USER MOD reduce.3.24.130724 H: found=0, std=0, add=736, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 0 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 17 ASN : amide:sc= -0.303 K(o=-0.3,f=-2.8!) USER MOD Set 1.2: A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 65 THR OG1 : rot 180:sc= 0.0153 USER MOD Set 2.2: A 85 TYR OH : rot 106:sc= -5.31! USER MOD Set 3.1: A 28 SER OG : rot -174:sc= 0.154 USER MOD Set 3.2: A 77 TYR OH : rot -22:sc= -3.27! USER MOD Set 4.1: A 14 ASN : amide:sc= -0.0354 K(o=-1.7,f=-3) USER MOD Set 4.2: A 84 GLN : amide:sc= -1.67 K(o=-1.7,f=-4.3!) USER MOD Set 5.1: A 12 TYR OH : rot 41:sc= 0.427 USER MOD Set 5.2: A 50 MET CE :methyl -168:sc= -1.18 (180deg=-1.89) USER MOD Set 5.3: A 53 GLN :FLIP amide:sc= -1.05 F(o=-6.9!,f=-1.8) USER MOD Set 6.1: A 10 THR OG1 : rot -21:sc= 0.32 USER MOD Set 6.2: A 90 SER OG : rot -130:sc= -0.505 USER MOD Single : A 8 ASN : amide:sc= -0.0543 X(o=-0.054,f=-0.27) USER MOD Single : A 9 HIS : no HD1:sc= -0.444 K(o=-0.44,f=-4.7!) USER MOD Single : A 15 ASN : amide:sc= -0.0366 K(o=-0.037,f=-1.3) USER MOD Single : A 19 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.022) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 LYS NZ :NH3+ 154:sc= -0.0627 (180deg=-0.513) 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= -0.322 X(o=-0.32,f=-0.0072) USER MOD Single : A 34 SER OG : rot -68:sc= -0.722! USER MOD Single : A 38 GLN :FLIP amide:sc= -0.174 F(o=-0.75,f=-0.17) USER MOD Single : A 45 SER OG : rot 135:sc= 0.109 USER MOD Single : A 47 SER OG : rot 180:sc= 0.0482 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 66 ASN :FLIP amide:sc= -1.63! C(o=-3.5!,f=-1.6!) USER MOD Single : A 70 SER OG : rot 152:sc= 0.53 USER MOD Single : A 71 MET CE :methyl -129:sc= -0.657 (180deg=-1.28) USER MOD Single : A 72 GLN : amide:sc= -0.13 X(o=-0.13,f=0) USER MOD Single : A 81 MET CE :methyl -179:sc= -0.0114 (180deg=-0.014) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 682 N PRO A 7 31.409 -2.614 -28.586 1.00 0.00 N ATOM 683 CA PRO A 7 31.117 -2.353 -27.165 1.00 0.00 C ATOM 684 C PRO A 7 31.314 -0.864 -26.840 1.00 0.00 C ATOM 685 O PRO A 7 32.235 -0.225 -27.347 1.00 0.00 O ATOM 686 CB PRO A 7 32.142 -3.212 -26.419 1.00 0.00 C ATOM 687 CG PRO A 7 33.305 -3.462 -27.406 1.00 0.00 C ATOM 688 CD PRO A 7 32.745 -3.219 -28.819 1.00 0.00 C ATOM 0 HA PRO A 7 30.089 -2.591 -26.891 1.00 0.00 H new ATOM 0 HB2 PRO A 7 32.496 -2.703 -25.523 1.00 0.00 H new ATOM 0 HB3 PRO A 7 31.698 -4.154 -26.096 1.00 0.00 H new ATOM 0 HG2 PRO A 7 34.139 -2.791 -27.199 1.00 0.00 H new ATOM 0 HG3 PRO A 7 33.683 -4.480 -27.309 1.00 0.00 H new ATOM 0 HD2 PRO A 7 33.389 -2.552 -29.393 1.00 0.00 H new ATOM 0 HD3 PRO A 7 32.668 -4.149 -29.382 1.00 0.00 H new ATOM 689 N ASN A 8 30.472 -0.295 -26.003 1.00 0.00 N ATOM 690 CA ASN A 8 30.626 1.148 -25.657 1.00 0.00 C ATOM 691 C ASN A 8 30.282 1.354 -24.175 1.00 0.00 C ATOM 692 O ASN A 8 29.909 0.411 -23.479 1.00 0.00 O ATOM 693 CB ASN A 8 29.682 1.985 -26.523 1.00 0.00 C ATOM 694 CG ASN A 8 30.246 2.084 -27.946 1.00 0.00 C ATOM 695 OD1 ASN A 8 29.752 1.423 -28.857 1.00 0.00 O ATOM 696 ND2 ASN A 8 31.259 2.877 -28.195 1.00 0.00 N ATOM 0 H ASN A 8 29.691 -0.770 -25.550 1.00 0.00 H new ATOM 0 HA ASN A 8 31.654 1.460 -25.839 1.00 0.00 H new ATOM 0 HB2 ASN A 8 28.691 1.531 -26.544 1.00 0.00 H new ATOM 0 HB3 ASN A 8 29.567 2.981 -26.096 1.00 0.00 H new ATOM 0 HD21 ASN A 8 31.634 2.944 -29.141 1.00 0.00 H new ATOM 0 HD22 ASN A 8 31.673 3.428 -27.443 1.00 0.00 H new ATOM 697 N HIS A 9 30.392 2.566 -23.672 1.00 0.00 N ATOM 698 CA HIS A 9 30.063 2.805 -22.234 1.00 0.00 C ATOM 699 C HIS A 9 28.664 3.440 -22.105 1.00 0.00 C ATOM 700 O HIS A 9 28.421 4.225 -21.191 1.00 0.00 O ATOM 701 CB HIS A 9 31.105 3.754 -21.633 1.00 0.00 C ATOM 702 CG HIS A 9 31.396 3.358 -20.212 1.00 0.00 C ATOM 703 ND1 HIS A 9 32.690 3.273 -19.722 1.00 0.00 N ATOM 704 CD2 HIS A 9 30.576 3.022 -19.165 1.00 0.00 C ATOM 705 CE1 HIS A 9 32.611 2.902 -18.432 1.00 0.00 C ATOM 706 NE2 HIS A 9 31.344 2.734 -18.041 1.00 0.00 N ATOM 0 H HIS A 9 30.693 3.390 -24.193 1.00 0.00 H new ATOM 0 HA HIS A 9 30.071 1.853 -21.703 1.00 0.00 H new ATOM 0 HB2 HIS A 9 32.021 3.724 -22.223 1.00 0.00 H new ATOM 0 HB3 HIS A 9 30.738 4.780 -21.666 1.00 0.00 H new ATOM 0 HD2 HIS A 9 29.497 2.986 -19.207 1.00 0.00 H new ATOM 0 HE1 HIS A 9 33.467 2.757 -17.790 1.00 0.00 H new ATOM 0 HE2 HIS A 9 31.012 2.455 -17.118 1.00 0.00 H new ATOM 707 N THR A 10 27.739 3.123 -22.991 1.00 0.00 N ATOM 708 CA THR A 10 26.370 3.727 -22.890 1.00 0.00 C ATOM 709 C THR A 10 25.404 2.995 -23.838 1.00 0.00 C ATOM 710 O THR A 10 25.684 2.857 -25.025 1.00 0.00 O ATOM 711 CB THR A 10 26.436 5.208 -23.290 1.00 0.00 C ATOM 712 OG1 THR A 10 27.363 5.887 -22.454 1.00 0.00 O ATOM 713 CG2 THR A 10 25.054 5.852 -23.145 1.00 0.00 C ATOM 0 H THR A 10 27.874 2.479 -23.770 1.00 0.00 H new ATOM 0 HA THR A 10 26.014 3.633 -21.864 1.00 0.00 H new ATOM 0 HB THR A 10 26.759 5.281 -24.329 1.00 0.00 H new ATOM 0 HG1 THR A 10 27.491 5.378 -21.626 1.00 0.00 H new ATOM 0 HG21 THR A 10 25.110 6.902 -23.431 1.00 0.00 H new ATOM 0 HG22 THR A 10 24.343 5.338 -23.792 1.00 0.00 H new ATOM 0 HG23 THR A 10 24.724 5.775 -22.109 1.00 0.00 H new ATOM 714 N ILE A 11 24.271 2.536 -23.353 1.00 0.00 N ATOM 715 CA ILE A 11 23.313 1.835 -24.261 1.00 0.00 C ATOM 716 C ILE A 11 22.346 2.869 -24.863 1.00 0.00 C ATOM 717 O ILE A 11 22.351 4.036 -24.470 1.00 0.00 O ATOM 718 CB ILE A 11 22.540 0.756 -23.488 1.00 0.00 C ATOM 719 CG1 ILE A 11 21.691 1.404 -22.377 1.00 0.00 C ATOM 720 CG2 ILE A 11 23.537 -0.232 -22.869 1.00 0.00 C ATOM 721 CD1 ILE A 11 20.203 1.191 -22.670 1.00 0.00 C ATOM 0 H ILE A 11 23.974 2.616 -22.380 1.00 0.00 H new ATOM 0 HA ILE A 11 23.862 1.345 -25.065 1.00 0.00 H new ATOM 0 HB ILE A 11 21.876 0.228 -24.173 1.00 0.00 H new ATOM 0 HG12 ILE A 11 21.947 0.969 -21.411 1.00 0.00 H new ATOM 0 HG13 ILE A 11 21.910 2.470 -22.314 1.00 0.00 H new ATOM 0 HG21 ILE A 11 22.994 -1.000 -22.319 1.00 0.00 H new ATOM 0 HG22 ILE A 11 24.125 -0.699 -23.659 1.00 0.00 H new ATOM 0 HG23 ILE A 11 24.202 0.300 -22.188 1.00 0.00 H new ATOM 0 HD11 ILE A 11 19.607 1.651 -21.881 1.00 0.00 H new ATOM 0 HD12 ILE A 11 19.952 1.647 -23.628 1.00 0.00 H new ATOM 0 HD13 ILE A 11 19.989 0.123 -22.710 1.00 0.00 H new ATOM 722 N TYR A 12 21.529 2.479 -25.819 1.00 0.00 N ATOM 723 CA TYR A 12 20.594 3.461 -26.447 1.00 0.00 C ATOM 724 C TYR A 12 19.296 2.743 -26.872 1.00 0.00 C ATOM 725 O TYR A 12 19.328 1.806 -27.666 1.00 0.00 O ATOM 726 CB TYR A 12 21.298 4.075 -27.671 1.00 0.00 C ATOM 727 CG TYR A 12 20.331 4.874 -28.520 1.00 0.00 C ATOM 728 CD1 TYR A 12 19.587 5.916 -27.953 1.00 0.00 C ATOM 729 CD2 TYR A 12 20.185 4.569 -29.878 1.00 0.00 C ATOM 730 CE1 TYR A 12 18.697 6.651 -28.746 1.00 0.00 C ATOM 731 CE2 TYR A 12 19.297 5.303 -30.671 1.00 0.00 C ATOM 732 CZ TYR A 12 18.552 6.344 -30.106 1.00 0.00 C ATOM 733 OH TYR A 12 17.675 7.070 -30.889 1.00 0.00 O ATOM 0 H TYR A 12 21.473 1.529 -26.186 1.00 0.00 H new ATOM 0 HA TYR A 12 20.331 4.248 -25.740 1.00 0.00 H new ATOM 0 HB2 TYR A 12 22.112 4.720 -27.339 1.00 0.00 H new ATOM 0 HB3 TYR A 12 21.744 3.282 -28.272 1.00 0.00 H new ATOM 0 HD1 TYR A 12 19.699 6.153 -26.905 1.00 0.00 H new ATOM 0 HD2 TYR A 12 20.759 3.765 -30.315 1.00 0.00 H new ATOM 0 HE1 TYR A 12 18.122 7.455 -28.310 1.00 0.00 H new ATOM 0 HE2 TYR A 12 19.186 5.066 -31.719 1.00 0.00 H new ATOM 0 HH TYR A 12 17.743 8.021 -30.661 1.00 0.00 H new ATOM 734 N ILE A 13 18.155 3.166 -26.368 1.00 0.00 N ATOM 735 CA ILE A 13 16.876 2.502 -26.757 1.00 0.00 C ATOM 736 C ILE A 13 16.055 3.455 -27.639 1.00 0.00 C ATOM 737 O ILE A 13 16.028 4.661 -27.401 1.00 0.00 O ATOM 738 CB ILE A 13 16.077 2.161 -25.497 1.00 0.00 C ATOM 739 CG1 ILE A 13 16.951 1.336 -24.536 1.00 0.00 C ATOM 740 CG2 ILE A 13 14.835 1.355 -25.886 1.00 0.00 C ATOM 741 CD1 ILE A 13 16.819 1.891 -23.116 1.00 0.00 C ATOM 0 H ILE A 13 18.060 3.938 -25.708 1.00 0.00 H new ATOM 0 HA ILE A 13 17.093 1.588 -27.310 1.00 0.00 H new ATOM 0 HB ILE A 13 15.771 3.082 -25.000 1.00 0.00 H new ATOM 0 HG12 ILE A 13 16.646 0.290 -24.558 1.00 0.00 H new ATOM 0 HG13 ILE A 13 17.993 1.371 -24.855 1.00 0.00 H new ATOM 0 HG21 ILE A 13 14.264 1.111 -24.990 1.00 0.00 H new ATOM 0 HG22 ILE A 13 14.215 1.945 -26.561 1.00 0.00 H new ATOM 0 HG23 ILE A 13 15.140 0.435 -26.384 1.00 0.00 H new ATOM 0 HD11 ILE A 13 17.439 1.305 -22.437 1.00 0.00 H new ATOM 0 HD12 ILE A 13 17.146 2.931 -23.100 1.00 0.00 H new ATOM 0 HD13 ILE A 13 15.778 1.833 -22.798 1.00 0.00 H new ATOM 742 N ASN A 14 15.382 2.947 -28.651 1.00 0.00 N ATOM 743 CA ASN A 14 14.573 3.846 -29.524 1.00 0.00 C ATOM 744 C ASN A 14 13.224 3.179 -29.845 1.00 0.00 C ATOM 745 O ASN A 14 12.904 2.119 -29.309 1.00 0.00 O ATOM 746 CB ASN A 14 15.344 4.137 -30.820 1.00 0.00 C ATOM 747 CG ASN A 14 15.484 2.856 -31.657 1.00 0.00 C ATOM 748 OD1 ASN A 14 16.140 1.906 -31.236 1.00 0.00 O ATOM 749 ND2 ASN A 14 14.899 2.774 -32.829 1.00 0.00 N ATOM 0 H ASN A 14 15.362 1.959 -28.903 1.00 0.00 H new ATOM 0 HA ASN A 14 14.387 4.786 -29.005 1.00 0.00 H new ATOM 0 HB2 ASN A 14 14.823 4.901 -31.397 1.00 0.00 H new ATOM 0 HB3 ASN A 14 16.331 4.534 -30.583 1.00 0.00 H new ATOM 0 HD21 ASN A 14 14.990 1.924 -33.386 1.00 0.00 H new ATOM 0 HD22 ASN A 14 14.353 3.560 -33.183 1.00 0.00 H new ATOM 750 N ASN A 15 12.423 3.774 -30.704 1.00 0.00 N ATOM 751 CA ASN A 15 11.106 3.162 -31.041 1.00 0.00 C ATOM 752 C ASN A 15 10.256 3.048 -29.768 1.00 0.00 C ATOM 753 O ASN A 15 9.615 2.026 -29.528 1.00 0.00 O ATOM 754 CB ASN A 15 11.322 1.768 -31.636 1.00 0.00 C ATOM 755 CG ASN A 15 10.210 1.464 -32.648 1.00 0.00 C ATOM 756 OD1 ASN A 15 9.121 2.028 -32.561 1.00 0.00 O ATOM 757 ND2 ASN A 15 10.418 0.597 -33.609 1.00 0.00 N ATOM 0 H ASN A 15 12.629 4.652 -31.180 1.00 0.00 H new ATOM 0 HA ASN A 15 10.592 3.789 -31.769 1.00 0.00 H new ATOM 0 HB2 ASN A 15 12.296 1.716 -32.123 1.00 0.00 H new ATOM 0 HB3 ASN A 15 11.322 1.019 -30.844 1.00 0.00 H new ATOM 0 HD21 ASN A 15 9.678 0.393 -34.281 1.00 0.00 H new ATOM 0 HD22 ASN A 15 11.320 0.127 -33.685 1.00 0.00 H new ATOM 758 N LEU A 16 10.232 4.074 -28.942 1.00 0.00 N ATOM 759 CA LEU A 16 9.416 4.002 -27.693 1.00 0.00 C ATOM 760 C LEU A 16 8.026 4.605 -27.953 1.00 0.00 C ATOM 761 O LEU A 16 7.729 5.041 -29.064 1.00 0.00 O ATOM 762 CB LEU A 16 10.117 4.782 -26.574 1.00 0.00 C ATOM 763 CG LEU A 16 11.416 4.068 -26.194 1.00 0.00 C ATOM 764 CD1 LEU A 16 12.387 5.068 -25.566 1.00 0.00 C ATOM 765 CD2 LEU A 16 11.109 2.957 -25.187 1.00 0.00 C ATOM 0 H LEU A 16 10.739 4.948 -29.082 1.00 0.00 H new ATOM 0 HA LEU A 16 9.307 2.961 -27.390 1.00 0.00 H new ATOM 0 HB2 LEU A 16 10.331 5.799 -26.903 1.00 0.00 H new ATOM 0 HB3 LEU A 16 9.464 4.859 -25.705 1.00 0.00 H new ATOM 0 HG LEU A 16 11.867 3.638 -27.088 1.00 0.00 H new ATOM 0 HD11 LEU A 16 13.311 4.557 -25.296 1.00 0.00 H new ATOM 0 HD12 LEU A 16 12.606 5.861 -26.281 1.00 0.00 H new ATOM 0 HD13 LEU A 16 11.937 5.500 -24.672 1.00 0.00 H new ATOM 0 HD21 LEU A 16 12.033 2.447 -24.915 1.00 0.00 H new ATOM 0 HD22 LEU A 16 10.657 3.390 -24.294 1.00 0.00 H new ATOM 0 HD23 LEU A 16 10.418 2.242 -25.633 1.00 0.00 H new ATOM 766 N ASN A 17 7.163 4.636 -26.958 1.00 0.00 N ATOM 767 CA ASN A 17 5.797 5.213 -27.177 1.00 0.00 C ATOM 768 C ASN A 17 5.887 6.743 -27.214 1.00 0.00 C ATOM 769 O ASN A 17 6.786 7.337 -26.622 1.00 0.00 O ATOM 770 CB ASN A 17 4.852 4.785 -26.047 1.00 0.00 C ATOM 771 CG ASN A 17 3.448 4.543 -26.617 1.00 0.00 C ATOM 772 OD1 ASN A 17 3.309 4.092 -27.752 1.00 0.00 O ATOM 773 ND2 ASN A 17 2.391 4.815 -25.892 1.00 0.00 N ATOM 0 H ASN A 17 7.345 4.290 -26.016 1.00 0.00 H new ATOM 0 HA ASN A 17 5.406 4.844 -28.125 1.00 0.00 H new ATOM 0 HB2 ASN A 17 5.224 3.878 -25.572 1.00 0.00 H new ATOM 0 HB3 ASN A 17 4.816 5.556 -25.277 1.00 0.00 H new ATOM 0 HD21 ASN A 17 1.458 4.652 -26.270 1.00 0.00 H new ATOM 0 HD22 ASN A 17 2.502 5.189 -24.950 1.00 0.00 H new ATOM 774 N GLU A 18 4.976 7.396 -27.899 1.00 0.00 N ATOM 775 CA GLU A 18 5.021 8.884 -27.970 1.00 0.00 C ATOM 776 C GLU A 18 3.984 9.479 -27.003 1.00 0.00 C ATOM 777 O GLU A 18 3.190 10.340 -27.381 1.00 0.00 O ATOM 778 CB GLU A 18 4.707 9.332 -29.398 1.00 0.00 C ATOM 779 CG GLU A 18 5.997 9.359 -30.219 1.00 0.00 C ATOM 780 CD GLU A 18 5.777 10.181 -31.490 1.00 0.00 C ATOM 781 OE1 GLU A 18 5.294 11.296 -31.376 1.00 0.00 O ATOM 782 OE2 GLU A 18 6.096 9.683 -32.556 1.00 0.00 O ATOM 0 H GLU A 18 4.208 6.960 -28.409 1.00 0.00 H new ATOM 0 HA GLU A 18 6.015 9.232 -27.689 1.00 0.00 H new ATOM 0 HB2 GLU A 18 3.987 8.652 -29.854 1.00 0.00 H new ATOM 0 HB3 GLU A 18 4.249 10.321 -29.388 1.00 0.00 H new ATOM 0 HG2 GLU A 18 6.806 9.790 -29.630 1.00 0.00 H new ATOM 0 HG3 GLU A 18 6.297 8.344 -30.478 1.00 0.00 H new ATOM 783 N LYS A 19 3.976 9.048 -25.758 1.00 0.00 N ATOM 784 CA LYS A 19 2.990 9.604 -24.782 1.00 0.00 C ATOM 785 C LYS A 19 3.551 9.486 -23.356 1.00 0.00 C ATOM 786 O LYS A 19 2.828 9.160 -22.416 1.00 0.00 O ATOM 787 CB LYS A 19 1.676 8.825 -24.879 1.00 0.00 C ATOM 788 CG LYS A 19 1.150 8.888 -26.314 1.00 0.00 C ATOM 789 CD LYS A 19 -0.265 8.310 -26.366 1.00 0.00 C ATOM 790 CE LYS A 19 -0.594 7.893 -27.801 1.00 0.00 C ATOM 791 NZ LYS A 19 0.014 6.562 -28.083 1.00 0.00 N ATOM 0 H LYS A 19 4.607 8.340 -25.383 1.00 0.00 H new ATOM 0 HA LYS A 19 2.808 10.653 -25.014 1.00 0.00 H new ATOM 0 HB2 LYS A 19 1.833 7.788 -24.583 1.00 0.00 H new ATOM 0 HB3 LYS A 19 0.941 9.244 -24.192 1.00 0.00 H new ATOM 0 HG2 LYS A 19 1.146 9.920 -26.666 1.00 0.00 H new ATOM 0 HG3 LYS A 19 1.808 8.327 -26.978 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -0.343 7.451 -25.700 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -0.985 9.051 -26.017 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -1.674 7.848 -27.939 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -0.213 8.635 -28.503 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -0.346 6.201 -28.990 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 1.048 6.657 -28.134 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -0.236 5.898 -27.323 1.00 0.00 H new ATOM 792 N ILE A 20 4.830 9.731 -23.177 1.00 0.00 N ATOM 793 CA ILE A 20 5.433 9.618 -21.819 1.00 0.00 C ATOM 794 C ILE A 20 5.774 11.014 -21.311 1.00 0.00 C ATOM 795 O ILE A 20 5.882 11.955 -22.099 1.00 0.00 O ATOM 796 CB ILE A 20 6.703 8.770 -21.903 1.00 0.00 C ATOM 797 CG1 ILE A 20 6.392 7.455 -22.631 1.00 0.00 C ATOM 798 CG2 ILE A 20 7.204 8.457 -20.491 1.00 0.00 C ATOM 799 CD1 ILE A 20 7.507 7.135 -23.621 1.00 0.00 C ATOM 0 H ILE A 20 5.478 10.004 -23.916 1.00 0.00 H new ATOM 0 HA ILE A 20 4.730 9.145 -21.134 1.00 0.00 H new ATOM 0 HB ILE A 20 7.469 9.320 -22.449 1.00 0.00 H new ATOM 0 HG12 ILE A 20 6.291 6.645 -21.909 1.00 0.00 H new ATOM 0 HG13 ILE A 20 5.440 7.536 -23.155 1.00 0.00 H new ATOM 0 HG21 ILE A 20 8.109 7.853 -20.552 1.00 0.00 H new ATOM 0 HG22 ILE A 20 7.424 9.388 -19.968 1.00 0.00 H new ATOM 0 HG23 ILE A 20 6.437 7.907 -19.946 1.00 0.00 H new ATOM 0 HD11 ILE A 20 7.281 6.201 -24.135 1.00 0.00 H new ATOM 0 HD12 ILE A 20 7.587 7.940 -24.351 1.00 0.00 H new ATOM 0 HD13 ILE A 20 8.451 7.035 -23.086 1.00 0.00 H new ATOM 800 N LYS A 21 5.918 11.191 -20.014 1.00 0.00 N ATOM 801 CA LYS A 21 6.216 12.555 -19.501 1.00 0.00 C ATOM 802 C LYS A 21 7.631 12.670 -18.904 1.00 0.00 C ATOM 803 O LYS A 21 7.853 13.502 -18.032 1.00 0.00 O ATOM 804 CB LYS A 21 5.183 12.939 -18.440 1.00 0.00 C ATOM 805 CG LYS A 21 3.784 12.915 -19.058 1.00 0.00 C ATOM 806 CD LYS A 21 3.429 14.311 -19.574 1.00 0.00 C ATOM 807 CE LYS A 21 2.762 15.114 -18.456 1.00 0.00 C ATOM 808 NZ LYS A 21 2.955 16.570 -18.707 1.00 0.00 N ATOM 0 H LYS A 21 5.842 10.460 -19.307 1.00 0.00 H new ATOM 0 HA LYS A 21 6.166 13.237 -20.350 1.00 0.00 H new ATOM 0 HB2 LYS A 21 5.233 12.246 -17.600 1.00 0.00 H new ATOM 0 HB3 LYS A 21 5.402 13.932 -18.047 1.00 0.00 H new ATOM 0 HG2 LYS A 21 3.748 12.194 -19.875 1.00 0.00 H new ATOM 0 HG3 LYS A 21 3.053 12.593 -18.316 1.00 0.00 H new ATOM 0 HD2 LYS A 21 4.328 14.823 -19.917 1.00 0.00 H new ATOM 0 HD3 LYS A 21 2.759 14.234 -20.430 1.00 0.00 H new ATOM 0 HE2 LYS A 21 1.698 14.880 -18.410 1.00 0.00 H new ATOM 0 HE3 LYS A 21 3.190 14.840 -17.492 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 2.502 17.116 -17.947 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 3.972 16.787 -18.730 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 2.526 16.825 -19.620 1.00 0.00 H new ATOM 809 N LYS A 22 8.594 11.899 -19.386 1.00 0.00 N ATOM 810 CA LYS A 22 10.018 11.983 -18.878 1.00 0.00 C ATOM 811 C LYS A 22 10.214 11.201 -17.564 1.00 0.00 C ATOM 812 O LYS A 22 10.925 10.196 -17.543 1.00 0.00 O ATOM 813 CB LYS A 22 10.446 13.446 -18.680 1.00 0.00 C ATOM 814 CG LYS A 22 11.939 13.592 -18.995 1.00 0.00 C ATOM 815 CD LYS A 22 12.114 14.146 -20.411 1.00 0.00 C ATOM 816 CE LYS A 22 11.920 15.663 -20.393 1.00 0.00 C ATOM 817 NZ LYS A 22 13.085 16.305 -19.719 1.00 0.00 N ATOM 0 H LYS A 22 8.451 11.205 -20.120 1.00 0.00 H new ATOM 0 HA LYS A 22 10.649 11.524 -19.639 1.00 0.00 H new ATOM 0 HB2 LYS A 22 9.862 14.098 -19.330 1.00 0.00 H new ATOM 0 HB3 LYS A 22 10.248 13.758 -17.654 1.00 0.00 H new ATOM 0 HG2 LYS A 22 12.410 14.258 -18.272 1.00 0.00 H new ATOM 0 HG3 LYS A 22 12.435 12.626 -18.908 1.00 0.00 H new ATOM 0 HD2 LYS A 22 13.106 13.900 -20.789 1.00 0.00 H new ATOM 0 HD3 LYS A 22 11.393 13.684 -21.085 1.00 0.00 H new ATOM 0 HE2 LYS A 22 11.822 16.040 -21.411 1.00 0.00 H new ATOM 0 HE3 LYS A 22 10.998 15.916 -19.869 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 13.196 17.278 -20.070 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 12.925 16.324 -18.692 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 13.948 15.762 -19.925 1.00 0.00 H new ATOM 818 N ASP A 23 9.617 11.620 -16.471 1.00 0.00 N ATOM 819 CA ASP A 23 9.798 10.877 -15.187 1.00 0.00 C ATOM 820 C ASP A 23 9.368 9.423 -15.383 1.00 0.00 C ATOM 821 O ASP A 23 9.865 8.533 -14.696 1.00 0.00 O ATOM 822 CB ASP A 23 8.950 11.508 -14.072 1.00 0.00 C ATOM 823 CG ASP A 23 9.586 12.827 -13.631 1.00 0.00 C ATOM 824 OD1 ASP A 23 10.624 12.778 -12.992 1.00 0.00 O ATOM 825 OD2 ASP A 23 9.026 13.865 -13.942 1.00 0.00 O ATOM 0 H ASP A 23 9.015 12.442 -16.416 1.00 0.00 H new ATOM 0 HA ASP A 23 10.848 10.925 -14.899 1.00 0.00 H new ATOM 0 HB2 ASP A 23 7.935 11.683 -14.428 1.00 0.00 H new ATOM 0 HB3 ASP A 23 8.878 10.826 -13.225 1.00 0.00 H new ATOM 826 N GLU A 24 8.455 9.151 -16.296 1.00 0.00 N ATOM 827 CA GLU A 24 8.033 7.740 -16.489 1.00 0.00 C ATOM 828 C GLU A 24 9.219 6.930 -17.036 1.00 0.00 C ATOM 829 O GLU A 24 9.512 5.839 -16.549 1.00 0.00 O ATOM 830 CB GLU A 24 6.850 7.649 -17.469 1.00 0.00 C ATOM 831 CG GLU A 24 5.710 6.844 -16.836 1.00 0.00 C ATOM 832 CD GLU A 24 4.368 7.388 -17.328 1.00 0.00 C ATOM 833 OE1 GLU A 24 4.090 7.248 -18.507 1.00 0.00 O ATOM 834 OE2 GLU A 24 3.639 7.934 -16.515 1.00 0.00 O ATOM 0 H GLU A 24 7.999 9.836 -16.898 1.00 0.00 H new ATOM 0 HA GLU A 24 7.713 7.335 -15.529 1.00 0.00 H new ATOM 0 HB2 GLU A 24 6.502 8.649 -17.726 1.00 0.00 H new ATOM 0 HB3 GLU A 24 7.170 7.175 -18.397 1.00 0.00 H new ATOM 0 HG2 GLU A 24 5.805 5.790 -17.098 1.00 0.00 H new ATOM 0 HG3 GLU A 24 5.764 6.909 -15.749 1.00 0.00 H new ATOM 835 N LEU A 25 9.914 7.435 -18.037 1.00 0.00 N ATOM 836 CA LEU A 25 11.077 6.662 -18.592 1.00 0.00 C ATOM 837 C LEU A 25 12.234 6.579 -17.574 1.00 0.00 C ATOM 838 O LEU A 25 13.142 5.770 -17.746 1.00 0.00 O ATOM 839 CB LEU A 25 11.598 7.309 -19.884 1.00 0.00 C ATOM 840 CG LEU A 25 10.488 7.346 -20.939 1.00 0.00 C ATOM 841 CD1 LEU A 25 10.974 8.138 -22.156 1.00 0.00 C ATOM 842 CD2 LEU A 25 10.118 5.916 -21.369 1.00 0.00 C ATOM 0 H LEU A 25 9.730 8.332 -18.485 1.00 0.00 H new ATOM 0 HA LEU A 25 10.718 5.656 -18.806 1.00 0.00 H new ATOM 0 HB2 LEU A 25 11.948 8.320 -19.678 1.00 0.00 H new ATOM 0 HB3 LEU A 25 12.452 6.747 -20.263 1.00 0.00 H new ATOM 0 HG LEU A 25 9.606 7.826 -20.515 1.00 0.00 H new ATOM 0 HD11 LEU A 25 10.187 8.167 -22.909 1.00 0.00 H new ATOM 0 HD12 LEU A 25 11.223 9.155 -21.853 1.00 0.00 H new ATOM 0 HD13 LEU A 25 11.858 7.657 -22.574 1.00 0.00 H new ATOM 0 HD21 LEU A 25 9.328 5.955 -22.119 1.00 0.00 H new ATOM 0 HD22 LEU A 25 10.995 5.424 -21.790 1.00 0.00 H new ATOM 0 HD23 LEU A 25 9.769 5.354 -20.503 1.00 0.00 H new ATOM 843 N LYS A 26 12.244 7.378 -16.523 1.00 0.00 N ATOM 844 CA LYS A 26 13.364 7.281 -15.539 1.00 0.00 C ATOM 845 C LYS A 26 13.023 6.245 -14.449 1.00 0.00 C ATOM 846 O LYS A 26 13.920 5.645 -13.860 1.00 0.00 O ATOM 847 CB LYS A 26 13.618 8.646 -14.890 1.00 0.00 C ATOM 848 CG LYS A 26 14.840 8.557 -13.973 1.00 0.00 C ATOM 849 CD LYS A 26 15.417 9.956 -13.753 1.00 0.00 C ATOM 850 CE LYS A 26 16.250 10.363 -14.970 1.00 0.00 C ATOM 851 NZ LYS A 26 16.284 11.849 -15.073 1.00 0.00 N ATOM 0 H LYS A 26 11.534 8.080 -16.312 1.00 0.00 H new ATOM 0 HA LYS A 26 14.264 6.964 -16.066 1.00 0.00 H new ATOM 0 HB2 LYS A 26 13.782 9.401 -15.659 1.00 0.00 H new ATOM 0 HB3 LYS A 26 12.743 8.957 -14.319 1.00 0.00 H new ATOM 0 HG2 LYS A 26 14.559 8.114 -13.018 1.00 0.00 H new ATOM 0 HG3 LYS A 26 15.594 7.907 -14.417 1.00 0.00 H new ATOM 0 HD2 LYS A 26 14.611 10.672 -13.595 1.00 0.00 H new ATOM 0 HD3 LYS A 26 16.035 9.969 -12.855 1.00 0.00 H new ATOM 0 HE2 LYS A 26 17.263 9.971 -14.879 1.00 0.00 H new ATOM 0 HE3 LYS A 26 15.823 9.934 -15.877 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 16.850 12.127 -15.900 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 15.315 12.212 -15.179 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 16.711 12.247 -14.212 1.00 0.00 H new ATOM 852 N LYS A 27 11.757 6.006 -14.165 1.00 0.00 N ATOM 853 CA LYS A 27 11.411 4.992 -13.123 1.00 0.00 C ATOM 854 C LYS A 27 11.495 3.580 -13.731 1.00 0.00 C ATOM 855 O LYS A 27 11.822 2.621 -13.033 1.00 0.00 O ATOM 856 CB LYS A 27 9.989 5.233 -12.596 1.00 0.00 C ATOM 857 CG LYS A 27 10.052 5.995 -11.270 1.00 0.00 C ATOM 858 CD LYS A 27 10.505 5.046 -10.158 1.00 0.00 C ATOM 859 CE LYS A 27 9.384 4.053 -9.846 1.00 0.00 C ATOM 860 NZ LYS A 27 9.671 3.369 -8.553 1.00 0.00 N ATOM 0 H LYS A 27 10.962 6.467 -14.607 1.00 0.00 H new ATOM 0 HA LYS A 27 12.117 5.082 -12.297 1.00 0.00 H new ATOM 0 HB2 LYS A 27 9.412 5.801 -13.326 1.00 0.00 H new ATOM 0 HB3 LYS A 27 9.477 4.281 -12.455 1.00 0.00 H new ATOM 0 HG2 LYS A 27 10.744 6.833 -11.352 1.00 0.00 H new ATOM 0 HG3 LYS A 27 9.074 6.412 -11.031 1.00 0.00 H new ATOM 0 HD2 LYS A 27 11.404 4.511 -10.465 1.00 0.00 H new ATOM 0 HD3 LYS A 27 10.762 5.613 -9.263 1.00 0.00 H new ATOM 0 HE2 LYS A 27 8.428 4.573 -9.790 1.00 0.00 H new ATOM 0 HE3 LYS A 27 9.301 3.319 -10.647 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 8.909 2.694 -8.341 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 10.575 2.860 -8.623 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 9.729 4.075 -7.792 1.00 0.00 H new ATOM 861 N SER A 28 11.207 3.419 -15.009 1.00 0.00 N ATOM 862 CA SER A 28 11.278 2.058 -15.618 1.00 0.00 C ATOM 863 C SER A 28 12.703 1.779 -16.126 1.00 0.00 C ATOM 864 O SER A 28 13.199 0.659 -16.010 1.00 0.00 O ATOM 865 CB SER A 28 10.294 1.958 -16.788 1.00 0.00 C ATOM 866 OG SER A 28 9.044 2.512 -16.399 1.00 0.00 O ATOM 0 H SER A 28 10.930 4.167 -15.644 1.00 0.00 H new ATOM 0 HA SER A 28 11.016 1.321 -14.858 1.00 0.00 H new ATOM 0 HB2 SER A 28 10.687 2.490 -17.655 1.00 0.00 H new ATOM 0 HB3 SER A 28 10.167 0.917 -17.084 1.00 0.00 H new ATOM 0 HG SER A 28 8.386 2.365 -17.110 1.00 0.00 H new ATOM 867 N LEU A 29 13.378 2.764 -16.687 1.00 0.00 N ATOM 868 CA LEU A 29 14.767 2.516 -17.194 1.00 0.00 C ATOM 869 C LEU A 29 15.731 2.416 -16.008 1.00 0.00 C ATOM 870 O LEU A 29 16.497 1.463 -15.896 1.00 0.00 O ATOM 871 CB LEU A 29 15.213 3.660 -18.116 1.00 0.00 C ATOM 872 CG LEU A 29 14.246 3.778 -19.297 1.00 0.00 C ATOM 873 CD1 LEU A 29 14.616 5.000 -20.139 1.00 0.00 C ATOM 874 CD2 LEU A 29 14.342 2.520 -20.163 1.00 0.00 C ATOM 0 H LEU A 29 13.030 3.714 -16.813 1.00 0.00 H new ATOM 0 HA LEU A 29 14.774 1.584 -17.759 1.00 0.00 H new ATOM 0 HB2 LEU A 29 15.240 4.598 -17.561 1.00 0.00 H new ATOM 0 HB3 LEU A 29 16.224 3.475 -18.479 1.00 0.00 H new ATOM 0 HG LEU A 29 13.228 3.887 -18.922 1.00 0.00 H new ATOM 0 HD11 LEU A 29 13.928 5.084 -20.980 1.00 0.00 H new ATOM 0 HD12 LEU A 29 14.551 5.898 -19.525 1.00 0.00 H new ATOM 0 HD13 LEU A 29 15.634 4.890 -20.513 1.00 0.00 H new ATOM 0 HD21 LEU A 29 13.654 2.604 -21.004 1.00 0.00 H new ATOM 0 HD22 LEU A 29 15.360 2.413 -20.537 1.00 0.00 H new ATOM 0 HD23 LEU A 29 14.081 1.646 -19.566 1.00 0.00 H new ATOM 875 N HIS A 30 15.713 3.376 -15.117 1.00 0.00 N ATOM 876 CA HIS A 30 16.637 3.316 -13.936 1.00 0.00 C ATOM 877 C HIS A 30 16.460 1.985 -13.178 1.00 0.00 C ATOM 878 O HIS A 30 17.392 1.509 -12.533 1.00 0.00 O ATOM 879 CB HIS A 30 16.354 4.480 -12.977 1.00 0.00 C ATOM 880 CG HIS A 30 17.578 4.754 -12.148 1.00 0.00 C ATOM 881 ND1 HIS A 30 17.589 4.592 -10.771 1.00 0.00 N ATOM 882 CD2 HIS A 30 18.838 5.181 -12.485 1.00 0.00 C ATOM 883 CE1 HIS A 30 18.821 4.917 -10.335 1.00 0.00 C ATOM 884 NE2 HIS A 30 19.621 5.283 -11.340 1.00 0.00 N ATOM 0 H HIS A 30 15.105 4.194 -15.153 1.00 0.00 H new ATOM 0 HA HIS A 30 17.660 3.388 -14.305 1.00 0.00 H new ATOM 0 HB2 HIS A 30 16.076 5.371 -13.541 1.00 0.00 H new ATOM 0 HB3 HIS A 30 15.511 4.236 -12.331 1.00 0.00 H new ATOM 0 HD2 HIS A 30 19.171 5.404 -13.488 1.00 0.00 H new ATOM 0 HE1 HIS A 30 19.125 4.886 -9.299 1.00 0.00 H new ATOM 0 HE2 HIS A 30 20.597 5.575 -11.281 1.00 0.00 H new ATOM 885 N ALA A 31 15.292 1.372 -13.223 1.00 0.00 N ATOM 886 CA ALA A 31 15.102 0.084 -12.484 1.00 0.00 C ATOM 887 C ALA A 31 15.713 -1.079 -13.281 1.00 0.00 C ATOM 888 O ALA A 31 16.702 -1.671 -12.862 1.00 0.00 O ATOM 889 CB ALA A 31 13.608 -0.185 -12.263 1.00 0.00 C ATOM 0 H ALA A 31 14.475 1.707 -13.734 1.00 0.00 H new ATOM 0 HA ALA A 31 15.602 0.164 -11.519 1.00 0.00 H new ATOM 0 HB1 ALA A 31 13.483 -1.125 -11.725 1.00 0.00 H new ATOM 0 HB2 ALA A 31 13.174 0.628 -11.680 1.00 0.00 H new ATOM 0 HB3 ALA A 31 13.103 -0.250 -13.227 1.00 0.00 H new ATOM 890 N ILE A 32 15.131 -1.446 -14.405 1.00 0.00 N ATOM 891 CA ILE A 32 15.669 -2.590 -15.193 1.00 0.00 C ATOM 892 C ILE A 32 17.203 -2.505 -15.373 1.00 0.00 C ATOM 893 O ILE A 32 17.929 -3.415 -14.977 1.00 0.00 O ATOM 894 CB ILE A 32 14.995 -2.677 -16.576 1.00 0.00 C ATOM 895 CG1 ILE A 32 14.664 -1.291 -17.188 1.00 0.00 C ATOM 896 CG2 ILE A 32 13.710 -3.497 -16.463 1.00 0.00 C ATOM 897 CD1 ILE A 32 15.227 -1.205 -18.611 1.00 0.00 C ATOM 0 H ILE A 32 14.307 -0.997 -14.804 1.00 0.00 H new ATOM 0 HA ILE A 32 15.442 -3.491 -14.623 1.00 0.00 H new ATOM 0 HB ILE A 32 15.710 -3.157 -17.245 1.00 0.00 H new ATOM 0 HG12 ILE A 32 13.585 -1.138 -17.204 1.00 0.00 H new ATOM 0 HG13 ILE A 32 15.089 -0.500 -16.570 1.00 0.00 H new ATOM 0 HG21 ILE A 32 13.231 -3.560 -17.440 1.00 0.00 H new ATOM 0 HG22 ILE A 32 13.949 -4.500 -16.111 1.00 0.00 H new ATOM 0 HG23 ILE A 32 13.032 -3.016 -15.757 1.00 0.00 H new ATOM 0 HD11 ILE A 32 14.992 -0.230 -19.037 1.00 0.00 H new ATOM 0 HD12 ILE A 32 16.309 -1.338 -18.583 1.00 0.00 H new ATOM 0 HD13 ILE A 32 14.781 -1.987 -19.226 1.00 0.00 H new ATOM 898 N PHE A 33 17.710 -1.460 -15.980 1.00 0.00 N ATOM 899 CA PHE A 33 19.195 -1.357 -16.201 1.00 0.00 C ATOM 900 C PHE A 33 19.964 -1.367 -14.866 1.00 0.00 C ATOM 901 O PHE A 33 21.078 -1.884 -14.798 1.00 0.00 O ATOM 902 CB PHE A 33 19.526 -0.059 -16.955 1.00 0.00 C ATOM 903 CG PHE A 33 19.043 -0.169 -18.382 1.00 0.00 C ATOM 904 CD1 PHE A 33 19.830 -0.818 -19.340 1.00 0.00 C ATOM 905 CD2 PHE A 33 17.807 0.378 -18.747 1.00 0.00 C ATOM 906 CE1 PHE A 33 19.382 -0.920 -20.662 1.00 0.00 C ATOM 907 CE2 PHE A 33 17.359 0.276 -20.069 1.00 0.00 C ATOM 908 CZ PHE A 33 18.146 -0.374 -21.027 1.00 0.00 C ATOM 0 H PHE A 33 17.165 -0.673 -16.333 1.00 0.00 H new ATOM 0 HA PHE A 33 19.501 -2.222 -16.789 1.00 0.00 H new ATOM 0 HB2 PHE A 33 19.052 0.791 -16.464 1.00 0.00 H new ATOM 0 HB3 PHE A 33 20.601 0.121 -16.936 1.00 0.00 H new ATOM 0 HD1 PHE A 33 20.783 -1.240 -19.059 1.00 0.00 H new ATOM 0 HD2 PHE A 33 17.199 0.879 -18.008 1.00 0.00 H new ATOM 0 HE1 PHE A 33 19.990 -1.420 -21.401 1.00 0.00 H new ATOM 0 HE2 PHE A 33 16.406 0.699 -20.350 1.00 0.00 H new ATOM 0 HZ PHE A 33 17.800 -0.454 -22.047 1.00 0.00 H new ATOM 909 N SER A 34 19.422 -0.799 -13.809 1.00 0.00 N ATOM 910 CA SER A 34 20.177 -0.786 -12.506 1.00 0.00 C ATOM 911 C SER A 34 20.413 -2.221 -11.997 1.00 0.00 C ATOM 912 O SER A 34 21.420 -2.491 -11.346 1.00 0.00 O ATOM 913 CB SER A 34 19.404 0.004 -11.443 1.00 0.00 C ATOM 914 OG SER A 34 18.073 -0.486 -11.364 1.00 0.00 O ATOM 0 H SER A 34 18.506 -0.351 -13.789 1.00 0.00 H new ATOM 0 HA SER A 34 21.139 -0.306 -12.685 1.00 0.00 H new ATOM 0 HB2 SER A 34 19.896 -0.091 -10.475 1.00 0.00 H new ATOM 0 HB3 SER A 34 19.398 1.064 -11.695 1.00 0.00 H new ATOM 0 HG SER A 34 17.592 -0.261 -12.188 1.00 0.00 H new ATOM 915 N ARG A 35 19.515 -3.150 -12.262 1.00 0.00 N ATOM 916 CA ARG A 35 19.718 -4.557 -11.768 1.00 0.00 C ATOM 917 C ARG A 35 21.132 -5.056 -12.118 1.00 0.00 C ATOM 918 O ARG A 35 21.738 -5.804 -11.351 1.00 0.00 O ATOM 919 CB ARG A 35 18.684 -5.498 -12.408 1.00 0.00 C ATOM 920 CG ARG A 35 17.389 -5.493 -11.580 1.00 0.00 C ATOM 921 CD ARG A 35 16.212 -5.059 -12.458 1.00 0.00 C ATOM 922 NE ARG A 35 14.968 -5.737 -11.993 1.00 0.00 N ATOM 923 CZ ARG A 35 14.671 -6.928 -12.437 1.00 0.00 C ATOM 924 NH1 ARG A 35 14.118 -7.069 -13.611 1.00 0.00 N ATOM 925 NH2 ARG A 35 14.925 -7.979 -11.705 1.00 0.00 N ATOM 0 H ARG A 35 18.658 -2.996 -12.794 1.00 0.00 H new ATOM 0 HA ARG A 35 19.594 -4.556 -10.685 1.00 0.00 H new ATOM 0 HB2 ARG A 35 18.474 -5.181 -13.429 1.00 0.00 H new ATOM 0 HB3 ARG A 35 19.086 -6.510 -12.465 1.00 0.00 H new ATOM 0 HG2 ARG A 35 17.203 -6.487 -11.173 1.00 0.00 H new ATOM 0 HG3 ARG A 35 17.491 -4.815 -10.732 1.00 0.00 H new ATOM 0 HD2 ARG A 35 16.089 -3.977 -12.410 1.00 0.00 H new ATOM 0 HD3 ARG A 35 16.409 -5.312 -13.500 1.00 0.00 H new ATOM 0 HE ARG A 35 14.350 -5.271 -11.329 1.00 0.00 H new ATOM 0 HH11 ARG A 35 13.918 -6.248 -14.182 1.00 0.00 H new ATOM 0 HH12 ARG A 35 13.886 -8.000 -13.957 1.00 0.00 H new ATOM 0 HH21 ARG A 35 15.355 -7.869 -10.787 1.00 0.00 H new ATOM 0 HH22 ARG A 35 14.693 -8.910 -12.051 1.00 0.00 H new ATOM 926 N PHE A 36 21.674 -4.673 -13.257 1.00 0.00 N ATOM 927 CA PHE A 36 23.043 -5.148 -13.624 1.00 0.00 C ATOM 928 C PHE A 36 24.097 -4.127 -13.158 1.00 0.00 C ATOM 929 O PHE A 36 24.805 -3.537 -13.973 1.00 0.00 O ATOM 930 CB PHE A 36 23.140 -5.325 -15.143 1.00 0.00 C ATOM 931 CG PHE A 36 22.072 -6.285 -15.610 1.00 0.00 C ATOM 932 CD1 PHE A 36 22.241 -7.662 -15.426 1.00 0.00 C ATOM 933 CD2 PHE A 36 20.915 -5.797 -16.227 1.00 0.00 C ATOM 934 CE1 PHE A 36 21.251 -8.552 -15.860 1.00 0.00 C ATOM 935 CE2 PHE A 36 19.925 -6.688 -16.662 1.00 0.00 C ATOM 936 CZ PHE A 36 20.093 -8.065 -16.477 1.00 0.00 C ATOM 0 H PHE A 36 21.228 -4.058 -13.938 1.00 0.00 H new ATOM 0 HA PHE A 36 23.229 -6.104 -13.134 1.00 0.00 H new ATOM 0 HB2 PHE A 36 23.020 -4.362 -15.640 1.00 0.00 H new ATOM 0 HB3 PHE A 36 24.126 -5.703 -15.413 1.00 0.00 H new ATOM 0 HD1 PHE A 36 23.134 -8.038 -14.950 1.00 0.00 H new ATOM 0 HD2 PHE A 36 20.785 -4.734 -16.368 1.00 0.00 H new ATOM 0 HE1 PHE A 36 21.381 -9.615 -15.719 1.00 0.00 H new ATOM 0 HE2 PHE A 36 19.032 -6.312 -17.140 1.00 0.00 H new ATOM 0 HZ PHE A 36 19.329 -8.752 -16.810 1.00 0.00 H new ATOM 937 N GLY A 37 24.228 -3.909 -11.866 1.00 0.00 N ATOM 938 CA GLY A 37 25.247 -2.934 -11.376 1.00 0.00 C ATOM 939 C GLY A 37 24.569 -1.610 -10.996 1.00 0.00 C ATOM 940 O GLY A 37 23.492 -1.601 -10.404 1.00 0.00 O ATOM 0 H GLY A 37 23.675 -4.363 -11.139 1.00 0.00 H new ATOM 0 HA2 GLY A 37 25.770 -3.345 -10.512 1.00 0.00 H new ATOM 0 HA3 GLY A 37 25.996 -2.760 -12.148 1.00 0.00 H new ATOM 941 N GLN A 38 25.177 -0.488 -11.318 1.00 0.00 N ATOM 942 CA GLN A 38 24.558 0.822 -10.967 1.00 0.00 C ATOM 943 C GLN A 38 24.528 1.725 -12.208 1.00 0.00 C ATOM 944 O GLN A 38 25.394 1.629 -13.077 1.00 0.00 O ATOM 945 CB GLN A 38 25.382 1.496 -9.867 1.00 0.00 C ATOM 946 CG GLN A 38 24.657 2.753 -9.383 1.00 0.00 C ATOM 947 CD GLN A 38 25.538 3.493 -8.368 1.00 0.00 C ATOM 948 OE1 GLN A 38 26.339 4.450 -8.771 1.00 0.00 O flip ATOM 949 NE2 GLN A 38 25.498 3.194 -7.177 1.00 0.00 N flip ATOM 0 H GLN A 38 26.071 -0.429 -11.806 1.00 0.00 H new ATOM 0 HA GLN A 38 23.540 0.659 -10.613 1.00 0.00 H new ATOM 0 HB2 GLN A 38 25.531 0.807 -9.036 1.00 0.00 H new ATOM 0 HB3 GLN A 38 26.370 1.757 -10.246 1.00 0.00 H new ATOM 0 HG2 GLN A 38 24.432 3.404 -10.228 1.00 0.00 H new ATOM 0 HG3 GLN A 38 23.705 2.483 -8.926 1.00 0.00 H new ATOM 0 HE21 GLN A 38 24.877 2.450 -6.858 1.00 0.00 H new ATOM 0 HE22 GLN A 38 26.086 3.689 -6.507 1.00 0.00 H new ATOM 950 N ILE A 39 23.552 2.599 -12.313 1.00 0.00 N ATOM 951 CA ILE A 39 23.482 3.495 -13.505 1.00 0.00 C ATOM 952 C ILE A 39 24.020 4.885 -13.135 1.00 0.00 C ATOM 953 O ILE A 39 23.483 5.553 -12.253 1.00 0.00 O ATOM 954 CB ILE A 39 22.029 3.623 -13.964 1.00 0.00 C ATOM 955 CG1 ILE A 39 21.446 2.229 -14.213 1.00 0.00 C ATOM 956 CG2 ILE A 39 21.973 4.434 -15.259 1.00 0.00 C ATOM 957 CD1 ILE A 39 19.919 2.307 -14.202 1.00 0.00 C ATOM 0 H ILE A 39 22.808 2.727 -11.628 1.00 0.00 H new ATOM 0 HA ILE A 39 24.084 3.072 -14.309 1.00 0.00 H new ATOM 0 HB ILE A 39 21.449 4.128 -13.192 1.00 0.00 H new ATOM 0 HG12 ILE A 39 21.794 1.843 -15.171 1.00 0.00 H new ATOM 0 HG13 ILE A 39 21.791 1.536 -13.446 1.00 0.00 H new ATOM 0 HG21 ILE A 39 20.937 4.525 -15.587 1.00 0.00 H new ATOM 0 HG22 ILE A 39 22.387 5.427 -15.085 1.00 0.00 H new ATOM 0 HG23 ILE A 39 22.554 3.929 -16.030 1.00 0.00 H new ATOM 0 HD11 ILE A 39 19.503 1.315 -14.379 1.00 0.00 H new ATOM 0 HD12 ILE A 39 19.580 2.675 -13.233 1.00 0.00 H new ATOM 0 HD13 ILE A 39 19.584 2.986 -14.986 1.00 0.00 H new ATOM 958 N LEU A 40 25.066 5.343 -13.792 1.00 0.00 N ATOM 959 CA LEU A 40 25.613 6.699 -13.460 1.00 0.00 C ATOM 960 C LEU A 40 24.515 7.750 -13.673 1.00 0.00 C ATOM 961 O LEU A 40 24.340 8.652 -12.857 1.00 0.00 O ATOM 962 CB LEU A 40 26.812 7.032 -14.362 1.00 0.00 C ATOM 963 CG LEU A 40 28.115 6.761 -13.609 1.00 0.00 C ATOM 964 CD1 LEU A 40 28.294 5.254 -13.425 1.00 0.00 C ATOM 965 CD2 LEU A 40 29.292 7.317 -14.414 1.00 0.00 C ATOM 0 H LEU A 40 25.557 4.843 -14.533 1.00 0.00 H new ATOM 0 HA LEU A 40 25.942 6.702 -12.421 1.00 0.00 H new ATOM 0 HB2 LEU A 40 26.774 6.431 -15.270 1.00 0.00 H new ATOM 0 HB3 LEU A 40 26.769 8.077 -14.669 1.00 0.00 H new ATOM 0 HG LEU A 40 28.078 7.245 -12.633 1.00 0.00 H new ATOM 0 HD11 LEU A 40 29.223 5.061 -12.888 1.00 0.00 H new ATOM 0 HD12 LEU A 40 27.455 4.855 -12.854 1.00 0.00 H new ATOM 0 HD13 LEU A 40 28.332 4.770 -14.401 1.00 0.00 H new ATOM 0 HD21 LEU A 40 30.222 7.125 -13.879 1.00 0.00 H new ATOM 0 HD22 LEU A 40 29.328 6.831 -15.389 1.00 0.00 H new ATOM 0 HD23 LEU A 40 29.166 8.391 -14.548 1.00 0.00 H new ATOM 966 N ASP A 41 23.771 7.652 -14.752 1.00 0.00 N ATOM 967 CA ASP A 41 22.685 8.654 -15.001 1.00 0.00 C ATOM 968 C ASP A 41 21.951 8.330 -16.316 1.00 0.00 C ATOM 969 O ASP A 41 22.469 7.605 -17.166 1.00 0.00 O ATOM 970 CB ASP A 41 23.299 10.057 -15.095 1.00 0.00 C ATOM 971 CG ASP A 41 23.033 10.824 -13.798 1.00 0.00 C ATOM 972 OD1 ASP A 41 21.872 11.001 -13.466 1.00 0.00 O ATOM 973 OD2 ASP A 41 23.994 11.223 -13.161 1.00 0.00 O ATOM 0 H ASP A 41 23.868 6.928 -15.464 1.00 0.00 H new ATOM 0 HA ASP A 41 21.972 8.615 -14.178 1.00 0.00 H new ATOM 0 HB2 ASP A 41 24.372 9.984 -15.272 1.00 0.00 H new ATOM 0 HB3 ASP A 41 22.872 10.595 -15.941 1.00 0.00 H new ATOM 974 N ILE A 42 20.758 8.853 -16.504 1.00 0.00 N ATOM 975 CA ILE A 42 20.010 8.572 -17.763 1.00 0.00 C ATOM 976 C ILE A 42 19.561 9.900 -18.389 1.00 0.00 C ATOM 977 O ILE A 42 18.971 10.744 -17.715 1.00 0.00 O ATOM 978 CB ILE A 42 18.783 7.715 -17.447 1.00 0.00 C ATOM 979 CG1 ILE A 42 19.225 6.431 -16.741 1.00 0.00 C ATOM 980 CG2 ILE A 42 18.058 7.356 -18.746 1.00 0.00 C ATOM 981 CD1 ILE A 42 18.084 5.909 -15.867 1.00 0.00 C ATOM 0 H ILE A 42 20.277 9.459 -15.839 1.00 0.00 H new ATOM 0 HA ILE A 42 20.654 8.037 -18.461 1.00 0.00 H new ATOM 0 HB ILE A 42 18.109 8.275 -16.799 1.00 0.00 H new ATOM 0 HG12 ILE A 42 19.507 5.678 -17.477 1.00 0.00 H new ATOM 0 HG13 ILE A 42 20.106 6.625 -16.129 1.00 0.00 H new ATOM 0 HG21 ILE A 42 17.184 6.745 -18.518 1.00 0.00 H new ATOM 0 HG22 ILE A 42 17.741 8.269 -19.250 1.00 0.00 H new ATOM 0 HG23 ILE A 42 18.731 6.797 -19.396 1.00 0.00 H new ATOM 0 HD11 ILE A 42 18.400 4.995 -15.365 1.00 0.00 H new ATOM 0 HD12 ILE A 42 17.823 6.661 -15.122 1.00 0.00 H new ATOM 0 HD13 ILE A 42 17.215 5.699 -16.490 1.00 0.00 H new ATOM 982 N LEU A 43 19.828 10.114 -19.660 1.00 0.00 N ATOM 983 CA LEU A 43 19.414 11.395 -20.301 1.00 0.00 C ATOM 984 C LEU A 43 18.245 11.143 -21.265 1.00 0.00 C ATOM 985 O LEU A 43 18.385 10.418 -22.249 1.00 0.00 O ATOM 986 CB LEU A 43 20.596 11.981 -21.079 1.00 0.00 C ATOM 987 CG LEU A 43 21.780 12.224 -20.125 1.00 0.00 C ATOM 988 CD1 LEU A 43 23.004 11.440 -20.606 1.00 0.00 C ATOM 989 CD2 LEU A 43 22.122 13.719 -20.093 1.00 0.00 C ATOM 0 H LEU A 43 20.312 9.458 -20.273 1.00 0.00 H new ATOM 0 HA LEU A 43 19.098 12.096 -19.529 1.00 0.00 H new ATOM 0 HB2 LEU A 43 20.893 11.299 -21.875 1.00 0.00 H new ATOM 0 HB3 LEU A 43 20.302 12.917 -21.554 1.00 0.00 H new ATOM 0 HG LEU A 43 21.502 11.890 -19.125 1.00 0.00 H new ATOM 0 HD11 LEU A 43 23.839 11.616 -19.927 1.00 0.00 H new ATOM 0 HD12 LEU A 43 22.770 10.376 -20.625 1.00 0.00 H new ATOM 0 HD13 LEU A 43 23.276 11.770 -21.609 1.00 0.00 H new ATOM 0 HD21 LEU A 43 22.960 13.886 -19.417 1.00 0.00 H new ATOM 0 HD22 LEU A 43 22.392 14.052 -21.095 1.00 0.00 H new ATOM 0 HD23 LEU A 43 21.257 14.283 -19.744 1.00 0.00 H new ATOM 990 N VAL A 44 17.095 11.730 -21.012 1.00 0.00 N ATOM 991 CA VAL A 44 15.933 11.522 -21.927 1.00 0.00 C ATOM 992 C VAL A 44 15.607 12.855 -22.615 1.00 0.00 C ATOM 993 O VAL A 44 16.006 13.917 -22.139 1.00 0.00 O ATOM 994 CB VAL A 44 14.711 11.047 -21.129 1.00 0.00 C ATOM 995 CG1 VAL A 44 13.643 10.522 -22.090 1.00 0.00 C ATOM 996 CG2 VAL A 44 15.116 9.924 -20.168 1.00 0.00 C ATOM 0 H VAL A 44 16.916 12.340 -20.215 1.00 0.00 H new ATOM 0 HA VAL A 44 16.183 10.764 -22.670 1.00 0.00 H new ATOM 0 HB VAL A 44 14.314 11.887 -20.558 1.00 0.00 H new ATOM 0 HG11 VAL A 44 12.776 10.185 -21.522 1.00 0.00 H new ATOM 0 HG12 VAL A 44 13.343 11.318 -22.771 1.00 0.00 H new ATOM 0 HG13 VAL A 44 14.048 9.688 -22.663 1.00 0.00 H new ATOM 0 HG21 VAL A 44 14.243 9.593 -19.606 1.00 0.00 H new ATOM 0 HG22 VAL A 44 15.520 9.086 -20.737 1.00 0.00 H new ATOM 0 HG23 VAL A 44 15.874 10.292 -19.477 1.00 0.00 H new ATOM 997 N SER A 45 14.898 12.835 -23.723 1.00 0.00 N ATOM 998 CA SER A 45 14.573 14.119 -24.413 1.00 0.00 C ATOM 999 C SER A 45 13.230 13.999 -25.149 1.00 0.00 C ATOM 1000 O SER A 45 12.680 12.907 -25.283 1.00 0.00 O ATOM 1001 CB SER A 45 15.676 14.447 -25.420 1.00 0.00 C ATOM 1002 OG SER A 45 16.912 13.927 -24.949 1.00 0.00 O ATOM 0 H SER A 45 14.536 11.993 -24.171 1.00 0.00 H new ATOM 0 HA SER A 45 14.502 14.914 -23.671 1.00 0.00 H new ATOM 0 HB2 SER A 45 15.435 14.019 -26.393 1.00 0.00 H new ATOM 0 HB3 SER A 45 15.751 15.526 -25.556 1.00 0.00 H new ATOM 0 HG SER A 45 17.382 13.483 -25.685 1.00 0.00 H new ATOM 1003 N ARG A 46 12.690 15.097 -25.634 1.00 0.00 N ATOM 1004 CA ARG A 46 11.389 15.030 -26.357 1.00 0.00 C ATOM 1005 C ARG A 46 11.454 15.902 -27.622 1.00 0.00 C ATOM 1006 O ARG A 46 10.485 16.575 -27.971 1.00 0.00 O ATOM 1007 CB ARG A 46 10.270 15.540 -25.444 1.00 0.00 C ATOM 1008 CG ARG A 46 10.629 16.933 -24.924 1.00 0.00 C ATOM 1009 CD ARG A 46 9.349 17.685 -24.550 1.00 0.00 C ATOM 1010 NE ARG A 46 8.644 16.953 -23.459 1.00 0.00 N ATOM 1011 CZ ARG A 46 8.317 17.578 -22.361 1.00 0.00 C ATOM 1012 NH1 ARG A 46 9.152 17.615 -21.359 1.00 0.00 N ATOM 1013 NH2 ARG A 46 7.155 18.164 -22.264 1.00 0.00 N ATOM 0 H ARG A 46 13.097 16.029 -25.557 1.00 0.00 H new ATOM 0 HA ARG A 46 11.187 13.997 -26.640 1.00 0.00 H new ATOM 0 HB2 ARG A 46 9.328 15.576 -25.991 1.00 0.00 H new ATOM 0 HB3 ARG A 46 10.127 14.854 -24.609 1.00 0.00 H new ATOM 0 HG2 ARG A 46 11.282 16.851 -24.055 1.00 0.00 H new ATOM 0 HG3 ARG A 46 11.179 17.486 -25.685 1.00 0.00 H new ATOM 0 HD2 ARG A 46 9.591 18.697 -24.226 1.00 0.00 H new ATOM 0 HD3 ARG A 46 8.700 17.775 -25.421 1.00 0.00 H new ATOM 0 HE ARG A 46 8.418 15.965 -23.571 1.00 0.00 H new ATOM 0 HH11 ARG A 46 10.060 17.156 -21.434 1.00 0.00 H new ATOM 0 HH12 ARG A 46 8.897 18.103 -20.501 1.00 0.00 H new ATOM 0 HH21 ARG A 46 6.502 18.134 -23.047 1.00 0.00 H new ATOM 0 HH22 ARG A 46 6.900 18.652 -21.405 1.00 0.00 H new ATOM 1014 N SER A 47 12.567 15.899 -28.327 1.00 0.00 N ATOM 1015 CA SER A 47 12.662 16.726 -29.569 1.00 0.00 C ATOM 1016 C SER A 47 12.177 15.885 -30.760 1.00 0.00 C ATOM 1017 O SER A 47 11.855 14.708 -30.600 1.00 0.00 O ATOM 1018 CB SER A 47 14.113 17.161 -29.801 1.00 0.00 C ATOM 1019 OG SER A 47 14.949 16.011 -29.828 1.00 0.00 O ATOM 0 H SER A 47 13.403 15.363 -28.095 1.00 0.00 H new ATOM 0 HA SER A 47 12.043 17.617 -29.464 1.00 0.00 H new ATOM 0 HB2 SER A 47 14.195 17.707 -30.741 1.00 0.00 H new ATOM 0 HB3 SER A 47 14.433 17.839 -29.010 1.00 0.00 H new ATOM 0 HG SER A 47 15.878 16.285 -29.978 1.00 0.00 H new ATOM 1020 N LEU A 48 12.108 16.450 -31.947 1.00 0.00 N ATOM 1021 CA LEU A 48 11.632 15.639 -33.117 1.00 0.00 C ATOM 1022 C LEU A 48 12.549 14.424 -33.304 1.00 0.00 C ATOM 1023 O LEU A 48 12.092 13.282 -33.283 1.00 0.00 O ATOM 1024 CB LEU A 48 11.642 16.479 -34.399 1.00 0.00 C ATOM 1025 CG LEU A 48 10.663 15.883 -35.416 1.00 0.00 C ATOM 1026 CD1 LEU A 48 9.928 17.014 -36.142 1.00 0.00 C ATOM 1027 CD2 LEU A 48 11.432 15.037 -36.434 1.00 0.00 C ATOM 0 H LEU A 48 12.355 17.418 -32.153 1.00 0.00 H new ATOM 0 HA LEU A 48 10.612 15.311 -32.919 1.00 0.00 H new ATOM 0 HB2 LEU A 48 11.364 17.508 -34.173 1.00 0.00 H new ATOM 0 HB3 LEU A 48 12.647 16.505 -34.820 1.00 0.00 H new ATOM 0 HG LEU A 48 9.940 15.255 -34.896 1.00 0.00 H new ATOM 0 HD11 LEU A 48 9.232 16.590 -36.865 1.00 0.00 H new ATOM 0 HD12 LEU A 48 9.378 17.614 -35.417 1.00 0.00 H new ATOM 0 HD13 LEU A 48 10.651 17.644 -36.660 1.00 0.00 H new ATOM 0 HD21 LEU A 48 10.734 14.614 -37.157 1.00 0.00 H new ATOM 0 HD22 LEU A 48 12.157 15.663 -36.954 1.00 0.00 H new ATOM 0 HD23 LEU A 48 11.953 14.231 -35.918 1.00 0.00 H new ATOM 1028 N LYS A 49 13.835 14.638 -33.486 1.00 0.00 N ATOM 1029 CA LYS A 49 14.762 13.474 -33.671 1.00 0.00 C ATOM 1030 C LYS A 49 14.696 12.567 -32.435 1.00 0.00 C ATOM 1031 O LYS A 49 14.699 11.342 -32.553 1.00 0.00 O ATOM 1032 CB LYS A 49 16.204 13.963 -33.862 1.00 0.00 C ATOM 1033 CG LYS A 49 16.325 14.691 -35.202 1.00 0.00 C ATOM 1034 CD LYS A 49 17.644 15.464 -35.247 1.00 0.00 C ATOM 1035 CE LYS A 49 18.746 14.559 -35.800 1.00 0.00 C ATOM 1036 NZ LYS A 49 19.908 15.391 -36.220 1.00 0.00 N ATOM 0 H LYS A 49 14.277 15.557 -33.514 1.00 0.00 H new ATOM 0 HA LYS A 49 14.455 12.919 -34.557 1.00 0.00 H new ATOM 0 HB2 LYS A 49 16.483 14.631 -33.047 1.00 0.00 H new ATOM 0 HB3 LYS A 49 16.892 13.118 -33.832 1.00 0.00 H new ATOM 0 HG2 LYS A 49 16.283 13.974 -36.022 1.00 0.00 H new ATOM 0 HG3 LYS A 49 15.486 15.375 -35.333 1.00 0.00 H new ATOM 0 HD2 LYS A 49 17.538 16.350 -35.873 1.00 0.00 H new ATOM 0 HD3 LYS A 49 17.910 15.810 -34.248 1.00 0.00 H new ATOM 0 HE2 LYS A 49 19.055 13.840 -35.042 1.00 0.00 H new ATOM 0 HE3 LYS A 49 18.370 13.986 -36.648 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 20.658 14.776 -36.596 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 19.607 16.061 -36.957 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 20.272 15.918 -35.401 1.00 0.00 H new ATOM 1037 N MET A 50 14.638 13.133 -31.248 1.00 0.00 N ATOM 1038 CA MET A 50 14.575 12.285 -30.021 1.00 0.00 C ATOM 1039 C MET A 50 13.114 12.182 -29.548 1.00 0.00 C ATOM 1040 O MET A 50 12.784 12.563 -28.426 1.00 0.00 O ATOM 1041 CB MET A 50 15.439 12.918 -28.921 1.00 0.00 C ATOM 1042 CG MET A 50 16.306 11.845 -28.257 1.00 0.00 C ATOM 1043 SD MET A 50 17.950 12.523 -27.916 1.00 0.00 S ATOM 1044 CE MET A 50 18.866 11.492 -29.089 1.00 0.00 C ATOM 0 H MET A 50 14.632 14.139 -31.082 1.00 0.00 H new ATOM 0 HA MET A 50 14.951 11.286 -30.242 1.00 0.00 H new ATOM 0 HB2 MET A 50 16.072 13.697 -29.347 1.00 0.00 H new ATOM 0 HB3 MET A 50 14.802 13.396 -28.176 1.00 0.00 H new ATOM 0 HG2 MET A 50 15.841 11.508 -27.331 1.00 0.00 H new ATOM 0 HG3 MET A 50 16.388 10.974 -28.908 1.00 0.00 H new ATOM 0 HE1 MET A 50 19.935 11.588 -28.900 1.00 0.00 H new ATOM 0 HE2 MET A 50 18.569 10.450 -28.967 1.00 0.00 H new ATOM 0 HE3 MET A 50 18.646 11.816 -30.106 1.00 0.00 H new ATOM 1045 N ARG A 51 12.227 11.674 -30.379 1.00 0.00 N ATOM 1046 CA ARG A 51 10.799 11.557 -29.962 1.00 0.00 C ATOM 1047 C ARG A 51 10.498 10.103 -29.558 1.00 0.00 C ATOM 1048 O ARG A 51 9.576 9.481 -30.082 1.00 0.00 O ATOM 1049 CB ARG A 51 9.892 11.964 -31.127 1.00 0.00 C ATOM 1050 CG ARG A 51 8.679 12.726 -30.591 1.00 0.00 C ATOM 1051 CD ARG A 51 8.963 14.228 -30.629 1.00 0.00 C ATOM 1052 NE ARG A 51 7.688 14.971 -30.829 1.00 0.00 N ATOM 1053 CZ ARG A 51 7.046 15.455 -29.801 1.00 0.00 C ATOM 1054 NH1 ARG A 51 6.668 14.662 -28.835 1.00 0.00 N ATOM 1055 NH2 ARG A 51 6.781 16.731 -29.739 1.00 0.00 N ATOM 0 H ARG A 51 12.434 11.339 -31.320 1.00 0.00 H new ATOM 0 HA ARG A 51 10.614 12.214 -29.112 1.00 0.00 H new ATOM 0 HB2 ARG A 51 10.444 12.587 -31.830 1.00 0.00 H new ATOM 0 HB3 ARG A 51 9.566 11.079 -31.674 1.00 0.00 H new ATOM 0 HG2 ARG A 51 7.798 12.496 -31.190 1.00 0.00 H new ATOM 0 HG3 ARG A 51 8.461 12.412 -29.570 1.00 0.00 H new ATOM 0 HD2 ARG A 51 9.437 14.543 -29.699 1.00 0.00 H new ATOM 0 HD3 ARG A 51 9.660 14.457 -31.436 1.00 0.00 H new ATOM 0 HE ARG A 51 7.316 15.102 -31.770 1.00 0.00 H new ATOM 0 HH11 ARG A 51 6.875 13.664 -28.884 1.00 0.00 H new ATOM 0 HH12 ARG A 51 6.166 15.040 -28.032 1.00 0.00 H new ATOM 0 HH21 ARG A 51 7.076 17.350 -30.494 1.00 0.00 H new ATOM 0 HH22 ARG A 51 6.279 17.109 -28.936 1.00 0.00 H new ATOM 1056 N GLY A 52 11.254 9.545 -28.637 1.00 0.00 N ATOM 1057 CA GLY A 52 10.997 8.137 -28.215 1.00 0.00 C ATOM 1058 C GLY A 52 12.330 7.385 -28.096 1.00 0.00 C ATOM 1059 O GLY A 52 12.555 6.390 -28.784 1.00 0.00 O ATOM 0 H GLY A 52 12.032 10.005 -28.165 1.00 0.00 H new ATOM 0 HA2 GLY A 52 10.473 8.123 -27.259 1.00 0.00 H new ATOM 0 HA3 GLY A 52 10.351 7.641 -28.940 1.00 0.00 H new ATOM 1060 N GLN A 53 13.223 7.834 -27.238 1.00 0.00 N ATOM 1061 CA GLN A 53 14.537 7.130 -27.093 1.00 0.00 C ATOM 1062 C GLN A 53 15.372 7.792 -25.981 1.00 0.00 C ATOM 1063 O GLN A 53 15.208 8.978 -25.696 1.00 0.00 O ATOM 1064 CB GLN A 53 15.300 7.209 -28.419 1.00 0.00 C ATOM 1065 CG GLN A 53 15.502 8.674 -28.811 1.00 0.00 C ATOM 1066 CD GLN A 53 15.406 8.815 -30.336 1.00 0.00 C ATOM 1067 OE1 GLN A 53 16.429 9.276 -31.015 1.00 0.00 O flip ATOM 1068 NE2 GLN A 53 14.376 8.498 -30.925 1.00 0.00 N flip ATOM 0 H GLN A 53 13.098 8.650 -26.639 1.00 0.00 H new ATOM 0 HA GLN A 53 14.358 6.087 -26.830 1.00 0.00 H new ATOM 0 HB2 GLN A 53 16.265 6.711 -28.325 1.00 0.00 H new ATOM 0 HB3 GLN A 53 14.747 6.687 -29.200 1.00 0.00 H new ATOM 0 HG2 GLN A 53 14.748 9.297 -28.330 1.00 0.00 H new ATOM 0 HG3 GLN A 53 16.474 9.024 -28.464 1.00 0.00 H new ATOM 0 HE21 GLN A 53 13.578 8.139 -30.400 1.00 0.00 H new ATOM 0 HE22 GLN A 53 14.318 8.594 -31.939 1.00 0.00 H new ATOM 1069 N ALA A 54 16.260 7.059 -25.343 1.00 0.00 N ATOM 1070 CA ALA A 54 17.082 7.672 -24.258 1.00 0.00 C ATOM 1071 C ALA A 54 18.459 6.992 -24.191 1.00 0.00 C ATOM 1072 O ALA A 54 18.724 6.038 -24.915 1.00 0.00 O ATOM 1073 CB ALA A 54 16.365 7.501 -22.917 1.00 0.00 C ATOM 0 H ALA A 54 16.446 6.073 -25.528 1.00 0.00 H new ATOM 0 HA ALA A 54 17.218 8.732 -24.470 1.00 0.00 H new ATOM 0 HB1 ALA A 54 16.965 7.948 -22.124 1.00 0.00 H new ATOM 0 HB2 ALA A 54 15.393 7.993 -22.959 1.00 0.00 H new ATOM 0 HB3 ALA A 54 16.226 6.440 -22.712 1.00 0.00 H new ATOM 1074 N PHE A 55 19.342 7.463 -23.337 1.00 0.00 N ATOM 1075 CA PHE A 55 20.690 6.833 -23.236 1.00 0.00 C ATOM 1076 C PHE A 55 20.967 6.466 -21.771 1.00 0.00 C ATOM 1077 O PHE A 55 20.568 7.188 -20.859 1.00 0.00 O ATOM 1078 CB PHE A 55 21.752 7.818 -23.726 1.00 0.00 C ATOM 1079 CG PHE A 55 21.385 8.312 -25.105 1.00 0.00 C ATOM 1080 CD1 PHE A 55 20.404 9.299 -25.257 1.00 0.00 C ATOM 1081 CD2 PHE A 55 22.027 7.783 -26.230 1.00 0.00 C ATOM 1082 CE1 PHE A 55 20.065 9.757 -26.536 1.00 0.00 C ATOM 1083 CE2 PHE A 55 21.688 8.241 -27.510 1.00 0.00 C ATOM 1084 CZ PHE A 55 20.707 9.228 -27.663 1.00 0.00 C ATOM 0 H PHE A 55 19.183 8.253 -22.711 1.00 0.00 H new ATOM 0 HA PHE A 55 20.721 5.934 -23.851 1.00 0.00 H new ATOM 0 HB2 PHE A 55 21.829 8.658 -23.036 1.00 0.00 H new ATOM 0 HB3 PHE A 55 22.728 7.334 -23.750 1.00 0.00 H new ATOM 0 HD1 PHE A 55 19.909 9.707 -24.388 1.00 0.00 H new ATOM 0 HD2 PHE A 55 22.784 7.022 -26.112 1.00 0.00 H new ATOM 0 HE1 PHE A 55 19.308 10.518 -26.654 1.00 0.00 H new ATOM 0 HE2 PHE A 55 22.183 7.833 -28.378 1.00 0.00 H new ATOM 0 HZ PHE A 55 20.445 9.581 -28.649 1.00 0.00 H new ATOM 1085 N VAL A 56 21.639 5.363 -21.519 1.00 0.00 N ATOM 1086 CA VAL A 56 21.923 4.978 -20.105 1.00 0.00 C ATOM 1087 C VAL A 56 23.437 4.844 -19.900 1.00 0.00 C ATOM 1088 O VAL A 56 24.154 4.379 -20.786 1.00 0.00 O ATOM 1089 CB VAL A 56 21.253 3.639 -19.792 1.00 0.00 C ATOM 1090 CG1 VAL A 56 21.399 3.332 -18.300 1.00 0.00 C ATOM 1091 CG2 VAL A 56 19.768 3.711 -20.152 1.00 0.00 C ATOM 0 H VAL A 56 21.998 4.722 -22.227 1.00 0.00 H new ATOM 0 HA VAL A 56 21.531 5.748 -19.440 1.00 0.00 H new ATOM 0 HB VAL A 56 21.730 2.852 -20.376 1.00 0.00 H new ATOM 0 HG11 VAL A 56 20.922 2.378 -18.076 1.00 0.00 H new ATOM 0 HG12 VAL A 56 22.457 3.278 -18.041 1.00 0.00 H new ATOM 0 HG13 VAL A 56 20.923 4.121 -17.718 1.00 0.00 H new ATOM 0 HG21 VAL A 56 19.293 2.756 -19.928 1.00 0.00 H new ATOM 0 HG22 VAL A 56 19.290 4.499 -19.570 1.00 0.00 H new ATOM 0 HG23 VAL A 56 19.661 3.929 -21.215 1.00 0.00 H new ATOM 1092 N ILE A 57 23.945 5.229 -18.748 1.00 0.00 N ATOM 1093 CA ILE A 57 25.407 5.105 -18.501 1.00 0.00 C ATOM 1094 C ILE A 57 25.638 4.029 -17.432 1.00 0.00 C ATOM 1095 O ILE A 57 24.806 3.843 -16.545 1.00 0.00 O ATOM 1096 CB ILE A 57 25.960 6.445 -18.012 1.00 0.00 C ATOM 1097 CG1 ILE A 57 25.654 7.530 -19.047 1.00 0.00 C ATOM 1098 CG2 ILE A 57 27.475 6.337 -17.824 1.00 0.00 C ATOM 1099 CD1 ILE A 57 25.410 8.862 -18.336 1.00 0.00 C ATOM 0 H ILE A 57 23.406 5.621 -17.976 1.00 0.00 H new ATOM 0 HA ILE A 57 25.917 4.825 -19.423 1.00 0.00 H new ATOM 0 HB ILE A 57 25.493 6.704 -17.061 1.00 0.00 H new ATOM 0 HG12 ILE A 57 26.486 7.626 -19.745 1.00 0.00 H new ATOM 0 HG13 ILE A 57 24.777 7.252 -19.632 1.00 0.00 H new ATOM 0 HG21 ILE A 57 27.867 7.292 -17.476 1.00 0.00 H new ATOM 0 HG22 ILE A 57 27.696 5.564 -17.088 1.00 0.00 H new ATOM 0 HG23 ILE A 57 27.942 6.078 -18.774 1.00 0.00 H new ATOM 0 HD11 ILE A 57 25.192 9.634 -19.074 1.00 0.00 H new ATOM 0 HD12 ILE A 57 24.564 8.762 -17.656 1.00 0.00 H new ATOM 0 HD13 ILE A 57 26.299 9.141 -17.771 1.00 0.00 H new ATOM 1100 N PHE A 58 26.736 3.310 -17.494 1.00 0.00 N ATOM 1101 CA PHE A 58 26.982 2.254 -16.473 1.00 0.00 C ATOM 1102 C PHE A 58 28.362 2.461 -15.836 1.00 0.00 C ATOM 1103 O PHE A 58 29.299 2.905 -16.495 1.00 0.00 O ATOM 1104 CB PHE A 58 26.925 0.879 -17.140 1.00 0.00 C ATOM 1105 CG PHE A 58 25.568 0.692 -17.774 1.00 0.00 C ATOM 1106 CD1 PHE A 58 25.303 1.242 -19.033 1.00 0.00 C ATOM 1107 CD2 PHE A 58 24.573 -0.026 -17.099 1.00 0.00 C ATOM 1108 CE1 PHE A 58 24.043 1.074 -19.619 1.00 0.00 C ATOM 1109 CE2 PHE A 58 23.312 -0.194 -17.687 1.00 0.00 C ATOM 1110 CZ PHE A 58 23.048 0.356 -18.947 1.00 0.00 C ATOM 0 H PHE A 58 27.463 3.411 -18.203 1.00 0.00 H new ATOM 0 HA PHE A 58 26.218 2.314 -15.698 1.00 0.00 H new ATOM 0 HB2 PHE A 58 27.707 0.795 -17.895 1.00 0.00 H new ATOM 0 HB3 PHE A 58 27.107 0.096 -16.404 1.00 0.00 H new ATOM 0 HD1 PHE A 58 26.071 1.796 -19.553 1.00 0.00 H new ATOM 0 HD2 PHE A 58 24.777 -0.450 -16.127 1.00 0.00 H new ATOM 0 HE1 PHE A 58 23.839 1.499 -20.591 1.00 0.00 H new ATOM 0 HE2 PHE A 58 22.544 -0.748 -17.168 1.00 0.00 H new ATOM 0 HZ PHE A 58 22.076 0.226 -19.400 1.00 0.00 H new ATOM 1111 N LYS A 59 28.513 2.149 -14.563 1.00 0.00 N ATOM 1112 CA LYS A 59 29.848 2.335 -13.895 1.00 0.00 C ATOM 1113 C LYS A 59 30.954 1.692 -14.750 1.00 0.00 C ATOM 1114 O LYS A 59 32.047 2.240 -14.880 1.00 0.00 O ATOM 1115 CB LYS A 59 29.844 1.676 -12.508 1.00 0.00 C ATOM 1116 CG LYS A 59 29.121 2.583 -11.510 1.00 0.00 C ATOM 1117 CD LYS A 59 30.136 3.496 -10.820 1.00 0.00 C ATOM 1118 CE LYS A 59 29.695 3.753 -9.377 1.00 0.00 C ATOM 1119 NZ LYS A 59 30.636 4.712 -8.734 1.00 0.00 N ATOM 0 H LYS A 59 27.776 1.777 -13.964 1.00 0.00 H new ATOM 0 HA LYS A 59 30.036 3.403 -13.789 1.00 0.00 H new ATOM 0 HB2 LYS A 59 29.350 0.706 -12.557 1.00 0.00 H new ATOM 0 HB3 LYS A 59 30.867 1.497 -12.177 1.00 0.00 H new ATOM 0 HG2 LYS A 59 28.369 3.181 -12.025 1.00 0.00 H new ATOM 0 HG3 LYS A 59 28.596 1.980 -10.769 1.00 0.00 H new ATOM 0 HD2 LYS A 59 31.123 3.035 -10.833 1.00 0.00 H new ATOM 0 HD3 LYS A 59 30.218 4.439 -11.360 1.00 0.00 H new ATOM 0 HE2 LYS A 59 28.682 4.155 -9.361 1.00 0.00 H new ATOM 0 HE3 LYS A 59 29.675 2.817 -8.819 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 30.337 4.887 -7.753 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 31.596 4.311 -8.737 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 30.633 5.608 -9.262 1.00 0.00 H new ATOM 1120 N GLU A 60 30.694 0.545 -15.341 1.00 0.00 N ATOM 1121 CA GLU A 60 31.730 -0.109 -16.182 1.00 0.00 C ATOM 1122 C GLU A 60 31.121 -0.473 -17.545 1.00 0.00 C ATOM 1123 O GLU A 60 29.904 -0.432 -17.720 1.00 0.00 O ATOM 1124 CB GLU A 60 32.226 -1.380 -15.488 1.00 0.00 C ATOM 1125 CG GLU A 60 33.284 -1.013 -14.445 1.00 0.00 C ATOM 1126 CD GLU A 60 34.340 -2.117 -14.379 1.00 0.00 C ATOM 1127 OE1 GLU A 60 35.257 -2.081 -15.185 1.00 0.00 O ATOM 1128 OE2 GLU A 60 34.216 -2.978 -13.525 1.00 0.00 O ATOM 0 H GLU A 60 29.809 0.042 -15.272 1.00 0.00 H new ATOM 0 HA GLU A 60 32.568 0.574 -16.326 1.00 0.00 H new ATOM 0 HB2 GLU A 60 31.393 -1.895 -15.010 1.00 0.00 H new ATOM 0 HB3 GLU A 60 32.647 -2.067 -16.222 1.00 0.00 H new ATOM 0 HG2 GLU A 60 33.751 -0.063 -14.704 1.00 0.00 H new ATOM 0 HG3 GLU A 60 32.817 -0.883 -13.469 1.00 0.00 H new ATOM 1129 N VAL A 61 31.935 -0.829 -18.515 1.00 0.00 N ATOM 1130 CA VAL A 61 31.375 -1.194 -19.856 1.00 0.00 C ATOM 1131 C VAL A 61 30.687 -2.565 -19.772 1.00 0.00 C ATOM 1132 O VAL A 61 29.643 -2.782 -20.385 1.00 0.00 O ATOM 1133 CB VAL A 61 32.497 -1.247 -20.903 1.00 0.00 C ATOM 1134 CG1 VAL A 61 31.897 -1.524 -22.285 1.00 0.00 C ATOM 1135 CG2 VAL A 61 33.234 0.094 -20.924 1.00 0.00 C ATOM 0 H VAL A 61 32.951 -0.882 -18.436 1.00 0.00 H new ATOM 0 HA VAL A 61 30.648 -0.438 -20.152 1.00 0.00 H new ATOM 0 HB VAL A 61 33.196 -2.043 -20.648 1.00 0.00 H new ATOM 0 HG11 VAL A 61 32.695 -1.561 -23.027 1.00 0.00 H new ATOM 0 HG12 VAL A 61 31.371 -2.479 -22.269 1.00 0.00 H new ATOM 0 HG13 VAL A 61 31.197 -0.729 -22.544 1.00 0.00 H new ATOM 0 HG21 VAL A 61 34.031 0.059 -21.666 1.00 0.00 H new ATOM 0 HG22 VAL A 61 32.534 0.890 -21.180 1.00 0.00 H new ATOM 0 HG23 VAL A 61 33.662 0.289 -19.941 1.00 0.00 H new ATOM 1136 N SER A 62 31.244 -3.498 -19.031 1.00 0.00 N ATOM 1137 CA SER A 62 30.600 -4.850 -18.926 1.00 0.00 C ATOM 1138 C SER A 62 29.193 -4.717 -18.316 1.00 0.00 C ATOM 1139 O SER A 62 28.282 -5.449 -18.690 1.00 0.00 O ATOM 1140 CB SER A 62 31.445 -5.776 -18.043 1.00 0.00 C ATOM 1141 OG SER A 62 31.574 -5.202 -16.749 1.00 0.00 O ATOM 0 H SER A 62 32.107 -3.384 -18.500 1.00 0.00 H new ATOM 0 HA SER A 62 30.527 -5.275 -19.927 1.00 0.00 H new ATOM 0 HB2 SER A 62 30.977 -6.758 -17.973 1.00 0.00 H new ATOM 0 HB3 SER A 62 32.429 -5.923 -18.488 1.00 0.00 H new ATOM 0 HG SER A 62 32.112 -5.792 -16.181 1.00 0.00 H new ATOM 1142 N SER A 63 28.990 -3.814 -17.378 1.00 0.00 N ATOM 1143 CA SER A 63 27.627 -3.674 -16.759 1.00 0.00 C ATOM 1144 C SER A 63 26.570 -3.396 -17.845 1.00 0.00 C ATOM 1145 O SER A 63 25.441 -3.881 -17.758 1.00 0.00 O ATOM 1146 CB SER A 63 27.619 -2.520 -15.749 1.00 0.00 C ATOM 1147 OG SER A 63 28.317 -2.918 -14.575 1.00 0.00 O ATOM 0 H SER A 63 29.700 -3.176 -17.019 1.00 0.00 H new ATOM 0 HA SER A 63 27.388 -4.608 -16.250 1.00 0.00 H new ATOM 0 HB2 SER A 63 28.089 -1.638 -16.184 1.00 0.00 H new ATOM 0 HB3 SER A 63 26.594 -2.246 -15.501 1.00 0.00 H new ATOM 0 HG SER A 63 28.315 -2.182 -13.928 1.00 0.00 H new ATOM 1148 N ALA A 64 26.902 -2.636 -18.868 1.00 0.00 N ATOM 1149 CA ALA A 64 25.894 -2.354 -19.937 1.00 0.00 C ATOM 1150 C ALA A 64 25.718 -3.600 -20.813 1.00 0.00 C ATOM 1151 O ALA A 64 24.628 -3.857 -21.321 1.00 0.00 O ATOM 1152 CB ALA A 64 26.350 -1.171 -20.807 1.00 0.00 C ATOM 0 H ALA A 64 27.817 -2.206 -19.005 1.00 0.00 H new ATOM 0 HA ALA A 64 24.944 -2.097 -19.468 1.00 0.00 H new ATOM 0 HB1 ALA A 64 25.605 -0.979 -21.580 1.00 0.00 H new ATOM 0 HB2 ALA A 64 26.463 -0.284 -20.184 1.00 0.00 H new ATOM 0 HB3 ALA A 64 27.305 -1.410 -21.275 1.00 0.00 H new ATOM 1153 N THR A 65 26.760 -4.381 -21.011 1.00 0.00 N ATOM 1154 CA THR A 65 26.611 -5.596 -21.865 1.00 0.00 C ATOM 1155 C THR A 65 25.553 -6.534 -21.259 1.00 0.00 C ATOM 1156 O THR A 65 24.765 -7.141 -21.983 1.00 0.00 O ATOM 1157 CB THR A 65 27.948 -6.344 -21.979 1.00 0.00 C ATOM 1158 OG1 THR A 65 29.009 -5.403 -22.062 1.00 0.00 O ATOM 1159 CG2 THR A 65 27.941 -7.219 -23.234 1.00 0.00 C ATOM 0 H THR A 65 27.691 -4.228 -20.622 1.00 0.00 H new ATOM 0 HA THR A 65 26.296 -5.281 -22.860 1.00 0.00 H new ATOM 0 HB THR A 65 28.088 -6.974 -21.101 1.00 0.00 H new ATOM 0 HG1 THR A 65 29.863 -5.878 -22.133 1.00 0.00 H new ATOM 0 HG21 THR A 65 28.890 -7.749 -23.313 1.00 0.00 H new ATOM 0 HG22 THR A 65 27.127 -7.941 -23.170 1.00 0.00 H new ATOM 0 HG23 THR A 65 27.801 -6.592 -24.114 1.00 0.00 H new ATOM 1160 N ASN A 66 25.511 -6.670 -19.949 1.00 0.00 N ATOM 1161 CA ASN A 66 24.490 -7.573 -19.327 1.00 0.00 C ATOM 1162 C ASN A 66 23.106 -6.914 -19.411 1.00 0.00 C ATOM 1163 O ASN A 66 22.106 -7.587 -19.650 1.00 0.00 O ATOM 1164 CB ASN A 66 24.838 -7.840 -17.857 1.00 0.00 C ATOM 1165 CG ASN A 66 24.533 -9.303 -17.515 1.00 0.00 C ATOM 1166 OD1 ASN A 66 25.231 -10.264 -18.070 1.00 0.00 O flip ATOM 1167 ND2 ASN A 66 23.635 -9.583 -16.724 1.00 0.00 N flip ATOM 0 H ASN A 66 26.134 -6.199 -19.293 1.00 0.00 H new ATOM 0 HA ASN A 66 24.482 -8.520 -19.866 1.00 0.00 H new ATOM 0 HB2 ASN A 66 25.892 -7.626 -17.677 1.00 0.00 H new ATOM 0 HB3 ASN A 66 24.263 -7.177 -17.210 1.00 0.00 H new ATOM 0 HD21 ASN A 66 23.088 -8.840 -16.289 1.00 0.00 H new ATOM 0 HD22 ASN A 66 23.436 -10.559 -16.503 1.00 0.00 H new ATOM 1168 N ALA A 67 23.017 -5.613 -19.223 1.00 0.00 N ATOM 1169 CA ALA A 67 21.676 -4.940 -19.304 1.00 0.00 C ATOM 1170 C ALA A 67 21.144 -4.915 -20.756 1.00 0.00 C ATOM 1171 O ALA A 67 19.971 -4.616 -20.975 1.00 0.00 O ATOM 1172 CB ALA A 67 21.782 -3.497 -18.795 1.00 0.00 C ATOM 0 H ALA A 67 23.804 -4.996 -19.020 1.00 0.00 H new ATOM 0 HA ALA A 67 20.984 -5.510 -18.684 1.00 0.00 H new ATOM 0 HB1 ALA A 67 20.806 -3.017 -18.857 1.00 0.00 H new ATOM 0 HB2 ALA A 67 22.119 -3.501 -17.758 1.00 0.00 H new ATOM 0 HB3 ALA A 67 22.497 -2.947 -19.407 1.00 0.00 H new ATOM 1173 N LEU A 68 21.958 -5.203 -21.757 1.00 0.00 N ATOM 1174 CA LEU A 68 21.448 -5.162 -23.163 1.00 0.00 C ATOM 1175 C LEU A 68 21.004 -6.564 -23.610 1.00 0.00 C ATOM 1176 O LEU A 68 19.987 -6.713 -24.285 1.00 0.00 O ATOM 1177 CB LEU A 68 22.557 -4.661 -24.094 1.00 0.00 C ATOM 1178 CG LEU A 68 21.938 -4.036 -25.352 1.00 0.00 C ATOM 1179 CD1 LEU A 68 22.651 -2.721 -25.677 1.00 0.00 C ATOM 1180 CD2 LEU A 68 22.092 -5.001 -26.532 1.00 0.00 C ATOM 0 H LEU A 68 22.940 -5.461 -21.656 1.00 0.00 H new ATOM 0 HA LEU A 68 20.593 -4.487 -23.208 1.00 0.00 H new ATOM 0 HB2 LEU A 68 23.173 -3.925 -23.577 1.00 0.00 H new ATOM 0 HB3 LEU A 68 23.212 -5.487 -24.372 1.00 0.00 H new ATOM 0 HG LEU A 68 20.880 -3.842 -25.174 1.00 0.00 H new ATOM 0 HD11 LEU A 68 22.210 -2.279 -26.570 1.00 0.00 H new ATOM 0 HD12 LEU A 68 22.542 -2.032 -24.840 1.00 0.00 H new ATOM 0 HD13 LEU A 68 23.709 -2.915 -25.853 1.00 0.00 H new ATOM 0 HD21 LEU A 68 21.652 -4.557 -27.425 1.00 0.00 H new ATOM 0 HD22 LEU A 68 23.150 -5.196 -26.707 1.00 0.00 H new ATOM 0 HD23 LEU A 68 21.583 -5.938 -26.305 1.00 0.00 H new ATOM 1181 N ARG A 69 21.740 -7.597 -23.259 1.00 0.00 N ATOM 1182 CA ARG A 69 21.334 -8.977 -23.688 1.00 0.00 C ATOM 1183 C ARG A 69 20.049 -9.393 -22.959 1.00 0.00 C ATOM 1184 O ARG A 69 19.167 -10.016 -23.546 1.00 0.00 O ATOM 1185 CB ARG A 69 22.450 -9.982 -23.368 1.00 0.00 C ATOM 1186 CG ARG A 69 23.704 -9.632 -24.178 1.00 0.00 C ATOM 1187 CD ARG A 69 24.958 -9.829 -23.315 1.00 0.00 C ATOM 1188 NE ARG A 69 25.815 -10.886 -23.921 1.00 0.00 N ATOM 1189 CZ ARG A 69 25.360 -12.103 -24.048 1.00 0.00 C ATOM 1190 NH1 ARG A 69 25.337 -12.902 -23.016 1.00 0.00 N ATOM 1191 NH2 ARG A 69 24.928 -12.520 -25.206 1.00 0.00 N ATOM 0 H ARG A 69 22.593 -7.546 -22.702 1.00 0.00 H new ATOM 0 HA ARG A 69 21.156 -8.970 -24.763 1.00 0.00 H new ATOM 0 HB2 ARG A 69 22.676 -9.963 -22.302 1.00 0.00 H new ATOM 0 HB3 ARG A 69 22.122 -10.994 -23.606 1.00 0.00 H new ATOM 0 HG2 ARG A 69 23.761 -10.262 -25.066 1.00 0.00 H new ATOM 0 HG3 ARG A 69 23.648 -8.599 -24.523 1.00 0.00 H new ATOM 0 HD2 ARG A 69 25.513 -8.894 -23.241 1.00 0.00 H new ATOM 0 HD3 ARG A 69 24.674 -10.112 -22.301 1.00 0.00 H new ATOM 0 HE ARG A 69 26.758 -10.659 -24.237 1.00 0.00 H new ATOM 0 HH11 ARG A 69 25.674 -12.575 -22.111 1.00 0.00 H new ATOM 0 HH12 ARG A 69 24.982 -13.853 -23.115 1.00 0.00 H new ATOM 0 HH21 ARG A 69 24.946 -11.895 -26.012 1.00 0.00 H new ATOM 0 HH22 ARG A 69 24.572 -13.471 -25.305 1.00 0.00 H new ATOM 1192 N SER A 70 19.919 -9.067 -21.692 1.00 0.00 N ATOM 1193 CA SER A 70 18.679 -9.458 -20.947 1.00 0.00 C ATOM 1194 C SER A 70 17.471 -8.689 -21.507 1.00 0.00 C ATOM 1195 O SER A 70 16.373 -9.235 -21.605 1.00 0.00 O ATOM 1196 CB SER A 70 18.830 -9.138 -19.454 1.00 0.00 C ATOM 1197 OG SER A 70 19.604 -10.155 -18.832 1.00 0.00 O ATOM 0 H SER A 70 20.611 -8.552 -21.147 1.00 0.00 H new ATOM 0 HA SER A 70 18.524 -10.530 -21.070 1.00 0.00 H new ATOM 0 HB2 SER A 70 19.311 -8.169 -19.325 1.00 0.00 H new ATOM 0 HB3 SER A 70 17.849 -9.072 -18.983 1.00 0.00 H new ATOM 0 HG SER A 70 20.073 -9.781 -18.057 1.00 0.00 H new ATOM 1198 N MET A 71 17.639 -7.436 -21.878 1.00 0.00 N ATOM 1199 CA MET A 71 16.485 -6.664 -22.425 1.00 0.00 C ATOM 1200 C MET A 71 16.632 -6.508 -23.947 1.00 0.00 C ATOM 1201 O MET A 71 16.271 -5.474 -24.508 1.00 0.00 O ATOM 1202 CB MET A 71 16.447 -5.279 -21.774 1.00 0.00 C ATOM 1203 CG MET A 71 16.253 -5.429 -20.264 1.00 0.00 C ATOM 1204 SD MET A 71 14.619 -6.133 -19.931 1.00 0.00 S ATOM 1205 CE MET A 71 13.660 -4.625 -20.221 1.00 0.00 C ATOM 0 H MET A 71 18.520 -6.924 -21.824 1.00 0.00 H new ATOM 0 HA MET A 71 15.561 -7.199 -22.208 1.00 0.00 H new ATOM 0 HB2 MET A 71 17.373 -4.743 -21.981 1.00 0.00 H new ATOM 0 HB3 MET A 71 15.635 -4.688 -22.199 1.00 0.00 H new ATOM 0 HG2 MET A 71 17.029 -6.072 -19.849 1.00 0.00 H new ATOM 0 HG3 MET A 71 16.349 -4.459 -19.776 1.00 0.00 H new ATOM 0 HE1 MET A 71 12.995 -4.448 -19.375 1.00 0.00 H new ATOM 0 HE2 MET A 71 14.338 -3.779 -20.333 1.00 0.00 H new ATOM 0 HE3 MET A 71 13.069 -4.739 -21.130 1.00 0.00 H new ATOM 1206 N GLN A 72 17.144 -7.507 -24.637 1.00 0.00 N ATOM 1207 CA GLN A 72 17.288 -7.382 -26.123 1.00 0.00 C ATOM 1208 C GLN A 72 15.901 -7.495 -26.769 1.00 0.00 C ATOM 1209 O GLN A 72 15.305 -8.570 -26.792 1.00 0.00 O ATOM 1210 CB GLN A 72 18.197 -8.494 -26.667 1.00 0.00 C ATOM 1211 CG GLN A 72 18.402 -8.301 -28.172 1.00 0.00 C ATOM 1212 CD GLN A 72 19.746 -7.604 -28.423 1.00 0.00 C ATOM 1213 OE1 GLN A 72 20.777 -8.265 -28.527 1.00 0.00 O ATOM 1214 NE2 GLN A 72 19.797 -6.299 -28.525 1.00 0.00 N ATOM 0 H GLN A 72 17.463 -8.390 -24.239 1.00 0.00 H new ATOM 0 HA GLN A 72 17.735 -6.417 -26.360 1.00 0.00 H new ATOM 0 HB2 GLN A 72 19.158 -8.475 -26.154 1.00 0.00 H new ATOM 0 HB3 GLN A 72 17.751 -9.469 -26.473 1.00 0.00 H new ATOM 0 HG2 GLN A 72 18.381 -9.266 -28.679 1.00 0.00 H new ATOM 0 HG3 GLN A 72 17.589 -7.705 -28.587 1.00 0.00 H new ATOM 0 HE21 GLN A 72 18.944 -5.747 -28.439 1.00 0.00 H new ATOM 0 HE22 GLN A 72 20.690 -5.835 -28.690 1.00 0.00 H new ATOM 1215 N GLY A 73 15.365 -6.411 -27.289 1.00 0.00 N ATOM 1216 CA GLY A 73 14.013 -6.482 -27.917 1.00 0.00 C ATOM 1217 C GLY A 73 12.990 -6.909 -26.857 1.00 0.00 C ATOM 1218 O GLY A 73 12.526 -8.049 -26.855 1.00 0.00 O ATOM 0 H GLY A 73 15.805 -5.491 -27.303 1.00 0.00 H new ATOM 0 HA2 GLY A 73 13.740 -5.512 -28.334 1.00 0.00 H new ATOM 0 HA3 GLY A 73 14.019 -7.194 -28.743 1.00 0.00 H new ATOM 1219 N PHE A 74 12.633 -6.029 -25.945 1.00 0.00 N ATOM 1220 CA PHE A 74 11.648 -6.411 -24.890 1.00 0.00 C ATOM 1221 C PHE A 74 10.430 -5.471 -24.945 1.00 0.00 C ATOM 1222 O PHE A 74 10.506 -4.400 -25.546 1.00 0.00 O ATOM 1223 CB PHE A 74 12.313 -6.307 -23.513 1.00 0.00 C ATOM 1224 CG PHE A 74 12.635 -7.690 -22.996 1.00 0.00 C ATOM 1225 CD1 PHE A 74 13.451 -8.545 -23.746 1.00 0.00 C ATOM 1226 CD2 PHE A 74 12.116 -8.116 -21.768 1.00 0.00 C ATOM 1227 CE1 PHE A 74 13.749 -9.827 -23.267 1.00 0.00 C ATOM 1228 CE2 PHE A 74 12.414 -9.398 -21.289 1.00 0.00 C ATOM 1229 CZ PHE A 74 13.230 -10.253 -22.039 1.00 0.00 C ATOM 0 H PHE A 74 12.981 -5.072 -25.890 1.00 0.00 H new ATOM 0 HA PHE A 74 11.316 -7.435 -25.061 1.00 0.00 H new ATOM 0 HB2 PHE A 74 13.224 -5.713 -23.583 1.00 0.00 H new ATOM 0 HB3 PHE A 74 11.650 -5.793 -22.817 1.00 0.00 H new ATOM 0 HD1 PHE A 74 13.851 -8.216 -24.694 1.00 0.00 H new ATOM 0 HD2 PHE A 74 11.486 -7.456 -21.190 1.00 0.00 H new ATOM 0 HE1 PHE A 74 14.379 -10.487 -23.845 1.00 0.00 H new ATOM 0 HE2 PHE A 74 12.014 -9.727 -20.341 1.00 0.00 H new ATOM 0 HZ PHE A 74 13.459 -11.242 -21.670 1.00 0.00 H new ATOM 1230 N PRO A 75 9.334 -5.881 -24.324 1.00 0.00 N ATOM 1231 CA PRO A 75 8.100 -5.076 -24.299 1.00 0.00 C ATOM 1232 C PRO A 75 8.193 -3.975 -23.228 1.00 0.00 C ATOM 1233 O PRO A 75 8.265 -4.261 -22.034 1.00 0.00 O ATOM 1234 CB PRO A 75 7.013 -6.089 -23.932 1.00 0.00 C ATOM 1235 CG PRO A 75 7.727 -7.259 -23.214 1.00 0.00 C ATOM 1236 CD PRO A 75 9.214 -7.174 -23.601 1.00 0.00 C ATOM 0 HA PRO A 75 7.907 -4.569 -25.244 1.00 0.00 H new ATOM 0 HB2 PRO A 75 6.263 -5.636 -23.284 1.00 0.00 H new ATOM 0 HB3 PRO A 75 6.493 -6.440 -24.823 1.00 0.00 H new ATOM 0 HG2 PRO A 75 7.603 -7.183 -22.134 1.00 0.00 H new ATOM 0 HG3 PRO A 75 7.302 -8.216 -23.517 1.00 0.00 H new ATOM 0 HD2 PRO A 75 9.856 -7.198 -22.720 1.00 0.00 H new ATOM 0 HD3 PRO A 75 9.509 -8.012 -24.233 1.00 0.00 H new ATOM 1237 N PHE A 76 8.184 -2.722 -23.625 1.00 0.00 N ATOM 1238 CA PHE A 76 8.261 -1.618 -22.634 1.00 0.00 C ATOM 1239 C PHE A 76 7.310 -0.497 -23.079 1.00 0.00 C ATOM 1240 O PHE A 76 7.336 -0.079 -24.235 1.00 0.00 O ATOM 1241 CB PHE A 76 9.699 -1.087 -22.575 1.00 0.00 C ATOM 1242 CG PHE A 76 10.165 -1.028 -21.140 1.00 0.00 C ATOM 1243 CD1 PHE A 76 10.115 -2.176 -20.339 1.00 0.00 C ATOM 1244 CD2 PHE A 76 10.649 0.173 -20.611 1.00 0.00 C ATOM 1245 CE1 PHE A 76 10.548 -2.121 -19.009 1.00 0.00 C ATOM 1246 CE2 PHE A 76 11.082 0.229 -19.282 1.00 0.00 C ATOM 1247 CZ PHE A 76 11.032 -0.918 -18.480 1.00 0.00 C ATOM 0 H PHE A 76 8.126 -2.424 -24.599 1.00 0.00 H new ATOM 0 HA PHE A 76 7.974 -1.976 -21.645 1.00 0.00 H new ATOM 0 HB2 PHE A 76 10.359 -1.733 -23.155 1.00 0.00 H new ATOM 0 HB3 PHE A 76 9.749 -0.095 -23.024 1.00 0.00 H new ATOM 0 HD1 PHE A 76 9.742 -3.104 -20.748 1.00 0.00 H new ATOM 0 HD2 PHE A 76 10.688 1.058 -21.229 1.00 0.00 H new ATOM 0 HE1 PHE A 76 10.509 -3.006 -18.391 1.00 0.00 H new ATOM 0 HE2 PHE A 76 11.455 1.157 -18.874 1.00 0.00 H new ATOM 0 HZ PHE A 76 11.367 -0.875 -17.454 1.00 0.00 H new ATOM 1248 N TYR A 77 6.468 -0.007 -22.198 1.00 0.00 N ATOM 1249 CA TYR A 77 5.525 1.077 -22.589 1.00 0.00 C ATOM 1250 C TYR A 77 4.619 0.596 -23.734 1.00 0.00 C ATOM 1251 O TYR A 77 4.299 1.357 -24.647 1.00 0.00 O ATOM 1252 CB TYR A 77 6.315 2.312 -23.030 1.00 0.00 C ATOM 1253 CG TYR A 77 6.870 2.992 -21.806 1.00 0.00 C ATOM 1254 CD1 TYR A 77 7.771 2.315 -20.984 1.00 0.00 C ATOM 1255 CD2 TYR A 77 6.473 4.291 -21.488 1.00 0.00 C ATOM 1256 CE1 TYR A 77 8.280 2.934 -19.842 1.00 0.00 C ATOM 1257 CE2 TYR A 77 6.975 4.920 -20.339 1.00 0.00 C ATOM 1258 CZ TYR A 77 7.882 4.239 -19.516 1.00 0.00 C ATOM 1259 OH TYR A 77 8.378 4.849 -18.384 1.00 0.00 O ATOM 0 H TYR A 77 6.397 -0.314 -21.228 1.00 0.00 H new ATOM 0 HA TYR A 77 4.903 1.337 -21.733 1.00 0.00 H new ATOM 0 HB2 TYR A 77 7.124 2.023 -23.701 1.00 0.00 H new ATOM 0 HB3 TYR A 77 5.670 2.996 -23.583 1.00 0.00 H new ATOM 0 HD1 TYR A 77 8.075 1.309 -21.232 1.00 0.00 H new ATOM 0 HD2 TYR A 77 5.778 4.814 -22.128 1.00 0.00 H new ATOM 0 HE1 TYR A 77 8.980 2.409 -19.209 1.00 0.00 H new ATOM 0 HE2 TYR A 77 6.664 5.924 -20.090 1.00 0.00 H new ATOM 0 HH TYR A 77 8.689 4.166 -17.754 1.00 0.00 H new ATOM 1260 N ASP A 78 4.186 -0.648 -23.707 1.00 0.00 N ATOM 1261 CA ASP A 78 3.295 -1.160 -24.790 1.00 0.00 C ATOM 1262 C ASP A 78 3.944 -0.938 -26.167 1.00 0.00 C ATOM 1263 O ASP A 78 3.426 -0.187 -26.994 1.00 0.00 O ATOM 1264 CB ASP A 78 1.955 -0.421 -24.730 1.00 0.00 C ATOM 1265 CG ASP A 78 1.370 -0.537 -23.321 1.00 0.00 C ATOM 1266 OD1 ASP A 78 1.664 0.322 -22.507 1.00 0.00 O ATOM 1267 OD2 ASP A 78 0.639 -1.483 -23.081 1.00 0.00 O ATOM 0 H ASP A 78 4.414 -1.326 -22.980 1.00 0.00 H new ATOM 0 HA ASP A 78 3.137 -2.229 -24.646 1.00 0.00 H new ATOM 0 HB2 ASP A 78 2.094 0.628 -24.992 1.00 0.00 H new ATOM 0 HB3 ASP A 78 1.262 -0.842 -25.459 1.00 0.00 H new ATOM 1268 N LYS A 79 5.063 -1.577 -26.444 1.00 0.00 N ATOM 1269 CA LYS A 79 5.713 -1.388 -27.784 1.00 0.00 C ATOM 1270 C LYS A 79 7.014 -2.217 -27.864 1.00 0.00 C ATOM 1271 O LYS A 79 7.723 -2.329 -26.871 1.00 0.00 O ATOM 1272 CB LYS A 79 6.048 0.094 -27.983 1.00 0.00 C ATOM 1273 CG LYS A 79 5.754 0.501 -29.429 1.00 0.00 C ATOM 1274 CD LYS A 79 5.395 1.987 -29.477 1.00 0.00 C ATOM 1275 CE LYS A 79 5.315 2.447 -30.933 1.00 0.00 C ATOM 1276 NZ LYS A 79 4.922 3.884 -30.979 1.00 0.00 N ATOM 0 H LYS A 79 5.547 -2.212 -25.809 1.00 0.00 H new ATOM 0 HA LYS A 79 5.026 -1.721 -28.562 1.00 0.00 H new ATOM 0 HB2 LYS A 79 5.461 0.705 -27.297 1.00 0.00 H new ATOM 0 HB3 LYS A 79 7.098 0.274 -27.751 1.00 0.00 H new ATOM 0 HG2 LYS A 79 6.623 0.305 -30.057 1.00 0.00 H new ATOM 0 HG3 LYS A 79 4.933 -0.096 -29.826 1.00 0.00 H new ATOM 0 HD2 LYS A 79 4.441 2.158 -28.978 1.00 0.00 H new ATOM 0 HD3 LYS A 79 6.144 2.570 -28.941 1.00 0.00 H new ATOM 0 HE2 LYS A 79 6.278 2.306 -31.423 1.00 0.00 H new ATOM 0 HE3 LYS A 79 4.589 1.843 -31.477 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 4.867 4.197 -31.969 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 3.994 4.005 -30.526 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 5.630 4.454 -30.474 1.00 0.00 H new ATOM 1277 N PRO A 80 7.319 -2.774 -29.025 1.00 0.00 N ATOM 1278 CA PRO A 80 8.543 -3.577 -29.196 1.00 0.00 C ATOM 1279 C PRO A 80 9.759 -2.649 -29.330 1.00 0.00 C ATOM 1280 O PRO A 80 9.839 -1.852 -30.264 1.00 0.00 O ATOM 1281 CB PRO A 80 8.296 -4.350 -30.495 1.00 0.00 C ATOM 1282 CG PRO A 80 7.233 -3.552 -31.283 1.00 0.00 C ATOM 1283 CD PRO A 80 6.499 -2.664 -30.259 1.00 0.00 C ATOM 0 HA PRO A 80 8.748 -4.239 -28.355 1.00 0.00 H new ATOM 0 HB2 PRO A 80 9.216 -4.445 -31.071 1.00 0.00 H new ATOM 0 HB3 PRO A 80 7.946 -5.361 -30.285 1.00 0.00 H new ATOM 0 HG2 PRO A 80 7.701 -2.944 -32.058 1.00 0.00 H new ATOM 0 HG3 PRO A 80 6.536 -4.224 -31.783 1.00 0.00 H new ATOM 0 HD2 PRO A 80 6.433 -1.632 -30.602 1.00 0.00 H new ATOM 0 HD3 PRO A 80 5.479 -3.010 -30.091 1.00 0.00 H new ATOM 1284 N MET A 81 10.708 -2.724 -28.419 1.00 0.00 N ATOM 1285 CA MET A 81 11.898 -1.825 -28.522 1.00 0.00 C ATOM 1286 C MET A 81 13.193 -2.651 -28.482 1.00 0.00 C ATOM 1287 O MET A 81 13.410 -3.447 -27.571 1.00 0.00 O ATOM 1288 CB MET A 81 11.894 -0.816 -27.366 1.00 0.00 C ATOM 1289 CG MET A 81 11.665 -1.534 -26.033 1.00 0.00 C ATOM 1290 SD MET A 81 12.099 -0.425 -24.670 1.00 0.00 S ATOM 1291 CE MET A 81 13.129 -1.593 -23.747 1.00 0.00 C ATOM 0 H MET A 81 10.707 -3.360 -27.622 1.00 0.00 H new ATOM 0 HA MET A 81 11.849 -1.288 -29.469 1.00 0.00 H new ATOM 0 HB2 MET A 81 12.843 -0.280 -27.339 1.00 0.00 H new ATOM 0 HB3 MET A 81 11.112 -0.073 -27.526 1.00 0.00 H new ATOM 0 HG2 MET A 81 10.623 -1.842 -25.948 1.00 0.00 H new ATOM 0 HG3 MET A 81 12.270 -2.439 -25.986 1.00 0.00 H new ATOM 0 HE1 MET A 81 13.496 -1.115 -22.839 1.00 0.00 H new ATOM 0 HE2 MET A 81 12.537 -2.470 -23.482 1.00 0.00 H new ATOM 0 HE3 MET A 81 13.974 -1.898 -24.363 1.00 0.00 H new ATOM 1292 N ARG A 82 14.068 -2.469 -29.450 1.00 0.00 N ATOM 1293 CA ARG A 82 15.348 -3.234 -29.452 1.00 0.00 C ATOM 1294 C ARG A 82 16.443 -2.361 -28.829 1.00 0.00 C ATOM 1295 O ARG A 82 16.396 -1.136 -28.924 1.00 0.00 O ATOM 1296 CB ARG A 82 15.735 -3.595 -30.889 1.00 0.00 C ATOM 1297 CG ARG A 82 16.567 -4.878 -30.889 1.00 0.00 C ATOM 1298 CD ARG A 82 16.291 -5.667 -32.171 1.00 0.00 C ATOM 1299 NE ARG A 82 17.089 -5.090 -33.290 1.00 0.00 N ATOM 1300 CZ ARG A 82 16.487 -4.492 -34.281 1.00 0.00 C ATOM 1301 NH1 ARG A 82 15.422 -5.025 -34.814 1.00 0.00 N ATOM 1302 NH2 ARG A 82 16.951 -3.362 -34.740 1.00 0.00 N ATOM 0 H ARG A 82 13.946 -1.825 -30.232 1.00 0.00 H new ATOM 0 HA ARG A 82 15.230 -4.152 -28.877 1.00 0.00 H new ATOM 0 HB2 ARG A 82 14.839 -3.731 -31.495 1.00 0.00 H new ATOM 0 HB3 ARG A 82 16.303 -2.781 -31.339 1.00 0.00 H new ATOM 0 HG2 ARG A 82 17.628 -4.636 -30.820 1.00 0.00 H new ATOM 0 HG3 ARG A 82 16.321 -5.484 -30.017 1.00 0.00 H new ATOM 0 HD2 ARG A 82 16.550 -6.716 -32.028 1.00 0.00 H new ATOM 0 HD3 ARG A 82 15.228 -5.631 -32.411 1.00 0.00 H new ATOM 0 HE ARG A 82 18.106 -5.163 -33.281 1.00 0.00 H new ATOM 0 HH11 ARG A 82 15.060 -5.909 -34.456 1.00 0.00 H new ATOM 0 HH12 ARG A 82 14.951 -4.558 -35.589 1.00 0.00 H new ATOM 0 HH21 ARG A 82 17.784 -2.946 -34.324 1.00 0.00 H new ATOM 0 HH22 ARG A 82 16.480 -2.895 -35.515 1.00 0.00 H new ATOM 1303 N ILE A 83 17.421 -2.954 -28.183 1.00 0.00 N ATOM 1304 CA ILE A 83 18.493 -2.130 -27.555 1.00 0.00 C ATOM 1305 C ILE A 83 19.800 -2.258 -28.354 1.00 0.00 C ATOM 1306 O ILE A 83 20.184 -3.348 -28.773 1.00 0.00 O ATOM 1307 CB ILE A 83 18.723 -2.597 -26.118 1.00 0.00 C ATOM 1308 CG1 ILE A 83 17.392 -2.579 -25.363 1.00 0.00 C ATOM 1309 CG2 ILE A 83 19.714 -1.655 -25.430 1.00 0.00 C ATOM 1310 CD1 ILE A 83 17.588 -3.158 -23.961 1.00 0.00 C ATOM 0 H ILE A 83 17.519 -3.963 -28.067 1.00 0.00 H new ATOM 0 HA ILE A 83 18.181 -1.086 -27.554 1.00 0.00 H new ATOM 0 HB ILE A 83 19.128 -3.609 -26.121 1.00 0.00 H new ATOM 0 HG12 ILE A 83 17.014 -1.559 -25.296 1.00 0.00 H new ATOM 0 HG13 ILE A 83 16.647 -3.160 -25.906 1.00 0.00 H new ATOM 0 HG21 ILE A 83 19.879 -1.986 -24.405 1.00 0.00 H new ATOM 0 HG22 ILE A 83 20.660 -1.664 -25.971 1.00 0.00 H new ATOM 0 HG23 ILE A 83 19.309 -0.643 -25.423 1.00 0.00 H new ATOM 0 HD11 ILE A 83 16.639 -3.144 -23.426 1.00 0.00 H new ATOM 0 HD12 ILE A 83 17.946 -4.185 -24.038 1.00 0.00 H new ATOM 0 HD13 ILE A 83 18.319 -2.559 -23.419 1.00 0.00 H new ATOM 1311 N GLN A 84 20.495 -1.163 -28.565 1.00 0.00 N ATOM 1312 CA GLN A 84 21.779 -1.216 -29.326 1.00 0.00 C ATOM 1313 C GLN A 84 22.787 -0.285 -28.641 1.00 0.00 C ATOM 1314 O GLN A 84 22.420 0.792 -28.175 1.00 0.00 O ATOM 1315 CB GLN A 84 21.559 -0.741 -30.770 1.00 0.00 C ATOM 1316 CG GLN A 84 20.299 -1.386 -31.357 1.00 0.00 C ATOM 1317 CD GLN A 84 19.119 -0.412 -31.230 1.00 0.00 C ATOM 1318 OE1 GLN A 84 18.096 -0.752 -30.643 1.00 0.00 O ATOM 1319 NE2 GLN A 84 19.202 0.790 -31.751 1.00 0.00 N ATOM 0 H GLN A 84 20.225 -0.235 -28.241 1.00 0.00 H new ATOM 0 HA GLN A 84 22.151 -2.240 -29.343 1.00 0.00 H new ATOM 0 HB2 GLN A 84 21.464 0.345 -30.792 1.00 0.00 H new ATOM 0 HB3 GLN A 84 22.425 -0.998 -31.380 1.00 0.00 H new ATOM 0 HG2 GLN A 84 20.462 -1.642 -32.404 1.00 0.00 H new ATOM 0 HG3 GLN A 84 20.075 -2.315 -30.833 1.00 0.00 H new ATOM 0 HE21 GLN A 84 20.050 1.077 -32.240 1.00 0.00 H new ATOM 0 HE22 GLN A 84 18.418 1.437 -31.667 1.00 0.00 H new ATOM 1320 N TYR A 85 24.045 -0.662 -28.557 1.00 0.00 N ATOM 1321 CA TYR A 85 25.044 0.236 -27.881 1.00 0.00 C ATOM 1322 C TYR A 85 24.976 1.646 -28.491 1.00 0.00 C ATOM 1323 O TYR A 85 24.209 1.894 -29.421 1.00 0.00 O ATOM 1324 CB TYR A 85 26.466 -0.318 -28.043 1.00 0.00 C ATOM 1325 CG TYR A 85 26.655 -1.521 -27.144 1.00 0.00 C ATOM 1326 CD1 TYR A 85 26.273 -1.469 -25.793 1.00 0.00 C ATOM 1327 CD2 TYR A 85 27.213 -2.694 -27.665 1.00 0.00 C ATOM 1328 CE1 TYR A 85 26.451 -2.587 -24.971 1.00 0.00 C ATOM 1329 CE2 TYR A 85 27.391 -3.811 -26.844 1.00 0.00 C ATOM 1330 CZ TYR A 85 27.011 -3.759 -25.499 1.00 0.00 C ATOM 1331 OH TYR A 85 27.189 -4.863 -24.693 1.00 0.00 O ATOM 0 H TYR A 85 24.420 -1.538 -28.921 1.00 0.00 H new ATOM 0 HA TYR A 85 24.801 0.282 -26.819 1.00 0.00 H new ATOM 0 HB2 TYR A 85 26.640 -0.598 -29.082 1.00 0.00 H new ATOM 0 HB3 TYR A 85 27.196 0.452 -27.794 1.00 0.00 H new ATOM 0 HD1 TYR A 85 25.842 -0.565 -25.389 1.00 0.00 H new ATOM 0 HD2 TYR A 85 27.507 -2.736 -28.703 1.00 0.00 H new ATOM 0 HE1 TYR A 85 26.158 -2.547 -23.932 1.00 0.00 H new ATOM 0 HE2 TYR A 85 27.822 -4.715 -27.248 1.00 0.00 H new ATOM 0 HH TYR A 85 26.518 -5.542 -24.916 1.00 0.00 H new ATOM 1332 N ALA A 86 25.753 2.580 -27.987 1.00 0.00 N ATOM 1333 CA ALA A 86 25.711 3.962 -28.542 1.00 0.00 C ATOM 1334 C ALA A 86 26.834 4.135 -29.575 1.00 0.00 C ATOM 1335 O ALA A 86 27.598 3.207 -29.835 1.00 0.00 O ATOM 1336 CB ALA A 86 25.898 4.979 -27.413 1.00 0.00 C ATOM 0 H ALA A 86 26.409 2.440 -27.219 1.00 0.00 H new ATOM 0 HA ALA A 86 24.746 4.127 -29.021 1.00 0.00 H new ATOM 0 HB1 ALA A 86 25.867 5.988 -27.824 1.00 0.00 H new ATOM 0 HB2 ALA A 86 25.100 4.860 -26.680 1.00 0.00 H new ATOM 0 HB3 ALA A 86 26.861 4.814 -26.930 1.00 0.00 H new ATOM 1337 N LYS A 87 26.956 5.302 -30.168 1.00 0.00 N ATOM 1338 CA LYS A 87 28.040 5.512 -31.178 1.00 0.00 C ATOM 1339 C LYS A 87 29.345 5.842 -30.440 1.00 0.00 C ATOM 1340 O LYS A 87 30.374 5.206 -30.662 1.00 0.00 O ATOM 1341 CB LYS A 87 27.676 6.669 -32.123 1.00 0.00 C ATOM 1342 CG LYS A 87 26.229 6.510 -32.624 1.00 0.00 C ATOM 1343 CD LYS A 87 26.221 6.254 -34.133 1.00 0.00 C ATOM 1344 CE LYS A 87 26.212 7.587 -34.889 1.00 0.00 C ATOM 1345 NZ LYS A 87 27.210 7.535 -35.995 1.00 0.00 N ATOM 0 H LYS A 87 26.357 6.110 -29.997 1.00 0.00 H new ATOM 0 HA LYS A 87 28.162 4.606 -31.771 1.00 0.00 H new ATOM 0 HB2 LYS A 87 27.786 7.621 -31.604 1.00 0.00 H new ATOM 0 HB3 LYS A 87 28.362 6.686 -32.970 1.00 0.00 H new ATOM 0 HG2 LYS A 87 25.745 5.683 -32.104 1.00 0.00 H new ATOM 0 HG3 LYS A 87 25.656 7.409 -32.397 1.00 0.00 H new ATOM 0 HD2 LYS A 87 27.098 5.671 -34.416 1.00 0.00 H new ATOM 0 HD3 LYS A 87 25.345 5.665 -34.406 1.00 0.00 H new ATOM 0 HE2 LYS A 87 25.218 7.784 -35.290 1.00 0.00 H new ATOM 0 HE3 LYS A 87 26.449 8.405 -34.209 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 27.206 8.439 -36.509 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 28.157 7.366 -35.600 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 26.965 6.764 -36.648 1.00 0.00 H new ATOM 1346 N THR A 88 29.326 6.819 -29.558 1.00 0.00 N ATOM 1347 CA THR A 88 30.562 7.173 -28.811 1.00 0.00 C ATOM 1348 C THR A 88 30.329 6.944 -27.311 1.00 0.00 C ATOM 1349 O THR A 88 29.243 6.535 -26.901 1.00 0.00 O ATOM 1350 CB THR A 88 30.903 8.644 -29.057 1.00 0.00 C ATOM 1351 OG1 THR A 88 29.731 9.432 -28.899 1.00 0.00 O ATOM 1352 CG2 THR A 88 31.445 8.810 -30.475 1.00 0.00 C ATOM 0 H THR A 88 28.506 7.380 -29.330 1.00 0.00 H new ATOM 0 HA THR A 88 31.388 6.549 -29.152 1.00 0.00 H new ATOM 0 HB THR A 88 31.658 8.969 -28.341 1.00 0.00 H new ATOM 0 HG1 THR A 88 29.947 10.375 -29.054 1.00 0.00 H new ATOM 0 HG21 THR A 88 31.688 9.858 -30.651 1.00 0.00 H new ATOM 0 HG22 THR A 88 32.343 8.204 -30.595 1.00 0.00 H new ATOM 0 HG23 THR A 88 30.691 8.487 -31.193 1.00 0.00 H new ATOM 1353 N ASP A 89 31.316 7.199 -26.479 1.00 0.00 N ATOM 1354 CA ASP A 89 31.116 6.990 -25.009 1.00 0.00 C ATOM 1355 C ASP A 89 30.310 8.165 -24.440 1.00 0.00 C ATOM 1356 O ASP A 89 29.982 9.108 -25.160 1.00 0.00 O ATOM 1357 CB ASP A 89 32.470 6.909 -24.294 1.00 0.00 C ATOM 1358 CG ASP A 89 33.303 5.779 -24.903 1.00 0.00 C ATOM 1359 OD1 ASP A 89 33.194 4.663 -24.421 1.00 0.00 O ATOM 1360 OD2 ASP A 89 34.036 6.048 -25.840 1.00 0.00 O ATOM 0 H ASP A 89 32.239 7.538 -26.751 1.00 0.00 H new ATOM 0 HA ASP A 89 30.578 6.056 -24.851 1.00 0.00 H new ATOM 0 HB2 ASP A 89 33.000 7.857 -24.388 1.00 0.00 H new ATOM 0 HB3 ASP A 89 32.321 6.732 -23.229 1.00 0.00 H new ATOM 1361 N SER A 90 29.983 8.141 -23.165 1.00 0.00 N ATOM 1362 CA SER A 90 29.201 9.275 -22.582 1.00 0.00 C ATOM 1363 C SER A 90 30.154 10.440 -22.275 1.00 0.00 C ATOM 1364 O SER A 90 31.373 10.269 -22.266 1.00 0.00 O ATOM 1365 CB SER A 90 28.496 8.831 -21.294 1.00 0.00 C ATOM 1366 OG SER A 90 27.117 9.168 -21.375 1.00 0.00 O ATOM 0 H SER A 90 30.222 7.394 -22.513 1.00 0.00 H new ATOM 0 HA SER A 90 28.446 9.595 -23.300 1.00 0.00 H new ATOM 0 HB2 SER A 90 28.612 7.756 -21.154 1.00 0.00 H new ATOM 0 HB3 SER A 90 28.951 9.316 -20.431 1.00 0.00 H new ATOM 0 HG SER A 90 26.848 9.643 -20.561 1.00 0.00 H new ATOM 1367 N ASP A 91 29.633 11.622 -22.032 1.00 0.00 N ATOM 1368 CA ASP A 91 30.530 12.782 -21.735 1.00 0.00 C ATOM 1369 C ASP A 91 30.980 12.747 -20.265 1.00 0.00 C ATOM 1370 O ASP A 91 32.101 13.145 -19.949 1.00 0.00 O ATOM 1371 CB ASP A 91 29.794 14.102 -22.009 1.00 0.00 C ATOM 1372 CG ASP A 91 30.744 15.086 -22.692 1.00 0.00 C ATOM 1373 OD1 ASP A 91 31.553 15.678 -21.996 1.00 0.00 O ATOM 1374 OD2 ASP A 91 30.648 15.231 -23.900 1.00 0.00 O ATOM 0 H ASP A 91 28.634 11.830 -22.027 1.00 0.00 H new ATOM 0 HA ASP A 91 31.406 12.714 -22.380 1.00 0.00 H new ATOM 0 HB2 ASP A 91 28.925 13.921 -22.642 1.00 0.00 H new ATOM 0 HB3 ASP A 91 29.426 14.525 -21.075 1.00 0.00 H new ATOM 1375 N ILE A 92 30.143 12.295 -19.354 1.00 0.00 N ATOM 1376 CA ILE A 92 30.563 12.263 -17.919 1.00 0.00 C ATOM 1377 C ILE A 92 31.752 11.302 -17.743 1.00 0.00 C ATOM 1378 O ILE A 92 32.658 11.582 -16.968 1.00 0.00 O ATOM 1379 CB ILE A 92 29.387 11.829 -17.029 1.00 0.00 C ATOM 1380 CG1 ILE A 92 28.976 10.386 -17.359 1.00 0.00 C ATOM 1381 CG2 ILE A 92 28.197 12.762 -17.270 1.00 0.00 C ATOM 1382 CD1 ILE A 92 27.889 9.925 -16.385 1.00 0.00 C ATOM 0 H ILE A 92 29.201 11.952 -19.542 1.00 0.00 H new ATOM 0 HA ILE A 92 30.872 13.264 -17.618 1.00 0.00 H new ATOM 0 HB ILE A 92 29.694 11.881 -15.984 1.00 0.00 H new ATOM 0 HG12 ILE A 92 28.609 10.327 -18.384 1.00 0.00 H new ATOM 0 HG13 ILE A 92 29.841 9.727 -17.292 1.00 0.00 H new ATOM 0 HG21 ILE A 92 27.362 12.456 -16.640 1.00 0.00 H new ATOM 0 HG22 ILE A 92 28.481 13.785 -17.024 1.00 0.00 H new ATOM 0 HG23 ILE A 92 27.900 12.709 -18.317 1.00 0.00 H new ATOM 0 HD11 ILE A 92 27.599 8.901 -16.621 1.00 0.00 H new ATOM 0 HD12 ILE A 92 28.272 9.968 -15.365 1.00 0.00 H new ATOM 0 HD13 ILE A 92 27.020 10.578 -16.474 1.00 0.00 H new ATOM 1383 N ILE A 93 31.788 10.188 -18.452 1.00 0.00 N ATOM 1384 CA ILE A 93 32.962 9.257 -18.308 1.00 0.00 C ATOM 1385 C ILE A 93 34.235 9.998 -18.780 1.00 0.00 C ATOM 1386 O ILE A 93 35.327 9.765 -18.269 1.00 0.00 O ATOM 1387 CB ILE A 93 32.738 7.969 -19.135 1.00 0.00 C ATOM 1388 CG1 ILE A 93 31.679 7.104 -18.439 1.00 0.00 C ATOM 1389 CG2 ILE A 93 34.039 7.157 -19.242 1.00 0.00 C ATOM 1390 CD1 ILE A 93 30.287 7.457 -18.964 1.00 0.00 C ATOM 0 H ILE A 93 31.069 9.889 -19.111 1.00 0.00 H new ATOM 0 HA ILE A 93 33.075 8.962 -17.265 1.00 0.00 H new ATOM 0 HB ILE A 93 32.410 8.251 -20.135 1.00 0.00 H new ATOM 0 HG12 ILE A 93 31.886 6.049 -18.616 1.00 0.00 H new ATOM 0 HG13 ILE A 93 31.721 7.261 -17.361 1.00 0.00 H new ATOM 0 HG21 ILE A 93 33.858 6.256 -19.828 1.00 0.00 H new ATOM 0 HG22 ILE A 93 34.805 7.760 -19.730 1.00 0.00 H new ATOM 0 HG23 ILE A 93 34.378 6.879 -18.244 1.00 0.00 H new ATOM 0 HD11 ILE A 93 29.542 6.838 -18.464 1.00 0.00 H new ATOM 0 HD12 ILE A 93 30.079 8.508 -18.764 1.00 0.00 H new ATOM 0 HD13 ILE A 93 30.247 7.277 -20.038 1.00 0.00 H new