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 -62:sc= 0.558 USER MOD Set 1.2: A 85 TYR OH : rot 89:sc= -4.55! USER MOD Set 2.1: A 12 TYR OH : rot -30:sc= -1.63 USER MOD Set 2.2: A 50 MET CE :methyl 162:sc= -0.0593 (180deg=-1) USER MOD Set 2.3: A 53 GLN : amide:sc= -1.99 K(o=-3.7,f=-4.8) USER MOD Set 3.1: A 28 SER OG : rot 157:sc= 1.09 USER MOD Set 3.2: A 77 TYR OH : rot -140:sc= -1.45 USER MOD Set 4.1: A 14 ASN : amide:sc= -0.341 K(o=-0.34,f=-1.9!) USER MOD Set 4.2: A 15 ASN : amide:sc= 0 K(o=-0.34,f=-1.9) USER MOD Set 5.1: A 10 THR OG1 : rot -18:sc= 1.23 USER MOD Set 5.2: A 90 SER OG : rot 98:sc= -0.171 USER MOD Single : A 8 ASN : amide:sc= -1.14 K(o=-1.1,f=-3.5!) USER MOD Single : A 9 HIS : no HD1:sc= -3.66! C(o=-3.7!,f=-11!) USER MOD Single : A 17 ASN : amide:sc= -0.318 K(o=-0.32,f=-3.1!) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0391) 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 HE2:sc= -6.88! C(o=-6.9!,f=-6.8!) USER MOD Single : A 34 SER OG : rot -109:sc= 0.98 USER MOD Single : A 38 GLN : amide:sc= -0.304 K(o=-0.3,f=-0.89) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 47 SER OG : rot 180:sc= 0.0686 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 : amide:sc= -0.484 X(o=-0.48,f=-0.13) USER MOD Single : A 70 SER OG : rot -66:sc= -0.945 USER MOD Single : A 71 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 72 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 79 LYS NZ :NH3+ -128:sc= -0.0102 (180deg=-0.188) USER MOD Single : A 81 MET CE :methyl -161:sc= -0.291 (180deg=-0.656) USER MOD Single : A 84 GLN : amide:sc= -1.81 K(o=-1.8,f=-4.3!) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 THR OG1 : rot 180:sc= 0.0178 USER MOD ----------------------------------------------------------------- ATOM 682 N PRO A 7 31.388 -2.449 -28.425 1.00 0.00 N ATOM 683 CA PRO A 7 31.064 -2.246 -27.002 1.00 0.00 C ATOM 684 C PRO A 7 31.325 -0.787 -26.593 1.00 0.00 C ATOM 685 O PRO A 7 32.389 -0.237 -26.870 1.00 0.00 O ATOM 686 CB PRO A 7 32.018 -3.195 -26.271 1.00 0.00 C ATOM 687 CG PRO A 7 33.199 -3.455 -27.235 1.00 0.00 C ATOM 688 CD PRO A 7 32.698 -3.112 -28.650 1.00 0.00 C ATOM 0 HA PRO A 7 30.017 -2.444 -26.772 1.00 0.00 H new ATOM 0 HB2 PRO A 7 32.368 -2.752 -25.339 1.00 0.00 H new ATOM 0 HB3 PRO A 7 31.516 -4.127 -26.012 1.00 0.00 H new ATOM 0 HG2 PRO A 7 34.059 -2.840 -26.969 1.00 0.00 H new ATOM 0 HG3 PRO A 7 33.522 -4.495 -27.180 1.00 0.00 H new ATOM 0 HD2 PRO A 7 33.394 -2.453 -29.169 1.00 0.00 H new ATOM 0 HD3 PRO A 7 32.591 -4.008 -29.262 1.00 0.00 H new ATOM 689 N ASN A 8 30.379 -0.146 -25.938 1.00 0.00 N ATOM 690 CA ASN A 8 30.592 1.270 -25.520 1.00 0.00 C ATOM 691 C ASN A 8 30.182 1.435 -24.050 1.00 0.00 C ATOM 692 O ASN A 8 29.804 0.468 -23.391 1.00 0.00 O ATOM 693 CB ASN A 8 29.741 2.192 -26.395 1.00 0.00 C ATOM 694 CG ASN A 8 30.066 1.942 -27.873 1.00 0.00 C ATOM 695 OD1 ASN A 8 29.853 0.842 -28.378 1.00 0.00 O ATOM 696 ND2 ASN A 8 30.574 2.905 -28.603 1.00 0.00 N ATOM 0 H ASN A 8 29.477 -0.545 -25.679 1.00 0.00 H new ATOM 0 HA ASN A 8 31.644 1.530 -25.635 1.00 0.00 H new ATOM 0 HB2 ASN A 8 28.682 2.011 -26.209 1.00 0.00 H new ATOM 0 HB3 ASN A 8 29.936 3.234 -26.140 1.00 0.00 H new ATOM 0 HD21 ASN A 8 30.791 2.740 -29.586 1.00 0.00 H new ATOM 0 HD22 ASN A 8 30.752 3.820 -28.188 1.00 0.00 H new ATOM 697 N HIS A 9 30.244 2.637 -23.518 1.00 0.00 N ATOM 698 CA HIS A 9 29.853 2.839 -22.091 1.00 0.00 C ATOM 699 C HIS A 9 28.445 3.462 -22.012 1.00 0.00 C ATOM 700 O HIS A 9 28.165 4.252 -21.113 1.00 0.00 O ATOM 701 CB HIS A 9 30.859 3.781 -21.425 1.00 0.00 C ATOM 702 CG HIS A 9 31.082 3.365 -19.996 1.00 0.00 C ATOM 703 ND1 HIS A 9 32.350 3.137 -19.483 1.00 0.00 N ATOM 704 CD2 HIS A 9 30.212 3.137 -18.960 1.00 0.00 C ATOM 705 CE1 HIS A 9 32.207 2.790 -18.192 1.00 0.00 C ATOM 706 NE2 HIS A 9 30.924 2.774 -17.821 1.00 0.00 N ATOM 0 H HIS A 9 30.547 3.478 -24.010 1.00 0.00 H new ATOM 0 HA HIS A 9 29.847 1.876 -21.580 1.00 0.00 H new ATOM 0 HB2 HIS A 9 31.803 3.763 -21.970 1.00 0.00 H new ATOM 0 HB3 HIS A 9 30.490 4.806 -21.461 1.00 0.00 H new ATOM 0 HD2 HIS A 9 29.137 3.226 -19.020 1.00 0.00 H new ATOM 0 HE1 HIS A 9 33.030 2.553 -17.534 1.00 0.00 H new ATOM 0 HE2 HIS A 9 30.547 2.545 -16.901 1.00 0.00 H new ATOM 707 N THR A 10 27.553 3.130 -22.925 1.00 0.00 N ATOM 708 CA THR A 10 26.177 3.724 -22.874 1.00 0.00 C ATOM 709 C THR A 10 25.242 2.972 -23.839 1.00 0.00 C ATOM 710 O THR A 10 25.472 2.959 -25.046 1.00 0.00 O ATOM 711 CB THR A 10 26.244 5.201 -23.290 1.00 0.00 C ATOM 712 OG1 THR A 10 27.132 5.900 -22.425 1.00 0.00 O ATOM 713 CG2 THR A 10 24.851 5.828 -23.198 1.00 0.00 C ATOM 0 H THR A 10 27.719 2.480 -23.694 1.00 0.00 H new ATOM 0 HA THR A 10 25.791 3.640 -21.858 1.00 0.00 H new ATOM 0 HB THR A 10 26.605 5.267 -24.316 1.00 0.00 H new ATOM 0 HG1 THR A 10 27.275 5.375 -21.610 1.00 0.00 H new ATOM 0 HG21 THR A 10 24.903 6.876 -23.494 1.00 0.00 H new ATOM 0 HG22 THR A 10 24.168 5.297 -23.862 1.00 0.00 H new ATOM 0 HG23 THR A 10 24.488 5.758 -22.173 1.00 0.00 H new ATOM 714 N ILE A 11 24.189 2.355 -23.344 1.00 0.00 N ATOM 715 CA ILE A 11 23.264 1.628 -24.270 1.00 0.00 C ATOM 716 C ILE A 11 22.272 2.630 -24.881 1.00 0.00 C ATOM 717 O ILE A 11 22.202 3.786 -24.462 1.00 0.00 O ATOM 718 CB ILE A 11 22.504 0.522 -23.521 1.00 0.00 C ATOM 719 CG1 ILE A 11 21.654 1.129 -22.400 1.00 0.00 C ATOM 720 CG2 ILE A 11 23.507 -0.462 -22.916 1.00 0.00 C ATOM 721 CD1 ILE A 11 20.575 0.130 -21.980 1.00 0.00 C ATOM 0 H ILE A 11 23.936 2.325 -22.356 1.00 0.00 H new ATOM 0 HA ILE A 11 23.848 1.160 -25.062 1.00 0.00 H new ATOM 0 HB ILE A 11 21.851 0.004 -24.223 1.00 0.00 H new ATOM 0 HG12 ILE A 11 22.284 1.380 -21.547 1.00 0.00 H new ATOM 0 HG13 ILE A 11 21.193 2.057 -22.740 1.00 0.00 H new ATOM 0 HG21 ILE A 11 22.970 -1.248 -22.384 1.00 0.00 H new ATOM 0 HG22 ILE A 11 24.106 -0.906 -23.711 1.00 0.00 H new ATOM 0 HG23 ILE A 11 24.160 0.066 -22.221 1.00 0.00 H new ATOM 0 HD11 ILE A 11 19.970 0.562 -21.182 1.00 0.00 H new ATOM 0 HD12 ILE A 11 19.939 -0.099 -22.835 1.00 0.00 H new ATOM 0 HD13 ILE A 11 21.046 -0.786 -21.623 1.00 0.00 H new ATOM 722 N TYR A 12 21.510 2.220 -25.872 1.00 0.00 N ATOM 723 CA TYR A 12 20.543 3.159 -26.510 1.00 0.00 C ATOM 724 C TYR A 12 19.211 2.426 -26.757 1.00 0.00 C ATOM 725 O TYR A 12 19.194 1.241 -27.087 1.00 0.00 O ATOM 726 CB TYR A 12 21.152 3.649 -27.839 1.00 0.00 C ATOM 727 CG TYR A 12 20.118 4.362 -28.685 1.00 0.00 C ATOM 728 CD1 TYR A 12 19.287 3.622 -29.533 1.00 0.00 C ATOM 729 CD2 TYR A 12 20.000 5.756 -28.628 1.00 0.00 C ATOM 730 CE1 TYR A 12 18.336 4.274 -30.324 1.00 0.00 C ATOM 731 CE2 TYR A 12 19.049 6.409 -29.422 1.00 0.00 C ATOM 732 CZ TYR A 12 18.216 5.668 -30.270 1.00 0.00 C ATOM 733 OH TYR A 12 17.278 6.312 -31.053 1.00 0.00 O ATOM 0 H TYR A 12 21.520 1.277 -26.261 1.00 0.00 H new ATOM 0 HA TYR A 12 20.349 4.015 -25.864 1.00 0.00 H new ATOM 0 HB2 TYR A 12 21.985 4.322 -27.634 1.00 0.00 H new ATOM 0 HB3 TYR A 12 21.556 2.801 -28.392 1.00 0.00 H new ATOM 0 HD1 TYR A 12 19.380 2.547 -29.577 1.00 0.00 H new ATOM 0 HD2 TYR A 12 20.641 6.327 -27.973 1.00 0.00 H new ATOM 0 HE1 TYR A 12 17.694 3.702 -30.977 1.00 0.00 H new ATOM 0 HE2 TYR A 12 18.958 7.484 -29.380 1.00 0.00 H new ATOM 0 HH TYR A 12 17.132 5.801 -31.876 1.00 0.00 H new ATOM 734 N ILE A 13 18.094 3.105 -26.605 1.00 0.00 N ATOM 735 CA ILE A 13 16.779 2.439 -26.835 1.00 0.00 C ATOM 736 C ILE A 13 15.901 3.344 -27.713 1.00 0.00 C ATOM 737 O ILE A 13 15.981 4.569 -27.628 1.00 0.00 O ATOM 738 CB ILE A 13 16.084 2.198 -25.490 1.00 0.00 C ATOM 739 CG1 ILE A 13 16.998 1.364 -24.571 1.00 0.00 C ATOM 740 CG2 ILE A 13 14.770 1.448 -25.726 1.00 0.00 C ATOM 741 CD1 ILE A 13 17.312 2.154 -23.297 1.00 0.00 C ATOM 0 H ILE A 13 18.042 4.087 -26.333 1.00 0.00 H new ATOM 0 HA ILE A 13 16.935 1.483 -27.336 1.00 0.00 H new ATOM 0 HB ILE A 13 15.878 3.156 -25.013 1.00 0.00 H new ATOM 0 HG12 ILE A 13 16.511 0.423 -24.316 1.00 0.00 H new ATOM 0 HG13 ILE A 13 17.922 1.114 -25.092 1.00 0.00 H new ATOM 0 HG21 ILE A 13 14.273 1.275 -24.771 1.00 0.00 H new ATOM 0 HG22 ILE A 13 14.122 2.043 -26.370 1.00 0.00 H new ATOM 0 HG23 ILE A 13 14.978 0.491 -26.205 1.00 0.00 H new ATOM 0 HD11 ILE A 13 17.958 1.560 -22.651 1.00 0.00 H new ATOM 0 HD12 ILE A 13 17.817 3.083 -23.560 1.00 0.00 H new ATOM 0 HD13 ILE A 13 16.384 2.382 -22.772 1.00 0.00 H new ATOM 742 N ASN A 14 15.062 2.776 -28.552 1.00 0.00 N ATOM 743 CA ASN A 14 14.191 3.622 -29.419 1.00 0.00 C ATOM 744 C ASN A 14 12.814 2.956 -29.567 1.00 0.00 C ATOM 745 O ASN A 14 12.540 1.935 -28.938 1.00 0.00 O ATOM 746 CB ASN A 14 14.846 3.784 -30.796 1.00 0.00 C ATOM 747 CG ASN A 14 14.999 2.413 -31.468 1.00 0.00 C ATOM 748 OD1 ASN A 14 15.614 1.509 -30.905 1.00 0.00 O ATOM 749 ND2 ASN A 14 14.476 2.202 -32.651 1.00 0.00 N ATOM 0 H ASN A 14 14.947 1.769 -28.670 1.00 0.00 H new ATOM 0 HA ASN A 14 14.065 4.605 -28.965 1.00 0.00 H new ATOM 0 HB2 ASN A 14 14.240 4.439 -31.421 1.00 0.00 H new ATOM 0 HB3 ASN A 14 15.822 4.258 -30.690 1.00 0.00 H new ATOM 0 HD21 ASN A 14 14.580 1.292 -33.100 1.00 0.00 H new ATOM 0 HD22 ASN A 14 13.965 2.948 -33.123 1.00 0.00 H new ATOM 750 N ASN A 15 11.934 3.509 -30.378 1.00 0.00 N ATOM 751 CA ASN A 15 10.584 2.896 -30.545 1.00 0.00 C ATOM 752 C ASN A 15 9.855 2.893 -29.193 1.00 0.00 C ATOM 753 O ASN A 15 9.331 1.868 -28.759 1.00 0.00 O ATOM 754 CB ASN A 15 10.729 1.459 -31.060 1.00 0.00 C ATOM 755 CG ASN A 15 10.553 1.441 -32.584 1.00 0.00 C ATOM 756 OD1 ASN A 15 11.484 1.757 -33.320 1.00 0.00 O ATOM 757 ND2 ASN A 15 9.403 1.087 -33.106 1.00 0.00 N ATOM 0 H ASN A 15 12.098 4.354 -30.926 1.00 0.00 H new ATOM 0 HA ASN A 15 10.008 3.476 -31.266 1.00 0.00 H new ATOM 0 HB2 ASN A 15 11.708 1.062 -30.792 1.00 0.00 H new ATOM 0 HB3 ASN A 15 9.985 0.816 -30.590 1.00 0.00 H new ATOM 0 HD21 ASN A 15 9.285 1.075 -34.119 1.00 0.00 H new ATOM 0 HD22 ASN A 15 8.627 0.824 -32.499 1.00 0.00 H new ATOM 758 N LEU A 16 9.807 4.019 -28.514 1.00 0.00 N ATOM 759 CA LEU A 16 9.109 4.067 -27.197 1.00 0.00 C ATOM 760 C LEU A 16 7.714 4.686 -27.383 1.00 0.00 C ATOM 761 O LEU A 16 7.320 5.021 -28.499 1.00 0.00 O ATOM 762 CB LEU A 16 9.924 4.920 -26.220 1.00 0.00 C ATOM 763 CG LEU A 16 10.851 4.016 -25.401 1.00 0.00 C ATOM 764 CD1 LEU A 16 12.234 3.971 -26.057 1.00 0.00 C ATOM 765 CD2 LEU A 16 10.982 4.572 -23.981 1.00 0.00 C ATOM 0 H LEU A 16 10.221 4.900 -28.818 1.00 0.00 H new ATOM 0 HA LEU A 16 9.008 3.058 -26.798 1.00 0.00 H new ATOM 0 HB2 LEU A 16 10.510 5.659 -26.767 1.00 0.00 H new ATOM 0 HB3 LEU A 16 9.256 5.470 -25.557 1.00 0.00 H new ATOM 0 HG LEU A 16 10.433 3.010 -25.363 1.00 0.00 H new ATOM 0 HD11 LEU A 16 12.893 3.328 -25.474 1.00 0.00 H new ATOM 0 HD12 LEU A 16 12.144 3.576 -27.069 1.00 0.00 H new ATOM 0 HD13 LEU A 16 12.651 4.977 -26.096 1.00 0.00 H new ATOM 0 HD21 LEU A 16 11.641 3.929 -23.398 1.00 0.00 H new ATOM 0 HD22 LEU A 16 11.399 5.578 -24.021 1.00 0.00 H new ATOM 0 HD23 LEU A 16 9.999 4.605 -23.511 1.00 0.00 H new ATOM 766 N ASN A 17 6.954 4.844 -26.320 1.00 0.00 N ATOM 767 CA ASN A 17 5.591 5.441 -26.461 1.00 0.00 C ATOM 768 C ASN A 17 5.671 6.960 -26.256 1.00 0.00 C ATOM 769 O ASN A 17 6.520 7.451 -25.513 1.00 0.00 O ATOM 770 CB ASN A 17 4.648 4.834 -25.417 1.00 0.00 C ATOM 771 CG ASN A 17 3.223 4.767 -25.982 1.00 0.00 C ATOM 772 OD1 ASN A 17 3.011 4.993 -27.172 1.00 0.00 O ATOM 773 ND2 ASN A 17 2.221 4.467 -25.191 1.00 0.00 N ATOM 0 H ASN A 17 7.220 4.586 -25.370 1.00 0.00 H new ATOM 0 HA ASN A 17 5.208 5.228 -27.459 1.00 0.00 H new ATOM 0 HB2 ASN A 17 4.988 3.835 -25.143 1.00 0.00 H new ATOM 0 HB3 ASN A 17 4.661 5.436 -24.508 1.00 0.00 H new ATOM 0 HD21 ASN A 17 1.273 4.422 -25.564 1.00 0.00 H new ATOM 0 HD22 ASN A 17 2.390 4.278 -24.203 1.00 0.00 H new ATOM 774 N GLU A 18 4.809 7.719 -26.898 1.00 0.00 N ATOM 775 CA GLU A 18 4.852 9.202 -26.729 1.00 0.00 C ATOM 776 C GLU A 18 3.737 9.655 -25.771 1.00 0.00 C ATOM 777 O GLU A 18 3.128 10.704 -25.970 1.00 0.00 O ATOM 778 CB GLU A 18 4.659 9.875 -28.090 1.00 0.00 C ATOM 779 CG GLU A 18 5.993 9.912 -28.836 1.00 0.00 C ATOM 780 CD GLU A 18 5.821 10.673 -30.153 1.00 0.00 C ATOM 781 OE1 GLU A 18 5.251 10.107 -31.071 1.00 0.00 O ATOM 782 OE2 GLU A 18 6.263 11.808 -30.220 1.00 0.00 O ATOM 0 H GLU A 18 4.084 7.374 -27.527 1.00 0.00 H new ATOM 0 HA GLU A 18 5.818 9.486 -26.312 1.00 0.00 H new ATOM 0 HB2 GLU A 18 3.918 9.330 -28.675 1.00 0.00 H new ATOM 0 HB3 GLU A 18 4.277 10.887 -27.956 1.00 0.00 H new ATOM 0 HG2 GLU A 18 6.752 10.395 -28.221 1.00 0.00 H new ATOM 0 HG3 GLU A 18 6.340 8.898 -29.033 1.00 0.00 H new ATOM 783 N LYS A 19 3.456 8.896 -24.732 1.00 0.00 N ATOM 784 CA LYS A 19 2.386 9.304 -23.778 1.00 0.00 C ATOM 785 C LYS A 19 3.021 9.677 -22.429 1.00 0.00 C ATOM 786 O LYS A 19 2.825 10.778 -21.921 1.00 0.00 O ATOM 787 CB LYS A 19 1.408 8.144 -23.580 1.00 0.00 C ATOM 788 CG LYS A 19 0.527 8.003 -24.824 1.00 0.00 C ATOM 789 CD LYS A 19 -0.468 9.164 -24.879 1.00 0.00 C ATOM 790 CE LYS A 19 -1.519 8.885 -25.954 1.00 0.00 C ATOM 791 NZ LYS A 19 -2.676 9.807 -25.768 1.00 0.00 N ATOM 0 H LYS A 19 3.923 8.017 -24.510 1.00 0.00 H new ATOM 0 HA LYS A 19 1.850 10.164 -24.178 1.00 0.00 H new ATOM 0 HB2 LYS A 19 1.956 7.219 -23.402 1.00 0.00 H new ATOM 0 HB3 LYS A 19 0.789 8.322 -22.701 1.00 0.00 H new ATOM 0 HG2 LYS A 19 1.145 7.997 -25.722 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -0.007 7.053 -24.799 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -0.949 9.291 -23.909 1.00 0.00 H new ATOM 0 HD3 LYS A 19 0.055 10.095 -25.099 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -1.086 9.022 -26.945 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -1.852 7.849 -25.892 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -3.391 9.618 -26.499 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -3.093 9.655 -24.828 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -2.351 10.792 -25.848 1.00 0.00 H new ATOM 792 N ILE A 20 3.788 8.784 -21.842 1.00 0.00 N ATOM 793 CA ILE A 20 4.442 9.102 -20.528 1.00 0.00 C ATOM 794 C ILE A 20 5.273 10.378 -20.685 1.00 0.00 C ATOM 795 O ILE A 20 5.684 10.730 -21.791 1.00 0.00 O ATOM 796 CB ILE A 20 5.355 7.941 -20.085 1.00 0.00 C ATOM 797 CG1 ILE A 20 4.513 6.666 -19.911 1.00 0.00 C ATOM 798 CG2 ILE A 20 6.035 8.285 -18.753 1.00 0.00 C ATOM 799 CD1 ILE A 20 4.736 5.726 -21.099 1.00 0.00 C ATOM 0 H ILE A 20 3.988 7.855 -22.213 1.00 0.00 H new ATOM 0 HA ILE A 20 3.673 9.246 -19.769 1.00 0.00 H new ATOM 0 HB ILE A 20 6.119 7.779 -20.846 1.00 0.00 H new ATOM 0 HG12 ILE A 20 4.786 6.164 -18.983 1.00 0.00 H new ATOM 0 HG13 ILE A 20 3.457 6.925 -19.835 1.00 0.00 H new ATOM 0 HG21 ILE A 20 6.678 7.459 -18.449 1.00 0.00 H new ATOM 0 HG22 ILE A 20 6.636 9.187 -18.873 1.00 0.00 H new ATOM 0 HG23 ILE A 20 5.275 8.454 -17.990 1.00 0.00 H new ATOM 0 HD11 ILE A 20 4.136 4.825 -20.968 1.00 0.00 H new ATOM 0 HD12 ILE A 20 4.441 6.228 -22.020 1.00 0.00 H new ATOM 0 HD13 ILE A 20 5.790 5.455 -21.155 1.00 0.00 H new ATOM 800 N LYS A 21 5.518 11.089 -19.611 1.00 0.00 N ATOM 801 CA LYS A 21 6.307 12.347 -19.731 1.00 0.00 C ATOM 802 C LYS A 21 7.816 12.033 -19.691 1.00 0.00 C ATOM 803 O LYS A 21 8.221 10.883 -19.838 1.00 0.00 O ATOM 804 CB LYS A 21 5.932 13.305 -18.588 1.00 0.00 C ATOM 805 CG LYS A 21 5.631 14.696 -19.155 1.00 0.00 C ATOM 806 CD LYS A 21 5.831 15.748 -18.062 1.00 0.00 C ATOM 807 CE LYS A 21 4.983 16.981 -18.378 1.00 0.00 C ATOM 808 NZ LYS A 21 5.523 17.658 -19.591 1.00 0.00 N ATOM 0 H LYS A 21 5.208 10.853 -18.668 1.00 0.00 H new ATOM 0 HA LYS A 21 6.077 12.824 -20.684 1.00 0.00 H new ATOM 0 HB2 LYS A 21 5.062 12.924 -18.053 1.00 0.00 H new ATOM 0 HB3 LYS A 21 6.748 13.364 -17.868 1.00 0.00 H new ATOM 0 HG2 LYS A 21 6.287 14.905 -20.000 1.00 0.00 H new ATOM 0 HG3 LYS A 21 4.608 14.734 -19.528 1.00 0.00 H new ATOM 0 HD2 LYS A 21 5.548 15.338 -17.092 1.00 0.00 H new ATOM 0 HD3 LYS A 21 6.883 16.024 -17.997 1.00 0.00 H new ATOM 0 HE2 LYS A 21 3.946 16.690 -18.543 1.00 0.00 H new ATOM 0 HE3 LYS A 21 4.991 17.668 -17.531 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 5.012 18.550 -19.747 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 6.535 17.858 -19.456 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 5.400 17.039 -20.418 1.00 0.00 H new ATOM 809 N LYS A 22 8.660 13.033 -19.514 1.00 0.00 N ATOM 810 CA LYS A 22 10.138 12.774 -19.486 1.00 0.00 C ATOM 811 C LYS A 22 10.589 12.369 -18.075 1.00 0.00 C ATOM 812 O LYS A 22 11.478 11.534 -17.919 1.00 0.00 O ATOM 813 CB LYS A 22 10.891 14.042 -19.893 1.00 0.00 C ATOM 814 CG LYS A 22 10.405 14.514 -21.264 1.00 0.00 C ATOM 815 CD LYS A 22 10.534 16.036 -21.356 1.00 0.00 C ATOM 816 CE LYS A 22 12.013 16.425 -21.357 1.00 0.00 C ATOM 817 NZ LYS A 22 12.137 17.910 -21.348 1.00 0.00 N ATOM 0 H LYS A 22 8.388 14.008 -19.389 1.00 0.00 H new ATOM 0 HA LYS A 22 10.356 11.964 -20.182 1.00 0.00 H new ATOM 0 HB2 LYS A 22 10.732 14.825 -19.151 1.00 0.00 H new ATOM 0 HB3 LYS A 22 11.963 13.846 -19.924 1.00 0.00 H new ATOM 0 HG2 LYS A 22 10.991 14.041 -22.052 1.00 0.00 H new ATOM 0 HG3 LYS A 22 9.367 14.217 -21.416 1.00 0.00 H new ATOM 0 HD2 LYS A 22 10.052 16.398 -22.264 1.00 0.00 H new ATOM 0 HD3 LYS A 22 10.024 16.506 -20.515 1.00 0.00 H new ATOM 0 HE2 LYS A 22 12.512 16.003 -20.485 1.00 0.00 H new ATOM 0 HE3 LYS A 22 12.507 16.014 -22.237 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 13.143 18.174 -21.349 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 11.675 18.302 -22.193 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 11.679 18.291 -20.496 1.00 0.00 H new ATOM 818 N ASP A 23 10.004 12.934 -17.043 1.00 0.00 N ATOM 819 CA ASP A 23 10.421 12.561 -15.658 1.00 0.00 C ATOM 820 C ASP A 23 10.023 11.107 -15.405 1.00 0.00 C ATOM 821 O ASP A 23 10.765 10.353 -14.776 1.00 0.00 O ATOM 822 CB ASP A 23 9.733 13.467 -14.625 1.00 0.00 C ATOM 823 CG ASP A 23 10.245 13.125 -13.224 1.00 0.00 C ATOM 824 OD1 ASP A 23 11.235 13.711 -12.818 1.00 0.00 O ATOM 825 OD2 ASP A 23 9.638 12.285 -12.581 1.00 0.00 O ATOM 0 H ASP A 23 9.262 13.631 -17.102 1.00 0.00 H new ATOM 0 HA ASP A 23 11.500 12.683 -15.560 1.00 0.00 H new ATOM 0 HB2 ASP A 23 9.935 14.514 -14.852 1.00 0.00 H new ATOM 0 HB3 ASP A 23 8.652 13.334 -14.671 1.00 0.00 H new ATOM 826 N GLU A 24 8.870 10.687 -15.883 1.00 0.00 N ATOM 827 CA GLU A 24 8.461 9.273 -15.658 1.00 0.00 C ATOM 828 C GLU A 24 9.333 8.356 -16.529 1.00 0.00 C ATOM 829 O GLU A 24 9.797 7.311 -16.081 1.00 0.00 O ATOM 830 CB GLU A 24 6.987 9.076 -16.026 1.00 0.00 C ATOM 831 CG GLU A 24 6.107 9.404 -14.818 1.00 0.00 C ATOM 832 CD GLU A 24 6.149 8.243 -13.824 1.00 0.00 C ATOM 833 OE1 GLU A 24 5.448 7.271 -14.050 1.00 0.00 O ATOM 834 OE2 GLU A 24 6.882 8.345 -12.855 1.00 0.00 O ATOM 0 H GLU A 24 8.209 11.258 -16.410 1.00 0.00 H new ATOM 0 HA GLU A 24 8.593 9.027 -14.604 1.00 0.00 H new ATOM 0 HB2 GLU A 24 6.723 9.718 -16.866 1.00 0.00 H new ATOM 0 HB3 GLU A 24 6.816 8.048 -16.345 1.00 0.00 H new ATOM 0 HG2 GLU A 24 6.455 10.319 -14.339 1.00 0.00 H new ATOM 0 HG3 GLU A 24 5.081 9.583 -15.140 1.00 0.00 H new ATOM 835 N LEU A 25 9.562 8.724 -17.771 1.00 0.00 N ATOM 836 CA LEU A 25 10.408 7.868 -18.672 1.00 0.00 C ATOM 837 C LEU A 25 11.743 7.525 -17.991 1.00 0.00 C ATOM 838 O LEU A 25 12.258 6.423 -18.155 1.00 0.00 O ATOM 839 CB LEU A 25 10.704 8.615 -19.987 1.00 0.00 C ATOM 840 CG LEU A 25 10.839 7.626 -21.155 1.00 0.00 C ATOM 841 CD1 LEU A 25 11.939 6.600 -20.858 1.00 0.00 C ATOM 842 CD2 LEU A 25 9.502 6.905 -21.383 1.00 0.00 C ATOM 0 H LEU A 25 9.201 9.577 -18.199 1.00 0.00 H new ATOM 0 HA LEU A 25 9.858 6.950 -18.881 1.00 0.00 H new ATOM 0 HB2 LEU A 25 9.904 9.325 -20.196 1.00 0.00 H new ATOM 0 HB3 LEU A 25 11.623 9.192 -19.884 1.00 0.00 H new ATOM 0 HG LEU A 25 11.108 8.179 -22.055 1.00 0.00 H new ATOM 0 HD11 LEU A 25 12.024 5.905 -21.694 1.00 0.00 H new ATOM 0 HD12 LEU A 25 12.889 7.116 -20.717 1.00 0.00 H new ATOM 0 HD13 LEU A 25 11.687 6.049 -19.952 1.00 0.00 H new ATOM 0 HD21 LEU A 25 9.603 6.205 -22.212 1.00 0.00 H new ATOM 0 HD22 LEU A 25 9.224 6.361 -20.481 1.00 0.00 H new ATOM 0 HD23 LEU A 25 8.729 7.637 -21.618 1.00 0.00 H new ATOM 843 N LYS A 26 12.323 8.437 -17.239 1.00 0.00 N ATOM 844 CA LYS A 26 13.631 8.124 -16.574 1.00 0.00 C ATOM 845 C LYS A 26 13.407 7.065 -15.485 1.00 0.00 C ATOM 846 O LYS A 26 14.199 6.136 -15.338 1.00 0.00 O ATOM 847 CB LYS A 26 14.222 9.389 -15.937 1.00 0.00 C ATOM 848 CG LYS A 26 15.728 9.209 -15.739 1.00 0.00 C ATOM 849 CD LYS A 26 16.279 10.377 -14.919 1.00 0.00 C ATOM 850 CE LYS A 26 17.476 9.903 -14.093 1.00 0.00 C ATOM 851 NZ LYS A 26 17.899 10.989 -13.163 1.00 0.00 N ATOM 0 H LYS A 26 11.953 9.370 -17.060 1.00 0.00 H new ATOM 0 HA LYS A 26 14.327 7.746 -17.323 1.00 0.00 H new ATOM 0 HB2 LYS A 26 14.029 10.253 -16.573 1.00 0.00 H new ATOM 0 HB3 LYS A 26 13.740 9.585 -14.979 1.00 0.00 H new ATOM 0 HG2 LYS A 26 15.928 8.267 -15.229 1.00 0.00 H new ATOM 0 HG3 LYS A 26 16.229 9.161 -16.706 1.00 0.00 H new ATOM 0 HD2 LYS A 26 16.579 11.189 -15.581 1.00 0.00 H new ATOM 0 HD3 LYS A 26 15.504 10.771 -14.262 1.00 0.00 H new ATOM 0 HE2 LYS A 26 17.211 9.009 -13.529 1.00 0.00 H new ATOM 0 HE3 LYS A 26 18.301 9.631 -14.751 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 18.713 10.667 -12.601 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 18.168 11.831 -13.712 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 17.112 11.227 -12.527 1.00 0.00 H new ATOM 852 N LYS A 27 12.351 7.184 -14.711 1.00 0.00 N ATOM 853 CA LYS A 27 12.101 6.173 -13.630 1.00 0.00 C ATOM 854 C LYS A 27 12.018 4.754 -14.224 1.00 0.00 C ATOM 855 O LYS A 27 12.405 3.785 -13.571 1.00 0.00 O ATOM 856 CB LYS A 27 10.782 6.487 -12.906 1.00 0.00 C ATOM 857 CG LYS A 27 10.930 6.177 -11.414 1.00 0.00 C ATOM 858 CD LYS A 27 10.470 4.743 -11.142 1.00 0.00 C ATOM 859 CE LYS A 27 9.919 4.645 -9.719 1.00 0.00 C ATOM 860 NZ LYS A 27 11.049 4.591 -8.750 1.00 0.00 N ATOM 0 H LYS A 27 11.658 7.929 -14.779 1.00 0.00 H new ATOM 0 HA LYS A 27 12.930 6.221 -12.924 1.00 0.00 H new ATOM 0 HB2 LYS A 27 10.519 7.536 -13.046 1.00 0.00 H new ATOM 0 HB3 LYS A 27 9.972 5.896 -13.332 1.00 0.00 H new ATOM 0 HG2 LYS A 27 11.969 6.301 -11.107 1.00 0.00 H new ATOM 0 HG3 LYS A 27 10.338 6.878 -10.826 1.00 0.00 H new ATOM 0 HD2 LYS A 27 9.704 4.453 -11.861 1.00 0.00 H new ATOM 0 HD3 LYS A 27 11.304 4.052 -11.269 1.00 0.00 H new ATOM 0 HE2 LYS A 27 9.283 5.504 -9.504 1.00 0.00 H new ATOM 0 HE3 LYS A 27 9.298 3.755 -9.619 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 10.674 4.524 -7.782 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 11.639 3.758 -8.951 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 11.625 5.453 -8.839 1.00 0.00 H new ATOM 861 N SER A 28 11.512 4.594 -15.432 1.00 0.00 N ATOM 862 CA SER A 28 11.410 3.212 -16.011 1.00 0.00 C ATOM 863 C SER A 28 12.794 2.717 -16.467 1.00 0.00 C ATOM 864 O SER A 28 13.195 1.600 -16.151 1.00 0.00 O ATOM 865 CB SER A 28 10.453 3.210 -17.209 1.00 0.00 C ATOM 866 OG SER A 28 9.140 3.519 -16.760 1.00 0.00 O ATOM 0 H SER A 28 11.172 5.347 -16.030 1.00 0.00 H new ATOM 0 HA SER A 28 11.027 2.545 -15.238 1.00 0.00 H new ATOM 0 HB2 SER A 28 10.778 3.940 -17.950 1.00 0.00 H new ATOM 0 HB3 SER A 28 10.463 2.235 -17.696 1.00 0.00 H new ATOM 0 HG SER A 28 8.617 3.883 -17.504 1.00 0.00 H new ATOM 867 N LEU A 29 13.530 3.514 -17.211 1.00 0.00 N ATOM 868 CA LEU A 29 14.882 3.059 -17.687 1.00 0.00 C ATOM 869 C LEU A 29 15.746 2.586 -16.504 1.00 0.00 C ATOM 870 O LEU A 29 16.566 1.679 -16.652 1.00 0.00 O ATOM 871 CB LEU A 29 15.604 4.205 -18.408 1.00 0.00 C ATOM 872 CG LEU A 29 14.924 4.472 -19.752 1.00 0.00 C ATOM 873 CD1 LEU A 29 15.351 5.844 -20.277 1.00 0.00 C ATOM 874 CD2 LEU A 29 15.338 3.393 -20.754 1.00 0.00 C ATOM 0 H LEU A 29 13.257 4.451 -17.507 1.00 0.00 H new ATOM 0 HA LEU A 29 14.733 2.228 -18.376 1.00 0.00 H new ATOM 0 HB2 LEU A 29 15.584 5.105 -17.793 1.00 0.00 H new ATOM 0 HB3 LEU A 29 16.652 3.948 -18.563 1.00 0.00 H new ATOM 0 HG LEU A 29 13.842 4.454 -19.622 1.00 0.00 H new ATOM 0 HD11 LEU A 29 14.866 6.034 -21.235 1.00 0.00 H new ATOM 0 HD12 LEU A 29 15.058 6.614 -19.563 1.00 0.00 H new ATOM 0 HD13 LEU A 29 16.433 5.863 -20.408 1.00 0.00 H new ATOM 0 HD21 LEU A 29 14.854 3.582 -21.712 1.00 0.00 H new ATOM 0 HD22 LEU A 29 16.420 3.413 -20.884 1.00 0.00 H new ATOM 0 HD23 LEU A 29 15.035 2.415 -20.381 1.00 0.00 H new ATOM 875 N HIS A 30 15.600 3.178 -15.338 1.00 0.00 N ATOM 876 CA HIS A 30 16.441 2.741 -14.178 1.00 0.00 C ATOM 877 C HIS A 30 15.907 1.417 -13.614 1.00 0.00 C ATOM 878 O HIS A 30 16.679 0.527 -13.266 1.00 0.00 O ATOM 879 CB HIS A 30 16.419 3.807 -13.075 1.00 0.00 C ATOM 880 CG HIS A 30 17.658 3.682 -12.232 1.00 0.00 C ATOM 881 ND1 HIS A 30 17.682 2.950 -11.056 1.00 0.00 N ATOM 882 CD2 HIS A 30 18.925 4.191 -12.381 1.00 0.00 C ATOM 883 CE1 HIS A 30 18.924 3.037 -10.548 1.00 0.00 C ATOM 884 NE2 HIS A 30 19.723 3.782 -11.317 1.00 0.00 N ATOM 0 H HIS A 30 14.944 3.934 -15.143 1.00 0.00 H new ATOM 0 HA HIS A 30 17.465 2.603 -14.524 1.00 0.00 H new ATOM 0 HB2 HIS A 30 16.366 4.802 -13.517 1.00 0.00 H new ATOM 0 HB3 HIS A 30 15.531 3.686 -12.455 1.00 0.00 H new ATOM 0 HD1 HIS A 30 16.899 2.438 -10.649 1.00 0.00 H new ATOM 0 HD2 HIS A 30 19.252 4.814 -13.200 1.00 0.00 H new ATOM 0 HE1 HIS A 30 19.237 2.562 -9.630 1.00 0.00 H new ATOM 885 N ALA A 31 14.608 1.267 -13.509 1.00 0.00 N ATOM 886 CA ALA A 31 14.048 -0.010 -12.951 1.00 0.00 C ATOM 887 C ALA A 31 14.484 -1.221 -13.800 1.00 0.00 C ATOM 888 O ALA A 31 14.607 -2.330 -13.280 1.00 0.00 O ATOM 889 CB ALA A 31 12.514 0.053 -12.923 1.00 0.00 C ATOM 0 H ALA A 31 13.916 1.964 -13.782 1.00 0.00 H new ATOM 0 HA ALA A 31 14.433 -0.129 -11.938 1.00 0.00 H new ATOM 0 HB1 ALA A 31 12.119 -0.878 -12.517 1.00 0.00 H new ATOM 0 HB2 ALA A 31 12.195 0.886 -12.297 1.00 0.00 H new ATOM 0 HB3 ALA A 31 12.137 0.196 -13.936 1.00 0.00 H new ATOM 890 N ILE A 32 14.699 -1.056 -15.090 1.00 0.00 N ATOM 891 CA ILE A 32 15.094 -2.215 -15.928 1.00 0.00 C ATOM 892 C ILE A 32 16.609 -2.471 -15.853 1.00 0.00 C ATOM 893 O ILE A 32 17.037 -3.586 -15.553 1.00 0.00 O ATOM 894 CB ILE A 32 14.677 -2.029 -17.407 1.00 0.00 C ATOM 895 CG1 ILE A 32 14.558 -0.560 -17.855 1.00 0.00 C ATOM 896 CG2 ILE A 32 13.328 -2.698 -17.629 1.00 0.00 C ATOM 897 CD1 ILE A 32 14.523 -0.497 -19.383 1.00 0.00 C ATOM 0 H ILE A 32 14.616 -0.169 -15.586 1.00 0.00 H new ATOM 0 HA ILE A 32 14.566 -3.079 -15.526 1.00 0.00 H new ATOM 0 HB ILE A 32 15.472 -2.480 -18.001 1.00 0.00 H new ATOM 0 HG12 ILE A 32 13.654 -0.114 -17.441 1.00 0.00 H new ATOM 0 HG13 ILE A 32 15.401 0.017 -17.475 1.00 0.00 H new ATOM 0 HG21 ILE A 32 13.026 -2.572 -18.669 1.00 0.00 H new ATOM 0 HG22 ILE A 32 13.407 -3.761 -17.400 1.00 0.00 H new ATOM 0 HG23 ILE A 32 12.584 -2.241 -16.977 1.00 0.00 H new ATOM 0 HD11 ILE A 32 14.439 0.542 -19.702 1.00 0.00 H new ATOM 0 HD12 ILE A 32 15.440 -0.927 -19.786 1.00 0.00 H new ATOM 0 HD13 ILE A 32 13.665 -1.060 -19.751 1.00 0.00 H new ATOM 898 N PHE A 33 17.433 -1.491 -16.139 1.00 0.00 N ATOM 899 CA PHE A 33 18.913 -1.730 -16.099 1.00 0.00 C ATOM 900 C PHE A 33 19.501 -1.303 -14.742 1.00 0.00 C ATOM 901 O PHE A 33 20.518 -0.610 -14.690 1.00 0.00 O ATOM 902 CB PHE A 33 19.593 -0.931 -17.215 1.00 0.00 C ATOM 903 CG PHE A 33 18.905 -1.202 -18.532 1.00 0.00 C ATOM 904 CD1 PHE A 33 18.700 -2.519 -18.958 1.00 0.00 C ATOM 905 CD2 PHE A 33 18.476 -0.133 -19.327 1.00 0.00 C ATOM 906 CE1 PHE A 33 18.064 -2.768 -20.180 1.00 0.00 C ATOM 907 CE2 PHE A 33 17.839 -0.382 -20.549 1.00 0.00 C ATOM 908 CZ PHE A 33 17.634 -1.699 -20.976 1.00 0.00 C ATOM 0 H PHE A 33 17.150 -0.545 -16.396 1.00 0.00 H new ATOM 0 HA PHE A 33 19.092 -2.796 -16.239 1.00 0.00 H new ATOM 0 HB2 PHE A 33 19.555 0.134 -16.987 1.00 0.00 H new ATOM 0 HB3 PHE A 33 20.646 -1.205 -17.281 1.00 0.00 H new ATOM 0 HD1 PHE A 33 19.032 -3.343 -18.344 1.00 0.00 H new ATOM 0 HD2 PHE A 33 18.636 0.883 -18.998 1.00 0.00 H new ATOM 0 HE1 PHE A 33 17.905 -3.784 -20.509 1.00 0.00 H new ATOM 0 HE2 PHE A 33 17.506 0.442 -21.162 1.00 0.00 H new ATOM 0 HZ PHE A 33 17.144 -1.891 -21.919 1.00 0.00 H new ATOM 909 N SER A 34 18.906 -1.706 -13.639 1.00 0.00 N ATOM 910 CA SER A 34 19.468 -1.315 -12.312 1.00 0.00 C ATOM 911 C SER A 34 19.921 -2.573 -11.554 1.00 0.00 C ATOM 912 O SER A 34 21.082 -2.689 -11.166 1.00 0.00 O ATOM 913 CB SER A 34 18.399 -0.589 -11.495 1.00 0.00 C ATOM 914 OG SER A 34 17.134 -1.210 -11.721 1.00 0.00 O ATOM 0 H SER A 34 18.065 -2.282 -13.605 1.00 0.00 H new ATOM 0 HA SER A 34 20.321 -0.654 -12.464 1.00 0.00 H new ATOM 0 HB2 SER A 34 18.650 -0.622 -10.435 1.00 0.00 H new ATOM 0 HB3 SER A 34 18.358 0.462 -11.780 1.00 0.00 H new ATOM 0 HG SER A 34 16.568 -0.614 -12.255 1.00 0.00 H new ATOM 915 N ARG A 35 19.031 -3.520 -11.327 1.00 0.00 N ATOM 916 CA ARG A 35 19.432 -4.764 -10.585 1.00 0.00 C ATOM 917 C ARG A 35 20.719 -5.365 -11.186 1.00 0.00 C ATOM 918 O ARG A 35 21.539 -5.931 -10.464 1.00 0.00 O ATOM 919 CB ARG A 35 18.309 -5.811 -10.651 1.00 0.00 C ATOM 920 CG ARG A 35 17.983 -6.133 -12.111 1.00 0.00 C ATOM 921 CD ARG A 35 16.506 -6.506 -12.233 1.00 0.00 C ATOM 922 NE ARG A 35 16.301 -7.895 -11.733 1.00 0.00 N ATOM 923 CZ ARG A 35 15.541 -8.722 -12.397 1.00 0.00 C ATOM 924 NH1 ARG A 35 15.728 -8.895 -13.678 1.00 0.00 N ATOM 925 NH2 ARG A 35 14.593 -9.374 -11.782 1.00 0.00 N ATOM 0 H ARG A 35 18.055 -3.485 -11.621 1.00 0.00 H new ATOM 0 HA ARG A 35 19.615 -4.491 -9.546 1.00 0.00 H new ATOM 0 HB2 ARG A 35 18.614 -6.718 -10.129 1.00 0.00 H new ATOM 0 HB3 ARG A 35 17.420 -5.436 -10.145 1.00 0.00 H new ATOM 0 HG2 ARG A 35 18.205 -5.273 -12.743 1.00 0.00 H new ATOM 0 HG3 ARG A 35 18.607 -6.955 -12.461 1.00 0.00 H new ATOM 0 HD2 ARG A 35 15.895 -5.808 -11.660 1.00 0.00 H new ATOM 0 HD3 ARG A 35 16.186 -6.431 -13.272 1.00 0.00 H new ATOM 0 HE ARG A 35 16.755 -8.199 -10.872 1.00 0.00 H new ATOM 0 HH11 ARG A 35 16.468 -8.384 -14.159 1.00 0.00 H new ATOM 0 HH12 ARG A 35 15.134 -9.541 -14.197 1.00 0.00 H new ATOM 0 HH21 ARG A 35 14.446 -9.237 -10.782 1.00 0.00 H new ATOM 0 HH22 ARG A 35 13.999 -10.020 -12.301 1.00 0.00 H new ATOM 926 N PHE A 36 20.924 -5.258 -12.485 1.00 0.00 N ATOM 927 CA PHE A 36 22.171 -5.834 -13.090 1.00 0.00 C ATOM 928 C PHE A 36 23.401 -5.232 -12.393 1.00 0.00 C ATOM 929 O PHE A 36 24.171 -5.945 -11.749 1.00 0.00 O ATOM 930 CB PHE A 36 22.237 -5.514 -14.590 1.00 0.00 C ATOM 931 CG PHE A 36 21.614 -6.644 -15.374 1.00 0.00 C ATOM 932 CD1 PHE A 36 20.229 -6.674 -15.580 1.00 0.00 C ATOM 933 CD2 PHE A 36 22.421 -7.663 -15.894 1.00 0.00 C ATOM 934 CE1 PHE A 36 19.652 -7.721 -16.307 1.00 0.00 C ATOM 935 CE2 PHE A 36 21.843 -8.711 -16.621 1.00 0.00 C ATOM 936 CZ PHE A 36 20.459 -8.740 -16.828 1.00 0.00 C ATOM 0 H PHE A 36 20.290 -4.803 -13.142 1.00 0.00 H new ATOM 0 HA PHE A 36 22.157 -6.916 -12.958 1.00 0.00 H new ATOM 0 HB2 PHE A 36 21.713 -4.581 -14.797 1.00 0.00 H new ATOM 0 HB3 PHE A 36 23.273 -5.372 -14.897 1.00 0.00 H new ATOM 0 HD1 PHE A 36 19.606 -5.889 -15.178 1.00 0.00 H new ATOM 0 HD2 PHE A 36 23.489 -7.641 -15.735 1.00 0.00 H new ATOM 0 HE1 PHE A 36 18.584 -7.743 -16.466 1.00 0.00 H new ATOM 0 HE2 PHE A 36 22.465 -9.497 -17.022 1.00 0.00 H new ATOM 0 HZ PHE A 36 20.014 -9.548 -17.389 1.00 0.00 H new ATOM 937 N GLY A 37 23.607 -3.937 -12.504 1.00 0.00 N ATOM 938 CA GLY A 37 24.789 -3.312 -11.842 1.00 0.00 C ATOM 939 C GLY A 37 24.400 -1.930 -11.302 1.00 0.00 C ATOM 940 O GLY A 37 23.496 -1.809 -10.477 1.00 0.00 O ATOM 0 H GLY A 37 23.008 -3.294 -13.022 1.00 0.00 H new ATOM 0 HA2 GLY A 37 25.141 -3.946 -11.029 1.00 0.00 H new ATOM 0 HA3 GLY A 37 25.610 -3.219 -12.552 1.00 0.00 H new ATOM 941 N GLN A 38 25.059 -0.881 -11.744 1.00 0.00 N ATOM 942 CA GLN A 38 24.711 0.481 -11.246 1.00 0.00 C ATOM 943 C GLN A 38 24.525 1.430 -12.438 1.00 0.00 C ATOM 944 O GLN A 38 25.233 1.330 -13.438 1.00 0.00 O ATOM 945 CB GLN A 38 25.838 1.001 -10.350 1.00 0.00 C ATOM 946 CG GLN A 38 25.331 2.192 -9.533 1.00 0.00 C ATOM 947 CD GLN A 38 26.510 3.101 -9.164 1.00 0.00 C ATOM 948 OE1 GLN A 38 26.706 4.146 -9.781 1.00 0.00 O ATOM 949 NE2 GLN A 38 27.314 2.764 -8.185 1.00 0.00 N ATOM 0 H GLN A 38 25.818 -0.914 -12.425 1.00 0.00 H new ATOM 0 HA GLN A 38 23.785 0.432 -10.673 1.00 0.00 H new ATOM 0 HB2 GLN A 38 26.182 0.210 -9.684 1.00 0.00 H new ATOM 0 HB3 GLN A 38 26.692 1.300 -10.958 1.00 0.00 H new ATOM 0 HG2 GLN A 38 24.593 2.752 -10.107 1.00 0.00 H new ATOM 0 HG3 GLN A 38 24.833 1.841 -8.629 1.00 0.00 H new ATOM 0 HE21 GLN A 38 27.155 1.898 -7.670 1.00 0.00 H new ATOM 0 HE22 GLN A 38 28.098 3.368 -7.938 1.00 0.00 H new ATOM 950 N ILE A 39 23.587 2.349 -12.360 1.00 0.00 N ATOM 951 CA ILE A 39 23.374 3.291 -13.496 1.00 0.00 C ATOM 952 C ILE A 39 23.869 4.690 -13.103 1.00 0.00 C ATOM 953 O ILE A 39 23.290 5.339 -12.231 1.00 0.00 O ATOM 954 CB ILE A 39 21.884 3.358 -13.829 1.00 0.00 C ATOM 955 CG1 ILE A 39 21.360 1.948 -14.109 1.00 0.00 C ATOM 956 CG2 ILE A 39 21.675 4.230 -15.067 1.00 0.00 C ATOM 957 CD1 ILE A 39 19.840 1.990 -14.281 1.00 0.00 C ATOM 0 H ILE A 39 22.966 2.482 -11.562 1.00 0.00 H new ATOM 0 HA ILE A 39 23.928 2.939 -14.366 1.00 0.00 H new ATOM 0 HB ILE A 39 21.344 3.788 -12.985 1.00 0.00 H new ATOM 0 HG12 ILE A 39 21.827 1.548 -15.009 1.00 0.00 H new ATOM 0 HG13 ILE A 39 21.625 1.281 -13.289 1.00 0.00 H new ATOM 0 HG21 ILE A 39 20.612 4.277 -15.304 1.00 0.00 H new ATOM 0 HG22 ILE A 39 22.048 5.235 -14.871 1.00 0.00 H new ATOM 0 HG23 ILE A 39 22.216 3.800 -15.910 1.00 0.00 H new ATOM 0 HD11 ILE A 39 19.468 0.985 -14.480 1.00 0.00 H new ATOM 0 HD12 ILE A 39 19.381 2.372 -13.369 1.00 0.00 H new ATOM 0 HD13 ILE A 39 19.586 2.643 -15.116 1.00 0.00 H new ATOM 958 N LEU A 40 24.924 5.176 -13.722 1.00 0.00 N ATOM 959 CA LEU A 40 25.432 6.541 -13.360 1.00 0.00 C ATOM 960 C LEU A 40 24.314 7.571 -13.582 1.00 0.00 C ATOM 961 O LEU A 40 24.124 8.476 -12.771 1.00 0.00 O ATOM 962 CB LEU A 40 26.652 6.913 -14.224 1.00 0.00 C ATOM 963 CG LEU A 40 27.911 6.961 -13.352 1.00 0.00 C ATOM 964 CD1 LEU A 40 28.207 5.566 -12.802 1.00 0.00 C ATOM 965 CD2 LEU A 40 29.096 7.439 -14.194 1.00 0.00 C ATOM 0 H LEU A 40 25.448 4.694 -14.452 1.00 0.00 H new ATOM 0 HA LEU A 40 25.735 6.538 -12.313 1.00 0.00 H new ATOM 0 HB2 LEU A 40 26.780 6.182 -15.023 1.00 0.00 H new ATOM 0 HB3 LEU A 40 26.491 7.880 -14.700 1.00 0.00 H new ATOM 0 HG LEU A 40 27.751 7.650 -12.523 1.00 0.00 H new ATOM 0 HD11 LEU A 40 29.103 5.602 -12.182 1.00 0.00 H new ATOM 0 HD12 LEU A 40 27.364 5.225 -12.202 1.00 0.00 H new ATOM 0 HD13 LEU A 40 28.366 4.875 -13.630 1.00 0.00 H new ATOM 0 HD21 LEU A 40 29.992 7.473 -13.574 1.00 0.00 H new ATOM 0 HD22 LEU A 40 29.255 6.750 -15.023 1.00 0.00 H new ATOM 0 HD23 LEU A 40 28.887 8.435 -14.585 1.00 0.00 H new ATOM 966 N ASP A 41 23.570 7.459 -14.661 1.00 0.00 N ATOM 967 CA ASP A 41 22.471 8.446 -14.908 1.00 0.00 C ATOM 968 C ASP A 41 21.720 8.108 -16.211 1.00 0.00 C ATOM 969 O ASP A 41 22.196 7.323 -17.032 1.00 0.00 O ATOM 970 CB ASP A 41 23.067 9.852 -15.022 1.00 0.00 C ATOM 971 CG ASP A 41 22.095 10.869 -14.423 1.00 0.00 C ATOM 972 OD1 ASP A 41 22.021 10.941 -13.206 1.00 0.00 O ATOM 973 OD2 ASP A 41 21.443 11.558 -15.187 1.00 0.00 O ATOM 0 H ASP A 41 23.676 6.735 -15.372 1.00 0.00 H new ATOM 0 HA ASP A 41 21.769 8.402 -14.075 1.00 0.00 H new ATOM 0 HB2 ASP A 41 24.023 9.896 -14.501 1.00 0.00 H new ATOM 0 HB3 ASP A 41 23.262 10.092 -16.067 1.00 0.00 H new ATOM 974 N ILE A 42 20.558 8.688 -16.419 1.00 0.00 N ATOM 975 CA ILE A 42 19.790 8.402 -17.665 1.00 0.00 C ATOM 976 C ILE A 42 19.324 9.731 -18.278 1.00 0.00 C ATOM 977 O ILE A 42 18.718 10.558 -17.597 1.00 0.00 O ATOM 978 CB ILE A 42 18.574 7.537 -17.326 1.00 0.00 C ATOM 979 CG1 ILE A 42 19.034 6.281 -16.584 1.00 0.00 C ATOM 980 CG2 ILE A 42 17.856 7.133 -18.614 1.00 0.00 C ATOM 981 CD1 ILE A 42 17.829 5.607 -15.925 1.00 0.00 C ATOM 0 H ILE A 42 20.114 9.345 -15.778 1.00 0.00 H new ATOM 0 HA ILE A 42 20.421 7.870 -18.377 1.00 0.00 H new ATOM 0 HB ILE A 42 17.891 8.105 -16.694 1.00 0.00 H new ATOM 0 HG12 ILE A 42 19.515 5.592 -17.278 1.00 0.00 H new ATOM 0 HG13 ILE A 42 19.775 6.543 -15.829 1.00 0.00 H new ATOM 0 HG21 ILE A 42 16.990 6.517 -18.370 1.00 0.00 H new ATOM 0 HG22 ILE A 42 17.527 8.027 -19.143 1.00 0.00 H new ATOM 0 HG23 ILE A 42 18.538 6.566 -19.248 1.00 0.00 H new ATOM 0 HD11 ILE A 42 18.157 4.712 -15.396 1.00 0.00 H new ATOM 0 HD12 ILE A 42 17.367 6.297 -15.219 1.00 0.00 H new ATOM 0 HD13 ILE A 42 17.103 5.331 -16.690 1.00 0.00 H new ATOM 982 N LEU A 43 19.601 9.967 -19.543 1.00 0.00 N ATOM 983 CA LEU A 43 19.176 11.254 -20.167 1.00 0.00 C ATOM 984 C LEU A 43 17.937 11.030 -21.050 1.00 0.00 C ATOM 985 O LEU A 43 17.831 10.021 -21.745 1.00 0.00 O ATOM 986 CB LEU A 43 20.316 11.803 -21.026 1.00 0.00 C ATOM 987 CG LEU A 43 21.399 12.396 -20.122 1.00 0.00 C ATOM 988 CD1 LEU A 43 22.277 11.272 -19.570 1.00 0.00 C ATOM 989 CD2 LEU A 43 22.262 13.365 -20.932 1.00 0.00 C ATOM 0 H LEU A 43 20.099 9.326 -20.161 1.00 0.00 H new ATOM 0 HA LEU A 43 18.930 11.966 -19.380 1.00 0.00 H new ATOM 0 HB2 LEU A 43 20.737 11.008 -21.641 1.00 0.00 H new ATOM 0 HB3 LEU A 43 19.938 12.566 -21.706 1.00 0.00 H new ATOM 0 HG LEU A 43 20.930 12.929 -19.295 1.00 0.00 H new ATOM 0 HD11 LEU A 43 23.048 11.695 -18.926 1.00 0.00 H new ATOM 0 HD12 LEU A 43 21.663 10.580 -18.994 1.00 0.00 H new ATOM 0 HD13 LEU A 43 22.747 10.738 -20.396 1.00 0.00 H new ATOM 0 HD21 LEU A 43 23.034 13.789 -20.290 1.00 0.00 H new ATOM 0 HD22 LEU A 43 22.730 12.831 -21.759 1.00 0.00 H new ATOM 0 HD23 LEU A 43 21.637 14.167 -21.325 1.00 0.00 H new ATOM 990 N VAL A 44 17.003 11.957 -21.049 1.00 0.00 N ATOM 991 CA VAL A 44 15.787 11.798 -21.899 1.00 0.00 C ATOM 992 C VAL A 44 15.445 13.154 -22.534 1.00 0.00 C ATOM 993 O VAL A 44 15.246 14.144 -21.831 1.00 0.00 O ATOM 994 CB VAL A 44 14.608 11.317 -21.044 1.00 0.00 C ATOM 995 CG1 VAL A 44 14.850 9.873 -20.601 1.00 0.00 C ATOM 996 CG2 VAL A 44 14.465 12.209 -19.807 1.00 0.00 C ATOM 0 H VAL A 44 17.035 12.813 -20.496 1.00 0.00 H new ATOM 0 HA VAL A 44 15.980 11.060 -22.678 1.00 0.00 H new ATOM 0 HB VAL A 44 13.694 11.370 -21.636 1.00 0.00 H new ATOM 0 HG11 VAL A 44 14.011 9.533 -19.994 1.00 0.00 H new ATOM 0 HG12 VAL A 44 14.945 9.234 -21.479 1.00 0.00 H new ATOM 0 HG13 VAL A 44 15.767 9.821 -20.014 1.00 0.00 H new ATOM 0 HG21 VAL A 44 13.626 11.863 -19.204 1.00 0.00 H new ATOM 0 HG22 VAL A 44 15.380 12.162 -19.217 1.00 0.00 H new ATOM 0 HG23 VAL A 44 14.287 13.238 -20.119 1.00 0.00 H new ATOM 997 N SER A 45 15.382 13.232 -23.846 1.00 0.00 N ATOM 998 CA SER A 45 15.064 14.537 -24.498 1.00 0.00 C ATOM 999 C SER A 45 13.673 14.475 -25.144 1.00 0.00 C ATOM 1000 O SER A 45 13.131 13.395 -25.371 1.00 0.00 O ATOM 1001 CB SER A 45 16.113 14.837 -25.570 1.00 0.00 C ATOM 1002 OG SER A 45 17.063 15.759 -25.053 1.00 0.00 O ATOM 0 H SER A 45 15.537 12.452 -24.485 1.00 0.00 H new ATOM 0 HA SER A 45 15.072 15.326 -23.746 1.00 0.00 H new ATOM 0 HB2 SER A 45 16.611 13.917 -25.875 1.00 0.00 H new ATOM 0 HB3 SER A 45 15.634 15.250 -26.458 1.00 0.00 H new ATOM 0 HG SER A 45 17.738 15.952 -25.737 1.00 0.00 H new ATOM 1003 N ARG A 46 13.080 15.611 -25.449 1.00 0.00 N ATOM 1004 CA ARG A 46 11.730 15.598 -26.082 1.00 0.00 C ATOM 1005 C ARG A 46 11.789 16.268 -27.468 1.00 0.00 C ATOM 1006 O ARG A 46 10.832 16.916 -27.889 1.00 0.00 O ATOM 1007 CB ARG A 46 10.746 16.361 -25.192 1.00 0.00 C ATOM 1008 CG ARG A 46 9.321 15.871 -25.463 1.00 0.00 C ATOM 1009 CD ARG A 46 8.951 14.770 -24.464 1.00 0.00 C ATOM 1010 NE ARG A 46 7.565 14.995 -23.967 1.00 0.00 N ATOM 1011 CZ ARG A 46 6.552 14.877 -24.781 1.00 0.00 C ATOM 1012 NH1 ARG A 46 6.128 13.692 -25.127 1.00 0.00 N ATOM 1013 NH2 ARG A 46 5.963 15.943 -25.249 1.00 0.00 N ATOM 0 H ARG A 46 13.475 16.537 -25.286 1.00 0.00 H new ATOM 0 HA ARG A 46 11.400 14.566 -26.199 1.00 0.00 H new ATOM 0 HB2 ARG A 46 10.999 16.212 -24.142 1.00 0.00 H new ATOM 0 HB3 ARG A 46 10.817 17.431 -25.388 1.00 0.00 H new ATOM 0 HG2 ARG A 46 8.619 16.701 -25.380 1.00 0.00 H new ATOM 0 HG3 ARG A 46 9.245 15.491 -26.482 1.00 0.00 H new ATOM 0 HD2 ARG A 46 9.023 13.792 -24.941 1.00 0.00 H new ATOM 0 HD3 ARG A 46 9.652 14.771 -23.630 1.00 0.00 H new ATOM 0 HE ARG A 46 7.408 15.241 -22.990 1.00 0.00 H new ATOM 0 HH11 ARG A 46 6.588 12.859 -24.761 1.00 0.00 H new ATOM 0 HH12 ARG A 46 5.336 13.599 -25.763 1.00 0.00 H new ATOM 0 HH21 ARG A 46 6.294 16.869 -24.979 1.00 0.00 H new ATOM 0 HH22 ARG A 46 5.171 15.850 -25.885 1.00 0.00 H new ATOM 1014 N SER A 47 12.879 16.122 -28.194 1.00 0.00 N ATOM 1015 CA SER A 47 12.961 16.749 -29.545 1.00 0.00 C ATOM 1016 C SER A 47 12.690 15.675 -30.611 1.00 0.00 C ATOM 1017 O SER A 47 12.623 14.488 -30.297 1.00 0.00 O ATOM 1018 CB SER A 47 14.356 17.350 -29.747 1.00 0.00 C ATOM 1019 OG SER A 47 15.227 16.357 -30.276 1.00 0.00 O ATOM 0 H SER A 47 13.706 15.599 -27.906 1.00 0.00 H new ATOM 0 HA SER A 47 12.219 17.543 -29.633 1.00 0.00 H new ATOM 0 HB2 SER A 47 14.302 18.201 -30.426 1.00 0.00 H new ATOM 0 HB3 SER A 47 14.744 17.722 -28.799 1.00 0.00 H new ATOM 0 HG SER A 47 16.119 16.741 -30.407 1.00 0.00 H new ATOM 1020 N LEU A 48 12.520 16.053 -31.862 1.00 0.00 N ATOM 1021 CA LEU A 48 12.240 15.021 -32.920 1.00 0.00 C ATOM 1022 C LEU A 48 13.322 13.930 -32.891 1.00 0.00 C ATOM 1023 O LEU A 48 13.023 12.753 -32.697 1.00 0.00 O ATOM 1024 CB LEU A 48 12.222 15.669 -34.311 1.00 0.00 C ATOM 1025 CG LEU A 48 11.609 14.701 -35.327 1.00 0.00 C ATOM 1026 CD1 LEU A 48 10.727 15.482 -36.302 1.00 0.00 C ATOM 1027 CD2 LEU A 48 12.724 13.995 -36.102 1.00 0.00 C ATOM 0 H LEU A 48 12.562 17.017 -32.192 1.00 0.00 H new ATOM 0 HA LEU A 48 11.265 14.579 -32.716 1.00 0.00 H new ATOM 0 HB2 LEU A 48 11.646 16.594 -34.284 1.00 0.00 H new ATOM 0 HB3 LEU A 48 13.236 15.933 -34.612 1.00 0.00 H new ATOM 0 HG LEU A 48 11.007 13.958 -34.803 1.00 0.00 H new ATOM 0 HD11 LEU A 48 10.289 14.795 -37.027 1.00 0.00 H new ATOM 0 HD12 LEU A 48 9.932 15.984 -35.751 1.00 0.00 H new ATOM 0 HD13 LEU A 48 11.331 16.224 -36.824 1.00 0.00 H new ATOM 0 HD21 LEU A 48 12.285 13.307 -36.824 1.00 0.00 H new ATOM 0 HD22 LEU A 48 13.328 14.736 -36.627 1.00 0.00 H new ATOM 0 HD23 LEU A 48 13.354 13.439 -35.408 1.00 0.00 H new ATOM 1028 N LYS A 49 14.573 14.287 -33.086 1.00 0.00 N ATOM 1029 CA LYS A 49 15.655 13.246 -33.072 1.00 0.00 C ATOM 1030 C LYS A 49 15.619 12.472 -31.742 1.00 0.00 C ATOM 1031 O LYS A 49 15.869 11.267 -31.714 1.00 0.00 O ATOM 1032 CB LYS A 49 17.031 13.905 -33.234 1.00 0.00 C ATOM 1033 CG LYS A 49 17.989 12.924 -33.913 1.00 0.00 C ATOM 1034 CD LYS A 49 19.005 13.700 -34.754 1.00 0.00 C ATOM 1035 CE LYS A 49 18.378 14.073 -36.099 1.00 0.00 C ATOM 1036 NZ LYS A 49 19.442 14.148 -37.140 1.00 0.00 N ATOM 0 H LYS A 49 14.889 15.243 -33.252 1.00 0.00 H new ATOM 0 HA LYS A 49 15.486 12.559 -33.902 1.00 0.00 H new ATOM 0 HB2 LYS A 49 16.943 14.814 -33.828 1.00 0.00 H new ATOM 0 HB3 LYS A 49 17.423 14.198 -32.260 1.00 0.00 H new ATOM 0 HG2 LYS A 49 18.505 12.325 -33.163 1.00 0.00 H new ATOM 0 HG3 LYS A 49 17.431 12.233 -34.545 1.00 0.00 H new ATOM 0 HD2 LYS A 49 19.319 14.600 -34.225 1.00 0.00 H new ATOM 0 HD3 LYS A 49 19.898 13.096 -34.913 1.00 0.00 H new ATOM 0 HE2 LYS A 49 17.630 13.332 -36.381 1.00 0.00 H new ATOM 0 HE3 LYS A 49 17.864 15.031 -36.019 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 19.016 14.402 -38.054 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 20.140 14.870 -36.871 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 19.913 13.225 -37.222 1.00 0.00 H new ATOM 1037 N MET A 50 15.324 13.128 -30.639 1.00 0.00 N ATOM 1038 CA MET A 50 15.290 12.407 -29.332 1.00 0.00 C ATOM 1039 C MET A 50 13.837 12.074 -28.959 1.00 0.00 C ATOM 1040 O MET A 50 13.409 12.300 -27.827 1.00 0.00 O ATOM 1041 CB MET A 50 15.903 13.294 -28.244 1.00 0.00 C ATOM 1042 CG MET A 50 17.315 13.717 -28.658 1.00 0.00 C ATOM 1043 SD MET A 50 18.523 12.602 -27.900 1.00 0.00 S ATOM 1044 CE MET A 50 19.375 12.124 -29.424 1.00 0.00 C ATOM 0 H MET A 50 15.108 14.124 -30.593 1.00 0.00 H new ATOM 0 HA MET A 50 15.861 11.483 -29.417 1.00 0.00 H new ATOM 0 HB2 MET A 50 15.281 14.175 -28.086 1.00 0.00 H new ATOM 0 HB3 MET A 50 15.937 12.754 -27.298 1.00 0.00 H new ATOM 0 HG2 MET A 50 17.411 13.691 -29.743 1.00 0.00 H new ATOM 0 HG3 MET A 50 17.505 14.744 -28.346 1.00 0.00 H new ATOM 0 HE1 MET A 50 20.347 11.696 -29.179 1.00 0.00 H new ATOM 0 HE2 MET A 50 18.778 11.385 -29.958 1.00 0.00 H new ATOM 0 HE3 MET A 50 19.514 13.002 -30.054 1.00 0.00 H new ATOM 1045 N ARG A 51 13.063 11.537 -29.880 1.00 0.00 N ATOM 1046 CA ARG A 51 11.648 11.196 -29.552 1.00 0.00 C ATOM 1047 C ARG A 51 11.487 9.669 -29.520 1.00 0.00 C ATOM 1048 O ARG A 51 11.913 8.970 -30.438 1.00 0.00 O ATOM 1049 CB ARG A 51 10.716 11.789 -30.618 1.00 0.00 C ATOM 1050 CG ARG A 51 9.947 12.977 -30.031 1.00 0.00 C ATOM 1051 CD ARG A 51 9.090 13.620 -31.123 1.00 0.00 C ATOM 1052 NE ARG A 51 8.741 15.013 -30.723 1.00 0.00 N ATOM 1053 CZ ARG A 51 7.597 15.258 -30.146 1.00 0.00 C ATOM 1054 NH1 ARG A 51 7.250 14.597 -29.076 1.00 0.00 N ATOM 1055 NH2 ARG A 51 6.799 16.165 -30.640 1.00 0.00 N ATOM 0 H ARG A 51 13.353 11.324 -30.835 1.00 0.00 H new ATOM 0 HA ARG A 51 11.390 11.610 -28.577 1.00 0.00 H new ATOM 0 HB2 ARG A 51 11.296 12.111 -31.483 1.00 0.00 H new ATOM 0 HB3 ARG A 51 10.018 11.029 -30.967 1.00 0.00 H new ATOM 0 HG2 ARG A 51 9.316 12.644 -29.207 1.00 0.00 H new ATOM 0 HG3 ARG A 51 10.644 13.709 -29.623 1.00 0.00 H new ATOM 0 HD2 ARG A 51 9.632 13.626 -32.069 1.00 0.00 H new ATOM 0 HD3 ARG A 51 8.183 13.037 -31.279 1.00 0.00 H new ATOM 0 HE ARG A 51 9.396 15.774 -30.900 1.00 0.00 H new ATOM 0 HH11 ARG A 51 7.873 13.888 -28.690 1.00 0.00 H new ATOM 0 HH12 ARG A 51 6.355 14.789 -28.626 1.00 0.00 H new ATOM 0 HH21 ARG A 51 7.070 16.682 -31.477 1.00 0.00 H new ATOM 0 HH22 ARG A 51 5.904 16.357 -30.189 1.00 0.00 H new ATOM 1056 N GLY A 52 10.879 9.131 -28.483 1.00 0.00 N ATOM 1057 CA GLY A 52 10.699 7.653 -28.410 1.00 0.00 C ATOM 1058 C GLY A 52 12.069 6.971 -28.274 1.00 0.00 C ATOM 1059 O GLY A 52 12.318 5.937 -28.890 1.00 0.00 O ATOM 0 H GLY A 52 10.504 9.654 -27.692 1.00 0.00 H new ATOM 0 HA2 GLY A 52 10.068 7.395 -27.560 1.00 0.00 H new ATOM 0 HA3 GLY A 52 10.190 7.294 -29.305 1.00 0.00 H new ATOM 1060 N GLN A 53 12.966 7.521 -27.481 1.00 0.00 N ATOM 1061 CA GLN A 53 14.312 6.883 -27.325 1.00 0.00 C ATOM 1062 C GLN A 53 15.095 7.567 -26.189 1.00 0.00 C ATOM 1063 O GLN A 53 14.942 8.766 -25.958 1.00 0.00 O ATOM 1064 CB GLN A 53 15.093 7.018 -28.634 1.00 0.00 C ATOM 1065 CG GLN A 53 15.197 8.495 -29.018 1.00 0.00 C ATOM 1066 CD GLN A 53 15.981 8.628 -30.329 1.00 0.00 C ATOM 1067 OE1 GLN A 53 15.522 8.176 -31.377 1.00 0.00 O ATOM 1068 NE2 GLN A 53 17.148 9.227 -30.336 1.00 0.00 N ATOM 0 H GLN A 53 12.823 8.375 -26.942 1.00 0.00 H new ATOM 0 HA GLN A 53 14.180 5.829 -27.081 1.00 0.00 H new ATOM 0 HB2 GLN A 53 16.089 6.590 -28.521 1.00 0.00 H new ATOM 0 HB3 GLN A 53 14.594 6.460 -29.426 1.00 0.00 H new ATOM 0 HG2 GLN A 53 14.201 8.923 -29.132 1.00 0.00 H new ATOM 0 HG3 GLN A 53 15.695 9.054 -28.226 1.00 0.00 H new ATOM 0 HE21 GLN A 53 17.533 9.604 -29.470 1.00 0.00 H new ATOM 0 HE22 GLN A 53 17.670 9.316 -31.208 1.00 0.00 H new ATOM 1069 N ALA A 54 15.927 6.839 -25.474 1.00 0.00 N ATOM 1070 CA ALA A 54 16.697 7.473 -24.363 1.00 0.00 C ATOM 1071 C ALA A 54 18.119 6.893 -24.309 1.00 0.00 C ATOM 1072 O ALA A 54 18.474 6.016 -25.094 1.00 0.00 O ATOM 1073 CB ALA A 54 15.987 7.204 -23.035 1.00 0.00 C ATOM 0 H ALA A 54 16.101 5.844 -25.614 1.00 0.00 H new ATOM 0 HA ALA A 54 16.757 8.547 -24.538 1.00 0.00 H new ATOM 0 HB1 ALA A 54 16.548 7.666 -22.223 1.00 0.00 H new ATOM 0 HB2 ALA A 54 14.982 7.625 -23.068 1.00 0.00 H new ATOM 0 HB3 ALA A 54 15.925 6.129 -22.867 1.00 0.00 H new ATOM 1074 N PHE A 55 18.945 7.364 -23.397 1.00 0.00 N ATOM 1075 CA PHE A 55 20.337 6.836 -23.300 1.00 0.00 C ATOM 1076 C PHE A 55 20.612 6.413 -21.849 1.00 0.00 C ATOM 1077 O PHE A 55 20.214 7.103 -20.913 1.00 0.00 O ATOM 1078 CB PHE A 55 21.331 7.929 -23.701 1.00 0.00 C ATOM 1079 CG PHE A 55 21.046 8.390 -25.111 1.00 0.00 C ATOM 1080 CD1 PHE A 55 19.889 9.129 -25.387 1.00 0.00 C ATOM 1081 CD2 PHE A 55 21.941 8.080 -26.142 1.00 0.00 C ATOM 1082 CE1 PHE A 55 19.627 9.557 -26.694 1.00 0.00 C ATOM 1083 CE2 PHE A 55 21.679 8.510 -27.448 1.00 0.00 C ATOM 1084 CZ PHE A 55 20.522 9.248 -27.724 1.00 0.00 C ATOM 0 H PHE A 55 18.710 8.090 -22.720 1.00 0.00 H new ATOM 0 HA PHE A 55 20.450 5.981 -23.966 1.00 0.00 H new ATOM 0 HB2 PHE A 55 21.257 8.770 -23.012 1.00 0.00 H new ATOM 0 HB3 PHE A 55 22.350 7.549 -23.632 1.00 0.00 H new ATOM 0 HD1 PHE A 55 19.199 9.369 -24.592 1.00 0.00 H new ATOM 0 HD2 PHE A 55 22.833 7.509 -25.930 1.00 0.00 H new ATOM 0 HE1 PHE A 55 18.734 10.126 -26.907 1.00 0.00 H new ATOM 0 HE2 PHE A 55 22.370 8.272 -28.243 1.00 0.00 H new ATOM 0 HZ PHE A 55 20.320 9.579 -28.732 1.00 0.00 H new ATOM 1085 N VAL A 56 21.282 5.301 -21.634 1.00 0.00 N ATOM 1086 CA VAL A 56 21.565 4.869 -20.233 1.00 0.00 C ATOM 1087 C VAL A 56 23.079 4.701 -20.044 1.00 0.00 C ATOM 1088 O VAL A 56 23.777 4.240 -20.946 1.00 0.00 O ATOM 1089 CB VAL A 56 20.867 3.537 -19.954 1.00 0.00 C ATOM 1090 CG1 VAL A 56 21.012 3.184 -18.472 1.00 0.00 C ATOM 1091 CG2 VAL A 56 19.382 3.651 -20.304 1.00 0.00 C ATOM 0 H VAL A 56 21.640 4.683 -22.363 1.00 0.00 H new ATOM 0 HA VAL A 56 21.193 5.625 -19.541 1.00 0.00 H new ATOM 0 HB VAL A 56 21.325 2.757 -20.562 1.00 0.00 H new ATOM 0 HG11 VAL A 56 20.514 2.235 -18.274 1.00 0.00 H new ATOM 0 HG12 VAL A 56 22.069 3.099 -18.220 1.00 0.00 H new ATOM 0 HG13 VAL A 56 20.556 3.966 -17.865 1.00 0.00 H new ATOM 0 HG21 VAL A 56 18.887 2.701 -20.104 1.00 0.00 H new ATOM 0 HG22 VAL A 56 18.924 4.433 -19.698 1.00 0.00 H new ATOM 0 HG23 VAL A 56 19.275 3.901 -21.360 1.00 0.00 H new ATOM 1092 N ILE A 57 23.607 5.058 -18.892 1.00 0.00 N ATOM 1093 CA ILE A 57 25.072 4.906 -18.669 1.00 0.00 C ATOM 1094 C ILE A 57 25.306 4.004 -17.452 1.00 0.00 C ATOM 1095 O ILE A 57 24.509 3.999 -16.514 1.00 0.00 O ATOM 1096 CB ILE A 57 25.698 6.279 -18.414 1.00 0.00 C ATOM 1097 CG1 ILE A 57 25.374 7.211 -19.584 1.00 0.00 C ATOM 1098 CG2 ILE A 57 27.214 6.135 -18.283 1.00 0.00 C ATOM 1099 CD1 ILE A 57 25.470 8.666 -19.118 1.00 0.00 C ATOM 0 H ILE A 57 23.085 5.445 -18.106 1.00 0.00 H new ATOM 0 HA ILE A 57 25.531 4.459 -19.551 1.00 0.00 H new ATOM 0 HB ILE A 57 25.293 6.696 -17.492 1.00 0.00 H new ATOM 0 HG12 ILE A 57 26.067 7.035 -20.406 1.00 0.00 H new ATOM 0 HG13 ILE A 57 24.373 7.004 -19.961 1.00 0.00 H new ATOM 0 HG21 ILE A 57 27.658 7.114 -18.101 1.00 0.00 H new ATOM 0 HG22 ILE A 57 27.446 5.471 -17.450 1.00 0.00 H new ATOM 0 HG23 ILE A 57 27.621 5.717 -19.204 1.00 0.00 H new ATOM 0 HD11 ILE A 57 25.239 9.331 -19.951 1.00 0.00 H new ATOM 0 HD12 ILE A 57 24.759 8.837 -18.310 1.00 0.00 H new ATOM 0 HD13 ILE A 57 26.480 8.868 -18.761 1.00 0.00 H new ATOM 1100 N PHE A 58 26.375 3.239 -17.437 1.00 0.00 N ATOM 1101 CA PHE A 58 26.632 2.350 -16.269 1.00 0.00 C ATOM 1102 C PHE A 58 28.012 2.664 -15.676 1.00 0.00 C ATOM 1103 O PHE A 58 28.908 3.130 -16.377 1.00 0.00 O ATOM 1104 CB PHE A 58 26.587 0.889 -16.716 1.00 0.00 C ATOM 1105 CG PHE A 58 25.212 0.574 -17.252 1.00 0.00 C ATOM 1106 CD1 PHE A 58 24.207 0.118 -16.389 1.00 0.00 C ATOM 1107 CD2 PHE A 58 24.942 0.742 -18.613 1.00 0.00 C ATOM 1108 CE1 PHE A 58 22.933 -0.172 -16.891 1.00 0.00 C ATOM 1109 CE2 PHE A 58 23.670 0.451 -19.116 1.00 0.00 C ATOM 1110 CZ PHE A 58 22.664 -0.006 -18.256 1.00 0.00 C ATOM 0 H PHE A 58 27.073 3.196 -18.180 1.00 0.00 H new ATOM 0 HA PHE A 58 25.866 2.520 -15.512 1.00 0.00 H new ATOM 0 HB2 PHE A 58 27.339 0.708 -17.484 1.00 0.00 H new ATOM 0 HB3 PHE A 58 26.822 0.233 -15.878 1.00 0.00 H new ATOM 0 HD1 PHE A 58 24.415 -0.010 -15.337 1.00 0.00 H new ATOM 0 HD2 PHE A 58 25.716 1.097 -19.277 1.00 0.00 H new ATOM 0 HE1 PHE A 58 22.158 -0.524 -16.226 1.00 0.00 H new ATOM 0 HE2 PHE A 58 23.464 0.579 -20.168 1.00 0.00 H new ATOM 0 HZ PHE A 58 21.682 -0.230 -18.644 1.00 0.00 H new ATOM 1111 N LYS A 59 28.209 2.420 -14.396 1.00 0.00 N ATOM 1112 CA LYS A 59 29.546 2.712 -13.770 1.00 0.00 C ATOM 1113 C LYS A 59 30.669 2.087 -14.617 1.00 0.00 C ATOM 1114 O LYS A 59 31.726 2.688 -14.800 1.00 0.00 O ATOM 1115 CB LYS A 59 29.603 2.127 -12.346 1.00 0.00 C ATOM 1116 CG LYS A 59 29.551 3.258 -11.315 1.00 0.00 C ATOM 1117 CD LYS A 59 29.984 2.725 -9.948 1.00 0.00 C ATOM 1118 CE LYS A 59 31.462 2.337 -9.996 1.00 0.00 C ATOM 1119 NZ LYS A 59 32.002 2.270 -8.608 1.00 0.00 N ATOM 0 H LYS A 59 27.508 2.035 -13.763 1.00 0.00 H new ATOM 0 HA LYS A 59 29.680 3.793 -13.724 1.00 0.00 H new ATOM 0 HB2 LYS A 59 28.768 1.443 -12.191 1.00 0.00 H new ATOM 0 HB3 LYS A 59 30.518 1.548 -12.218 1.00 0.00 H new ATOM 0 HG2 LYS A 59 30.205 4.074 -11.622 1.00 0.00 H new ATOM 0 HG3 LYS A 59 28.541 3.664 -11.255 1.00 0.00 H new ATOM 0 HD2 LYS A 59 29.821 3.483 -9.182 1.00 0.00 H new ATOM 0 HD3 LYS A 59 29.379 1.861 -9.675 1.00 0.00 H new ATOM 0 HE2 LYS A 59 31.580 1.373 -10.491 1.00 0.00 H new ATOM 0 HE3 LYS A 59 32.022 3.067 -10.581 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 33.007 2.006 -8.639 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 31.902 3.199 -8.151 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 31.474 1.558 -8.064 1.00 0.00 H new ATOM 1120 N GLU A 60 30.465 0.897 -15.141 1.00 0.00 N ATOM 1121 CA GLU A 60 31.524 0.259 -15.968 1.00 0.00 C ATOM 1122 C GLU A 60 30.943 -0.125 -17.337 1.00 0.00 C ATOM 1123 O GLU A 60 29.747 0.031 -17.578 1.00 0.00 O ATOM 1124 CB GLU A 60 32.038 -0.997 -15.261 1.00 0.00 C ATOM 1125 CG GLU A 60 32.788 -0.596 -13.990 1.00 0.00 C ATOM 1126 CD GLU A 60 33.663 -1.761 -13.523 1.00 0.00 C ATOM 1127 OE1 GLU A 60 34.506 -2.189 -14.293 1.00 0.00 O ATOM 1128 OE2 GLU A 60 33.473 -2.206 -12.403 1.00 0.00 O ATOM 0 H GLU A 60 29.612 0.349 -15.028 1.00 0.00 H new ATOM 0 HA GLU A 60 32.347 0.960 -16.106 1.00 0.00 H new ATOM 0 HB2 GLU A 60 31.205 -1.654 -15.012 1.00 0.00 H new ATOM 0 HB3 GLU A 60 32.698 -1.556 -15.924 1.00 0.00 H new ATOM 0 HG2 GLU A 60 33.405 0.282 -14.181 1.00 0.00 H new ATOM 0 HG3 GLU A 60 32.079 -0.323 -13.208 1.00 0.00 H new ATOM 1129 N VAL A 61 31.758 -0.628 -18.239 1.00 0.00 N ATOM 1130 CA VAL A 61 31.228 -1.017 -19.584 1.00 0.00 C ATOM 1131 C VAL A 61 30.581 -2.409 -19.506 1.00 0.00 C ATOM 1132 O VAL A 61 29.567 -2.664 -20.150 1.00 0.00 O ATOM 1133 CB VAL A 61 32.364 -1.041 -20.613 1.00 0.00 C ATOM 1134 CG1 VAL A 61 31.791 -1.327 -22.003 1.00 0.00 C ATOM 1135 CG2 VAL A 61 33.070 0.318 -20.623 1.00 0.00 C ATOM 0 H VAL A 61 32.757 -0.784 -18.102 1.00 0.00 H new ATOM 0 HA VAL A 61 30.482 -0.285 -19.892 1.00 0.00 H new ATOM 0 HB VAL A 61 33.077 -1.821 -20.348 1.00 0.00 H new ATOM 0 HG11 VAL A 61 32.600 -1.344 -22.734 1.00 0.00 H new ATOM 0 HG12 VAL A 61 31.287 -2.294 -21.997 1.00 0.00 H new ATOM 0 HG13 VAL A 61 31.077 -0.548 -22.270 1.00 0.00 H new ATOM 0 HG21 VAL A 61 33.878 0.303 -21.354 1.00 0.00 H new ATOM 0 HG22 VAL A 61 32.355 1.097 -20.888 1.00 0.00 H new ATOM 0 HG23 VAL A 61 33.480 0.523 -19.634 1.00 0.00 H new ATOM 1136 N SER A 62 31.142 -3.317 -18.738 1.00 0.00 N ATOM 1137 CA SER A 62 30.538 -4.687 -18.641 1.00 0.00 C ATOM 1138 C SER A 62 29.088 -4.605 -18.126 1.00 0.00 C ATOM 1139 O SER A 62 28.262 -5.446 -18.468 1.00 0.00 O ATOM 1140 CB SER A 62 31.357 -5.565 -17.685 1.00 0.00 C ATOM 1141 OG SER A 62 31.472 -4.910 -16.428 1.00 0.00 O ATOM 0 H SER A 62 31.983 -3.171 -18.180 1.00 0.00 H new ATOM 0 HA SER A 62 30.543 -5.127 -19.638 1.00 0.00 H new ATOM 0 HB2 SER A 62 30.875 -6.535 -17.560 1.00 0.00 H new ATOM 0 HB3 SER A 62 32.346 -5.752 -18.102 1.00 0.00 H new ATOM 0 HG SER A 62 31.993 -5.469 -15.814 1.00 0.00 H new ATOM 1142 N SER A 63 28.753 -3.628 -17.303 1.00 0.00 N ATOM 1143 CA SER A 63 27.343 -3.543 -16.785 1.00 0.00 C ATOM 1144 C SER A 63 26.372 -3.195 -17.929 1.00 0.00 C ATOM 1145 O SER A 63 25.244 -3.691 -17.965 1.00 0.00 O ATOM 1146 CB SER A 63 27.243 -2.468 -15.696 1.00 0.00 C ATOM 1147 OG SER A 63 27.710 -3.001 -14.465 1.00 0.00 O ATOM 0 H SER A 63 29.385 -2.898 -16.973 1.00 0.00 H new ATOM 0 HA SER A 63 27.074 -4.512 -16.365 1.00 0.00 H new ATOM 0 HB2 SER A 63 27.834 -1.596 -15.975 1.00 0.00 H new ATOM 0 HB3 SER A 63 26.211 -2.134 -15.592 1.00 0.00 H new ATOM 0 HG SER A 63 27.649 -2.315 -13.767 1.00 0.00 H new ATOM 1148 N ALA A 64 26.775 -2.365 -18.869 1.00 0.00 N ATOM 1149 CA ALA A 64 25.853 -2.017 -19.995 1.00 0.00 C ATOM 1150 C ALA A 64 25.734 -3.211 -20.952 1.00 0.00 C ATOM 1151 O ALA A 64 24.710 -3.379 -21.611 1.00 0.00 O ATOM 1152 CB ALA A 64 26.380 -0.794 -20.761 1.00 0.00 C ATOM 0 H ALA A 64 27.692 -1.920 -18.902 1.00 0.00 H new ATOM 0 HA ALA A 64 24.872 -1.778 -19.584 1.00 0.00 H new ATOM 0 HB1 ALA A 64 25.698 -0.554 -21.577 1.00 0.00 H new ATOM 0 HB2 ALA A 64 26.450 0.057 -20.084 1.00 0.00 H new ATOM 0 HB3 ALA A 64 27.367 -1.016 -21.167 1.00 0.00 H new ATOM 1153 N THR A 65 26.749 -4.047 -21.049 1.00 0.00 N ATOM 1154 CA THR A 65 26.650 -5.215 -21.972 1.00 0.00 C ATOM 1155 C THR A 65 25.645 -6.236 -21.411 1.00 0.00 C ATOM 1156 O THR A 65 24.902 -6.865 -22.164 1.00 0.00 O ATOM 1157 CB THR A 65 28.022 -5.886 -22.140 1.00 0.00 C ATOM 1158 OG1 THR A 65 28.966 -4.922 -22.586 1.00 0.00 O ATOM 1159 CG2 THR A 65 27.922 -7.016 -23.166 1.00 0.00 C ATOM 0 H THR A 65 27.626 -3.967 -20.534 1.00 0.00 H new ATOM 0 HA THR A 65 26.309 -4.862 -22.945 1.00 0.00 H new ATOM 0 HB THR A 65 28.343 -6.297 -21.183 1.00 0.00 H new ATOM 0 HG1 THR A 65 28.689 -4.572 -23.458 1.00 0.00 H new ATOM 0 HG21 THR A 65 28.897 -7.489 -23.282 1.00 0.00 H new ATOM 0 HG22 THR A 65 27.198 -7.756 -22.823 1.00 0.00 H new ATOM 0 HG23 THR A 65 27.599 -6.610 -24.125 1.00 0.00 H new ATOM 1160 N ASN A 66 25.598 -6.421 -20.106 1.00 0.00 N ATOM 1161 CA ASN A 66 24.630 -7.409 -19.527 1.00 0.00 C ATOM 1162 C ASN A 66 23.198 -6.875 -19.681 1.00 0.00 C ATOM 1163 O ASN A 66 22.278 -7.635 -19.970 1.00 0.00 O ATOM 1164 CB ASN A 66 24.926 -7.640 -18.039 1.00 0.00 C ATOM 1165 CG ASN A 66 26.379 -8.101 -17.872 1.00 0.00 C ATOM 1166 OD1 ASN A 66 26.812 -9.042 -18.534 1.00 0.00 O ATOM 1167 ND2 ASN A 66 27.167 -7.489 -17.020 1.00 0.00 N ATOM 0 H ASN A 66 26.183 -5.935 -19.426 1.00 0.00 H new ATOM 0 HA ASN A 66 24.734 -8.354 -20.060 1.00 0.00 H new ATOM 0 HB2 ASN A 66 24.758 -6.721 -17.477 1.00 0.00 H new ATOM 0 HB3 ASN A 66 24.247 -8.390 -17.634 1.00 0.00 H new ATOM 0 HD21 ASN A 66 28.134 -7.795 -16.909 1.00 0.00 H new ATOM 0 HD22 ASN A 66 26.813 -6.708 -16.468 1.00 0.00 H new ATOM 1168 N ALA A 67 22.982 -5.589 -19.493 1.00 0.00 N ATOM 1169 CA ALA A 67 21.589 -5.043 -19.640 1.00 0.00 C ATOM 1170 C ALA A 67 21.103 -5.220 -21.092 1.00 0.00 C ATOM 1171 O ALA A 67 19.924 -5.474 -21.330 1.00 0.00 O ATOM 1172 CB ALA A 67 21.562 -3.551 -19.279 1.00 0.00 C ATOM 0 H ALA A 67 23.697 -4.904 -19.248 1.00 0.00 H new ATOM 0 HA ALA A 67 20.931 -5.590 -18.965 1.00 0.00 H new ATOM 0 HB1 ALA A 67 20.547 -3.168 -19.390 1.00 0.00 H new ATOM 0 HB2 ALA A 67 21.889 -3.420 -18.247 1.00 0.00 H new ATOM 0 HB3 ALA A 67 22.231 -3.004 -19.943 1.00 0.00 H new ATOM 1173 N LEU A 68 21.975 -5.084 -22.069 1.00 0.00 N ATOM 1174 CA LEU A 68 21.530 -5.240 -23.495 1.00 0.00 C ATOM 1175 C LEU A 68 21.136 -6.701 -23.766 1.00 0.00 C ATOM 1176 O LEU A 68 20.148 -6.968 -24.450 1.00 0.00 O ATOM 1177 CB LEU A 68 22.668 -4.843 -24.450 1.00 0.00 C ATOM 1178 CG LEU A 68 22.087 -4.389 -25.801 1.00 0.00 C ATOM 1179 CD1 LEU A 68 22.502 -2.942 -26.084 1.00 0.00 C ATOM 1180 CD2 LEU A 68 22.616 -5.291 -26.923 1.00 0.00 C ATOM 0 H LEU A 68 22.965 -4.874 -21.942 1.00 0.00 H new ATOM 0 HA LEU A 68 20.670 -4.591 -23.663 1.00 0.00 H new ATOM 0 HB2 LEU A 68 23.259 -4.039 -24.010 1.00 0.00 H new ATOM 0 HB3 LEU A 68 23.340 -5.688 -24.599 1.00 0.00 H new ATOM 0 HG LEU A 68 21.000 -4.456 -25.759 1.00 0.00 H new ATOM 0 HD11 LEU A 68 22.088 -2.625 -27.041 1.00 0.00 H new ATOM 0 HD12 LEU A 68 22.124 -2.294 -25.293 1.00 0.00 H new ATOM 0 HD13 LEU A 68 23.589 -2.876 -26.119 1.00 0.00 H new ATOM 0 HD21 LEU A 68 22.202 -4.966 -27.877 1.00 0.00 H new ATOM 0 HD22 LEU A 68 23.704 -5.227 -26.959 1.00 0.00 H new ATOM 0 HD23 LEU A 68 22.319 -6.322 -26.731 1.00 0.00 H new ATOM 1181 N ARG A 69 21.884 -7.655 -23.257 1.00 0.00 N ATOM 1182 CA ARG A 69 21.532 -9.094 -23.509 1.00 0.00 C ATOM 1183 C ARG A 69 20.259 -9.503 -22.738 1.00 0.00 C ATOM 1184 O ARG A 69 19.600 -10.474 -23.107 1.00 0.00 O ATOM 1185 CB ARG A 69 22.692 -10.003 -23.080 1.00 0.00 C ATOM 1186 CG ARG A 69 23.835 -9.880 -24.088 1.00 0.00 C ATOM 1187 CD ARG A 69 25.173 -10.051 -23.367 1.00 0.00 C ATOM 1188 NE ARG A 69 25.385 -11.490 -23.047 1.00 0.00 N ATOM 1189 CZ ARG A 69 26.156 -12.221 -23.806 1.00 0.00 C ATOM 1190 NH1 ARG A 69 25.766 -12.554 -25.005 1.00 0.00 N ATOM 1191 NH2 ARG A 69 27.318 -12.618 -23.363 1.00 0.00 N ATOM 0 H ARG A 69 22.714 -7.503 -22.684 1.00 0.00 H new ATOM 0 HA ARG A 69 21.346 -9.207 -24.577 1.00 0.00 H new ATOM 0 HB2 ARG A 69 23.039 -9.723 -22.085 1.00 0.00 H new ATOM 0 HB3 ARG A 69 22.355 -11.038 -23.021 1.00 0.00 H new ATOM 0 HG2 ARG A 69 23.730 -10.636 -24.866 1.00 0.00 H new ATOM 0 HG3 ARG A 69 23.797 -8.908 -24.580 1.00 0.00 H new ATOM 0 HD2 ARG A 69 25.985 -9.683 -23.994 1.00 0.00 H new ATOM 0 HD3 ARG A 69 25.183 -9.459 -22.452 1.00 0.00 H new ATOM 0 HE ARG A 69 24.928 -11.905 -22.235 1.00 0.00 H new ATOM 0 HH11 ARG A 69 24.858 -12.243 -25.351 1.00 0.00 H new ATOM 0 HH12 ARG A 69 26.369 -13.125 -25.597 1.00 0.00 H new ATOM 0 HH21 ARG A 69 27.623 -12.357 -22.425 1.00 0.00 H new ATOM 0 HH22 ARG A 69 27.921 -13.189 -23.955 1.00 0.00 H new ATOM 1192 N SER A 70 19.893 -8.808 -21.678 1.00 0.00 N ATOM 1193 CA SER A 70 18.662 -9.206 -20.921 1.00 0.00 C ATOM 1194 C SER A 70 17.408 -8.728 -21.668 1.00 0.00 C ATOM 1195 O SER A 70 16.397 -9.428 -21.704 1.00 0.00 O ATOM 1196 CB SER A 70 18.682 -8.589 -19.517 1.00 0.00 C ATOM 1197 OG SER A 70 18.067 -7.308 -19.560 1.00 0.00 O ATOM 0 H SER A 70 20.388 -7.995 -21.312 1.00 0.00 H new ATOM 0 HA SER A 70 18.642 -10.293 -20.837 1.00 0.00 H new ATOM 0 HB2 SER A 70 18.155 -9.235 -18.815 1.00 0.00 H new ATOM 0 HB3 SER A 70 19.708 -8.501 -19.160 1.00 0.00 H new ATOM 0 HG SER A 70 18.613 -6.701 -20.102 1.00 0.00 H new ATOM 1198 N MET A 71 17.440 -7.555 -22.265 1.00 0.00 N ATOM 1199 CA MET A 71 16.235 -7.062 -22.994 1.00 0.00 C ATOM 1200 C MET A 71 16.507 -7.060 -24.507 1.00 0.00 C ATOM 1201 O MET A 71 16.078 -6.152 -25.219 1.00 0.00 O ATOM 1202 CB MET A 71 15.906 -5.642 -22.531 1.00 0.00 C ATOM 1203 CG MET A 71 15.628 -5.645 -21.026 1.00 0.00 C ATOM 1204 SD MET A 71 14.141 -6.619 -20.687 1.00 0.00 S ATOM 1205 CE MET A 71 12.959 -5.248 -20.720 1.00 0.00 C ATOM 0 H MET A 71 18.244 -6.927 -22.276 1.00 0.00 H new ATOM 0 HA MET A 71 15.391 -7.719 -22.782 1.00 0.00 H new ATOM 0 HB2 MET A 71 16.737 -4.973 -22.756 1.00 0.00 H new ATOM 0 HB3 MET A 71 15.038 -5.265 -23.071 1.00 0.00 H new ATOM 0 HG2 MET A 71 16.479 -6.063 -20.489 1.00 0.00 H new ATOM 0 HG3 MET A 71 15.496 -4.624 -20.668 1.00 0.00 H new ATOM 0 HE1 MET A 71 11.955 -5.628 -20.530 1.00 0.00 H new ATOM 0 HE2 MET A 71 13.223 -4.521 -19.952 1.00 0.00 H new ATOM 0 HE3 MET A 71 12.986 -4.768 -21.698 1.00 0.00 H new ATOM 1206 N GLN A 72 17.201 -8.053 -25.022 1.00 0.00 N ATOM 1207 CA GLN A 72 17.472 -8.080 -26.496 1.00 0.00 C ATOM 1208 C GLN A 72 16.137 -8.177 -27.245 1.00 0.00 C ATOM 1209 O GLN A 72 15.528 -9.245 -27.306 1.00 0.00 O ATOM 1210 CB GLN A 72 18.346 -9.289 -26.861 1.00 0.00 C ATOM 1211 CG GLN A 72 19.808 -8.852 -26.990 1.00 0.00 C ATOM 1212 CD GLN A 72 20.146 -8.628 -28.469 1.00 0.00 C ATOM 1213 OE1 GLN A 72 20.381 -9.584 -29.204 1.00 0.00 O ATOM 1214 NE2 GLN A 72 20.187 -7.411 -28.954 1.00 0.00 N ATOM 0 H GLN A 72 17.586 -8.835 -24.492 1.00 0.00 H new ATOM 0 HA GLN A 72 18.000 -7.169 -26.778 1.00 0.00 H new ATOM 0 HB2 GLN A 72 18.254 -10.060 -26.096 1.00 0.00 H new ATOM 0 HB3 GLN A 72 18.004 -9.727 -27.799 1.00 0.00 H new ATOM 0 HG2 GLN A 72 19.976 -7.935 -26.425 1.00 0.00 H new ATOM 0 HG3 GLN A 72 20.465 -9.612 -26.567 1.00 0.00 H new ATOM 0 HE21 GLN A 72 19.993 -6.614 -28.348 1.00 0.00 H new ATOM 0 HE22 GLN A 72 20.413 -7.261 -29.937 1.00 0.00 H new ATOM 1215 N GLY A 73 15.658 -7.090 -27.812 1.00 0.00 N ATOM 1216 CA GLY A 73 14.357 -7.146 -28.540 1.00 0.00 C ATOM 1217 C GLY A 73 13.252 -7.569 -27.563 1.00 0.00 C ATOM 1218 O GLY A 73 12.661 -8.638 -27.705 1.00 0.00 O ATOM 0 H GLY A 73 16.112 -6.177 -27.799 1.00 0.00 H new ATOM 0 HA2 GLY A 73 14.125 -6.172 -28.971 1.00 0.00 H new ATOM 0 HA3 GLY A 73 14.419 -7.854 -29.367 1.00 0.00 H new ATOM 1219 N PHE A 74 12.962 -6.760 -26.566 1.00 0.00 N ATOM 1220 CA PHE A 74 11.900 -7.135 -25.588 1.00 0.00 C ATOM 1221 C PHE A 74 10.897 -5.974 -25.450 1.00 0.00 C ATOM 1222 O PHE A 74 11.186 -4.861 -25.884 1.00 0.00 O ATOM 1223 CB PHE A 74 12.546 -7.423 -24.225 1.00 0.00 C ATOM 1224 CG PHE A 74 12.370 -8.882 -23.867 1.00 0.00 C ATOM 1225 CD1 PHE A 74 12.720 -9.878 -24.786 1.00 0.00 C ATOM 1226 CD2 PHE A 74 11.859 -9.236 -22.612 1.00 0.00 C ATOM 1227 CE1 PHE A 74 12.557 -11.228 -24.451 1.00 0.00 C ATOM 1228 CE2 PHE A 74 11.697 -10.585 -22.277 1.00 0.00 C ATOM 1229 CZ PHE A 74 12.045 -11.582 -23.197 1.00 0.00 C ATOM 0 H PHE A 74 13.415 -5.863 -26.393 1.00 0.00 H new ATOM 0 HA PHE A 74 11.376 -8.024 -25.938 1.00 0.00 H new ATOM 0 HB2 PHE A 74 13.606 -7.173 -24.256 1.00 0.00 H new ATOM 0 HB3 PHE A 74 12.093 -6.795 -23.458 1.00 0.00 H new ATOM 0 HD1 PHE A 74 13.116 -9.605 -25.753 1.00 0.00 H new ATOM 0 HD2 PHE A 74 11.590 -8.468 -21.902 1.00 0.00 H new ATOM 0 HE1 PHE A 74 12.826 -11.996 -25.160 1.00 0.00 H new ATOM 0 HE2 PHE A 74 11.304 -10.857 -21.309 1.00 0.00 H new ATOM 0 HZ PHE A 74 11.918 -12.623 -22.939 1.00 0.00 H new ATOM 1230 N PRO A 75 9.747 -6.241 -24.855 1.00 0.00 N ATOM 1231 CA PRO A 75 8.712 -5.209 -24.665 1.00 0.00 C ATOM 1232 C PRO A 75 9.079 -4.296 -23.484 1.00 0.00 C ATOM 1233 O PRO A 75 9.566 -4.764 -22.455 1.00 0.00 O ATOM 1234 CB PRO A 75 7.445 -6.014 -24.360 1.00 0.00 C ATOM 1235 CG PRO A 75 7.917 -7.390 -23.834 1.00 0.00 C ATOM 1236 CD PRO A 75 9.366 -7.573 -24.319 1.00 0.00 C ATOM 0 HA PRO A 75 8.595 -4.557 -25.530 1.00 0.00 H new ATOM 0 HB2 PRO A 75 6.831 -5.505 -23.618 1.00 0.00 H new ATOM 0 HB3 PRO A 75 6.833 -6.129 -25.255 1.00 0.00 H new ATOM 0 HG2 PRO A 75 7.865 -7.427 -22.746 1.00 0.00 H new ATOM 0 HG3 PRO A 75 7.278 -8.189 -24.211 1.00 0.00 H new ATOM 0 HD2 PRO A 75 10.023 -7.876 -23.503 1.00 0.00 H new ATOM 0 HD3 PRO A 75 9.434 -8.344 -25.086 1.00 0.00 H new ATOM 1237 N PHE A 76 8.857 -3.004 -23.604 1.00 0.00 N ATOM 1238 CA PHE A 76 9.199 -2.084 -22.481 1.00 0.00 C ATOM 1239 C PHE A 76 8.034 -1.114 -22.242 1.00 0.00 C ATOM 1240 O PHE A 76 7.457 -1.080 -21.155 1.00 0.00 O ATOM 1241 CB PHE A 76 10.461 -1.291 -22.835 1.00 0.00 C ATOM 1242 CG PHE A 76 10.924 -0.508 -21.627 1.00 0.00 C ATOM 1243 CD1 PHE A 76 11.111 -1.159 -20.400 1.00 0.00 C ATOM 1244 CD2 PHE A 76 11.169 0.867 -21.733 1.00 0.00 C ATOM 1245 CE1 PHE A 76 11.540 -0.434 -19.283 1.00 0.00 C ATOM 1246 CE2 PHE A 76 11.598 1.591 -20.615 1.00 0.00 C ATOM 1247 CZ PHE A 76 11.784 0.940 -19.390 1.00 0.00 C ATOM 0 H PHE A 76 8.456 -2.555 -24.428 1.00 0.00 H new ATOM 0 HA PHE A 76 9.379 -2.666 -21.577 1.00 0.00 H new ATOM 0 HB2 PHE A 76 11.248 -1.969 -23.165 1.00 0.00 H new ATOM 0 HB3 PHE A 76 10.256 -0.613 -23.664 1.00 0.00 H new ATOM 0 HD1 PHE A 76 10.924 -2.219 -20.317 1.00 0.00 H new ATOM 0 HD2 PHE A 76 11.027 1.369 -22.679 1.00 0.00 H new ATOM 0 HE1 PHE A 76 11.683 -0.935 -18.337 1.00 0.00 H new ATOM 0 HE2 PHE A 76 11.785 2.651 -20.697 1.00 0.00 H new ATOM 0 HZ PHE A 76 12.116 1.498 -18.527 1.00 0.00 H new ATOM 1248 N TYR A 77 7.671 -0.319 -23.227 1.00 0.00 N ATOM 1249 CA TYR A 77 6.549 0.638 -23.034 1.00 0.00 C ATOM 1250 C TYR A 77 5.362 0.222 -23.918 1.00 0.00 C ATOM 1251 O TYR A 77 4.997 0.928 -24.857 1.00 0.00 O ATOM 1252 CB TYR A 77 7.012 2.047 -23.417 1.00 0.00 C ATOM 1253 CG TYR A 77 7.504 2.779 -22.187 1.00 0.00 C ATOM 1254 CD1 TYR A 77 8.387 2.153 -21.295 1.00 0.00 C ATOM 1255 CD2 TYR A 77 7.076 4.088 -21.940 1.00 0.00 C ATOM 1256 CE1 TYR A 77 8.839 2.838 -20.160 1.00 0.00 C ATOM 1257 CE2 TYR A 77 7.527 4.772 -20.805 1.00 0.00 C ATOM 1258 CZ TYR A 77 8.409 4.147 -19.915 1.00 0.00 C ATOM 1259 OH TYR A 77 8.855 4.821 -18.796 1.00 0.00 O ATOM 0 H TYR A 77 8.106 -0.298 -24.149 1.00 0.00 H new ATOM 0 HA TYR A 77 6.238 0.632 -21.989 1.00 0.00 H new ATOM 0 HB2 TYR A 77 7.808 1.989 -24.159 1.00 0.00 H new ATOM 0 HB3 TYR A 77 6.190 2.598 -23.874 1.00 0.00 H new ATOM 0 HD1 TYR A 77 8.718 1.143 -21.483 1.00 0.00 H new ATOM 0 HD2 TYR A 77 6.396 4.572 -22.626 1.00 0.00 H new ATOM 0 HE1 TYR A 77 9.519 2.356 -19.474 1.00 0.00 H new ATOM 0 HE2 TYR A 77 7.195 5.782 -20.616 1.00 0.00 H new ATOM 0 HH TYR A 77 8.117 5.337 -18.409 1.00 0.00 H new ATOM 1260 N ASP A 78 4.745 -0.907 -23.638 1.00 0.00 N ATOM 1261 CA ASP A 78 3.586 -1.350 -24.465 1.00 0.00 C ATOM 1262 C ASP A 78 4.022 -1.505 -25.930 1.00 0.00 C ATOM 1263 O ASP A 78 3.300 -1.110 -26.844 1.00 0.00 O ATOM 1264 CB ASP A 78 2.467 -0.309 -24.374 1.00 0.00 C ATOM 1265 CG ASP A 78 1.514 -0.682 -23.238 1.00 0.00 C ATOM 1266 OD1 ASP A 78 0.837 -1.688 -23.365 1.00 0.00 O ATOM 1267 OD2 ASP A 78 1.477 0.047 -22.260 1.00 0.00 O ATOM 0 H ASP A 78 4.998 -1.534 -22.874 1.00 0.00 H new ATOM 0 HA ASP A 78 3.225 -2.309 -24.093 1.00 0.00 H new ATOM 0 HB2 ASP A 78 2.890 0.680 -24.198 1.00 0.00 H new ATOM 0 HB3 ASP A 78 1.924 -0.260 -25.318 1.00 0.00 H new ATOM 1268 N LYS A 79 5.183 -2.074 -26.180 1.00 0.00 N ATOM 1269 CA LYS A 79 5.635 -2.244 -27.599 1.00 0.00 C ATOM 1270 C LYS A 79 7.009 -2.945 -27.642 1.00 0.00 C ATOM 1271 O LYS A 79 7.754 -2.888 -26.667 1.00 0.00 O ATOM 1272 CB LYS A 79 5.744 -0.865 -28.266 1.00 0.00 C ATOM 1273 CG LYS A 79 4.636 -0.701 -29.312 1.00 0.00 C ATOM 1274 CD LYS A 79 4.255 0.776 -29.426 1.00 0.00 C ATOM 1275 CE LYS A 79 5.194 1.469 -30.415 1.00 0.00 C ATOM 1276 NZ LYS A 79 6.363 2.027 -29.678 1.00 0.00 N ATOM 0 H LYS A 79 5.828 -2.423 -25.471 1.00 0.00 H new ATOM 0 HA LYS A 79 4.909 -2.857 -28.132 1.00 0.00 H new ATOM 0 HB2 LYS A 79 5.664 -0.080 -27.514 1.00 0.00 H new ATOM 0 HB3 LYS A 79 6.720 -0.756 -28.738 1.00 0.00 H new ATOM 0 HG2 LYS A 79 4.975 -1.075 -30.278 1.00 0.00 H new ATOM 0 HG3 LYS A 79 3.764 -1.291 -29.029 1.00 0.00 H new ATOM 0 HD2 LYS A 79 3.222 0.872 -29.761 1.00 0.00 H new ATOM 0 HD3 LYS A 79 4.319 1.256 -28.449 1.00 0.00 H new ATOM 0 HE2 LYS A 79 5.531 0.760 -31.171 1.00 0.00 H new ATOM 0 HE3 LYS A 79 4.666 2.266 -30.938 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 6.480 3.031 -29.922 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 6.204 1.936 -28.654 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 7.222 1.504 -29.943 1.00 0.00 H new ATOM 1277 N PRO A 80 7.324 -3.584 -28.756 1.00 0.00 N ATOM 1278 CA PRO A 80 8.610 -4.288 -28.912 1.00 0.00 C ATOM 1279 C PRO A 80 9.735 -3.279 -29.187 1.00 0.00 C ATOM 1280 O PRO A 80 9.514 -2.255 -29.832 1.00 0.00 O ATOM 1281 CB PRO A 80 8.384 -5.200 -30.122 1.00 0.00 C ATOM 1282 CG PRO A 80 7.219 -4.579 -30.926 1.00 0.00 C ATOM 1283 CD PRO A 80 6.448 -3.669 -29.952 1.00 0.00 C ATOM 0 HA PRO A 80 8.906 -4.844 -28.022 1.00 0.00 H new ATOM 0 HB2 PRO A 80 9.285 -5.266 -30.732 1.00 0.00 H new ATOM 0 HB3 PRO A 80 8.139 -6.213 -29.804 1.00 0.00 H new ATOM 0 HG2 PRO A 80 7.595 -4.008 -31.775 1.00 0.00 H new ATOM 0 HG3 PRO A 80 6.568 -5.356 -31.328 1.00 0.00 H new ATOM 0 HD2 PRO A 80 6.269 -2.685 -30.385 1.00 0.00 H new ATOM 0 HD3 PRO A 80 5.474 -4.089 -29.702 1.00 0.00 H new ATOM 1284 N MET A 81 10.935 -3.534 -28.709 1.00 0.00 N ATOM 1285 CA MET A 81 12.047 -2.568 -28.954 1.00 0.00 C ATOM 1286 C MET A 81 13.404 -3.287 -28.885 1.00 0.00 C ATOM 1287 O MET A 81 13.631 -4.130 -28.018 1.00 0.00 O ATOM 1288 CB MET A 81 12.004 -1.460 -27.894 1.00 0.00 C ATOM 1289 CG MET A 81 11.940 -2.082 -26.496 1.00 0.00 C ATOM 1290 SD MET A 81 12.781 -0.998 -25.315 1.00 0.00 S ATOM 1291 CE MET A 81 13.634 -2.294 -24.383 1.00 0.00 C ATOM 0 H MET A 81 11.185 -4.361 -28.167 1.00 0.00 H new ATOM 0 HA MET A 81 11.926 -2.135 -29.947 1.00 0.00 H new ATOM 0 HB2 MET A 81 12.887 -0.827 -27.980 1.00 0.00 H new ATOM 0 HB3 MET A 81 11.136 -0.821 -28.058 1.00 0.00 H new ATOM 0 HG2 MET A 81 10.902 -2.227 -26.198 1.00 0.00 H new ATOM 0 HG3 MET A 81 12.410 -3.065 -26.502 1.00 0.00 H new ATOM 0 HE1 MET A 81 13.941 -1.903 -23.413 1.00 0.00 H new ATOM 0 HE2 MET A 81 12.962 -3.140 -24.237 1.00 0.00 H new ATOM 0 HE3 MET A 81 14.514 -2.621 -24.937 1.00 0.00 H new ATOM 1292 N ARG A 82 14.318 -2.965 -29.777 1.00 0.00 N ATOM 1293 CA ARG A 82 15.654 -3.622 -29.748 1.00 0.00 C ATOM 1294 C ARG A 82 16.668 -2.656 -29.124 1.00 0.00 C ATOM 1295 O ARG A 82 16.559 -1.441 -29.287 1.00 0.00 O ATOM 1296 CB ARG A 82 16.086 -3.966 -31.176 1.00 0.00 C ATOM 1297 CG ARG A 82 17.053 -5.152 -31.146 1.00 0.00 C ATOM 1298 CD ARG A 82 16.876 -5.989 -32.414 1.00 0.00 C ATOM 1299 NE ARG A 82 17.012 -5.113 -33.612 1.00 0.00 N ATOM 1300 CZ ARG A 82 16.201 -5.260 -34.622 1.00 0.00 C ATOM 1301 NH1 ARG A 82 14.911 -5.188 -34.439 1.00 0.00 N ATOM 1302 NH2 ARG A 82 16.679 -5.478 -35.817 1.00 0.00 N ATOM 0 H ARG A 82 14.189 -2.277 -30.519 1.00 0.00 H new ATOM 0 HA ARG A 82 15.604 -4.537 -29.158 1.00 0.00 H new ATOM 0 HB2 ARG A 82 15.214 -4.210 -31.782 1.00 0.00 H new ATOM 0 HB3 ARG A 82 16.566 -3.104 -31.640 1.00 0.00 H new ATOM 0 HG2 ARG A 82 18.080 -4.795 -31.074 1.00 0.00 H new ATOM 0 HG3 ARG A 82 16.866 -5.765 -30.264 1.00 0.00 H new ATOM 0 HD2 ARG A 82 17.622 -6.783 -32.445 1.00 0.00 H new ATOM 0 HD3 ARG A 82 15.898 -6.470 -32.411 1.00 0.00 H new ATOM 0 HE ARG A 82 17.739 -4.399 -33.642 1.00 0.00 H new ATOM 0 HH11 ARG A 82 14.537 -5.017 -33.506 1.00 0.00 H new ATOM 0 HH12 ARG A 82 14.277 -5.303 -35.229 1.00 0.00 H new ATOM 0 HH21 ARG A 82 17.687 -5.533 -35.961 1.00 0.00 H new ATOM 0 HH22 ARG A 82 16.044 -5.593 -36.607 1.00 0.00 H new ATOM 1303 N ILE A 83 17.646 -3.158 -28.403 1.00 0.00 N ATOM 1304 CA ILE A 83 18.641 -2.244 -27.772 1.00 0.00 C ATOM 1305 C ILE A 83 19.988 -2.342 -28.504 1.00 0.00 C ATOM 1306 O ILE A 83 20.439 -3.430 -28.858 1.00 0.00 O ATOM 1307 CB ILE A 83 18.828 -2.631 -26.305 1.00 0.00 C ATOM 1308 CG1 ILE A 83 17.469 -2.623 -25.603 1.00 0.00 C ATOM 1309 CG2 ILE A 83 19.759 -1.624 -25.625 1.00 0.00 C ATOM 1310 CD1 ILE A 83 17.628 -3.147 -24.177 1.00 0.00 C ATOM 0 H ILE A 83 17.793 -4.152 -28.228 1.00 0.00 H new ATOM 0 HA ILE A 83 18.275 -1.219 -27.838 1.00 0.00 H new ATOM 0 HB ILE A 83 19.266 -3.627 -26.244 1.00 0.00 H new ATOM 0 HG12 ILE A 83 17.062 -1.612 -25.587 1.00 0.00 H new ATOM 0 HG13 ILE A 83 16.760 -3.243 -26.152 1.00 0.00 H new ATOM 0 HG21 ILE A 83 19.892 -1.900 -24.579 1.00 0.00 H new ATOM 0 HG22 ILE A 83 20.727 -1.627 -26.127 1.00 0.00 H new ATOM 0 HG23 ILE A 83 19.322 -0.627 -25.684 1.00 0.00 H new ATOM 0 HD11 ILE A 83 16.659 -3.141 -23.677 1.00 0.00 H new ATOM 0 HD12 ILE A 83 18.016 -4.165 -24.205 1.00 0.00 H new ATOM 0 HD13 ILE A 83 18.322 -2.509 -23.630 1.00 0.00 H new ATOM 1311 N GLN A 84 20.645 -1.225 -28.732 1.00 0.00 N ATOM 1312 CA GLN A 84 21.963 -1.258 -29.430 1.00 0.00 C ATOM 1313 C GLN A 84 22.907 -0.269 -28.733 1.00 0.00 C ATOM 1314 O GLN A 84 22.487 0.805 -28.314 1.00 0.00 O ATOM 1315 CB GLN A 84 21.785 -0.846 -30.897 1.00 0.00 C ATOM 1316 CG GLN A 84 20.636 -1.639 -31.526 1.00 0.00 C ATOM 1317 CD GLN A 84 19.360 -0.788 -31.511 1.00 0.00 C ATOM 1318 OE1 GLN A 84 18.347 -1.196 -30.948 1.00 0.00 O ATOM 1319 NE2 GLN A 84 19.347 0.382 -32.102 1.00 0.00 N ATOM 0 H GLN A 84 20.321 -0.296 -28.463 1.00 0.00 H new ATOM 0 HA GLN A 84 22.377 -2.266 -29.393 1.00 0.00 H new ATOM 0 HB2 GLN A 84 21.579 0.222 -30.961 1.00 0.00 H new ATOM 0 HB3 GLN A 84 22.708 -1.026 -31.449 1.00 0.00 H new ATOM 0 HG2 GLN A 84 20.889 -1.917 -32.549 1.00 0.00 H new ATOM 0 HG3 GLN A 84 20.475 -2.565 -30.975 1.00 0.00 H new ATOM 0 HE21 GLN A 84 20.185 0.726 -32.571 1.00 0.00 H new ATOM 0 HE22 GLN A 84 18.499 0.949 -32.093 1.00 0.00 H new ATOM 1320 N TYR A 85 24.175 -0.600 -28.590 1.00 0.00 N ATOM 1321 CA TYR A 85 25.118 0.350 -27.903 1.00 0.00 C ATOM 1322 C TYR A 85 25.013 1.746 -28.541 1.00 0.00 C ATOM 1323 O TYR A 85 24.283 1.940 -29.513 1.00 0.00 O ATOM 1324 CB TYR A 85 26.563 -0.150 -28.021 1.00 0.00 C ATOM 1325 CG TYR A 85 26.744 -1.383 -27.168 1.00 0.00 C ATOM 1326 CD1 TYR A 85 26.375 -1.366 -25.815 1.00 0.00 C ATOM 1327 CD2 TYR A 85 27.285 -2.544 -27.730 1.00 0.00 C ATOM 1328 CE1 TYR A 85 26.548 -2.510 -25.029 1.00 0.00 C ATOM 1329 CE2 TYR A 85 27.458 -3.688 -26.944 1.00 0.00 C ATOM 1330 CZ TYR A 85 27.090 -3.672 -25.595 1.00 0.00 C ATOM 1331 OH TYR A 85 27.262 -4.802 -24.822 1.00 0.00 O ATOM 0 H TYR A 85 24.592 -1.473 -28.914 1.00 0.00 H new ATOM 0 HA TYR A 85 24.843 0.406 -26.850 1.00 0.00 H new ATOM 0 HB2 TYR A 85 26.796 -0.378 -29.061 1.00 0.00 H new ATOM 0 HB3 TYR A 85 27.255 0.629 -27.703 1.00 0.00 H new ATOM 0 HD1 TYR A 85 25.957 -0.470 -25.380 1.00 0.00 H new ATOM 0 HD2 TYR A 85 27.569 -2.557 -28.772 1.00 0.00 H new ATOM 0 HE1 TYR A 85 26.264 -2.498 -23.987 1.00 0.00 H new ATOM 0 HE2 TYR A 85 27.876 -4.584 -27.379 1.00 0.00 H new ATOM 0 HH TYR A 85 26.448 -5.347 -24.853 1.00 0.00 H new ATOM 1332 N ALA A 86 25.720 2.725 -28.019 1.00 0.00 N ATOM 1333 CA ALA A 86 25.642 4.093 -28.606 1.00 0.00 C ATOM 1334 C ALA A 86 26.793 4.289 -29.603 1.00 0.00 C ATOM 1335 O ALA A 86 27.698 3.460 -29.689 1.00 0.00 O ATOM 1336 CB ALA A 86 25.745 5.141 -27.493 1.00 0.00 C ATOM 0 H ALA A 86 26.342 2.631 -27.216 1.00 0.00 H new ATOM 0 HA ALA A 86 24.689 4.209 -29.122 1.00 0.00 H new ATOM 0 HB1 ALA A 86 25.688 6.139 -27.927 1.00 0.00 H new ATOM 0 HB2 ALA A 86 24.925 5.004 -26.787 1.00 0.00 H new ATOM 0 HB3 ALA A 86 26.695 5.026 -26.972 1.00 0.00 H new ATOM 1337 N LYS A 87 26.784 5.364 -30.364 1.00 0.00 N ATOM 1338 CA LYS A 87 27.884 5.587 -31.347 1.00 0.00 C ATOM 1339 C LYS A 87 28.992 6.427 -30.693 1.00 0.00 C ATOM 1340 O LYS A 87 30.177 6.158 -30.882 1.00 0.00 O ATOM 1341 CB LYS A 87 27.343 6.324 -32.577 1.00 0.00 C ATOM 1342 CG LYS A 87 26.171 5.539 -33.168 1.00 0.00 C ATOM 1343 CD LYS A 87 25.668 6.243 -34.430 1.00 0.00 C ATOM 1344 CE LYS A 87 24.299 5.681 -34.816 1.00 0.00 C ATOM 1345 NZ LYS A 87 23.872 6.265 -36.120 1.00 0.00 N ATOM 0 H LYS A 87 26.066 6.088 -30.343 1.00 0.00 H new ATOM 0 HA LYS A 87 28.289 4.624 -31.656 1.00 0.00 H new ATOM 0 HB2 LYS A 87 27.019 7.327 -32.300 1.00 0.00 H new ATOM 0 HB3 LYS A 87 28.131 6.438 -33.322 1.00 0.00 H new ATOM 0 HG2 LYS A 87 26.484 4.522 -33.406 1.00 0.00 H new ATOM 0 HG3 LYS A 87 25.366 5.462 -32.437 1.00 0.00 H new ATOM 0 HD2 LYS A 87 25.596 7.317 -34.256 1.00 0.00 H new ATOM 0 HD3 LYS A 87 26.376 6.099 -35.246 1.00 0.00 H new ATOM 0 HE2 LYS A 87 24.348 4.595 -34.890 1.00 0.00 H new ATOM 0 HE3 LYS A 87 23.567 5.915 -34.043 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 22.941 5.883 -36.383 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 23.810 7.300 -36.033 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 24.567 6.020 -36.854 1.00 0.00 H new ATOM 1346 N THR A 88 28.638 7.437 -29.927 1.00 0.00 N ATOM 1347 CA THR A 88 29.685 8.274 -29.275 1.00 0.00 C ATOM 1348 C THR A 88 29.913 7.779 -27.838 1.00 0.00 C ATOM 1349 O THR A 88 29.205 6.895 -27.359 1.00 0.00 O ATOM 1350 CB THR A 88 29.232 9.737 -29.244 1.00 0.00 C ATOM 1351 OG1 THR A 88 27.860 9.800 -28.882 1.00 0.00 O ATOM 1352 CG2 THR A 88 29.426 10.362 -30.627 1.00 0.00 C ATOM 0 H THR A 88 27.675 7.711 -29.730 1.00 0.00 H new ATOM 0 HA THR A 88 30.613 8.196 -29.841 1.00 0.00 H new ATOM 0 HB THR A 88 29.826 10.286 -28.513 1.00 0.00 H new ATOM 0 HG1 THR A 88 27.570 10.736 -28.860 1.00 0.00 H new ATOM 0 HG21 THR A 88 29.103 11.403 -30.604 1.00 0.00 H new ATOM 0 HG22 THR A 88 30.479 10.314 -30.903 1.00 0.00 H new ATOM 0 HG23 THR A 88 28.834 9.815 -31.360 1.00 0.00 H new ATOM 1353 N ASP A 89 30.883 8.326 -27.138 1.00 0.00 N ATOM 1354 CA ASP A 89 31.136 7.873 -25.739 1.00 0.00 C ATOM 1355 C ASP A 89 30.486 8.859 -24.758 1.00 0.00 C ATOM 1356 O ASP A 89 30.406 10.056 -25.033 1.00 0.00 O ATOM 1357 CB ASP A 89 32.644 7.818 -25.482 1.00 0.00 C ATOM 1358 CG ASP A 89 33.224 6.551 -26.112 1.00 0.00 C ATOM 1359 OD1 ASP A 89 32.701 5.483 -25.837 1.00 0.00 O ATOM 1360 OD2 ASP A 89 34.181 6.669 -26.860 1.00 0.00 O ATOM 0 H ASP A 89 31.504 9.061 -27.477 1.00 0.00 H new ATOM 0 HA ASP A 89 30.708 6.881 -25.596 1.00 0.00 H new ATOM 0 HB2 ASP A 89 33.127 8.700 -25.902 1.00 0.00 H new ATOM 0 HB3 ASP A 89 32.841 7.827 -24.410 1.00 0.00 H new ATOM 1361 N SER A 90 30.016 8.391 -23.621 1.00 0.00 N ATOM 1362 CA SER A 90 29.375 9.328 -22.643 1.00 0.00 C ATOM 1363 C SER A 90 30.382 10.419 -22.250 1.00 0.00 C ATOM 1364 O SER A 90 31.576 10.154 -22.121 1.00 0.00 O ATOM 1365 CB SER A 90 28.933 8.571 -21.384 1.00 0.00 C ATOM 1366 OG SER A 90 27.576 8.173 -21.527 1.00 0.00 O ATOM 0 H SER A 90 30.049 7.413 -23.333 1.00 0.00 H new ATOM 0 HA SER A 90 28.499 9.778 -23.110 1.00 0.00 H new ATOM 0 HB2 SER A 90 29.566 7.697 -21.230 1.00 0.00 H new ATOM 0 HB3 SER A 90 29.047 9.206 -20.505 1.00 0.00 H new ATOM 0 HG SER A 90 27.538 7.242 -21.829 1.00 0.00 H new ATOM 1367 N ASP A 91 29.932 11.641 -22.055 1.00 0.00 N ATOM 1368 CA ASP A 91 30.883 12.726 -21.672 1.00 0.00 C ATOM 1369 C ASP A 91 31.213 12.623 -20.182 1.00 0.00 C ATOM 1370 O ASP A 91 32.348 12.874 -19.778 1.00 0.00 O ATOM 1371 CB ASP A 91 30.279 14.104 -21.975 1.00 0.00 C ATOM 1372 CG ASP A 91 31.368 15.031 -22.518 1.00 0.00 C ATOM 1373 OD1 ASP A 91 32.257 15.376 -21.757 1.00 0.00 O ATOM 1374 OD2 ASP A 91 31.295 15.380 -23.684 1.00 0.00 O ATOM 0 H ASP A 91 28.957 11.926 -22.145 1.00 0.00 H new ATOM 0 HA ASP A 91 31.797 12.610 -22.255 1.00 0.00 H new ATOM 0 HB2 ASP A 91 29.473 14.007 -22.702 1.00 0.00 H new ATOM 0 HB3 ASP A 91 29.843 14.528 -21.071 1.00 0.00 H new ATOM 1375 N ILE A 92 30.267 12.244 -19.347 1.00 0.00 N ATOM 1376 CA ILE A 92 30.590 12.114 -17.896 1.00 0.00 C ATOM 1377 C ILE A 92 31.755 11.113 -17.712 1.00 0.00 C ATOM 1378 O ILE A 92 32.498 11.205 -16.738 1.00 0.00 O ATOM 1379 CB ILE A 92 29.357 11.654 -17.104 1.00 0.00 C ATOM 1380 CG1 ILE A 92 28.815 10.339 -17.683 1.00 0.00 C ATOM 1381 CG2 ILE A 92 28.275 12.734 -17.186 1.00 0.00 C ATOM 1382 CD1 ILE A 92 29.161 9.181 -16.741 1.00 0.00 C ATOM 0 H ILE A 92 29.305 12.024 -19.607 1.00 0.00 H new ATOM 0 HA ILE A 92 30.892 13.089 -17.513 1.00 0.00 H new ATOM 0 HB ILE A 92 29.639 11.491 -16.064 1.00 0.00 H new ATOM 0 HG12 ILE A 92 27.735 10.405 -17.813 1.00 0.00 H new ATOM 0 HG13 ILE A 92 29.244 10.160 -18.669 1.00 0.00 H new ATOM 0 HG21 ILE A 92 27.397 12.413 -16.625 1.00 0.00 H new ATOM 0 HG22 ILE A 92 28.656 13.663 -16.763 1.00 0.00 H new ATOM 0 HG23 ILE A 92 28.001 12.896 -18.228 1.00 0.00 H new ATOM 0 HD11 ILE A 92 28.775 8.249 -17.154 1.00 0.00 H new ATOM 0 HD12 ILE A 92 30.243 9.110 -16.634 1.00 0.00 H new ATOM 0 HD13 ILE A 92 28.711 9.359 -15.765 1.00 0.00 H new ATOM 1383 N ILE A 93 31.969 10.180 -18.637 1.00 0.00 N ATOM 1384 CA ILE A 93 33.127 9.241 -18.476 1.00 0.00 C ATOM 1385 C ILE A 93 34.408 10.054 -18.708 1.00 0.00 C ATOM 1386 O ILE A 93 35.383 9.931 -17.972 1.00 0.00 O ATOM 1387 CB ILE A 93 33.109 8.077 -19.503 1.00 0.00 C ATOM 1388 CG1 ILE A 93 31.692 7.668 -19.963 1.00 0.00 C ATOM 1389 CG2 ILE A 93 33.785 6.856 -18.879 1.00 0.00 C ATOM 1390 CD1 ILE A 93 30.703 7.638 -18.798 1.00 0.00 C ATOM 0 H ILE A 93 31.401 10.039 -19.472 1.00 0.00 H new ATOM 0 HA ILE A 93 33.072 8.801 -17.480 1.00 0.00 H new ATOM 0 HB ILE A 93 33.639 8.436 -20.386 1.00 0.00 H new ATOM 0 HG12 ILE A 93 31.340 8.368 -20.721 1.00 0.00 H new ATOM 0 HG13 ILE A 93 31.732 6.685 -20.431 1.00 0.00 H new ATOM 0 HG21 ILE A 93 33.778 6.032 -19.592 1.00 0.00 H new ATOM 0 HG22 ILE A 93 34.815 7.103 -18.620 1.00 0.00 H new ATOM 0 HG23 ILE A 93 33.245 6.561 -17.979 1.00 0.00 H new ATOM 0 HD11 ILE A 93 29.719 7.346 -19.164 1.00 0.00 H new ATOM 0 HD12 ILE A 93 31.041 6.919 -18.052 1.00 0.00 H new ATOM 0 HD13 ILE A 93 30.643 8.628 -18.346 1.00 0.00 H new