USER MOD reduce.3.24.130724 H: found=0, std=0, add=736, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 0 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 65 THR OG1 : rot 180:sc= 0.922 USER MOD Set 1.2: A 85 TYR OH : rot -75:sc= -3.73! USER MOD Set 2.1: A 28 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 77 TYR OH : rot -50:sc= -2.99! USER MOD Set 3.1: A 12 TYR OH : rot 130:sc= -0.87 USER MOD Set 3.2: A 14 ASN : amide:sc= -0.247 X(o=-2.3,f=-2.3) USER MOD Set 3.3: A 50 MET CE :methyl 171:sc=-0.00883 (180deg=-0.165) USER MOD Set 3.4: A 53 GLN : amide:sc= -1.14 X(o=-2.3,f=-2) USER MOD Single : A 8 ASN : amide:sc= -0.45 K(o=-0.45,f=-2.8!) USER MOD Single : A 9 HIS : no HD1:sc= -2.97 X(o=-3,f=-3.3!) USER MOD Single : A 10 THR OG1 : rot -12:sc= -1.45 USER MOD Single : A 15 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 17 ASN : amide:sc= -3.54 K(o=-3.5,f=-6.4!) 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 HIS : no HD1:sc= -0.117 X(o=-0.12,f=-0.49) 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 175:sc= 0.00327 USER MOD Single : A 47 SER OG : rot 180:sc= -0.0358 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 LYS NZ :NH3+ -168:sc= -1.33 (180deg=-1.84) USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 63 SER OG : rot 180:sc= 0.0136 USER MOD Single : A 66 ASN :FLIP amide:sc= -0.334 F(o=-1,f=-0.33) USER MOD Single : A 70 SER OG : rot 79:sc= 0.0478 USER MOD Single : A 71 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 72 GLN : amide:sc=-0.00158 X(o=-0.0016,f=0) USER MOD Single : A 79 LYS NZ :NH3+ -146:sc= 0.108 (180deg=0) USER MOD Single : A 81 MET CE :methyl -166:sc= -0.0162 (180deg=-0.355) USER MOD Single : A 84 GLN : amide:sc= -1.37 K(o=-1.4,f=-3.7) 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 -70:sc= -0.0658 USER MOD ----------------------------------------------------------------- ATOM 682 N PRO A 7 31.469 -2.969 -27.705 1.00 0.00 N ATOM 683 CA PRO A 7 30.996 -2.308 -26.475 1.00 0.00 C ATOM 684 C PRO A 7 31.529 -0.871 -26.393 1.00 0.00 C ATOM 685 O PRO A 7 32.584 -0.555 -26.941 1.00 0.00 O ATOM 686 CB PRO A 7 31.573 -3.172 -25.350 1.00 0.00 C ATOM 687 CG PRO A 7 32.785 -3.919 -25.951 1.00 0.00 C ATOM 688 CD PRO A 7 32.596 -3.909 -27.478 1.00 0.00 C ATOM 0 HA PRO A 7 29.910 -2.229 -26.427 1.00 0.00 H new ATOM 0 HB2 PRO A 7 31.877 -2.556 -24.504 1.00 0.00 H new ATOM 0 HB3 PRO A 7 30.828 -3.876 -24.980 1.00 0.00 H new ATOM 0 HG2 PRO A 7 33.718 -3.429 -25.673 1.00 0.00 H new ATOM 0 HG3 PRO A 7 32.836 -4.940 -25.574 1.00 0.00 H new ATOM 0 HD2 PRO A 7 33.500 -3.576 -27.988 1.00 0.00 H new ATOM 0 HD3 PRO A 7 32.365 -4.905 -27.856 1.00 0.00 H new ATOM 689 N ASN A 8 30.820 0.010 -25.722 1.00 0.00 N ATOM 690 CA ASN A 8 31.289 1.420 -25.615 1.00 0.00 C ATOM 691 C ASN A 8 31.121 1.914 -24.175 1.00 0.00 C ATOM 692 O ASN A 8 32.099 2.177 -23.478 1.00 0.00 O ATOM 693 CB ASN A 8 30.462 2.302 -26.553 1.00 0.00 C ATOM 694 CG ASN A 8 31.209 2.484 -27.881 1.00 0.00 C ATOM 695 OD1 ASN A 8 32.430 2.349 -27.931 1.00 0.00 O ATOM 696 ND2 ASN A 8 30.544 2.786 -28.971 1.00 0.00 N ATOM 0 H ASN A 8 29.940 -0.192 -25.247 1.00 0.00 H new ATOM 0 HA ASN A 8 32.342 1.472 -25.894 1.00 0.00 H new ATOM 0 HB2 ASN A 8 29.488 1.847 -26.732 1.00 0.00 H new ATOM 0 HB3 ASN A 8 30.281 3.272 -26.090 1.00 0.00 H new ATOM 0 HD21 ASN A 8 31.040 2.908 -29.854 1.00 0.00 H new ATOM 0 HD22 ASN A 8 29.531 2.899 -28.935 1.00 0.00 H new ATOM 697 N HIS A 9 29.898 2.047 -23.713 1.00 0.00 N ATOM 698 CA HIS A 9 29.654 2.536 -22.311 1.00 0.00 C ATOM 699 C HIS A 9 28.161 2.863 -22.157 1.00 0.00 C ATOM 700 O HIS A 9 27.527 2.505 -21.165 1.00 0.00 O ATOM 701 CB HIS A 9 30.466 3.822 -22.042 1.00 0.00 C ATOM 702 CG HIS A 9 31.283 3.664 -20.787 1.00 0.00 C ATOM 703 ND1 HIS A 9 32.668 3.648 -20.804 1.00 0.00 N ATOM 704 CD2 HIS A 9 30.923 3.524 -19.470 1.00 0.00 C ATOM 705 CE1 HIS A 9 33.088 3.507 -19.533 1.00 0.00 C ATOM 706 NE2 HIS A 9 32.064 3.425 -18.680 1.00 0.00 N ATOM 0 H HIS A 9 29.054 1.838 -24.247 1.00 0.00 H new ATOM 0 HA HIS A 9 29.959 1.763 -21.606 1.00 0.00 H new ATOM 0 HB2 HIS A 9 31.121 4.032 -22.888 1.00 0.00 H new ATOM 0 HB3 HIS A 9 29.792 4.673 -21.942 1.00 0.00 H new ATOM 0 HD2 HIS A 9 29.908 3.495 -19.103 1.00 0.00 H new ATOM 0 HE1 HIS A 9 34.126 3.465 -19.239 1.00 0.00 H new ATOM 0 HE2 HIS A 9 32.109 3.314 -17.667 1.00 0.00 H new ATOM 707 N THR A 10 27.589 3.544 -23.127 1.00 0.00 N ATOM 708 CA THR A 10 26.146 3.898 -23.041 1.00 0.00 C ATOM 709 C THR A 10 25.344 3.015 -24.010 1.00 0.00 C ATOM 710 O THR A 10 25.887 2.498 -24.982 1.00 0.00 O ATOM 711 CB THR A 10 25.969 5.372 -23.430 1.00 0.00 C ATOM 712 OG1 THR A 10 26.750 6.185 -22.568 1.00 0.00 O ATOM 713 CG2 THR A 10 24.496 5.773 -23.314 1.00 0.00 C ATOM 0 H THR A 10 28.065 3.866 -23.970 1.00 0.00 H new ATOM 0 HA THR A 10 25.787 3.738 -22.024 1.00 0.00 H new ATOM 0 HB THR A 10 26.295 5.510 -24.461 1.00 0.00 H new ATOM 0 HG1 THR A 10 27.066 5.649 -21.811 1.00 0.00 H new ATOM 0 HG21 THR A 10 24.381 6.821 -23.592 1.00 0.00 H new ATOM 0 HG22 THR A 10 23.897 5.153 -23.980 1.00 0.00 H new ATOM 0 HG23 THR A 10 24.160 5.631 -22.287 1.00 0.00 H new ATOM 714 N ILE A 11 24.059 2.848 -23.779 1.00 0.00 N ATOM 715 CA ILE A 11 23.236 2.023 -24.707 1.00 0.00 C ATOM 716 C ILE A 11 22.186 2.938 -25.354 1.00 0.00 C ATOM 717 O ILE A 11 21.950 4.052 -24.880 1.00 0.00 O ATOM 718 CB ILE A 11 22.552 0.880 -23.948 1.00 0.00 C ATOM 719 CG1 ILE A 11 21.742 1.447 -22.782 1.00 0.00 C ATOM 720 CG2 ILE A 11 23.614 -0.083 -23.409 1.00 0.00 C ATOM 721 CD1 ILE A 11 20.819 0.361 -22.223 1.00 0.00 C ATOM 0 H ILE A 11 23.553 3.249 -22.989 1.00 0.00 H new ATOM 0 HA ILE A 11 23.871 1.579 -25.473 1.00 0.00 H new ATOM 0 HB ILE A 11 21.885 0.347 -24.626 1.00 0.00 H new ATOM 0 HG12 ILE A 11 22.412 1.806 -22.001 1.00 0.00 H new ATOM 0 HG13 ILE A 11 21.154 2.302 -23.116 1.00 0.00 H new ATOM 0 HG21 ILE A 11 23.128 -0.896 -22.869 1.00 0.00 H new ATOM 0 HG22 ILE A 11 24.189 -0.492 -24.240 1.00 0.00 H new ATOM 0 HG23 ILE A 11 24.282 0.452 -22.734 1.00 0.00 H new ATOM 0 HD11 ILE A 11 20.242 0.766 -21.392 1.00 0.00 H new ATOM 0 HD12 ILE A 11 20.140 0.023 -23.005 1.00 0.00 H new ATOM 0 HD13 ILE A 11 21.417 -0.480 -21.873 1.00 0.00 H new ATOM 722 N TYR A 12 21.568 2.514 -26.434 1.00 0.00 N ATOM 723 CA TYR A 12 20.567 3.388 -27.111 1.00 0.00 C ATOM 724 C TYR A 12 19.206 2.679 -27.203 1.00 0.00 C ATOM 725 O TYR A 12 19.085 1.623 -27.821 1.00 0.00 O ATOM 726 CB TYR A 12 21.084 3.708 -28.521 1.00 0.00 C ATOM 727 CG TYR A 12 20.083 4.554 -29.276 1.00 0.00 C ATOM 728 CD1 TYR A 12 19.970 5.922 -28.999 1.00 0.00 C ATOM 729 CD2 TYR A 12 19.279 3.969 -30.260 1.00 0.00 C ATOM 730 CE1 TYR A 12 19.051 6.704 -29.709 1.00 0.00 C ATOM 731 CE2 TYR A 12 18.359 4.751 -30.968 1.00 0.00 C ATOM 732 CZ TYR A 12 18.244 6.120 -30.693 1.00 0.00 C ATOM 733 OH TYR A 12 17.336 6.892 -31.393 1.00 0.00 O ATOM 0 H TYR A 12 21.716 1.604 -26.870 1.00 0.00 H new ATOM 0 HA TYR A 12 20.433 4.305 -26.538 1.00 0.00 H new ATOM 0 HB2 TYR A 12 22.036 4.234 -28.454 1.00 0.00 H new ATOM 0 HB3 TYR A 12 21.269 2.782 -29.065 1.00 0.00 H new ATOM 0 HD1 TYR A 12 20.591 6.373 -28.239 1.00 0.00 H new ATOM 0 HD2 TYR A 12 19.368 2.914 -30.473 1.00 0.00 H new ATOM 0 HE1 TYR A 12 18.964 7.760 -29.497 1.00 0.00 H new ATOM 0 HE2 TYR A 12 17.737 4.299 -31.727 1.00 0.00 H new ATOM 0 HH TYR A 12 17.446 6.736 -32.354 1.00 0.00 H new ATOM 734 N ILE A 13 18.172 3.246 -26.620 1.00 0.00 N ATOM 735 CA ILE A 13 16.826 2.609 -26.703 1.00 0.00 C ATOM 736 C ILE A 13 16.045 3.268 -27.849 1.00 0.00 C ATOM 737 O ILE A 13 16.085 4.487 -28.015 1.00 0.00 O ATOM 738 CB ILE A 13 16.075 2.812 -25.384 1.00 0.00 C ATOM 739 CG1 ILE A 13 16.924 2.282 -24.221 1.00 0.00 C ATOM 740 CG2 ILE A 13 14.746 2.055 -25.436 1.00 0.00 C ATOM 741 CD1 ILE A 13 16.810 3.233 -23.028 1.00 0.00 C ATOM 0 H ILE A 13 18.207 4.119 -26.094 1.00 0.00 H new ATOM 0 HA ILE A 13 16.930 1.540 -26.887 1.00 0.00 H new ATOM 0 HB ILE A 13 15.883 3.875 -25.234 1.00 0.00 H new ATOM 0 HG12 ILE A 13 16.588 1.285 -23.937 1.00 0.00 H new ATOM 0 HG13 ILE A 13 17.966 2.192 -24.529 1.00 0.00 H new ATOM 0 HG21 ILE A 13 14.209 2.198 -24.498 1.00 0.00 H new ATOM 0 HG22 ILE A 13 14.143 2.435 -26.261 1.00 0.00 H new ATOM 0 HG23 ILE A 13 14.938 0.993 -25.586 1.00 0.00 H new ATOM 0 HD11 ILE A 13 17.414 2.855 -22.203 1.00 0.00 H new ATOM 0 HD12 ILE A 13 17.167 4.222 -23.316 1.00 0.00 H new ATOM 0 HD13 ILE A 13 15.768 3.300 -22.715 1.00 0.00 H new ATOM 742 N ASN A 14 15.345 2.498 -28.654 1.00 0.00 N ATOM 743 CA ASN A 14 14.587 3.104 -29.787 1.00 0.00 C ATOM 744 C ASN A 14 13.165 2.524 -29.826 1.00 0.00 C ATOM 745 O ASN A 14 12.899 1.471 -29.252 1.00 0.00 O ATOM 746 CB ASN A 14 15.313 2.785 -31.096 1.00 0.00 C ATOM 747 CG ASN A 14 14.678 3.565 -32.254 1.00 0.00 C ATOM 748 OD1 ASN A 14 13.798 3.051 -32.940 1.00 0.00 O ATOM 749 ND2 ASN A 14 15.073 4.787 -32.516 1.00 0.00 N ATOM 0 H ASN A 14 15.269 1.484 -28.572 1.00 0.00 H new ATOM 0 HA ASN A 14 14.525 4.184 -29.655 1.00 0.00 H new ATOM 0 HB2 ASN A 14 16.368 3.044 -31.008 1.00 0.00 H new ATOM 0 HB3 ASN A 14 15.263 1.715 -31.297 1.00 0.00 H new ATOM 0 HD21 ASN A 14 14.650 5.306 -33.286 1.00 0.00 H new ATOM 0 HD22 ASN A 14 15.803 5.219 -31.950 1.00 0.00 H new ATOM 750 N ASN A 15 12.236 3.188 -30.488 1.00 0.00 N ATOM 751 CA ASN A 15 10.835 2.670 -30.555 1.00 0.00 C ATOM 752 C ASN A 15 10.179 2.800 -29.173 1.00 0.00 C ATOM 753 O ASN A 15 9.588 1.850 -28.663 1.00 0.00 O ATOM 754 CB ASN A 15 10.830 1.199 -30.993 1.00 0.00 C ATOM 755 CG ASN A 15 9.675 0.959 -31.974 1.00 0.00 C ATOM 756 OD1 ASN A 15 9.902 0.766 -33.166 1.00 0.00 O ATOM 757 ND2 ASN A 15 8.438 0.961 -31.540 1.00 0.00 N ATOM 0 H ASN A 15 12.394 4.066 -30.983 1.00 0.00 H new ATOM 0 HA ASN A 15 10.274 3.254 -31.285 1.00 0.00 H new ATOM 0 HB2 ASN A 15 11.780 0.946 -31.464 1.00 0.00 H new ATOM 0 HB3 ASN A 15 10.723 0.550 -30.124 1.00 0.00 H new ATOM 0 HD21 ASN A 15 7.669 0.803 -32.191 1.00 0.00 H new ATOM 0 HD22 ASN A 15 8.245 1.121 -30.551 1.00 0.00 H new ATOM 758 N LEU A 16 10.265 3.960 -28.556 1.00 0.00 N ATOM 759 CA LEU A 16 9.633 4.131 -27.210 1.00 0.00 C ATOM 760 C LEU A 16 8.152 4.497 -27.396 1.00 0.00 C ATOM 761 O LEU A 16 7.646 4.515 -28.517 1.00 0.00 O ATOM 762 CB LEU A 16 10.350 5.247 -26.433 1.00 0.00 C ATOM 763 CG LEU A 16 11.224 4.637 -25.336 1.00 0.00 C ATOM 764 CD1 LEU A 16 12.468 4.005 -25.964 1.00 0.00 C ATOM 765 CD2 LEU A 16 11.652 5.734 -24.356 1.00 0.00 C ATOM 0 H LEU A 16 10.740 4.784 -28.924 1.00 0.00 H new ATOM 0 HA LEU A 16 9.715 3.201 -26.647 1.00 0.00 H new ATOM 0 HB2 LEU A 16 10.964 5.839 -27.112 1.00 0.00 H new ATOM 0 HB3 LEU A 16 9.618 5.924 -25.993 1.00 0.00 H new ATOM 0 HG LEU A 16 10.657 3.873 -24.805 1.00 0.00 H new ATOM 0 HD11 LEU A 16 13.090 3.571 -25.181 1.00 0.00 H new ATOM 0 HD12 LEU A 16 12.166 3.225 -26.663 1.00 0.00 H new ATOM 0 HD13 LEU A 16 13.035 4.769 -26.496 1.00 0.00 H new ATOM 0 HD21 LEU A 16 12.275 5.300 -23.574 1.00 0.00 H new ATOM 0 HD22 LEU A 16 12.218 6.498 -24.889 1.00 0.00 H new ATOM 0 HD23 LEU A 16 10.768 6.186 -23.907 1.00 0.00 H new ATOM 766 N ASN A 17 7.442 4.789 -26.327 1.00 0.00 N ATOM 767 CA ASN A 17 5.997 5.149 -26.470 1.00 0.00 C ATOM 768 C ASN A 17 5.869 6.647 -26.769 1.00 0.00 C ATOM 769 O ASN A 17 6.767 7.431 -26.470 1.00 0.00 O ATOM 770 CB ASN A 17 5.241 4.816 -25.174 1.00 0.00 C ATOM 771 CG ASN A 17 4.281 3.644 -25.419 1.00 0.00 C ATOM 772 OD1 ASN A 17 4.574 2.758 -26.218 1.00 0.00 O ATOM 773 ND2 ASN A 17 3.140 3.587 -24.776 1.00 0.00 N ATOM 0 H ASN A 17 7.800 4.793 -25.372 1.00 0.00 H new ATOM 0 HA ASN A 17 5.566 4.575 -27.291 1.00 0.00 H new ATOM 0 HB2 ASN A 17 5.948 4.560 -24.385 1.00 0.00 H new ATOM 0 HB3 ASN A 17 4.684 5.689 -24.832 1.00 0.00 H new ATOM 0 HD21 ASN A 17 2.500 2.810 -24.940 1.00 0.00 H new ATOM 0 HD22 ASN A 17 2.892 4.320 -24.112 1.00 0.00 H new ATOM 774 N GLU A 18 4.768 7.064 -27.353 1.00 0.00 N ATOM 775 CA GLU A 18 4.591 8.511 -27.662 1.00 0.00 C ATOM 776 C GLU A 18 3.643 9.147 -26.631 1.00 0.00 C ATOM 777 O GLU A 18 2.798 9.970 -26.978 1.00 0.00 O ATOM 778 CB GLU A 18 3.997 8.661 -29.064 1.00 0.00 C ATOM 779 CG GLU A 18 5.125 8.645 -30.100 1.00 0.00 C ATOM 780 CD GLU A 18 4.529 8.486 -31.500 1.00 0.00 C ATOM 781 OE1 GLU A 18 3.777 7.546 -31.700 1.00 0.00 O ATOM 782 OE2 GLU A 18 4.836 9.305 -32.349 1.00 0.00 O ATOM 0 H GLU A 18 3.990 6.463 -27.626 1.00 0.00 H new ATOM 0 HA GLU A 18 5.558 9.013 -27.620 1.00 0.00 H new ATOM 0 HB2 GLU A 18 3.295 7.851 -29.262 1.00 0.00 H new ATOM 0 HB3 GLU A 18 3.436 9.593 -29.135 1.00 0.00 H new ATOM 0 HG2 GLU A 18 5.701 9.569 -30.041 1.00 0.00 H new ATOM 0 HG3 GLU A 18 5.814 7.826 -29.891 1.00 0.00 H new ATOM 783 N LYS A 19 3.767 8.791 -25.368 1.00 0.00 N ATOM 784 CA LYS A 19 2.872 9.387 -24.331 1.00 0.00 C ATOM 785 C LYS A 19 3.575 9.346 -22.964 1.00 0.00 C ATOM 786 O LYS A 19 2.959 9.043 -21.943 1.00 0.00 O ATOM 787 CB LYS A 19 1.567 8.589 -24.255 1.00 0.00 C ATOM 788 CG LYS A 19 0.899 8.570 -25.629 1.00 0.00 C ATOM 789 CD LYS A 19 -0.506 7.976 -25.507 1.00 0.00 C ATOM 790 CE LYS A 19 -0.865 7.242 -26.800 1.00 0.00 C ATOM 791 NZ LYS A 19 -0.323 5.853 -26.750 1.00 0.00 N ATOM 0 H LYS A 19 4.447 8.117 -25.018 1.00 0.00 H new ATOM 0 HA LYS A 19 2.649 10.420 -24.598 1.00 0.00 H new ATOM 0 HB2 LYS A 19 1.770 7.571 -23.924 1.00 0.00 H new ATOM 0 HB3 LYS A 19 0.898 9.036 -23.520 1.00 0.00 H new ATOM 0 HG2 LYS A 19 0.844 9.581 -26.032 1.00 0.00 H new ATOM 0 HG3 LYS A 19 1.495 7.981 -26.326 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -0.549 7.289 -24.662 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -1.231 8.767 -25.312 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -1.947 7.217 -26.928 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -0.454 7.773 -27.659 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -0.567 5.353 -27.629 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 0.711 5.887 -26.647 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -0.735 5.348 -25.939 1.00 0.00 H new ATOM 792 N ILE A 20 4.856 9.632 -22.926 1.00 0.00 N ATOM 793 CA ILE A 20 5.598 9.595 -21.634 1.00 0.00 C ATOM 794 C ILE A 20 5.786 11.025 -21.131 1.00 0.00 C ATOM 795 O ILE A 20 5.766 11.970 -21.920 1.00 0.00 O ATOM 796 CB ILE A 20 6.960 8.928 -21.855 1.00 0.00 C ATOM 797 CG1 ILE A 20 6.758 7.588 -22.579 1.00 0.00 C ATOM 798 CG2 ILE A 20 7.637 8.674 -20.505 1.00 0.00 C ATOM 799 CD1 ILE A 20 7.816 7.418 -23.659 1.00 0.00 C ATOM 0 H ILE A 20 5.417 9.889 -23.738 1.00 0.00 H new ATOM 0 HA ILE A 20 5.039 9.023 -20.893 1.00 0.00 H new ATOM 0 HB ILE A 20 7.589 9.583 -22.458 1.00 0.00 H new ATOM 0 HG12 ILE A 20 6.819 6.766 -21.865 1.00 0.00 H new ATOM 0 HG13 ILE A 20 5.763 7.551 -23.023 1.00 0.00 H new ATOM 0 HG21 ILE A 20 8.605 8.200 -20.667 1.00 0.00 H new ATOM 0 HG22 ILE A 20 7.780 9.622 -19.985 1.00 0.00 H new ATOM 0 HG23 ILE A 20 7.009 8.020 -19.900 1.00 0.00 H new ATOM 0 HD11 ILE A 20 7.667 6.466 -24.168 1.00 0.00 H new ATOM 0 HD12 ILE A 20 7.734 8.232 -24.380 1.00 0.00 H new ATOM 0 HD13 ILE A 20 8.806 7.435 -23.204 1.00 0.00 H new ATOM 800 N LYS A 21 5.940 11.220 -19.838 1.00 0.00 N ATOM 801 CA LYS A 21 6.091 12.612 -19.328 1.00 0.00 C ATOM 802 C LYS A 21 7.469 12.858 -18.689 1.00 0.00 C ATOM 803 O LYS A 21 7.583 13.691 -17.797 1.00 0.00 O ATOM 804 CB LYS A 21 4.994 12.898 -18.301 1.00 0.00 C ATOM 805 CG LYS A 21 3.706 13.292 -19.026 1.00 0.00 C ATOM 806 CD LYS A 21 2.567 13.421 -18.012 1.00 0.00 C ATOM 807 CE LYS A 21 1.225 13.374 -18.742 1.00 0.00 C ATOM 808 NZ LYS A 21 0.182 12.823 -17.831 1.00 0.00 N ATOM 0 H LYS A 21 5.967 10.486 -19.131 1.00 0.00 H new ATOM 0 HA LYS A 21 6.003 13.285 -20.181 1.00 0.00 H new ATOM 0 HB2 LYS A 21 4.821 12.017 -17.683 1.00 0.00 H new ATOM 0 HB3 LYS A 21 5.307 13.700 -17.632 1.00 0.00 H new ATOM 0 HG2 LYS A 21 3.847 14.236 -19.552 1.00 0.00 H new ATOM 0 HG3 LYS A 21 3.455 12.543 -19.777 1.00 0.00 H new ATOM 0 HD2 LYS A 21 2.624 12.614 -17.281 1.00 0.00 H new ATOM 0 HD3 LYS A 21 2.661 14.357 -17.461 1.00 0.00 H new ATOM 0 HE2 LYS A 21 0.943 14.374 -19.072 1.00 0.00 H new ATOM 0 HE3 LYS A 21 1.306 12.755 -19.635 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -0.731 12.791 -18.328 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 0.450 11.862 -17.537 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 0.098 13.431 -16.991 1.00 0.00 H new ATOM 809 N LYS A 22 8.516 12.196 -19.152 1.00 0.00 N ATOM 810 CA LYS A 22 9.907 12.417 -18.604 1.00 0.00 C ATOM 811 C LYS A 22 10.125 11.685 -17.263 1.00 0.00 C ATOM 812 O LYS A 22 10.835 10.682 -17.217 1.00 0.00 O ATOM 813 CB LYS A 22 10.193 13.924 -18.432 1.00 0.00 C ATOM 814 CG LYS A 22 11.481 14.311 -19.178 1.00 0.00 C ATOM 815 CD LYS A 22 11.145 15.233 -20.355 1.00 0.00 C ATOM 816 CE LYS A 22 11.260 16.691 -19.908 1.00 0.00 C ATOM 817 NZ LYS A 22 11.743 17.524 -21.045 1.00 0.00 N ATOM 0 H LYS A 22 8.464 11.502 -19.897 1.00 0.00 H new ATOM 0 HA LYS A 22 10.605 11.999 -19.330 1.00 0.00 H new ATOM 0 HB2 LYS A 22 9.354 14.506 -18.814 1.00 0.00 H new ATOM 0 HB3 LYS A 22 10.292 14.164 -17.373 1.00 0.00 H new ATOM 0 HG2 LYS A 22 12.169 14.812 -18.497 1.00 0.00 H new ATOM 0 HG3 LYS A 22 11.986 13.415 -19.539 1.00 0.00 H new ATOM 0 HD2 LYS A 22 11.824 15.042 -21.186 1.00 0.00 H new ATOM 0 HD3 LYS A 22 10.136 15.030 -20.714 1.00 0.00 H new ATOM 0 HE2 LYS A 22 10.292 17.054 -19.563 1.00 0.00 H new ATOM 0 HE3 LYS A 22 11.948 16.771 -19.067 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 11.821 18.515 -20.740 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 12.675 17.182 -21.354 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 11.070 17.457 -21.835 1.00 0.00 H new ATOM 818 N ASP A 23 9.553 12.151 -16.175 1.00 0.00 N ATOM 819 CA ASP A 23 9.762 11.458 -14.866 1.00 0.00 C ATOM 820 C ASP A 23 9.316 10.001 -14.987 1.00 0.00 C ATOM 821 O ASP A 23 9.820 9.137 -14.272 1.00 0.00 O ATOM 822 CB ASP A 23 8.949 12.143 -13.757 1.00 0.00 C ATOM 823 CG ASP A 23 9.708 13.371 -13.252 1.00 0.00 C ATOM 824 OD1 ASP A 23 9.607 14.408 -13.887 1.00 0.00 O ATOM 825 OD2 ASP A 23 10.378 13.254 -12.239 1.00 0.00 O ATOM 0 H ASP A 23 8.955 12.976 -16.139 1.00 0.00 H new ATOM 0 HA ASP A 23 10.820 11.506 -14.610 1.00 0.00 H new ATOM 0 HB2 ASP A 23 7.971 12.438 -14.138 1.00 0.00 H new ATOM 0 HB3 ASP A 23 8.775 11.447 -12.936 1.00 0.00 H new ATOM 826 N GLU A 24 8.381 9.695 -15.866 1.00 0.00 N ATOM 827 CA GLU A 24 7.942 8.282 -15.985 1.00 0.00 C ATOM 828 C GLU A 24 9.060 7.456 -16.640 1.00 0.00 C ATOM 829 O GLU A 24 9.341 6.334 -16.221 1.00 0.00 O ATOM 830 CB GLU A 24 6.670 8.178 -16.833 1.00 0.00 C ATOM 831 CG GLU A 24 5.791 7.045 -16.301 1.00 0.00 C ATOM 832 CD GLU A 24 4.325 7.343 -16.615 1.00 0.00 C ATOM 833 OE1 GLU A 24 3.900 7.035 -17.716 1.00 0.00 O ATOM 834 OE2 GLU A 24 3.650 7.876 -15.748 1.00 0.00 O ATOM 0 H GLU A 24 7.918 10.356 -16.489 1.00 0.00 H new ATOM 0 HA GLU A 24 7.728 7.898 -14.988 1.00 0.00 H new ATOM 0 HB2 GLU A 24 6.123 9.121 -16.804 1.00 0.00 H new ATOM 0 HB3 GLU A 24 6.930 7.992 -17.875 1.00 0.00 H new ATOM 0 HG2 GLU A 24 6.086 6.099 -16.755 1.00 0.00 H new ATOM 0 HG3 GLU A 24 5.929 6.939 -15.225 1.00 0.00 H new ATOM 835 N LEU A 25 9.706 7.981 -17.661 1.00 0.00 N ATOM 836 CA LEU A 25 10.802 7.199 -18.329 1.00 0.00 C ATOM 837 C LEU A 25 12.032 7.059 -17.411 1.00 0.00 C ATOM 838 O LEU A 25 12.847 6.162 -17.612 1.00 0.00 O ATOM 839 CB LEU A 25 11.227 7.890 -19.634 1.00 0.00 C ATOM 840 CG LEU A 25 11.566 6.833 -20.686 1.00 0.00 C ATOM 841 CD1 LEU A 25 10.285 6.134 -21.140 1.00 0.00 C ATOM 842 CD2 LEU A 25 12.233 7.507 -21.887 1.00 0.00 C ATOM 0 H LEU A 25 9.525 8.904 -18.056 1.00 0.00 H new ATOM 0 HA LEU A 25 10.411 6.205 -18.545 1.00 0.00 H new ATOM 0 HB2 LEU A 25 10.424 8.533 -19.995 1.00 0.00 H new ATOM 0 HB3 LEU A 25 12.091 8.529 -19.454 1.00 0.00 H new ATOM 0 HG LEU A 25 12.246 6.098 -20.256 1.00 0.00 H new ATOM 0 HD11 LEU A 25 10.528 5.381 -21.890 1.00 0.00 H new ATOM 0 HD12 LEU A 25 9.809 5.654 -20.284 1.00 0.00 H new ATOM 0 HD13 LEU A 25 9.603 6.868 -21.570 1.00 0.00 H new ATOM 0 HD21 LEU A 25 12.475 6.755 -22.638 1.00 0.00 H new ATOM 0 HD22 LEU A 25 11.552 8.242 -22.316 1.00 0.00 H new ATOM 0 HD23 LEU A 25 13.147 8.005 -21.564 1.00 0.00 H new ATOM 843 N LYS A 26 12.199 7.904 -16.414 1.00 0.00 N ATOM 844 CA LYS A 26 13.392 7.761 -15.521 1.00 0.00 C ATOM 845 C LYS A 26 13.089 6.762 -14.389 1.00 0.00 C ATOM 846 O LYS A 26 13.995 6.098 -13.888 1.00 0.00 O ATOM 847 CB LYS A 26 13.765 9.121 -14.918 1.00 0.00 C ATOM 848 CG LYS A 26 15.051 8.983 -14.099 1.00 0.00 C ATOM 849 CD LYS A 26 15.625 10.371 -13.813 1.00 0.00 C ATOM 850 CE LYS A 26 16.811 10.246 -12.854 1.00 0.00 C ATOM 851 NZ LYS A 26 16.854 11.436 -11.958 1.00 0.00 N ATOM 0 H LYS A 26 11.570 8.673 -16.186 1.00 0.00 H new ATOM 0 HA LYS A 26 14.228 7.389 -16.113 1.00 0.00 H new ATOM 0 HB2 LYS A 26 13.904 9.856 -15.711 1.00 0.00 H new ATOM 0 HB3 LYS A 26 12.955 9.484 -14.285 1.00 0.00 H new ATOM 0 HG2 LYS A 26 14.845 8.463 -13.163 1.00 0.00 H new ATOM 0 HG3 LYS A 26 15.779 8.382 -14.644 1.00 0.00 H new ATOM 0 HD2 LYS A 26 15.944 10.843 -14.742 1.00 0.00 H new ATOM 0 HD3 LYS A 26 14.857 11.011 -13.377 1.00 0.00 H new ATOM 0 HE2 LYS A 26 16.719 9.335 -12.262 1.00 0.00 H new ATOM 0 HE3 LYS A 26 17.741 10.168 -13.417 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 17.660 11.351 -11.306 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 16.961 12.298 -12.530 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 15.971 11.491 -11.411 1.00 0.00 H new ATOM 852 N LYS A 27 11.845 6.628 -13.971 1.00 0.00 N ATOM 853 CA LYS A 27 11.534 5.655 -12.879 1.00 0.00 C ATOM 854 C LYS A 27 11.511 4.220 -13.442 1.00 0.00 C ATOM 855 O LYS A 27 11.810 3.268 -12.723 1.00 0.00 O ATOM 856 CB LYS A 27 10.167 5.978 -12.254 1.00 0.00 C ATOM 857 CG LYS A 27 10.269 5.924 -10.728 1.00 0.00 C ATOM 858 CD LYS A 27 8.866 5.857 -10.122 1.00 0.00 C ATOM 859 CE LYS A 27 8.894 6.430 -8.704 1.00 0.00 C ATOM 860 NZ LYS A 27 7.551 6.978 -8.363 1.00 0.00 N ATOM 0 H LYS A 27 11.046 7.145 -14.337 1.00 0.00 H new ATOM 0 HA LYS A 27 12.307 5.733 -12.114 1.00 0.00 H new ATOM 0 HB2 LYS A 27 9.837 6.967 -12.571 1.00 0.00 H new ATOM 0 HB3 LYS A 27 9.420 5.265 -12.603 1.00 0.00 H new ATOM 0 HG2 LYS A 27 10.850 5.054 -10.423 1.00 0.00 H new ATOM 0 HG3 LYS A 27 10.795 6.804 -10.357 1.00 0.00 H new ATOM 0 HD2 LYS A 27 8.165 6.419 -10.739 1.00 0.00 H new ATOM 0 HD3 LYS A 27 8.516 4.825 -10.102 1.00 0.00 H new ATOM 0 HE2 LYS A 27 9.173 5.653 -7.992 1.00 0.00 H new ATOM 0 HE3 LYS A 27 9.648 7.214 -8.632 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 7.570 7.368 -7.399 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 7.302 7.731 -9.036 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 6.843 6.218 -8.416 1.00 0.00 H new ATOM 861 N SER A 28 11.159 4.032 -14.702 1.00 0.00 N ATOM 862 CA SER A 28 11.126 2.643 -15.254 1.00 0.00 C ATOM 863 C SER A 28 12.511 2.255 -15.801 1.00 0.00 C ATOM 864 O SER A 28 12.935 1.108 -15.663 1.00 0.00 O ATOM 865 CB SER A 28 10.091 2.553 -16.380 1.00 0.00 C ATOM 866 OG SER A 28 8.786 2.659 -15.826 1.00 0.00 O ATOM 0 H SER A 28 10.899 4.771 -15.355 1.00 0.00 H new ATOM 0 HA SER A 28 10.852 1.956 -14.453 1.00 0.00 H new ATOM 0 HB2 SER A 28 10.256 3.349 -17.106 1.00 0.00 H new ATOM 0 HB3 SER A 28 10.197 1.608 -16.913 1.00 0.00 H new ATOM 0 HG SER A 28 8.121 2.604 -16.543 1.00 0.00 H new ATOM 867 N LEU A 29 13.230 3.172 -16.417 1.00 0.00 N ATOM 868 CA LEU A 29 14.580 2.810 -16.963 1.00 0.00 C ATOM 869 C LEU A 29 15.566 2.618 -15.804 1.00 0.00 C ATOM 870 O LEU A 29 16.221 1.584 -15.697 1.00 0.00 O ATOM 871 CB LEU A 29 15.101 3.922 -17.885 1.00 0.00 C ATOM 872 CG LEU A 29 14.208 4.026 -19.122 1.00 0.00 C ATOM 873 CD1 LEU A 29 14.567 5.290 -19.903 1.00 0.00 C ATOM 874 CD2 LEU A 29 14.426 2.801 -20.013 1.00 0.00 C ATOM 0 H LEU A 29 12.944 4.140 -16.563 1.00 0.00 H new ATOM 0 HA LEU A 29 14.489 1.886 -17.534 1.00 0.00 H new ATOM 0 HB2 LEU A 29 15.114 4.873 -17.353 1.00 0.00 H new ATOM 0 HB3 LEU A 29 16.128 3.710 -18.183 1.00 0.00 H new ATOM 0 HG LEU A 29 13.164 4.071 -18.813 1.00 0.00 H new ATOM 0 HD11 LEU A 29 13.931 5.366 -20.785 1.00 0.00 H new ATOM 0 HD12 LEU A 29 14.415 6.164 -19.270 1.00 0.00 H new ATOM 0 HD13 LEU A 29 15.611 5.243 -20.211 1.00 0.00 H new ATOM 0 HD21 LEU A 29 13.790 2.875 -20.895 1.00 0.00 H new ATOM 0 HD22 LEU A 29 15.470 2.757 -20.322 1.00 0.00 H new ATOM 0 HD23 LEU A 29 14.173 1.898 -19.458 1.00 0.00 H new ATOM 875 N HIS A 30 15.688 3.592 -14.936 1.00 0.00 N ATOM 876 CA HIS A 30 16.642 3.452 -13.785 1.00 0.00 C ATOM 877 C HIS A 30 16.372 2.153 -13.001 1.00 0.00 C ATOM 878 O HIS A 30 17.282 1.603 -12.384 1.00 0.00 O ATOM 879 CB HIS A 30 16.504 4.648 -12.832 1.00 0.00 C ATOM 880 CG HIS A 30 17.771 4.803 -12.038 1.00 0.00 C ATOM 881 ND1 HIS A 30 17.847 4.465 -10.696 1.00 0.00 N ATOM 882 CD2 HIS A 30 19.019 5.258 -12.382 1.00 0.00 C ATOM 883 CE1 HIS A 30 19.103 4.717 -10.286 1.00 0.00 C ATOM 884 NE2 HIS A 30 19.860 5.204 -11.274 1.00 0.00 N ATOM 0 H HIS A 30 15.174 4.472 -14.971 1.00 0.00 H new ATOM 0 HA HIS A 30 17.653 3.419 -14.192 1.00 0.00 H new ATOM 0 HB2 HIS A 30 16.303 5.557 -13.399 1.00 0.00 H new ATOM 0 HB3 HIS A 30 15.658 4.497 -12.162 1.00 0.00 H new ATOM 0 HD2 HIS A 30 19.305 5.605 -13.364 1.00 0.00 H new ATOM 0 HE1 HIS A 30 19.457 4.546 -9.280 1.00 0.00 H new ATOM 0 HE2 HIS A 30 20.842 5.477 -11.226 1.00 0.00 H new ATOM 885 N ALA A 31 15.154 1.649 -12.994 1.00 0.00 N ATOM 886 CA ALA A 31 14.878 0.393 -12.225 1.00 0.00 C ATOM 887 C ALA A 31 15.352 -0.832 -13.023 1.00 0.00 C ATOM 888 O ALA A 31 16.308 -1.497 -12.635 1.00 0.00 O ATOM 889 CB ALA A 31 13.376 0.264 -11.944 1.00 0.00 C ATOM 0 H ALA A 31 14.352 2.049 -13.481 1.00 0.00 H new ATOM 0 HA ALA A 31 15.420 0.441 -11.280 1.00 0.00 H new ATOM 0 HB1 ALA A 31 13.188 -0.652 -11.385 1.00 0.00 H new ATOM 0 HB2 ALA A 31 13.040 1.121 -11.360 1.00 0.00 H new ATOM 0 HB3 ALA A 31 12.831 0.232 -12.887 1.00 0.00 H new ATOM 890 N ILE A 32 14.689 -1.166 -14.114 1.00 0.00 N ATOM 891 CA ILE A 32 15.088 -2.364 -14.906 1.00 0.00 C ATOM 892 C ILE A 32 16.615 -2.426 -15.133 1.00 0.00 C ATOM 893 O ILE A 32 17.266 -3.389 -14.735 1.00 0.00 O ATOM 894 CB ILE A 32 14.364 -2.397 -16.267 1.00 0.00 C ATOM 895 CG1 ILE A 32 14.138 -0.992 -16.878 1.00 0.00 C ATOM 896 CG2 ILE A 32 13.015 -3.100 -16.105 1.00 0.00 C ATOM 897 CD1 ILE A 32 14.638 -0.969 -18.326 1.00 0.00 C ATOM 0 H ILE A 32 13.888 -0.653 -14.483 1.00 0.00 H new ATOM 0 HA ILE A 32 14.793 -3.235 -14.321 1.00 0.00 H new ATOM 0 HB ILE A 32 15.011 -2.941 -16.955 1.00 0.00 H new ATOM 0 HG12 ILE A 32 13.079 -0.737 -16.845 1.00 0.00 H new ATOM 0 HG13 ILE A 32 14.665 -0.241 -16.290 1.00 0.00 H new ATOM 0 HG21 ILE A 32 12.500 -3.125 -17.065 1.00 0.00 H new ATOM 0 HG22 ILE A 32 13.176 -4.119 -15.753 1.00 0.00 H new ATOM 0 HG23 ILE A 32 12.407 -2.558 -15.381 1.00 0.00 H new ATOM 0 HD11 ILE A 32 14.477 0.022 -18.751 1.00 0.00 H new ATOM 0 HD12 ILE A 32 15.702 -1.204 -18.347 1.00 0.00 H new ATOM 0 HD13 ILE A 32 14.091 -1.708 -18.911 1.00 0.00 H new ATOM 898 N PHE A 33 17.197 -1.441 -15.773 1.00 0.00 N ATOM 899 CA PHE A 33 18.678 -1.480 -16.027 1.00 0.00 C ATOM 900 C PHE A 33 19.453 -1.563 -14.700 1.00 0.00 C ATOM 901 O PHE A 33 20.486 -2.226 -14.621 1.00 0.00 O ATOM 902 CB PHE A 33 19.116 -0.220 -16.786 1.00 0.00 C ATOM 903 CG PHE A 33 18.577 -0.270 -18.196 1.00 0.00 C ATOM 904 CD1 PHE A 33 19.284 -0.954 -19.190 1.00 0.00 C ATOM 905 CD2 PHE A 33 17.370 0.367 -18.507 1.00 0.00 C ATOM 906 CE1 PHE A 33 18.785 -1.002 -20.497 1.00 0.00 C ATOM 907 CE2 PHE A 33 16.871 0.318 -19.814 1.00 0.00 C ATOM 908 CZ PHE A 33 17.578 -0.367 -20.809 1.00 0.00 C ATOM 0 H PHE A 33 16.717 -0.615 -16.130 1.00 0.00 H new ATOM 0 HA PHE A 33 18.897 -2.364 -16.626 1.00 0.00 H new ATOM 0 HB2 PHE A 33 18.749 0.671 -16.276 1.00 0.00 H new ATOM 0 HB3 PHE A 33 20.204 -0.152 -16.803 1.00 0.00 H new ATOM 0 HD1 PHE A 33 20.215 -1.445 -18.949 1.00 0.00 H new ATOM 0 HD2 PHE A 33 16.824 0.896 -17.739 1.00 0.00 H new ATOM 0 HE1 PHE A 33 19.332 -1.529 -21.265 1.00 0.00 H new ATOM 0 HE2 PHE A 33 15.940 0.809 -20.055 1.00 0.00 H new ATOM 0 HZ PHE A 33 17.192 -0.405 -21.817 1.00 0.00 H new ATOM 909 N SER A 34 18.998 -0.898 -13.659 1.00 0.00 N ATOM 910 CA SER A 34 19.747 -0.949 -12.356 1.00 0.00 C ATOM 911 C SER A 34 19.960 -2.408 -11.915 1.00 0.00 C ATOM 912 O SER A 34 21.006 -2.749 -11.365 1.00 0.00 O ATOM 913 CB SER A 34 18.965 -0.209 -11.263 1.00 0.00 C ATOM 914 OG SER A 34 19.357 -0.704 -9.989 1.00 0.00 O ATOM 0 H SER A 34 18.151 -0.329 -13.654 1.00 0.00 H new ATOM 0 HA SER A 34 20.714 -0.469 -12.503 1.00 0.00 H new ATOM 0 HB2 SER A 34 19.157 0.862 -11.325 1.00 0.00 H new ATOM 0 HB3 SER A 34 17.894 -0.350 -11.407 1.00 0.00 H new ATOM 0 HG SER A 34 18.861 -0.232 -9.288 1.00 0.00 H new ATOM 915 N ARG A 35 18.995 -3.279 -12.125 1.00 0.00 N ATOM 916 CA ARG A 35 19.167 -4.709 -11.691 1.00 0.00 C ATOM 917 C ARG A 35 20.497 -5.273 -12.222 1.00 0.00 C ATOM 918 O ARG A 35 21.241 -5.921 -11.487 1.00 0.00 O ATOM 919 CB ARG A 35 18.013 -5.569 -12.225 1.00 0.00 C ATOM 920 CG ARG A 35 16.697 -5.115 -11.588 1.00 0.00 C ATOM 921 CD ARG A 35 15.562 -5.241 -12.606 1.00 0.00 C ATOM 922 NE ARG A 35 14.837 -6.525 -12.387 1.00 0.00 N ATOM 923 CZ ARG A 35 13.601 -6.515 -11.972 1.00 0.00 C ATOM 924 NH1 ARG A 35 13.239 -5.697 -11.022 1.00 0.00 N ATOM 925 NH2 ARG A 35 12.725 -7.321 -12.509 1.00 0.00 N ATOM 0 H ARG A 35 18.104 -3.065 -12.574 1.00 0.00 H new ATOM 0 HA ARG A 35 19.169 -4.736 -10.601 1.00 0.00 H new ATOM 0 HB2 ARG A 35 17.953 -5.482 -13.310 1.00 0.00 H new ATOM 0 HB3 ARG A 35 18.195 -6.620 -11.999 1.00 0.00 H new ATOM 0 HG2 ARG A 35 16.479 -5.721 -10.709 1.00 0.00 H new ATOM 0 HG3 ARG A 35 16.782 -4.082 -11.250 1.00 0.00 H new ATOM 0 HD2 ARG A 35 14.874 -4.401 -12.505 1.00 0.00 H new ATOM 0 HD3 ARG A 35 15.962 -5.206 -13.619 1.00 0.00 H new ATOM 0 HE ARG A 35 15.308 -7.412 -12.562 1.00 0.00 H new ATOM 0 HH11 ARG A 35 13.923 -5.066 -10.604 1.00 0.00 H new ATOM 0 HH12 ARG A 35 12.272 -5.689 -10.697 1.00 0.00 H new ATOM 0 HH21 ARG A 35 13.008 -7.959 -13.253 1.00 0.00 H new ATOM 0 HH22 ARG A 35 11.758 -7.313 -12.184 1.00 0.00 H new ATOM 926 N PHE A 36 20.811 -5.050 -13.480 1.00 0.00 N ATOM 927 CA PHE A 36 22.097 -5.594 -14.029 1.00 0.00 C ATOM 928 C PHE A 36 23.279 -5.072 -13.199 1.00 0.00 C ATOM 929 O PHE A 36 24.033 -5.855 -12.621 1.00 0.00 O ATOM 930 CB PHE A 36 22.278 -5.165 -15.492 1.00 0.00 C ATOM 931 CG PHE A 36 21.181 -5.777 -16.332 1.00 0.00 C ATOM 932 CD1 PHE A 36 21.299 -7.097 -16.784 1.00 0.00 C ATOM 933 CD2 PHE A 36 20.047 -5.026 -16.655 1.00 0.00 C ATOM 934 CE1 PHE A 36 20.281 -7.664 -17.560 1.00 0.00 C ATOM 935 CE2 PHE A 36 19.028 -5.592 -17.431 1.00 0.00 C ATOM 936 CZ PHE A 36 19.146 -6.911 -17.884 1.00 0.00 C ATOM 0 H PHE A 36 20.241 -4.523 -14.141 1.00 0.00 H new ATOM 0 HA PHE A 36 22.063 -6.682 -13.977 1.00 0.00 H new ATOM 0 HB2 PHE A 36 22.248 -4.078 -15.570 1.00 0.00 H new ATOM 0 HB3 PHE A 36 23.254 -5.485 -15.859 1.00 0.00 H new ATOM 0 HD1 PHE A 36 22.175 -7.677 -16.534 1.00 0.00 H new ATOM 0 HD2 PHE A 36 19.957 -4.008 -16.306 1.00 0.00 H new ATOM 0 HE1 PHE A 36 20.371 -8.682 -17.909 1.00 0.00 H new ATOM 0 HE2 PHE A 36 18.152 -5.011 -17.680 1.00 0.00 H new ATOM 0 HZ PHE A 36 18.361 -7.348 -18.484 1.00 0.00 H new ATOM 937 N GLY A 37 23.468 -3.771 -13.124 1.00 0.00 N ATOM 938 CA GLY A 37 24.611 -3.232 -12.328 1.00 0.00 C ATOM 939 C GLY A 37 24.231 -1.871 -11.725 1.00 0.00 C ATOM 940 O GLY A 37 23.207 -1.742 -11.057 1.00 0.00 O ATOM 0 H GLY A 37 22.883 -3.069 -13.577 1.00 0.00 H new ATOM 0 HA2 GLY A 37 24.874 -3.931 -11.534 1.00 0.00 H new ATOM 0 HA3 GLY A 37 25.490 -3.126 -12.963 1.00 0.00 H new ATOM 941 N GLN A 38 25.033 -0.849 -11.941 1.00 0.00 N ATOM 942 CA GLN A 38 24.701 0.489 -11.372 1.00 0.00 C ATOM 943 C GLN A 38 24.564 1.509 -12.509 1.00 0.00 C ATOM 944 O GLN A 38 25.360 1.517 -13.447 1.00 0.00 O ATOM 945 CB GLN A 38 25.816 0.934 -10.422 1.00 0.00 C ATOM 946 CG GLN A 38 25.275 1.997 -9.464 1.00 0.00 C ATOM 947 CD GLN A 38 26.439 2.633 -8.695 1.00 0.00 C ATOM 948 OE1 GLN A 38 26.814 2.153 -7.627 1.00 0.00 O ATOM 949 NE2 GLN A 38 27.039 3.695 -9.176 1.00 0.00 N ATOM 0 H GLN A 38 25.896 -0.889 -12.484 1.00 0.00 H new ATOM 0 HA GLN A 38 23.761 0.425 -10.824 1.00 0.00 H new ATOM 0 HB2 GLN A 38 26.192 0.079 -9.859 1.00 0.00 H new ATOM 0 HB3 GLN A 38 26.655 1.335 -10.991 1.00 0.00 H new ATOM 0 HG2 GLN A 38 24.732 2.761 -10.021 1.00 0.00 H new ATOM 0 HG3 GLN A 38 24.567 1.548 -8.767 1.00 0.00 H new ATOM 0 HE21 GLN A 38 26.732 4.097 -10.062 1.00 0.00 H new ATOM 0 HE22 GLN A 38 27.813 4.119 -8.665 1.00 0.00 H new ATOM 950 N ILE A 39 23.576 2.376 -12.451 1.00 0.00 N ATOM 951 CA ILE A 39 23.409 3.386 -13.534 1.00 0.00 C ATOM 952 C ILE A 39 23.958 4.738 -13.054 1.00 0.00 C ATOM 953 O ILE A 39 23.566 5.237 -12.000 1.00 0.00 O ATOM 954 CB ILE A 39 21.924 3.526 -13.875 1.00 0.00 C ATOM 955 CG1 ILE A 39 21.357 2.154 -14.243 1.00 0.00 C ATOM 956 CG2 ILE A 39 21.759 4.478 -15.060 1.00 0.00 C ATOM 957 CD1 ILE A 39 19.829 2.210 -14.217 1.00 0.00 C ATOM 0 H ILE A 39 22.885 2.423 -11.702 1.00 0.00 H new ATOM 0 HA ILE A 39 23.954 3.066 -14.422 1.00 0.00 H new ATOM 0 HB ILE A 39 21.389 3.924 -13.013 1.00 0.00 H new ATOM 0 HG12 ILE A 39 21.704 1.859 -15.233 1.00 0.00 H new ATOM 0 HG13 ILE A 39 21.716 1.400 -13.542 1.00 0.00 H new ATOM 0 HG21 ILE A 39 20.701 4.577 -15.302 1.00 0.00 H new ATOM 0 HG22 ILE A 39 22.165 5.456 -14.801 1.00 0.00 H new ATOM 0 HG23 ILE A 39 22.293 4.081 -15.923 1.00 0.00 H new ATOM 0 HD11 ILE A 39 19.425 1.232 -14.479 1.00 0.00 H new ATOM 0 HD12 ILE A 39 19.492 2.486 -13.218 1.00 0.00 H new ATOM 0 HD13 ILE A 39 19.480 2.952 -14.935 1.00 0.00 H new ATOM 958 N LEU A 40 24.859 5.344 -13.798 1.00 0.00 N ATOM 959 CA LEU A 40 25.420 6.661 -13.358 1.00 0.00 C ATOM 960 C LEU A 40 24.409 7.777 -13.663 1.00 0.00 C ATOM 961 O LEU A 40 24.222 8.690 -12.859 1.00 0.00 O ATOM 962 CB LEU A 40 26.741 6.948 -14.091 1.00 0.00 C ATOM 963 CG LEU A 40 27.786 7.463 -13.097 1.00 0.00 C ATOM 964 CD1 LEU A 40 28.126 6.357 -12.091 1.00 0.00 C ATOM 965 CD2 LEU A 40 29.054 7.876 -13.854 1.00 0.00 C ATOM 0 H LEU A 40 25.225 4.986 -14.680 1.00 0.00 H new ATOM 0 HA LEU A 40 25.612 6.624 -12.286 1.00 0.00 H new ATOM 0 HB2 LEU A 40 27.103 6.041 -14.576 1.00 0.00 H new ATOM 0 HB3 LEU A 40 26.578 7.686 -14.877 1.00 0.00 H new ATOM 0 HG LEU A 40 27.385 8.326 -12.565 1.00 0.00 H new ATOM 0 HD11 LEU A 40 28.870 6.724 -11.384 1.00 0.00 H new ATOM 0 HD12 LEU A 40 27.225 6.066 -11.551 1.00 0.00 H new ATOM 0 HD13 LEU A 40 28.526 5.493 -12.622 1.00 0.00 H new ATOM 0 HD21 LEU A 40 29.797 8.242 -13.146 1.00 0.00 H new ATOM 0 HD22 LEU A 40 29.455 7.015 -14.388 1.00 0.00 H new ATOM 0 HD23 LEU A 40 28.812 8.665 -14.566 1.00 0.00 H new ATOM 966 N ASP A 41 23.753 7.730 -14.801 1.00 0.00 N ATOM 967 CA ASP A 41 22.760 8.802 -15.130 1.00 0.00 C ATOM 968 C ASP A 41 22.010 8.456 -16.428 1.00 0.00 C ATOM 969 O ASP A 41 22.596 7.928 -17.371 1.00 0.00 O ATOM 970 CB ASP A 41 23.492 10.135 -15.307 1.00 0.00 C ATOM 971 CG ASP A 41 23.358 10.967 -14.031 1.00 0.00 C ATOM 972 OD1 ASP A 41 22.241 11.322 -13.692 1.00 0.00 O ATOM 973 OD2 ASP A 41 24.376 11.237 -13.413 1.00 0.00 O ATOM 0 H ASP A 41 23.861 7.003 -15.508 1.00 0.00 H new ATOM 0 HA ASP A 41 22.040 8.879 -14.315 1.00 0.00 H new ATOM 0 HB2 ASP A 41 24.544 9.957 -15.528 1.00 0.00 H new ATOM 0 HB3 ASP A 41 23.076 10.680 -16.154 1.00 0.00 H new ATOM 974 N ILE A 42 20.727 8.743 -16.501 1.00 0.00 N ATOM 975 CA ILE A 42 19.961 8.426 -17.741 1.00 0.00 C ATOM 976 C ILE A 42 19.513 9.732 -18.413 1.00 0.00 C ATOM 977 O ILE A 42 18.922 10.598 -17.769 1.00 0.00 O ATOM 978 CB ILE A 42 18.732 7.589 -17.381 1.00 0.00 C ATOM 979 CG1 ILE A 42 19.175 6.332 -16.627 1.00 0.00 C ATOM 980 CG2 ILE A 42 17.996 7.182 -18.659 1.00 0.00 C ATOM 981 CD1 ILE A 42 17.988 5.757 -15.852 1.00 0.00 C ATOM 0 H ILE A 42 20.185 9.181 -15.756 1.00 0.00 H new ATOM 0 HA ILE A 42 20.595 7.864 -18.427 1.00 0.00 H new ATOM 0 HB ILE A 42 18.065 8.177 -16.751 1.00 0.00 H new ATOM 0 HG12 ILE A 42 19.559 5.591 -17.328 1.00 0.00 H new ATOM 0 HG13 ILE A 42 19.988 6.573 -15.942 1.00 0.00 H new ATOM 0 HG21 ILE A 42 17.121 6.586 -18.401 1.00 0.00 H new ATOM 0 HG22 ILE A 42 17.680 8.076 -19.197 1.00 0.00 H new ATOM 0 HG23 ILE A 42 18.662 6.594 -19.291 1.00 0.00 H new ATOM 0 HD11 ILE A 42 18.303 4.862 -15.315 1.00 0.00 H new ATOM 0 HD12 ILE A 42 17.625 6.498 -15.140 1.00 0.00 H new ATOM 0 HD13 ILE A 42 17.189 5.500 -16.548 1.00 0.00 H new ATOM 982 N LEU A 43 19.779 9.899 -19.691 1.00 0.00 N ATOM 983 CA LEU A 43 19.361 11.156 -20.378 1.00 0.00 C ATOM 984 C LEU A 43 18.073 10.904 -21.177 1.00 0.00 C ATOM 985 O LEU A 43 18.004 9.980 -21.986 1.00 0.00 O ATOM 986 CB LEU A 43 20.466 11.612 -21.333 1.00 0.00 C ATOM 987 CG LEU A 43 21.640 12.178 -20.528 1.00 0.00 C ATOM 988 CD1 LEU A 43 22.700 11.092 -20.338 1.00 0.00 C ATOM 989 CD2 LEU A 43 22.254 13.360 -21.282 1.00 0.00 C ATOM 0 H LEU A 43 20.264 9.222 -20.279 1.00 0.00 H new ATOM 0 HA LEU A 43 19.182 11.930 -19.631 1.00 0.00 H new ATOM 0 HB2 LEU A 43 20.801 10.774 -21.944 1.00 0.00 H new ATOM 0 HB3 LEU A 43 20.081 12.370 -22.015 1.00 0.00 H new ATOM 0 HG LEU A 43 21.283 12.513 -19.554 1.00 0.00 H new ATOM 0 HD11 LEU A 43 23.535 11.495 -19.765 1.00 0.00 H new ATOM 0 HD12 LEU A 43 22.265 10.249 -19.801 1.00 0.00 H new ATOM 0 HD13 LEU A 43 23.056 10.757 -21.312 1.00 0.00 H new ATOM 0 HD21 LEU A 43 23.089 13.763 -20.709 1.00 0.00 H new ATOM 0 HD22 LEU A 43 22.610 13.025 -22.256 1.00 0.00 H new ATOM 0 HD23 LEU A 43 21.500 14.136 -21.419 1.00 0.00 H new ATOM 990 N VAL A 44 17.053 11.712 -20.979 1.00 0.00 N ATOM 991 CA VAL A 44 15.786 11.515 -21.740 1.00 0.00 C ATOM 992 C VAL A 44 15.403 12.836 -22.422 1.00 0.00 C ATOM 993 O VAL A 44 15.453 13.899 -21.803 1.00 0.00 O ATOM 994 CB VAL A 44 14.667 11.081 -20.786 1.00 0.00 C ATOM 995 CG1 VAL A 44 14.960 9.674 -20.260 1.00 0.00 C ATOM 996 CG2 VAL A 44 14.585 12.056 -19.608 1.00 0.00 C ATOM 0 H VAL A 44 17.049 12.494 -20.325 1.00 0.00 H new ATOM 0 HA VAL A 44 15.928 10.739 -22.493 1.00 0.00 H new ATOM 0 HB VAL A 44 13.718 11.081 -21.323 1.00 0.00 H new ATOM 0 HG11 VAL A 44 14.164 9.366 -19.582 1.00 0.00 H new ATOM 0 HG12 VAL A 44 15.014 8.977 -21.096 1.00 0.00 H new ATOM 0 HG13 VAL A 44 15.911 9.676 -19.727 1.00 0.00 H new ATOM 0 HG21 VAL A 44 13.789 11.744 -18.932 1.00 0.00 H new ATOM 0 HG22 VAL A 44 15.534 12.060 -19.072 1.00 0.00 H new ATOM 0 HG23 VAL A 44 14.374 13.059 -19.980 1.00 0.00 H new ATOM 997 N SER A 45 15.029 12.804 -23.683 1.00 0.00 N ATOM 998 CA SER A 45 14.660 14.070 -24.379 1.00 0.00 C ATOM 999 C SER A 45 13.291 13.912 -25.057 1.00 0.00 C ATOM 1000 O SER A 45 12.807 12.798 -25.248 1.00 0.00 O ATOM 1001 CB SER A 45 15.715 14.394 -25.437 1.00 0.00 C ATOM 1002 OG SER A 45 16.304 13.185 -25.899 1.00 0.00 O ATOM 0 H SER A 45 14.965 11.960 -24.252 1.00 0.00 H new ATOM 0 HA SER A 45 14.610 14.879 -23.650 1.00 0.00 H new ATOM 0 HB2 SER A 45 15.259 14.931 -26.269 1.00 0.00 H new ATOM 0 HB3 SER A 45 16.480 15.047 -25.017 1.00 0.00 H new ATOM 0 HG SER A 45 16.919 13.382 -26.636 1.00 0.00 H new ATOM 1003 N ARG A 46 12.655 15.003 -25.430 1.00 0.00 N ATOM 1004 CA ARG A 46 11.325 14.898 -26.096 1.00 0.00 C ATOM 1005 C ARG A 46 11.274 15.855 -27.296 1.00 0.00 C ATOM 1006 O ARG A 46 10.253 16.497 -27.545 1.00 0.00 O ATOM 1007 CB ARG A 46 10.226 15.273 -25.099 1.00 0.00 C ATOM 1008 CG ARG A 46 10.161 14.220 -23.990 1.00 0.00 C ATOM 1009 CD ARG A 46 8.710 14.045 -23.535 1.00 0.00 C ATOM 1010 NE ARG A 46 8.638 12.970 -22.507 1.00 0.00 N ATOM 1011 CZ ARG A 46 8.985 11.749 -22.814 1.00 0.00 C ATOM 1012 NH1 ARG A 46 8.530 11.197 -23.906 1.00 0.00 N ATOM 1013 NH2 ARG A 46 9.786 11.082 -22.030 1.00 0.00 N ATOM 0 H ARG A 46 13.002 15.953 -25.300 1.00 0.00 H new ATOM 0 HA ARG A 46 11.172 13.875 -26.441 1.00 0.00 H new ATOM 0 HB2 ARG A 46 10.428 16.255 -24.671 1.00 0.00 H new ATOM 0 HB3 ARG A 46 9.265 15.339 -25.609 1.00 0.00 H new ATOM 0 HG2 ARG A 46 10.557 13.271 -24.352 1.00 0.00 H new ATOM 0 HG3 ARG A 46 10.783 14.524 -23.148 1.00 0.00 H new ATOM 0 HD2 ARG A 46 8.331 14.981 -23.125 1.00 0.00 H new ATOM 0 HD3 ARG A 46 8.079 13.791 -24.387 1.00 0.00 H new ATOM 0 HE ARG A 46 8.318 13.187 -21.563 1.00 0.00 H new ATOM 0 HH11 ARG A 46 7.904 11.719 -24.519 1.00 0.00 H new ATOM 0 HH12 ARG A 46 8.801 10.243 -24.146 1.00 0.00 H new ATOM 0 HH21 ARG A 46 10.141 11.514 -21.177 1.00 0.00 H new ATOM 0 HH22 ARG A 46 10.057 10.128 -22.270 1.00 0.00 H new ATOM 1014 N SER A 47 12.346 15.969 -28.053 1.00 0.00 N ATOM 1015 CA SER A 47 12.331 16.887 -29.231 1.00 0.00 C ATOM 1016 C SER A 47 11.886 16.108 -30.479 1.00 0.00 C ATOM 1017 O SER A 47 11.918 14.878 -30.494 1.00 0.00 O ATOM 1018 CB SER A 47 13.730 17.464 -29.456 1.00 0.00 C ATOM 1019 OG SER A 47 14.679 16.406 -29.465 1.00 0.00 O ATOM 0 H SER A 47 13.222 15.468 -27.903 1.00 0.00 H new ATOM 0 HA SER A 47 11.634 17.704 -29.044 1.00 0.00 H new ATOM 0 HB2 SER A 47 13.764 18.007 -30.401 1.00 0.00 H new ATOM 0 HB3 SER A 47 13.972 18.178 -28.669 1.00 0.00 H new ATOM 0 HG SER A 47 15.576 16.772 -29.611 1.00 0.00 H new ATOM 1020 N LEU A 48 11.465 16.788 -31.525 1.00 0.00 N ATOM 1021 CA LEU A 48 11.015 16.054 -32.755 1.00 0.00 C ATOM 1022 C LEU A 48 12.143 15.143 -33.266 1.00 0.00 C ATOM 1023 O LEU A 48 11.891 14.028 -33.718 1.00 0.00 O ATOM 1024 CB LEU A 48 10.633 17.047 -33.861 1.00 0.00 C ATOM 1025 CG LEU A 48 9.691 16.368 -34.857 1.00 0.00 C ATOM 1026 CD1 LEU A 48 8.665 17.385 -35.365 1.00 0.00 C ATOM 1027 CD2 LEU A 48 10.500 15.828 -36.040 1.00 0.00 C ATOM 0 H LEU A 48 11.414 17.805 -31.580 1.00 0.00 H new ATOM 0 HA LEU A 48 10.145 15.451 -32.496 1.00 0.00 H new ATOM 0 HB2 LEU A 48 10.150 17.922 -33.427 1.00 0.00 H new ATOM 0 HB3 LEU A 48 11.529 17.398 -34.373 1.00 0.00 H new ATOM 0 HG LEU A 48 9.175 15.545 -34.363 1.00 0.00 H new ATOM 0 HD11 LEU A 48 7.994 16.901 -36.075 1.00 0.00 H new ATOM 0 HD12 LEU A 48 8.088 17.770 -34.525 1.00 0.00 H new ATOM 0 HD13 LEU A 48 9.182 18.208 -35.858 1.00 0.00 H new ATOM 0 HD21 LEU A 48 9.829 15.344 -36.749 1.00 0.00 H new ATOM 0 HD22 LEU A 48 11.017 16.651 -36.533 1.00 0.00 H new ATOM 0 HD23 LEU A 48 11.231 15.104 -35.681 1.00 0.00 H new ATOM 1028 N LYS A 49 13.382 15.587 -33.213 1.00 0.00 N ATOM 1029 CA LYS A 49 14.501 14.722 -33.711 1.00 0.00 C ATOM 1030 C LYS A 49 14.807 13.613 -32.691 1.00 0.00 C ATOM 1031 O LYS A 49 15.113 12.483 -33.069 1.00 0.00 O ATOM 1032 CB LYS A 49 15.763 15.565 -33.936 1.00 0.00 C ATOM 1033 CG LYS A 49 15.499 16.602 -35.032 1.00 0.00 C ATOM 1034 CD LYS A 49 16.758 16.785 -35.881 1.00 0.00 C ATOM 1035 CE LYS A 49 16.412 17.574 -37.145 1.00 0.00 C ATOM 1036 NZ LYS A 49 17.387 17.240 -38.222 1.00 0.00 N ATOM 0 H LYS A 49 13.662 16.499 -32.851 1.00 0.00 H new ATOM 0 HA LYS A 49 14.195 14.272 -34.655 1.00 0.00 H new ATOM 0 HB2 LYS A 49 16.049 16.064 -33.010 1.00 0.00 H new ATOM 0 HB3 LYS A 49 16.596 14.922 -34.222 1.00 0.00 H new ATOM 0 HG2 LYS A 49 14.669 16.279 -35.660 1.00 0.00 H new ATOM 0 HG3 LYS A 49 15.209 17.553 -34.585 1.00 0.00 H new ATOM 0 HD2 LYS A 49 17.522 17.312 -35.309 1.00 0.00 H new ATOM 0 HD3 LYS A 49 17.173 15.813 -36.148 1.00 0.00 H new ATOM 0 HE2 LYS A 49 15.399 17.335 -37.470 1.00 0.00 H new ATOM 0 HE3 LYS A 49 16.436 18.644 -36.937 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 17.152 17.776 -39.082 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 18.347 17.489 -37.910 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 17.343 16.221 -38.427 1.00 0.00 H new ATOM 1037 N MET A 50 14.736 13.901 -31.408 1.00 0.00 N ATOM 1038 CA MET A 50 15.028 12.849 -30.394 1.00 0.00 C ATOM 1039 C MET A 50 13.710 12.359 -29.776 1.00 0.00 C ATOM 1040 O MET A 50 13.497 12.472 -28.569 1.00 0.00 O ATOM 1041 CB MET A 50 15.926 13.433 -29.297 1.00 0.00 C ATOM 1042 CG MET A 50 17.162 14.070 -29.933 1.00 0.00 C ATOM 1043 SD MET A 50 18.560 13.951 -28.788 1.00 0.00 S ATOM 1044 CE MET A 50 19.196 12.361 -29.370 1.00 0.00 C ATOM 0 H MET A 50 14.490 14.815 -31.028 1.00 0.00 H new ATOM 0 HA MET A 50 15.538 12.012 -30.871 1.00 0.00 H new ATOM 0 HB2 MET A 50 15.376 14.177 -28.721 1.00 0.00 H new ATOM 0 HB3 MET A 50 16.225 12.649 -28.602 1.00 0.00 H new ATOM 0 HG2 MET A 50 17.402 13.567 -30.870 1.00 0.00 H new ATOM 0 HG3 MET A 50 16.963 15.114 -30.173 1.00 0.00 H new ATOM 0 HE1 MET A 50 20.162 12.163 -28.905 1.00 0.00 H new ATOM 0 HE2 MET A 50 18.496 11.569 -29.103 1.00 0.00 H new ATOM 0 HE3 MET A 50 19.314 12.391 -30.453 1.00 0.00 H new ATOM 1045 N ARG A 51 12.816 11.816 -30.575 1.00 0.00 N ATOM 1046 CA ARG A 51 11.522 11.330 -30.018 1.00 0.00 C ATOM 1047 C ARG A 51 11.488 9.794 -30.060 1.00 0.00 C ATOM 1048 O ARG A 51 11.931 9.179 -31.029 1.00 0.00 O ATOM 1049 CB ARG A 51 10.364 11.893 -30.854 1.00 0.00 C ATOM 1050 CG ARG A 51 9.589 12.931 -30.037 1.00 0.00 C ATOM 1051 CD ARG A 51 8.580 13.642 -30.942 1.00 0.00 C ATOM 1052 NE ARG A 51 8.105 14.887 -30.274 1.00 0.00 N ATOM 1053 CZ ARG A 51 7.236 14.815 -29.302 1.00 0.00 C ATOM 1054 NH1 ARG A 51 7.635 14.553 -28.088 1.00 0.00 N ATOM 1055 NH2 ARG A 51 5.968 15.007 -29.546 1.00 0.00 N ATOM 0 H ARG A 51 12.931 11.692 -31.581 1.00 0.00 H new ATOM 0 HA ARG A 51 11.422 11.665 -28.986 1.00 0.00 H new ATOM 0 HB2 ARG A 51 10.750 12.349 -31.766 1.00 0.00 H new ATOM 0 HB3 ARG A 51 9.698 11.086 -31.159 1.00 0.00 H new ATOM 0 HG2 ARG A 51 9.072 12.446 -29.209 1.00 0.00 H new ATOM 0 HG3 ARG A 51 10.278 13.656 -29.602 1.00 0.00 H new ATOM 0 HD2 ARG A 51 9.041 13.884 -31.900 1.00 0.00 H new ATOM 0 HD3 ARG A 51 7.736 12.984 -31.151 1.00 0.00 H new ATOM 0 HE ARG A 51 8.459 15.795 -30.576 1.00 0.00 H new ATOM 0 HH11 ARG A 51 8.626 14.404 -27.898 1.00 0.00 H new ATOM 0 HH12 ARG A 51 6.956 14.497 -27.329 1.00 0.00 H new ATOM 0 HH21 ARG A 51 5.657 15.213 -30.495 1.00 0.00 H new ATOM 0 HH22 ARG A 51 5.288 14.951 -28.787 1.00 0.00 H new ATOM 1056 N GLY A 52 10.969 9.159 -29.033 1.00 0.00 N ATOM 1057 CA GLY A 52 10.905 7.668 -29.027 1.00 0.00 C ATOM 1058 C GLY A 52 12.321 7.076 -28.914 1.00 0.00 C ATOM 1059 O GLY A 52 12.622 6.053 -29.528 1.00 0.00 O ATOM 0 H GLY A 52 10.589 9.612 -28.202 1.00 0.00 H new ATOM 0 HA2 GLY A 52 10.292 7.326 -28.193 1.00 0.00 H new ATOM 0 HA3 GLY A 52 10.426 7.314 -29.940 1.00 0.00 H new ATOM 1060 N GLN A 53 13.198 7.686 -28.143 1.00 0.00 N ATOM 1061 CA GLN A 53 14.586 7.134 -28.010 1.00 0.00 C ATOM 1062 C GLN A 53 15.304 7.791 -26.816 1.00 0.00 C ATOM 1063 O GLN A 53 15.133 8.981 -26.560 1.00 0.00 O ATOM 1064 CB GLN A 53 15.369 7.421 -29.293 1.00 0.00 C ATOM 1065 CG GLN A 53 15.371 8.926 -29.567 1.00 0.00 C ATOM 1066 CD GLN A 53 15.576 9.173 -31.067 1.00 0.00 C ATOM 1067 OE1 GLN A 53 14.795 8.697 -31.888 1.00 0.00 O ATOM 1068 NE2 GLN A 53 16.590 9.896 -31.477 1.00 0.00 N ATOM 0 H GLN A 53 13.013 8.533 -27.606 1.00 0.00 H new ATOM 0 HA GLN A 53 14.529 6.058 -27.844 1.00 0.00 H new ATOM 0 HB2 GLN A 53 16.392 7.057 -29.196 1.00 0.00 H new ATOM 0 HB3 GLN A 53 14.920 6.889 -30.132 1.00 0.00 H new ATOM 0 HG2 GLN A 53 14.429 9.367 -29.240 1.00 0.00 H new ATOM 0 HG3 GLN A 53 16.164 9.409 -28.996 1.00 0.00 H new ATOM 0 HE21 GLN A 53 17.241 10.293 -30.799 1.00 0.00 H new ATOM 0 HE22 GLN A 53 16.728 10.062 -32.474 1.00 0.00 H new ATOM 1069 N ALA A 54 16.101 7.046 -26.077 1.00 0.00 N ATOM 1070 CA ALA A 54 16.810 7.651 -24.910 1.00 0.00 C ATOM 1071 C ALA A 54 18.234 7.076 -24.807 1.00 0.00 C ATOM 1072 O ALA A 54 18.693 6.370 -25.702 1.00 0.00 O ATOM 1073 CB ALA A 54 16.038 7.333 -23.627 1.00 0.00 C ATOM 0 H ALA A 54 16.286 6.055 -26.234 1.00 0.00 H new ATOM 0 HA ALA A 54 16.869 8.731 -25.045 1.00 0.00 H new ATOM 0 HB1 ALA A 54 16.553 7.773 -22.774 1.00 0.00 H new ATOM 0 HB2 ALA A 54 15.032 7.746 -23.696 1.00 0.00 H new ATOM 0 HB3 ALA A 54 15.978 6.252 -23.497 1.00 0.00 H new ATOM 1074 N PHE A 55 18.944 7.363 -23.736 1.00 0.00 N ATOM 1075 CA PHE A 55 20.331 6.828 -23.590 1.00 0.00 C ATOM 1076 C PHE A 55 20.561 6.410 -22.129 1.00 0.00 C ATOM 1077 O PHE A 55 20.094 7.078 -21.209 1.00 0.00 O ATOM 1078 CB PHE A 55 21.345 7.913 -23.960 1.00 0.00 C ATOM 1079 CG PHE A 55 21.041 8.459 -25.335 1.00 0.00 C ATOM 1080 CD1 PHE A 55 19.977 9.352 -25.516 1.00 0.00 C ATOM 1081 CD2 PHE A 55 21.828 8.078 -26.428 1.00 0.00 C ATOM 1082 CE1 PHE A 55 19.701 9.862 -26.790 1.00 0.00 C ATOM 1083 CE2 PHE A 55 21.552 8.589 -27.702 1.00 0.00 C ATOM 1084 CZ PHE A 55 20.488 9.480 -27.883 1.00 0.00 C ATOM 0 H PHE A 55 18.620 7.943 -22.962 1.00 0.00 H new ATOM 0 HA PHE A 55 20.457 5.970 -24.250 1.00 0.00 H new ATOM 0 HB2 PHE A 55 21.313 8.718 -23.225 1.00 0.00 H new ATOM 0 HB3 PHE A 55 22.354 7.501 -23.938 1.00 0.00 H new ATOM 0 HD1 PHE A 55 19.370 9.647 -24.673 1.00 0.00 H new ATOM 0 HD2 PHE A 55 22.648 7.390 -26.289 1.00 0.00 H new ATOM 0 HE1 PHE A 55 18.881 10.550 -26.930 1.00 0.00 H new ATOM 0 HE2 PHE A 55 22.160 8.296 -28.545 1.00 0.00 H new ATOM 0 HZ PHE A 55 20.274 9.873 -28.866 1.00 0.00 H new ATOM 1085 N VAL A 56 21.274 5.328 -21.887 1.00 0.00 N ATOM 1086 CA VAL A 56 21.519 4.910 -20.469 1.00 0.00 C ATOM 1087 C VAL A 56 23.030 4.756 -20.236 1.00 0.00 C ATOM 1088 O VAL A 56 23.651 3.823 -20.738 1.00 0.00 O ATOM 1089 CB VAL A 56 20.825 3.576 -20.184 1.00 0.00 C ATOM 1090 CG1 VAL A 56 20.882 3.287 -18.682 1.00 0.00 C ATOM 1091 CG2 VAL A 56 19.363 3.646 -20.631 1.00 0.00 C ATOM 0 H VAL A 56 21.689 4.728 -22.599 1.00 0.00 H new ATOM 0 HA VAL A 56 21.117 5.671 -19.801 1.00 0.00 H new ATOM 0 HB VAL A 56 21.332 2.782 -20.732 1.00 0.00 H new ATOM 0 HG11 VAL A 56 20.388 2.337 -18.475 1.00 0.00 H new ATOM 0 HG12 VAL A 56 21.922 3.233 -18.361 1.00 0.00 H new ATOM 0 HG13 VAL A 56 20.376 4.085 -18.139 1.00 0.00 H new ATOM 0 HG21 VAL A 56 18.874 2.694 -20.426 1.00 0.00 H new ATOM 0 HG22 VAL A 56 18.854 4.441 -20.086 1.00 0.00 H new ATOM 0 HG23 VAL A 56 19.319 3.854 -21.700 1.00 0.00 H new ATOM 1092 N ILE A 57 23.638 5.645 -19.480 1.00 0.00 N ATOM 1093 CA ILE A 57 25.107 5.525 -19.233 1.00 0.00 C ATOM 1094 C ILE A 57 25.349 4.672 -17.983 1.00 0.00 C ATOM 1095 O ILE A 57 24.705 4.869 -16.953 1.00 0.00 O ATOM 1096 CB ILE A 57 25.718 6.913 -19.021 1.00 0.00 C ATOM 1097 CG1 ILE A 57 25.358 7.820 -20.199 1.00 0.00 C ATOM 1098 CG2 ILE A 57 27.240 6.789 -18.925 1.00 0.00 C ATOM 1099 CD1 ILE A 57 25.436 9.282 -19.755 1.00 0.00 C ATOM 0 H ILE A 57 23.183 6.439 -19.030 1.00 0.00 H new ATOM 0 HA ILE A 57 25.574 5.053 -20.098 1.00 0.00 H new ATOM 0 HB ILE A 57 25.325 7.343 -18.099 1.00 0.00 H new ATOM 0 HG12 ILE A 57 26.041 7.644 -21.030 1.00 0.00 H new ATOM 0 HG13 ILE A 57 24.354 7.590 -20.556 1.00 0.00 H new ATOM 0 HG21 ILE A 57 27.677 7.776 -18.774 1.00 0.00 H new ATOM 0 HG22 ILE A 57 27.500 6.145 -18.085 1.00 0.00 H new ATOM 0 HG23 ILE A 57 27.629 6.357 -19.847 1.00 0.00 H new ATOM 0 HD11 ILE A 57 25.180 9.931 -20.593 1.00 0.00 H new ATOM 0 HD12 ILE A 57 24.736 9.452 -18.937 1.00 0.00 H new ATOM 0 HD13 ILE A 57 26.448 9.507 -19.418 1.00 0.00 H new ATOM 1100 N PHE A 58 26.265 3.731 -18.042 1.00 0.00 N ATOM 1101 CA PHE A 58 26.535 2.885 -16.848 1.00 0.00 C ATOM 1102 C PHE A 58 27.944 3.188 -16.325 1.00 0.00 C ATOM 1103 O PHE A 58 28.885 3.326 -17.104 1.00 0.00 O ATOM 1104 CB PHE A 58 26.442 1.408 -17.232 1.00 0.00 C ATOM 1105 CG PHE A 58 25.011 1.065 -17.561 1.00 0.00 C ATOM 1106 CD1 PHE A 58 24.503 1.336 -18.836 1.00 0.00 C ATOM 1107 CD2 PHE A 58 24.191 0.474 -16.592 1.00 0.00 C ATOM 1108 CE1 PHE A 58 23.176 1.018 -19.143 1.00 0.00 C ATOM 1109 CE2 PHE A 58 22.863 0.156 -16.899 1.00 0.00 C ATOM 1110 CZ PHE A 58 22.356 0.428 -18.175 1.00 0.00 C ATOM 0 H PHE A 58 26.831 3.518 -18.864 1.00 0.00 H new ATOM 0 HA PHE A 58 25.799 3.102 -16.074 1.00 0.00 H new ATOM 0 HB2 PHE A 58 27.083 1.203 -18.089 1.00 0.00 H new ATOM 0 HB3 PHE A 58 26.798 0.785 -16.412 1.00 0.00 H new ATOM 0 HD1 PHE A 58 25.136 1.791 -19.584 1.00 0.00 H new ATOM 0 HD2 PHE A 58 24.583 0.264 -15.608 1.00 0.00 H new ATOM 0 HE1 PHE A 58 22.784 1.228 -20.127 1.00 0.00 H new ATOM 0 HE2 PHE A 58 22.230 -0.299 -16.152 1.00 0.00 H new ATOM 0 HZ PHE A 58 21.331 0.182 -18.412 1.00 0.00 H new ATOM 1111 N LYS A 59 28.117 3.297 -15.023 1.00 0.00 N ATOM 1112 CA LYS A 59 29.484 3.593 -14.469 1.00 0.00 C ATOM 1113 C LYS A 59 30.519 2.634 -15.086 1.00 0.00 C ATOM 1114 O LYS A 59 31.645 3.031 -15.382 1.00 0.00 O ATOM 1115 CB LYS A 59 29.487 3.419 -12.944 1.00 0.00 C ATOM 1116 CG LYS A 59 30.755 4.049 -12.362 1.00 0.00 C ATOM 1117 CD LYS A 59 30.649 4.095 -10.836 1.00 0.00 C ATOM 1118 CE LYS A 59 31.324 2.860 -10.239 1.00 0.00 C ATOM 1119 NZ LYS A 59 30.746 1.631 -10.852 1.00 0.00 N ATOM 0 H LYS A 59 27.379 3.195 -14.327 1.00 0.00 H new ATOM 0 HA LYS A 59 29.743 4.622 -14.717 1.00 0.00 H new ATOM 0 HB2 LYS A 59 28.603 3.888 -12.512 1.00 0.00 H new ATOM 0 HB3 LYS A 59 29.443 2.360 -12.688 1.00 0.00 H new ATOM 0 HG2 LYS A 59 31.630 3.471 -12.659 1.00 0.00 H new ATOM 0 HG3 LYS A 59 30.888 5.056 -12.758 1.00 0.00 H new ATOM 0 HD2 LYS A 59 31.122 5.000 -10.455 1.00 0.00 H new ATOM 0 HD3 LYS A 59 29.602 4.131 -10.535 1.00 0.00 H new ATOM 0 HE2 LYS A 59 32.398 2.898 -10.418 1.00 0.00 H new ATOM 0 HE3 LYS A 59 31.182 2.841 -9.158 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 31.051 0.797 -10.311 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 29.708 1.692 -10.839 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 31.075 1.545 -11.835 1.00 0.00 H new ATOM 1120 N GLU A 60 30.165 1.382 -15.292 1.00 0.00 N ATOM 1121 CA GLU A 60 31.131 0.425 -15.893 1.00 0.00 C ATOM 1122 C GLU A 60 30.639 0.014 -17.289 1.00 0.00 C ATOM 1123 O GLU A 60 29.440 0.039 -17.565 1.00 0.00 O ATOM 1124 CB GLU A 60 31.242 -0.816 -15.004 1.00 0.00 C ATOM 1125 CG GLU A 60 32.427 -0.658 -14.049 1.00 0.00 C ATOM 1126 CD GLU A 60 33.680 -1.265 -14.685 1.00 0.00 C ATOM 1127 OE1 GLU A 60 33.739 -2.479 -14.785 1.00 0.00 O ATOM 1128 OE2 GLU A 60 34.557 -0.505 -15.059 1.00 0.00 O ATOM 0 H GLU A 60 29.250 0.992 -15.068 1.00 0.00 H new ATOM 0 HA GLU A 60 32.109 0.899 -15.976 1.00 0.00 H new ATOM 0 HB2 GLU A 60 30.321 -0.954 -14.437 1.00 0.00 H new ATOM 0 HB3 GLU A 60 31.374 -1.706 -15.619 1.00 0.00 H new ATOM 0 HG2 GLU A 60 32.592 0.397 -13.829 1.00 0.00 H new ATOM 0 HG3 GLU A 60 32.212 -1.151 -13.101 1.00 0.00 H new ATOM 1129 N VAL A 61 31.531 -0.368 -18.179 1.00 0.00 N ATOM 1130 CA VAL A 61 31.084 -0.780 -19.550 1.00 0.00 C ATOM 1131 C VAL A 61 30.432 -2.170 -19.488 1.00 0.00 C ATOM 1132 O VAL A 61 29.460 -2.437 -20.192 1.00 0.00 O ATOM 1133 CB VAL A 61 32.279 -0.821 -20.513 1.00 0.00 C ATOM 1134 CG1 VAL A 61 31.789 -1.140 -21.927 1.00 0.00 C ATOM 1135 CG2 VAL A 61 32.978 0.542 -20.513 1.00 0.00 C ATOM 0 H VAL A 61 32.537 -0.412 -18.016 1.00 0.00 H new ATOM 0 HA VAL A 61 30.360 -0.051 -19.913 1.00 0.00 H new ATOM 0 HB VAL A 61 32.978 -1.592 -20.190 1.00 0.00 H new ATOM 0 HG11 VAL A 61 32.639 -1.169 -22.609 1.00 0.00 H new ATOM 0 HG12 VAL A 61 31.289 -2.109 -21.929 1.00 0.00 H new ATOM 0 HG13 VAL A 61 31.089 -0.370 -22.252 1.00 0.00 H new ATOM 0 HG21 VAL A 61 33.827 0.515 -21.196 1.00 0.00 H new ATOM 0 HG22 VAL A 61 32.276 1.311 -20.836 1.00 0.00 H new ATOM 0 HG23 VAL A 61 33.329 0.771 -19.507 1.00 0.00 H new ATOM 1136 N SER A 62 30.941 -3.064 -18.670 1.00 0.00 N ATOM 1137 CA SER A 62 30.329 -4.432 -18.587 1.00 0.00 C ATOM 1138 C SER A 62 28.859 -4.339 -18.130 1.00 0.00 C ATOM 1139 O SER A 62 28.046 -5.185 -18.489 1.00 0.00 O ATOM 1140 CB SER A 62 31.106 -5.305 -17.593 1.00 0.00 C ATOM 1141 OG SER A 62 31.342 -4.566 -16.403 1.00 0.00 O ATOM 0 H SER A 62 31.745 -2.908 -18.062 1.00 0.00 H new ATOM 0 HA SER A 62 30.373 -4.881 -19.579 1.00 0.00 H new ATOM 0 HB2 SER A 62 30.541 -6.209 -17.367 1.00 0.00 H new ATOM 0 HB3 SER A 62 32.052 -5.621 -18.032 1.00 0.00 H new ATOM 0 HG SER A 62 31.837 -5.122 -15.765 1.00 0.00 H new ATOM 1142 N SER A 63 28.494 -3.346 -17.340 1.00 0.00 N ATOM 1143 CA SER A 63 27.066 -3.250 -16.880 1.00 0.00 C ATOM 1144 C SER A 63 26.133 -2.970 -18.073 1.00 0.00 C ATOM 1145 O SER A 63 25.004 -3.461 -18.112 1.00 0.00 O ATOM 1146 CB SER A 63 26.911 -2.124 -15.850 1.00 0.00 C ATOM 1147 OG SER A 63 28.106 -2.018 -15.087 1.00 0.00 O ATOM 0 H SER A 63 29.114 -2.610 -17.000 1.00 0.00 H new ATOM 0 HA SER A 63 26.795 -4.202 -16.423 1.00 0.00 H new ATOM 0 HB2 SER A 63 26.703 -1.180 -16.354 1.00 0.00 H new ATOM 0 HB3 SER A 63 26.064 -2.329 -15.195 1.00 0.00 H new ATOM 0 HG SER A 63 28.011 -1.298 -14.429 1.00 0.00 H new ATOM 1148 N ALA A 64 26.568 -2.203 -19.052 1.00 0.00 N ATOM 1149 CA ALA A 64 25.681 -1.920 -20.225 1.00 0.00 C ATOM 1150 C ALA A 64 25.645 -3.143 -21.153 1.00 0.00 C ATOM 1151 O ALA A 64 24.645 -3.384 -21.827 1.00 0.00 O ATOM 1152 CB ALA A 64 26.198 -0.703 -21.008 1.00 0.00 C ATOM 0 H ALA A 64 27.489 -1.767 -19.087 1.00 0.00 H new ATOM 0 HA ALA A 64 24.677 -1.706 -19.858 1.00 0.00 H new ATOM 0 HB1 ALA A 64 25.542 -0.511 -21.857 1.00 0.00 H new ATOM 0 HB2 ALA A 64 26.212 0.170 -20.356 1.00 0.00 H new ATOM 0 HB3 ALA A 64 27.207 -0.904 -21.367 1.00 0.00 H new ATOM 1153 N THR A 65 26.707 -3.922 -21.212 1.00 0.00 N ATOM 1154 CA THR A 65 26.692 -5.115 -22.112 1.00 0.00 C ATOM 1155 C THR A 65 25.733 -6.188 -21.563 1.00 0.00 C ATOM 1156 O THR A 65 25.132 -6.933 -22.334 1.00 0.00 O ATOM 1157 CB THR A 65 28.102 -5.711 -22.242 1.00 0.00 C ATOM 1158 OG1 THR A 65 29.007 -4.695 -22.658 1.00 0.00 O ATOM 1159 CG2 THR A 65 28.094 -6.839 -23.278 1.00 0.00 C ATOM 0 H THR A 65 27.568 -3.782 -20.683 1.00 0.00 H new ATOM 0 HA THR A 65 26.349 -4.793 -23.095 1.00 0.00 H new ATOM 0 HB THR A 65 28.415 -6.110 -21.277 1.00 0.00 H new ATOM 0 HG1 THR A 65 29.908 -5.073 -22.740 1.00 0.00 H new ATOM 0 HG21 THR A 65 29.096 -7.259 -23.367 1.00 0.00 H new ATOM 0 HG22 THR A 65 27.401 -7.619 -22.962 1.00 0.00 H new ATOM 0 HG23 THR A 65 27.779 -6.444 -24.244 1.00 0.00 H new ATOM 1160 N ASN A 66 25.567 -6.290 -20.260 1.00 0.00 N ATOM 1161 CA ASN A 66 24.635 -7.324 -19.711 1.00 0.00 C ATOM 1162 C ASN A 66 23.187 -6.830 -19.850 1.00 0.00 C ATOM 1163 O ASN A 66 22.288 -7.609 -20.159 1.00 0.00 O ATOM 1164 CB ASN A 66 24.944 -7.585 -18.231 1.00 0.00 C ATOM 1165 CG ASN A 66 26.435 -7.905 -18.067 1.00 0.00 C ATOM 1166 OD1 ASN A 66 27.142 -7.277 -17.159 1.00 0.00 O flip ATOM 1167 ND2 ASN A 66 26.973 -8.747 -18.782 1.00 0.00 N flip ATOM 0 H ASN A 66 26.032 -5.708 -19.564 1.00 0.00 H new ATOM 0 HA ASN A 66 24.765 -8.251 -20.269 1.00 0.00 H new ATOM 0 HB2 ASN A 66 24.681 -6.711 -17.634 1.00 0.00 H new ATOM 0 HB3 ASN A 66 24.341 -8.415 -17.864 1.00 0.00 H new ATOM 0 HD21 ASN A 66 26.428 -9.239 -19.490 1.00 0.00 H new ATOM 0 HD22 ASN A 66 27.965 -8.954 -18.668 1.00 0.00 H new ATOM 1168 N ALA A 67 22.934 -5.555 -19.634 1.00 0.00 N ATOM 1169 CA ALA A 67 21.529 -5.042 -19.769 1.00 0.00 C ATOM 1170 C ALA A 67 21.053 -5.154 -21.233 1.00 0.00 C ATOM 1171 O ALA A 67 19.858 -5.296 -21.489 1.00 0.00 O ATOM 1172 CB ALA A 67 21.457 -3.571 -19.332 1.00 0.00 C ATOM 0 H ALA A 67 23.631 -4.857 -19.374 1.00 0.00 H new ATOM 0 HA ALA A 67 20.884 -5.646 -19.131 1.00 0.00 H new ATOM 0 HB1 ALA A 67 20.433 -3.211 -19.435 1.00 0.00 H new ATOM 0 HB2 ALA A 67 21.770 -3.485 -18.291 1.00 0.00 H new ATOM 0 HB3 ALA A 67 22.117 -2.972 -19.960 1.00 0.00 H new ATOM 1173 N LEU A 68 21.945 -5.080 -22.202 1.00 0.00 N ATOM 1174 CA LEU A 68 21.507 -5.172 -23.633 1.00 0.00 C ATOM 1175 C LEU A 68 21.343 -6.645 -24.055 1.00 0.00 C ATOM 1176 O LEU A 68 20.458 -6.974 -24.844 1.00 0.00 O ATOM 1177 CB LEU A 68 22.553 -4.502 -24.536 1.00 0.00 C ATOM 1178 CG LEU A 68 21.863 -3.854 -25.743 1.00 0.00 C ATOM 1179 CD1 LEU A 68 22.467 -2.471 -26.002 1.00 0.00 C ATOM 1180 CD2 LEU A 68 22.063 -4.731 -26.984 1.00 0.00 C ATOM 0 H LEU A 68 22.948 -4.961 -22.062 1.00 0.00 H new ATOM 0 HA LEU A 68 20.548 -4.665 -23.735 1.00 0.00 H new ATOM 0 HB2 LEU A 68 23.103 -3.748 -23.973 1.00 0.00 H new ATOM 0 HB3 LEU A 68 23.280 -5.240 -24.875 1.00 0.00 H new ATOM 0 HG LEU A 68 20.798 -3.754 -25.533 1.00 0.00 H new ATOM 0 HD11 LEU A 68 21.974 -2.014 -26.860 1.00 0.00 H new ATOM 0 HD12 LEU A 68 22.324 -1.841 -25.124 1.00 0.00 H new ATOM 0 HD13 LEU A 68 23.533 -2.572 -26.207 1.00 0.00 H new ATOM 0 HD21 LEU A 68 21.572 -4.268 -27.840 1.00 0.00 H new ATOM 0 HD22 LEU A 68 23.129 -4.834 -27.189 1.00 0.00 H new ATOM 0 HD23 LEU A 68 21.631 -5.716 -26.807 1.00 0.00 H new ATOM 1181 N ARG A 69 22.175 -7.538 -23.563 1.00 0.00 N ATOM 1182 CA ARG A 69 22.048 -8.981 -23.968 1.00 0.00 C ATOM 1183 C ARG A 69 20.722 -9.569 -23.455 1.00 0.00 C ATOM 1184 O ARG A 69 20.098 -10.386 -24.130 1.00 0.00 O ATOM 1185 CB ARG A 69 23.214 -9.797 -23.391 1.00 0.00 C ATOM 1186 CG ARG A 69 24.549 -9.178 -23.828 1.00 0.00 C ATOM 1187 CD ARG A 69 25.187 -10.034 -24.923 1.00 0.00 C ATOM 1188 NE ARG A 69 25.835 -11.226 -24.305 1.00 0.00 N ATOM 1189 CZ ARG A 69 25.716 -12.400 -24.864 1.00 0.00 C ATOM 1190 NH1 ARG A 69 24.531 -12.884 -25.118 1.00 0.00 N ATOM 1191 NH2 ARG A 69 26.782 -13.088 -25.170 1.00 0.00 N ATOM 0 H ARG A 69 22.928 -7.334 -22.906 1.00 0.00 H new ATOM 0 HA ARG A 69 22.068 -9.032 -25.057 1.00 0.00 H new ATOM 0 HB2 ARG A 69 23.152 -9.818 -22.303 1.00 0.00 H new ATOM 0 HB3 ARG A 69 23.152 -10.830 -23.734 1.00 0.00 H new ATOM 0 HG2 ARG A 69 24.387 -8.165 -24.195 1.00 0.00 H new ATOM 0 HG3 ARG A 69 25.222 -9.104 -22.974 1.00 0.00 H new ATOM 0 HD2 ARG A 69 24.430 -10.349 -25.641 1.00 0.00 H new ATOM 0 HD3 ARG A 69 25.925 -9.450 -25.473 1.00 0.00 H new ATOM 0 HE ARG A 69 26.372 -11.124 -23.444 1.00 0.00 H new ATOM 0 HH11 ARG A 69 23.698 -12.345 -24.880 1.00 0.00 H new ATOM 0 HH12 ARG A 69 24.438 -13.801 -25.555 1.00 0.00 H new ATOM 0 HH21 ARG A 69 27.708 -12.709 -24.972 1.00 0.00 H new ATOM 0 HH22 ARG A 69 26.689 -14.005 -25.607 1.00 0.00 H new ATOM 1192 N SER A 70 20.281 -9.187 -22.279 1.00 0.00 N ATOM 1193 CA SER A 70 19.000 -9.748 -21.743 1.00 0.00 C ATOM 1194 C SER A 70 17.792 -8.948 -22.266 1.00 0.00 C ATOM 1195 O SER A 70 16.702 -9.499 -22.417 1.00 0.00 O ATOM 1196 CB SER A 70 19.009 -9.701 -20.211 1.00 0.00 C ATOM 1197 OG SER A 70 20.318 -9.992 -19.741 1.00 0.00 O ATOM 0 H SER A 70 20.750 -8.515 -21.671 1.00 0.00 H new ATOM 0 HA SER A 70 18.914 -10.781 -22.080 1.00 0.00 H new ATOM 0 HB2 SER A 70 18.696 -8.716 -19.864 1.00 0.00 H new ATOM 0 HB3 SER A 70 18.297 -10.422 -19.809 1.00 0.00 H new ATOM 0 HG SER A 70 20.884 -9.197 -19.836 1.00 0.00 H new ATOM 1198 N MET A 71 17.945 -7.668 -22.547 1.00 0.00 N ATOM 1199 CA MET A 71 16.784 -6.878 -23.052 1.00 0.00 C ATOM 1200 C MET A 71 16.908 -6.677 -24.571 1.00 0.00 C ATOM 1201 O MET A 71 16.544 -5.625 -25.095 1.00 0.00 O ATOM 1202 CB MET A 71 16.759 -5.514 -22.358 1.00 0.00 C ATOM 1203 CG MET A 71 16.111 -5.654 -20.979 1.00 0.00 C ATOM 1204 SD MET A 71 15.192 -4.144 -20.588 1.00 0.00 S ATOM 1205 CE MET A 71 13.614 -4.936 -20.191 1.00 0.00 C ATOM 0 H MET A 71 18.817 -7.148 -22.447 1.00 0.00 H new ATOM 0 HA MET A 71 15.862 -7.417 -22.837 1.00 0.00 H new ATOM 0 HB2 MET A 71 17.773 -5.127 -22.257 1.00 0.00 H new ATOM 0 HB3 MET A 71 16.203 -4.797 -22.962 1.00 0.00 H new ATOM 0 HG2 MET A 71 15.441 -6.514 -20.966 1.00 0.00 H new ATOM 0 HG3 MET A 71 16.875 -5.834 -20.223 1.00 0.00 H new ATOM 0 HE1 MET A 71 12.884 -4.175 -19.916 1.00 0.00 H new ATOM 0 HE2 MET A 71 13.254 -5.486 -21.060 1.00 0.00 H new ATOM 0 HE3 MET A 71 13.752 -5.624 -19.357 1.00 0.00 H new ATOM 1206 N GLN A 72 17.404 -7.659 -25.296 1.00 0.00 N ATOM 1207 CA GLN A 72 17.528 -7.495 -26.779 1.00 0.00 C ATOM 1208 C GLN A 72 16.155 -7.722 -27.426 1.00 0.00 C ATOM 1209 O GLN A 72 15.779 -8.853 -27.725 1.00 0.00 O ATOM 1210 CB GLN A 72 18.535 -8.511 -27.345 1.00 0.00 C ATOM 1211 CG GLN A 72 19.852 -7.806 -27.675 1.00 0.00 C ATOM 1212 CD GLN A 72 19.821 -7.322 -29.130 1.00 0.00 C ATOM 1213 OE1 GLN A 72 20.309 -8.009 -30.024 1.00 0.00 O ATOM 1214 NE2 GLN A 72 19.272 -6.167 -29.423 1.00 0.00 N ATOM 0 H GLN A 72 17.724 -8.555 -24.927 1.00 0.00 H new ATOM 0 HA GLN A 72 17.882 -6.488 -27.000 1.00 0.00 H new ATOM 0 HB2 GLN A 72 18.709 -9.306 -26.620 1.00 0.00 H new ATOM 0 HB3 GLN A 72 18.128 -8.980 -28.241 1.00 0.00 H new ATOM 0 HG2 GLN A 72 20.003 -6.962 -27.003 1.00 0.00 H new ATOM 0 HG3 GLN A 72 20.689 -8.487 -27.525 1.00 0.00 H new ATOM 0 HE21 GLN A 72 18.866 -5.593 -28.684 1.00 0.00 H new ATOM 0 HE22 GLN A 72 19.252 -5.843 -30.390 1.00 0.00 H new ATOM 1215 N GLY A 73 15.394 -6.672 -27.648 1.00 0.00 N ATOM 1216 CA GLY A 73 14.050 -6.848 -28.272 1.00 0.00 C ATOM 1217 C GLY A 73 13.036 -7.253 -27.193 1.00 0.00 C ATOM 1218 O GLY A 73 12.443 -8.328 -27.261 1.00 0.00 O ATOM 0 H GLY A 73 15.648 -5.710 -27.424 1.00 0.00 H new ATOM 0 HA2 GLY A 73 13.736 -5.921 -28.752 1.00 0.00 H new ATOM 0 HA3 GLY A 73 14.095 -7.611 -29.049 1.00 0.00 H new ATOM 1219 N PHE A 74 12.821 -6.421 -26.197 1.00 0.00 N ATOM 1220 CA PHE A 74 11.845 -6.778 -25.126 1.00 0.00 C ATOM 1221 C PHE A 74 10.827 -5.635 -24.960 1.00 0.00 C ATOM 1222 O PHE A 74 11.086 -4.516 -25.396 1.00 0.00 O ATOM 1223 CB PHE A 74 12.595 -6.995 -23.806 1.00 0.00 C ATOM 1224 CG PHE A 74 12.630 -8.468 -23.475 1.00 0.00 C ATOM 1225 CD1 PHE A 74 13.225 -9.371 -24.365 1.00 0.00 C ATOM 1226 CD2 PHE A 74 12.068 -8.931 -22.279 1.00 0.00 C ATOM 1227 CE1 PHE A 74 13.257 -10.737 -24.057 1.00 0.00 C ATOM 1228 CE2 PHE A 74 12.101 -10.296 -21.972 1.00 0.00 C ATOM 1229 CZ PHE A 74 12.695 -11.200 -22.862 1.00 0.00 C ATOM 0 H PHE A 74 13.279 -5.517 -26.084 1.00 0.00 H new ATOM 0 HA PHE A 74 11.320 -7.693 -25.399 1.00 0.00 H new ATOM 0 HB2 PHE A 74 13.610 -6.606 -23.886 1.00 0.00 H new ATOM 0 HB3 PHE A 74 12.105 -6.444 -23.003 1.00 0.00 H new ATOM 0 HD1 PHE A 74 13.659 -9.014 -25.288 1.00 0.00 H new ATOM 0 HD2 PHE A 74 11.609 -8.234 -21.593 1.00 0.00 H new ATOM 0 HE1 PHE A 74 13.716 -11.434 -24.743 1.00 0.00 H new ATOM 0 HE2 PHE A 74 11.668 -10.652 -21.049 1.00 0.00 H new ATOM 0 HZ PHE A 74 12.719 -12.254 -22.626 1.00 0.00 H new ATOM 1230 N PRO A 75 9.696 -5.925 -24.339 1.00 0.00 N ATOM 1231 CA PRO A 75 8.647 -4.913 -24.121 1.00 0.00 C ATOM 1232 C PRO A 75 9.025 -3.999 -22.945 1.00 0.00 C ATOM 1233 O PRO A 75 9.540 -4.461 -21.928 1.00 0.00 O ATOM 1234 CB PRO A 75 7.403 -5.743 -23.788 1.00 0.00 C ATOM 1235 CG PRO A 75 7.912 -7.111 -23.278 1.00 0.00 C ATOM 1236 CD PRO A 75 9.352 -7.267 -23.801 1.00 0.00 C ATOM 0 HA PRO A 75 8.497 -4.260 -24.981 1.00 0.00 H new ATOM 0 HB2 PRO A 75 6.797 -5.247 -23.029 1.00 0.00 H new ATOM 0 HB3 PRO A 75 6.772 -5.867 -24.668 1.00 0.00 H new ATOM 0 HG2 PRO A 75 7.889 -7.152 -22.189 1.00 0.00 H new ATOM 0 HG3 PRO A 75 7.278 -7.920 -23.641 1.00 0.00 H new ATOM 0 HD2 PRO A 75 10.034 -7.563 -23.004 1.00 0.00 H new ATOM 0 HD3 PRO A 75 9.413 -8.033 -24.574 1.00 0.00 H new ATOM 1237 N PHE A 76 8.783 -2.710 -23.057 1.00 0.00 N ATOM 1238 CA PHE A 76 9.134 -1.788 -21.940 1.00 0.00 C ATOM 1239 C PHE A 76 7.967 -0.819 -21.695 1.00 0.00 C ATOM 1240 O PHE A 76 7.392 -0.790 -20.608 1.00 0.00 O ATOM 1241 CB PHE A 76 10.393 -0.995 -22.312 1.00 0.00 C ATOM 1242 CG PHE A 76 10.750 -0.047 -21.191 1.00 0.00 C ATOM 1243 CD1 PHE A 76 11.004 -0.546 -19.907 1.00 0.00 C ATOM 1244 CD2 PHE A 76 10.823 1.329 -21.434 1.00 0.00 C ATOM 1245 CE1 PHE A 76 11.332 0.334 -18.868 1.00 0.00 C ATOM 1246 CE2 PHE A 76 11.151 2.208 -20.395 1.00 0.00 C ATOM 1247 CZ PHE A 76 11.405 1.710 -19.112 1.00 0.00 C ATOM 0 H PHE A 76 8.360 -2.265 -23.871 1.00 0.00 H new ATOM 0 HA PHE A 76 9.324 -2.364 -21.034 1.00 0.00 H new ATOM 0 HB2 PHE A 76 11.221 -1.678 -22.501 1.00 0.00 H new ATOM 0 HB3 PHE A 76 10.224 -0.437 -23.233 1.00 0.00 H new ATOM 0 HD1 PHE A 76 10.947 -1.608 -19.718 1.00 0.00 H new ATOM 0 HD2 PHE A 76 10.626 1.713 -22.424 1.00 0.00 H new ATOM 0 HE1 PHE A 76 11.529 -0.050 -17.878 1.00 0.00 H new ATOM 0 HE2 PHE A 76 11.208 3.270 -20.583 1.00 0.00 H new ATOM 0 HZ PHE A 76 11.657 2.388 -18.310 1.00 0.00 H new ATOM 1248 N TYR A 77 7.605 -0.020 -22.677 1.00 0.00 N ATOM 1249 CA TYR A 77 6.485 0.937 -22.480 1.00 0.00 C ATOM 1250 C TYR A 77 5.302 0.547 -23.380 1.00 0.00 C ATOM 1251 O TYR A 77 4.949 1.272 -24.308 1.00 0.00 O ATOM 1252 CB TYR A 77 6.963 2.352 -22.826 1.00 0.00 C ATOM 1253 CG TYR A 77 7.370 3.084 -21.561 1.00 0.00 C ATOM 1254 CD1 TYR A 77 8.141 2.439 -20.584 1.00 0.00 C ATOM 1255 CD2 TYR A 77 6.971 4.413 -21.367 1.00 0.00 C ATOM 1256 CE1 TYR A 77 8.509 3.119 -19.419 1.00 0.00 C ATOM 1257 CE2 TYR A 77 7.341 5.096 -20.196 1.00 0.00 C ATOM 1258 CZ TYR A 77 8.108 4.446 -19.223 1.00 0.00 C ATOM 1259 OH TYR A 77 8.469 5.113 -18.071 1.00 0.00 O ATOM 0 H TYR A 77 8.040 0.004 -23.599 1.00 0.00 H new ATOM 0 HA TYR A 77 6.159 0.909 -21.440 1.00 0.00 H new ATOM 0 HB2 TYR A 77 7.806 2.302 -23.515 1.00 0.00 H new ATOM 0 HB3 TYR A 77 6.169 2.899 -23.334 1.00 0.00 H new ATOM 0 HD1 TYR A 77 8.451 1.415 -20.731 1.00 0.00 H new ATOM 0 HD2 TYR A 77 6.378 4.913 -22.119 1.00 0.00 H new ATOM 0 HE1 TYR A 77 9.104 2.619 -18.669 1.00 0.00 H new ATOM 0 HE2 TYR A 77 7.034 6.121 -20.047 1.00 0.00 H new ATOM 0 HH TYR A 77 8.248 4.562 -17.291 1.00 0.00 H new ATOM 1260 N ASP A 78 4.677 -0.585 -23.126 1.00 0.00 N ATOM 1261 CA ASP A 78 3.518 -1.008 -23.967 1.00 0.00 C ATOM 1262 C ASP A 78 3.964 -1.183 -25.426 1.00 0.00 C ATOM 1263 O ASP A 78 3.259 -0.782 -26.350 1.00 0.00 O ATOM 1264 CB ASP A 78 2.418 0.057 -23.895 1.00 0.00 C ATOM 1265 CG ASP A 78 1.051 -0.624 -23.806 1.00 0.00 C ATOM 1266 OD1 ASP A 78 0.838 -1.362 -22.858 1.00 0.00 O ATOM 1267 OD2 ASP A 78 0.239 -0.396 -24.688 1.00 0.00 O ATOM 0 H ASP A 78 4.923 -1.228 -22.374 1.00 0.00 H new ATOM 0 HA ASP A 78 3.135 -1.958 -23.594 1.00 0.00 H new ATOM 0 HB2 ASP A 78 2.574 0.697 -23.027 1.00 0.00 H new ATOM 0 HB3 ASP A 78 2.460 0.698 -24.776 1.00 0.00 H new ATOM 1268 N LYS A 79 5.116 -1.778 -25.663 1.00 0.00 N ATOM 1269 CA LYS A 79 5.577 -1.970 -27.078 1.00 0.00 C ATOM 1270 C LYS A 79 6.963 -2.650 -27.100 1.00 0.00 C ATOM 1271 O LYS A 79 7.718 -2.532 -26.137 1.00 0.00 O ATOM 1272 CB LYS A 79 5.670 -0.605 -27.777 1.00 0.00 C ATOM 1273 CG LYS A 79 4.559 -0.479 -28.824 1.00 0.00 C ATOM 1274 CD LYS A 79 4.155 0.990 -28.968 1.00 0.00 C ATOM 1275 CE LYS A 79 4.940 1.625 -30.117 1.00 0.00 C ATOM 1276 NZ LYS A 79 5.142 3.076 -29.839 1.00 0.00 N ATOM 0 H LYS A 79 5.748 -2.134 -24.946 1.00 0.00 H new ATOM 0 HA LYS A 79 4.860 -2.604 -27.600 1.00 0.00 H new ATOM 0 HB2 LYS A 79 5.582 0.196 -27.043 1.00 0.00 H new ATOM 0 HB3 LYS A 79 6.644 -0.496 -28.253 1.00 0.00 H new ATOM 0 HG2 LYS A 79 4.903 -0.868 -29.782 1.00 0.00 H new ATOM 0 HG3 LYS A 79 3.697 -1.077 -28.528 1.00 0.00 H new ATOM 0 HD2 LYS A 79 3.085 1.067 -29.159 1.00 0.00 H new ATOM 0 HD3 LYS A 79 4.352 1.525 -28.039 1.00 0.00 H new ATOM 0 HE2 LYS A 79 5.903 1.128 -30.232 1.00 0.00 H new ATOM 0 HE3 LYS A 79 4.401 1.495 -31.055 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 5.122 3.607 -30.733 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 4.383 3.419 -29.216 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 6.062 3.216 -29.374 1.00 0.00 H new ATOM 1277 N PRO A 80 7.278 -3.338 -28.186 1.00 0.00 N ATOM 1278 CA PRO A 80 8.574 -4.024 -28.325 1.00 0.00 C ATOM 1279 C PRO A 80 9.671 -3.008 -28.673 1.00 0.00 C ATOM 1280 O PRO A 80 9.407 -2.002 -29.331 1.00 0.00 O ATOM 1281 CB PRO A 80 8.349 -5.004 -29.478 1.00 0.00 C ATOM 1282 CG PRO A 80 7.161 -4.447 -30.299 1.00 0.00 C ATOM 1283 CD PRO A 80 6.389 -3.497 -29.366 1.00 0.00 C ATOM 0 HA PRO A 80 8.896 -4.526 -27.412 1.00 0.00 H new ATOM 0 HB2 PRO A 80 9.243 -5.088 -30.096 1.00 0.00 H new ATOM 0 HB3 PRO A 80 8.127 -6.002 -29.101 1.00 0.00 H new ATOM 0 HG2 PRO A 80 7.516 -3.918 -31.184 1.00 0.00 H new ATOM 0 HG3 PRO A 80 6.518 -5.255 -30.647 1.00 0.00 H new ATOM 0 HD2 PRO A 80 6.192 -2.539 -29.848 1.00 0.00 H new ATOM 0 HD3 PRO A 80 5.423 -3.916 -29.083 1.00 0.00 H new ATOM 1284 N MET A 81 10.895 -3.234 -28.243 1.00 0.00 N ATOM 1285 CA MET A 81 11.981 -2.257 -28.559 1.00 0.00 C ATOM 1286 C MET A 81 13.351 -2.954 -28.537 1.00 0.00 C ATOM 1287 O MET A 81 13.629 -3.773 -27.661 1.00 0.00 O ATOM 1288 CB MET A 81 11.968 -1.128 -27.523 1.00 0.00 C ATOM 1289 CG MET A 81 11.959 -1.722 -26.111 1.00 0.00 C ATOM 1290 SD MET A 81 12.827 -0.609 -24.980 1.00 0.00 S ATOM 1291 CE MET A 81 13.639 -1.888 -23.991 1.00 0.00 C ATOM 0 H MET A 81 11.182 -4.044 -27.694 1.00 0.00 H new ATOM 0 HA MET A 81 11.809 -1.848 -29.555 1.00 0.00 H new ATOM 0 HB2 MET A 81 12.843 -0.491 -27.654 1.00 0.00 H new ATOM 0 HB3 MET A 81 11.090 -0.498 -27.668 1.00 0.00 H new ATOM 0 HG2 MET A 81 10.933 -1.871 -25.775 1.00 0.00 H new ATOM 0 HG3 MET A 81 12.439 -2.701 -26.114 1.00 0.00 H new ATOM 0 HE1 MET A 81 14.034 -1.445 -23.077 1.00 0.00 H new ATOM 0 HE2 MET A 81 12.917 -2.664 -23.736 1.00 0.00 H new ATOM 0 HE3 MET A 81 14.456 -2.327 -24.564 1.00 0.00 H new ATOM 1292 N ARG A 82 14.221 -2.639 -29.474 1.00 0.00 N ATOM 1293 CA ARG A 82 15.569 -3.277 -29.486 1.00 0.00 C ATOM 1294 C ARG A 82 16.617 -2.232 -29.079 1.00 0.00 C ATOM 1295 O ARG A 82 16.456 -1.044 -29.353 1.00 0.00 O ATOM 1296 CB ARG A 82 15.882 -3.819 -30.887 1.00 0.00 C ATOM 1297 CG ARG A 82 15.872 -2.678 -31.910 1.00 0.00 C ATOM 1298 CD ARG A 82 16.520 -3.154 -33.211 1.00 0.00 C ATOM 1299 NE ARG A 82 18.001 -3.191 -33.046 1.00 0.00 N ATOM 1300 CZ ARG A 82 18.775 -2.811 -34.025 1.00 0.00 C ATOM 1301 NH1 ARG A 82 18.609 -3.308 -35.220 1.00 0.00 N ATOM 1302 NH2 ARG A 82 19.718 -1.937 -33.807 1.00 0.00 N ATOM 0 H ARG A 82 14.051 -1.970 -30.225 1.00 0.00 H new ATOM 0 HA ARG A 82 15.588 -4.109 -28.782 1.00 0.00 H new ATOM 0 HB2 ARG A 82 16.856 -4.308 -30.886 1.00 0.00 H new ATOM 0 HB3 ARG A 82 15.146 -4.574 -31.166 1.00 0.00 H new ATOM 0 HG2 ARG A 82 14.849 -2.353 -32.098 1.00 0.00 H new ATOM 0 HG3 ARG A 82 16.412 -1.817 -31.516 1.00 0.00 H new ATOM 0 HD2 ARG A 82 16.148 -4.144 -33.473 1.00 0.00 H new ATOM 0 HD3 ARG A 82 16.251 -2.486 -34.029 1.00 0.00 H new ATOM 0 HE ARG A 82 18.409 -3.513 -32.168 1.00 0.00 H new ATOM 0 HH11 ARG A 82 17.874 -3.994 -35.389 1.00 0.00 H new ATOM 0 HH12 ARG A 82 19.215 -3.010 -35.985 1.00 0.00 H new ATOM 0 HH21 ARG A 82 19.850 -1.551 -32.872 1.00 0.00 H new ATOM 0 HH22 ARG A 82 20.324 -1.639 -34.572 1.00 0.00 H new ATOM 1303 N ILE A 83 17.678 -2.637 -28.416 1.00 0.00 N ATOM 1304 CA ILE A 83 18.705 -1.644 -27.988 1.00 0.00 C ATOM 1305 C ILE A 83 20.048 -1.929 -28.683 1.00 0.00 C ATOM 1306 O ILE A 83 20.402 -3.079 -28.934 1.00 0.00 O ATOM 1307 CB ILE A 83 18.889 -1.730 -26.471 1.00 0.00 C ATOM 1308 CG1 ILE A 83 17.537 -1.531 -25.779 1.00 0.00 C ATOM 1309 CG2 ILE A 83 19.860 -0.642 -26.007 1.00 0.00 C ATOM 1310 CD1 ILE A 83 17.593 -2.131 -24.373 1.00 0.00 C ATOM 0 H ILE A 83 17.871 -3.604 -28.157 1.00 0.00 H new ATOM 0 HA ILE A 83 18.370 -0.645 -28.266 1.00 0.00 H new ATOM 0 HB ILE A 83 19.291 -2.710 -26.213 1.00 0.00 H new ATOM 0 HG12 ILE A 83 17.297 -0.469 -25.724 1.00 0.00 H new ATOM 0 HG13 ILE A 83 16.746 -2.007 -26.358 1.00 0.00 H new ATOM 0 HG21 ILE A 83 19.989 -0.706 -24.927 1.00 0.00 H new ATOM 0 HG22 ILE A 83 20.824 -0.782 -26.496 1.00 0.00 H new ATOM 0 HG23 ILE A 83 19.460 0.338 -26.267 1.00 0.00 H new ATOM 0 HD11 ILE A 83 16.632 -1.990 -23.879 1.00 0.00 H new ATOM 0 HD12 ILE A 83 17.814 -3.196 -24.441 1.00 0.00 H new ATOM 0 HD13 ILE A 83 18.373 -1.634 -23.796 1.00 0.00 H new ATOM 1311 N GLN A 84 20.808 -0.898 -28.988 1.00 0.00 N ATOM 1312 CA GLN A 84 22.129 -1.104 -29.653 1.00 0.00 C ATOM 1313 C GLN A 84 23.130 -0.087 -29.081 1.00 0.00 C ATOM 1314 O GLN A 84 22.774 1.064 -28.845 1.00 0.00 O ATOM 1315 CB GLN A 84 21.984 -0.890 -31.163 1.00 0.00 C ATOM 1316 CG GLN A 84 21.323 0.466 -31.427 1.00 0.00 C ATOM 1317 CD GLN A 84 21.032 0.611 -32.926 1.00 0.00 C ATOM 1318 OE1 GLN A 84 21.652 -0.060 -33.748 1.00 0.00 O ATOM 1319 NE2 GLN A 84 20.117 1.456 -33.335 1.00 0.00 N ATOM 0 H GLN A 84 20.565 0.075 -28.803 1.00 0.00 H new ATOM 0 HA GLN A 84 22.484 -2.119 -29.471 1.00 0.00 H new ATOM 0 HB2 GLN A 84 22.962 -0.929 -31.642 1.00 0.00 H new ATOM 0 HB3 GLN A 84 21.384 -1.689 -31.598 1.00 0.00 H new ATOM 0 HG2 GLN A 84 20.398 0.549 -30.857 1.00 0.00 H new ATOM 0 HG3 GLN A 84 21.976 1.272 -31.093 1.00 0.00 H new ATOM 0 HE21 GLN A 84 19.600 2.015 -32.657 1.00 0.00 H new ATOM 0 HE22 GLN A 84 19.922 1.554 -34.331 1.00 0.00 H new ATOM 1320 N TYR A 85 24.365 -0.482 -28.834 1.00 0.00 N ATOM 1321 CA TYR A 85 25.367 0.484 -28.253 1.00 0.00 C ATOM 1322 C TYR A 85 25.314 1.838 -28.991 1.00 0.00 C ATOM 1323 O TYR A 85 25.188 1.886 -30.213 1.00 0.00 O ATOM 1324 CB TYR A 85 26.787 -0.088 -28.362 1.00 0.00 C ATOM 1325 CG TYR A 85 26.950 -1.265 -27.421 1.00 0.00 C ATOM 1326 CD1 TYR A 85 26.523 -1.175 -26.085 1.00 0.00 C ATOM 1327 CD2 TYR A 85 27.538 -2.448 -27.886 1.00 0.00 C ATOM 1328 CE1 TYR A 85 26.687 -2.266 -25.225 1.00 0.00 C ATOM 1329 CE2 TYR A 85 27.700 -3.538 -27.024 1.00 0.00 C ATOM 1330 CZ TYR A 85 27.275 -3.447 -25.695 1.00 0.00 C ATOM 1331 OH TYR A 85 27.441 -4.523 -24.850 1.00 0.00 O ATOM 0 H TYR A 85 24.720 -1.422 -29.008 1.00 0.00 H new ATOM 0 HA TYR A 85 25.113 0.636 -27.204 1.00 0.00 H new ATOM 0 HB2 TYR A 85 26.983 -0.403 -29.387 1.00 0.00 H new ATOM 0 HB3 TYR A 85 27.518 0.684 -28.121 1.00 0.00 H new ATOM 0 HD1 TYR A 85 26.069 -0.265 -25.723 1.00 0.00 H new ATOM 0 HD2 TYR A 85 27.867 -2.519 -28.912 1.00 0.00 H new ATOM 0 HE1 TYR A 85 26.360 -2.198 -24.198 1.00 0.00 H new ATOM 0 HE2 TYR A 85 28.153 -4.449 -27.385 1.00 0.00 H new ATOM 0 HH TYR A 85 28.187 -4.347 -24.239 1.00 0.00 H new ATOM 1332 N ALA A 86 25.401 2.938 -28.271 1.00 0.00 N ATOM 1333 CA ALA A 86 25.347 4.280 -28.939 1.00 0.00 C ATOM 1334 C ALA A 86 26.452 4.372 -30.002 1.00 0.00 C ATOM 1335 O ALA A 86 27.115 3.382 -30.307 1.00 0.00 O ATOM 1336 CB ALA A 86 25.542 5.398 -27.904 1.00 0.00 C ATOM 0 H ALA A 86 25.506 2.962 -27.257 1.00 0.00 H new ATOM 0 HA ALA A 86 24.372 4.398 -29.411 1.00 0.00 H new ATOM 0 HB1 ALA A 86 25.501 6.366 -28.402 1.00 0.00 H new ATOM 0 HB2 ALA A 86 24.753 5.342 -27.154 1.00 0.00 H new ATOM 0 HB3 ALA A 86 26.511 5.280 -27.420 1.00 0.00 H new ATOM 1337 N LYS A 87 26.672 5.539 -30.576 1.00 0.00 N ATOM 1338 CA LYS A 87 27.741 5.662 -31.615 1.00 0.00 C ATOM 1339 C LYS A 87 29.108 5.825 -30.932 1.00 0.00 C ATOM 1340 O LYS A 87 30.065 5.129 -31.267 1.00 0.00 O ATOM 1341 CB LYS A 87 27.481 6.882 -32.514 1.00 0.00 C ATOM 1342 CG LYS A 87 26.048 6.848 -33.062 1.00 0.00 C ATOM 1343 CD LYS A 87 25.832 5.576 -33.890 1.00 0.00 C ATOM 1344 CE LYS A 87 24.971 5.898 -35.115 1.00 0.00 C ATOM 1345 NZ LYS A 87 25.833 6.445 -36.199 1.00 0.00 N ATOM 0 H LYS A 87 26.162 6.398 -30.370 1.00 0.00 H new ATOM 0 HA LYS A 87 27.735 4.760 -32.227 1.00 0.00 H new ATOM 0 HB2 LYS A 87 27.638 7.799 -31.947 1.00 0.00 H new ATOM 0 HB3 LYS A 87 28.193 6.891 -33.340 1.00 0.00 H new ATOM 0 HG2 LYS A 87 25.334 6.881 -32.239 1.00 0.00 H new ATOM 0 HG3 LYS A 87 25.865 7.728 -33.678 1.00 0.00 H new ATOM 0 HD2 LYS A 87 26.792 5.168 -34.205 1.00 0.00 H new ATOM 0 HD3 LYS A 87 25.346 4.813 -33.282 1.00 0.00 H new ATOM 0 HE2 LYS A 87 24.461 4.999 -35.461 1.00 0.00 H new ATOM 0 HE3 LYS A 87 24.199 6.621 -34.850 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 25.248 6.664 -37.031 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 26.300 7.313 -35.867 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 26.554 5.741 -36.458 1.00 0.00 H new ATOM 1346 N THR A 88 29.228 6.731 -29.985 1.00 0.00 N ATOM 1347 CA THR A 88 30.538 6.926 -29.304 1.00 0.00 C ATOM 1348 C THR A 88 30.390 6.649 -27.800 1.00 0.00 C ATOM 1349 O THR A 88 29.302 6.330 -27.322 1.00 0.00 O ATOM 1350 CB THR A 88 31.007 8.367 -29.512 1.00 0.00 C ATOM 1351 OG1 THR A 88 29.939 9.259 -29.227 1.00 0.00 O ATOM 1352 CG2 THR A 88 31.454 8.551 -30.962 1.00 0.00 C ATOM 0 H THR A 88 28.475 7.338 -29.661 1.00 0.00 H new ATOM 0 HA THR A 88 31.270 6.237 -29.725 1.00 0.00 H new ATOM 0 HB THR A 88 31.842 8.578 -28.845 1.00 0.00 H new ATOM 0 HG1 THR A 88 30.240 10.182 -29.359 1.00 0.00 H new ATOM 0 HG21 THR A 88 31.789 9.577 -31.112 1.00 0.00 H new ATOM 0 HG22 THR A 88 32.274 7.867 -31.180 1.00 0.00 H new ATOM 0 HG23 THR A 88 30.619 8.340 -31.630 1.00 0.00 H new ATOM 1353 N ASP A 89 31.459 6.767 -27.039 1.00 0.00 N ATOM 1354 CA ASP A 89 31.355 6.509 -25.567 1.00 0.00 C ATOM 1355 C ASP A 89 30.608 7.676 -24.904 1.00 0.00 C ATOM 1356 O ASP A 89 30.092 8.558 -25.588 1.00 0.00 O ATOM 1357 CB ASP A 89 32.753 6.382 -24.949 1.00 0.00 C ATOM 1358 CG ASP A 89 33.585 5.393 -25.766 1.00 0.00 C ATOM 1359 OD1 ASP A 89 33.267 4.215 -25.736 1.00 0.00 O ATOM 1360 OD2 ASP A 89 34.527 5.829 -26.407 1.00 0.00 O ATOM 0 H ASP A 89 32.387 7.028 -27.372 1.00 0.00 H new ATOM 0 HA ASP A 89 30.813 5.578 -25.405 1.00 0.00 H new ATOM 0 HB2 ASP A 89 33.243 7.356 -24.929 1.00 0.00 H new ATOM 0 HB3 ASP A 89 32.676 6.042 -23.916 1.00 0.00 H new ATOM 1361 N SER A 90 30.535 7.706 -23.591 1.00 0.00 N ATOM 1362 CA SER A 90 29.816 8.824 -22.913 1.00 0.00 C ATOM 1363 C SER A 90 30.818 9.909 -22.496 1.00 0.00 C ATOM 1364 O SER A 90 32.009 9.643 -22.342 1.00 0.00 O ATOM 1365 CB SER A 90 29.096 8.297 -21.670 1.00 0.00 C ATOM 1366 OG SER A 90 28.067 9.205 -21.301 1.00 0.00 O ATOM 0 H SER A 90 30.941 7.008 -22.968 1.00 0.00 H new ATOM 0 HA SER A 90 29.087 9.248 -23.604 1.00 0.00 H new ATOM 0 HB2 SER A 90 28.673 7.313 -21.871 1.00 0.00 H new ATOM 0 HB3 SER A 90 29.803 8.178 -20.849 1.00 0.00 H new ATOM 0 HG SER A 90 28.467 10.028 -20.952 1.00 0.00 H new ATOM 1367 N ASP A 91 30.364 11.131 -22.307 1.00 0.00 N ATOM 1368 CA ASP A 91 31.300 12.220 -21.898 1.00 0.00 C ATOM 1369 C ASP A 91 31.382 12.307 -20.364 1.00 0.00 C ATOM 1370 O ASP A 91 32.415 12.687 -19.817 1.00 0.00 O ATOM 1371 CB ASP A 91 30.815 13.560 -22.461 1.00 0.00 C ATOM 1372 CG ASP A 91 31.490 13.823 -23.808 1.00 0.00 C ATOM 1373 OD1 ASP A 91 30.939 13.410 -24.815 1.00 0.00 O ATOM 1374 OD2 ASP A 91 32.547 14.432 -23.809 1.00 0.00 O ATOM 0 H ASP A 91 29.391 11.414 -22.419 1.00 0.00 H new ATOM 0 HA ASP A 91 32.291 11.996 -22.294 1.00 0.00 H new ATOM 0 HB2 ASP A 91 29.732 13.545 -22.582 1.00 0.00 H new ATOM 0 HB3 ASP A 91 31.046 14.365 -21.763 1.00 0.00 H new ATOM 1375 N ILE A 92 30.323 11.982 -19.649 1.00 0.00 N ATOM 1376 CA ILE A 92 30.389 12.067 -18.157 1.00 0.00 C ATOM 1377 C ILE A 92 31.536 11.187 -17.612 1.00 0.00 C ATOM 1378 O ILE A 92 32.104 11.498 -16.568 1.00 0.00 O ATOM 1379 CB ILE A 92 29.054 11.638 -17.520 1.00 0.00 C ATOM 1380 CG1 ILE A 92 28.569 10.309 -18.118 1.00 0.00 C ATOM 1381 CG2 ILE A 92 28.002 12.721 -17.769 1.00 0.00 C ATOM 1382 CD1 ILE A 92 28.017 9.413 -17.006 1.00 0.00 C ATOM 0 H ILE A 92 29.431 11.667 -20.031 1.00 0.00 H new ATOM 0 HA ILE A 92 30.583 13.106 -17.892 1.00 0.00 H new ATOM 0 HB ILE A 92 29.205 11.504 -16.449 1.00 0.00 H new ATOM 0 HG12 ILE A 92 27.797 10.495 -18.865 1.00 0.00 H new ATOM 0 HG13 ILE A 92 29.391 9.807 -18.628 1.00 0.00 H new ATOM 0 HG21 ILE A 92 27.056 12.420 -17.319 1.00 0.00 H new ATOM 0 HG22 ILE A 92 28.333 13.659 -17.324 1.00 0.00 H new ATOM 0 HG23 ILE A 92 27.866 12.857 -18.842 1.00 0.00 H new ATOM 0 HD11 ILE A 92 27.674 8.471 -17.434 1.00 0.00 H new ATOM 0 HD12 ILE A 92 28.801 9.215 -16.275 1.00 0.00 H new ATOM 0 HD13 ILE A 92 27.182 9.914 -16.516 1.00 0.00 H new ATOM 1383 N ILE A 93 31.911 10.110 -18.285 1.00 0.00 N ATOM 1384 CA ILE A 93 33.039 9.260 -17.765 1.00 0.00 C ATOM 1385 C ILE A 93 34.388 9.909 -18.151 1.00 0.00 C ATOM 1386 O ILE A 93 35.374 9.764 -17.436 1.00 0.00 O ATOM 1387 CB ILE A 93 32.949 7.823 -18.338 1.00 0.00 C ATOM 1388 CG1 ILE A 93 31.827 7.059 -17.630 1.00 0.00 C ATOM 1389 CG2 ILE A 93 34.264 7.061 -18.104 1.00 0.00 C ATOM 1390 CD1 ILE A 93 30.484 7.684 -17.976 1.00 0.00 C ATOM 0 H ILE A 93 31.490 9.790 -19.157 1.00 0.00 H new ATOM 0 HA ILE A 93 32.966 9.196 -16.679 1.00 0.00 H new ATOM 0 HB ILE A 93 32.753 7.896 -19.408 1.00 0.00 H new ATOM 0 HG12 ILE A 93 31.840 6.012 -17.932 1.00 0.00 H new ATOM 0 HG13 ILE A 93 31.983 7.082 -16.551 1.00 0.00 H new ATOM 0 HG21 ILE A 93 34.179 6.055 -18.514 1.00 0.00 H new ATOM 0 HG22 ILE A 93 35.082 7.586 -18.598 1.00 0.00 H new ATOM 0 HG23 ILE A 93 34.465 7.001 -17.034 1.00 0.00 H new ATOM 0 HD11 ILE A 93 29.688 7.138 -17.471 1.00 0.00 H new ATOM 0 HD12 ILE A 93 30.473 8.725 -17.652 1.00 0.00 H new ATOM 0 HD13 ILE A 93 30.328 7.638 -19.054 1.00 0.00 H new