 -14.533 1.00 0.00 H new ATOM 0 HD23 LEU A 40 28.708 8.604 -14.472 1.00 0.00 H new ATOM 966 N ASP A 41 23.845 7.567 -14.857 1.00 0.00 N ATOM 967 CA ASP A 41 22.891 8.658 -15.229 1.00 0.00 C ATOM 968 C ASP A 41 22.025 8.231 -16.428 1.00 0.00 C ATOM 969 O ASP A 41 22.407 7.355 -17.203 1.00 0.00 O ATOM 970 CB ASP A 41 23.679 9.918 -15.596 1.00 0.00 C ATOM 971 CG ASP A 41 22.769 11.142 -15.480 1.00 0.00 C ATOM 972 OD1 ASP A 41 22.679 11.687 -14.392 1.00 0.00 O ATOM 973 OD2 ASP A 41 22.177 11.513 -16.480 1.00 0.00 O ATOM 0 H ASP A 41 23.945 6.821 -15.545 1.00 0.00 H new ATOM 0 HA ASP A 41 22.240 8.861 -14.379 1.00 0.00 H new ATOM 0 HB2 ASP A 41 24.539 10.027 -14.935 1.00 0.00 H new ATOM 0 HB3 ASP A 41 24.066 9.835 -16.612 1.00 0.00 H new ATOM 974 N ILE A 42 20.869 8.837 -16.602 1.00 0.00 N ATOM 975 CA ILE A 42 19.996 8.466 -17.753 1.00 0.00 C ATOM 976 C ILE A 42 19.465 9.747 -18.412 1.00 0.00 C ATOM 977 O ILE A 42 18.820 10.567 -17.760 1.00 0.00 O ATOM 978 CB ILE A 42 18.822 7.624 -17.251 1.00 0.00 C ATOM 979 CG1 ILE A 42 19.357 6.422 -16.469 1.00 0.00 C ATOM 980 CG2 ILE A 42 18.002 7.130 -18.444 1.00 0.00 C ATOM 981 CD1 ILE A 42 18.193 5.677 -15.815 1.00 0.00 C ATOM 0 H ILE A 42 20.499 9.569 -15.996 1.00 0.00 H new ATOM 0 HA ILE A 42 20.568 7.889 -18.480 1.00 0.00 H new ATOM 0 HB ILE A 42 18.190 8.230 -16.602 1.00 0.00 H new ATOM 0 HG12 ILE A 42 19.901 5.754 -17.137 1.00 0.00 H new ATOM 0 HG13 ILE A 42 20.062 6.755 -15.708 1.00 0.00 H new ATOM 0 HG21 ILE A 42 17.165 6.530 -18.087 1.00 0.00 H new ATOM 0 HG22 ILE A 42 17.623 7.985 -19.004 1.00 0.00 H new ATOM 0 HG23 ILE A 42 18.633 6.523 -19.093 1.00 0.00 H new ATOM 0 HD11 ILE A 42 18.575 4.821 -15.259 1.00 0.00 H new ATOM 0 HD12 ILE A 42 17.668 6.347 -15.134 1.00 0.00 H new ATOM 0 HD13 ILE A 42 17.504 5.330 -16.585 1.00 0.00 H new ATOM 982 N LEU A 43 19.726 9.947 -19.686 1.00 0.00 N ATOM 983 CA LEU A 43 19.236 11.185 -20.358 1.00 0.00 C ATOM 984 C LEU A 43 17.989 10.868 -21.199 1.00 0.00 C ATOM 985 O LEU A 43 17.984 9.925 -21.989 1.00 0.00 O ATOM 986 CB LEU A 43 20.334 11.738 -21.269 1.00 0.00 C ATOM 987 CG LEU A 43 21.282 12.617 -20.451 1.00 0.00 C ATOM 988 CD1 LEU A 43 22.397 11.752 -19.860 1.00 0.00 C ATOM 989 CD2 LEU A 43 21.896 13.686 -21.359 1.00 0.00 C ATOM 0 H LEU A 43 20.254 9.308 -20.281 1.00 0.00 H new ATOM 0 HA LEU A 43 18.979 11.925 -19.600 1.00 0.00 H new ATOM 0 HB2 LEU A 43 20.887 10.919 -21.729 1.00 0.00 H new ATOM 0 HB3 LEU A 43 19.891 12.318 -22.079 1.00 0.00 H new ATOM 0 HG LEU A 43 20.727 13.097 -19.645 1.00 0.00 H new ATOM 0 HD11 LEU A 43 23.073 12.378 -19.277 1.00 0.00 H new ATOM 0 HD12 LEU A 43 21.962 10.989 -19.215 1.00 0.00 H new ATOM 0 HD13 LEU A 43 22.952 11.272 -20.666 1.00 0.00 H new ATOM 0 HD21 LEU A 43 22.572 14.313 -20.777 1.00 0.00 H new ATOM 0 HD22 LEU A 43 22.451 13.204 -22.164 1.00 0.00 H new ATOM 0 HD23 LEU A 43 21.103 14.303 -21.783 1.00 0.00 H new ATOM 990 N VAL A 44 16.934 11.640 -21.055 1.00 0.00 N ATOM 991 CA VAL A 44 15.702 11.381 -21.855 1.00 0.00 C ATOM 992 C VAL A 44 15.284 12.680 -22.558 1.00 0.00 C ATOM 993 O VAL A 44 15.309 13.753 -21.957 1.00 0.00 O ATOM 994 CB VAL A 44 14.574 10.911 -20.934 1.00 0.00 C ATOM 995 CG1 VAL A 44 14.917 9.531 -20.370 1.00 0.00 C ATOM 996 CG2 VAL A 44 14.404 11.903 -19.781 1.00 0.00 C ATOM 0 H VAL A 44 16.878 12.435 -20.418 1.00 0.00 H new ATOM 0 HA VAL A 44 15.902 10.606 -22.595 1.00 0.00 H new ATOM 0 HB VAL A 44 13.646 10.853 -21.502 1.00 0.00 H new ATOM 0 HG11 VAL A 44 14.114 9.196 -19.714 1.00 0.00 H new ATOM 0 HG12 VAL A 44 15.036 8.822 -21.190 1.00 0.00 H new ATOM 0 HG13 VAL A 44 15.847 9.590 -19.804 1.00 0.00 H new ATOM 0 HG21 VAL A 44 13.600 11.566 -19.127 1.00 0.00 H new ATOM 0 HG22 VAL A 44 15.333 11.964 -19.213 1.00 0.00 H new ATOM 0 HG23 VAL A 44 14.158 12.887 -20.181 1.00 0.00 H new ATOM 997 N SER A 45 14.907 12.618 -23.818 1.00 0.00 N ATOM 998 CA SER A 45 14.504 13.865 -24.531 1.00 0.00 C ATOM 999 C SER A 45 13.198 13.630 -25.300 1.00 0.00 C ATOM 1000 O SER A 45 12.831 12.491 -25.587 1.00 0.00 O ATOM 1001 CB SER A 45 15.604 14.268 -25.512 1.00 0.00 C ATOM 1002 OG SER A 45 15.291 15.533 -26.076 1.00 0.00 O ATOM 0 H SER A 45 14.863 11.764 -24.374 1.00 0.00 H new ATOM 0 HA SER A 45 14.352 14.660 -23.801 1.00 0.00 H new ATOM 0 HB2 SER A 45 16.565 14.313 -25.000 1.00 0.00 H new ATOM 0 HB3 SER A 45 15.697 13.519 -26.299 1.00 0.00 H new ATOM 0 HG SER A 45 15.996 15.794 -26.704 1.00 0.00 H new ATOM 1003 N ARG A 46 12.486 14.682 -25.648 1.00 0.00 N ATOM 1004 CA ARG A 46 11.212 14.502 -26.401 1.00 0.00 C ATOM 1005 C ARG A 46 11.208 15.418 -27.635 1.00 0.00 C ATOM 1006 O ARG A 46 10.173 15.978 -27.995 1.00 0.00 O ATOM 1007 CB ARG A 46 10.030 14.859 -25.497 1.00 0.00 C ATOM 1008 CG ARG A 46 9.514 13.594 -24.803 1.00 0.00 C ATOM 1009 CD ARG A 46 7.990 13.657 -24.688 1.00 0.00 C ATOM 1010 NE ARG A 46 7.606 14.743 -23.743 1.00 0.00 N ATOM 1011 CZ ARG A 46 6.846 15.723 -24.150 1.00 0.00 C ATOM 1012 NH1 ARG A 46 5.613 15.488 -24.507 1.00 0.00 N ATOM 1013 NH2 ARG A 46 7.320 16.938 -24.200 1.00 0.00 N ATOM 0 H ARG A 46 12.736 15.649 -25.441 1.00 0.00 H new ATOM 0 HA ARG A 46 11.125 13.464 -26.721 1.00 0.00 H new ATOM 0 HB2 ARG A 46 10.337 15.595 -24.753 1.00 0.00 H new ATOM 0 HB3 ARG A 46 9.233 15.314 -26.086 1.00 0.00 H new ATOM 0 HG2 ARG A 46 9.810 12.710 -25.369 1.00 0.00 H new ATOM 0 HG3 ARG A 46 9.960 13.503 -23.813 1.00 0.00 H new ATOM 0 HD2 ARG A 46 7.548 13.840 -25.668 1.00 0.00 H new ATOM 0 HD3 ARG A 46 7.602 12.701 -24.337 1.00 0.00 H new ATOM 0 HE ARG A 46 7.937 14.721 -22.778 1.00 0.00 H new ATOM 0 HH11 ARG A 46 5.243 14.538 -24.468 1.00 0.00 H new ATOM 0 HH12 ARG A 46 5.019 16.254 -24.825 1.00 0.00 H new ATOM 0 HH21 ARG A 46 8.284 17.121 -23.921 1.00 0.00 H new ATOM 0 HH22 ARG A 46 6.727 17.704 -24.518 1.00 0.00 H new ATOM 1014 N SER A 47 12.333 15.580 -28.302 1.00 0.00 N ATOM 1015 CA SER A 47 12.358 16.456 -29.513 1.00 0.00 C ATOM 1016 C SER A 47 12.016 15.607 -30.746 1.00 0.00 C ATOM 1017 O SER A 47 12.016 14.378 -30.678 1.00 0.00 O ATOM 1018 CB SER A 47 13.750 17.073 -29.685 1.00 0.00 C ATOM 1019 OG SER A 47 13.977 17.342 -31.062 1.00 0.00 O ATOM 0 H SER A 47 13.224 15.146 -28.059 1.00 0.00 H new ATOM 0 HA SER A 47 11.629 17.258 -29.399 1.00 0.00 H new ATOM 0 HB2 SER A 47 13.827 17.993 -29.105 1.00 0.00 H new ATOM 0 HB3 SER A 47 14.512 16.392 -29.305 1.00 0.00 H new ATOM 0 HG SER A 47 14.866 17.738 -31.176 1.00 0.00 H new ATOM 1020 N LEU A 48 11.719 16.222 -31.873 1.00 0.00 N ATOM 1021 CA LEU A 48 11.377 15.409 -33.090 1.00 0.00 C ATOM 1022 C LEU A 48 12.530 14.444 -33.408 1.00 0.00 C ATOM 1023 O LEU A 48 12.302 13.290 -33.766 1.00 0.00 O ATOM 1024 CB LEU A 48 11.146 16.325 -34.298 1.00 0.00 C ATOM 1025 CG LEU A 48 10.247 15.624 -35.319 1.00 0.00 C ATOM 1026 CD1 LEU A 48 9.311 16.650 -35.969 1.00 0.00 C ATOM 1027 CD2 LEU A 48 11.116 14.967 -36.396 1.00 0.00 C ATOM 0 H LEU A 48 11.699 17.234 -32.001 1.00 0.00 H new ATOM 0 HA LEU A 48 10.466 14.847 -32.886 1.00 0.00 H new ATOM 0 HB2 LEU A 48 10.685 17.258 -33.975 1.00 0.00 H new ATOM 0 HB3 LEU A 48 12.100 16.583 -34.757 1.00 0.00 H new ATOM 0 HG LEU A 48 9.652 14.861 -34.817 1.00 0.00 H new ATOM 0 HD11 LEU A 48 8.671 16.150 -36.696 1.00 0.00 H new ATOM 0 HD12 LEU A 48 8.693 17.116 -35.202 1.00 0.00 H new ATOM 0 HD13 LEU A 48 9.903 17.415 -36.472 1.00 0.00 H new ATOM 0 HD21 LEU A 48 10.477 14.467 -37.124 1.00 0.00 H new ATOM 0 HD22 LEU A 48 11.711 15.730 -36.898 1.00 0.00 H new ATOM 0 HD23 LEU A 48 11.779 14.236 -35.933 1.00 0.00 H new ATOM 1028 N LYS A 49 13.764 14.887 -33.289 1.00 0.00 N ATOM 1029 CA LYS A 49 14.914 13.975 -33.593 1.00 0.00 C ATOM 1030 C LYS A 49 15.058 12.934 -32.473 1.00 0.00 C ATOM 1031 O LYS A 49 15.330 11.764 -32.736 1.00 0.00 O ATOM 1032 CB LYS A 49 16.216 14.779 -33.706 1.00 0.00 C ATOM 1033 CG LYS A 49 16.233 15.544 -35.030 1.00 0.00 C ATOM 1034 CD LYS A 49 16.585 14.585 -36.169 1.00 0.00 C ATOM 1035 CE LYS A 49 15.886 15.039 -37.453 1.00 0.00 C ATOM 1036 NZ LYS A 49 16.306 14.163 -38.582 1.00 0.00 N ATOM 0 H LYS A 49 14.020 15.830 -32.998 1.00 0.00 H new ATOM 0 HA LYS A 49 14.721 13.473 -34.541 1.00 0.00 H new ATOM 0 HB2 LYS A 49 16.299 15.475 -32.871 1.00 0.00 H new ATOM 0 HB3 LYS A 49 17.075 14.110 -33.650 1.00 0.00 H new ATOM 0 HG2 LYS A 49 15.259 15.999 -35.212 1.00 0.00 H new ATOM 0 HG3 LYS A 49 16.961 16.354 -34.985 1.00 0.00 H new ATOM 0 HD2 LYS A 49 17.664 14.562 -36.319 1.00 0.00 H new ATOM 0 HD3 LYS A 49 16.277 13.571 -35.913 1.00 0.00 H new ATOM 0 HE2 LYS A 49 14.804 14.994 -37.326 1.00 0.00 H new ATOM 0 HE3 LYS A 49 16.139 16.077 -37.670 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 15.832 14.470 -39.455 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 17.336 14.227 -38.707 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 16.043 13.178 -38.374 1.00 0.00 H new ATOM 1037 N MET A 50 14.881 13.325 -31.228 1.00 0.00 N ATOM 1038 CA MET A 50 15.014 12.340 -30.115 1.00 0.00 C ATOM 1039 C MET A 50 13.625 11.805 -29.739 1.00 0.00 C ATOM 1040 O MET A 50 13.200 11.902 -28.587 1.00 0.00 O ATOM 1041 CB MET A 50 15.653 13.020 -28.898 1.00 0.00 C ATOM 1042 CG MET A 50 16.594 12.039 -28.192 1.00 0.00 C ATOM 1043 SD MET A 50 18.104 12.905 -27.695 1.00 0.00 S ATOM 1044 CE MET A 50 19.091 12.494 -29.155 1.00 0.00 C ATOM 0 H MET A 50 14.652 14.277 -30.942 1.00 0.00 H new ATOM 0 HA MET A 50 15.647 11.512 -30.436 1.00 0.00 H new ATOM 0 HB2 MET A 50 16.205 13.906 -29.213 1.00 0.00 H new ATOM 0 HB3 MET A 50 14.878 13.356 -28.209 1.00 0.00 H new ATOM 0 HG2 MET A 50 16.102 11.612 -27.318 1.00 0.00 H new ATOM 0 HG3 MET A 50 16.839 11.211 -28.857 1.00 0.00 H new ATOM 0 HE1 MET A 50 20.113 12.844 -29.013 1.00 0.00 H new ATOM 0 HE2 MET A 50 19.094 11.414 -29.300 1.00 0.00 H new ATOM 0 HE3 MET A 50 18.661 12.976 -30.033 1.00 0.00 H new ATOM 1045 N ARG A 51 12.901 11.241 -30.683 1.00 0.00 N ATOM 1046 CA ARG A 51 11.546 10.709 -30.363 1.00 0.00 C ATOM 1047 C ARG A 51 11.574 9.174 -30.413 1.00 0.00 C ATOM 1048 O ARG A 51 12.035 8.584 -31.389 1.00 0.00 O ATOM 1049 CB ARG A 51 10.538 11.235 -31.389 1.00 0.00 C ATOM 1050 CG ARG A 51 9.227 11.596 -30.687 1.00 0.00 C ATOM 1051 CD ARG A 51 8.352 12.422 -31.633 1.00 0.00 C ATOM 1052 NE ARG A 51 7.607 13.448 -30.851 1.00 0.00 N ATOM 1053 CZ ARG A 51 6.759 13.080 -29.930 1.00 0.00 C ATOM 1054 NH1 ARG A 51 7.171 12.883 -28.706 1.00 0.00 N ATOM 1055 NH2 ARG A 51 5.501 12.909 -30.230 1.00 0.00 N ATOM 0 H ARG A 51 13.194 11.130 -31.654 1.00 0.00 H new ATOM 0 HA ARG A 51 11.253 11.034 -29.365 1.00 0.00 H new ATOM 0 HB2 ARG A 51 10.944 12.111 -31.895 1.00 0.00 H new ATOM 0 HB3 ARG A 51 10.356 10.480 -32.154 1.00 0.00 H new ATOM 0 HG2 ARG A 51 8.701 10.690 -30.387 1.00 0.00 H new ATOM 0 HG3 ARG A 51 9.433 12.161 -29.778 1.00 0.00 H new ATOM 0 HD2 ARG A 51 8.971 12.904 -32.390 1.00 0.00 H new ATOM 0 HD3 ARG A 51 7.653 11.772 -32.160 1.00 0.00 H new ATOM 0 HE ARG A 51 7.760 14.439 -31.036 1.00 0.00 H new ATOM 0 HH11 ARG A 51 8.155 13.017 -28.471 1.00 0.00 H new ATOM 0 HH12 ARG A 51 6.509 12.595 -27.985 1.00 0.00 H new ATOM 0 HH21 ARG A 51 5.179 13.063 -31.186 1.00 0.00 H new ATOM 0 HH22 ARG A 51 4.839 12.621 -29.509 1.00 0.00 H new ATOM 1056 N GLY A 52 11.088 8.509 -29.387 1.00 0.00 N ATOM 1057 CA GLY A 52 11.092 7.016 -29.396 1.00 0.00 C ATOM 1058 C GLY A 52 12.520 6.500 -29.166 1.00 0.00 C ATOM 1059 O GLY A 52 12.951 5.541 -29.804 1.00 0.00 O ATOM 0 H GLY A 52 10.692 8.937 -28.550 1.00 0.00 H new ATOM 0 HA2 GLY A 52 10.428 6.636 -28.619 1.00 0.00 H new ATOM 0 HA3 GLY A 52 10.711 6.648 -30.348 1.00 0.00 H new ATOM 1060 N GLN A 53 13.266 7.108 -28.268 1.00 0.00 N ATOM 1061 CA GLN A 53 14.662 6.631 -28.016 1.00 0.00 C ATOM 1062 C GLN A 53 15.167 7.169 -26.666 1.00 0.00 C ATOM 1063 O GLN A 53 14.715 8.213 -26.198 1.00 0.00 O ATOM 1064 CB GLN A 53 15.580 7.128 -29.135 1.00 0.00 C ATOM 1065 CG GLN A 53 15.430 8.643 -29.292 1.00 0.00 C ATOM 1066 CD GLN A 53 16.127 9.095 -30.580 1.00 0.00 C ATOM 1067 OE1 GLN A 53 17.309 9.432 -30.563 1.00 0.00 O ATOM 1068 NE2 GLN A 53 15.461 9.124 -31.709 1.00 0.00 N ATOM 0 H GLN A 53 12.969 7.906 -27.706 1.00 0.00 H new ATOM 0 HA GLN A 53 14.667 5.541 -27.992 1.00 0.00 H new ATOM 0 HB2 GLN A 53 16.616 6.877 -28.907 1.00 0.00 H new ATOM 0 HB3 GLN A 53 15.330 6.629 -30.072 1.00 0.00 H new ATOM 0 HG2 GLN A 53 14.375 8.913 -29.323 1.00 0.00 H new ATOM 0 HG3 GLN A 53 15.865 9.153 -28.432 1.00 0.00 H new ATOM 0 HE21 GLN A 53 14.480 8.846 -31.730 1.00 0.00 H new ATOM 0 HE22 GLN A 53 15.924 9.425 -32.567 1.00 0.00 H new ATOM 1069 N ALA A 54 16.091 6.483 -26.026 1.00 0.00 N ATOM 1070 CA ALA A 54 16.603 6.974 -24.714 1.00 0.00 C ATOM 1071 C ALA A 54 18.106 6.682 -24.600 1.00 0.00 C ATOM 1072 O ALA A 54 18.674 5.969 -25.425 1.00 0.00 O ATOM 1073 CB ALA A 54 15.859 6.264 -23.580 1.00 0.00 C ATOM 0 H ALA A 54 16.506 5.612 -26.357 1.00 0.00 H new ATOM 0 HA ALA A 54 16.439 8.049 -24.643 1.00 0.00 H new ATOM 0 HB1 ALA A 54 16.232 6.622 -22.620 1.00 0.00 H new ATOM 0 HB2 ALA A 54 14.792 6.475 -23.656 1.00 0.00 H new ATOM 0 HB3 ALA A 54 16.022 5.189 -23.655 1.00 0.00 H new ATOM 1074 N PHE A 55 18.766 7.215 -23.593 1.00 0.00 N ATOM 1075 CA PHE A 55 20.226 6.958 -23.437 1.00 0.00 C ATOM 1076 C PHE A 55 20.508 6.508 -21.997 1.00 0.00 C ATOM 1077 O PHE A 55 19.997 7.098 -21.046 1.00 0.00 O ATOM 1078 CB PHE A 55 21.007 8.242 -23.727 1.00 0.00 C ATOM 1079 CG PHE A 55 20.842 8.619 -25.181 1.00 0.00 C ATOM 1080 CD1 PHE A 55 19.721 9.349 -25.592 1.00 0.00 C ATOM 1081 CD2 PHE A 55 21.814 8.242 -26.116 1.00 0.00 C ATOM 1082 CE1 PHE A 55 19.570 9.702 -26.938 1.00 0.00 C ATOM 1083 CE2 PHE A 55 21.663 8.594 -27.462 1.00 0.00 C ATOM 1084 CZ PHE A 55 20.542 9.324 -27.873 1.00 0.00 C ATOM 0 H PHE A 55 18.352 7.814 -22.878 1.00 0.00 H new ATOM 0 HA PHE A 55 20.535 6.180 -24.135 1.00 0.00 H new ATOM 0 HB2 PHE A 55 20.649 9.050 -23.089 1.00 0.00 H new ATOM 0 HB3 PHE A 55 22.062 8.098 -23.496 1.00 0.00 H new ATOM 0 HD1 PHE A 55 18.972 9.640 -24.870 1.00 0.00 H new ATOM 0 HD2 PHE A 55 22.680 7.680 -25.798 1.00 0.00 H new ATOM 0 HE1 PHE A 55 18.705 10.265 -27.255 1.00 0.00 H new ATOM 0 HE2 PHE A 55 22.412 8.302 -28.184 1.00 0.00 H new ATOM 0 HZ PHE A 55 20.426 9.596 -28.912 1.00 0.00 H new ATOM 1085 N VAL A 56 21.304 5.478 -21.806 1.00 0.00 N ATOM 1086 CA VAL A 56 21.597 5.017 -20.418 1.00 0.00 C ATOM 1087 C VAL A 56 23.113 4.860 -20.239 1.00 0.00 C ATOM 1088 O VAL A 56 23.827 4.529 -21.181 1.00 0.00 O ATOM 1089 CB VAL A 56 20.907 3.672 -20.170 1.00 0.00 C ATOM 1090 CG1 VAL A 56 21.173 3.208 -18.735 1.00 0.00 C ATOM 1091 CG2 VAL A 56 19.400 3.827 -20.381 1.00 0.00 C ATOM 0 H VAL A 56 21.757 4.944 -22.548 1.00 0.00 H new ATOM 0 HA VAL A 56 21.224 5.752 -19.704 1.00 0.00 H new ATOM 0 HB VAL A 56 21.302 2.933 -20.867 1.00 0.00 H new ATOM 0 HG11 VAL A 56 20.680 2.251 -18.565 1.00 0.00 H new ATOM 0 HG12 VAL A 56 22.246 3.095 -18.582 1.00 0.00 H new ATOM 0 HG13 VAL A 56 20.783 3.947 -18.035 1.00 0.00 H new ATOM 0 HG21 VAL A 56 18.908 2.871 -20.205 1.00 0.00 H new ATOM 0 HG22 VAL A 56 19.010 4.570 -19.685 1.00 0.00 H new ATOM 0 HG23 VAL A 56 19.207 4.151 -21.404 1.00 0.00 H new ATOM 1092 N ILE A 57 23.622 5.088 -19.048 1.00 0.00 N ATOM 1093 CA ILE A 57 25.088 4.942 -18.826 1.00 0.00 C ATOM 1094 C ILE A 57 25.320 3.973 -17.660 1.00 0.00 C ATOM 1095 O ILE A 57 24.521 3.917 -16.726 1.00 0.00 O ATOM 1096 CB ILE A 57 25.690 6.308 -18.492 1.00 0.00 C ATOM 1097 CG1 ILE A 57 25.383 7.291 -19.628 1.00 0.00 C ATOM 1098 CG2 ILE A 57 27.206 6.176 -18.329 1.00 0.00 C ATOM 1099 CD1 ILE A 57 25.154 8.691 -19.054 1.00 0.00 C ATOM 0 H ILE A 57 23.084 5.367 -18.228 1.00 0.00 H new ATOM 0 HA ILE A 57 25.564 4.552 -19.726 1.00 0.00 H new ATOM 0 HB ILE A 57 25.257 6.677 -17.562 1.00 0.00 H new ATOM 0 HG12 ILE A 57 26.210 7.310 -20.338 1.00 0.00 H new ATOM 0 HG13 ILE A 57 24.499 6.964 -20.176 1.00 0.00 H new ATOM 0 HG21 ILE A 57 27.633 7.150 -18.091 1.00 0.00 H new ATOM 0 HG22 ILE A 57 27.426 5.477 -17.522 1.00 0.00 H new ATOM 0 HG23 ILE A 57 27.641 5.806 -19.258 1.00 0.00 H new ATOM 0 HD11 ILE A 57 24.936 9.386 -19.865 1.00 0.00 H new ATOM 0 HD12 ILE A 57 24.313 8.667 -18.361 1.00 0.00 H new ATOM 0 HD13 ILE A 57 26.050 9.019 -18.526 1.00 0.00 H new ATOM 1100 N PHE A 58 26.386 3.202 -17.687 1.00 0.00 N ATOM 1101 CA PHE A 58 26.634 2.248 -16.570 1.00 0.00 C ATOM 1102 C PHE A 58 27.976 2.578 -15.902 1.00 0.00 C ATOM 1103 O PHE A 58 28.866 3.151 -16.528 1.00 0.00 O ATOM 1104 CB PHE A 58 26.668 0.820 -17.115 1.00 0.00 C ATOM 1105 CG PHE A 58 25.258 0.352 -17.385 1.00 0.00 C ATOM 1106 CD1 PHE A 58 24.657 0.620 -18.620 1.00 0.00 C ATOM 1107 CD2 PHE A 58 24.551 -0.352 -16.401 1.00 0.00 C ATOM 1108 CE1 PHE A 58 23.350 0.185 -18.872 1.00 0.00 C ATOM 1109 CE2 PHE A 58 23.244 -0.786 -16.653 1.00 0.00 C ATOM 1110 CZ PHE A 58 22.643 -0.518 -17.888 1.00 0.00 C ATOM 0 H PHE A 58 27.085 3.196 -18.430 1.00 0.00 H new ATOM 0 HA PHE A 58 25.834 2.334 -15.835 1.00 0.00 H new ATOM 0 HB2 PHE A 58 27.257 0.783 -18.031 1.00 0.00 H new ATOM 0 HB3 PHE A 58 27.152 0.157 -16.398 1.00 0.00 H new ATOM 0 HD1 PHE A 58 25.201 1.162 -19.379 1.00 0.00 H new ATOM 0 HD2 PHE A 58 25.015 -0.560 -15.448 1.00 0.00 H new ATOM 0 HE1 PHE A 58 22.887 0.392 -19.826 1.00 0.00 H new ATOM 0 HE2 PHE A 58 22.699 -1.328 -15.894 1.00 0.00 H new ATOM 0 HZ PHE A 58 21.635 -0.853 -18.082 1.00 0.00 H new ATOM 1111 N LYS A 59 28.147 2.232 -14.642 1.00 0.00 N ATOM 1112 CA LYS A 59 29.447 2.537 -13.952 1.00 0.00 C ATOM 1113 C LYS A 59 30.614 1.980 -14.785 1.00 0.00 C ATOM 1114 O LYS A 59 31.651 2.625 -14.924 1.00 0.00 O ATOM 1115 CB LYS A 59 29.475 1.897 -12.555 1.00 0.00 C ATOM 1116 CG LYS A 59 29.171 2.956 -11.493 1.00 0.00 C ATOM 1117 CD LYS A 59 29.652 2.461 -10.127 1.00 0.00 C ATOM 1118 CE LYS A 59 30.090 3.656 -9.277 1.00 0.00 C ATOM 1119 NZ LYS A 59 30.945 3.177 -8.154 1.00 0.00 N ATOM 0 H LYS A 59 27.450 1.757 -14.068 1.00 0.00 H new ATOM 0 HA LYS A 59 29.544 3.618 -13.851 1.00 0.00 H new ATOM 0 HB2 LYS A 59 28.742 1.092 -12.499 1.00 0.00 H new ATOM 0 HB3 LYS A 59 30.452 1.452 -12.368 1.00 0.00 H new ATOM 0 HG2 LYS A 59 29.666 3.894 -11.747 1.00 0.00 H new ATOM 0 HG3 LYS A 59 28.100 3.159 -11.462 1.00 0.00 H new ATOM 0 HD2 LYS A 59 28.853 1.916 -9.624 1.00 0.00 H new ATOM 0 HD3 LYS A 59 30.482 1.766 -10.252 1.00 0.00 H new ATOM 0 HE2 LYS A 59 30.641 4.370 -9.889 1.00 0.00 H new ATOM 0 HE3 LYS A 59 29.217 4.178 -8.887 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 31.244 3.988 -7.575 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 30.404 2.512 -7.565 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 31.784 2.697 -8.537 1.00 0.00 H new ATOM 1120 N GLU A 60 30.468 0.798 -15.344 1.00 0.00 N ATOM 1121 CA GLU A 60 31.569 0.222 -16.160 1.00 0.00 C ATOM 1122 C GLU A 60 31.036 -0.148 -17.551 1.00 0.00 C ATOM 1123 O GLU A 60 29.846 -0.008 -17.826 1.00 0.00 O ATOM 1124 CB GLU A 60 32.115 -1.030 -15.470 1.00 0.00 C ATOM 1125 CG GLU A 60 32.738 -0.643 -14.128 1.00 0.00 C ATOM 1126 CD GLU A 60 33.375 -1.876 -13.485 1.00 0.00 C ATOM 1127 OE1 GLU A 60 34.440 -2.269 -13.930 1.00 0.00 O ATOM 1128 OE2 GLU A 60 32.785 -2.406 -12.557 1.00 0.00 O ATOM 0 H GLU A 60 29.634 0.216 -15.266 1.00 0.00 H new ATOM 0 HA GLU A 60 32.368 0.956 -16.262 1.00 0.00 H new ATOM 0 HB2 GLU A 60 31.313 -1.752 -15.316 1.00 0.00 H new ATOM 0 HB3 GLU A 60 32.860 -1.511 -16.103 1.00 0.00 H new ATOM 0 HG2 GLU A 60 33.490 0.133 -14.274 1.00 0.00 H new ATOM 0 HG3 GLU A 60 31.976 -0.228 -13.468 1.00 0.00 H new ATOM 1129 N VAL A 61 31.886 -0.620 -18.437 1.00 0.00 N ATOM 1130 CA VAL A 61 31.406 -0.995 -19.804 1.00 0.00 C ATOM 1131 C VAL A 61 30.741 -2.380 -19.761 1.00 0.00 C ATOM 1132 O VAL A 61 29.751 -2.618 -20.448 1.00 0.00 O ATOM 1133 CB VAL A 61 32.581 -1.027 -20.790 1.00 0.00 C ATOM 1134 CG1 VAL A 61 32.057 -1.299 -22.201 1.00 0.00 C ATOM 1135 CG2 VAL A 61 33.303 0.322 -20.769 1.00 0.00 C ATOM 0 H VAL A 61 32.883 -0.760 -18.272 1.00 0.00 H new ATOM 0 HA VAL A 61 30.681 -0.251 -20.135 1.00 0.00 H new ATOM 0 HB VAL A 61 33.275 -1.816 -20.500 1.00 0.00 H new ATOM 0 HG11 VAL A 61 32.892 -1.322 -22.901 1.00 0.00 H new ATOM 0 HG12 VAL A 61 31.542 -2.260 -22.219 1.00 0.00 H new ATOM 0 HG13 VAL A 61 31.363 -0.510 -22.490 1.00 0.00 H new ATOM 0 HG21 VAL A 61 34.138 0.299 -21.470 1.00 0.00 H new ATOM 0 HG22 VAL A 61 32.609 1.111 -21.058 1.00 0.00 H new ATOM 0 HG23 VAL A 61 33.678 0.518 -19.764 1.00 0.00 H new ATOM 1136 N SER A 62 31.260 -3.302 -18.979 1.00 0.00 N ATOM 1137 CA SER A 62 30.638 -4.668 -18.918 1.00 0.00 C ATOM 1138 C SER A 62 29.175 -4.568 -18.447 1.00 0.00 C ATOM 1139 O SER A 62 28.322 -5.328 -18.900 1.00 0.00 O ATOM 1140 CB SER A 62 31.415 -5.563 -17.945 1.00 0.00 C ATOM 1141 OG SER A 62 31.108 -5.185 -16.610 1.00 0.00 O ATOM 0 H SER A 62 32.079 -3.170 -18.386 1.00 0.00 H new ATOM 0 HA SER A 62 30.670 -5.102 -19.917 1.00 0.00 H new ATOM 0 HB2 SER A 62 31.154 -6.609 -18.108 1.00 0.00 H new ATOM 0 HB3 SER A 62 32.486 -5.470 -18.124 1.00 0.00 H new ATOM 0 HG SER A 62 31.602 -5.757 -15.986 1.00 0.00 H new ATOM 1142 N SER A 63 28.861 -3.661 -17.545 1.00 0.00 N ATOM 1143 CA SER A 63 27.442 -3.552 -17.063 1.00 0.00 C ATOM 1144 C SER A 63 26.501 -3.250 -18.244 1.00 0.00 C ATOM 1145 O SER A 63 25.386 -3.772 -18.308 1.00 0.00 O ATOM 1146 CB SER A 63 27.318 -2.434 -16.021 1.00 0.00 C ATOM 1147 OG SER A 63 27.675 -2.942 -14.741 1.00 0.00 O ATOM 0 H SER A 63 29.516 -3.000 -17.127 1.00 0.00 H new ATOM 0 HA SER A 63 27.161 -4.502 -16.608 1.00 0.00 H new ATOM 0 HB2 SER A 63 27.967 -1.599 -16.287 1.00 0.00 H new ATOM 0 HB3 SER A 63 26.298 -2.051 -16.001 1.00 0.00 H new ATOM 0 HG SER A 63 27.598 -2.229 -14.073 1.00 0.00 H new ATOM 1148 N ALA A 64 26.920 -2.433 -19.188 1.00 0.00 N ATOM 1149 CA ALA A 64 26.032 -2.132 -20.352 1.00 0.00 C ATOM 1150 C ALA A 64 25.991 -3.343 -21.292 1.00 0.00 C ATOM 1151 O ALA A 64 24.997 -3.562 -21.981 1.00 0.00 O ATOM 1152 CB ALA A 64 26.545 -0.904 -21.118 1.00 0.00 C ATOM 0 H ALA A 64 27.828 -1.969 -19.199 1.00 0.00 H new ATOM 0 HA ALA A 64 25.029 -1.919 -19.982 1.00 0.00 H new ATOM 0 HB1 ALA A 64 25.886 -0.700 -21.962 1.00 0.00 H new ATOM 0 HB2 ALA A 64 26.561 -0.041 -20.453 1.00 0.00 H new ATOM 0 HB3 ALA A 64 27.553 -1.098 -21.484 1.00 0.00 H new ATOM 1153 N THR A 65 27.042 -4.140 -21.345 1.00 0.00 N ATOM 1154 CA THR A 65 27.018 -5.324 -22.251 1.00 0.00 C ATOM 1155 C THR A 65 25.888 -6.269 -21.824 1.00 0.00 C ATOM 1156 O THR A 65 25.191 -6.831 -22.665 1.00 0.00 O ATOM 1157 CB THR A 65 28.358 -6.074 -22.202 1.00 0.00 C ATOM 1158 OG1 THR A 65 29.425 -5.136 -22.236 1.00 0.00 O ATOM 1159 CG2 THR A 65 28.462 -7.013 -23.404 1.00 0.00 C ATOM 0 H THR A 65 27.899 -4.018 -20.805 1.00 0.00 H new ATOM 0 HA THR A 65 26.850 -4.979 -23.271 1.00 0.00 H new ATOM 0 HB THR A 65 28.416 -6.657 -21.283 1.00 0.00 H new ATOM 0 HG1 THR A 65 30.281 -5.613 -22.203 1.00 0.00 H new ATOM 0 HG21 THR A 65 29.413 -7.545 -23.369 1.00 0.00 H new ATOM 0 HG22 THR A 65 27.643 -7.732 -23.376 1.00 0.00 H new ATOM 0 HG23 THR A 65 28.405 -6.433 -24.325 1.00 0.00 H new ATOM 1160 N ASN A 66 25.682 -6.458 -20.536 1.00 0.00 N ATOM 1161 CA ASN A 66 24.581 -7.368 -20.088 1.00 0.00 C ATOM 1162 C ASN A 66 23.232 -6.697 -20.382 1.00 0.00 C ATOM 1163 O ASN A 66 22.299 -7.341 -20.856 1.00 0.00 O ATOM 1164 CB ASN A 66 24.693 -7.647 -18.583 1.00 0.00 C ATOM 1165 CG ASN A 66 24.324 -9.110 -18.305 1.00 0.00 C ATOM 1166 OD1 ASN A 66 23.356 -9.383 -17.599 1.00 0.00 O ATOM 1167 ND2 ASN A 66 25.044 -10.075 -18.822 1.00 0.00 N ATOM 0 H ASN A 66 26.223 -6.026 -19.787 1.00 0.00 H new ATOM 0 HA ASN A 66 24.658 -8.314 -20.625 1.00 0.00 H new ATOM 0 HB2 ASN A 66 25.708 -7.445 -18.239 1.00 0.00 H new ATOM 0 HB3 ASN A 66 24.031 -6.982 -18.029 1.00 0.00 H new ATOM 0 HD21 ASN A 66 24.800 -11.048 -18.638 1.00 0.00 H new ATOM 0 HD22 ASN A 66 25.848 -9.853 -19.409 1.00 0.00 H new ATOM 1168 N ALA A 67 23.107 -5.411 -20.118 1.00 0.00 N ATOM 1169 CA ALA A 67 21.803 -4.717 -20.401 1.00 0.00 C ATOM 1170 C ALA A 67 21.374 -4.964 -21.863 1.00 0.00 C ATOM 1171 O ALA A 67 20.182 -5.034 -22.159 1.00 0.00 O ATOM 1172 CB ALA A 67 21.945 -3.207 -20.170 1.00 0.00 C ATOM 0 H ALA A 67 23.840 -4.821 -19.725 1.00 0.00 H new ATOM 0 HA ALA A 67 21.047 -5.119 -19.726 1.00 0.00 H new ATOM 0 HB1 ALA A 67 20.994 -2.716 -20.378 1.00 0.00 H new ATOM 0 HB2 ALA A 67 22.229 -3.023 -19.134 1.00 0.00 H new ATOM 0 HB3 ALA A 67 22.712 -2.808 -20.833 1.00 0.00 H new ATOM 1173 N LEU A 68 22.307 -5.098 -22.786 1.00 0.00 N ATOM 1174 CA LEU A 68 21.918 -5.337 -24.212 1.00 0.00 C ATOM 1175 C LEU A 68 21.552 -6.817 -24.411 1.00 0.00 C ATOM 1176 O LEU A 68 20.627 -7.139 -25.155 1.00 0.00 O ATOM 1177 CB LEU A 68 23.084 -4.975 -25.140 1.00 0.00 C ATOM 1178 CG LEU A 68 22.544 -4.389 -26.455 1.00 0.00 C ATOM 1179 CD1 LEU A 68 22.797 -2.880 -26.490 1.00 0.00 C ATOM 1180 CD2 LEU A 68 23.253 -5.044 -27.645 1.00 0.00 C ATOM 0 H LEU A 68 23.311 -5.052 -22.611 1.00 0.00 H new ATOM 0 HA LEU A 68 21.057 -4.713 -24.452 1.00 0.00 H new ATOM 0 HB2 LEU A 68 23.738 -4.253 -24.652 1.00 0.00 H new ATOM 0 HB3 LEU A 68 23.685 -5.861 -25.346 1.00 0.00 H new ATOM 0 HG LEU A 68 21.473 -4.583 -26.516 1.00 0.00 H new ATOM 0 HD11 LEU A 68 22.413 -2.468 -27.423 1.00 0.00 H new ATOM 0 HD12 LEU A 68 22.290 -2.407 -25.649 1.00 0.00 H new ATOM 0 HD13 LEU A 68 23.868 -2.689 -26.423 1.00 0.00 H new ATOM 0 HD21 LEU A 68 22.867 -4.625 -28.574 1.00 0.00 H new ATOM 0 HD22 LEU A 68 24.324 -4.855 -27.579 1.00 0.00 H new ATOM 0 HD23 LEU A 68 23.073 -6.119 -27.629 1.00 0.00 H new ATOM 1181 N ARG A 69 22.252 -7.731 -23.767 1.00 0.00 N ATOM 1182 CA ARG A 69 21.923 -9.177 -23.936 1.00 0.00 C ATOM 1183 C ARG A 69 20.977 -9.620 -22.810 1.00 0.00 C ATOM 1184 O ARG A 69 21.267 -10.561 -22.072 1.00 0.00 O ATOM 1185 CB ARG A 69 23.208 -10.009 -23.887 1.00 0.00 C ATOM 1186 CG ARG A 69 24.203 -9.461 -24.911 1.00 0.00 C ATOM 1187 CD ARG A 69 25.591 -10.046 -24.639 1.00 0.00 C ATOM 1188 NE ARG A 69 25.538 -11.529 -24.763 1.00 0.00 N ATOM 1189 CZ ARG A 69 25.617 -12.090 -25.940 1.00 0.00 C ATOM 1190 NH1 ARG A 69 26.626 -11.819 -26.724 1.00 0.00 N ATOM 1191 NH2 ARG A 69 24.690 -12.919 -26.331 1.00 0.00 N ATOM 0 H ARG A 69 23.030 -7.533 -23.138 1.00 0.00 H new ATOM 0 HA ARG A 69 21.436 -9.327 -24.900 1.00 0.00 H new ATOM 0 HB2 ARG A 69 23.640 -9.973 -22.887 1.00 0.00 H new ATOM 0 HB3 ARG A 69 22.987 -11.055 -24.101 1.00 0.00 H new ATOM 0 HG2 ARG A 69 23.880 -9.717 -25.920 1.00 0.00 H new ATOM 0 HG3 ARG A 69 24.238 -8.373 -24.854 1.00 0.00 H new ATOM 0 HD2 ARG A 69 26.314 -9.637 -25.345 1.00 0.00 H new ATOM 0 HD3 ARG A 69 25.926 -9.766 -23.640 1.00 0.00 H new ATOM 0 HE ARG A 69 25.440 -12.107 -23.928 1.00 0.00 H new ATOM 0 HH11 ARG A 69 27.351 -11.170 -26.417 1.00 0.00 H new ATOM 0 HH12 ARG A 69 26.689 -12.256 -27.643 1.00 0.00 H new ATOM 0 HH21 ARG A 69 23.903 -13.130 -25.718 1.00 0.00 H new ATOM 0 HH22 ARG A 69 24.752 -13.357 -27.250 1.00 0.00 H new ATOM 1192 N SER A 70 19.849 -8.962 -22.661 1.00 0.00 N ATOM 1193 CA SER A 70 18.893 -9.351 -21.581 1.00 0.00 C ATOM 1194 C SER A 70 17.467 -8.936 -21.979 1.00 0.00 C ATOM 1195 O SER A 70 16.569 -9.771 -22.069 1.00 0.00 O ATOM 1196 CB SER A 70 19.282 -8.652 -20.278 1.00 0.00 C ATOM 1197 OG SER A 70 20.347 -9.366 -19.663 1.00 0.00 O ATOM 0 H SER A 70 19.553 -8.176 -23.240 1.00 0.00 H new ATOM 0 HA SER A 70 18.929 -10.431 -21.439 1.00 0.00 H new ATOM 0 HB2 SER A 70 19.586 -7.625 -20.479 1.00 0.00 H new ATOM 0 HB3 SER A 70 18.425 -8.605 -19.607 1.00 0.00 H new ATOM 0 HG SER A 70 20.760 -9.966 -20.319 1.00 0.00 H new ATOM 1198 N MET A 71 17.239 -7.663 -22.228 1.00 0.00 N ATOM 1199 CA MET A 71 15.876 -7.215 -22.627 1.00 0.00 C ATOM 1200 C MET A 71 15.866 -6.879 -24.128 1.00 0.00 C ATOM 1201 O MET A 71 15.209 -5.929 -24.553 1.00 0.00 O ATOM 1202 CB MET A 71 15.497 -5.969 -21.822 1.00 0.00 C ATOM 1203 CG MET A 71 15.585 -6.282 -20.328 1.00 0.00 C ATOM 1204 SD MET A 71 15.351 -4.757 -19.380 1.00 0.00 S ATOM 1205 CE MET A 71 13.660 -4.409 -19.923 1.00 0.00 C ATOM 0 H MET A 71 17.940 -6.924 -22.170 1.00 0.00 H new ATOM 0 HA MET A 71 15.157 -8.010 -22.429 1.00 0.00 H new ATOM 0 HB2 MET A 71 16.165 -5.144 -22.072 1.00 0.00 H new ATOM 0 HB3 MET A 71 14.487 -5.650 -22.079 1.00 0.00 H new ATOM 0 HG2 MET A 71 14.826 -7.014 -20.053 1.00 0.00 H new ATOM 0 HG3 MET A 71 16.554 -6.724 -20.094 1.00 0.00 H new ATOM 0 HE1 MET A 71 13.637 -3.459 -20.456 1.00 0.00 H new ATOM 0 HE2 MET A 71 13.319 -5.205 -20.585 1.00 0.00 H new ATOM 0 HE3 MET A 71 13.003 -4.354 -19.055 1.00 0.00 H new ATOM 1206 N GLN A 72 16.576 -7.633 -24.946 1.00 0.00 N ATOM 1207 CA GLN A 72 16.582 -7.329 -26.414 1.00 0.00 C ATOM 1208 C GLN A 72 15.148 -7.418 -26.953 1.00 0.00 C ATOM 1209 O GLN A 72 14.646 -8.506 -27.227 1.00 0.00 O ATOM 1210 CB GLN A 72 17.470 -8.330 -27.168 1.00 0.00 C ATOM 1211 CG GLN A 72 17.654 -7.864 -28.613 1.00 0.00 C ATOM 1212 CD GLN A 72 19.083 -8.180 -29.074 1.00 0.00 C ATOM 1213 OE1 GLN A 72 19.291 -9.081 -29.883 1.00 0.00 O ATOM 1214 NE2 GLN A 72 20.090 -7.483 -28.603 1.00 0.00 N ATOM 0 H GLN A 72 17.142 -8.433 -24.662 1.00 0.00 H new ATOM 0 HA GLN A 72 16.978 -6.325 -26.565 1.00 0.00 H new ATOM 0 HB2 GLN A 72 18.439 -8.415 -26.676 1.00 0.00 H new ATOM 0 HB3 GLN A 72 17.016 -9.321 -27.150 1.00 0.00 H new ATOM 0 HG2 GLN A 72 16.933 -8.361 -29.261 1.00 0.00 H new ATOM 0 HG3 GLN A 72 17.465 -6.793 -28.688 1.00 0.00 H new ATOM 0 HE21 GLN A 72 19.922 -6.734 -27.931 1.00 0.00 H new ATOM 0 HE22 GLN A 72 21.041 -7.690 -28.909 1.00 0.00 H new ATOM 1215 N GLY A 73 14.473 -6.299 -27.106 1.00 0.00 N ATOM 1216 CA GLY A 73 13.074 -6.341 -27.619 1.00 0.00 C ATOM 1217 C GLY A 73 12.124 -6.639 -26.451 1.00 0.00 C ATOM 1218 O GLY A 73 11.452 -7.669 -26.435 1.00 0.00 O ATOM 0 H GLY A 73 14.833 -5.368 -26.898 1.00 0.00 H new ATOM 0 HA2 GLY A 73 12.814 -5.389 -28.083 1.00 0.00 H new ATOM 0 HA3 GLY A 73 12.978 -7.107 -28.388 1.00 0.00 H new ATOM 1219 N PHE A 74 12.060 -5.768 -25.467 1.00 0.00 N ATOM 1220 CA PHE A 74 11.157 -6.027 -24.306 1.00 0.00 C ATOM 1221 C PHE A 74 10.007 -5.003 -24.298 1.00 0.00 C ATOM 1222 O PHE A 74 10.093 -3.978 -24.969 1.00 0.00 O ATOM 1223 CB PHE A 74 11.957 -5.911 -23.005 1.00 0.00 C ATOM 1224 CG PHE A 74 12.265 -7.290 -22.470 1.00 0.00 C ATOM 1225 CD1 PHE A 74 12.858 -8.249 -23.301 1.00 0.00 C ATOM 1226 CD2 PHE A 74 11.958 -7.610 -21.143 1.00 0.00 C ATOM 1227 CE1 PHE A 74 13.143 -9.527 -22.805 1.00 0.00 C ATOM 1228 CE2 PHE A 74 12.242 -8.888 -20.645 1.00 0.00 C ATOM 1229 CZ PHE A 74 12.835 -9.846 -21.477 1.00 0.00 C ATOM 0 H PHE A 74 12.591 -4.898 -25.421 1.00 0.00 H new ATOM 0 HA PHE A 74 10.740 -7.030 -24.391 1.00 0.00 H new ATOM 0 HB2 PHE A 74 12.883 -5.365 -23.184 1.00 0.00 H new ATOM 0 HB3 PHE A 74 11.390 -5.343 -22.268 1.00 0.00 H new ATOM 0 HD1 PHE A 74 13.096 -8.002 -24.325 1.00 0.00 H new ATOM 0 HD2 PHE A 74 11.501 -6.871 -20.502 1.00 0.00 H new ATOM 0 HE1 PHE A 74 13.600 -10.266 -23.446 1.00 0.00 H new ATOM 0 HE2 PHE A 74 12.004 -9.134 -19.621 1.00 0.00 H new ATOM 0 HZ PHE A 74 13.055 -10.832 -21.094 1.00 0.00 H new ATOM 1230 N PRO A 75 8.954 -5.293 -23.549 1.00 0.00 N ATOM 1231 CA PRO A 75 7.790 -4.394 -23.460 1.00 0.00 C ATOM 1232 C PRO A 75 8.080 -3.219 -22.512 1.00 0.00 C ATOM 1233 O PRO A 75 8.432 -3.417 -21.349 1.00 0.00 O ATOM 1234 CB PRO A 75 6.684 -5.287 -22.890 1.00 0.00 C ATOM 1235 CG PRO A 75 7.392 -6.451 -22.159 1.00 0.00 C ATOM 1236 CD PRO A 75 8.820 -6.526 -22.729 1.00 0.00 C ATOM 0 HA PRO A 75 7.525 -3.951 -24.420 1.00 0.00 H new ATOM 0 HB2 PRO A 75 6.049 -4.727 -22.204 1.00 0.00 H new ATOM 0 HB3 PRO A 75 6.040 -5.663 -23.685 1.00 0.00 H new ATOM 0 HG2 PRO A 75 7.413 -6.277 -21.083 1.00 0.00 H new ATOM 0 HG3 PRO A 75 6.861 -7.389 -22.320 1.00 0.00 H new ATOM 0 HD2 PRO A 75 9.565 -6.557 -21.934 1.00 0.00 H new ATOM 0 HD3 PRO A 75 8.961 -7.422 -23.333 1.00 0.00 H new ATOM 1237 N PHE A 76 7.933 -1.996 -22.977 1.00 0.00 N ATOM 1238 CA PHE A 76 8.192 -0.823 -22.099 1.00 0.00 C ATOM 1239 C PHE A 76 7.099 0.221 -22.337 1.00 0.00 C ATOM 1240 O PHE A 76 7.058 0.830 -23.396 1.00 0.00 O ATOM 1241 CB PHE A 76 9.563 -0.227 -22.434 1.00 0.00 C ATOM 1242 CG PHE A 76 10.317 0.076 -21.160 1.00 0.00 C ATOM 1243 CD1 PHE A 76 10.490 -0.924 -20.195 1.00 0.00 C ATOM 1244 CD2 PHE A 76 10.842 1.355 -20.945 1.00 0.00 C ATOM 1245 CE1 PHE A 76 11.189 -0.644 -19.016 1.00 0.00 C ATOM 1246 CE2 PHE A 76 11.542 1.635 -19.765 1.00 0.00 C ATOM 1247 CZ PHE A 76 11.715 0.635 -18.801 1.00 0.00 C ATOM 0 H PHE A 76 7.644 -1.768 -23.928 1.00 0.00 H new ATOM 0 HA PHE A 76 8.185 -1.130 -21.053 1.00 0.00 H new ATOM 0 HB2 PHE A 76 10.133 -0.925 -23.047 1.00 0.00 H new ATOM 0 HB3 PHE A 76 9.440 0.684 -23.020 1.00 0.00 H new ATOM 0 HD1 PHE A 76 10.084 -1.911 -20.361 1.00 0.00 H new ATOM 0 HD2 PHE A 76 10.707 2.126 -21.689 1.00 0.00 H new ATOM 0 HE1 PHE A 76 11.323 -1.415 -18.272 1.00 0.00 H new ATOM 0 HE2 PHE A 76 11.948 2.622 -19.599 1.00 0.00 H new ATOM 0 HZ PHE A 76 12.255 0.851 -17.891 1.00 0.00 H new ATOM 1248 N TYR A 77 6.216 0.423 -21.372 1.00 0.00 N ATOM 1249 CA TYR A 77 5.101 1.417 -21.515 1.00 0.00 C ATOM 1250 C TYR A 77 4.032 0.889 -22.491 1.00 0.00 C ATOM 1251 O TYR A 77 3.023 0.334 -22.057 1.00 0.00 O ATOM 1252 CB TYR A 77 5.634 2.788 -21.959 1.00 0.00 C ATOM 1253 CG TYR A 77 6.355 3.426 -20.800 1.00 0.00 C ATOM 1254 CD1 TYR A 77 7.686 3.091 -20.529 1.00 0.00 C ATOM 1255 CD2 TYR A 77 5.685 4.345 -19.986 1.00 0.00 C ATOM 1256 CE1 TYR A 77 8.348 3.676 -19.446 1.00 0.00 C ATOM 1257 CE2 TYR A 77 6.347 4.934 -18.903 1.00 0.00 C ATOM 1258 CZ TYR A 77 7.679 4.599 -18.633 1.00 0.00 C ATOM 1259 OH TYR A 77 8.331 5.174 -17.563 1.00 0.00 O ATOM 0 H TYR A 77 6.227 -0.070 -20.479 1.00 0.00 H new ATOM 0 HA TYR A 77 4.634 1.550 -20.539 1.00 0.00 H new ATOM 0 HB2 TYR A 77 6.309 2.674 -22.807 1.00 0.00 H new ATOM 0 HB3 TYR A 77 4.812 3.424 -22.289 1.00 0.00 H new ATOM 0 HD1 TYR A 77 8.202 2.380 -21.157 1.00 0.00 H new ATOM 0 HD2 TYR A 77 4.656 4.600 -20.193 1.00 0.00 H new ATOM 0 HE1 TYR A 77 9.375 3.416 -19.236 1.00 0.00 H new ATOM 0 HE2 TYR A 77 5.831 5.646 -18.276 1.00 0.00 H new ATOM 0 HH TYR A 77 7.672 5.495 -16.913 1.00 0.00 H new ATOM 1260 N ASP A 78 4.207 1.042 -23.786 1.00 0.00 N ATOM 1261 CA ASP A 78 3.171 0.535 -24.736 1.00 0.00 C ATOM 1262 C ASP A 78 3.802 0.240 -26.109 1.00 0.00 C ATOM 1263 O ASP A 78 3.268 0.639 -27.143 1.00 0.00 O ATOM 1264 CB ASP A 78 2.071 1.587 -24.895 1.00 0.00 C ATOM 1265 CG ASP A 78 0.756 0.899 -25.264 1.00 0.00 C ATOM 1266 OD1 ASP A 78 0.556 0.637 -26.439 1.00 0.00 O ATOM 1267 OD2 ASP A 78 -0.030 0.647 -24.366 1.00 0.00 O ATOM 0 H ASP A 78 5.014 1.491 -24.218 1.00 0.00 H new ATOM 0 HA ASP A 78 2.747 -0.387 -24.339 1.00 0.00 H new ATOM 0 HB2 ASP A 78 1.953 2.148 -23.968 1.00 0.00 H new ATOM 0 HB3 ASP A 78 2.348 2.304 -25.668 1.00 0.00 H new ATOM 1268 N LYS A 79 4.921 -0.455 -26.148 1.00 0.00 N ATOM 1269 CA LYS A 79 5.557 -0.764 -27.471 1.00 0.00 C ATOM 1270 C LYS A 79 6.850 -1.579 -27.263 1.00 0.00 C ATOM 1271 O LYS A 79 7.479 -1.469 -26.214 1.00 0.00 O ATOM 1272 CB LYS A 79 5.894 0.548 -28.197 1.00 0.00 C ATOM 1273 CG LYS A 79 4.885 0.800 -29.328 1.00 0.00 C ATOM 1274 CD LYS A 79 5.626 1.198 -30.608 1.00 0.00 C ATOM 1275 CE LYS A 79 6.252 2.582 -30.430 1.00 0.00 C ATOM 1276 NZ LYS A 79 6.402 3.233 -31.762 1.00 0.00 N ATOM 0 H LYS A 79 5.414 -0.816 -25.331 1.00 0.00 H new ATOM 0 HA LYS A 79 4.859 -1.349 -28.070 1.00 0.00 H new ATOM 0 HB2 LYS A 79 5.876 1.378 -27.491 1.00 0.00 H new ATOM 0 HB3 LYS A 79 6.904 0.498 -28.604 1.00 0.00 H new ATOM 0 HG2 LYS A 79 4.292 -0.097 -29.505 1.00 0.00 H new ATOM 0 HG3 LYS A 79 4.191 1.589 -29.039 1.00 0.00 H new ATOM 0 HD2 LYS A 79 6.400 0.465 -30.835 1.00 0.00 H new ATOM 0 HD3 LYS A 79 4.936 1.206 -31.452 1.00 0.00 H new ATOM 0 HE2 LYS A 79 5.626 3.195 -29.782 1.00 0.00 H new ATOM 0 HE3 LYS A 79 7.224 2.494 -29.945 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 6.430 4.266 -31.642 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 7.285 2.912 -32.208 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 5.596 2.977 -32.367 1.00 0.00 H new ATOM 1277 N PRO A 80 7.230 -2.371 -28.252 1.00 0.00 N ATOM 1278 CA PRO A 80 8.453 -3.191 -28.163 1.00 0.00 C ATOM 1279 C PRO A 80 9.691 -2.313 -28.391 1.00 0.00 C ATOM 1280 O PRO A 80 9.645 -1.349 -29.153 1.00 0.00 O ATOM 1281 CB PRO A 80 8.289 -4.215 -29.289 1.00 0.00 C ATOM 1282 CG PRO A 80 7.295 -3.597 -30.301 1.00 0.00 C ATOM 1283 CD PRO A 80 6.499 -2.525 -29.536 1.00 0.00 C ATOM 0 HA PRO A 80 8.586 -3.664 -27.190 1.00 0.00 H new ATOM 0 HB2 PRO A 80 9.247 -4.426 -29.765 1.00 0.00 H new ATOM 0 HB3 PRO A 80 7.911 -5.161 -28.901 1.00 0.00 H new ATOM 0 HG2 PRO A 80 7.825 -3.157 -31.146 1.00 0.00 H new ATOM 0 HG3 PRO A 80 6.629 -4.359 -30.705 1.00 0.00 H new ATOM 0 HD2 PRO A 80 6.464 -1.586 -30.089 1.00 0.00 H new ATOM 0 HD3 PRO A 80 5.468 -2.837 -29.372 1.00 0.00 H new ATOM 1284 N MET A 81 10.799 -2.613 -27.746 1.00 0.00 N ATOM 1285 CA MET A 81 12.017 -1.773 -27.940 1.00 0.00 C ATOM 1286 C MET A 81 13.268 -2.661 -28.025 1.00 0.00 C ATOM 1287 O MET A 81 13.519 -3.489 -27.148 1.00 0.00 O ATOM 1288 CB MET A 81 12.164 -0.789 -26.772 1.00 0.00 C ATOM 1289 CG MET A 81 11.997 -1.521 -25.440 1.00 0.00 C ATOM 1290 SD MET A 81 12.536 -0.443 -24.090 1.00 0.00 S ATOM 1291 CE MET A 81 13.541 -1.667 -23.218 1.00 0.00 C ATOM 0 H MET A 81 10.907 -3.396 -27.101 1.00 0.00 H new ATOM 0 HA MET A 81 11.913 -1.216 -28.871 1.00 0.00 H new ATOM 0 HB2 MET A 81 13.142 -0.310 -26.812 1.00 0.00 H new ATOM 0 HB3 MET A 81 11.418 0.001 -26.857 1.00 0.00 H new ATOM 0 HG2 MET A 81 10.955 -1.807 -25.298 1.00 0.00 H new ATOM 0 HG3 MET A 81 12.582 -2.440 -25.442 1.00 0.00 H new ATOM 0 HE1 MET A 81 13.981 -1.211 -22.331 1.00 0.00 H new ATOM 0 HE2 MET A 81 12.914 -2.507 -22.921 1.00 0.00 H new ATOM 0 HE3 MET A 81 14.335 -2.021 -23.876 1.00 0.00 H new ATOM 1292 N ARG A 82 14.066 -2.494 -29.060 1.00 0.00 N ATOM 1293 CA ARG A 82 15.307 -3.314 -29.192 1.00 0.00 C ATOM 1294 C ARG A 82 16.478 -2.518 -28.610 1.00 0.00 C ATOM 1295 O ARG A 82 16.440 -1.288 -28.569 1.00 0.00 O ATOM 1296 CB ARG A 82 15.577 -3.616 -30.669 1.00 0.00 C ATOM 1297 CG ARG A 82 14.749 -4.827 -31.104 1.00 0.00 C ATOM 1298 CD ARG A 82 15.386 -5.464 -32.341 1.00 0.00 C ATOM 1299 NE ARG A 82 16.482 -6.381 -31.919 1.00 0.00 N ATOM 1300 CZ ARG A 82 17.619 -6.376 -32.560 1.00 0.00 C ATOM 1301 NH1 ARG A 82 18.306 -5.272 -32.663 1.00 0.00 N ATOM 1302 NH2 ARG A 82 18.069 -7.477 -33.098 1.00 0.00 N ATOM 0 H ARG A 82 13.907 -1.826 -29.814 1.00 0.00 H new ATOM 0 HA ARG A 82 15.188 -4.256 -28.656 1.00 0.00 H new ATOM 0 HB2 ARG A 82 15.323 -2.750 -31.280 1.00 0.00 H new ATOM 0 HB3 ARG A 82 16.638 -3.814 -30.822 1.00 0.00 H new ATOM 0 HG2 ARG A 82 14.696 -5.554 -30.294 1.00 0.00 H new ATOM 0 HG3 ARG A 82 13.726 -4.521 -31.325 1.00 0.00 H new ATOM 0 HD2 ARG A 82 14.635 -6.014 -32.907 1.00 0.00 H new ATOM 0 HD3 ARG A 82 15.779 -4.690 -33.000 1.00 0.00 H new ATOM 0 HE ARG A 82 16.344 -7.012 -31.130 1.00 0.00 H new ATOM 0 HH11 ARG A 82 17.955 -4.412 -32.242 1.00 0.00 H new ATOM 0 HH12 ARG A 82 19.194 -5.269 -33.164 1.00 0.00 H new ATOM 0 HH21 ARG A 82 17.532 -8.341 -33.017 1.00 0.00 H new ATOM 0 HH22 ARG A 82 18.957 -7.474 -33.599 1.00 0.00 H new ATOM 1303 N ILE A 83 17.512 -3.180 -28.144 1.00 0.00 N ATOM 1304 CA ILE A 83 18.657 -2.429 -27.556 1.00 0.00 C ATOM 1305 C ILE A 83 19.900 -2.537 -28.453 1.00 0.00 C ATOM 1306 O ILE A 83 20.251 -3.613 -28.932 1.00 0.00 O ATOM 1307 CB ILE A 83 18.981 -2.986 -26.171 1.00 0.00 C ATOM 1308 CG1 ILE A 83 17.713 -2.978 -25.314 1.00 0.00 C ATOM 1309 CG2 ILE A 83 20.050 -2.112 -25.509 1.00 0.00 C ATOM 1310 CD1 ILE A 83 18.000 -3.648 -23.970 1.00 0.00 C ATOM 0 H ILE A 83 17.608 -4.195 -28.147 1.00 0.00 H new ATOM 0 HA ILE A 83 18.375 -1.379 -27.476 1.00 0.00 H new ATOM 0 HB ILE A 83 19.353 -4.006 -26.264 1.00 0.00 H new ATOM 0 HG12 ILE A 83 17.374 -1.954 -25.157 1.00 0.00 H new ATOM 0 HG13 ILE A 83 16.910 -3.504 -25.830 1.00 0.00 H new ATOM 0 HG21 ILE A 83 20.283 -2.508 -24.520 1.00 0.00 H new ATOM 0 HG22 ILE A 83 20.952 -2.113 -26.122 1.00 0.00 H new ATOM 0 HG23 ILE A 83 19.678 -1.092 -25.413 1.00 0.00 H new ATOM 0 HD11 ILE A 83 17.097 -3.642 -23.360 1.00 0.00 H new ATOM 0 HD12 ILE A 83 18.318 -4.677 -24.137 1.00 0.00 H new ATOM 0 HD13 ILE A 83 18.790 -3.103 -23.453 1.00 0.00 H new ATOM 1311 N GLN A 84 20.584 -1.436 -28.674 1.00 0.00 N ATOM 1312 CA GLN A 84 21.814 -1.460 -29.520 1.00 0.00 C ATOM 1313 C GLN A 84 22.813 -0.443 -28.946 1.00 0.00 C ATOM 1314 O GLN A 84 22.425 0.659 -28.573 1.00 0.00 O ATOM 1315 CB GLN A 84 21.459 -1.076 -30.958 1.00 0.00 C ATOM 1316 CG GLN A 84 20.723 0.265 -30.960 1.00 0.00 C ATOM 1317 CD GLN A 84 20.341 0.642 -32.396 1.00 0.00 C ATOM 1318 OE1 GLN A 84 20.886 0.089 -33.350 1.00 0.00 O ATOM 1319 NE2 GLN A 84 19.428 1.559 -32.612 1.00 0.00 N ATOM 0 H GLN A 84 20.338 -0.519 -28.301 1.00 0.00 H new ATOM 0 HA GLN A 84 22.250 -2.459 -29.520 1.00 0.00 H new ATOM 0 HB2 GLN A 84 22.364 -1.007 -31.562 1.00 0.00 H new ATOM 0 HB3 GLN A 84 20.834 -1.847 -31.408 1.00 0.00 H new ATOM 0 HG2 GLN A 84 19.829 0.201 -30.340 1.00 0.00 H new ATOM 0 HG3 GLN A 84 21.356 1.039 -30.527 1.00 0.00 H new ATOM 0 HE21 GLN A 84 18.973 2.021 -31.825 1.00 0.00 H new ATOM 0 HE22 GLN A 84 19.173 1.810 -33.567 1.00 0.00 H new ATOM 1320 N TYR A 85 24.082 -0.786 -28.843 1.00 0.00 N ATOM 1321 CA TYR A 85 25.079 0.181 -28.257 1.00 0.00 C ATOM 1322 C TYR A 85 24.908 1.586 -28.868 1.00 0.00 C ATOM 1323 O TYR A 85 24.202 1.763 -29.859 1.00 0.00 O ATOM 1324 CB TYR A 85 26.512 -0.302 -28.519 1.00 0.00 C ATOM 1325 CG TYR A 85 26.855 -1.448 -27.591 1.00 0.00 C ATOM 1326 CD1 TYR A 85 26.570 -1.369 -26.217 1.00 0.00 C ATOM 1327 CD2 TYR A 85 27.471 -2.594 -28.108 1.00 0.00 C ATOM 1328 CE1 TYR A 85 26.901 -2.433 -25.372 1.00 0.00 C ATOM 1329 CE2 TYR A 85 27.802 -3.657 -27.261 1.00 0.00 C ATOM 1330 CZ TYR A 85 27.517 -3.577 -25.894 1.00 0.00 C ATOM 1331 OH TYR A 85 27.847 -4.625 -25.063 1.00 0.00 O ATOM 0 H TYR A 85 24.468 -1.684 -29.136 1.00 0.00 H new ATOM 0 HA TYR A 85 24.898 0.231 -27.183 1.00 0.00 H new ATOM 0 HB2 TYR A 85 26.612 -0.622 -29.556 1.00 0.00 H new ATOM 0 HB3 TYR A 85 27.213 0.519 -28.370 1.00 0.00 H new ATOM 0 HD1 TYR A 85 26.095 -0.487 -25.814 1.00 0.00 H new ATOM 0 HD2 TYR A 85 27.691 -2.658 -29.163 1.00 0.00 H new ATOM 0 HE1 TYR A 85 26.681 -2.372 -24.316 1.00 0.00 H new ATOM 0 HE2 TYR A 85 28.278 -4.540 -27.663 1.00 0.00 H new ATOM 0 HH TYR A 85 28.683 -4.420 -24.595 1.00 0.00 H new ATOM 1332 N ALA A 86 25.534 2.590 -28.289 1.00 0.00 N ATOM 1333 CA ALA A 86 25.396 3.974 -28.835 1.00 0.00 C ATOM 1334 C ALA A 86 26.475 4.212 -29.903 1.00 0.00 C ATOM 1335 O ALA A 86 27.161 3.280 -30.319 1.00 0.00 O ATOM 1336 CB ALA A 86 25.559 4.997 -27.704 1.00 0.00 C ATOM 0 H ALA A 86 26.131 2.506 -27.466 1.00 0.00 H new ATOM 0 HA ALA A 86 24.409 4.088 -29.282 1.00 0.00 H new ATOM 0 HB1 ALA A 86 25.458 6.005 -28.107 1.00 0.00 H new ATOM 0 HB2 ALA A 86 24.791 4.830 -26.949 1.00 0.00 H new ATOM 0 HB3 ALA A 86 26.544 4.885 -27.251 1.00 0.00 H new ATOM 1337 N LYS A 87 26.650 5.437 -30.355 1.00 0.00 N ATOM 1338 CA LYS A 87 27.694 5.703 -31.387 1.00 0.00 C ATOM 1339 C LYS A 87 29.012 6.062 -30.686 1.00 0.00 C ATOM 1340 O LYS A 87 30.073 5.547 -31.036 1.00 0.00 O ATOM 1341 CB LYS A 87 27.271 6.871 -32.293 1.00 0.00 C ATOM 1342 CG LYS A 87 25.809 6.712 -32.737 1.00 0.00 C ATOM 1343 CD LYS A 87 25.631 5.401 -33.513 1.00 0.00 C ATOM 1344 CE LYS A 87 24.721 5.635 -34.720 1.00 0.00 C ATOM 1345 NZ LYS A 87 25.513 6.234 -35.830 1.00 0.00 N ATOM 0 H LYS A 87 26.117 6.253 -30.053 1.00 0.00 H new ATOM 0 HA LYS A 87 27.822 4.810 -31.999 1.00 0.00 H new ATOM 0 HB2 LYS A 87 27.394 7.814 -31.760 1.00 0.00 H new ATOM 0 HB3 LYS A 87 27.920 6.912 -33.168 1.00 0.00 H new ATOM 0 HG2 LYS A 87 25.154 6.719 -31.866 1.00 0.00 H new ATOM 0 HG3 LYS A 87 25.517 7.556 -33.362 1.00 0.00 H new ATOM 0 HD2 LYS A 87 26.601 5.028 -33.843 1.00 0.00 H new ATOM 0 HD3 LYS A 87 25.201 4.638 -32.864 1.00 0.00 H new ATOM 0 HE2 LYS A 87 24.277 4.693 -35.043 1.00 0.00 H new ATOM 0 HE3 LYS A 87 23.899 6.297 -34.447 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 24.895 6.393 -36.651 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 25.916 7.141 -35.519 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 26.282 5.587 -36.096 1.00 0.00 H new ATOM 1346 N THR A 88 28.972 6.938 -29.704 1.00 0.00 N ATOM 1347 CA THR A 88 30.222 7.321 -28.994 1.00 0.00 C ATOM 1348 C THR A 88 30.050 7.089 -27.486 1.00 0.00 C ATOM 1349 O THR A 88 28.998 6.639 -27.034 1.00 0.00 O ATOM 1350 CB THR A 88 30.516 8.799 -29.254 1.00 0.00 C ATOM 1351 OG1 THR A 88 29.343 9.564 -29.014 1.00 0.00 O ATOM 1352 CG2 THR A 88 30.954 8.975 -30.705 1.00 0.00 C ATOM 0 H THR A 88 28.125 7.399 -29.370 1.00 0.00 H new ATOM 0 HA THR A 88 31.050 6.713 -29.359 1.00 0.00 H new ATOM 0 HB THR A 88 31.310 9.139 -28.589 1.00 0.00 H new ATOM 0 HG1 THR A 88 29.531 10.512 -29.179 1.00 0.00 H new ATOM 0 HG21 THR A 88 31.165 10.027 -30.896 1.00 0.00 H new ATOM 0 HG22 THR A 88 31.852 8.386 -30.888 1.00 0.00 H new ATOM 0 HG23 THR A 88 30.158 8.638 -31.369 1.00 0.00 H new ATOM 1353 N ASP A 89 31.057 7.386 -26.692 1.00 0.00 N ATOM 1354 CA ASP A 89 30.925 7.177 -25.215 1.00 0.00 C ATOM 1355 C ASP A 89 30.088 8.314 -24.613 1.00 0.00 C ATOM 1356 O ASP A 89 29.579 9.170 -25.335 1.00 0.00 O ATOM 1357 CB ASP A 89 32.309 7.160 -24.554 1.00 0.00 C ATOM 1358 CG ASP A 89 33.204 6.146 -25.270 1.00 0.00 C ATOM 1359 OD1 ASP A 89 33.816 6.518 -26.258 1.00 0.00 O ATOM 1360 OD2 ASP A 89 33.260 5.013 -24.819 1.00 0.00 O ATOM 0 H ASP A 89 31.954 7.760 -27.001 1.00 0.00 H new ATOM 0 HA ASP A 89 30.435 6.220 -25.035 1.00 0.00 H new ATOM 0 HB2 ASP A 89 32.757 8.152 -24.599 1.00 0.00 H new ATOM 0 HB3 ASP A 89 32.217 6.899 -23.500 1.00 0.00 H new ATOM 1361 N SER A 90 29.928 8.348 -23.307 1.00 0.00 N ATOM 1362 CA SER A 90 29.120 9.437 -22.684 1.00 0.00 C ATOM 1363 C SER A 90 30.054 10.523 -22.133 1.00 0.00 C ATOM 1364 O SER A 90 31.205 10.251 -21.792 1.00 0.00 O ATOM 1365 CB SER A 90 28.276 8.864 -21.545 1.00 0.00 C ATOM 1366 OG SER A 90 27.741 9.933 -20.776 1.00 0.00 O ATOM 0 H SER A 90 30.322 7.671 -22.654 1.00 0.00 H new ATOM 0 HA SER A 90 28.464 9.873 -23.437 1.00 0.00 H new ATOM 0 HB2 SER A 90 27.470 8.250 -21.947 1.00 0.00 H new ATOM 0 HB3 SER A 90 28.886 8.216 -20.915 1.00 0.00 H new ATOM 0 HG SER A 90 26.774 9.989 -20.922 1.00 0.00 H new ATOM 1367 N ASP A 91 29.590 11.751 -22.037 1.00 0.00 N ATOM 1368 CA ASP A 91 30.467 12.838 -21.506 1.00 0.00 C ATOM 1369 C ASP A 91 30.591 12.733 -19.980 1.00 0.00 C ATOM 1370 O ASP A 91 31.611 13.130 -19.417 1.00 0.00 O ATOM 1371 CB ASP A 91 29.901 14.215 -21.881 1.00 0.00 C ATOM 1372 CG ASP A 91 30.860 15.309 -21.410 1.00 0.00 C ATOM 1373 OD1 ASP A 91 30.766 15.698 -20.258 1.00 0.00 O ATOM 1374 OD2 ASP A 91 31.675 15.741 -22.210 1.00 0.00 O ATOM 0 H ASP A 91 28.649 12.041 -22.302 1.00 0.00 H new ATOM 0 HA ASP A 91 31.455 12.724 -21.952 1.00 0.00 H new ATOM 0 HB2 ASP A 91 29.761 14.280 -22.960 1.00 0.00 H new ATOM 0 HB3 ASP A 91 28.922 14.354 -21.423 1.00 0.00 H new ATOM 1375 N ILE A 92 29.601 12.205 -19.285 1.00 0.00 N ATOM 1376 CA ILE A 92 29.743 12.089 -17.804 1.00 0.00 C ATOM 1377 C ILE A 92 30.964 11.200 -17.471 1.00 0.00 C ATOM 1378 O ILE A 92 31.544 11.331 -16.396 1.00 0.00 O ATOM 1379 CB ILE A 92 28.462 11.513 -17.174 1.00 0.00 C ATOM 1380 CG1 ILE A 92 28.262 10.057 -17.605 1.00 0.00 C ATOM 1381 CG2 ILE A 92 27.256 12.347 -17.616 1.00 0.00 C ATOM 1382 CD1 ILE A 92 27.057 9.463 -16.871 1.00 0.00 C ATOM 0 H ILE A 92 28.724 11.859 -19.675 1.00 0.00 H new ATOM 0 HA ILE A 92 29.900 13.083 -17.384 1.00 0.00 H new ATOM 0 HB ILE A 92 28.557 11.548 -16.089 1.00 0.00 H new ATOM 0 HG12 ILE A 92 28.106 10.005 -18.682 1.00 0.00 H new ATOM 0 HG13 ILE A 92 29.157 9.476 -17.384 1.00 0.00 H new ATOM 0 HG21 ILE A 92 26.349 11.939 -17.170 1.00 0.00 H new ATOM 0 HG22 ILE A 92 27.388 13.379 -17.291 1.00 0.00 H new ATOM 0 HG23 ILE A 92 27.171 12.317 -18.702 1.00 0.00 H new ATOM 0 HD11 ILE A 92 26.917 8.427 -17.180 1.00 0.00 H new ATOM 0 HD12 ILE A 92 27.231 9.501 -15.796 1.00 0.00 H new ATOM 0 HD13 ILE A 92 26.163 10.038 -17.114 1.00 0.00 H new ATOM 1383 N ILE A 93 31.398 10.323 -18.372 1.00 0.00 N ATOM 1384 CA ILE A 93 32.604 9.490 -18.064 1.00 0.00 C ATOM 1385 C ILE A 93 33.842 10.391 -18.192 1.00 0.00 C ATOM 1386 O ILE A 93 34.785 10.287 -17.410 1.00 0.00 O ATOM 1387 CB ILE A 93 32.780 8.295 -19.037 1.00 0.00 C ATOM 1388 CG1 ILE A 93 31.458 7.796 -19.671 1.00 0.00 C ATOM 1389 CG2 ILE A 93 33.423 7.138 -18.273 1.00 0.00 C ATOM 1390 CD1 ILE A 93 30.328 7.716 -18.642 1.00 0.00 C ATOM 0 H ILE A 93 30.972 10.159 -19.284 1.00 0.00 H new ATOM 0 HA ILE A 93 32.479 9.083 -17.061 1.00 0.00 H new ATOM 0 HB ILE A 93 33.405 8.648 -19.858 1.00 0.00 H new ATOM 0 HG12 ILE A 93 31.167 8.467 -20.479 1.00 0.00 H new ATOM 0 HG13 ILE A 93 31.616 6.813 -20.114 1.00 0.00 H new ATOM 0 HG21 ILE A 93 33.554 6.288 -18.943 1.00 0.00 H new ATOM 0 HG22 ILE A 93 34.394 7.451 -17.889 1.00 0.00 H new ATOM 0 HG23 ILE A 93 32.780 6.849 -17.442 1.00 0.00 H new ATOM 0 HD11 ILE A 93 29.418 7.362 -19.127 1.00 0.00 H new ATOM 0 HD12 ILE A 93 30.608 7.025 -17.847 1.00 0.00 H new ATOM 0 HD13 ILE A 93 30.152 8.704 -18.218 1.00 0.00 H new