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 65 THR OG1 : rot -20:sc= 0.422 USER MOD Set 1.2: A 85 TYR OH : rot -39:sc= -5.24! USER MOD Set 2.1: A 14 ASN : amide:sc= -0.118 K(o=-0.17,f=-2.4) USER MOD Set 2.2: A 84 GLN :FLIP amide:sc= -0.0562 F(o=-1.2,f=-0.17) USER MOD Set 3.1: A 17 ASN : amide:sc= -1.99 K(o=-1.8,f=-6.6!) USER MOD Set 3.2: A 79 LYS NZ :NH3+ -109:sc= 0.166 (180deg=0) USER MOD Set 4.1: A 12 TYR OH : rot 64:sc= -1.18! USER MOD Set 4.2: A 50 MET CE :methyl -159:sc= -0.0236 (180deg=-0.202) USER MOD Set 4.3: A 53 GLN : amide:sc= -3.71! C(o=-4.9!,f=-12!) USER MOD Set 5.1: A 28 SER OG : rot 156:sc= 0.256 USER MOD Set 5.2: A 77 TYR OH : rot 7:sc= -1.3! USER MOD Set 6.1: A 10 THR OG1 : rot -178:sc= -1.32! USER MOD Set 6.2: A 90 SER OG : rot -110:sc= -0.0369 USER MOD Single : A 8 ASN : amide:sc= -1.51 X(o=-1.5,f=-1.9!) USER MOD Single : A 9 HIS : no HD1:sc= -0.555 K(o=-0.56,f=-1.2) USER MOD Single : A 15 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 LYS NZ :NH3+ 152:sc= -0.219 (180deg=-1.25!) 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 :FLIP no HD1:sc= -1.79 F(o=-2.8!,f=-1.8) USER MOD Single : A 34 SER OG : rot -113:sc= 0.904 USER MOD Single : A 38 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 47 SER OG : rot 180:sc= -0.208 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 LYS NZ :NH3+ -162:sc=-0.00872 (180deg=-0.156) USER MOD Single : A 62 SER OG : rot 180:sc= -0.0562 USER MOD Single : A 63 SER OG : rot -122:sc= 0.117 USER MOD Single : A 66 ASN : amide:sc= -0.0122 X(o=-0.012,f=-0.012) USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 71 MET CE :methyl 125:sc= -0.133 (180deg=-0.915) USER MOD Single : A 72 GLN : amide:sc= -0.0554 X(o=-0.055,f=0) USER MOD Single : A 81 MET CE :methyl -172:sc=-0.000176 (180deg=-0.0373) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 682 N PRO A 7 30.586 -2.551 -28.515 1.00 0.00 N ATOM 683 CA PRO A 7 30.394 -2.338 -27.070 1.00 0.00 C ATOM 684 C PRO A 7 30.669 -0.872 -26.702 1.00 0.00 C ATOM 685 O PRO A 7 31.537 -0.228 -27.289 1.00 0.00 O ATOM 686 CB PRO A 7 31.429 -3.264 -26.424 1.00 0.00 C ATOM 687 CG PRO A 7 32.519 -3.515 -27.492 1.00 0.00 C ATOM 688 CD PRO A 7 31.882 -3.194 -28.856 1.00 0.00 C ATOM 0 HA PRO A 7 29.377 -2.550 -26.740 1.00 0.00 H new ATOM 0 HB2 PRO A 7 31.857 -2.806 -25.533 1.00 0.00 H new ATOM 0 HB3 PRO A 7 30.969 -4.201 -26.111 1.00 0.00 H new ATOM 0 HG2 PRO A 7 33.389 -2.884 -27.313 1.00 0.00 H new ATOM 0 HG3 PRO A 7 32.863 -4.549 -27.459 1.00 0.00 H new ATOM 0 HD2 PRO A 7 32.514 -2.528 -29.443 1.00 0.00 H new ATOM 0 HD3 PRO A 7 31.734 -4.097 -29.448 1.00 0.00 H new ATOM 689 N ASN A 8 29.950 -0.327 -25.745 1.00 0.00 N ATOM 690 CA ASN A 8 30.183 1.096 -25.356 1.00 0.00 C ATOM 691 C ASN A 8 29.837 1.292 -23.870 1.00 0.00 C ATOM 692 O ASN A 8 29.474 0.342 -23.178 1.00 0.00 O ATOM 693 CB ASN A 8 29.297 2.007 -26.211 1.00 0.00 C ATOM 694 CG ASN A 8 30.136 2.639 -27.330 1.00 0.00 C ATOM 695 OD1 ASN A 8 31.242 2.182 -27.613 1.00 0.00 O ATOM 696 ND2 ASN A 8 29.673 3.672 -27.991 1.00 0.00 N ATOM 0 H ASN A 8 29.217 -0.806 -25.222 1.00 0.00 H new ATOM 0 HA ASN A 8 31.231 1.348 -25.517 1.00 0.00 H new ATOM 0 HB2 ASN A 8 28.475 1.434 -26.639 1.00 0.00 H new ATOM 0 HB3 ASN A 8 28.854 2.786 -25.591 1.00 0.00 H new ATOM 0 HD21 ASN A 8 30.229 4.092 -28.735 1.00 0.00 H new ATOM 0 HD22 ASN A 8 28.756 4.056 -27.761 1.00 0.00 H new ATOM 697 N HIS A 9 29.937 2.502 -23.363 1.00 0.00 N ATOM 698 CA HIS A 9 29.607 2.735 -21.923 1.00 0.00 C ATOM 699 C HIS A 9 28.111 3.059 -21.793 1.00 0.00 C ATOM 700 O HIS A 9 27.432 2.560 -20.897 1.00 0.00 O ATOM 701 CB HIS A 9 30.433 3.912 -21.386 1.00 0.00 C ATOM 702 CG HIS A 9 30.952 3.588 -20.012 1.00 0.00 C ATOM 703 ND1 HIS A 9 32.305 3.443 -19.750 1.00 0.00 N ATOM 704 CD2 HIS A 9 30.314 3.380 -18.814 1.00 0.00 C ATOM 705 CE1 HIS A 9 32.436 3.161 -18.442 1.00 0.00 C ATOM 706 NE2 HIS A 9 31.253 3.110 -17.824 1.00 0.00 N ATOM 0 H HIS A 9 30.231 3.330 -23.882 1.00 0.00 H new ATOM 0 HA HIS A 9 29.841 1.840 -21.347 1.00 0.00 H new ATOM 0 HB2 HIS A 9 31.265 4.121 -22.059 1.00 0.00 H new ATOM 0 HB3 HIS A 9 29.819 4.812 -21.350 1.00 0.00 H new ATOM 0 HD2 HIS A 9 29.245 3.420 -18.663 1.00 0.00 H new ATOM 0 HE1 HIS A 9 33.383 2.996 -17.950 1.00 0.00 H new ATOM 0 HE2 HIS A 9 31.076 2.915 -16.839 1.00 0.00 H new ATOM 707 N THR A 10 27.580 3.884 -22.668 1.00 0.00 N ATOM 708 CA THR A 10 26.134 4.232 -22.588 1.00 0.00 C ATOM 709 C THR A 10 25.382 3.503 -23.712 1.00 0.00 C ATOM 710 O THR A 10 25.889 3.379 -24.825 1.00 0.00 O ATOM 711 CB THR A 10 25.982 5.755 -22.753 1.00 0.00 C ATOM 712 OG1 THR A 10 26.568 6.405 -21.634 1.00 0.00 O ATOM 713 CG2 THR A 10 24.501 6.148 -22.849 1.00 0.00 C ATOM 0 H THR A 10 28.090 4.328 -23.431 1.00 0.00 H new ATOM 0 HA THR A 10 25.721 3.929 -21.626 1.00 0.00 H new ATOM 0 HB THR A 10 26.483 6.060 -23.672 1.00 0.00 H new ATOM 0 HG1 THR A 10 26.443 7.374 -21.716 1.00 0.00 H new ATOM 0 HG21 THR A 10 24.418 7.229 -22.965 1.00 0.00 H new ATOM 0 HG22 THR A 10 24.049 5.655 -23.709 1.00 0.00 H new ATOM 0 HG23 THR A 10 23.983 5.840 -21.941 1.00 0.00 H new ATOM 714 N ILE A 11 24.182 3.025 -23.456 1.00 0.00 N ATOM 715 CA ILE A 11 23.427 2.327 -24.532 1.00 0.00 C ATOM 716 C ILE A 11 22.291 3.238 -25.025 1.00 0.00 C ATOM 717 O ILE A 11 21.721 4.016 -24.256 1.00 0.00 O ATOM 718 CB ILE A 11 22.851 1.006 -24.009 1.00 0.00 C ATOM 719 CG1 ILE A 11 21.880 1.275 -22.849 1.00 0.00 C ATOM 720 CG2 ILE A 11 23.995 0.111 -23.524 1.00 0.00 C ATOM 721 CD1 ILE A 11 20.595 0.469 -23.052 1.00 0.00 C ATOM 0 H ILE A 11 23.704 3.091 -22.557 1.00 0.00 H new ATOM 0 HA ILE A 11 24.102 2.105 -25.358 1.00 0.00 H new ATOM 0 HB ILE A 11 22.310 0.508 -24.814 1.00 0.00 H new ATOM 0 HG12 ILE A 11 22.346 1.002 -21.902 1.00 0.00 H new ATOM 0 HG13 ILE A 11 21.648 2.339 -22.796 1.00 0.00 H new ATOM 0 HG21 ILE A 11 23.588 -0.829 -23.151 1.00 0.00 H new ATOM 0 HG22 ILE A 11 24.675 -0.090 -24.351 1.00 0.00 H new ATOM 0 HG23 ILE A 11 24.537 0.615 -22.723 1.00 0.00 H new ATOM 0 HD11 ILE A 11 19.910 0.663 -22.227 1.00 0.00 H new ATOM 0 HD12 ILE A 11 20.125 0.763 -23.991 1.00 0.00 H new ATOM 0 HD13 ILE A 11 20.833 -0.594 -23.083 1.00 0.00 H new ATOM 722 N TYR A 12 21.959 3.165 -26.294 1.00 0.00 N ATOM 723 CA TYR A 12 20.876 4.026 -26.844 1.00 0.00 C ATOM 724 C TYR A 12 19.662 3.143 -27.204 1.00 0.00 C ATOM 725 O TYR A 12 19.778 2.206 -27.991 1.00 0.00 O ATOM 726 CB TYR A 12 21.424 4.749 -28.093 1.00 0.00 C ATOM 727 CG TYR A 12 20.304 5.301 -28.952 1.00 0.00 C ATOM 728 CD1 TYR A 12 19.527 6.371 -28.496 1.00 0.00 C ATOM 729 CD2 TYR A 12 20.052 4.736 -30.207 1.00 0.00 C ATOM 730 CE1 TYR A 12 18.495 6.876 -29.297 1.00 0.00 C ATOM 731 CE2 TYR A 12 19.022 5.240 -31.007 1.00 0.00 C ATOM 732 CZ TYR A 12 18.242 6.311 -30.553 1.00 0.00 C ATOM 733 OH TYR A 12 17.221 6.808 -31.341 1.00 0.00 O ATOM 0 H TYR A 12 22.398 2.541 -26.971 1.00 0.00 H new ATOM 0 HA TYR A 12 20.554 4.767 -26.113 1.00 0.00 H new ATOM 0 HB2 TYR A 12 22.082 5.562 -27.785 1.00 0.00 H new ATOM 0 HB3 TYR A 12 22.027 4.056 -28.680 1.00 0.00 H new ATOM 0 HD1 TYR A 12 19.723 6.807 -27.528 1.00 0.00 H new ATOM 0 HD2 TYR A 12 20.653 3.910 -30.558 1.00 0.00 H new ATOM 0 HE1 TYR A 12 17.894 7.702 -28.946 1.00 0.00 H new ATOM 0 HE2 TYR A 12 18.828 4.803 -31.975 1.00 0.00 H new ATOM 0 HH TYR A 12 17.422 7.734 -31.592 1.00 0.00 H new ATOM 734 N ILE A 13 18.501 3.426 -26.651 1.00 0.00 N ATOM 735 CA ILE A 13 17.299 2.606 -26.976 1.00 0.00 C ATOM 736 C ILE A 13 16.368 3.422 -27.884 1.00 0.00 C ATOM 737 O ILE A 13 16.134 4.603 -27.638 1.00 0.00 O ATOM 738 CB ILE A 13 16.560 2.246 -25.684 1.00 0.00 C ATOM 739 CG1 ILE A 13 17.533 1.584 -24.695 1.00 0.00 C ATOM 740 CG2 ILE A 13 15.418 1.278 -26.005 1.00 0.00 C ATOM 741 CD1 ILE A 13 17.313 2.160 -23.294 1.00 0.00 C ATOM 0 H ILE A 13 18.341 4.188 -25.992 1.00 0.00 H new ATOM 0 HA ILE A 13 17.605 1.691 -27.484 1.00 0.00 H new ATOM 0 HB ILE A 13 16.155 3.153 -25.235 1.00 0.00 H new ATOM 0 HG12 ILE A 13 17.378 0.505 -24.684 1.00 0.00 H new ATOM 0 HG13 ILE A 13 18.562 1.755 -25.012 1.00 0.00 H new ATOM 0 HG21 ILE A 13 14.890 1.020 -25.087 1.00 0.00 H new ATOM 0 HG22 ILE A 13 14.725 1.751 -26.701 1.00 0.00 H new ATOM 0 HG23 ILE A 13 15.824 0.373 -26.456 1.00 0.00 H new ATOM 0 HD11 ILE A 13 18.004 1.689 -22.594 1.00 0.00 H new ATOM 0 HD12 ILE A 13 17.490 3.235 -23.311 1.00 0.00 H new ATOM 0 HD13 ILE A 13 16.288 1.966 -22.978 1.00 0.00 H new ATOM 742 N ASN A 14 15.831 2.829 -28.929 1.00 0.00 N ATOM 743 CA ASN A 14 14.925 3.600 -29.831 1.00 0.00 C ATOM 744 C ASN A 14 13.628 2.807 -30.065 1.00 0.00 C ATOM 745 O ASN A 14 13.421 1.750 -29.471 1.00 0.00 O ATOM 746 CB ASN A 14 15.634 3.861 -31.168 1.00 0.00 C ATOM 747 CG ASN A 14 15.903 2.535 -31.894 1.00 0.00 C ATOM 748 OD1 ASN A 14 16.674 1.707 -31.414 1.00 0.00 O ATOM 749 ND2 ASN A 14 15.310 2.285 -33.037 1.00 0.00 N ATOM 0 H ASN A 14 15.982 1.855 -29.190 1.00 0.00 H new ATOM 0 HA ASN A 14 14.676 4.554 -29.368 1.00 0.00 H new ATOM 0 HB2 ASN A 14 15.019 4.508 -31.794 1.00 0.00 H new ATOM 0 HB3 ASN A 14 16.573 4.385 -30.993 1.00 0.00 H new ATOM 0 HD21 ASN A 14 15.490 1.407 -33.523 1.00 0.00 H new ATOM 0 HD22 ASN A 14 14.669 2.969 -33.439 1.00 0.00 H new ATOM 750 N ASN A 15 12.746 3.291 -30.916 1.00 0.00 N ATOM 751 CA ASN A 15 11.471 2.556 -31.173 1.00 0.00 C ATOM 752 C ASN A 15 10.638 2.506 -29.883 1.00 0.00 C ATOM 753 O ASN A 15 10.044 1.479 -29.559 1.00 0.00 O ATOM 754 CB ASN A 15 11.777 1.129 -31.640 1.00 0.00 C ATOM 755 CG ASN A 15 10.735 0.695 -32.678 1.00 0.00 C ATOM 756 OD1 ASN A 15 10.917 0.918 -33.872 1.00 0.00 O ATOM 757 ND2 ASN A 15 9.642 0.081 -32.291 1.00 0.00 N ATOM 0 H ASN A 15 12.858 4.160 -31.439 1.00 0.00 H new ATOM 0 HA ASN A 15 10.909 3.075 -31.950 1.00 0.00 H new ATOM 0 HB2 ASN A 15 12.777 1.083 -32.072 1.00 0.00 H new ATOM 0 HB3 ASN A 15 11.765 0.447 -30.790 1.00 0.00 H new ATOM 0 HD21 ASN A 15 8.948 -0.209 -32.981 1.00 0.00 H new ATOM 0 HD22 ASN A 15 9.486 -0.107 -31.301 1.00 0.00 H new ATOM 758 N LEU A 16 10.577 3.590 -29.138 1.00 0.00 N ATOM 759 CA LEU A 16 9.776 3.582 -27.879 1.00 0.00 C ATOM 760 C LEU A 16 8.419 4.259 -28.132 1.00 0.00 C ATOM 761 O LEU A 16 8.103 4.630 -29.261 1.00 0.00 O ATOM 762 CB LEU A 16 10.533 4.343 -26.786 1.00 0.00 C ATOM 763 CG LEU A 16 11.932 3.746 -26.616 1.00 0.00 C ATOM 764 CD1 LEU A 16 12.721 4.579 -25.604 1.00 0.00 C ATOM 765 CD2 LEU A 16 11.817 2.307 -26.107 1.00 0.00 C ATOM 0 H LEU A 16 11.046 4.471 -29.350 1.00 0.00 H new ATOM 0 HA LEU A 16 9.614 2.553 -27.557 1.00 0.00 H new ATOM 0 HB2 LEU A 16 10.607 5.398 -27.049 1.00 0.00 H new ATOM 0 HB3 LEU A 16 9.986 4.286 -25.845 1.00 0.00 H new ATOM 0 HG LEU A 16 12.447 3.752 -27.577 1.00 0.00 H new ATOM 0 HD11 LEU A 16 13.718 4.155 -25.482 1.00 0.00 H new ATOM 0 HD12 LEU A 16 12.805 5.605 -25.963 1.00 0.00 H new ATOM 0 HD13 LEU A 16 12.204 4.572 -24.645 1.00 0.00 H new ATOM 0 HD21 LEU A 16 12.814 1.883 -25.986 1.00 0.00 H new ATOM 0 HD22 LEU A 16 11.301 2.301 -25.147 1.00 0.00 H new ATOM 0 HD23 LEU A 16 11.254 1.711 -26.825 1.00 0.00 H new ATOM 766 N ASN A 17 7.608 4.434 -27.109 1.00 0.00 N ATOM 767 CA ASN A 17 6.280 5.093 -27.317 1.00 0.00 C ATOM 768 C ASN A 17 6.485 6.604 -27.469 1.00 0.00 C ATOM 769 O ASN A 17 7.459 7.163 -26.968 1.00 0.00 O ATOM 770 CB ASN A 17 5.357 4.824 -26.118 1.00 0.00 C ATOM 771 CG ASN A 17 4.349 3.722 -26.476 1.00 0.00 C ATOM 772 OD1 ASN A 17 4.079 3.481 -27.650 1.00 0.00 O ATOM 773 ND2 ASN A 17 3.769 3.034 -25.522 1.00 0.00 N ATOM 0 H ASN A 17 7.809 4.151 -26.150 1.00 0.00 H new ATOM 0 HA ASN A 17 5.819 4.686 -28.217 1.00 0.00 H new ATOM 0 HB2 ASN A 17 5.948 4.523 -25.253 1.00 0.00 H new ATOM 0 HB3 ASN A 17 4.829 5.737 -25.841 1.00 0.00 H new ATOM 0 HD21 ASN A 17 3.097 2.303 -25.756 1.00 0.00 H new ATOM 0 HD22 ASN A 17 3.990 3.230 -24.546 1.00 0.00 H new ATOM 774 N GLU A 18 5.588 7.281 -28.150 1.00 0.00 N ATOM 775 CA GLU A 18 5.743 8.754 -28.326 1.00 0.00 C ATOM 776 C GLU A 18 4.817 9.501 -27.351 1.00 0.00 C ATOM 777 O GLU A 18 4.248 10.535 -27.696 1.00 0.00 O ATOM 778 CB GLU A 18 5.377 9.130 -29.762 1.00 0.00 C ATOM 779 CG GLU A 18 6.611 8.995 -30.656 1.00 0.00 C ATOM 780 CD GLU A 18 6.201 9.161 -32.120 1.00 0.00 C ATOM 781 OE1 GLU A 18 5.915 10.281 -32.512 1.00 0.00 O ATOM 782 OE2 GLU A 18 6.181 8.166 -32.826 1.00 0.00 O ATOM 0 H GLU A 18 4.761 6.875 -28.588 1.00 0.00 H new ATOM 0 HA GLU A 18 6.776 9.034 -28.121 1.00 0.00 H new ATOM 0 HB2 GLU A 18 4.579 8.483 -30.126 1.00 0.00 H new ATOM 0 HB3 GLU A 18 5.000 10.152 -29.797 1.00 0.00 H new ATOM 0 HG2 GLU A 18 7.352 9.748 -30.387 1.00 0.00 H new ATOM 0 HG3 GLU A 18 7.077 8.021 -30.506 1.00 0.00 H new ATOM 783 N LYS A 19 4.651 9.009 -26.140 1.00 0.00 N ATOM 784 CA LYS A 19 3.764 9.707 -25.168 1.00 0.00 C ATOM 785 C LYS A 19 4.267 9.475 -23.731 1.00 0.00 C ATOM 786 O LYS A 19 3.471 9.358 -22.800 1.00 0.00 O ATOM 787 CB LYS A 19 2.344 9.158 -25.307 1.00 0.00 C ATOM 788 CG LYS A 19 2.352 7.643 -25.083 1.00 0.00 C ATOM 789 CD LYS A 19 0.971 7.191 -24.604 1.00 0.00 C ATOM 790 CE LYS A 19 -0.037 7.327 -25.747 1.00 0.00 C ATOM 791 NZ LYS A 19 -1.337 6.725 -25.337 1.00 0.00 N ATOM 0 H LYS A 19 5.093 8.158 -25.792 1.00 0.00 H new ATOM 0 HA LYS A 19 3.771 10.777 -25.375 1.00 0.00 H new ATOM 0 HB2 LYS A 19 1.685 9.639 -24.584 1.00 0.00 H new ATOM 0 HB3 LYS A 19 1.951 9.387 -26.297 1.00 0.00 H new ATOM 0 HG2 LYS A 19 2.614 7.129 -26.008 1.00 0.00 H new ATOM 0 HG3 LYS A 19 3.109 7.378 -24.345 1.00 0.00 H new ATOM 0 HD2 LYS A 19 1.013 6.156 -24.264 1.00 0.00 H new ATOM 0 HD3 LYS A 19 0.655 7.794 -23.753 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -0.175 8.378 -26.001 1.00 0.00 H new ATOM 0 HE3 LYS A 19 0.341 6.830 -26.640 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -2.023 6.817 -26.114 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -1.199 5.718 -25.115 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -1.698 7.219 -24.496 1.00 0.00 H new ATOM 792 N ILE A 20 5.566 9.397 -23.523 1.00 0.00 N ATOM 793 CA ILE A 20 6.086 9.165 -22.145 1.00 0.00 C ATOM 794 C ILE A 20 6.523 10.493 -21.524 1.00 0.00 C ATOM 795 O ILE A 20 6.946 11.410 -22.226 1.00 0.00 O ATOM 796 CB ILE A 20 7.298 8.216 -22.181 1.00 0.00 C ATOM 797 CG1 ILE A 20 7.058 7.063 -23.175 1.00 0.00 C ATOM 798 CG2 ILE A 20 7.532 7.641 -20.778 1.00 0.00 C ATOM 799 CD1 ILE A 20 5.770 6.324 -22.815 1.00 0.00 C ATOM 0 H ILE A 20 6.278 9.484 -24.248 1.00 0.00 H new ATOM 0 HA ILE A 20 5.290 8.717 -21.550 1.00 0.00 H new ATOM 0 HB ILE A 20 8.174 8.778 -22.506 1.00 0.00 H new ATOM 0 HG12 ILE A 20 6.991 7.455 -24.190 1.00 0.00 H new ATOM 0 HG13 ILE A 20 7.901 6.373 -23.155 1.00 0.00 H new ATOM 0 HG21 ILE A 20 8.389 6.968 -20.799 1.00 0.00 H new ATOM 0 HG22 ILE A 20 7.726 8.455 -20.079 1.00 0.00 H new ATOM 0 HG23 ILE A 20 6.647 7.091 -20.458 1.00 0.00 H new ATOM 0 HD11 ILE A 20 5.607 5.511 -23.522 1.00 0.00 H new ATOM 0 HD12 ILE A 20 5.853 5.917 -21.807 1.00 0.00 H new ATOM 0 HD13 ILE A 20 4.929 7.016 -22.859 1.00 0.00 H new ATOM 800 N LYS A 21 6.447 10.614 -20.217 1.00 0.00 N ATOM 801 CA LYS A 21 6.880 11.883 -19.568 1.00 0.00 C ATOM 802 C LYS A 21 8.399 11.830 -19.360 1.00 0.00 C ATOM 803 O LYS A 21 9.045 10.853 -19.736 1.00 0.00 O ATOM 804 CB LYS A 21 6.175 12.053 -18.215 1.00 0.00 C ATOM 805 CG LYS A 21 4.678 12.274 -18.444 1.00 0.00 C ATOM 806 CD LYS A 21 3.887 11.646 -17.295 1.00 0.00 C ATOM 807 CE LYS A 21 2.424 11.484 -17.711 1.00 0.00 C ATOM 808 NZ LYS A 21 2.343 10.605 -18.912 1.00 0.00 N ATOM 0 H LYS A 21 6.106 9.892 -19.582 1.00 0.00 H new ATOM 0 HA LYS A 21 6.618 12.730 -20.202 1.00 0.00 H new ATOM 0 HB2 LYS A 21 6.333 11.169 -17.597 1.00 0.00 H new ATOM 0 HB3 LYS A 21 6.600 12.899 -17.675 1.00 0.00 H new ATOM 0 HG2 LYS A 21 4.463 13.341 -18.507 1.00 0.00 H new ATOM 0 HG3 LYS A 21 4.375 11.831 -19.393 1.00 0.00 H new ATOM 0 HD2 LYS A 21 4.311 10.676 -17.035 1.00 0.00 H new ATOM 0 HD3 LYS A 21 3.956 12.273 -16.406 1.00 0.00 H new ATOM 0 HE2 LYS A 21 1.848 11.053 -16.892 1.00 0.00 H new ATOM 0 HE3 LYS A 21 1.987 12.458 -17.930 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 1.426 10.115 -18.922 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 2.436 11.183 -19.772 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 3.110 9.904 -18.881 1.00 0.00 H new ATOM 809 N LYS A 22 8.991 12.845 -18.771 1.00 0.00 N ATOM 810 CA LYS A 22 10.472 12.810 -18.556 1.00 0.00 C ATOM 811 C LYS A 22 10.783 12.060 -17.257 1.00 0.00 C ATOM 812 O LYS A 22 11.743 11.296 -17.191 1.00 0.00 O ATOM 813 CB LYS A 22 11.027 14.233 -18.466 1.00 0.00 C ATOM 814 CG LYS A 22 10.598 15.031 -19.699 1.00 0.00 C ATOM 815 CD LYS A 22 10.849 16.520 -19.456 1.00 0.00 C ATOM 816 CE LYS A 22 12.259 16.883 -19.923 1.00 0.00 C ATOM 817 NZ LYS A 22 12.217 17.299 -21.354 1.00 0.00 N ATOM 0 H LYS A 22 8.519 13.684 -18.435 1.00 0.00 H new ATOM 0 HA LYS A 22 10.939 12.299 -19.398 1.00 0.00 H new ATOM 0 HB2 LYS A 22 10.663 14.719 -17.561 1.00 0.00 H new ATOM 0 HB3 LYS A 22 12.115 14.206 -18.398 1.00 0.00 H new ATOM 0 HG2 LYS A 22 11.155 14.696 -20.574 1.00 0.00 H new ATOM 0 HG3 LYS A 22 9.542 14.859 -19.908 1.00 0.00 H new ATOM 0 HD2 LYS A 22 10.112 17.116 -19.994 1.00 0.00 H new ATOM 0 HD3 LYS A 22 10.735 16.751 -18.397 1.00 0.00 H new ATOM 0 HE2 LYS A 22 12.660 17.690 -19.310 1.00 0.00 H new ATOM 0 HE3 LYS A 22 12.925 16.029 -19.801 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 13.176 17.546 -21.672 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 11.851 16.516 -21.933 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 11.594 18.126 -21.457 1.00 0.00 H new ATOM 818 N ASP A 23 9.987 12.239 -16.230 1.00 0.00 N ATOM 819 CA ASP A 23 10.245 11.502 -14.959 1.00 0.00 C ATOM 820 C ASP A 23 9.774 10.043 -15.113 1.00 0.00 C ATOM 821 O ASP A 23 10.236 9.162 -14.392 1.00 0.00 O ATOM 822 CB ASP A 23 9.490 12.160 -13.797 1.00 0.00 C ATOM 823 CG ASP A 23 10.011 13.584 -13.590 1.00 0.00 C ATOM 824 OD1 ASP A 23 9.930 14.365 -14.524 1.00 0.00 O ATOM 825 OD2 ASP A 23 10.482 13.869 -12.502 1.00 0.00 O ATOM 0 H ASP A 23 9.177 12.859 -16.219 1.00 0.00 H new ATOM 0 HA ASP A 23 11.313 11.528 -14.745 1.00 0.00 H new ATOM 0 HB2 ASP A 23 8.421 12.180 -14.009 1.00 0.00 H new ATOM 0 HB3 ASP A 23 9.624 11.577 -12.886 1.00 0.00 H new ATOM 826 N GLU A 24 8.861 9.759 -16.029 1.00 0.00 N ATOM 827 CA GLU A 24 8.390 8.353 -16.187 1.00 0.00 C ATOM 828 C GLU A 24 9.399 7.545 -17.009 1.00 0.00 C ATOM 829 O GLU A 24 9.697 6.400 -16.674 1.00 0.00 O ATOM 830 CB GLU A 24 7.026 8.323 -16.889 1.00 0.00 C ATOM 831 CG GLU A 24 5.959 8.900 -15.957 1.00 0.00 C ATOM 832 CD GLU A 24 4.591 8.327 -16.331 1.00 0.00 C ATOM 833 OE1 GLU A 24 4.216 8.448 -17.485 1.00 0.00 O ATOM 834 OE2 GLU A 24 3.941 7.778 -15.456 1.00 0.00 O ATOM 0 H GLU A 24 8.434 10.437 -16.660 1.00 0.00 H new ATOM 0 HA GLU A 24 8.294 7.911 -15.195 1.00 0.00 H new ATOM 0 HB2 GLU A 24 7.068 8.900 -17.813 1.00 0.00 H new ATOM 0 HB3 GLU A 24 6.769 7.300 -17.164 1.00 0.00 H new ATOM 0 HG2 GLU A 24 6.196 8.657 -14.921 1.00 0.00 H new ATOM 0 HG3 GLU A 24 5.943 9.987 -16.034 1.00 0.00 H new ATOM 835 N LEU A 25 9.932 8.096 -18.080 1.00 0.00 N ATOM 836 CA LEU A 25 10.912 7.307 -18.893 1.00 0.00 C ATOM 837 C LEU A 25 12.228 7.137 -18.118 1.00 0.00 C ATOM 838 O LEU A 25 12.869 6.091 -18.200 1.00 0.00 O ATOM 839 CB LEU A 25 11.194 8.008 -20.226 1.00 0.00 C ATOM 840 CG LEU A 25 11.455 6.958 -21.305 1.00 0.00 C ATOM 841 CD1 LEU A 25 10.141 6.266 -21.673 1.00 0.00 C ATOM 842 CD2 LEU A 25 12.036 7.640 -22.546 1.00 0.00 C ATOM 0 H LEU A 25 9.735 9.038 -18.418 1.00 0.00 H new ATOM 0 HA LEU A 25 10.479 6.327 -19.092 1.00 0.00 H new ATOM 0 HB2 LEU A 25 10.346 8.632 -20.508 1.00 0.00 H new ATOM 0 HB3 LEU A 25 12.057 8.667 -20.128 1.00 0.00 H new ATOM 0 HG LEU A 25 12.162 6.218 -20.930 1.00 0.00 H new ATOM 0 HD11 LEU A 25 10.327 5.517 -22.443 1.00 0.00 H new ATOM 0 HD12 LEU A 25 9.725 5.782 -20.789 1.00 0.00 H new ATOM 0 HD13 LEU A 25 9.434 7.005 -22.049 1.00 0.00 H new ATOM 0 HD21 LEU A 25 12.223 6.893 -23.318 1.00 0.00 H new ATOM 0 HD22 LEU A 25 11.327 8.379 -22.920 1.00 0.00 H new ATOM 0 HD23 LEU A 25 12.972 8.134 -22.285 1.00 0.00 H new ATOM 843 N LYS A 26 12.651 8.130 -17.367 1.00 0.00 N ATOM 844 CA LYS A 26 13.930 7.986 -16.598 1.00 0.00 C ATOM 845 C LYS A 26 13.728 7.029 -15.408 1.00 0.00 C ATOM 846 O LYS A 26 14.661 6.342 -14.999 1.00 0.00 O ATOM 847 CB LYS A 26 14.395 9.353 -16.076 1.00 0.00 C ATOM 848 CG LYS A 26 15.301 10.015 -17.116 1.00 0.00 C ATOM 849 CD LYS A 26 15.365 11.521 -16.853 1.00 0.00 C ATOM 850 CE LYS A 26 16.107 11.780 -15.540 1.00 0.00 C ATOM 851 NZ LYS A 26 15.522 12.974 -14.867 1.00 0.00 N ATOM 0 H LYS A 26 12.172 9.023 -17.254 1.00 0.00 H new ATOM 0 HA LYS A 26 14.689 7.579 -17.266 1.00 0.00 H new ATOM 0 HB2 LYS A 26 13.533 9.988 -15.872 1.00 0.00 H new ATOM 0 HB3 LYS A 26 14.932 9.232 -15.135 1.00 0.00 H new ATOM 0 HG2 LYS A 26 16.301 9.584 -17.069 1.00 0.00 H new ATOM 0 HG3 LYS A 26 14.919 9.826 -18.119 1.00 0.00 H new ATOM 0 HD2 LYS A 26 15.874 12.023 -17.676 1.00 0.00 H new ATOM 0 HD3 LYS A 26 14.358 11.935 -16.801 1.00 0.00 H new ATOM 0 HE2 LYS A 26 16.032 10.909 -14.889 1.00 0.00 H new ATOM 0 HE3 LYS A 26 17.167 11.942 -15.735 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 16.026 13.151 -13.974 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 15.616 13.803 -15.488 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 14.516 12.802 -14.668 1.00 0.00 H new ATOM 852 N LYS A 27 12.541 6.964 -14.836 1.00 0.00 N ATOM 853 CA LYS A 27 12.328 6.038 -13.675 1.00 0.00 C ATOM 854 C LYS A 27 12.326 4.574 -14.154 1.00 0.00 C ATOM 855 O LYS A 27 12.761 3.682 -13.427 1.00 0.00 O ATOM 856 CB LYS A 27 10.989 6.344 -12.989 1.00 0.00 C ATOM 857 CG LYS A 27 11.079 7.690 -12.267 1.00 0.00 C ATOM 858 CD LYS A 27 11.461 7.463 -10.804 1.00 0.00 C ATOM 859 CE LYS A 27 11.693 8.813 -10.122 1.00 0.00 C ATOM 860 NZ LYS A 27 12.116 8.592 -8.710 1.00 0.00 N ATOM 0 H LYS A 27 11.724 7.505 -15.120 1.00 0.00 H new ATOM 0 HA LYS A 27 13.142 6.187 -12.965 1.00 0.00 H new ATOM 0 HB2 LYS A 27 10.188 6.369 -13.727 1.00 0.00 H new ATOM 0 HB3 LYS A 27 10.744 5.554 -12.279 1.00 0.00 H new ATOM 0 HG2 LYS A 27 11.820 8.326 -12.752 1.00 0.00 H new ATOM 0 HG3 LYS A 27 10.123 8.211 -12.327 1.00 0.00 H new ATOM 0 HD2 LYS A 27 10.670 6.916 -10.291 1.00 0.00 H new ATOM 0 HD3 LYS A 27 12.362 6.853 -10.743 1.00 0.00 H new ATOM 0 HE2 LYS A 27 12.457 9.376 -10.658 1.00 0.00 H new ATOM 0 HE3 LYS A 27 10.780 9.408 -10.150 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 12.274 9.510 -8.247 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 11.373 8.071 -8.202 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 12.998 8.040 -8.694 1.00 0.00 H new ATOM 861 N SER A 28 11.843 4.294 -15.350 1.00 0.00 N ATOM 862 CA SER A 28 11.825 2.872 -15.826 1.00 0.00 C ATOM 863 C SER A 28 13.242 2.435 -16.231 1.00 0.00 C ATOM 864 O SER A 28 13.644 1.300 -15.978 1.00 0.00 O ATOM 865 CB SER A 28 10.887 2.727 -17.030 1.00 0.00 C ATOM 866 OG SER A 28 9.556 3.022 -16.627 1.00 0.00 O ATOM 0 H SER A 28 11.467 4.980 -16.005 1.00 0.00 H new ATOM 0 HA SER A 28 11.467 2.240 -15.014 1.00 0.00 H new ATOM 0 HB2 SER A 28 11.195 3.401 -17.829 1.00 0.00 H new ATOM 0 HB3 SER A 28 10.942 1.714 -17.429 1.00 0.00 H new ATOM 0 HG SER A 28 9.035 3.311 -17.405 1.00 0.00 H new ATOM 867 N LEU A 29 14.012 3.300 -16.856 1.00 0.00 N ATOM 868 CA LEU A 29 15.399 2.898 -17.267 1.00 0.00 C ATOM 869 C LEU A 29 16.272 2.657 -16.023 1.00 0.00 C ATOM 870 O LEU A 29 17.138 1.785 -16.026 1.00 0.00 O ATOM 871 CB LEU A 29 16.041 3.997 -18.127 1.00 0.00 C ATOM 872 CG LEU A 29 15.214 4.202 -19.397 1.00 0.00 C ATOM 873 CD1 LEU A 29 15.475 5.602 -19.955 1.00 0.00 C ATOM 874 CD2 LEU A 29 15.615 3.157 -20.440 1.00 0.00 C ATOM 0 H LEU A 29 13.744 4.254 -17.096 1.00 0.00 H new ATOM 0 HA LEU A 29 15.331 1.978 -17.848 1.00 0.00 H new ATOM 0 HB2 LEU A 29 16.097 4.928 -17.563 1.00 0.00 H new ATOM 0 HB3 LEU A 29 17.063 3.720 -18.387 1.00 0.00 H new ATOM 0 HG LEU A 29 14.155 4.095 -19.162 1.00 0.00 H new ATOM 0 HD11 LEU A 29 14.886 5.749 -20.860 1.00 0.00 H new ATOM 0 HD12 LEU A 29 15.192 6.348 -19.213 1.00 0.00 H new ATOM 0 HD13 LEU A 29 16.534 5.708 -20.190 1.00 0.00 H new ATOM 0 HD21 LEU A 29 15.026 3.302 -21.346 1.00 0.00 H new ATOM 0 HD22 LEU A 29 16.674 3.265 -20.675 1.00 0.00 H new ATOM 0 HD23 LEU A 29 15.431 2.158 -20.044 1.00 0.00 H new ATOM 875 N HIS A 30 16.073 3.408 -14.962 1.00 0.00 N ATOM 876 CA HIS A 30 16.911 3.200 -13.736 1.00 0.00 C ATOM 877 C HIS A 30 16.463 1.945 -12.957 1.00 0.00 C ATOM 878 O HIS A 30 17.221 1.426 -12.140 1.00 0.00 O ATOM 879 CB HIS A 30 16.807 4.422 -12.813 1.00 0.00 C ATOM 880 CG HIS A 30 17.993 4.454 -11.889 1.00 0.00 C ATOM 881 ND1 HIS A 30 19.318 4.745 -12.106 1.00 0.00 N flip ATOM 882 CD2 HIS A 30 17.887 4.158 -10.539 1.00 0.00 C flip ATOM 883 CE1 HIS A 30 20.024 4.632 -10.912 1.00 0.00 C flip ATOM 884 NE2 HIS A 30 19.115 4.276 -10.001 1.00 0.00 N flip ATOM 0 H HIS A 30 15.374 4.148 -14.893 1.00 0.00 H new ATOM 0 HA HIS A 30 17.943 3.063 -14.060 1.00 0.00 H new ATOM 0 HB2 HIS A 30 16.769 5.336 -13.405 1.00 0.00 H new ATOM 0 HB3 HIS A 30 15.884 4.378 -12.236 1.00 0.00 H new ATOM 0 HD2 HIS A 30 16.984 3.883 -10.015 1.00 0.00 H new ATOM 0 HE1 HIS A 30 21.080 4.797 -10.756 1.00 0.00 H new ATOM 0 HE2 HIS A 30 19.326 4.113 -9.016 1.00 0.00 H new ATOM 885 N ALA A 31 15.259 1.444 -13.165 1.00 0.00 N ATOM 886 CA ALA A 31 14.821 0.233 -12.397 1.00 0.00 C ATOM 887 C ALA A 31 15.315 -1.047 -13.092 1.00 0.00 C ATOM 888 O ALA A 31 15.720 -2.000 -12.428 1.00 0.00 O ATOM 889 CB ALA A 31 13.291 0.198 -12.302 1.00 0.00 C ATOM 0 H ALA A 31 14.575 1.817 -13.823 1.00 0.00 H new ATOM 0 HA ALA A 31 15.248 0.286 -11.395 1.00 0.00 H new ATOM 0 HB1 ALA A 31 12.981 -0.685 -11.743 1.00 0.00 H new ATOM 0 HB2 ALA A 31 12.938 1.094 -11.791 1.00 0.00 H new ATOM 0 HB3 ALA A 31 12.865 0.160 -13.305 1.00 0.00 H new ATOM 890 N ILE A 32 15.283 -1.104 -14.407 1.00 0.00 N ATOM 891 CA ILE A 32 15.740 -2.332 -15.105 1.00 0.00 C ATOM 892 C ILE A 32 17.272 -2.334 -15.251 1.00 0.00 C ATOM 893 O ILE A 32 17.938 -3.284 -14.843 1.00 0.00 O ATOM 894 CB ILE A 32 15.088 -2.481 -16.501 1.00 0.00 C ATOM 895 CG1 ILE A 32 14.644 -1.153 -17.146 1.00 0.00 C ATOM 896 CG2 ILE A 32 13.861 -3.372 -16.379 1.00 0.00 C ATOM 897 CD1 ILE A 32 14.376 -1.379 -18.635 1.00 0.00 C ATOM 0 H ILE A 32 14.960 -0.352 -15.016 1.00 0.00 H new ATOM 0 HA ILE A 32 15.430 -3.179 -14.493 1.00 0.00 H new ATOM 0 HB ILE A 32 15.858 -2.906 -17.145 1.00 0.00 H new ATOM 0 HG12 ILE A 32 13.745 -0.780 -16.655 1.00 0.00 H new ATOM 0 HG13 ILE A 32 15.417 -0.395 -17.015 1.00 0.00 H new ATOM 0 HG21 ILE A 32 13.394 -3.484 -17.357 1.00 0.00 H new ATOM 0 HG22 ILE A 32 14.158 -4.352 -16.005 1.00 0.00 H new ATOM 0 HG23 ILE A 32 13.150 -2.920 -15.687 1.00 0.00 H new ATOM 0 HD11 ILE A 32 14.062 -0.442 -19.094 1.00 0.00 H new ATOM 0 HD12 ILE A 32 15.286 -1.733 -19.119 1.00 0.00 H new ATOM 0 HD13 ILE A 32 13.589 -2.123 -18.754 1.00 0.00 H new ATOM 898 N PHE A 33 17.846 -1.309 -15.830 1.00 0.00 N ATOM 899 CA PHE A 33 19.338 -1.285 -16.002 1.00 0.00 C ATOM 900 C PHE A 33 20.034 -1.366 -14.632 1.00 0.00 C ATOM 901 O PHE A 33 21.087 -1.989 -14.504 1.00 0.00 O ATOM 902 CB PHE A 33 19.770 0.001 -16.720 1.00 0.00 C ATOM 903 CG PHE A 33 19.392 -0.094 -18.178 1.00 0.00 C ATOM 904 CD1 PHE A 33 20.003 -1.049 -18.999 1.00 0.00 C ATOM 905 CD2 PHE A 33 18.426 0.769 -18.709 1.00 0.00 C ATOM 906 CE1 PHE A 33 19.649 -1.141 -20.350 1.00 0.00 C ATOM 907 CE2 PHE A 33 18.072 0.678 -20.060 1.00 0.00 C ATOM 908 CZ PHE A 33 18.683 -0.277 -20.881 1.00 0.00 C ATOM 0 H PHE A 33 17.353 -0.492 -16.190 1.00 0.00 H new ATOM 0 HA PHE A 33 19.629 -2.146 -16.603 1.00 0.00 H new ATOM 0 HB2 PHE A 33 19.289 0.866 -16.263 1.00 0.00 H new ATOM 0 HB3 PHE A 33 20.846 0.144 -16.619 1.00 0.00 H new ATOM 0 HD1 PHE A 33 20.748 -1.715 -18.590 1.00 0.00 H new ATOM 0 HD2 PHE A 33 17.954 1.505 -18.076 1.00 0.00 H new ATOM 0 HE1 PHE A 33 20.121 -1.878 -20.983 1.00 0.00 H new ATOM 0 HE2 PHE A 33 17.327 1.345 -20.469 1.00 0.00 H new ATOM 0 HZ PHE A 33 18.410 -0.348 -21.923 1.00 0.00 H new ATOM 909 N SER A 34 19.485 -0.752 -13.604 1.00 0.00 N ATOM 910 CA SER A 34 20.153 -0.816 -12.260 1.00 0.00 C ATOM 911 C SER A 34 20.233 -2.276 -11.783 1.00 0.00 C ATOM 912 O SER A 34 21.208 -2.673 -11.149 1.00 0.00 O ATOM 913 CB SER A 34 19.368 0.005 -11.231 1.00 0.00 C ATOM 914 OG SER A 34 18.056 -0.529 -11.107 1.00 0.00 O ATOM 0 H SER A 34 18.617 -0.218 -13.636 1.00 0.00 H new ATOM 0 HA SER A 34 21.158 -0.404 -12.356 1.00 0.00 H new ATOM 0 HB2 SER A 34 19.875 -0.018 -10.267 1.00 0.00 H new ATOM 0 HB3 SER A 34 19.321 1.049 -11.541 1.00 0.00 H new ATOM 0 HG SER A 34 17.405 0.118 -11.451 1.00 0.00 H new ATOM 915 N ARG A 35 19.231 -3.090 -12.061 1.00 0.00 N ATOM 916 CA ARG A 35 19.277 -4.524 -11.602 1.00 0.00 C ATOM 917 C ARG A 35 20.624 -5.162 -11.989 1.00 0.00 C ATOM 918 O ARG A 35 21.192 -5.939 -11.223 1.00 0.00 O ATOM 919 CB ARG A 35 18.140 -5.325 -12.252 1.00 0.00 C ATOM 920 CG ARG A 35 16.902 -5.281 -11.351 1.00 0.00 C ATOM 921 CD ARG A 35 15.642 -5.191 -12.214 1.00 0.00 C ATOM 922 NE ARG A 35 14.484 -4.798 -11.363 1.00 0.00 N ATOM 923 CZ ARG A 35 13.342 -5.417 -11.489 1.00 0.00 C ATOM 924 NH1 ARG A 35 13.289 -6.716 -11.379 1.00 0.00 N ATOM 925 NH2 ARG A 35 12.254 -4.737 -11.724 1.00 0.00 N ATOM 0 H ARG A 35 18.393 -2.826 -12.580 1.00 0.00 H new ATOM 0 HA ARG A 35 19.162 -4.542 -10.518 1.00 0.00 H new ATOM 0 HB2 ARG A 35 17.904 -4.911 -13.232 1.00 0.00 H new ATOM 0 HB3 ARG A 35 18.452 -6.358 -12.409 1.00 0.00 H new ATOM 0 HG2 ARG A 35 16.863 -6.173 -10.725 1.00 0.00 H new ATOM 0 HG3 ARG A 35 16.958 -4.423 -10.681 1.00 0.00 H new ATOM 0 HD2 ARG A 35 15.786 -4.461 -13.011 1.00 0.00 H new ATOM 0 HD3 ARG A 35 15.446 -6.151 -12.692 1.00 0.00 H new ATOM 0 HE ARG A 35 14.584 -4.045 -10.682 1.00 0.00 H new ATOM 0 HH11 ARG A 35 14.140 -7.247 -11.195 1.00 0.00 H new ATOM 0 HH12 ARG A 35 12.397 -7.200 -11.477 1.00 0.00 H new ATOM 0 HH21 ARG A 35 12.296 -3.721 -11.809 1.00 0.00 H new ATOM 0 HH22 ARG A 35 11.361 -5.221 -11.822 1.00 0.00 H new ATOM 926 N PHE A 36 21.152 -4.852 -13.154 1.00 0.00 N ATOM 927 CA PHE A 36 22.464 -5.453 -13.557 1.00 0.00 C ATOM 928 C PHE A 36 23.589 -4.823 -12.722 1.00 0.00 C ATOM 929 O PHE A 36 24.370 -5.529 -12.086 1.00 0.00 O ATOM 930 CB PHE A 36 22.734 -5.198 -15.046 1.00 0.00 C ATOM 931 CG PHE A 36 21.903 -6.144 -15.879 1.00 0.00 C ATOM 932 CD1 PHE A 36 20.568 -5.836 -16.167 1.00 0.00 C ATOM 933 CD2 PHE A 36 22.468 -7.330 -16.364 1.00 0.00 C ATOM 934 CE1 PHE A 36 19.798 -6.713 -16.940 1.00 0.00 C ATOM 935 CE2 PHE A 36 21.698 -8.207 -17.137 1.00 0.00 C ATOM 936 CZ PHE A 36 20.363 -7.898 -17.425 1.00 0.00 C ATOM 0 H PHE A 36 20.735 -4.216 -13.834 1.00 0.00 H new ATOM 0 HA PHE A 36 22.428 -6.528 -13.383 1.00 0.00 H new ATOM 0 HB2 PHE A 36 22.492 -4.166 -15.299 1.00 0.00 H new ATOM 0 HB3 PHE A 36 23.793 -5.339 -15.264 1.00 0.00 H new ATOM 0 HD1 PHE A 36 20.132 -4.922 -15.793 1.00 0.00 H new ATOM 0 HD2 PHE A 36 23.498 -7.568 -16.142 1.00 0.00 H new ATOM 0 HE1 PHE A 36 18.768 -6.475 -17.162 1.00 0.00 H new ATOM 0 HE2 PHE A 36 22.134 -9.122 -17.511 1.00 0.00 H new ATOM 0 HZ PHE A 36 19.769 -8.574 -18.022 1.00 0.00 H new ATOM 937 N GLY A 37 23.696 -3.510 -12.708 1.00 0.00 N ATOM 938 CA GLY A 37 24.779 -2.861 -11.909 1.00 0.00 C ATOM 939 C GLY A 37 24.314 -1.478 -11.424 1.00 0.00 C ATOM 940 O GLY A 37 23.120 -1.182 -11.420 1.00 0.00 O ATOM 0 H GLY A 37 23.083 -2.869 -13.212 1.00 0.00 H new ATOM 0 HA2 GLY A 37 25.038 -3.487 -11.055 1.00 0.00 H new ATOM 0 HA3 GLY A 37 25.679 -2.760 -12.515 1.00 0.00 H new ATOM 941 N GLN A 38 25.226 -0.621 -11.018 1.00 0.00 N ATOM 942 CA GLN A 38 24.812 0.735 -10.542 1.00 0.00 C ATOM 943 C GLN A 38 24.819 1.713 -11.725 1.00 0.00 C ATOM 944 O GLN A 38 25.749 1.720 -12.528 1.00 0.00 O ATOM 945 CB GLN A 38 25.784 1.229 -9.465 1.00 0.00 C ATOM 946 CG GLN A 38 25.141 2.379 -8.686 1.00 0.00 C ATOM 947 CD GLN A 38 25.985 2.691 -7.443 1.00 0.00 C ATOM 948 OE1 GLN A 38 25.470 2.690 -6.327 1.00 0.00 O ATOM 949 NE2 GLN A 38 27.262 2.960 -7.570 1.00 0.00 N ATOM 0 H GLN A 38 26.229 -0.803 -10.997 1.00 0.00 H new ATOM 0 HA GLN A 38 23.809 0.677 -10.119 1.00 0.00 H new ATOM 0 HB2 GLN A 38 26.038 0.414 -8.787 1.00 0.00 H new ATOM 0 HB3 GLN A 38 26.714 1.562 -9.925 1.00 0.00 H new ATOM 0 HG2 GLN A 38 25.066 3.263 -9.319 1.00 0.00 H new ATOM 0 HG3 GLN A 38 24.126 2.110 -8.392 1.00 0.00 H new ATOM 0 HE21 GLN A 38 27.693 2.962 -8.494 1.00 0.00 H new ATOM 0 HE22 GLN A 38 27.824 3.167 -6.744 1.00 0.00 H new ATOM 950 N ILE A 39 23.803 2.539 -11.857 1.00 0.00 N ATOM 951 CA ILE A 39 23.771 3.502 -12.997 1.00 0.00 C ATOM 952 C ILE A 39 24.244 4.882 -12.522 1.00 0.00 C ATOM 953 O ILE A 39 24.013 5.267 -11.377 1.00 0.00 O ATOM 954 CB ILE A 39 22.342 3.614 -13.533 1.00 0.00 C ATOM 955 CG1 ILE A 39 21.820 2.220 -13.887 1.00 0.00 C ATOM 956 CG2 ILE A 39 22.331 4.493 -14.785 1.00 0.00 C ATOM 957 CD1 ILE A 39 20.295 2.260 -13.984 1.00 0.00 C ATOM 0 H ILE A 39 23.002 2.584 -11.227 1.00 0.00 H new ATOM 0 HA ILE A 39 24.431 3.144 -13.787 1.00 0.00 H new ATOM 0 HB ILE A 39 21.704 4.061 -12.770 1.00 0.00 H new ATOM 0 HG12 ILE A 39 22.247 1.889 -14.834 1.00 0.00 H new ATOM 0 HG13 ILE A 39 22.129 1.500 -13.129 1.00 0.00 H new ATOM 0 HG21 ILE A 39 21.313 4.572 -15.165 1.00 0.00 H new ATOM 0 HG22 ILE A 39 22.703 5.487 -14.535 1.00 0.00 H new ATOM 0 HG23 ILE A 39 22.970 4.048 -15.548 1.00 0.00 H new ATOM 0 HD11 ILE A 39 19.920 1.268 -14.236 1.00 0.00 H new ATOM 0 HD12 ILE A 39 19.878 2.573 -13.027 1.00 0.00 H new ATOM 0 HD13 ILE A 39 19.998 2.968 -14.758 1.00 0.00 H new ATOM 958 N LEU A 40 24.897 5.641 -13.375 1.00 0.00 N ATOM 959 CA LEU A 40 25.369 6.993 -12.955 1.00 0.00 C ATOM 960 C LEU A 40 24.257 8.018 -13.204 1.00 0.00 C ATOM 961 O LEU A 40 23.864 8.755 -12.301 1.00 0.00 O ATOM 962 CB LEU A 40 26.614 7.391 -13.757 1.00 0.00 C ATOM 963 CG LEU A 40 27.668 6.287 -13.648 1.00 0.00 C ATOM 964 CD1 LEU A 40 28.845 6.613 -14.569 1.00 0.00 C ATOM 965 CD2 LEU A 40 28.162 6.197 -12.202 1.00 0.00 C ATOM 0 H LEU A 40 25.120 5.381 -14.336 1.00 0.00 H new ATOM 0 HA LEU A 40 25.621 6.969 -11.895 1.00 0.00 H new ATOM 0 HB2 LEU A 40 26.350 7.554 -14.802 1.00 0.00 H new ATOM 0 HB3 LEU A 40 27.017 8.331 -13.380 1.00 0.00 H new ATOM 0 HG LEU A 40 27.229 5.334 -13.943 1.00 0.00 H new ATOM 0 HD11 LEU A 40 29.596 5.827 -14.492 1.00 0.00 H new ATOM 0 HD12 LEU A 40 28.494 6.679 -15.599 1.00 0.00 H new ATOM 0 HD13 LEU A 40 29.285 7.566 -14.274 1.00 0.00 H new ATOM 0 HD21 LEU A 40 28.913 5.411 -12.122 1.00 0.00 H new ATOM 0 HD22 LEU A 40 28.602 7.150 -11.908 1.00 0.00 H new ATOM 0 HD23 LEU A 40 27.324 5.966 -11.545 1.00 0.00 H new ATOM 966 N ASP A 41 23.740 8.085 -14.410 1.00 0.00 N ATOM 967 CA ASP A 41 22.654 9.072 -14.697 1.00 0.00 C ATOM 968 C ASP A 41 21.883 8.665 -15.967 1.00 0.00 C ATOM 969 O ASP A 41 22.333 7.816 -16.736 1.00 0.00 O ATOM 970 CB ASP A 41 23.270 10.457 -14.902 1.00 0.00 C ATOM 971 CG ASP A 41 23.298 11.207 -13.569 1.00 0.00 C ATOM 972 OD1 ASP A 41 22.301 11.828 -13.241 1.00 0.00 O ATOM 973 OD2 ASP A 41 24.316 11.147 -12.900 1.00 0.00 O ATOM 0 H ASP A 41 24.021 7.504 -15.200 1.00 0.00 H new ATOM 0 HA ASP A 41 21.963 9.093 -13.854 1.00 0.00 H new ATOM 0 HB2 ASP A 41 24.281 10.362 -15.299 1.00 0.00 H new ATOM 0 HB3 ASP A 41 22.691 11.019 -15.635 1.00 0.00 H new ATOM 974 N ILE A 42 20.732 9.257 -16.206 1.00 0.00 N ATOM 975 CA ILE A 42 19.947 8.904 -17.424 1.00 0.00 C ATOM 976 C ILE A 42 19.424 10.195 -18.070 1.00 0.00 C ATOM 977 O ILE A 42 18.863 11.053 -17.390 1.00 0.00 O ATOM 978 CB ILE A 42 18.766 8.011 -17.032 1.00 0.00 C ATOM 979 CG1 ILE A 42 19.276 6.817 -16.221 1.00 0.00 C ATOM 980 CG2 ILE A 42 18.067 7.503 -18.294 1.00 0.00 C ATOM 981 CD1 ILE A 42 18.085 6.031 -15.668 1.00 0.00 C ATOM 0 H ILE A 42 20.308 9.967 -15.608 1.00 0.00 H new ATOM 0 HA ILE A 42 20.581 8.368 -18.130 1.00 0.00 H new ATOM 0 HB ILE A 42 18.061 8.587 -16.432 1.00 0.00 H new ATOM 0 HG12 ILE A 42 19.891 6.173 -16.849 1.00 0.00 H new ATOM 0 HG13 ILE A 42 19.909 7.162 -15.403 1.00 0.00 H new ATOM 0 HG21 ILE A 42 17.227 6.868 -18.014 1.00 0.00 H new ATOM 0 HG22 ILE A 42 17.703 8.351 -18.875 1.00 0.00 H new ATOM 0 HG23 ILE A 42 18.772 6.928 -18.894 1.00 0.00 H new ATOM 0 HD11 ILE A 42 18.447 5.180 -15.090 1.00 0.00 H new ATOM 0 HD12 ILE A 42 17.488 6.679 -15.025 1.00 0.00 H new ATOM 0 HD13 ILE A 42 17.470 5.673 -16.494 1.00 0.00 H new ATOM 982 N LEU A 43 19.598 10.363 -19.364 1.00 0.00 N ATOM 983 CA LEU A 43 19.110 11.611 -20.021 1.00 0.00 C ATOM 984 C LEU A 43 18.017 11.269 -21.045 1.00 0.00 C ATOM 985 O LEU A 43 18.106 10.267 -21.752 1.00 0.00 O ATOM 986 CB LEU A 43 20.275 12.304 -20.738 1.00 0.00 C ATOM 987 CG LEU A 43 21.454 12.471 -19.771 1.00 0.00 C ATOM 988 CD1 LEU A 43 22.477 11.357 -20.012 1.00 0.00 C ATOM 989 CD2 LEU A 43 22.120 13.830 -20.005 1.00 0.00 C ATOM 0 H LEU A 43 20.053 9.693 -19.984 1.00 0.00 H new ATOM 0 HA LEU A 43 18.699 12.276 -19.261 1.00 0.00 H new ATOM 0 HB2 LEU A 43 20.583 11.717 -21.603 1.00 0.00 H new ATOM 0 HB3 LEU A 43 19.957 13.278 -21.110 1.00 0.00 H new ATOM 0 HG LEU A 43 21.089 12.415 -18.745 1.00 0.00 H new ATOM 0 HD11 LEU A 43 23.314 11.477 -19.324 1.00 0.00 H new ATOM 0 HD12 LEU A 43 22.006 10.388 -19.845 1.00 0.00 H new ATOM 0 HD13 LEU A 43 22.840 11.412 -21.038 1.00 0.00 H new ATOM 0 HD21 LEU A 43 22.958 13.948 -19.318 1.00 0.00 H new ATOM 0 HD22 LEU A 43 22.482 13.886 -21.031 1.00 0.00 H new ATOM 0 HD23 LEU A 43 21.395 14.625 -19.833 1.00 0.00 H new ATOM 990 N VAL A 44 16.988 12.084 -21.148 1.00 0.00 N ATOM 991 CA VAL A 44 15.905 11.799 -22.133 1.00 0.00 C ATOM 992 C VAL A 44 15.556 13.094 -22.883 1.00 0.00 C ATOM 993 O VAL A 44 15.373 14.144 -22.269 1.00 0.00 O ATOM 994 CB VAL A 44 14.664 11.279 -21.402 1.00 0.00 C ATOM 995 CG1 VAL A 44 14.961 9.903 -20.804 1.00 0.00 C ATOM 996 CG2 VAL A 44 14.285 12.249 -20.279 1.00 0.00 C ATOM 0 H VAL A 44 16.857 12.929 -20.592 1.00 0.00 H new ATOM 0 HA VAL A 44 16.244 11.043 -22.841 1.00 0.00 H new ATOM 0 HB VAL A 44 13.837 11.199 -22.108 1.00 0.00 H new ATOM 0 HG11 VAL A 44 14.077 9.534 -20.284 1.00 0.00 H new ATOM 0 HG12 VAL A 44 15.229 9.210 -21.601 1.00 0.00 H new ATOM 0 HG13 VAL A 44 15.789 9.983 -20.100 1.00 0.00 H new ATOM 0 HG21 VAL A 44 13.402 11.877 -19.760 1.00 0.00 H new ATOM 0 HG22 VAL A 44 15.112 12.331 -19.574 1.00 0.00 H new ATOM 0 HG23 VAL A 44 14.071 13.230 -20.703 1.00 0.00 H new ATOM 997 N SER A 45 15.466 13.052 -24.196 1.00 0.00 N ATOM 998 CA SER A 45 15.137 14.293 -24.955 1.00 0.00 C ATOM 999 C SER A 45 13.805 14.113 -25.698 1.00 0.00 C ATOM 1000 O SER A 45 13.450 13.005 -26.096 1.00 0.00 O ATOM 1001 CB SER A 45 16.249 14.582 -25.964 1.00 0.00 C ATOM 1002 OG SER A 45 17.500 14.201 -25.407 1.00 0.00 O ATOM 0 H SER A 45 15.606 12.217 -24.765 1.00 0.00 H new ATOM 0 HA SER A 45 15.049 15.127 -24.259 1.00 0.00 H new ATOM 0 HB2 SER A 45 16.068 14.034 -26.889 1.00 0.00 H new ATOM 0 HB3 SER A 45 16.259 15.642 -26.218 1.00 0.00 H new ATOM 0 HG SER A 45 18.215 14.384 -26.052 1.00 0.00 H new ATOM 1003 N ARG A 46 13.055 15.179 -25.896 1.00 0.00 N ATOM 1004 CA ARG A 46 11.754 15.051 -26.614 1.00 0.00 C ATOM 1005 C ARG A 46 11.791 15.881 -27.908 1.00 0.00 C ATOM 1006 O ARG A 46 10.807 16.523 -28.271 1.00 0.00 O ATOM 1007 CB ARG A 46 10.625 15.561 -25.715 1.00 0.00 C ATOM 1008 CG ARG A 46 9.289 14.998 -26.204 1.00 0.00 C ATOM 1009 CD ARG A 46 8.159 15.955 -25.820 1.00 0.00 C ATOM 1010 NE ARG A 46 7.618 15.575 -24.485 1.00 0.00 N ATOM 1011 CZ ARG A 46 6.455 14.991 -24.394 1.00 0.00 C ATOM 1012 NH1 ARG A 46 5.368 15.709 -24.317 1.00 0.00 N ATOM 1013 NH2 ARG A 46 6.378 13.688 -24.379 1.00 0.00 N ATOM 0 H ARG A 46 13.292 16.123 -25.591 1.00 0.00 H new ATOM 0 HA ARG A 46 11.581 14.004 -26.862 1.00 0.00 H new ATOM 0 HB2 ARG A 46 10.803 15.259 -24.683 1.00 0.00 H new ATOM 0 HB3 ARG A 46 10.599 16.651 -25.728 1.00 0.00 H new ATOM 0 HG2 ARG A 46 9.313 14.863 -27.285 1.00 0.00 H new ATOM 0 HG3 ARG A 46 9.113 14.016 -25.764 1.00 0.00 H new ATOM 0 HD2 ARG A 46 8.529 16.980 -25.796 1.00 0.00 H new ATOM 0 HD3 ARG A 46 7.368 15.919 -26.569 1.00 0.00 H new ATOM 0 HE ARG A 46 8.157 15.772 -23.642 1.00 0.00 H new ATOM 0 HH11 ARG A 46 5.428 16.727 -24.328 1.00 0.00 H new ATOM 0 HH12 ARG A 46 4.459 15.252 -24.246 1.00 0.00 H new ATOM 0 HH21 ARG A 46 7.227 13.126 -24.438 1.00 0.00 H new ATOM 0 HH22 ARG A 46 5.469 13.232 -24.308 1.00 0.00 H new ATOM 1014 N SER A 47 12.900 15.882 -28.617 1.00 0.00 N ATOM 1015 CA SER A 47 12.974 16.673 -29.886 1.00 0.00 C ATOM 1016 C SER A 47 12.496 15.795 -31.054 1.00 0.00 C ATOM 1017 O SER A 47 12.158 14.628 -30.860 1.00 0.00 O ATOM 1018 CB SER A 47 14.419 17.117 -30.135 1.00 0.00 C ATOM 1019 OG SER A 47 15.254 15.969 -30.222 1.00 0.00 O ATOM 0 H SER A 47 13.749 15.373 -28.372 1.00 0.00 H new ATOM 0 HA SER A 47 12.339 17.555 -29.805 1.00 0.00 H new ATOM 0 HB2 SER A 47 14.480 17.696 -31.056 1.00 0.00 H new ATOM 0 HB3 SER A 47 14.757 17.766 -29.327 1.00 0.00 H new ATOM 0 HG SER A 47 16.179 16.249 -30.383 1.00 0.00 H new ATOM 1020 N LEU A 48 12.453 16.320 -32.265 1.00 0.00 N ATOM 1021 CA LEU A 48 11.985 15.477 -33.418 1.00 0.00 C ATOM 1022 C LEU A 48 12.842 14.204 -33.501 1.00 0.00 C ATOM 1023 O LEU A 48 12.321 13.091 -33.457 1.00 0.00 O ATOM 1024 CB LEU A 48 12.106 16.247 -34.740 1.00 0.00 C ATOM 1025 CG LEU A 48 11.357 15.499 -35.843 1.00 0.00 C ATOM 1026 CD1 LEU A 48 10.704 16.511 -36.788 1.00 0.00 C ATOM 1027 CD2 LEU A 48 12.338 14.625 -36.628 1.00 0.00 C ATOM 0 H LEU A 48 12.717 17.277 -32.499 1.00 0.00 H new ATOM 0 HA LEU A 48 10.939 15.218 -33.254 1.00 0.00 H new ATOM 0 HB2 LEU A 48 11.697 17.251 -34.626 1.00 0.00 H new ATOM 0 HB3 LEU A 48 13.156 16.359 -35.012 1.00 0.00 H new ATOM 0 HG LEU A 48 10.589 14.867 -35.397 1.00 0.00 H new ATOM 0 HD11 LEU A 48 10.169 15.981 -37.576 1.00 0.00 H new ATOM 0 HD12 LEU A 48 10.004 17.132 -36.229 1.00 0.00 H new ATOM 0 HD13 LEU A 48 11.473 17.142 -37.233 1.00 0.00 H new ATOM 0 HD21 LEU A 48 11.802 14.092 -37.414 1.00 0.00 H new ATOM 0 HD22 LEU A 48 13.108 15.254 -37.075 1.00 0.00 H new ATOM 0 HD23 LEU A 48 12.804 13.905 -35.954 1.00 0.00 H new ATOM 1028 N LYS A 49 14.146 14.339 -33.618 1.00 0.00 N ATOM 1029 CA LYS A 49 15.013 13.119 -33.698 1.00 0.00 C ATOM 1030 C LYS A 49 14.814 12.271 -32.433 1.00 0.00 C ATOM 1031 O LYS A 49 14.758 11.045 -32.503 1.00 0.00 O ATOM 1032 CB LYS A 49 16.491 13.517 -33.809 1.00 0.00 C ATOM 1033 CG LYS A 49 16.792 13.973 -35.238 1.00 0.00 C ATOM 1034 CD LYS A 49 18.306 14.084 -35.430 1.00 0.00 C ATOM 1035 CE LYS A 49 18.603 14.898 -36.691 1.00 0.00 C ATOM 1036 NZ LYS A 49 20.077 15.050 -36.847 1.00 0.00 N ATOM 0 H LYS A 49 14.640 15.230 -33.661 1.00 0.00 H new ATOM 0 HA LYS A 49 14.733 12.546 -34.582 1.00 0.00 H new ATOM 0 HB2 LYS A 49 16.716 14.318 -33.105 1.00 0.00 H new ATOM 0 HB3 LYS A 49 17.127 12.672 -33.544 1.00 0.00 H new ATOM 0 HG2 LYS A 49 16.375 13.264 -35.953 1.00 0.00 H new ATOM 0 HG3 LYS A 49 16.319 14.936 -35.431 1.00 0.00 H new ATOM 0 HD2 LYS A 49 18.759 14.561 -34.561 1.00 0.00 H new ATOM 0 HD3 LYS A 49 18.746 13.090 -35.514 1.00 0.00 H new ATOM 0 HE2 LYS A 49 18.183 14.401 -37.565 1.00 0.00 H new ATOM 0 HE3 LYS A 49 18.130 15.878 -36.624 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 20.280 15.603 -37.704 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 20.465 15.542 -36.017 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 20.516 14.111 -36.929 1.00 0.00 H new ATOM 1037 N MET A 50 14.705 12.891 -31.276 1.00 0.00 N ATOM 1038 CA MET A 50 14.510 12.099 -30.025 1.00 0.00 C ATOM 1039 C MET A 50 13.009 11.989 -29.714 1.00 0.00 C ATOM 1040 O MET A 50 12.558 12.368 -28.633 1.00 0.00 O ATOM 1041 CB MET A 50 15.228 12.792 -28.859 1.00 0.00 C ATOM 1042 CG MET A 50 16.596 12.143 -28.632 1.00 0.00 C ATOM 1043 SD MET A 50 17.880 13.168 -29.390 1.00 0.00 S ATOM 1044 CE MET A 50 18.772 11.832 -30.221 1.00 0.00 C ATOM 0 H MET A 50 14.743 13.902 -31.150 1.00 0.00 H new ATOM 0 HA MET A 50 14.925 11.100 -30.162 1.00 0.00 H new ATOM 0 HB2 MET A 50 15.350 13.853 -29.075 1.00 0.00 H new ATOM 0 HB3 MET A 50 14.626 12.718 -27.954 1.00 0.00 H new ATOM 0 HG2 MET A 50 16.786 12.033 -27.564 1.00 0.00 H new ATOM 0 HG3 MET A 50 16.612 11.142 -29.063 1.00 0.00 H new ATOM 0 HE1 MET A 50 19.790 12.155 -30.440 1.00 0.00 H new ATOM 0 HE2 MET A 50 18.801 10.956 -29.573 1.00 0.00 H new ATOM 0 HE3 MET A 50 18.264 11.579 -31.151 1.00 0.00 H new ATOM 1045 N ARG A 51 12.219 11.473 -30.632 1.00 0.00 N ATOM 1046 CA ARG A 51 10.758 11.345 -30.363 1.00 0.00 C ATOM 1047 C ARG A 51 10.440 9.887 -29.990 1.00 0.00 C ATOM 1048 O ARG A 51 9.500 9.291 -30.512 1.00 0.00 O ATOM 1049 CB ARG A 51 9.967 11.746 -31.616 1.00 0.00 C ATOM 1050 CG ARG A 51 8.846 12.720 -31.234 1.00 0.00 C ATOM 1051 CD ARG A 51 8.681 13.779 -32.330 1.00 0.00 C ATOM 1052 NE ARG A 51 8.576 15.127 -31.704 1.00 0.00 N ATOM 1053 CZ ARG A 51 7.449 15.513 -31.170 1.00 0.00 C ATOM 1054 NH1 ARG A 51 7.084 15.046 -30.008 1.00 0.00 N ATOM 1055 NH2 ARG A 51 6.688 16.367 -31.799 1.00 0.00 N ATOM 0 H ARG A 51 12.525 11.140 -31.546 1.00 0.00 H new ATOM 0 HA ARG A 51 10.476 12.001 -29.539 1.00 0.00 H new ATOM 0 HB2 ARG A 51 10.632 12.211 -32.344 1.00 0.00 H new ATOM 0 HB3 ARG A 51 9.545 10.860 -32.090 1.00 0.00 H new ATOM 0 HG2 ARG A 51 7.911 12.177 -31.097 1.00 0.00 H new ATOM 0 HG3 ARG A 51 9.078 13.200 -30.283 1.00 0.00 H new ATOM 0 HD2 ARG A 51 9.531 13.748 -33.012 1.00 0.00 H new ATOM 0 HD3 ARG A 51 7.790 13.570 -32.922 1.00 0.00 H new ATOM 0 HE ARG A 51 9.385 15.748 -31.693 1.00 0.00 H new ATOM 0 HH11 ARG A 51 7.679 14.379 -29.517 1.00 0.00 H new ATOM 0 HH12 ARG A 51 6.203 15.348 -29.591 1.00 0.00 H new ATOM 0 HH21 ARG A 51 6.974 16.732 -32.707 1.00 0.00 H new ATOM 0 HH22 ARG A 51 5.807 16.669 -31.382 1.00 0.00 H new ATOM 1056 N GLY A 52 11.207 9.299 -29.097 1.00 0.00 N ATOM 1057 CA GLY A 52 10.944 7.884 -28.701 1.00 0.00 C ATOM 1058 C GLY A 52 12.281 7.169 -28.450 1.00 0.00 C ATOM 1059 O GLY A 52 12.600 6.182 -29.112 1.00 0.00 O ATOM 0 H GLY A 52 11.999 9.740 -28.630 1.00 0.00 H new ATOM 0 HA2 GLY A 52 10.328 7.854 -27.802 1.00 0.00 H new ATOM 0 HA3 GLY A 52 10.387 7.372 -29.486 1.00 0.00 H new ATOM 1060 N GLN A 53 13.074 7.644 -27.512 1.00 0.00 N ATOM 1061 CA GLN A 53 14.389 6.979 -27.242 1.00 0.00 C ATOM 1062 C GLN A 53 15.069 7.606 -26.009 1.00 0.00 C ATOM 1063 O GLN A 53 14.656 8.661 -25.528 1.00 0.00 O ATOM 1064 CB GLN A 53 15.298 7.149 -28.460 1.00 0.00 C ATOM 1065 CG GLN A 53 15.447 8.637 -28.786 1.00 0.00 C ATOM 1066 CD GLN A 53 15.835 8.800 -30.261 1.00 0.00 C ATOM 1067 OE1 GLN A 53 16.985 9.101 -30.572 1.00 0.00 O ATOM 1068 NE2 GLN A 53 14.935 8.618 -31.198 1.00 0.00 N ATOM 0 H GLN A 53 12.868 8.455 -26.929 1.00 0.00 H new ATOM 0 HA GLN A 53 14.215 5.921 -27.048 1.00 0.00 H new ATOM 0 HB2 GLN A 53 16.276 6.710 -28.261 1.00 0.00 H new ATOM 0 HB3 GLN A 53 14.879 6.619 -29.316 1.00 0.00 H new ATOM 0 HG2 GLN A 53 14.512 9.160 -28.585 1.00 0.00 H new ATOM 0 HG3 GLN A 53 16.207 9.086 -28.147 1.00 0.00 H new ATOM 0 HE21 GLN A 53 13.979 8.368 -30.945 1.00 0.00 H new ATOM 0 HE22 GLN A 53 15.191 8.726 -32.179 1.00 0.00 H new ATOM 1069 N ALA A 54 16.103 6.982 -25.482 1.00 0.00 N ATOM 1070 CA ALA A 54 16.784 7.561 -24.284 1.00 0.00 C ATOM 1071 C ALA A 54 18.240 7.068 -24.212 1.00 0.00 C ATOM 1072 O ALA A 54 18.688 6.303 -25.061 1.00 0.00 O ATOM 1073 CB ALA A 54 16.036 7.129 -23.021 1.00 0.00 C ATOM 0 H ALA A 54 16.497 6.107 -25.829 1.00 0.00 H new ATOM 0 HA ALA A 54 16.782 8.648 -24.362 1.00 0.00 H new ATOM 0 HB1 ALA A 54 16.529 7.549 -22.144 1.00 0.00 H new ATOM 0 HB2 ALA A 54 15.008 7.489 -23.066 1.00 0.00 H new ATOM 0 HB3 ALA A 54 16.037 6.041 -22.952 1.00 0.00 H new ATOM 1074 N PHE A 55 18.989 7.489 -23.216 1.00 0.00 N ATOM 1075 CA PHE A 55 20.405 7.036 -23.101 1.00 0.00 C ATOM 1076 C PHE A 55 20.709 6.714 -21.632 1.00 0.00 C ATOM 1077 O PHE A 55 20.373 7.493 -20.741 1.00 0.00 O ATOM 1078 CB PHE A 55 21.343 8.149 -23.574 1.00 0.00 C ATOM 1079 CG PHE A 55 20.994 8.548 -24.987 1.00 0.00 C ATOM 1080 CD1 PHE A 55 19.858 9.328 -25.236 1.00 0.00 C ATOM 1081 CD2 PHE A 55 21.812 8.144 -26.049 1.00 0.00 C ATOM 1082 CE1 PHE A 55 19.541 9.704 -26.547 1.00 0.00 C ATOM 1083 CE2 PHE A 55 21.494 8.519 -27.360 1.00 0.00 C ATOM 1084 CZ PHE A 55 20.359 9.299 -27.608 1.00 0.00 C ATOM 0 H PHE A 55 18.677 8.125 -22.482 1.00 0.00 H new ATOM 0 HA PHE A 55 20.555 6.150 -23.718 1.00 0.00 H new ATOM 0 HB2 PHE A 55 21.261 9.011 -22.912 1.00 0.00 H new ATOM 0 HB3 PHE A 55 22.378 7.809 -23.528 1.00 0.00 H new ATOM 0 HD1 PHE A 55 19.227 9.639 -24.417 1.00 0.00 H new ATOM 0 HD2 PHE A 55 22.689 7.543 -25.857 1.00 0.00 H new ATOM 0 HE1 PHE A 55 18.665 10.306 -26.739 1.00 0.00 H new ATOM 0 HE2 PHE A 55 22.124 8.206 -28.179 1.00 0.00 H new ATOM 0 HZ PHE A 55 20.114 9.589 -28.619 1.00 0.00 H new ATOM 1085 N VAL A 56 21.334 5.591 -21.349 1.00 0.00 N ATOM 1086 CA VAL A 56 21.639 5.262 -19.923 1.00 0.00 C ATOM 1087 C VAL A 56 23.151 5.040 -19.750 1.00 0.00 C ATOM 1088 O VAL A 56 23.799 4.429 -20.596 1.00 0.00 O ATOM 1089 CB VAL A 56 20.870 3.997 -19.509 1.00 0.00 C ATOM 1090 CG1 VAL A 56 21.320 2.799 -20.356 1.00 0.00 C ATOM 1091 CG2 VAL A 56 21.123 3.706 -18.024 1.00 0.00 C ATOM 0 H VAL A 56 21.640 4.901 -22.034 1.00 0.00 H new ATOM 0 HA VAL A 56 21.329 6.092 -19.288 1.00 0.00 H new ATOM 0 HB VAL A 56 19.805 4.161 -19.672 1.00 0.00 H new ATOM 0 HG11 VAL A 56 20.767 1.910 -20.052 1.00 0.00 H new ATOM 0 HG12 VAL A 56 21.126 3.004 -21.409 1.00 0.00 H new ATOM 0 HG13 VAL A 56 22.387 2.630 -20.210 1.00 0.00 H new ATOM 0 HG21 VAL A 56 20.578 2.809 -17.731 1.00 0.00 H new ATOM 0 HG22 VAL A 56 22.190 3.552 -17.860 1.00 0.00 H new ATOM 0 HG23 VAL A 56 20.782 4.550 -17.425 1.00 0.00 H new ATOM 1092 N ILE A 57 23.729 5.518 -18.668 1.00 0.00 N ATOM 1093 CA ILE A 57 25.190 5.319 -18.459 1.00 0.00 C ATOM 1094 C ILE A 57 25.390 4.178 -17.451 1.00 0.00 C ATOM 1095 O ILE A 57 24.836 4.206 -16.353 1.00 0.00 O ATOM 1096 CB ILE A 57 25.812 6.614 -17.920 1.00 0.00 C ATOM 1097 CG1 ILE A 57 25.623 7.731 -18.950 1.00 0.00 C ATOM 1098 CG2 ILE A 57 27.309 6.409 -17.671 1.00 0.00 C ATOM 1099 CD1 ILE A 57 24.315 8.473 -18.670 1.00 0.00 C ATOM 0 H ILE A 57 23.250 6.033 -17.930 1.00 0.00 H new ATOM 0 HA ILE A 57 25.674 5.064 -19.402 1.00 0.00 H new ATOM 0 HB ILE A 57 25.324 6.884 -16.983 1.00 0.00 H new ATOM 0 HG12 ILE A 57 26.463 8.425 -18.907 1.00 0.00 H new ATOM 0 HG13 ILE A 57 25.607 7.312 -19.956 1.00 0.00 H new ATOM 0 HG21 ILE A 57 27.744 7.332 -17.288 1.00 0.00 H new ATOM 0 HG22 ILE A 57 27.451 5.612 -16.941 1.00 0.00 H new ATOM 0 HG23 ILE A 57 27.799 6.137 -18.606 1.00 0.00 H new ATOM 0 HD11 ILE A 57 24.183 9.267 -19.404 1.00 0.00 H new ATOM 0 HD12 ILE A 57 23.480 7.776 -18.736 1.00 0.00 H new ATOM 0 HD13 ILE A 57 24.349 8.905 -17.670 1.00 0.00 H new ATOM 1100 N PHE A 58 26.163 3.172 -17.797 1.00 0.00 N ATOM 1101 CA PHE A 58 26.373 2.044 -16.846 1.00 0.00 C ATOM 1102 C PHE A 58 27.678 2.264 -16.068 1.00 0.00 C ATOM 1103 O PHE A 58 28.604 2.909 -16.557 1.00 0.00 O ATOM 1104 CB PHE A 58 26.449 0.723 -17.620 1.00 0.00 C ATOM 1105 CG PHE A 58 25.162 -0.048 -17.437 1.00 0.00 C ATOM 1106 CD1 PHE A 58 24.693 -0.332 -16.148 1.00 0.00 C ATOM 1107 CD2 PHE A 58 24.439 -0.478 -18.556 1.00 0.00 C ATOM 1108 CE1 PHE A 58 23.501 -1.047 -15.979 1.00 0.00 C ATOM 1109 CE2 PHE A 58 23.247 -1.192 -18.386 1.00 0.00 C ATOM 1110 CZ PHE A 58 22.778 -1.477 -17.098 1.00 0.00 C ATOM 0 H PHE A 58 26.651 3.089 -18.689 1.00 0.00 H new ATOM 0 HA PHE A 58 25.538 2.002 -16.146 1.00 0.00 H new ATOM 0 HB2 PHE A 58 26.619 0.920 -18.679 1.00 0.00 H new ATOM 0 HB3 PHE A 58 27.293 0.131 -17.266 1.00 0.00 H new ATOM 0 HD1 PHE A 58 25.251 0.000 -15.285 1.00 0.00 H new ATOM 0 HD2 PHE A 58 24.801 -0.259 -19.550 1.00 0.00 H new ATOM 0 HE1 PHE A 58 23.139 -1.267 -14.985 1.00 0.00 H new ATOM 0 HE2 PHE A 58 22.689 -1.523 -19.249 1.00 0.00 H new ATOM 0 HZ PHE A 58 21.859 -2.028 -16.968 1.00 0.00 H new ATOM 1111 N LYS A 59 27.774 1.743 -14.863 1.00 0.00 N ATOM 1112 CA LYS A 59 29.029 1.933 -14.063 1.00 0.00 C ATOM 1113 C LYS A 59 30.244 1.467 -14.882 1.00 0.00 C ATOM 1114 O LYS A 59 31.303 2.092 -14.843 1.00 0.00 O ATOM 1115 CB LYS A 59 28.960 1.121 -12.762 1.00 0.00 C ATOM 1116 CG LYS A 59 30.087 1.558 -11.824 1.00 0.00 C ATOM 1117 CD LYS A 59 29.715 1.209 -10.382 1.00 0.00 C ATOM 1118 CE LYS A 59 30.979 1.187 -9.519 1.00 0.00 C ATOM 1119 NZ LYS A 59 31.730 -0.076 -9.770 1.00 0.00 N ATOM 0 H LYS A 59 27.044 1.199 -14.403 1.00 0.00 H new ATOM 0 HA LYS A 59 29.130 2.991 -13.822 1.00 0.00 H new ATOM 0 HB2 LYS A 59 27.994 1.269 -12.280 1.00 0.00 H new ATOM 0 HB3 LYS A 59 29.047 0.057 -12.981 1.00 0.00 H new ATOM 0 HG2 LYS A 59 31.018 1.062 -12.101 1.00 0.00 H new ATOM 0 HG3 LYS A 59 30.257 2.631 -11.918 1.00 0.00 H new ATOM 0 HD2 LYS A 59 29.008 1.940 -9.991 1.00 0.00 H new ATOM 0 HD3 LYS A 59 29.221 0.238 -10.348 1.00 0.00 H new ATOM 0 HE2 LYS A 59 31.606 2.048 -9.751 1.00 0.00 H new ATOM 0 HE3 LYS A 59 30.714 1.261 -8.464 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 32.401 -0.241 -8.993 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 31.062 -0.872 -9.826 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 32.251 0.002 -10.667 1.00 0.00 H new ATOM 1120 N GLU A 60 30.122 0.385 -15.622 1.00 0.00 N ATOM 1121 CA GLU A 60 31.278 -0.095 -16.427 1.00 0.00 C ATOM 1122 C GLU A 60 30.792 -0.566 -17.807 1.00 0.00 C ATOM 1123 O GLU A 60 29.609 -0.841 -18.000 1.00 0.00 O ATOM 1124 CB GLU A 60 31.959 -1.258 -15.701 1.00 0.00 C ATOM 1125 CG GLU A 60 33.448 -1.276 -16.051 1.00 0.00 C ATOM 1126 CD GLU A 60 34.229 -1.960 -14.927 1.00 0.00 C ATOM 1127 OE1 GLU A 60 34.148 -1.490 -13.804 1.00 0.00 O ATOM 1128 OE2 GLU A 60 34.896 -2.942 -15.209 1.00 0.00 O ATOM 0 H GLU A 60 29.275 -0.178 -15.698 1.00 0.00 H new ATOM 0 HA GLU A 60 31.989 0.721 -16.556 1.00 0.00 H new ATOM 0 HB2 GLU A 60 31.829 -1.154 -14.624 1.00 0.00 H new ATOM 0 HB3 GLU A 60 31.495 -2.202 -15.989 1.00 0.00 H new ATOM 0 HG2 GLU A 60 33.605 -1.805 -16.991 1.00 0.00 H new ATOM 0 HG3 GLU A 60 33.811 -0.258 -16.193 1.00 0.00 H new ATOM 1129 N VAL A 61 31.680 -0.668 -18.773 1.00 0.00 N ATOM 1130 CA VAL A 61 31.251 -1.127 -20.136 1.00 0.00 C ATOM 1131 C VAL A 61 30.641 -2.537 -20.041 1.00 0.00 C ATOM 1132 O VAL A 61 29.677 -2.851 -20.737 1.00 0.00 O ATOM 1133 CB VAL A 61 32.457 -1.148 -21.093 1.00 0.00 C ATOM 1134 CG1 VAL A 61 32.014 -1.617 -22.484 1.00 0.00 C ATOM 1135 CG2 VAL A 61 33.050 0.262 -21.199 1.00 0.00 C ATOM 0 H VAL A 61 32.673 -0.455 -18.678 1.00 0.00 H new ATOM 0 HA VAL A 61 30.504 -0.434 -20.523 1.00 0.00 H new ATOM 0 HB VAL A 61 33.208 -1.836 -20.704 1.00 0.00 H new ATOM 0 HG11 VAL A 61 32.873 -1.629 -23.155 1.00 0.00 H new ATOM 0 HG12 VAL A 61 31.595 -2.621 -22.413 1.00 0.00 H new ATOM 0 HG13 VAL A 61 31.258 -0.935 -22.874 1.00 0.00 H new ATOM 0 HG21 VAL A 61 33.904 0.248 -21.876 1.00 0.00 H new ATOM 0 HG22 VAL A 61 32.294 0.947 -21.583 1.00 0.00 H new ATOM 0 HG23 VAL A 61 33.375 0.595 -20.213 1.00 0.00 H new ATOM 1136 N SER A 62 31.178 -3.396 -19.202 1.00 0.00 N ATOM 1137 CA SER A 62 30.608 -4.781 -19.089 1.00 0.00 C ATOM 1138 C SER A 62 29.153 -4.711 -18.591 1.00 0.00 C ATOM 1139 O SER A 62 28.310 -5.495 -19.018 1.00 0.00 O ATOM 1140 CB SER A 62 31.438 -5.621 -18.109 1.00 0.00 C ATOM 1141 OG SER A 62 30.895 -5.493 -16.801 1.00 0.00 O ATOM 0 H SER A 62 31.976 -3.202 -18.598 1.00 0.00 H new ATOM 0 HA SER A 62 30.635 -5.248 -20.074 1.00 0.00 H new ATOM 0 HB2 SER A 62 31.434 -6.667 -18.416 1.00 0.00 H new ATOM 0 HB3 SER A 62 32.476 -5.290 -18.118 1.00 0.00 H new ATOM 0 HG SER A 62 31.423 -6.030 -16.174 1.00 0.00 H new ATOM 1142 N SER A 63 28.837 -3.803 -17.691 1.00 0.00 N ATOM 1143 CA SER A 63 27.426 -3.719 -17.178 1.00 0.00 C ATOM 1144 C SER A 63 26.437 -3.505 -18.342 1.00 0.00 C ATOM 1145 O SER A 63 25.307 -3.991 -18.295 1.00 0.00 O ATOM 1146 CB SER A 63 27.291 -2.557 -16.185 1.00 0.00 C ATOM 1147 OG SER A 63 26.500 -2.975 -15.080 1.00 0.00 O ATOM 0 H SER A 63 29.486 -3.124 -17.294 1.00 0.00 H new ATOM 0 HA SER A 63 27.192 -4.658 -16.676 1.00 0.00 H new ATOM 0 HB2 SER A 63 28.276 -2.239 -15.843 1.00 0.00 H new ATOM 0 HB3 SER A 63 26.830 -1.698 -16.673 1.00 0.00 H new ATOM 0 HG SER A 63 25.723 -2.384 -14.992 1.00 0.00 H new ATOM 1148 N ALA A 64 26.823 -2.799 -19.386 1.00 0.00 N ATOM 1149 CA ALA A 64 25.877 -2.582 -20.526 1.00 0.00 C ATOM 1150 C ALA A 64 25.826 -3.840 -21.405 1.00 0.00 C ATOM 1151 O ALA A 64 24.796 -4.138 -22.005 1.00 0.00 O ATOM 1152 CB ALA A 64 26.327 -1.383 -21.375 1.00 0.00 C ATOM 0 H ALA A 64 27.742 -2.370 -19.494 1.00 0.00 H new ATOM 0 HA ALA A 64 24.886 -2.378 -20.122 1.00 0.00 H new ATOM 0 HB1 ALA A 64 25.629 -1.239 -22.200 1.00 0.00 H new ATOM 0 HB2 ALA A 64 26.348 -0.486 -20.756 1.00 0.00 H new ATOM 0 HB3 ALA A 64 27.324 -1.573 -21.773 1.00 0.00 H new ATOM 1153 N THR A 65 26.909 -4.584 -21.508 1.00 0.00 N ATOM 1154 CA THR A 65 26.879 -5.809 -22.365 1.00 0.00 C ATOM 1155 C THR A 65 25.819 -6.781 -21.827 1.00 0.00 C ATOM 1156 O THR A 65 25.076 -7.386 -22.596 1.00 0.00 O ATOM 1157 CB THR A 65 28.249 -6.503 -22.363 1.00 0.00 C ATOM 1158 OG1 THR A 65 29.264 -5.543 -22.620 1.00 0.00 O ATOM 1159 CG2 THR A 65 28.278 -7.583 -23.446 1.00 0.00 C ATOM 0 H THR A 65 27.797 -4.396 -21.042 1.00 0.00 H new ATOM 0 HA THR A 65 26.634 -5.516 -23.386 1.00 0.00 H new ATOM 0 HB THR A 65 28.422 -6.964 -21.390 1.00 0.00 H new ATOM 0 HG1 THR A 65 28.869 -4.757 -23.053 1.00 0.00 H new ATOM 0 HG21 THR A 65 29.251 -8.075 -23.444 1.00 0.00 H new ATOM 0 HG22 THR A 65 27.499 -8.319 -23.247 1.00 0.00 H new ATOM 0 HG23 THR A 65 28.105 -7.126 -24.420 1.00 0.00 H new ATOM 1160 N ASN A 66 25.727 -6.948 -20.524 1.00 0.00 N ATOM 1161 CA ASN A 66 24.705 -7.890 -19.965 1.00 0.00 C ATOM 1162 C ASN A 66 23.307 -7.269 -20.099 1.00 0.00 C ATOM 1163 O ASN A 66 22.347 -7.957 -20.434 1.00 0.00 O ATOM 1164 CB ASN A 66 24.994 -8.172 -18.485 1.00 0.00 C ATOM 1165 CG ASN A 66 26.458 -8.598 -18.321 1.00 0.00 C ATOM 1166 OD1 ASN A 66 26.886 -9.590 -18.907 1.00 0.00 O ATOM 1167 ND2 ASN A 66 27.260 -7.901 -17.552 1.00 0.00 N ATOM 0 H ASN A 66 26.310 -6.477 -19.832 1.00 0.00 H new ATOM 0 HA ASN A 66 24.749 -8.826 -20.521 1.00 0.00 H new ATOM 0 HB2 ASN A 66 24.794 -7.282 -17.889 1.00 0.00 H new ATOM 0 HB3 ASN A 66 24.333 -8.957 -18.118 1.00 0.00 H new ATOM 0 HD21 ASN A 66 28.234 -8.183 -17.442 1.00 0.00 H new ATOM 0 HD22 ASN A 66 26.910 -7.077 -17.064 1.00 0.00 H new ATOM 1168 N ALA A 67 23.164 -5.985 -19.845 1.00 0.00 N ATOM 1169 CA ALA A 67 21.809 -5.350 -19.970 1.00 0.00 C ATOM 1170 C ALA A 67 21.262 -5.501 -21.408 1.00 0.00 C ATOM 1171 O ALA A 67 20.051 -5.440 -21.619 1.00 0.00 O ATOM 1172 CB ALA A 67 21.888 -3.856 -19.622 1.00 0.00 C ATOM 0 H ALA A 67 23.916 -5.358 -19.560 1.00 0.00 H new ATOM 0 HA ALA A 67 21.138 -5.856 -19.276 1.00 0.00 H new ATOM 0 HB1 ALA A 67 20.899 -3.408 -19.717 1.00 0.00 H new ATOM 0 HB2 ALA A 67 22.243 -3.739 -18.598 1.00 0.00 H new ATOM 0 HB3 ALA A 67 22.578 -3.360 -20.304 1.00 0.00 H new ATOM 1173 N LEU A 68 22.108 -5.684 -22.405 1.00 0.00 N ATOM 1174 CA LEU A 68 21.593 -5.818 -23.805 1.00 0.00 C ATOM 1175 C LEU A 68 21.289 -7.293 -24.130 1.00 0.00 C ATOM 1176 O LEU A 68 20.337 -7.588 -24.850 1.00 0.00 O ATOM 1177 CB LEU A 68 22.644 -5.291 -24.791 1.00 0.00 C ATOM 1178 CG LEU A 68 21.950 -4.666 -26.001 1.00 0.00 C ATOM 1179 CD1 LEU A 68 21.658 -3.192 -25.717 1.00 0.00 C ATOM 1180 CD2 LEU A 68 22.865 -4.777 -27.223 1.00 0.00 C ATOM 0 H LEU A 68 23.121 -5.745 -22.306 1.00 0.00 H new ATOM 0 HA LEU A 68 20.674 -5.238 -23.895 1.00 0.00 H new ATOM 0 HB2 LEU A 68 23.277 -4.551 -24.301 1.00 0.00 H new ATOM 0 HB3 LEU A 68 23.294 -6.104 -25.113 1.00 0.00 H new ATOM 0 HG LEU A 68 21.014 -5.190 -26.195 1.00 0.00 H new ATOM 0 HD11 LEU A 68 21.163 -2.746 -26.580 1.00 0.00 H new ATOM 0 HD12 LEU A 68 21.009 -3.111 -24.845 1.00 0.00 H new ATOM 0 HD13 LEU A 68 22.593 -2.667 -25.524 1.00 0.00 H new ATOM 0 HD21 LEU A 68 22.373 -4.332 -28.088 1.00 0.00 H new ATOM 0 HD22 LEU A 68 23.799 -4.251 -27.027 1.00 0.00 H new ATOM 0 HD23 LEU A 68 23.075 -5.827 -27.426 1.00 0.00 H new ATOM 1181 N ARG A 69 22.073 -8.226 -23.630 1.00 0.00 N ATOM 1182 CA ARG A 69 21.800 -9.670 -23.945 1.00 0.00 C ATOM 1183 C ARG A 69 20.432 -10.086 -23.380 1.00 0.00 C ATOM 1184 O ARG A 69 19.707 -10.863 -23.999 1.00 0.00 O ATOM 1185 CB ARG A 69 22.887 -10.574 -23.338 1.00 0.00 C ATOM 1186 CG ARG A 69 24.262 -10.218 -23.922 1.00 0.00 C ATOM 1187 CD ARG A 69 24.269 -10.429 -25.440 1.00 0.00 C ATOM 1188 NE ARG A 69 25.351 -11.387 -25.802 1.00 0.00 N ATOM 1189 CZ ARG A 69 26.515 -10.941 -26.189 1.00 0.00 C ATOM 1190 NH1 ARG A 69 26.590 -10.066 -27.154 1.00 0.00 N ATOM 1191 NH2 ARG A 69 27.603 -11.370 -25.610 1.00 0.00 N ATOM 0 H ARG A 69 22.877 -8.054 -23.027 1.00 0.00 H new ATOM 0 HA ARG A 69 21.802 -9.785 -25.029 1.00 0.00 H new ATOM 0 HB2 ARG A 69 22.903 -10.458 -22.254 1.00 0.00 H new ATOM 0 HB3 ARG A 69 22.657 -11.619 -23.543 1.00 0.00 H new ATOM 0 HG2 ARG A 69 24.504 -9.181 -23.692 1.00 0.00 H new ATOM 0 HG3 ARG A 69 25.032 -10.836 -23.459 1.00 0.00 H new ATOM 0 HD2 ARG A 69 23.303 -10.813 -25.769 1.00 0.00 H new ATOM 0 HD3 ARG A 69 24.425 -9.478 -25.950 1.00 0.00 H new ATOM 0 HE ARG A 69 25.182 -12.391 -25.747 1.00 0.00 H new ATOM 0 HH11 ARG A 69 25.739 -9.731 -27.606 1.00 0.00 H new ATOM 0 HH12 ARG A 69 27.499 -9.717 -27.457 1.00 0.00 H new ATOM 0 HH21 ARG A 69 27.544 -12.054 -24.855 1.00 0.00 H new ATOM 0 HH22 ARG A 69 28.513 -11.022 -25.912 1.00 0.00 H new ATOM 1192 N SER A 70 20.060 -9.596 -22.218 1.00 0.00 N ATOM 1193 CA SER A 70 18.740 -9.982 -21.632 1.00 0.00 C ATOM 1194 C SER A 70 17.633 -9.031 -22.120 1.00 0.00 C ATOM 1195 O SER A 70 16.482 -9.440 -22.267 1.00 0.00 O ATOM 1196 CB SER A 70 18.814 -9.929 -20.102 1.00 0.00 C ATOM 1197 OG SER A 70 18.113 -11.040 -19.559 1.00 0.00 O ATOM 0 H SER A 70 20.612 -8.949 -21.655 1.00 0.00 H new ATOM 0 HA SER A 70 18.504 -10.996 -21.954 1.00 0.00 H new ATOM 0 HB2 SER A 70 19.854 -9.946 -19.776 1.00 0.00 H new ATOM 0 HB3 SER A 70 18.381 -8.998 -19.738 1.00 0.00 H new ATOM 0 HG SER A 70 18.160 -11.010 -18.581 1.00 0.00 H new ATOM 1198 N MET A 71 17.939 -7.772 -22.371 1.00 0.00 N ATOM 1199 CA MET A 71 16.878 -6.833 -22.840 1.00 0.00 C ATOM 1200 C MET A 71 16.985 -6.626 -24.361 1.00 0.00 C ATOM 1201 O MET A 71 16.698 -5.541 -24.864 1.00 0.00 O ATOM 1202 CB MET A 71 17.041 -5.486 -22.132 1.00 0.00 C ATOM 1203 CG MET A 71 17.075 -5.703 -20.618 1.00 0.00 C ATOM 1204 SD MET A 71 16.262 -4.313 -19.791 1.00 0.00 S ATOM 1205 CE MET A 71 14.564 -4.738 -20.249 1.00 0.00 C ATOM 0 H MET A 71 18.869 -7.365 -22.270 1.00 0.00 H new ATOM 0 HA MET A 71 15.901 -7.257 -22.607 1.00 0.00 H new ATOM 0 HB2 MET A 71 17.960 -5.000 -22.461 1.00 0.00 H new ATOM 0 HB3 MET A 71 16.217 -4.823 -22.396 1.00 0.00 H new ATOM 0 HG2 MET A 71 16.573 -6.636 -20.362 1.00 0.00 H new ATOM 0 HG3 MET A 71 18.106 -5.791 -20.276 1.00 0.00 H new ATOM 0 HE1 MET A 71 13.952 -4.810 -19.350 1.00 0.00 H new ATOM 0 HE2 MET A 71 14.159 -3.965 -20.903 1.00 0.00 H new ATOM 0 HE3 MET A 71 14.557 -5.695 -20.771 1.00 0.00 H new ATOM 1206 N GLN A 72 17.377 -7.636 -25.112 1.00 0.00 N ATOM 1207 CA GLN A 72 17.475 -7.460 -26.594 1.00 0.00 C ATOM 1208 C GLN A 72 16.081 -7.645 -27.209 1.00 0.00 C ATOM 1209 O GLN A 72 15.668 -8.765 -27.505 1.00 0.00 O ATOM 1210 CB GLN A 72 18.439 -8.494 -27.190 1.00 0.00 C ATOM 1211 CG GLN A 72 18.702 -8.163 -28.661 1.00 0.00 C ATOM 1212 CD GLN A 72 20.007 -7.366 -28.782 1.00 0.00 C ATOM 1213 OE1 GLN A 72 21.085 -7.950 -28.874 1.00 0.00 O ATOM 1214 NE2 GLN A 72 19.976 -6.056 -28.786 1.00 0.00 N ATOM 0 H GLN A 72 17.629 -8.561 -24.764 1.00 0.00 H new ATOM 0 HA GLN A 72 17.853 -6.462 -26.815 1.00 0.00 H new ATOM 0 HB2 GLN A 72 19.376 -8.495 -26.634 1.00 0.00 H new ATOM 0 HB3 GLN A 72 18.015 -9.494 -27.102 1.00 0.00 H new ATOM 0 HG2 GLN A 72 18.769 -9.081 -29.245 1.00 0.00 H new ATOM 0 HG3 GLN A 72 17.872 -7.586 -29.069 1.00 0.00 H new ATOM 0 HE21 GLN A 72 19.084 -5.567 -28.710 1.00 0.00 H new ATOM 0 HE22 GLN A 72 20.844 -5.526 -28.865 1.00 0.00 H new ATOM 1215 N GLY A 73 15.339 -6.575 -27.398 1.00 0.00 N ATOM 1216 CA GLY A 73 13.973 -6.712 -27.981 1.00 0.00 C ATOM 1217 C GLY A 73 12.989 -7.092 -26.866 1.00 0.00 C ATOM 1218 O GLY A 73 12.392 -8.167 -26.893 1.00 0.00 O ATOM 0 H GLY A 73 15.623 -5.621 -27.174 1.00 0.00 H new ATOM 0 HA2 GLY A 73 13.668 -5.776 -28.449 1.00 0.00 H new ATOM 0 HA3 GLY A 73 13.971 -7.474 -28.760 1.00 0.00 H new ATOM 1219 N PHE A 74 12.811 -6.240 -25.878 1.00 0.00 N ATOM 1220 CA PHE A 74 11.871 -6.574 -24.768 1.00 0.00 C ATOM 1221 C PHE A 74 10.824 -5.456 -24.619 1.00 0.00 C ATOM 1222 O PHE A 74 10.989 -4.384 -25.196 1.00 0.00 O ATOM 1223 CB PHE A 74 12.658 -6.713 -23.463 1.00 0.00 C ATOM 1224 CG PHE A 74 12.951 -8.171 -23.202 1.00 0.00 C ATOM 1225 CD1 PHE A 74 13.829 -8.869 -24.040 1.00 0.00 C ATOM 1226 CD2 PHE A 74 12.344 -8.825 -22.124 1.00 0.00 C ATOM 1227 CE1 PHE A 74 14.099 -10.222 -23.800 1.00 0.00 C ATOM 1228 CE2 PHE A 74 12.614 -10.178 -21.883 1.00 0.00 C ATOM 1229 CZ PHE A 74 13.492 -10.876 -22.721 1.00 0.00 C ATOM 0 H PHE A 74 13.275 -5.335 -25.798 1.00 0.00 H new ATOM 0 HA PHE A 74 11.364 -7.513 -24.993 1.00 0.00 H new ATOM 0 HB2 PHE A 74 13.589 -6.150 -23.526 1.00 0.00 H new ATOM 0 HB3 PHE A 74 12.087 -6.292 -22.635 1.00 0.00 H new ATOM 0 HD1 PHE A 74 14.298 -8.364 -24.871 1.00 0.00 H new ATOM 0 HD2 PHE A 74 11.667 -8.286 -21.478 1.00 0.00 H new ATOM 0 HE1 PHE A 74 14.775 -10.761 -24.447 1.00 0.00 H new ATOM 0 HE2 PHE A 74 12.145 -10.683 -21.051 1.00 0.00 H new ATOM 0 HZ PHE A 74 13.701 -11.919 -22.535 1.00 0.00 H new ATOM 1230 N PRO A 75 9.772 -5.713 -23.860 1.00 0.00 N ATOM 1231 CA PRO A 75 8.704 -4.719 -23.648 1.00 0.00 C ATOM 1232 C PRO A 75 9.145 -3.660 -22.623 1.00 0.00 C ATOM 1233 O PRO A 75 9.739 -3.985 -21.596 1.00 0.00 O ATOM 1234 CB PRO A 75 7.536 -5.548 -23.108 1.00 0.00 C ATOM 1235 CG PRO A 75 8.151 -6.835 -22.509 1.00 0.00 C ATOM 1236 CD PRO A 75 9.541 -6.998 -23.150 1.00 0.00 C ATOM 0 HA PRO A 75 8.447 -4.172 -24.555 1.00 0.00 H new ATOM 0 HB2 PRO A 75 6.984 -4.993 -22.350 1.00 0.00 H new ATOM 0 HB3 PRO A 75 6.831 -5.789 -23.903 1.00 0.00 H new ATOM 0 HG2 PRO A 75 8.231 -6.758 -21.425 1.00 0.00 H new ATOM 0 HG3 PRO A 75 7.523 -7.700 -22.721 1.00 0.00 H new ATOM 0 HD2 PRO A 75 10.308 -7.179 -22.397 1.00 0.00 H new ATOM 0 HD3 PRO A 75 9.565 -7.843 -23.839 1.00 0.00 H new ATOM 1237 N PHE A 76 8.863 -2.399 -22.875 1.00 0.00 N ATOM 1238 CA PHE A 76 9.264 -1.335 -21.910 1.00 0.00 C ATOM 1239 C PHE A 76 8.026 -0.501 -21.542 1.00 0.00 C ATOM 1240 O PHE A 76 7.640 -0.432 -20.377 1.00 0.00 O ATOM 1241 CB PHE A 76 10.328 -0.439 -22.556 1.00 0.00 C ATOM 1242 CG PHE A 76 11.007 0.411 -21.502 1.00 0.00 C ATOM 1243 CD1 PHE A 76 11.464 -0.167 -20.309 1.00 0.00 C ATOM 1244 CD2 PHE A 76 11.183 1.783 -21.724 1.00 0.00 C ATOM 1245 CE1 PHE A 76 12.093 0.627 -19.342 1.00 0.00 C ATOM 1246 CE2 PHE A 76 11.811 2.575 -20.757 1.00 0.00 C ATOM 1247 CZ PHE A 76 12.266 1.998 -19.566 1.00 0.00 C ATOM 0 H PHE A 76 8.374 -2.068 -23.706 1.00 0.00 H new ATOM 0 HA PHE A 76 9.678 -1.785 -21.008 1.00 0.00 H new ATOM 0 HB2 PHE A 76 11.067 -1.053 -23.070 1.00 0.00 H new ATOM 0 HB3 PHE A 76 9.867 0.201 -23.308 1.00 0.00 H new ATOM 0 HD1 PHE A 76 11.331 -1.225 -20.136 1.00 0.00 H new ATOM 0 HD2 PHE A 76 10.833 2.230 -22.643 1.00 0.00 H new ATOM 0 HE1 PHE A 76 12.445 0.182 -18.423 1.00 0.00 H new ATOM 0 HE2 PHE A 76 11.945 3.633 -20.930 1.00 0.00 H new ATOM 0 HZ PHE A 76 12.751 2.610 -18.820 1.00 0.00 H new ATOM 1248 N TYR A 77 7.386 0.126 -22.508 1.00 0.00 N ATOM 1249 CA TYR A 77 6.175 0.932 -22.195 1.00 0.00 C ATOM 1250 C TYR A 77 4.969 0.350 -22.950 1.00 0.00 C ATOM 1251 O TYR A 77 4.429 0.979 -23.859 1.00 0.00 O ATOM 1252 CB TYR A 77 6.395 2.384 -22.623 1.00 0.00 C ATOM 1253 CG TYR A 77 6.853 3.192 -21.435 1.00 0.00 C ATOM 1254 CD1 TYR A 77 8.141 3.009 -20.926 1.00 0.00 C ATOM 1255 CD2 TYR A 77 5.992 4.122 -20.844 1.00 0.00 C ATOM 1256 CE1 TYR A 77 8.572 3.755 -19.825 1.00 0.00 C ATOM 1257 CE2 TYR A 77 6.422 4.872 -19.742 1.00 0.00 C ATOM 1258 CZ TYR A 77 7.713 4.689 -19.233 1.00 0.00 C ATOM 1259 OH TYR A 77 8.136 5.426 -18.147 1.00 0.00 O ATOM 0 H TYR A 77 7.655 0.109 -23.492 1.00 0.00 H new ATOM 0 HA TYR A 77 5.986 0.900 -21.122 1.00 0.00 H new ATOM 0 HB2 TYR A 77 7.139 2.432 -23.418 1.00 0.00 H new ATOM 0 HB3 TYR A 77 5.471 2.800 -23.026 1.00 0.00 H new ATOM 0 HD1 TYR A 77 8.805 2.290 -21.384 1.00 0.00 H new ATOM 0 HD2 TYR A 77 4.996 4.262 -21.237 1.00 0.00 H new ATOM 0 HE1 TYR A 77 9.567 3.611 -19.431 1.00 0.00 H new ATOM 0 HE2 TYR A 77 5.758 5.591 -19.285 1.00 0.00 H new ATOM 0 HH TYR A 77 9.088 5.257 -17.988 1.00 0.00 H new ATOM 1260 N ASP A 78 4.531 -0.841 -22.599 1.00 0.00 N ATOM 1261 CA ASP A 78 3.365 -1.447 -23.306 1.00 0.00 C ATOM 1262 C ASP A 78 3.695 -1.612 -24.800 1.00 0.00 C ATOM 1263 O ASP A 78 2.848 -1.376 -25.660 1.00 0.00 O ATOM 1264 CB ASP A 78 2.141 -0.539 -23.148 1.00 0.00 C ATOM 1265 CG ASP A 78 1.271 -1.051 -21.999 1.00 0.00 C ATOM 1266 OD1 ASP A 78 0.540 -2.004 -22.215 1.00 0.00 O ATOM 1267 OD2 ASP A 78 1.349 -0.482 -20.923 1.00 0.00 O ATOM 0 H ASP A 78 4.933 -1.413 -21.856 1.00 0.00 H new ATOM 0 HA ASP A 78 3.149 -2.424 -22.874 1.00 0.00 H new ATOM 0 HB2 ASP A 78 2.458 0.485 -22.950 1.00 0.00 H new ATOM 0 HB3 ASP A 78 1.566 -0.521 -24.074 1.00 0.00 H new ATOM 1268 N LYS A 79 4.904 -2.016 -25.132 1.00 0.00 N ATOM 1269 CA LYS A 79 5.259 -2.190 -26.579 1.00 0.00 C ATOM 1270 C LYS A 79 6.659 -2.830 -26.705 1.00 0.00 C ATOM 1271 O LYS A 79 7.486 -2.669 -25.813 1.00 0.00 O ATOM 1272 CB LYS A 79 5.255 -0.820 -27.272 1.00 0.00 C ATOM 1273 CG LYS A 79 4.110 -0.753 -28.292 1.00 0.00 C ATOM 1274 CD LYS A 79 3.897 0.700 -28.745 1.00 0.00 C ATOM 1275 CE LYS A 79 4.267 0.844 -30.225 1.00 0.00 C ATOM 1276 NZ LYS A 79 4.290 2.288 -30.595 1.00 0.00 N ATOM 0 H LYS A 79 5.651 -2.230 -24.471 1.00 0.00 H new ATOM 0 HA LYS A 79 4.526 -2.843 -27.053 1.00 0.00 H new ATOM 0 HB2 LYS A 79 5.140 -0.029 -26.531 1.00 0.00 H new ATOM 0 HB3 LYS A 79 6.209 -0.653 -27.772 1.00 0.00 H new ATOM 0 HG2 LYS A 79 4.341 -1.381 -29.152 1.00 0.00 H new ATOM 0 HG3 LYS A 79 3.194 -1.143 -27.849 1.00 0.00 H new ATOM 0 HD2 LYS A 79 2.857 0.989 -28.591 1.00 0.00 H new ATOM 0 HD3 LYS A 79 4.508 1.372 -28.141 1.00 0.00 H new ATOM 0 HE2 LYS A 79 5.242 0.394 -30.412 1.00 0.00 H new ATOM 0 HE3 LYS A 79 3.546 0.311 -30.844 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 3.478 2.502 -31.209 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 4.235 2.868 -29.734 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 5.173 2.503 -31.101 1.00 0.00 H new ATOM 1277 N PRO A 80 6.903 -3.541 -27.795 1.00 0.00 N ATOM 1278 CA PRO A 80 8.204 -4.199 -28.018 1.00 0.00 C ATOM 1279 C PRO A 80 9.253 -3.174 -28.478 1.00 0.00 C ATOM 1280 O PRO A 80 8.931 -2.219 -29.183 1.00 0.00 O ATOM 1281 CB PRO A 80 7.912 -5.217 -29.125 1.00 0.00 C ATOM 1282 CG PRO A 80 6.649 -4.713 -29.861 1.00 0.00 C ATOM 1283 CD PRO A 80 5.929 -3.754 -28.895 1.00 0.00 C ATOM 0 HA PRO A 80 8.607 -4.663 -27.118 1.00 0.00 H new ATOM 0 HB2 PRO A 80 8.755 -5.297 -29.811 1.00 0.00 H new ATOM 0 HB3 PRO A 80 7.747 -6.210 -28.706 1.00 0.00 H new ATOM 0 HG2 PRO A 80 6.918 -4.202 -30.786 1.00 0.00 H new ATOM 0 HG3 PRO A 80 6.001 -5.546 -30.134 1.00 0.00 H new ATOM 0 HD2 PRO A 80 5.671 -2.815 -29.385 1.00 0.00 H new ATOM 0 HD3 PRO A 80 4.999 -4.186 -28.525 1.00 0.00 H new ATOM 1284 N MET A 81 10.502 -3.346 -28.095 1.00 0.00 N ATOM 1285 CA MET A 81 11.548 -2.368 -28.521 1.00 0.00 C ATOM 1286 C MET A 81 12.933 -3.038 -28.521 1.00 0.00 C ATOM 1287 O MET A 81 13.288 -3.755 -27.585 1.00 0.00 O ATOM 1288 CB MET A 81 11.558 -1.175 -27.558 1.00 0.00 C ATOM 1289 CG MET A 81 11.664 -1.672 -26.113 1.00 0.00 C ATOM 1290 SD MET A 81 12.766 -0.581 -25.179 1.00 0.00 S ATOM 1291 CE MET A 81 13.572 -1.864 -24.190 1.00 0.00 C ATOM 0 H MET A 81 10.834 -4.114 -27.512 1.00 0.00 H new ATOM 0 HA MET A 81 11.320 -2.023 -29.530 1.00 0.00 H new ATOM 0 HB2 MET A 81 12.397 -0.518 -27.788 1.00 0.00 H new ATOM 0 HB3 MET A 81 10.649 -0.587 -27.684 1.00 0.00 H new ATOM 0 HG2 MET A 81 10.677 -1.692 -25.651 1.00 0.00 H new ATOM 0 HG3 MET A 81 12.045 -2.693 -26.095 1.00 0.00 H new ATOM 0 HE1 MET A 81 14.201 -1.398 -23.432 1.00 0.00 H new ATOM 0 HE2 MET A 81 12.814 -2.479 -23.705 1.00 0.00 H new ATOM 0 HE3 MET A 81 14.187 -2.489 -24.837 1.00 0.00 H new ATOM 1292 N ARG A 82 13.729 -2.816 -29.545 1.00 0.00 N ATOM 1293 CA ARG A 82 15.086 -3.436 -29.584 1.00 0.00 C ATOM 1294 C ARG A 82 16.114 -2.409 -29.095 1.00 0.00 C ATOM 1295 O ARG A 82 15.953 -1.209 -29.311 1.00 0.00 O ATOM 1296 CB ARG A 82 15.422 -3.857 -31.017 1.00 0.00 C ATOM 1297 CG ARG A 82 14.461 -4.960 -31.463 1.00 0.00 C ATOM 1298 CD ARG A 82 15.164 -5.873 -32.470 1.00 0.00 C ATOM 1299 NE ARG A 82 14.560 -7.234 -32.412 1.00 0.00 N ATOM 1300 CZ ARG A 82 13.563 -7.539 -33.197 1.00 0.00 C ATOM 1301 NH1 ARG A 82 13.679 -7.386 -34.487 1.00 0.00 N ATOM 1302 NH2 ARG A 82 12.450 -7.996 -32.691 1.00 0.00 N ATOM 0 H ARG A 82 13.494 -2.234 -30.349 1.00 0.00 H new ATOM 0 HA ARG A 82 15.107 -4.316 -28.942 1.00 0.00 H new ATOM 0 HB2 ARG A 82 15.345 -3.000 -31.687 1.00 0.00 H new ATOM 0 HB3 ARG A 82 16.451 -4.213 -31.071 1.00 0.00 H new ATOM 0 HG2 ARG A 82 14.130 -5.539 -30.601 1.00 0.00 H new ATOM 0 HG3 ARG A 82 13.571 -4.521 -31.914 1.00 0.00 H new ATOM 0 HD2 ARG A 82 15.069 -5.464 -33.476 1.00 0.00 H new ATOM 0 HD3 ARG A 82 16.230 -5.926 -32.247 1.00 0.00 H new ATOM 0 HE ARG A 82 14.926 -7.927 -31.759 1.00 0.00 H new ATOM 0 HH11 ARG A 82 14.549 -7.028 -34.882 1.00 0.00 H new ATOM 0 HH12 ARG A 82 12.900 -7.624 -35.101 1.00 0.00 H new ATOM 0 HH21 ARG A 82 12.359 -8.115 -31.682 1.00 0.00 H new ATOM 0 HH22 ARG A 82 11.671 -8.234 -33.305 1.00 0.00 H new ATOM 1303 N ILE A 83 17.163 -2.844 -28.431 1.00 0.00 N ATOM 1304 CA ILE A 83 18.174 -1.869 -27.932 1.00 0.00 C ATOM 1305 C ILE A 83 19.470 -1.978 -28.750 1.00 0.00 C ATOM 1306 O ILE A 83 19.947 -3.074 -29.040 1.00 0.00 O ATOM 1307 CB ILE A 83 18.484 -2.155 -26.460 1.00 0.00 C ATOM 1308 CG1 ILE A 83 17.187 -2.111 -25.647 1.00 0.00 C ATOM 1309 CG2 ILE A 83 19.455 -1.098 -25.928 1.00 0.00 C ATOM 1310 CD1 ILE A 83 17.476 -2.506 -24.196 1.00 0.00 C ATOM 0 H ILE A 83 17.356 -3.823 -28.218 1.00 0.00 H new ATOM 0 HA ILE A 83 17.768 -0.863 -28.036 1.00 0.00 H new ATOM 0 HB ILE A 83 18.936 -3.143 -26.370 1.00 0.00 H new ATOM 0 HG12 ILE A 83 16.757 -1.110 -25.683 1.00 0.00 H new ATOM 0 HG13 ILE A 83 16.452 -2.789 -26.080 1.00 0.00 H new ATOM 0 HG21 ILE A 83 19.676 -1.301 -24.880 1.00 0.00 H new ATOM 0 HG22 ILE A 83 20.379 -1.129 -26.506 1.00 0.00 H new ATOM 0 HG23 ILE A 83 19.003 -0.110 -26.018 1.00 0.00 H new ATOM 0 HD11 ILE A 83 16.552 -2.474 -23.619 1.00 0.00 H new ATOM 0 HD12 ILE A 83 17.886 -3.516 -24.169 1.00 0.00 H new ATOM 0 HD13 ILE A 83 18.196 -1.810 -23.766 1.00 0.00 H new ATOM 1311 N GLN A 84 20.063 -0.860 -29.108 1.00 0.00 N ATOM 1312 CA GLN A 84 21.335 -0.898 -29.879 1.00 0.00 C ATOM 1313 C GLN A 84 22.392 -0.115 -29.091 1.00 0.00 C ATOM 1314 O GLN A 84 22.113 0.970 -28.590 1.00 0.00 O ATOM 1315 CB GLN A 84 21.136 -0.244 -31.249 1.00 0.00 C ATOM 1316 CG GLN A 84 19.933 -0.874 -31.957 1.00 0.00 C ATOM 1317 CD GLN A 84 19.427 0.080 -33.046 1.00 0.00 C ATOM 1318 OE1 GLN A 84 19.025 1.286 -32.726 1.00 0.00 O flip ATOM 1319 NE2 GLN A 84 19.395 -0.280 -34.221 1.00 0.00 N flip ATOM 0 H GLN A 84 19.715 0.075 -28.896 1.00 0.00 H new ATOM 0 HA GLN A 84 21.652 -1.931 -30.026 1.00 0.00 H new ATOM 0 HB2 GLN A 84 20.979 0.828 -31.131 1.00 0.00 H new ATOM 0 HB3 GLN A 84 22.033 -0.370 -31.856 1.00 0.00 H new ATOM 0 HG2 GLN A 84 20.216 -1.830 -32.398 1.00 0.00 H new ATOM 0 HG3 GLN A 84 19.139 -1.077 -31.238 1.00 0.00 H new ATOM 0 HE21 GLN A 84 19.707 -1.217 -34.476 1.00 0.00 H new ATOM 0 HE22 GLN A 84 19.057 0.359 -34.941 1.00 0.00 H new ATOM 1320 N TYR A 85 23.596 -0.632 -28.956 1.00 0.00 N ATOM 1321 CA TYR A 85 24.648 0.112 -28.177 1.00 0.00 C ATOM 1322 C TYR A 85 24.739 1.569 -28.672 1.00 0.00 C ATOM 1323 O TYR A 85 24.344 1.877 -29.795 1.00 0.00 O ATOM 1324 CB TYR A 85 26.014 -0.569 -28.349 1.00 0.00 C ATOM 1325 CG TYR A 85 26.355 -1.366 -27.108 1.00 0.00 C ATOM 1326 CD1 TYR A 85 26.415 -0.736 -25.857 1.00 0.00 C ATOM 1327 CD2 TYR A 85 26.628 -2.736 -27.212 1.00 0.00 C ATOM 1328 CE1 TYR A 85 26.749 -1.472 -24.721 1.00 0.00 C ATOM 1329 CE2 TYR A 85 26.958 -3.473 -26.067 1.00 0.00 C ATOM 1330 CZ TYR A 85 27.018 -2.839 -24.824 1.00 0.00 C ATOM 1331 OH TYR A 85 27.353 -3.559 -23.700 1.00 0.00 O ATOM 0 H TYR A 85 23.894 -1.526 -29.346 1.00 0.00 H new ATOM 0 HA TYR A 85 24.371 0.103 -27.123 1.00 0.00 H new ATOM 0 HB2 TYR A 85 25.995 -1.225 -29.219 1.00 0.00 H new ATOM 0 HB3 TYR A 85 26.783 0.181 -28.532 1.00 0.00 H new ATOM 0 HD1 TYR A 85 26.202 0.320 -25.773 1.00 0.00 H new ATOM 0 HD2 TYR A 85 26.584 -3.224 -28.174 1.00 0.00 H new ATOM 0 HE1 TYR A 85 26.800 -0.984 -23.759 1.00 0.00 H new ATOM 0 HE2 TYR A 85 27.166 -4.530 -26.145 1.00 0.00 H new ATOM 0 HH TYR A 85 27.936 -3.019 -23.127 1.00 0.00 H new ATOM 1332 N ALA A 86 25.246 2.474 -27.859 1.00 0.00 N ATOM 1333 CA ALA A 86 25.345 3.902 -28.305 1.00 0.00 C ATOM 1334 C ALA A 86 26.501 4.053 -29.304 1.00 0.00 C ATOM 1335 O ALA A 86 27.302 3.137 -29.482 1.00 0.00 O ATOM 1336 CB ALA A 86 25.599 4.821 -27.104 1.00 0.00 C ATOM 0 H ALA A 86 25.591 2.286 -26.918 1.00 0.00 H new ATOM 0 HA ALA A 86 24.405 4.183 -28.779 1.00 0.00 H new ATOM 0 HB1 ALA A 86 25.668 5.854 -27.445 1.00 0.00 H new ATOM 0 HB2 ALA A 86 24.777 4.727 -26.394 1.00 0.00 H new ATOM 0 HB3 ALA A 86 26.532 4.536 -26.618 1.00 0.00 H new ATOM 1337 N LYS A 87 26.611 5.190 -29.958 1.00 0.00 N ATOM 1338 CA LYS A 87 27.724 5.381 -30.935 1.00 0.00 C ATOM 1339 C LYS A 87 28.929 6.021 -30.228 1.00 0.00 C ATOM 1340 O LYS A 87 30.075 5.662 -30.494 1.00 0.00 O ATOM 1341 CB LYS A 87 27.264 6.293 -32.077 1.00 0.00 C ATOM 1342 CG LYS A 87 26.193 5.581 -32.904 1.00 0.00 C ATOM 1343 CD LYS A 87 25.919 6.382 -34.179 1.00 0.00 C ATOM 1344 CE LYS A 87 24.653 5.851 -34.855 1.00 0.00 C ATOM 1345 NZ LYS A 87 24.799 5.957 -36.334 1.00 0.00 N ATOM 0 H LYS A 87 25.981 5.985 -29.855 1.00 0.00 H new ATOM 0 HA LYS A 87 28.011 4.411 -31.340 1.00 0.00 H new ATOM 0 HB2 LYS A 87 26.867 7.225 -31.674 1.00 0.00 H new ATOM 0 HB3 LYS A 87 28.112 6.555 -32.710 1.00 0.00 H new ATOM 0 HG2 LYS A 87 26.524 4.574 -33.158 1.00 0.00 H new ATOM 0 HG3 LYS A 87 25.277 5.478 -32.322 1.00 0.00 H new ATOM 0 HD2 LYS A 87 25.800 7.438 -33.939 1.00 0.00 H new ATOM 0 HD3 LYS A 87 26.767 6.304 -34.859 1.00 0.00 H new ATOM 0 HE2 LYS A 87 24.483 4.813 -34.569 1.00 0.00 H new ATOM 0 HE3 LYS A 87 23.784 6.420 -34.523 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 23.939 5.596 -36.794 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 24.942 6.953 -36.598 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 25.618 5.396 -36.643 1.00 0.00 H new ATOM 1346 N THR A 88 28.704 6.966 -29.339 1.00 0.00 N ATOM 1347 CA THR A 88 29.846 7.615 -28.637 1.00 0.00 C ATOM 1348 C THR A 88 29.753 7.338 -27.129 1.00 0.00 C ATOM 1349 O THR A 88 28.826 6.675 -26.666 1.00 0.00 O ATOM 1350 CB THR A 88 29.800 9.125 -28.884 1.00 0.00 C ATOM 1351 OG1 THR A 88 28.477 9.597 -28.671 1.00 0.00 O ATOM 1352 CG2 THR A 88 30.223 9.418 -30.323 1.00 0.00 C ATOM 0 H THR A 88 27.780 7.309 -29.075 1.00 0.00 H new ATOM 0 HA THR A 88 30.783 7.210 -29.019 1.00 0.00 H new ATOM 0 HB THR A 88 30.480 9.629 -28.197 1.00 0.00 H new ATOM 0 HG1 THR A 88 28.446 10.564 -28.827 1.00 0.00 H new ATOM 0 HG21 THR A 88 30.191 10.493 -30.500 1.00 0.00 H new ATOM 0 HG22 THR A 88 31.237 9.054 -30.485 1.00 0.00 H new ATOM 0 HG23 THR A 88 29.543 8.916 -31.011 1.00 0.00 H new ATOM 1353 N ASP A 89 30.691 7.833 -26.347 1.00 0.00 N ATOM 1354 CA ASP A 89 30.635 7.588 -24.872 1.00 0.00 C ATOM 1355 C ASP A 89 29.813 8.701 -24.204 1.00 0.00 C ATOM 1356 O ASP A 89 29.267 9.569 -24.882 1.00 0.00 O ATOM 1357 CB ASP A 89 32.052 7.581 -24.288 1.00 0.00 C ATOM 1358 CG ASP A 89 32.932 6.624 -25.095 1.00 0.00 C ATOM 1359 OD1 ASP A 89 32.788 5.425 -24.916 1.00 0.00 O ATOM 1360 OD2 ASP A 89 33.734 7.105 -25.877 1.00 0.00 O ATOM 0 H ASP A 89 31.483 8.390 -26.667 1.00 0.00 H new ATOM 0 HA ASP A 89 30.168 6.621 -24.686 1.00 0.00 H new ATOM 0 HB2 ASP A 89 32.472 8.587 -24.313 1.00 0.00 H new ATOM 0 HB3 ASP A 89 32.025 7.273 -23.243 1.00 0.00 H new ATOM 1361 N SER A 90 29.709 8.699 -22.892 1.00 0.00 N ATOM 1362 CA SER A 90 28.916 9.764 -22.208 1.00 0.00 C ATOM 1363 C SER A 90 29.851 10.900 -21.763 1.00 0.00 C ATOM 1364 O SER A 90 31.014 10.668 -21.437 1.00 0.00 O ATOM 1365 CB SER A 90 28.203 9.174 -20.986 1.00 0.00 C ATOM 1366 OG SER A 90 26.799 9.341 -21.136 1.00 0.00 O ATOM 0 H SER A 90 30.137 8.010 -22.274 1.00 0.00 H new ATOM 0 HA SER A 90 28.173 10.159 -22.901 1.00 0.00 H new ATOM 0 HB2 SER A 90 28.446 8.116 -20.884 1.00 0.00 H new ATOM 0 HB3 SER A 90 28.545 9.669 -20.077 1.00 0.00 H new ATOM 0 HG SER A 90 26.478 10.005 -20.491 1.00 0.00 H new ATOM 1367 N ASP A 91 29.370 12.125 -21.740 1.00 0.00 N ATOM 1368 CA ASP A 91 30.244 13.262 -21.311 1.00 0.00 C ATOM 1369 C ASP A 91 30.563 13.165 -19.809 1.00 0.00 C ATOM 1370 O ASP A 91 31.591 13.674 -19.363 1.00 0.00 O ATOM 1371 CB ASP A 91 29.553 14.603 -21.596 1.00 0.00 C ATOM 1372 CG ASP A 91 29.841 15.031 -23.037 1.00 0.00 C ATOM 1373 OD1 ASP A 91 29.071 14.663 -23.908 1.00 0.00 O ATOM 1374 OD2 ASP A 91 30.827 15.719 -23.243 1.00 0.00 O ATOM 0 H ASP A 91 28.417 12.382 -21.998 1.00 0.00 H new ATOM 0 HA ASP A 91 31.173 13.205 -21.878 1.00 0.00 H new ATOM 0 HB2 ASP A 91 28.478 14.510 -21.441 1.00 0.00 H new ATOM 0 HB3 ASP A 91 29.911 15.363 -20.901 1.00 0.00 H new ATOM 1375 N ILE A 92 29.723 12.535 -19.007 1.00 0.00 N ATOM 1376 CA ILE A 92 30.038 12.438 -17.551 1.00 0.00 C ATOM 1377 C ILE A 92 31.279 11.544 -17.363 1.00 0.00 C ATOM 1378 O ILE A 92 32.139 11.841 -16.541 1.00 0.00 O ATOM 1379 CB ILE A 92 28.833 11.869 -16.779 1.00 0.00 C ATOM 1380 CG1 ILE A 92 28.571 10.413 -17.190 1.00 0.00 C ATOM 1381 CG2 ILE A 92 27.595 12.714 -17.087 1.00 0.00 C ATOM 1382 CD1 ILE A 92 27.425 9.832 -16.354 1.00 0.00 C ATOM 0 H ILE A 92 28.851 12.094 -19.299 1.00 0.00 H new ATOM 0 HA ILE A 92 30.249 13.432 -17.156 1.00 0.00 H new ATOM 0 HB ILE A 92 29.050 11.898 -15.711 1.00 0.00 H new ATOM 0 HG12 ILE A 92 28.320 10.365 -18.250 1.00 0.00 H new ATOM 0 HG13 ILE A 92 29.473 9.818 -17.049 1.00 0.00 H new ATOM 0 HG21 ILE A 92 26.738 12.316 -16.543 1.00 0.00 H new ATOM 0 HG22 ILE A 92 27.773 13.745 -16.780 1.00 0.00 H new ATOM 0 HG23 ILE A 92 27.391 12.684 -18.157 1.00 0.00 H new ATOM 0 HD11 ILE A 92 27.245 8.799 -16.651 1.00 0.00 H new ATOM 0 HD12 ILE A 92 27.692 9.864 -15.298 1.00 0.00 H new ATOM 0 HD13 ILE A 92 26.521 10.419 -16.517 1.00 0.00 H new ATOM 1383 N ILE A 93 31.405 10.468 -18.122 1.00 0.00 N ATOM 1384 CA ILE A 93 32.618 9.589 -17.977 1.00 0.00 C ATOM 1385 C ILE A 93 33.882 10.372 -18.397 1.00 0.00 C ATOM 1386 O ILE A 93 34.990 10.019 -17.994 1.00 0.00 O ATOM 1387 CB ILE A 93 32.470 8.309 -18.833 1.00 0.00 C ATOM 1388 CG1 ILE A 93 31.410 7.403 -18.201 1.00 0.00 C ATOM 1389 CG2 ILE A 93 33.798 7.538 -18.890 1.00 0.00 C ATOM 1390 CD1 ILE A 93 30.040 7.702 -18.808 1.00 0.00 C ATOM 0 H ILE A 93 30.730 10.167 -18.824 1.00 0.00 H new ATOM 0 HA ILE A 93 32.713 9.291 -16.933 1.00 0.00 H new ATOM 0 HB ILE A 93 32.179 8.598 -19.843 1.00 0.00 H new ATOM 0 HG12 ILE A 93 31.669 6.357 -18.364 1.00 0.00 H new ATOM 0 HG13 ILE A 93 31.382 7.560 -17.123 1.00 0.00 H new ATOM 0 HG21 ILE A 93 33.672 6.641 -19.497 1.00 0.00 H new ATOM 0 HG22 ILE A 93 34.567 8.171 -19.333 1.00 0.00 H new ATOM 0 HG23 ILE A 93 34.098 7.254 -17.881 1.00 0.00 H new ATOM 0 HD11 ILE A 93 29.291 7.053 -18.353 1.00 0.00 H new ATOM 0 HD12 ILE A 93 29.779 8.744 -18.622 1.00 0.00 H new ATOM 0 HD13 ILE A 93 30.071 7.522 -19.883 1.00 0.00 H new