USER MOD reduce.3.24.130724 H: found=0, std=0, add=709, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 710 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 82 CYS SG : rot 160:sc= -1.86 USER MOD Set 1.2: A 102 GLN :FLIP amide:sc= -3.51 F(o=-6.7!,f=-5.4) USER MOD Set 2.1: A 50 GLN : amide:sc= 0.761 K(o=0.9,f=-0.44) USER MOD Set 2.2: A 56 THR OG1 : rot 159:sc= 0.136 USER MOD Set 3.1: A 49 GLN : amide:sc= 0.923 K(o=2.2,f=-2.7) USER MOD Set 3.2: A 59 THR OG1 : rot -91:sc= 1.28 USER MOD Set 4.1: A 45 HIS : no HD1:sc= -6.56! C(o=-19!,f=-21!) USER MOD Set 4.2: A 124 HIS : no HE2:sc= -12! C(o=-19!,f=-25!) USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 ASN : amide:sc= -0.478 X(o=-0.48,f=-0.46) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 THR OG1 : rot 63:sc= 0.327 USER MOD Single : A 61 GLN : amide:sc= -0.416 X(o=-0.42,f=-0.17) USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 LYS NZ :NH3+ 144:sc= -0.399 (180deg=-1.23!) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 LYS NZ :NH3+ 152:sc= 1.29 (180deg=-0.0944) USER MOD Single : A 83 ASN : amide:sc= -0.529 X(o=-0.53,f=-0.12) USER MOD Single : A 85 THR OG1 : rot -22:sc= 0.734 USER MOD Single : A 89 HIS : no HD1:sc= -2.26! C(o=-2.3!,f=-3.7!) USER MOD Single : A 92 TYR OH : rot 180:sc= 0 USER MOD Single : A 97 GLN : amide:sc= -3.48! C(o=-3.5!,f=-3.2!) USER MOD Single : A 99 GLN : amide:sc= -0.381 X(o=-0.38,f=-0.51) USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 ASN : amide:sc= -0.613 X(o=-0.61,f=-0.12) USER MOD Single : A 107 CYS SG : rot -8:sc= -0.584 USER MOD Single : A 108 GLN : amide:sc= -0.337 X(o=-0.34,f=0) USER MOD Single : A 117 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 120 GLN :FLIP amide:sc= -3.85! C(o=-5.3!,f=-3.9!) USER MOD Single : A 122 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 606 N ASP A 42 0.109 -12.316 -12.664 1.00 0.00 N ATOM 607 CA ASP A 42 -0.392 -11.829 -11.382 1.00 0.00 C ATOM 608 C ASP A 42 0.226 -10.480 -11.027 1.00 0.00 C ATOM 609 O ASP A 42 0.922 -10.347 -10.019 1.00 0.00 O ATOM 610 CB ASP A 42 -0.104 -12.851 -10.277 1.00 0.00 C ATOM 611 CG ASP A 42 -1.347 -13.609 -9.855 1.00 0.00 C ATOM 612 OD1 ASP A 42 -2.234 -13.819 -10.708 1.00 0.00 O ATOM 613 OD2 ASP A 42 -1.434 -13.992 -8.669 1.00 0.00 O ATOM 0 HA ASP A 42 -1.470 -11.695 -11.469 1.00 0.00 H new ATOM 0 HB2 ASP A 42 0.649 -13.558 -10.626 1.00 0.00 H new ATOM 0 HB3 ASP A 42 0.317 -12.338 -9.412 1.00 0.00 H new ATOM 618 N TYR A 43 -0.030 -9.482 -11.862 1.00 0.00 N ATOM 619 CA TYR A 43 0.503 -8.146 -11.634 1.00 0.00 C ATOM 620 C TYR A 43 -0.033 -7.561 -10.333 1.00 0.00 C ATOM 621 O TYR A 43 -0.995 -8.073 -9.759 1.00 0.00 O ATOM 622 CB TYR A 43 0.148 -7.221 -12.800 1.00 0.00 C ATOM 623 CG TYR A 43 0.698 -7.671 -14.137 1.00 0.00 C ATOM 624 CD1 TYR A 43 1.789 -8.530 -14.217 1.00 0.00 C ATOM 625 CD2 TYR A 43 0.124 -7.231 -15.322 1.00 0.00 C ATOM 626 CE1 TYR A 43 2.290 -8.935 -15.439 1.00 0.00 C ATOM 627 CE2 TYR A 43 0.619 -7.632 -16.547 1.00 0.00 C ATOM 628 CZ TYR A 43 1.701 -8.483 -16.602 1.00 0.00 C ATOM 629 OH TYR A 43 2.196 -8.885 -17.821 1.00 0.00 O ATOM 0 H TYR A 43 -0.602 -9.572 -12.702 1.00 0.00 H new ATOM 0 HA TYR A 43 1.587 -8.227 -11.560 1.00 0.00 H new ATOM 0 HB2 TYR A 43 -0.937 -7.146 -12.873 1.00 0.00 H new ATOM 0 HB3 TYR A 43 0.523 -6.221 -12.583 1.00 0.00 H new ATOM 0 HD1 TYR A 43 2.252 -8.886 -13.309 1.00 0.00 H new ATOM 0 HD2 TYR A 43 -0.724 -6.564 -15.285 1.00 0.00 H new ATOM 0 HE1 TYR A 43 3.138 -9.602 -15.484 1.00 0.00 H new ATOM 0 HE2 TYR A 43 0.160 -7.280 -17.459 1.00 0.00 H new ATOM 0 HH TYR A 43 1.668 -8.478 -18.539 1.00 0.00 H new ATOM 639 N ILE A 44 0.585 -6.475 -9.881 1.00 0.00 N ATOM 640 CA ILE A 44 0.160 -5.808 -8.659 1.00 0.00 C ATOM 641 C ILE A 44 -0.540 -4.498 -9.012 1.00 0.00 C ATOM 642 O ILE A 44 0.045 -3.417 -8.951 1.00 0.00 O ATOM 643 CB ILE A 44 1.352 -5.556 -7.699 1.00 0.00 C ATOM 644 CG1 ILE A 44 1.748 -6.844 -6.953 1.00 0.00 C ATOM 645 CG2 ILE A 44 1.016 -4.464 -6.691 1.00 0.00 C ATOM 646 CD1 ILE A 44 1.244 -8.127 -7.587 1.00 0.00 C ATOM 0 H ILE A 44 1.382 -6.039 -10.344 1.00 0.00 H new ATOM 0 HA ILE A 44 -0.538 -6.460 -8.135 1.00 0.00 H new ATOM 0 HB ILE A 44 2.196 -5.231 -8.307 1.00 0.00 H new ATOM 0 HG12 ILE A 44 2.835 -6.890 -6.888 1.00 0.00 H new ATOM 0 HG13 ILE A 44 1.370 -6.787 -5.932 1.00 0.00 H new ATOM 0 HG21 ILE A 44 1.867 -4.306 -6.029 1.00 0.00 H new ATOM 0 HG22 ILE A 44 0.790 -3.538 -7.220 1.00 0.00 H new ATOM 0 HG23 ILE A 44 0.150 -4.766 -6.102 1.00 0.00 H new ATOM 0 HD11 ILE A 44 1.572 -8.980 -6.993 1.00 0.00 H new ATOM 0 HD12 ILE A 44 0.155 -8.110 -7.627 1.00 0.00 H new ATOM 0 HD13 ILE A 44 1.643 -8.215 -8.598 1.00 0.00 H new ATOM 658 N HIS A 45 -1.798 -4.627 -9.410 1.00 0.00 N ATOM 659 CA HIS A 45 -2.615 -3.490 -9.813 1.00 0.00 C ATOM 660 C HIS A 45 -2.819 -2.500 -8.670 1.00 0.00 C ATOM 661 O HIS A 45 -3.490 -2.804 -7.686 1.00 0.00 O ATOM 662 CB HIS A 45 -3.977 -3.995 -10.293 1.00 0.00 C ATOM 663 CG HIS A 45 -4.386 -3.483 -11.635 1.00 0.00 C ATOM 664 ND1 HIS A 45 -4.157 -4.174 -12.806 1.00 0.00 N ATOM 665 CD2 HIS A 45 -5.042 -2.353 -11.989 1.00 0.00 C ATOM 666 CE1 HIS A 45 -4.652 -3.492 -13.821 1.00 0.00 C ATOM 667 NE2 HIS A 45 -5.198 -2.384 -13.353 1.00 0.00 N ATOM 0 H HIS A 45 -2.282 -5.523 -9.463 1.00 0.00 H new ATOM 0 HA HIS A 45 -2.093 -2.969 -10.616 1.00 0.00 H new ATOM 0 HB2 HIS A 45 -3.957 -5.084 -10.324 1.00 0.00 H new ATOM 0 HB3 HIS A 45 -4.735 -3.711 -9.563 1.00 0.00 H new ATOM 0 HD2 HIS A 45 -5.380 -1.573 -11.323 1.00 0.00 H new ATOM 0 HE1 HIS A 45 -4.617 -3.789 -14.859 1.00 0.00 H new ATOM 0 HE2 HIS A 45 -5.660 -1.668 -13.913 1.00 0.00 H new ATOM 676 N ILE A 46 -2.256 -1.309 -8.814 1.00 0.00 N ATOM 677 CA ILE A 46 -2.408 -0.274 -7.794 1.00 0.00 C ATOM 678 C ILE A 46 -3.818 0.333 -7.850 1.00 0.00 C ATOM 679 O ILE A 46 -4.745 -0.206 -7.247 1.00 0.00 O ATOM 680 CB ILE A 46 -1.344 0.832 -7.937 1.00 0.00 C ATOM 681 CG1 ILE A 46 0.058 0.216 -7.992 1.00 0.00 C ATOM 682 CG2 ILE A 46 -1.454 1.830 -6.794 1.00 0.00 C ATOM 683 CD1 ILE A 46 0.541 -0.351 -6.672 1.00 0.00 C ATOM 0 H ILE A 46 -1.694 -1.034 -9.619 1.00 0.00 H new ATOM 0 HA ILE A 46 -2.263 -0.748 -6.823 1.00 0.00 H new ATOM 0 HB ILE A 46 -1.520 1.367 -8.870 1.00 0.00 H new ATOM 0 HG12 ILE A 46 0.065 -0.577 -8.739 1.00 0.00 H new ATOM 0 HG13 ILE A 46 0.763 0.976 -8.328 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -0.695 2.603 -6.912 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -2.443 2.288 -6.805 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -1.303 1.315 -5.845 1.00 0.00 H new ATOM 0 HD11 ILE A 46 1.540 -0.767 -6.799 1.00 0.00 H new ATOM 0 HD12 ILE A 46 0.570 0.442 -5.924 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -0.140 -1.136 -6.342 1.00 0.00 H new ATOM 695 N ARG A 47 -3.989 1.439 -8.591 1.00 0.00 N ATOM 696 CA ARG A 47 -5.295 2.084 -8.735 1.00 0.00 C ATOM 697 C ARG A 47 -5.642 2.949 -7.526 1.00 0.00 C ATOM 698 O ARG A 47 -5.709 2.465 -6.396 1.00 0.00 O ATOM 699 CB ARG A 47 -6.393 1.037 -8.957 1.00 0.00 C ATOM 700 CG ARG A 47 -7.393 1.422 -10.033 1.00 0.00 C ATOM 701 CD ARG A 47 -8.198 0.220 -10.500 1.00 0.00 C ATOM 702 NE ARG A 47 -9.576 0.578 -10.829 1.00 0.00 N ATOM 703 CZ ARG A 47 -10.572 -0.301 -10.905 1.00 0.00 C ATOM 704 NH1 ARG A 47 -10.349 -1.590 -10.679 1.00 0.00 N ATOM 705 NH2 ARG A 47 -11.796 0.110 -11.210 1.00 0.00 N ATOM 0 H ARG A 47 -3.235 1.903 -9.099 1.00 0.00 H new ATOM 0 HA ARG A 47 -5.235 2.735 -9.607 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -5.929 0.088 -9.227 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -6.925 0.876 -8.019 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -8.068 2.186 -9.647 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -6.866 1.860 -10.881 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -7.719 -0.219 -11.375 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -8.198 -0.542 -9.720 1.00 0.00 H new ATOM 0 HE ARG A 47 -9.787 1.559 -11.011 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -9.410 -1.912 -10.445 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -11.117 -2.259 -10.739 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -11.973 1.099 -11.386 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -12.560 -0.563 -11.269 1.00 0.00 H new ATOM 719 N ILE A 48 -5.875 4.233 -7.784 1.00 0.00 N ATOM 720 CA ILE A 48 -6.234 5.183 -6.735 1.00 0.00 C ATOM 721 C ILE A 48 -7.752 5.371 -6.682 1.00 0.00 C ATOM 722 O ILE A 48 -8.449 5.144 -7.670 1.00 0.00 O ATOM 723 CB ILE A 48 -5.556 6.559 -6.969 1.00 0.00 C ATOM 724 CG1 ILE A 48 -4.098 6.523 -6.508 1.00 0.00 C ATOM 725 CG2 ILE A 48 -6.304 7.678 -6.252 1.00 0.00 C ATOM 726 CD1 ILE A 48 -3.384 7.844 -6.689 1.00 0.00 C ATOM 0 H ILE A 48 -5.821 4.642 -8.717 1.00 0.00 H new ATOM 0 HA ILE A 48 -5.883 4.775 -5.787 1.00 0.00 H new ATOM 0 HB ILE A 48 -5.586 6.764 -8.039 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -4.063 6.239 -5.456 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -3.567 5.751 -7.064 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -5.802 8.628 -6.437 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -7.327 7.729 -6.625 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -6.318 7.478 -5.181 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -2.354 7.752 -6.343 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -3.389 8.119 -7.744 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -3.893 8.615 -6.111 1.00 0.00 H new ATOM 738 N GLN A 49 -8.251 5.800 -5.528 1.00 0.00 N ATOM 739 CA GLN A 49 -9.679 6.036 -5.352 1.00 0.00 C ATOM 740 C GLN A 49 -9.914 7.283 -4.506 1.00 0.00 C ATOM 741 O GLN A 49 -9.835 7.238 -3.278 1.00 0.00 O ATOM 742 CB GLN A 49 -10.351 4.823 -4.707 1.00 0.00 C ATOM 743 CG GLN A 49 -9.845 4.517 -3.308 1.00 0.00 C ATOM 744 CD GLN A 49 -9.675 3.031 -3.062 1.00 0.00 C ATOM 745 OE1 GLN A 49 -8.704 2.423 -3.514 1.00 0.00 O ATOM 746 NE2 GLN A 49 -10.621 2.438 -2.343 1.00 0.00 N ATOM 0 H GLN A 49 -7.687 5.992 -4.700 1.00 0.00 H new ATOM 0 HA GLN A 49 -10.122 6.194 -6.335 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -11.427 4.994 -4.665 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -10.191 3.951 -5.341 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -8.890 5.019 -3.153 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -10.542 4.925 -2.576 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -11.408 2.981 -1.988 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -10.561 1.439 -2.145 1.00 0.00 H new ATOM 755 N GLN A 50 -10.190 8.398 -5.173 1.00 0.00 N ATOM 756 CA GLN A 50 -10.421 9.663 -4.485 1.00 0.00 C ATOM 757 C GLN A 50 -11.909 9.917 -4.267 1.00 0.00 C ATOM 758 O GLN A 50 -12.698 9.910 -5.212 1.00 0.00 O ATOM 759 CB GLN A 50 -9.802 10.817 -5.279 1.00 0.00 C ATOM 760 CG GLN A 50 -9.007 11.786 -4.421 1.00 0.00 C ATOM 761 CD GLN A 50 -8.238 12.801 -5.241 1.00 0.00 C ATOM 762 OE1 GLN A 50 -8.619 13.125 -6.367 1.00 0.00 O ATOM 763 NE2 GLN A 50 -7.149 13.309 -4.678 1.00 0.00 N ATOM 0 H GLN A 50 -10.259 8.452 -6.189 1.00 0.00 H new ATOM 0 HA GLN A 50 -9.944 9.602 -3.507 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -9.150 10.408 -6.050 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -10.595 11.363 -5.789 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -9.686 12.309 -3.748 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -8.310 11.225 -3.799 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -6.872 13.011 -3.743 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -6.589 13.998 -5.180 1.00 0.00 H new ATOM 772 N ARG A 51 -12.280 10.151 -3.013 1.00 0.00 N ATOM 773 CA ARG A 51 -13.667 10.421 -2.659 1.00 0.00 C ATOM 774 C ARG A 51 -13.852 11.897 -2.327 1.00 0.00 C ATOM 775 O ARG A 51 -13.094 12.465 -1.540 1.00 0.00 O ATOM 776 CB ARG A 51 -14.093 9.554 -1.472 1.00 0.00 C ATOM 777 CG ARG A 51 -15.106 8.482 -1.835 1.00 0.00 C ATOM 778 CD ARG A 51 -14.428 7.236 -2.380 1.00 0.00 C ATOM 779 NE ARG A 51 -15.168 6.021 -2.051 1.00 0.00 N ATOM 780 CZ ARG A 51 -16.342 5.699 -2.590 1.00 0.00 C ATOM 781 NH1 ARG A 51 -16.913 6.499 -3.482 1.00 0.00 N ATOM 782 NH2 ARG A 51 -16.947 4.573 -2.235 1.00 0.00 N ATOM 0 H ARG A 51 -11.636 10.159 -2.222 1.00 0.00 H new ATOM 0 HA ARG A 51 -14.296 10.174 -3.514 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -13.210 9.078 -1.045 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -14.516 10.195 -0.698 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -15.693 8.222 -0.954 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -15.801 8.873 -2.578 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -14.332 7.320 -3.463 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -13.418 7.166 -1.975 1.00 0.00 H new ATOM 0 HE ARG A 51 -14.762 5.381 -1.368 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -16.452 7.366 -3.758 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -17.813 6.247 -3.891 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -16.513 3.955 -1.550 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -17.846 4.325 -2.647 1.00 0.00 H new ATOM 796 N ASN A 52 -14.857 12.517 -2.937 1.00 0.00 N ATOM 797 CA ASN A 52 -15.132 13.932 -2.710 1.00 0.00 C ATOM 798 C ASN A 52 -13.996 14.800 -3.244 1.00 0.00 C ATOM 799 O ASN A 52 -13.836 15.951 -2.838 1.00 0.00 O ATOM 800 CB ASN A 52 -15.343 14.204 -1.219 1.00 0.00 C ATOM 801 CG ASN A 52 -15.929 15.579 -0.960 1.00 0.00 C ATOM 802 OD1 ASN A 52 -17.062 15.865 -1.345 1.00 0.00 O ATOM 803 ND2 ASN A 52 -15.158 16.438 -0.304 1.00 0.00 N ATOM 0 H ASN A 52 -15.494 12.063 -3.592 1.00 0.00 H new ATOM 0 HA ASN A 52 -16.045 14.188 -3.248 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -16.006 13.445 -0.804 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -14.390 14.114 -0.697 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -15.499 17.377 -0.101 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -14.224 16.158 -0.003 1.00 0.00 H new ATOM 810 N GLY A 53 -13.213 14.241 -4.162 1.00 0.00 N ATOM 811 CA GLY A 53 -12.103 14.974 -4.744 1.00 0.00 C ATOM 812 C GLY A 53 -11.041 15.339 -3.727 1.00 0.00 C ATOM 813 O GLY A 53 -10.563 16.473 -3.703 1.00 0.00 O ATOM 0 H GLY A 53 -13.328 13.291 -4.514 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -11.652 14.374 -5.534 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -12.480 15.884 -5.211 1.00 0.00 H new ATOM 817 N ARG A 54 -10.664 14.378 -2.888 1.00 0.00 N ATOM 818 CA ARG A 54 -9.646 14.616 -1.872 1.00 0.00 C ATOM 819 C ARG A 54 -9.316 13.341 -1.100 1.00 0.00 C ATOM 820 O ARG A 54 -8.161 13.100 -0.750 1.00 0.00 O ATOM 821 CB ARG A 54 -10.103 15.720 -0.911 1.00 0.00 C ATOM 822 CG ARG A 54 -11.196 15.289 0.054 1.00 0.00 C ATOM 823 CD ARG A 54 -10.619 14.854 1.392 1.00 0.00 C ATOM 824 NE ARG A 54 -9.719 15.860 1.952 1.00 0.00 N ATOM 825 CZ ARG A 54 -10.128 17.024 2.453 1.00 0.00 C ATOM 826 NH1 ARG A 54 -11.419 17.332 2.468 1.00 0.00 N ATOM 827 NH2 ARG A 54 -9.242 17.883 2.940 1.00 0.00 N ATOM 0 H ARG A 54 -11.046 13.432 -2.892 1.00 0.00 H new ATOM 0 HA ARG A 54 -8.737 14.940 -2.379 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -9.243 16.067 -0.338 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -10.461 16.569 -1.494 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -11.893 16.113 0.208 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -11.765 14.468 -0.382 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -11.432 14.664 2.093 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -10.080 13.915 1.267 1.00 0.00 H new ATOM 0 HE ARG A 54 -8.719 15.659 1.960 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -12.104 16.675 2.094 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -11.726 18.225 2.853 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -8.249 17.652 2.930 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -9.554 18.775 3.324 1.00 0.00 H new ATOM 841 N LYS A 55 -10.332 12.526 -0.836 1.00 0.00 N ATOM 842 CA LYS A 55 -10.137 11.279 -0.106 1.00 0.00 C ATOM 843 C LYS A 55 -9.478 10.229 -0.996 1.00 0.00 C ATOM 844 O LYS A 55 -10.087 9.214 -1.335 1.00 0.00 O ATOM 845 CB LYS A 55 -11.474 10.756 0.423 1.00 0.00 C ATOM 846 CG LYS A 55 -12.048 11.591 1.556 1.00 0.00 C ATOM 847 CD LYS A 55 -11.196 11.488 2.811 1.00 0.00 C ATOM 848 CE LYS A 55 -11.196 10.075 3.374 1.00 0.00 C ATOM 849 NZ LYS A 55 -11.781 10.023 4.742 1.00 0.00 N ATOM 0 H LYS A 55 -11.296 12.706 -1.116 1.00 0.00 H new ATOM 0 HA LYS A 55 -9.478 11.479 0.739 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -12.193 10.727 -0.396 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -11.343 9.731 0.769 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -12.114 12.633 1.244 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -13.063 11.260 1.776 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -10.174 11.789 2.583 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -11.572 12.180 3.564 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -11.762 9.420 2.712 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -10.175 9.695 3.401 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -11.763 9.043 5.090 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -11.226 10.628 5.380 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -12.764 10.362 4.712 1.00 0.00 H new ATOM 863 N THR A 56 -8.230 10.484 -1.372 1.00 0.00 N ATOM 864 CA THR A 56 -7.483 9.567 -2.225 1.00 0.00 C ATOM 865 C THR A 56 -7.000 8.356 -1.434 1.00 0.00 C ATOM 866 O THR A 56 -6.504 8.489 -0.316 1.00 0.00 O ATOM 867 CB THR A 56 -6.296 10.293 -2.862 1.00 0.00 C ATOM 868 OG1 THR A 56 -6.434 11.697 -2.730 1.00 0.00 O ATOM 869 CG2 THR A 56 -6.126 9.987 -4.333 1.00 0.00 C ATOM 0 H THR A 56 -7.713 11.320 -1.099 1.00 0.00 H new ATOM 0 HA THR A 56 -8.148 9.213 -3.013 1.00 0.00 H new ATOM 0 HB THR A 56 -5.418 9.931 -2.327 1.00 0.00 H new ATOM 0 HG1 THR A 56 -5.556 12.122 -2.825 1.00 0.00 H new ATOM 0 HG21 THR A 56 -5.267 10.534 -4.722 1.00 0.00 H new ATOM 0 HG22 THR A 56 -5.965 8.917 -4.466 1.00 0.00 H new ATOM 0 HG23 THR A 56 -7.023 10.289 -4.874 1.00 0.00 H new ATOM 877 N LEU A 57 -7.153 7.173 -2.022 1.00 0.00 N ATOM 878 CA LEU A 57 -6.736 5.937 -1.372 1.00 0.00 C ATOM 879 C LEU A 57 -6.113 4.973 -2.381 1.00 0.00 C ATOM 880 O LEU A 57 -6.822 4.296 -3.125 1.00 0.00 O ATOM 881 CB LEU A 57 -7.932 5.268 -0.690 1.00 0.00 C ATOM 882 CG LEU A 57 -8.184 5.704 0.753 1.00 0.00 C ATOM 883 CD1 LEU A 57 -9.663 5.596 1.092 1.00 0.00 C ATOM 884 CD2 LEU A 57 -7.353 4.868 1.716 1.00 0.00 C ATOM 0 H LEU A 57 -7.563 7.045 -2.947 1.00 0.00 H new ATOM 0 HA LEU A 57 -5.986 6.187 -0.621 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -8.827 5.474 -1.277 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -7.782 4.188 -0.706 1.00 0.00 H new ATOM 0 HG LEU A 57 -7.883 6.747 0.855 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -9.824 5.910 2.123 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -10.237 6.237 0.423 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -9.989 4.563 0.973 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -7.545 5.192 2.739 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -7.623 3.817 1.612 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -6.295 4.995 1.488 1.00 0.00 H new ATOM 896 N THR A 58 -4.786 4.915 -2.403 1.00 0.00 N ATOM 897 CA THR A 58 -4.076 4.031 -3.323 1.00 0.00 C ATOM 898 C THR A 58 -4.152 2.581 -2.855 1.00 0.00 C ATOM 899 O THR A 58 -3.630 2.234 -1.798 1.00 0.00 O ATOM 900 CB THR A 58 -2.616 4.465 -3.451 1.00 0.00 C ATOM 901 OG1 THR A 58 -2.528 5.811 -3.884 1.00 0.00 O ATOM 902 CG2 THR A 58 -1.821 3.618 -4.420 1.00 0.00 C ATOM 0 H THR A 58 -4.181 5.468 -1.796 1.00 0.00 H new ATOM 0 HA THR A 58 -4.556 4.101 -4.299 1.00 0.00 H new ATOM 0 HB THR A 58 -2.191 4.342 -2.455 1.00 0.00 H new ATOM 0 HG1 THR A 58 -2.931 6.398 -3.211 1.00 0.00 H new ATOM 0 HG21 THR A 58 -0.794 3.981 -4.462 1.00 0.00 H new ATOM 0 HG22 THR A 58 -1.826 2.581 -4.085 1.00 0.00 H new ATOM 0 HG23 THR A 58 -2.269 3.682 -5.411 1.00 0.00 H new ATOM 910 N THR A 59 -4.807 1.737 -3.646 1.00 0.00 N ATOM 911 CA THR A 59 -4.948 0.327 -3.299 1.00 0.00 C ATOM 912 C THR A 59 -3.930 -0.532 -4.044 1.00 0.00 C ATOM 913 O THR A 59 -3.378 -0.115 -5.061 1.00 0.00 O ATOM 914 CB THR A 59 -6.364 -0.166 -3.609 1.00 0.00 C ATOM 915 OG1 THR A 59 -6.993 0.676 -4.558 1.00 0.00 O ATOM 916 CG2 THR A 59 -7.255 -0.230 -2.388 1.00 0.00 C ATOM 0 H THR A 59 -5.247 2.003 -4.527 1.00 0.00 H new ATOM 0 HA THR A 59 -4.762 0.233 -2.229 1.00 0.00 H new ATOM 0 HB THR A 59 -6.239 -1.175 -4.001 1.00 0.00 H new ATOM 0 HG1 THR A 59 -7.480 1.387 -4.092 1.00 0.00 H new ATOM 0 HG21 THR A 59 -8.244 -0.587 -2.677 1.00 0.00 H new ATOM 0 HG22 THR A 59 -6.822 -0.913 -1.657 1.00 0.00 H new ATOM 0 HG23 THR A 59 -7.342 0.764 -1.949 1.00 0.00 H new ATOM 924 N VAL A 60 -3.699 -1.738 -3.533 1.00 0.00 N ATOM 925 CA VAL A 60 -2.760 -2.669 -4.150 1.00 0.00 C ATOM 926 C VAL A 60 -3.424 -4.021 -4.390 1.00 0.00 C ATOM 927 O VAL A 60 -3.705 -4.761 -3.444 1.00 0.00 O ATOM 928 CB VAL A 60 -1.501 -2.869 -3.282 1.00 0.00 C ATOM 929 CG1 VAL A 60 -0.493 -3.771 -3.984 1.00 0.00 C ATOM 930 CG2 VAL A 60 -0.875 -1.525 -2.945 1.00 0.00 C ATOM 0 H VAL A 60 -4.151 -2.094 -2.691 1.00 0.00 H new ATOM 0 HA VAL A 60 -2.458 -2.234 -5.103 1.00 0.00 H new ATOM 0 HB VAL A 60 -1.798 -3.357 -2.354 1.00 0.00 H new ATOM 0 HG11 VAL A 60 0.386 -3.896 -3.351 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -0.946 -4.744 -4.173 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -0.197 -3.318 -4.930 1.00 0.00 H new ATOM 0 HG21 VAL A 60 0.013 -1.681 -2.332 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -0.595 -1.013 -3.866 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -1.593 -0.917 -2.395 1.00 0.00 H new ATOM 940 N GLN A 61 -3.678 -4.334 -5.660 1.00 0.00 N ATOM 941 CA GLN A 61 -4.314 -5.597 -6.026 1.00 0.00 C ATOM 942 C GLN A 61 -3.278 -6.710 -6.173 1.00 0.00 C ATOM 943 O GLN A 61 -3.197 -7.369 -7.210 1.00 0.00 O ATOM 944 CB GLN A 61 -5.111 -5.437 -7.325 1.00 0.00 C ATOM 945 CG GLN A 61 -6.617 -5.477 -7.123 1.00 0.00 C ATOM 946 CD GLN A 61 -7.283 -4.141 -7.394 1.00 0.00 C ATOM 947 OE1 GLN A 61 -8.386 -4.083 -7.938 1.00 0.00 O ATOM 948 NE2 GLN A 61 -6.615 -3.055 -7.016 1.00 0.00 N ATOM 0 H GLN A 61 -3.453 -3.731 -6.451 1.00 0.00 H new ATOM 0 HA GLN A 61 -4.999 -5.875 -5.225 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -4.841 -4.491 -7.793 1.00 0.00 H new ATOM 0 HB3 GLN A 61 -4.824 -6.229 -8.017 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -7.047 -6.232 -7.781 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -6.834 -5.785 -6.100 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -5.703 -3.147 -6.568 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -7.014 -2.130 -7.174 1.00 0.00 H new ATOM 957 N GLY A 62 -2.490 -6.914 -5.126 1.00 0.00 N ATOM 958 CA GLY A 62 -1.477 -7.943 -5.146 1.00 0.00 C ATOM 959 C GLY A 62 -0.934 -8.216 -3.763 1.00 0.00 C ATOM 960 O GLY A 62 -1.666 -8.138 -2.777 1.00 0.00 O ATOM 0 H GLY A 62 -2.538 -6.379 -4.259 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -1.897 -8.860 -5.560 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -0.663 -7.640 -5.804 1.00 0.00 H new ATOM 964 N ILE A 63 0.352 -8.523 -3.689 1.00 0.00 N ATOM 965 CA ILE A 63 0.999 -8.800 -2.413 1.00 0.00 C ATOM 966 C ILE A 63 0.323 -9.973 -1.703 1.00 0.00 C ATOM 967 O ILE A 63 -0.885 -10.178 -1.822 1.00 0.00 O ATOM 968 CB ILE A 63 0.991 -7.535 -1.512 1.00 0.00 C ATOM 969 CG1 ILE A 63 2.079 -6.547 -1.959 1.00 0.00 C ATOM 970 CG2 ILE A 63 1.182 -7.880 -0.040 1.00 0.00 C ATOM 971 CD1 ILE A 63 2.296 -6.496 -3.455 1.00 0.00 C ATOM 0 H ILE A 63 0.970 -8.587 -4.498 1.00 0.00 H new ATOM 0 HA ILE A 63 2.035 -9.076 -2.609 1.00 0.00 H new ATOM 0 HB ILE A 63 0.011 -7.070 -1.623 1.00 0.00 H new ATOM 0 HG12 ILE A 63 1.814 -5.550 -1.608 1.00 0.00 H new ATOM 0 HG13 ILE A 63 3.018 -6.816 -1.476 1.00 0.00 H new ATOM 0 HG21 ILE A 63 1.170 -6.965 0.553 1.00 0.00 H new ATOM 0 HG22 ILE A 63 0.375 -8.536 0.288 1.00 0.00 H new ATOM 0 HG23 ILE A 63 2.138 -8.386 0.094 1.00 0.00 H new ATOM 0 HD11 ILE A 63 3.080 -5.774 -3.685 1.00 0.00 H new ATOM 0 HD12 ILE A 63 2.594 -7.481 -3.813 1.00 0.00 H new ATOM 0 HD13 ILE A 63 1.371 -6.195 -3.947 1.00 0.00 H new ATOM 983 N ALA A 64 1.116 -10.745 -0.973 1.00 0.00 N ATOM 984 CA ALA A 64 0.604 -11.905 -0.250 1.00 0.00 C ATOM 985 C ALA A 64 0.499 -11.624 1.244 1.00 0.00 C ATOM 986 O ALA A 64 1.195 -10.759 1.777 1.00 0.00 O ATOM 987 CB ALA A 64 1.493 -13.113 -0.499 1.00 0.00 C ATOM 0 H ALA A 64 2.118 -10.590 -0.865 1.00 0.00 H new ATOM 0 HA ALA A 64 -0.398 -12.118 -0.622 1.00 0.00 H new ATOM 0 HB1 ALA A 64 1.101 -13.972 0.046 1.00 0.00 H new ATOM 0 HB2 ALA A 64 1.512 -13.337 -1.566 1.00 0.00 H new ATOM 0 HB3 ALA A 64 2.505 -12.897 -0.156 1.00 0.00 H new ATOM 993 N ASP A 65 -0.379 -12.363 1.917 1.00 0.00 N ATOM 994 CA ASP A 65 -0.579 -12.200 3.352 1.00 0.00 C ATOM 995 C ASP A 65 0.700 -12.507 4.127 1.00 0.00 C ATOM 996 O ASP A 65 0.847 -12.105 5.281 1.00 0.00 O ATOM 997 CB ASP A 65 -1.710 -13.111 3.834 1.00 0.00 C ATOM 998 CG ASP A 65 -2.554 -12.465 4.914 1.00 0.00 C ATOM 999 OD1 ASP A 65 -3.158 -11.406 4.641 1.00 0.00 O ATOM 1000 OD2 ASP A 65 -2.611 -13.016 6.033 1.00 0.00 O ATOM 0 H ASP A 65 -0.964 -13.081 1.490 1.00 0.00 H new ATOM 0 HA ASP A 65 -0.849 -11.160 3.537 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -2.346 -13.374 2.989 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -1.287 -14.040 4.215 1.00 0.00 H new ATOM 1005 N ASP A 66 1.624 -13.221 3.488 1.00 0.00 N ATOM 1006 CA ASP A 66 2.886 -13.579 4.125 1.00 0.00 C ATOM 1007 C ASP A 66 3.984 -12.582 3.762 1.00 0.00 C ATOM 1008 O ASP A 66 5.147 -12.955 3.608 1.00 0.00 O ATOM 1009 CB ASP A 66 3.309 -14.990 3.713 1.00 0.00 C ATOM 1010 CG ASP A 66 2.231 -16.020 3.991 1.00 0.00 C ATOM 1011 OD1 ASP A 66 1.058 -15.759 3.652 1.00 0.00 O ATOM 1012 OD2 ASP A 66 2.562 -17.088 4.550 1.00 0.00 O ATOM 0 H ASP A 66 1.522 -13.562 2.532 1.00 0.00 H new ATOM 0 HA ASP A 66 2.737 -13.552 5.204 1.00 0.00 H new ATOM 0 HB2 ASP A 66 3.551 -14.998 2.650 1.00 0.00 H new ATOM 0 HB3 ASP A 66 4.218 -15.265 4.249 1.00 0.00 H new ATOM 1017 N TYR A 67 3.610 -11.314 3.628 1.00 0.00 N ATOM 1018 CA TYR A 67 4.565 -10.267 3.286 1.00 0.00 C ATOM 1019 C TYR A 67 5.025 -9.522 4.537 1.00 0.00 C ATOM 1020 O TYR A 67 5.364 -8.341 4.478 1.00 0.00 O ATOM 1021 CB TYR A 67 3.943 -9.287 2.287 1.00 0.00 C ATOM 1022 CG TYR A 67 4.130 -9.681 0.838 1.00 0.00 C ATOM 1023 CD1 TYR A 67 4.402 -10.996 0.475 1.00 0.00 C ATOM 1024 CD2 TYR A 67 4.028 -8.734 -0.169 1.00 0.00 C ATOM 1025 CE1 TYR A 67 4.570 -11.350 -0.851 1.00 0.00 C ATOM 1026 CE2 TYR A 67 4.192 -9.079 -1.496 1.00 0.00 C ATOM 1027 CZ TYR A 67 4.464 -10.388 -1.832 1.00 0.00 C ATOM 1028 OH TYR A 67 4.629 -10.736 -3.153 1.00 0.00 O ATOM 0 H TYR A 67 2.652 -10.987 3.751 1.00 0.00 H new ATOM 0 HA TYR A 67 5.435 -10.736 2.826 1.00 0.00 H new ATOM 0 HB2 TYR A 67 2.876 -9.201 2.494 1.00 0.00 H new ATOM 0 HB3 TYR A 67 4.378 -8.300 2.443 1.00 0.00 H new ATOM 0 HD1 TYR A 67 4.483 -11.753 1.241 1.00 0.00 H new ATOM 0 HD2 TYR A 67 3.816 -7.707 0.089 1.00 0.00 H new ATOM 0 HE1 TYR A 67 4.783 -12.375 -1.116 1.00 0.00 H new ATOM 0 HE2 TYR A 67 4.108 -8.327 -2.267 1.00 0.00 H new ATOM 0 HH TYR A 67 4.522 -9.941 -3.716 1.00 0.00 H new ATOM 1038 N ASP A 68 5.033 -10.228 5.669 1.00 0.00 N ATOM 1039 CA ASP A 68 5.451 -9.653 6.949 1.00 0.00 C ATOM 1040 C ASP A 68 4.351 -8.796 7.579 1.00 0.00 C ATOM 1041 O ASP A 68 4.460 -8.403 8.741 1.00 0.00 O ATOM 1042 CB ASP A 68 6.723 -8.824 6.770 1.00 0.00 C ATOM 1043 CG ASP A 68 7.703 -9.006 7.914 1.00 0.00 C ATOM 1044 OD1 ASP A 68 7.571 -10.003 8.655 1.00 0.00 O ATOM 1045 OD2 ASP A 68 8.600 -8.152 8.069 1.00 0.00 O ATOM 0 H ASP A 68 4.752 -11.207 5.725 1.00 0.00 H new ATOM 0 HA ASP A 68 5.653 -10.483 7.627 1.00 0.00 H new ATOM 0 HB2 ASP A 68 7.206 -9.104 5.834 1.00 0.00 H new ATOM 0 HB3 ASP A 68 6.457 -7.770 6.688 1.00 0.00 H new ATOM 1050 N LYS A 69 3.294 -8.513 6.819 1.00 0.00 N ATOM 1051 CA LYS A 69 2.184 -7.706 7.317 1.00 0.00 C ATOM 1052 C LYS A 69 2.656 -6.312 7.728 1.00 0.00 C ATOM 1053 O LYS A 69 2.496 -5.348 6.979 1.00 0.00 O ATOM 1054 CB LYS A 69 1.508 -8.407 8.498 1.00 0.00 C ATOM 1055 CG LYS A 69 0.090 -8.867 8.200 1.00 0.00 C ATOM 1056 CD LYS A 69 -0.654 -9.239 9.473 1.00 0.00 C ATOM 1057 CE LYS A 69 -2.148 -8.986 9.339 1.00 0.00 C ATOM 1058 NZ LYS A 69 -2.954 -10.082 9.942 1.00 0.00 N ATOM 0 H LYS A 69 3.184 -8.831 5.856 1.00 0.00 H new ATOM 0 HA LYS A 69 1.460 -7.592 6.510 1.00 0.00 H new ATOM 0 HB2 LYS A 69 2.107 -9.269 8.790 1.00 0.00 H new ATOM 0 HB3 LYS A 69 1.490 -7.728 9.351 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -0.449 -8.075 7.681 1.00 0.00 H new ATOM 0 HG3 LYS A 69 0.118 -9.726 7.530 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -0.481 -10.290 9.703 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -0.259 -8.661 10.309 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -2.401 -8.042 9.822 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -2.406 -8.884 8.285 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -3.966 -9.871 9.829 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -2.732 -10.979 9.465 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -2.728 -10.163 10.954 1.00 0.00 H new ATOM 1072 N LYS A 70 3.237 -6.212 8.920 1.00 0.00 N ATOM 1073 CA LYS A 70 3.732 -4.937 9.428 1.00 0.00 C ATOM 1074 C LYS A 70 4.680 -4.282 8.428 1.00 0.00 C ATOM 1075 O LYS A 70 4.385 -3.221 7.880 1.00 0.00 O ATOM 1076 CB LYS A 70 4.447 -5.137 10.766 1.00 0.00 C ATOM 1077 CG LYS A 70 3.562 -5.743 11.844 1.00 0.00 C ATOM 1078 CD LYS A 70 4.150 -5.531 13.229 1.00 0.00 C ATOM 1079 CE LYS A 70 3.784 -4.165 13.788 1.00 0.00 C ATOM 1080 NZ LYS A 70 4.935 -3.519 14.478 1.00 0.00 N ATOM 0 H LYS A 70 3.377 -7.000 9.553 1.00 0.00 H new ATOM 0 HA LYS A 70 2.875 -4.279 9.576 1.00 0.00 H new ATOM 0 HB2 LYS A 70 5.313 -5.782 10.613 1.00 0.00 H new ATOM 0 HB3 LYS A 70 4.823 -4.175 11.115 1.00 0.00 H new ATOM 0 HG2 LYS A 70 2.569 -5.295 11.796 1.00 0.00 H new ATOM 0 HG3 LYS A 70 3.439 -6.810 11.659 1.00 0.00 H new ATOM 0 HD2 LYS A 70 3.789 -6.309 13.902 1.00 0.00 H new ATOM 0 HD3 LYS A 70 5.235 -5.628 13.183 1.00 0.00 H new ATOM 0 HE2 LYS A 70 3.439 -3.522 12.978 1.00 0.00 H new ATOM 0 HE3 LYS A 70 2.954 -4.270 14.487 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 4.643 -2.590 14.844 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 5.248 -4.120 15.267 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 5.718 -3.395 13.805 1.00 0.00 H new ATOM 1094 N LYS A 71 5.816 -4.929 8.184 1.00 0.00 N ATOM 1095 CA LYS A 71 6.805 -4.412 7.242 1.00 0.00 C ATOM 1096 C LYS A 71 6.150 -4.001 5.924 1.00 0.00 C ATOM 1097 O LYS A 71 6.675 -3.161 5.194 1.00 0.00 O ATOM 1098 CB LYS A 71 7.887 -5.460 6.981 1.00 0.00 C ATOM 1099 CG LYS A 71 9.194 -4.873 6.471 1.00 0.00 C ATOM 1100 CD LYS A 71 10.180 -5.962 6.077 1.00 0.00 C ATOM 1101 CE LYS A 71 10.420 -5.983 4.576 1.00 0.00 C ATOM 1102 NZ LYS A 71 10.768 -7.345 4.087 1.00 0.00 N ATOM 0 H LYS A 71 6.075 -5.812 8.625 1.00 0.00 H new ATOM 0 HA LYS A 71 7.262 -3.528 7.687 1.00 0.00 H new ATOM 0 HB2 LYS A 71 8.080 -6.008 7.903 1.00 0.00 H new ATOM 0 HB3 LYS A 71 7.514 -6.181 6.254 1.00 0.00 H new ATOM 0 HG2 LYS A 71 8.995 -4.233 5.611 1.00 0.00 H new ATOM 0 HG3 LYS A 71 9.636 -4.243 7.243 1.00 0.00 H new ATOM 0 HD2 LYS A 71 11.126 -5.802 6.595 1.00 0.00 H new ATOM 0 HD3 LYS A 71 9.800 -6.932 6.399 1.00 0.00 H new ATOM 0 HE2 LYS A 71 9.527 -5.630 4.061 1.00 0.00 H new ATOM 0 HE3 LYS A 71 11.225 -5.292 4.328 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 10.924 -7.316 3.059 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 11.635 -7.672 4.559 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 9.989 -8.000 4.301 1.00 0.00 H new ATOM 1116 N LEU A 72 5.000 -4.599 5.624 1.00 0.00 N ATOM 1117 CA LEU A 72 4.280 -4.292 4.396 1.00 0.00 C ATOM 1118 C LEU A 72 3.721 -2.868 4.427 1.00 0.00 C ATOM 1119 O LEU A 72 4.292 -1.958 3.830 1.00 0.00 O ATOM 1120 CB LEU A 72 3.148 -5.304 4.180 1.00 0.00 C ATOM 1121 CG LEU A 72 2.690 -5.479 2.730 1.00 0.00 C ATOM 1122 CD1 LEU A 72 1.393 -6.271 2.675 1.00 0.00 C ATOM 1123 CD2 LEU A 72 2.516 -4.127 2.050 1.00 0.00 C ATOM 0 H LEU A 72 4.549 -5.298 6.215 1.00 0.00 H new ATOM 0 HA LEU A 72 4.981 -4.361 3.564 1.00 0.00 H new ATOM 0 HB2 LEU A 72 3.473 -6.273 4.560 1.00 0.00 H new ATOM 0 HB3 LEU A 72 2.291 -4.998 4.779 1.00 0.00 H new ATOM 0 HG LEU A 72 3.460 -6.034 2.194 1.00 0.00 H new ATOM 0 HD11 LEU A 72 1.081 -6.387 1.637 1.00 0.00 H new ATOM 0 HD12 LEU A 72 1.548 -7.254 3.119 1.00 0.00 H new ATOM 0 HD13 LEU A 72 0.619 -5.741 3.230 1.00 0.00 H new ATOM 0 HD21 LEU A 72 2.190 -4.277 1.021 1.00 0.00 H new ATOM 0 HD22 LEU A 72 1.768 -3.544 2.586 1.00 0.00 H new ATOM 0 HD23 LEU A 72 3.466 -3.592 2.056 1.00 0.00 H new ATOM 1135 N VAL A 73 2.598 -2.682 5.114 1.00 0.00 N ATOM 1136 CA VAL A 73 1.966 -1.371 5.202 1.00 0.00 C ATOM 1137 C VAL A 73 2.586 -0.518 6.306 1.00 0.00 C ATOM 1138 O VAL A 73 2.845 0.669 6.112 1.00 0.00 O ATOM 1139 CB VAL A 73 0.445 -1.508 5.438 1.00 0.00 C ATOM 1140 CG1 VAL A 73 0.134 -1.812 6.898 1.00 0.00 C ATOM 1141 CG2 VAL A 73 -0.281 -0.253 4.980 1.00 0.00 C ATOM 0 H VAL A 73 2.108 -3.422 5.617 1.00 0.00 H new ATOM 0 HA VAL A 73 2.135 -0.870 4.249 1.00 0.00 H new ATOM 0 HB VAL A 73 0.089 -2.349 4.844 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -0.944 -1.902 7.029 1.00 0.00 H new ATOM 0 HG12 VAL A 73 0.614 -2.748 7.185 1.00 0.00 H new ATOM 0 HG13 VAL A 73 0.510 -1.004 7.526 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -1.351 -0.368 5.154 1.00 0.00 H new ATOM 0 HG22 VAL A 73 0.088 0.606 5.541 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -0.101 -0.096 3.916 1.00 0.00 H new ATOM 1151 N LYS A 74 2.822 -1.128 7.464 1.00 0.00 N ATOM 1152 CA LYS A 74 3.412 -0.416 8.595 1.00 0.00 C ATOM 1153 C LYS A 74 4.674 0.325 8.170 1.00 0.00 C ATOM 1154 O LYS A 74 4.901 1.468 8.567 1.00 0.00 O ATOM 1155 CB LYS A 74 3.742 -1.392 9.724 1.00 0.00 C ATOM 1156 CG LYS A 74 3.641 -0.779 11.111 1.00 0.00 C ATOM 1157 CD LYS A 74 4.531 0.446 11.247 1.00 0.00 C ATOM 1158 CE LYS A 74 4.794 0.783 12.705 1.00 0.00 C ATOM 1159 NZ LYS A 74 3.668 1.543 13.313 1.00 0.00 N ATOM 0 H LYS A 74 2.615 -2.110 7.644 1.00 0.00 H new ATOM 0 HA LYS A 74 2.684 0.312 8.953 1.00 0.00 H new ATOM 0 HB2 LYS A 74 3.067 -2.245 9.664 1.00 0.00 H new ATOM 0 HB3 LYS A 74 4.752 -1.774 9.578 1.00 0.00 H new ATOM 0 HG2 LYS A 74 2.606 -0.502 11.313 1.00 0.00 H new ATOM 0 HG3 LYS A 74 3.924 -1.520 11.859 1.00 0.00 H new ATOM 0 HD2 LYS A 74 5.478 0.268 10.737 1.00 0.00 H new ATOM 0 HD3 LYS A 74 4.059 1.297 10.755 1.00 0.00 H new ATOM 0 HE2 LYS A 74 4.955 -0.137 13.266 1.00 0.00 H new ATOM 0 HE3 LYS A 74 5.710 1.368 12.782 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 3.888 1.753 14.308 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 3.530 2.433 12.794 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 2.798 0.975 13.263 1.00 0.00 H new ATOM 1173 N ALA A 75 5.494 -0.335 7.358 1.00 0.00 N ATOM 1174 CA ALA A 75 6.733 0.261 6.878 1.00 0.00 C ATOM 1175 C ALA A 75 6.458 1.447 5.959 1.00 0.00 C ATOM 1176 O ALA A 75 7.206 2.423 5.955 1.00 0.00 O ATOM 1177 CB ALA A 75 7.582 -0.779 6.163 1.00 0.00 C ATOM 0 H ALA A 75 5.322 -1.282 7.020 1.00 0.00 H new ATOM 0 HA ALA A 75 7.284 0.629 7.744 1.00 0.00 H new ATOM 0 HB1 ALA A 75 8.504 -0.316 5.811 1.00 0.00 H new ATOM 0 HB2 ALA A 75 7.822 -1.589 6.852 1.00 0.00 H new ATOM 0 HB3 ALA A 75 7.029 -1.178 5.313 1.00 0.00 H new ATOM 1183 N PHE A 76 5.378 1.362 5.182 1.00 0.00 N ATOM 1184 CA PHE A 76 5.016 2.442 4.267 1.00 0.00 C ATOM 1185 C PHE A 76 4.929 3.770 5.012 1.00 0.00 C ATOM 1186 O PHE A 76 5.545 4.760 4.619 1.00 0.00 O ATOM 1187 CB PHE A 76 3.679 2.149 3.583 1.00 0.00 C ATOM 1188 CG PHE A 76 3.546 2.827 2.250 1.00 0.00 C ATOM 1189 CD1 PHE A 76 4.130 2.273 1.124 1.00 0.00 C ATOM 1190 CD2 PHE A 76 2.856 4.024 2.126 1.00 0.00 C ATOM 1191 CE1 PHE A 76 4.028 2.896 -0.103 1.00 0.00 C ATOM 1192 CE2 PHE A 76 2.754 4.653 0.899 1.00 0.00 C ATOM 1193 CZ PHE A 76 3.341 4.088 -0.217 1.00 0.00 C ATOM 0 H PHE A 76 4.744 0.563 5.168 1.00 0.00 H new ATOM 0 HA PHE A 76 5.794 2.510 3.507 1.00 0.00 H new ATOM 0 HB2 PHE A 76 3.572 1.072 3.450 1.00 0.00 H new ATOM 0 HB3 PHE A 76 2.865 2.472 4.232 1.00 0.00 H new ATOM 0 HD1 PHE A 76 4.672 1.342 1.207 1.00 0.00 H new ATOM 0 HD2 PHE A 76 2.394 4.468 2.995 1.00 0.00 H new ATOM 0 HE1 PHE A 76 4.486 2.451 -0.974 1.00 0.00 H new ATOM 0 HE2 PHE A 76 2.216 5.585 0.813 1.00 0.00 H new ATOM 0 HZ PHE A 76 3.263 4.578 -1.176 1.00 0.00 H new ATOM 1203 N LYS A 77 4.159 3.778 6.095 1.00 0.00 N ATOM 1204 CA LYS A 77 3.985 4.976 6.908 1.00 0.00 C ATOM 1205 C LYS A 77 5.305 5.424 7.534 1.00 0.00 C ATOM 1206 O LYS A 77 5.417 6.546 8.025 1.00 0.00 O ATOM 1207 CB LYS A 77 2.952 4.716 8.005 1.00 0.00 C ATOM 1208 CG LYS A 77 1.628 4.189 7.477 1.00 0.00 C ATOM 1209 CD LYS A 77 1.339 2.786 7.988 1.00 0.00 C ATOM 1210 CE LYS A 77 0.626 2.818 9.330 1.00 0.00 C ATOM 1211 NZ LYS A 77 -0.567 3.708 9.304 1.00 0.00 N ATOM 0 H LYS A 77 3.644 2.964 6.431 1.00 0.00 H new ATOM 0 HA LYS A 77 3.633 5.775 6.256 1.00 0.00 H new ATOM 0 HB2 LYS A 77 3.362 3.999 8.717 1.00 0.00 H new ATOM 0 HB3 LYS A 77 2.774 5.642 8.552 1.00 0.00 H new ATOM 0 HG2 LYS A 77 0.823 4.859 7.778 1.00 0.00 H new ATOM 0 HG3 LYS A 77 1.647 4.183 6.387 1.00 0.00 H new ATOM 0 HD2 LYS A 77 0.726 2.252 7.262 1.00 0.00 H new ATOM 0 HD3 LYS A 77 2.273 2.233 8.084 1.00 0.00 H new ATOM 0 HE2 LYS A 77 0.320 1.808 9.602 1.00 0.00 H new ATOM 0 HE3 LYS A 77 1.317 3.160 10.100 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -1.319 3.298 9.895 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -0.309 4.645 9.673 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -0.908 3.803 8.326 1.00 0.00 H new ATOM 1225 N LYS A 78 6.303 4.545 7.517 1.00 0.00 N ATOM 1226 CA LYS A 78 7.607 4.862 8.086 1.00 0.00 C ATOM 1227 C LYS A 78 8.597 5.269 6.997 1.00 0.00 C ATOM 1228 O LYS A 78 9.610 5.911 7.276 1.00 0.00 O ATOM 1229 CB LYS A 78 8.152 3.659 8.857 1.00 0.00 C ATOM 1230 CG LYS A 78 9.055 4.039 10.020 1.00 0.00 C ATOM 1231 CD LYS A 78 10.520 3.806 9.690 1.00 0.00 C ATOM 1232 CE LYS A 78 11.011 2.478 10.242 1.00 0.00 C ATOM 1233 NZ LYS A 78 12.478 2.303 10.050 1.00 0.00 N ATOM 0 H LYS A 78 6.233 3.610 7.116 1.00 0.00 H new ATOM 0 HA LYS A 78 7.482 5.702 8.769 1.00 0.00 H new ATOM 0 HB2 LYS A 78 7.316 3.071 9.235 1.00 0.00 H new ATOM 0 HB3 LYS A 78 8.707 3.020 8.171 1.00 0.00 H new ATOM 0 HG2 LYS A 78 8.901 5.088 10.273 1.00 0.00 H new ATOM 0 HG3 LYS A 78 8.782 3.455 10.899 1.00 0.00 H new ATOM 0 HD2 LYS A 78 10.658 3.825 8.609 1.00 0.00 H new ATOM 0 HD3 LYS A 78 11.120 4.617 10.102 1.00 0.00 H new ATOM 0 HE2 LYS A 78 10.774 2.417 11.304 1.00 0.00 H new ATOM 0 HE3 LYS A 78 10.481 1.662 9.750 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 12.772 1.385 10.440 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 12.702 2.335 9.035 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 12.986 3.066 10.541 1.00 0.00 H new ATOM 1247 N LYS A 79 8.302 4.886 5.757 1.00 0.00 N ATOM 1248 CA LYS A 79 9.173 5.204 4.631 1.00 0.00 C ATOM 1249 C LYS A 79 8.692 6.447 3.883 1.00 0.00 C ATOM 1250 O LYS A 79 9.501 7.246 3.411 1.00 0.00 O ATOM 1251 CB LYS A 79 9.242 4.016 3.669 1.00 0.00 C ATOM 1252 CG LYS A 79 10.464 4.036 2.766 1.00 0.00 C ATOM 1253 CD LYS A 79 10.215 3.272 1.475 1.00 0.00 C ATOM 1254 CE LYS A 79 11.223 3.649 0.401 1.00 0.00 C ATOM 1255 NZ LYS A 79 12.624 3.520 0.887 1.00 0.00 N ATOM 0 H LYS A 79 7.467 4.356 5.508 1.00 0.00 H new ATOM 0 HA LYS A 79 10.167 5.412 5.028 1.00 0.00 H new ATOM 0 HB2 LYS A 79 9.242 3.091 4.246 1.00 0.00 H new ATOM 0 HB3 LYS A 79 8.344 4.006 3.051 1.00 0.00 H new ATOM 0 HG2 LYS A 79 10.730 5.067 2.534 1.00 0.00 H new ATOM 0 HG3 LYS A 79 11.313 3.598 3.291 1.00 0.00 H new ATOM 0 HD2 LYS A 79 10.271 2.201 1.668 1.00 0.00 H new ATOM 0 HD3 LYS A 79 9.206 3.479 1.117 1.00 0.00 H new ATOM 0 HE2 LYS A 79 11.081 3.011 -0.471 1.00 0.00 H new ATOM 0 HE3 LYS A 79 11.043 4.674 0.078 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 13.252 3.314 0.084 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 12.918 4.410 1.338 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 12.682 2.746 1.579 1.00 0.00 H new ATOM 1269 N PHE A 80 7.377 6.603 3.771 1.00 0.00 N ATOM 1270 CA PHE A 80 6.803 7.748 3.068 1.00 0.00 C ATOM 1271 C PHE A 80 6.059 8.681 4.019 1.00 0.00 C ATOM 1272 O PHE A 80 5.802 9.838 3.686 1.00 0.00 O ATOM 1273 CB PHE A 80 5.845 7.274 1.972 1.00 0.00 C ATOM 1274 CG PHE A 80 6.399 6.166 1.124 1.00 0.00 C ATOM 1275 CD1 PHE A 80 6.240 4.843 1.501 1.00 0.00 C ATOM 1276 CD2 PHE A 80 7.073 6.449 -0.052 1.00 0.00 C ATOM 1277 CE1 PHE A 80 6.743 3.821 0.721 1.00 0.00 C ATOM 1278 CE2 PHE A 80 7.578 5.431 -0.838 1.00 0.00 C ATOM 1279 CZ PHE A 80 7.414 4.116 -0.451 1.00 0.00 C ATOM 0 H PHE A 80 6.690 5.955 4.156 1.00 0.00 H new ATOM 0 HA PHE A 80 7.630 8.301 2.622 1.00 0.00 H new ATOM 0 HB2 PHE A 80 4.917 6.937 2.434 1.00 0.00 H new ATOM 0 HB3 PHE A 80 5.594 8.119 1.331 1.00 0.00 H new ATOM 0 HD1 PHE A 80 5.716 4.608 2.416 1.00 0.00 H new ATOM 0 HD2 PHE A 80 7.205 7.476 -0.358 1.00 0.00 H new ATOM 0 HE1 PHE A 80 6.613 2.793 1.026 1.00 0.00 H new ATOM 0 HE2 PHE A 80 8.100 5.664 -1.754 1.00 0.00 H new ATOM 0 HZ PHE A 80 7.809 3.319 -1.063 1.00 0.00 H new ATOM 1289 N ALA A 81 5.701 8.174 5.196 1.00 0.00 N ATOM 1290 CA ALA A 81 4.970 8.969 6.180 1.00 0.00 C ATOM 1291 C ALA A 81 3.509 9.113 5.772 1.00 0.00 C ATOM 1292 O ALA A 81 2.854 10.100 6.105 1.00 0.00 O ATOM 1293 CB ALA A 81 5.613 10.339 6.355 1.00 0.00 C ATOM 0 H ALA A 81 5.904 7.219 5.491 1.00 0.00 H new ATOM 0 HA ALA A 81 5.012 8.448 7.137 1.00 0.00 H new ATOM 0 HB1 ALA A 81 5.052 10.913 7.092 1.00 0.00 H new ATOM 0 HB2 ALA A 81 6.641 10.217 6.696 1.00 0.00 H new ATOM 0 HB3 ALA A 81 5.607 10.868 5.402 1.00 0.00 H new ATOM 1299 N CYS A 82 3.008 8.118 5.045 1.00 0.00 N ATOM 1300 CA CYS A 82 1.625 8.123 4.586 1.00 0.00 C ATOM 1301 C CYS A 82 0.759 7.238 5.472 1.00 0.00 C ATOM 1302 O CYS A 82 1.243 6.651 6.439 1.00 0.00 O ATOM 1303 CB CYS A 82 1.549 7.641 3.136 1.00 0.00 C ATOM 1304 SG CYS A 82 2.731 8.443 2.027 1.00 0.00 S ATOM 0 H CYS A 82 3.542 7.297 4.761 1.00 0.00 H new ATOM 0 HA CYS A 82 1.250 9.145 4.644 1.00 0.00 H new ATOM 0 HB2 CYS A 82 1.719 6.565 3.113 1.00 0.00 H new ATOM 0 HB3 CYS A 82 0.540 7.813 2.760 1.00 0.00 H new ATOM 0 HG CYS A 82 2.898 7.709 0.967 1.00 0.00 H new ATOM 1310 N ASN A 83 -0.523 7.142 5.137 1.00 0.00 N ATOM 1311 CA ASN A 83 -1.449 6.323 5.904 1.00 0.00 C ATOM 1312 C ASN A 83 -1.800 5.054 5.139 1.00 0.00 C ATOM 1313 O ASN A 83 -2.584 5.082 4.189 1.00 0.00 O ATOM 1314 CB ASN A 83 -2.716 7.111 6.239 1.00 0.00 C ATOM 1315 CG ASN A 83 -2.825 7.407 7.720 1.00 0.00 C ATOM 1316 OD1 ASN A 83 -3.913 7.361 8.296 1.00 0.00 O ATOM 1317 ND2 ASN A 83 -1.695 7.716 8.345 1.00 0.00 N ATOM 0 H ASN A 83 -0.942 7.621 4.340 1.00 0.00 H new ATOM 0 HA ASN A 83 -0.962 6.041 6.838 1.00 0.00 H new ATOM 0 HB2 ASN A 83 -2.719 8.047 5.681 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -3.590 6.545 5.917 1.00 0.00 H new ATOM 0 HD21 ASN A 83 -1.705 7.927 9.343 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -0.817 7.742 7.827 1.00 0.00 H new ATOM 1324 N GLY A 84 -1.210 3.944 5.559 1.00 0.00 N ATOM 1325 CA GLY A 84 -1.464 2.676 4.904 1.00 0.00 C ATOM 1326 C GLY A 84 -2.335 1.757 5.735 1.00 0.00 C ATOM 1327 O GLY A 84 -2.143 1.633 6.944 1.00 0.00 O ATOM 0 H GLY A 84 -0.559 3.898 6.343 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -1.946 2.857 3.943 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -0.515 2.182 4.696 1.00 0.00 H new ATOM 1331 N THR A 85 -3.294 1.112 5.083 1.00 0.00 N ATOM 1332 CA THR A 85 -4.201 0.199 5.772 1.00 0.00 C ATOM 1333 C THR A 85 -4.519 -1.024 4.916 1.00 0.00 C ATOM 1334 O THR A 85 -5.010 -0.900 3.796 1.00 0.00 O ATOM 1335 CB THR A 85 -5.495 0.922 6.142 1.00 0.00 C ATOM 1336 OG1 THR A 85 -6.146 1.411 4.983 1.00 0.00 O ATOM 1337 CG2 THR A 85 -5.274 2.090 7.074 1.00 0.00 C ATOM 0 H THR A 85 -3.465 1.203 4.081 1.00 0.00 H new ATOM 0 HA THR A 85 -3.703 -0.142 6.679 1.00 0.00 H new ATOM 0 HB THR A 85 -6.109 0.180 6.652 1.00 0.00 H new ATOM 0 HG1 THR A 85 -5.495 1.504 4.257 1.00 0.00 H new ATOM 0 HG21 THR A 85 -6.230 2.562 7.299 1.00 0.00 H new ATOM 0 HG22 THR A 85 -4.817 1.737 7.998 1.00 0.00 H new ATOM 0 HG23 THR A 85 -4.615 2.816 6.598 1.00 0.00 H new ATOM 1345 N VAL A 86 -4.245 -2.206 5.462 1.00 0.00 N ATOM 1346 CA VAL A 86 -4.509 -3.457 4.760 1.00 0.00 C ATOM 1347 C VAL A 86 -5.963 -3.884 4.946 1.00 0.00 C ATOM 1348 O VAL A 86 -6.375 -4.242 6.050 1.00 0.00 O ATOM 1349 CB VAL A 86 -3.581 -4.586 5.256 1.00 0.00 C ATOM 1350 CG1 VAL A 86 -3.800 -4.850 6.739 1.00 0.00 C ATOM 1351 CG2 VAL A 86 -3.798 -5.854 4.443 1.00 0.00 C ATOM 0 H VAL A 86 -3.839 -2.323 6.391 1.00 0.00 H new ATOM 0 HA VAL A 86 -4.314 -3.281 3.702 1.00 0.00 H new ATOM 0 HB VAL A 86 -2.548 -4.266 5.118 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -3.136 -5.649 7.068 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -3.586 -3.944 7.305 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -4.835 -5.146 6.907 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -3.135 -6.638 4.808 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -4.834 -6.178 4.544 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -3.581 -5.655 3.393 1.00 0.00 H new ATOM 1361 N ILE A 87 -6.737 -3.840 3.867 1.00 0.00 N ATOM 1362 CA ILE A 87 -8.145 -4.219 3.924 1.00 0.00 C ATOM 1363 C ILE A 87 -8.484 -5.274 2.877 1.00 0.00 C ATOM 1364 O ILE A 87 -7.837 -5.361 1.833 1.00 0.00 O ATOM 1365 CB ILE A 87 -9.064 -2.999 3.713 1.00 0.00 C ATOM 1366 CG1 ILE A 87 -8.818 -2.372 2.337 1.00 0.00 C ATOM 1367 CG2 ILE A 87 -8.848 -1.972 4.815 1.00 0.00 C ATOM 1368 CD1 ILE A 87 -10.047 -2.356 1.453 1.00 0.00 C ATOM 0 H ILE A 87 -6.415 -3.547 2.945 1.00 0.00 H new ATOM 0 HA ILE A 87 -8.314 -4.633 4.918 1.00 0.00 H new ATOM 0 HB ILE A 87 -10.100 -3.337 3.756 1.00 0.00 H new ATOM 0 HG12 ILE A 87 -8.463 -1.350 2.470 1.00 0.00 H new ATOM 0 HG13 ILE A 87 -8.024 -2.922 1.832 1.00 0.00 H new ATOM 0 HG21 ILE A 87 -9.505 -1.118 4.650 1.00 0.00 H new ATOM 0 HG22 ILE A 87 -9.074 -2.422 5.781 1.00 0.00 H new ATOM 0 HG23 ILE A 87 -7.810 -1.639 4.804 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -9.800 -1.898 0.495 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -10.391 -3.377 1.289 1.00 0.00 H new ATOM 0 HD13 ILE A 87 -10.836 -1.781 1.937 1.00 0.00 H new ATOM 1380 N GLU A 88 -9.509 -6.069 3.160 1.00 0.00 N ATOM 1381 CA GLU A 88 -9.948 -7.111 2.242 1.00 0.00 C ATOM 1382 C GLU A 88 -11.135 -6.625 1.418 1.00 0.00 C ATOM 1383 O GLU A 88 -12.264 -7.083 1.602 1.00 0.00 O ATOM 1384 CB GLU A 88 -10.325 -8.376 3.014 1.00 0.00 C ATOM 1385 CG GLU A 88 -10.340 -9.626 2.153 1.00 0.00 C ATOM 1386 CD GLU A 88 -10.176 -10.897 2.966 1.00 0.00 C ATOM 1387 OE1 GLU A 88 -9.032 -11.204 3.362 1.00 0.00 O ATOM 1388 OE2 GLU A 88 -11.191 -11.583 3.205 1.00 0.00 O ATOM 0 H GLU A 88 -10.053 -6.011 4.021 1.00 0.00 H new ATOM 0 HA GLU A 88 -9.126 -7.346 1.566 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -9.620 -8.517 3.833 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -11.310 -8.240 3.461 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -11.279 -9.671 1.601 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -9.539 -9.565 1.416 1.00 0.00 H new ATOM 1395 N HIS A 89 -10.872 -5.686 0.516 1.00 0.00 N ATOM 1396 CA HIS A 89 -11.913 -5.122 -0.337 1.00 0.00 C ATOM 1397 C HIS A 89 -12.747 -6.219 -0.998 1.00 0.00 C ATOM 1398 O HIS A 89 -12.202 -7.186 -1.529 1.00 0.00 O ATOM 1399 CB HIS A 89 -11.287 -4.228 -1.407 1.00 0.00 C ATOM 1400 CG HIS A 89 -12.143 -3.061 -1.789 1.00 0.00 C ATOM 1401 ND1 HIS A 89 -12.847 -3.000 -2.973 1.00 0.00 N ATOM 1402 CD2 HIS A 89 -12.412 -1.906 -1.134 1.00 0.00 C ATOM 1403 CE1 HIS A 89 -13.511 -1.860 -3.031 1.00 0.00 C ATOM 1404 NE2 HIS A 89 -13.264 -1.178 -1.928 1.00 0.00 N ATOM 0 H HIS A 89 -9.943 -5.298 0.356 1.00 0.00 H new ATOM 0 HA HIS A 89 -12.575 -4.526 0.292 1.00 0.00 H new ATOM 0 HB2 HIS A 89 -10.327 -3.860 -1.045 1.00 0.00 H new ATOM 0 HB3 HIS A 89 -11.085 -4.826 -2.296 1.00 0.00 H new ATOM 0 HD2 HIS A 89 -12.028 -1.613 -0.168 1.00 0.00 H new ATOM 0 HE1 HIS A 89 -14.148 -1.540 -3.843 1.00 0.00 H new ATOM 0 HE2 HIS A 89 -13.644 -0.259 -1.702 1.00 0.00 H new ATOM 1413 N PRO A 90 -14.086 -6.083 -0.976 1.00 0.00 N ATOM 1414 CA PRO A 90 -14.986 -7.068 -1.578 1.00 0.00 C ATOM 1415 C PRO A 90 -15.031 -6.960 -3.099 1.00 0.00 C ATOM 1416 O PRO A 90 -15.457 -7.889 -3.786 1.00 0.00 O ATOM 1417 CB PRO A 90 -16.345 -6.707 -0.978 1.00 0.00 C ATOM 1418 CG PRO A 90 -16.261 -5.243 -0.723 1.00 0.00 C ATOM 1419 CD PRO A 90 -14.825 -4.960 -0.364 1.00 0.00 C ATOM 0 HA PRO A 90 -14.669 -8.091 -1.376 1.00 0.00 H new ATOM 0 HB2 PRO A 90 -17.158 -6.945 -1.664 1.00 0.00 H new ATOM 0 HB3 PRO A 90 -16.533 -7.260 -0.058 1.00 0.00 H new ATOM 0 HG2 PRO A 90 -16.561 -4.677 -1.605 1.00 0.00 H new ATOM 0 HG3 PRO A 90 -16.930 -4.950 0.086 1.00 0.00 H new ATOM 0 HD2 PRO A 90 -14.495 -4.000 -0.760 1.00 0.00 H new ATOM 0 HD3 PRO A 90 -14.681 -4.926 0.716 1.00 0.00 H new ATOM 1427 N GLU A 91 -14.587 -5.819 -3.621 1.00 0.00 N ATOM 1428 CA GLU A 91 -14.575 -5.589 -5.059 1.00 0.00 C ATOM 1429 C GLU A 91 -13.303 -6.147 -5.691 1.00 0.00 C ATOM 1430 O GLU A 91 -13.287 -6.496 -6.872 1.00 0.00 O ATOM 1431 CB GLU A 91 -14.692 -4.092 -5.352 1.00 0.00 C ATOM 1432 CG GLU A 91 -15.974 -3.708 -6.072 1.00 0.00 C ATOM 1433 CD GLU A 91 -15.872 -3.880 -7.574 1.00 0.00 C ATOM 1434 OE1 GLU A 91 -14.741 -3.838 -8.102 1.00 0.00 O ATOM 1435 OE2 GLU A 91 -16.924 -4.056 -8.225 1.00 0.00 O ATOM 0 H GLU A 91 -14.231 -5.040 -3.067 1.00 0.00 H new ATOM 0 HA GLU A 91 -15.429 -6.108 -5.494 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -14.634 -3.542 -4.413 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -13.840 -3.781 -5.956 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -16.795 -4.318 -5.695 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -16.217 -2.670 -5.844 1.00 0.00 H new ATOM 1442 N TYR A 92 -12.237 -6.228 -4.899 1.00 0.00 N ATOM 1443 CA TYR A 92 -10.962 -6.742 -5.386 1.00 0.00 C ATOM 1444 C TYR A 92 -10.589 -8.039 -4.674 1.00 0.00 C ATOM 1445 O TYR A 92 -10.317 -9.055 -5.313 1.00 0.00 O ATOM 1446 CB TYR A 92 -9.856 -5.701 -5.186 1.00 0.00 C ATOM 1447 CG TYR A 92 -10.317 -4.271 -5.377 1.00 0.00 C ATOM 1448 CD1 TYR A 92 -11.271 -3.950 -6.336 1.00 0.00 C ATOM 1449 CD2 TYR A 92 -9.801 -3.245 -4.597 1.00 0.00 C ATOM 1450 CE1 TYR A 92 -11.695 -2.647 -6.513 1.00 0.00 C ATOM 1451 CE2 TYR A 92 -10.221 -1.938 -4.767 1.00 0.00 C ATOM 1452 CZ TYR A 92 -11.167 -1.645 -5.726 1.00 0.00 C ATOM 1453 OH TYR A 92 -11.587 -0.346 -5.898 1.00 0.00 O ATOM 0 H TYR A 92 -12.232 -5.945 -3.919 1.00 0.00 H new ATOM 0 HA TYR A 92 -11.067 -6.950 -6.451 1.00 0.00 H new ATOM 0 HB2 TYR A 92 -9.446 -5.809 -4.182 1.00 0.00 H new ATOM 0 HB3 TYR A 92 -9.046 -5.908 -5.885 1.00 0.00 H new ATOM 0 HD1 TYR A 92 -11.688 -4.732 -6.953 1.00 0.00 H new ATOM 0 HD2 TYR A 92 -9.059 -3.471 -3.845 1.00 0.00 H new ATOM 0 HE1 TYR A 92 -12.436 -2.414 -7.264 1.00 0.00 H new ATOM 0 HE2 TYR A 92 -9.810 -1.151 -4.152 1.00 0.00 H new ATOM 0 HH TYR A 92 -11.118 0.236 -5.264 1.00 0.00 H new ATOM 1463 N GLY A 93 -10.581 -7.996 -3.345 1.00 0.00 N ATOM 1464 CA GLY A 93 -10.242 -9.173 -2.567 1.00 0.00 C ATOM 1465 C GLY A 93 -8.824 -9.132 -2.033 1.00 0.00 C ATOM 1466 O GLY A 93 -7.876 -9.465 -2.743 1.00 0.00 O ATOM 0 H GLY A 93 -10.803 -7.167 -2.794 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -10.938 -9.265 -1.733 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -10.367 -10.061 -3.186 1.00 0.00 H new ATOM 1470 N GLU A 94 -8.680 -8.722 -0.777 1.00 0.00 N ATOM 1471 CA GLU A 94 -7.369 -8.641 -0.144 1.00 0.00 C ATOM 1472 C GLU A 94 -6.468 -7.650 -0.874 1.00 0.00 C ATOM 1473 O GLU A 94 -5.669 -8.035 -1.727 1.00 0.00 O ATOM 1474 CB GLU A 94 -6.708 -10.020 -0.113 1.00 0.00 C ATOM 1475 CG GLU A 94 -5.808 -10.236 1.091 1.00 0.00 C ATOM 1476 CD GLU A 94 -5.560 -11.704 1.378 1.00 0.00 C ATOM 1477 OE1 GLU A 94 -6.374 -12.542 0.935 1.00 0.00 O ATOM 1478 OE2 GLU A 94 -4.551 -12.017 2.044 1.00 0.00 O ATOM 0 H GLU A 94 -9.456 -8.441 -0.177 1.00 0.00 H new ATOM 0 HA GLU A 94 -7.511 -8.289 0.878 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -7.484 -10.786 -0.118 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -6.122 -10.153 -1.023 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -4.854 -9.737 0.921 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -6.260 -9.770 1.966 1.00 0.00 H new ATOM 1485 N VAL A 95 -6.600 -6.373 -0.531 1.00 0.00 N ATOM 1486 CA VAL A 95 -5.795 -5.328 -1.151 1.00 0.00 C ATOM 1487 C VAL A 95 -5.347 -4.301 -0.118 1.00 0.00 C ATOM 1488 O VAL A 95 -6.099 -3.955 0.793 1.00 0.00 O ATOM 1489 CB VAL A 95 -6.571 -4.610 -2.271 1.00 0.00 C ATOM 1490 CG1 VAL A 95 -6.879 -5.570 -3.409 1.00 0.00 C ATOM 1491 CG2 VAL A 95 -7.850 -3.990 -1.727 1.00 0.00 C ATOM 0 H VAL A 95 -7.257 -6.037 0.173 1.00 0.00 H new ATOM 0 HA VAL A 95 -4.920 -5.814 -1.583 1.00 0.00 H new ATOM 0 HB VAL A 95 -5.945 -3.808 -2.662 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -7.428 -5.044 -4.190 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -5.947 -5.959 -3.819 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -7.484 -6.396 -3.035 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -8.383 -3.488 -2.534 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -8.482 -4.771 -1.306 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -7.602 -3.266 -0.951 1.00 0.00 H new ATOM 1501 N ILE A 96 -4.123 -3.809 -0.266 1.00 0.00 N ATOM 1502 CA ILE A 96 -3.592 -2.814 0.659 1.00 0.00 C ATOM 1503 C ILE A 96 -4.116 -1.431 0.296 1.00 0.00 C ATOM 1504 O ILE A 96 -4.011 -1.003 -0.851 1.00 0.00 O ATOM 1505 CB ILE A 96 -2.043 -2.827 0.670 1.00 0.00 C ATOM 1506 CG1 ILE A 96 -1.546 -3.780 1.764 1.00 0.00 C ATOM 1507 CG2 ILE A 96 -1.466 -1.426 0.871 1.00 0.00 C ATOM 1508 CD1 ILE A 96 -1.467 -3.148 3.137 1.00 0.00 C ATOM 0 H ILE A 96 -3.483 -4.080 -1.012 1.00 0.00 H new ATOM 0 HA ILE A 96 -3.931 -3.067 1.664 1.00 0.00 H new ATOM 0 HB ILE A 96 -1.697 -3.179 -0.302 1.00 0.00 H new ATOM 0 HG12 ILE A 96 -2.210 -4.643 1.810 1.00 0.00 H new ATOM 0 HG13 ILE A 96 -0.559 -4.151 1.488 1.00 0.00 H new ATOM 0 HG21 ILE A 96 -0.377 -1.478 0.873 1.00 0.00 H new ATOM 0 HG22 ILE A 96 -1.797 -0.776 0.061 1.00 0.00 H new ATOM 0 HG23 ILE A 96 -1.812 -1.023 1.823 1.00 0.00 H new ATOM 0 HD11 ILE A 96 -1.108 -3.884 3.856 1.00 0.00 H new ATOM 0 HD12 ILE A 96 -0.780 -2.302 3.109 1.00 0.00 H new ATOM 0 HD13 ILE A 96 -2.456 -2.802 3.436 1.00 0.00 H new ATOM 1520 N GLN A 97 -4.698 -0.745 1.275 1.00 0.00 N ATOM 1521 CA GLN A 97 -5.260 0.581 1.045 1.00 0.00 C ATOM 1522 C GLN A 97 -4.376 1.680 1.622 1.00 0.00 C ATOM 1523 O GLN A 97 -4.277 1.840 2.838 1.00 0.00 O ATOM 1524 CB GLN A 97 -6.662 0.675 1.654 1.00 0.00 C ATOM 1525 CG GLN A 97 -7.760 0.905 0.627 1.00 0.00 C ATOM 1526 CD GLN A 97 -9.108 1.174 1.264 1.00 0.00 C ATOM 1527 OE1 GLN A 97 -10.099 0.516 0.948 1.00 0.00 O ATOM 1528 NE2 GLN A 97 -9.152 2.147 2.167 1.00 0.00 N ATOM 0 H GLN A 97 -4.792 -1.084 2.232 1.00 0.00 H new ATOM 0 HA GLN A 97 -5.318 0.727 -0.034 1.00 0.00 H new ATOM 0 HB2 GLN A 97 -6.874 -0.244 2.200 1.00 0.00 H new ATOM 0 HB3 GLN A 97 -6.680 1.488 2.380 1.00 0.00 H new ATOM 0 HG2 GLN A 97 -7.488 1.748 -0.008 1.00 0.00 H new ATOM 0 HG3 GLN A 97 -7.836 0.031 -0.020 1.00 0.00 H new ATOM 0 HE21 GLN A 97 -8.305 2.667 2.398 1.00 0.00 H new ATOM 0 HE22 GLN A 97 -10.032 2.374 2.629 1.00 0.00 H new ATOM 1537 N LEU A 98 -3.760 2.452 0.736 1.00 0.00 N ATOM 1538 CA LEU A 98 -2.907 3.558 1.144 1.00 0.00 C ATOM 1539 C LEU A 98 -3.711 4.851 1.144 1.00 0.00 C ATOM 1540 O LEU A 98 -4.807 4.905 0.590 1.00 0.00 O ATOM 1541 CB LEU A 98 -1.712 3.687 0.199 1.00 0.00 C ATOM 1542 CG LEU A 98 -0.389 3.141 0.736 1.00 0.00 C ATOM 1543 CD1 LEU A 98 -0.593 1.808 1.444 1.00 0.00 C ATOM 1544 CD2 LEU A 98 0.613 2.997 -0.397 1.00 0.00 C ATOM 0 H LEU A 98 -3.837 2.331 -0.274 1.00 0.00 H new ATOM 0 HA LEU A 98 -2.535 3.364 2.150 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -1.948 3.170 -0.731 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -1.577 4.740 -0.048 1.00 0.00 H new ATOM 0 HG LEU A 98 0.004 3.849 1.466 1.00 0.00 H new ATOM 0 HD11 LEU A 98 0.365 1.443 1.816 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -1.280 1.941 2.280 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -1.010 1.084 0.744 1.00 0.00 H new ATOM 0 HD21 LEU A 98 1.552 2.607 -0.005 1.00 0.00 H new ATOM 0 HD22 LEU A 98 0.219 2.309 -1.146 1.00 0.00 H new ATOM 0 HD23 LEU A 98 0.787 3.971 -0.855 1.00 0.00 H new ATOM 1556 N GLN A 99 -3.167 5.889 1.762 1.00 0.00 N ATOM 1557 CA GLN A 99 -3.849 7.178 1.819 1.00 0.00 C ATOM 1558 C GLN A 99 -3.194 8.181 0.877 1.00 0.00 C ATOM 1559 O GLN A 99 -1.970 8.240 0.770 1.00 0.00 O ATOM 1560 CB GLN A 99 -3.847 7.720 3.250 1.00 0.00 C ATOM 1561 CG GLN A 99 -5.158 7.498 3.986 1.00 0.00 C ATOM 1562 CD GLN A 99 -6.235 8.481 3.569 1.00 0.00 C ATOM 1563 OE1 GLN A 99 -5.979 9.676 3.425 1.00 0.00 O ATOM 1564 NE2 GLN A 99 -7.449 7.980 3.372 1.00 0.00 N ATOM 0 H GLN A 99 -2.261 5.867 2.229 1.00 0.00 H new ATOM 0 HA GLN A 99 -4.881 7.030 1.500 1.00 0.00 H new ATOM 0 HB2 GLN A 99 -3.041 7.244 3.809 1.00 0.00 H new ATOM 0 HB3 GLN A 99 -3.630 8.788 3.225 1.00 0.00 H new ATOM 0 HG2 GLN A 99 -5.507 6.482 3.800 1.00 0.00 H new ATOM 0 HG3 GLN A 99 -4.987 7.585 5.059 1.00 0.00 H new ATOM 0 HE21 GLN A 99 -7.616 6.982 3.503 1.00 0.00 H new ATOM 0 HE22 GLN A 99 -8.214 8.593 3.090 1.00 0.00 H new ATOM 1573 N GLY A 100 -4.020 8.967 0.192 1.00 0.00 N ATOM 1574 CA GLY A 100 -3.503 9.954 -0.736 1.00 0.00 C ATOM 1575 C GLY A 100 -3.067 9.332 -2.048 1.00 0.00 C ATOM 1576 O GLY A 100 -3.176 8.119 -2.231 1.00 0.00 O ATOM 0 H GLY A 100 -5.037 8.937 0.264 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -4.269 10.705 -0.929 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -2.657 10.470 -0.281 1.00 0.00 H new ATOM 1580 N ASP A 101 -2.568 10.156 -2.962 1.00 0.00 N ATOM 1581 CA ASP A 101 -2.113 9.664 -4.256 1.00 0.00 C ATOM 1582 C ASP A 101 -0.729 9.034 -4.133 1.00 0.00 C ATOM 1583 O ASP A 101 0.287 9.688 -4.368 1.00 0.00 O ATOM 1584 CB ASP A 101 -2.087 10.798 -5.282 1.00 0.00 C ATOM 1585 CG ASP A 101 -1.214 11.957 -4.841 1.00 0.00 C ATOM 1586 OD1 ASP A 101 -1.592 12.652 -3.875 1.00 0.00 O ATOM 1587 OD2 ASP A 101 -0.151 12.170 -5.463 1.00 0.00 O ATOM 0 H ASP A 101 -2.469 11.163 -2.832 1.00 0.00 H new ATOM 0 HA ASP A 101 -2.813 8.902 -4.597 1.00 0.00 H new ATOM 0 HB2 ASP A 101 -1.722 10.414 -6.235 1.00 0.00 H new ATOM 0 HB3 ASP A 101 -3.103 11.155 -5.450 1.00 0.00 H new ATOM 1592 N GLN A 102 -0.702 7.761 -3.752 1.00 0.00 N ATOM 1593 CA GLN A 102 0.549 7.034 -3.584 1.00 0.00 C ATOM 1594 C GLN A 102 0.805 6.091 -4.756 1.00 0.00 C ATOM 1595 O GLN A 102 1.714 5.265 -4.704 1.00 0.00 O ATOM 1596 CB GLN A 102 0.518 6.235 -2.278 1.00 0.00 C ATOM 1597 CG GLN A 102 1.177 6.943 -1.103 1.00 0.00 C ATOM 1598 CD GLN A 102 0.812 8.412 -1.018 1.00 0.00 C ATOM 1599 OE1 GLN A 102 -0.453 8.721 -1.267 1.00 0.00 O flip ATOM 1600 NE2 GLN A 102 1.659 9.259 -0.731 1.00 0.00 N flip ATOM 0 H GLN A 102 -1.537 7.210 -3.553 1.00 0.00 H new ATOM 0 HA GLN A 102 1.359 7.763 -3.549 1.00 0.00 H new ATOM 0 HB2 GLN A 102 -0.519 6.017 -2.022 1.00 0.00 H new ATOM 0 HB3 GLN A 102 1.015 5.278 -2.438 1.00 0.00 H new ATOM 0 HG2 GLN A 102 0.885 6.447 -0.177 1.00 0.00 H new ATOM 0 HG3 GLN A 102 2.259 6.847 -1.189 1.00 0.00 H new ATOM 0 HE21 GLN A 102 2.621 8.976 -0.547 1.00 0.00 H new ATOM 0 HE22 GLN A 102 1.398 10.244 -0.677 1.00 0.00 H new ATOM 1609 N ARG A 103 0.004 6.212 -5.811 1.00 0.00 N ATOM 1610 CA ARG A 103 0.159 5.359 -6.985 1.00 0.00 C ATOM 1611 C ARG A 103 1.611 5.330 -7.454 1.00 0.00 C ATOM 1612 O ARG A 103 2.069 4.344 -8.032 1.00 0.00 O ATOM 1613 CB ARG A 103 -0.746 5.841 -8.120 1.00 0.00 C ATOM 1614 CG ARG A 103 -0.546 7.305 -8.478 1.00 0.00 C ATOM 1615 CD ARG A 103 -1.551 7.763 -9.523 1.00 0.00 C ATOM 1616 NE ARG A 103 -1.007 7.686 -10.877 1.00 0.00 N ATOM 1617 CZ ARG A 103 -0.212 8.609 -11.411 1.00 0.00 C ATOM 1618 NH1 ARG A 103 0.135 9.683 -10.712 1.00 0.00 N ATOM 1619 NH2 ARG A 103 0.240 8.459 -12.649 1.00 0.00 N ATOM 0 H ARG A 103 -0.756 6.889 -5.877 1.00 0.00 H new ATOM 0 HA ARG A 103 -0.132 4.347 -6.704 1.00 0.00 H new ATOM 0 HB2 ARG A 103 -0.562 5.231 -9.004 1.00 0.00 H new ATOM 0 HB3 ARG A 103 -1.786 5.684 -7.835 1.00 0.00 H new ATOM 0 HG2 ARG A 103 -0.646 7.917 -7.582 1.00 0.00 H new ATOM 0 HG3 ARG A 103 0.466 7.454 -8.854 1.00 0.00 H new ATOM 0 HD2 ARG A 103 -2.448 7.147 -9.457 1.00 0.00 H new ATOM 0 HD3 ARG A 103 -1.852 8.789 -9.311 1.00 0.00 H new ATOM 0 HE ARG A 103 -1.252 6.876 -11.447 1.00 0.00 H new ATOM 0 HH11 ARG A 103 -0.208 9.804 -9.759 1.00 0.00 H new ATOM 0 HH12 ARG A 103 0.745 10.387 -11.128 1.00 0.00 H new ATOM 0 HH21 ARG A 103 -0.022 7.636 -13.191 1.00 0.00 H new ATOM 0 HH22 ARG A 103 0.850 9.167 -13.059 1.00 0.00 H new ATOM 1633 N LYS A 104 2.331 6.417 -7.197 1.00 0.00 N ATOM 1634 CA LYS A 104 3.732 6.515 -7.586 1.00 0.00 C ATOM 1635 C LYS A 104 4.648 6.148 -6.421 1.00 0.00 C ATOM 1636 O LYS A 104 5.805 5.783 -6.622 1.00 0.00 O ATOM 1637 CB LYS A 104 4.051 7.932 -8.072 1.00 0.00 C ATOM 1638 CG LYS A 104 3.402 8.279 -9.401 1.00 0.00 C ATOM 1639 CD LYS A 104 3.023 9.750 -9.469 1.00 0.00 C ATOM 1640 CE LYS A 104 4.241 10.650 -9.327 1.00 0.00 C ATOM 1641 NZ LYS A 104 4.517 11.411 -10.577 1.00 0.00 N ATOM 0 H LYS A 104 1.967 7.242 -6.721 1.00 0.00 H new ATOM 0 HA LYS A 104 3.907 5.810 -8.399 1.00 0.00 H new ATOM 0 HB2 LYS A 104 3.723 8.648 -7.319 1.00 0.00 H new ATOM 0 HB3 LYS A 104 5.132 8.041 -8.165 1.00 0.00 H new ATOM 0 HG2 LYS A 104 4.087 8.041 -10.215 1.00 0.00 H new ATOM 0 HG3 LYS A 104 2.512 7.666 -9.544 1.00 0.00 H new ATOM 0 HD2 LYS A 104 2.527 9.955 -10.418 1.00 0.00 H new ATOM 0 HD3 LYS A 104 2.307 9.979 -8.679 1.00 0.00 H new ATOM 0 HE2 LYS A 104 4.083 11.348 -8.504 1.00 0.00 H new ATOM 0 HE3 LYS A 104 5.111 10.046 -9.070 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 5.354 12.012 -10.440 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 4.693 10.746 -11.357 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 3.697 12.007 -10.809 1.00 0.00 H new ATOM 1655 N ASN A 105 4.125 6.252 -5.202 1.00 0.00 N ATOM 1656 CA ASN A 105 4.902 5.933 -4.010 1.00 0.00 C ATOM 1657 C ASN A 105 4.831 4.444 -3.686 1.00 0.00 C ATOM 1658 O ASN A 105 5.814 3.852 -3.241 1.00 0.00 O ATOM 1659 CB ASN A 105 4.402 6.750 -2.817 1.00 0.00 C ATOM 1660 CG ASN A 105 5.123 8.076 -2.682 1.00 0.00 C ATOM 1661 OD1 ASN A 105 6.303 8.122 -2.332 1.00 0.00 O ATOM 1662 ND2 ASN A 105 4.417 9.165 -2.960 1.00 0.00 N ATOM 0 H ASN A 105 3.169 6.554 -5.015 1.00 0.00 H new ATOM 0 HA ASN A 105 5.942 6.189 -4.211 1.00 0.00 H new ATOM 0 HB2 ASN A 105 3.333 6.931 -2.926 1.00 0.00 H new ATOM 0 HB3 ASN A 105 4.536 6.172 -1.903 1.00 0.00 H new ATOM 0 HD21 ASN A 105 4.850 10.086 -2.887 1.00 0.00 H new ATOM 0 HD22 ASN A 105 3.442 9.081 -3.247 1.00 0.00 H new ATOM 1669 N ILE A 106 3.667 3.841 -3.907 1.00 0.00 N ATOM 1670 CA ILE A 106 3.487 2.421 -3.630 1.00 0.00 C ATOM 1671 C ILE A 106 4.336 1.571 -4.568 1.00 0.00 C ATOM 1672 O ILE A 106 5.043 0.667 -4.126 1.00 0.00 O ATOM 1673 CB ILE A 106 2.011 1.996 -3.735 1.00 0.00 C ATOM 1674 CG1 ILE A 106 1.846 0.540 -3.293 1.00 0.00 C ATOM 1675 CG2 ILE A 106 1.493 2.189 -5.151 1.00 0.00 C ATOM 1676 CD1 ILE A 106 2.291 0.283 -1.867 1.00 0.00 C ATOM 0 H ILE A 106 2.839 4.310 -4.275 1.00 0.00 H new ATOM 0 HA ILE A 106 3.814 2.256 -2.603 1.00 0.00 H new ATOM 0 HB ILE A 106 1.422 2.629 -3.072 1.00 0.00 H new ATOM 0 HG12 ILE A 106 0.799 0.255 -3.395 1.00 0.00 H new ATOM 0 HG13 ILE A 106 2.417 -0.101 -3.964 1.00 0.00 H new ATOM 0 HG21 ILE A 106 0.448 1.882 -5.201 1.00 0.00 H new ATOM 0 HG22 ILE A 106 1.576 3.240 -5.429 1.00 0.00 H new ATOM 0 HG23 ILE A 106 2.082 1.584 -5.840 1.00 0.00 H new ATOM 0 HD11 ILE A 106 2.145 -0.770 -1.624 1.00 0.00 H new ATOM 0 HD12 ILE A 106 3.346 0.536 -1.764 1.00 0.00 H new ATOM 0 HD13 ILE A 106 1.702 0.898 -1.186 1.00 0.00 H new ATOM 1688 N CYS A 107 4.285 1.879 -5.862 1.00 0.00 N ATOM 1689 CA CYS A 107 5.078 1.147 -6.844 1.00 0.00 C ATOM 1690 C CYS A 107 6.547 1.185 -6.443 1.00 0.00 C ATOM 1691 O CYS A 107 7.298 0.237 -6.674 1.00 0.00 O ATOM 1692 CB CYS A 107 4.895 1.749 -8.239 1.00 0.00 C ATOM 1693 SG CYS A 107 5.375 3.487 -8.362 1.00 0.00 S ATOM 0 H CYS A 107 3.708 2.624 -6.252 1.00 0.00 H new ATOM 0 HA CYS A 107 4.739 0.111 -6.872 1.00 0.00 H new ATOM 0 HB2 CYS A 107 5.481 1.170 -8.953 1.00 0.00 H new ATOM 0 HB3 CYS A 107 3.850 1.650 -8.531 1.00 0.00 H new ATOM 0 HG CYS A 107 5.636 3.950 -7.176 1.00 0.00 H new ATOM 1699 N GLN A 108 6.936 2.291 -5.816 1.00 0.00 N ATOM 1700 CA GLN A 108 8.302 2.474 -5.346 1.00 0.00 C ATOM 1701 C GLN A 108 8.580 1.539 -4.181 1.00 0.00 C ATOM 1702 O GLN A 108 9.606 0.864 -4.133 1.00 0.00 O ATOM 1703 CB GLN A 108 8.517 3.919 -4.893 1.00 0.00 C ATOM 1704 CG GLN A 108 8.991 4.846 -5.996 1.00 0.00 C ATOM 1705 CD GLN A 108 10.490 5.066 -5.968 1.00 0.00 C ATOM 1706 OE1 GLN A 108 10.971 6.172 -6.216 1.00 0.00 O ATOM 1707 NE2 GLN A 108 11.241 4.012 -5.665 1.00 0.00 N ATOM 0 H GLN A 108 6.318 3.079 -5.621 1.00 0.00 H new ATOM 0 HA GLN A 108 8.983 2.248 -6.166 1.00 0.00 H new ATOM 0 HB2 GLN A 108 7.582 4.304 -4.485 1.00 0.00 H new ATOM 0 HB3 GLN A 108 9.247 3.931 -4.084 1.00 0.00 H new ATOM 0 HG2 GLN A 108 8.707 4.430 -6.962 1.00 0.00 H new ATOM 0 HG3 GLN A 108 8.485 5.807 -5.901 1.00 0.00 H new ATOM 0 HE21 GLN A 108 10.802 3.113 -5.466 1.00 0.00 H new ATOM 0 HE22 GLN A 108 12.256 4.102 -5.631 1.00 0.00 H new ATOM 1716 N PHE A 109 7.646 1.516 -3.242 1.00 0.00 N ATOM 1717 CA PHE A 109 7.750 0.683 -2.057 1.00 0.00 C ATOM 1718 C PHE A 109 7.883 -0.788 -2.431 1.00 0.00 C ATOM 1719 O PHE A 109 8.845 -1.453 -2.044 1.00 0.00 O ATOM 1720 CB PHE A 109 6.514 0.892 -1.187 1.00 0.00 C ATOM 1721 CG PHE A 109 6.562 0.172 0.125 1.00 0.00 C ATOM 1722 CD1 PHE A 109 7.468 0.546 1.102 1.00 0.00 C ATOM 1723 CD2 PHE A 109 5.691 -0.871 0.384 1.00 0.00 C ATOM 1724 CE1 PHE A 109 7.506 -0.110 2.316 1.00 0.00 C ATOM 1725 CE2 PHE A 109 5.724 -1.531 1.594 1.00 0.00 C ATOM 1726 CZ PHE A 109 6.632 -1.149 2.561 1.00 0.00 C ATOM 0 H PHE A 109 6.794 2.076 -3.282 1.00 0.00 H new ATOM 0 HA PHE A 109 8.644 0.970 -1.504 1.00 0.00 H new ATOM 0 HB2 PHE A 109 6.391 1.959 -1.000 1.00 0.00 H new ATOM 0 HB3 PHE A 109 5.634 0.561 -1.739 1.00 0.00 H new ATOM 0 HD1 PHE A 109 8.152 1.360 0.913 1.00 0.00 H new ATOM 0 HD2 PHE A 109 4.978 -1.171 -0.369 1.00 0.00 H new ATOM 0 HE1 PHE A 109 8.218 0.189 3.071 1.00 0.00 H new ATOM 0 HE2 PHE A 109 5.041 -2.345 1.785 1.00 0.00 H new ATOM 0 HZ PHE A 109 6.658 -1.664 3.510 1.00 0.00 H new ATOM 1736 N LEU A 110 6.913 -1.292 -3.187 1.00 0.00 N ATOM 1737 CA LEU A 110 6.920 -2.686 -3.616 1.00 0.00 C ATOM 1738 C LEU A 110 8.231 -3.034 -4.313 1.00 0.00 C ATOM 1739 O LEU A 110 8.669 -4.183 -4.298 1.00 0.00 O ATOM 1740 CB LEU A 110 5.736 -2.957 -4.548 1.00 0.00 C ATOM 1741 CG LEU A 110 4.395 -3.196 -3.847 1.00 0.00 C ATOM 1742 CD1 LEU A 110 4.133 -2.116 -2.808 1.00 0.00 C ATOM 1743 CD2 LEU A 110 3.265 -3.241 -4.862 1.00 0.00 C ATOM 0 H LEU A 110 6.111 -0.755 -3.516 1.00 0.00 H new ATOM 0 HA LEU A 110 6.827 -3.317 -2.732 1.00 0.00 H new ATOM 0 HB2 LEU A 110 5.627 -2.111 -5.226 1.00 0.00 H new ATOM 0 HB3 LEU A 110 5.968 -3.829 -5.160 1.00 0.00 H new ATOM 0 HG LEU A 110 4.442 -4.159 -3.338 1.00 0.00 H new ATOM 0 HD11 LEU A 110 3.176 -2.304 -2.321 1.00 0.00 H new ATOM 0 HD12 LEU A 110 4.928 -2.128 -2.062 1.00 0.00 H new ATOM 0 HD13 LEU A 110 4.107 -1.141 -3.295 1.00 0.00 H new ATOM 0 HD21 LEU A 110 2.320 -3.412 -4.347 1.00 0.00 H new ATOM 0 HD22 LEU A 110 3.220 -2.293 -5.399 1.00 0.00 H new ATOM 0 HD23 LEU A 110 3.444 -4.051 -5.570 1.00 0.00 H new ATOM 1755 N VAL A 111 8.853 -2.028 -4.918 1.00 0.00 N ATOM 1756 CA VAL A 111 10.117 -2.220 -5.617 1.00 0.00 C ATOM 1757 C VAL A 111 11.303 -1.938 -4.694 1.00 0.00 C ATOM 1758 O VAL A 111 12.398 -2.460 -4.900 1.00 0.00 O ATOM 1759 CB VAL A 111 10.209 -1.307 -6.856 1.00 0.00 C ATOM 1760 CG1 VAL A 111 11.534 -1.506 -7.579 1.00 0.00 C ATOM 1761 CG2 VAL A 111 9.040 -1.566 -7.793 1.00 0.00 C ATOM 0 H VAL A 111 8.502 -1.071 -4.938 1.00 0.00 H new ATOM 0 HA VAL A 111 10.154 -3.261 -5.938 1.00 0.00 H new ATOM 0 HB VAL A 111 10.161 -0.270 -6.522 1.00 0.00 H new ATOM 0 HG11 VAL A 111 11.575 -0.851 -8.449 1.00 0.00 H new ATOM 0 HG12 VAL A 111 12.356 -1.266 -6.905 1.00 0.00 H new ATOM 0 HG13 VAL A 111 11.620 -2.544 -7.901 1.00 0.00 H new ATOM 0 HG21 VAL A 111 9.119 -0.914 -8.663 1.00 0.00 H new ATOM 0 HG22 VAL A 111 9.057 -2.607 -8.117 1.00 0.00 H new ATOM 0 HG23 VAL A 111 8.104 -1.364 -7.272 1.00 0.00 H new ATOM 1771 N GLU A 112 11.077 -1.107 -3.681 1.00 0.00 N ATOM 1772 CA GLU A 112 12.127 -0.753 -2.731 1.00 0.00 C ATOM 1773 C GLU A 112 12.327 -1.862 -1.703 1.00 0.00 C ATOM 1774 O GLU A 112 13.455 -2.270 -1.427 1.00 0.00 O ATOM 1775 CB GLU A 112 11.783 0.558 -2.022 1.00 0.00 C ATOM 1776 CG GLU A 112 11.883 1.780 -2.921 1.00 0.00 C ATOM 1777 CD GLU A 112 13.120 2.611 -2.642 1.00 0.00 C ATOM 1778 OE1 GLU A 112 13.520 2.700 -1.461 1.00 0.00 O ATOM 1779 OE2 GLU A 112 13.689 3.171 -3.602 1.00 0.00 O ATOM 0 H GLU A 112 10.176 -0.666 -3.497 1.00 0.00 H new ATOM 0 HA GLU A 112 13.056 -0.624 -3.287 1.00 0.00 H new ATOM 0 HB2 GLU A 112 10.770 0.492 -1.624 1.00 0.00 H new ATOM 0 HB3 GLU A 112 12.452 0.688 -1.171 1.00 0.00 H new ATOM 0 HG2 GLU A 112 11.893 1.460 -3.963 1.00 0.00 H new ATOM 0 HG3 GLU A 112 10.996 2.399 -2.786 1.00 0.00 H new ATOM 1786 N ILE A 113 11.224 -2.343 -1.139 1.00 0.00 N ATOM 1787 CA ILE A 113 11.278 -3.405 -0.142 1.00 0.00 C ATOM 1788 C ILE A 113 11.338 -4.785 -0.798 1.00 0.00 C ATOM 1789 O ILE A 113 11.378 -5.805 -0.110 1.00 0.00 O ATOM 1790 CB ILE A 113 10.057 -3.348 0.804 1.00 0.00 C ATOM 1791 CG1 ILE A 113 8.796 -3.855 0.093 1.00 0.00 C ATOM 1792 CG2 ILE A 113 9.845 -1.929 1.311 1.00 0.00 C ATOM 1793 CD1 ILE A 113 7.560 -3.851 0.964 1.00 0.00 C ATOM 0 H ILE A 113 10.283 -2.014 -1.355 1.00 0.00 H new ATOM 0 HA ILE A 113 12.188 -3.247 0.437 1.00 0.00 H new ATOM 0 HB ILE A 113 10.254 -3.997 1.657 1.00 0.00 H new ATOM 0 HG12 ILE A 113 8.612 -3.236 -0.785 1.00 0.00 H new ATOM 0 HG13 ILE A 113 8.974 -4.869 -0.264 1.00 0.00 H new ATOM 0 HG21 ILE A 113 8.982 -1.905 1.976 1.00 0.00 H new ATOM 0 HG22 ILE A 113 10.731 -1.601 1.855 1.00 0.00 H new ATOM 0 HG23 ILE A 113 9.671 -1.263 0.466 1.00 0.00 H new ATOM 0 HD11 ILE A 113 6.710 -4.223 0.391 1.00 0.00 H new ATOM 0 HD12 ILE A 113 7.723 -4.493 1.830 1.00 0.00 H new ATOM 0 HD13 ILE A 113 7.355 -2.835 1.300 1.00 0.00 H new ATOM 1805 N GLY A 114 11.329 -4.814 -2.130 1.00 0.00 N ATOM 1806 CA GLY A 114 11.365 -6.079 -2.839 1.00 0.00 C ATOM 1807 C GLY A 114 10.059 -6.835 -2.702 1.00 0.00 C ATOM 1808 O GLY A 114 10.039 -8.065 -2.707 1.00 0.00 O ATOM 0 H GLY A 114 11.298 -3.987 -2.726 1.00 0.00 H new ATOM 0 HA2 GLY A 114 11.573 -5.899 -3.894 1.00 0.00 H new ATOM 0 HA3 GLY A 114 12.181 -6.690 -2.453 1.00 0.00 H new ATOM 1812 N LEU A 115 8.966 -6.088 -2.571 1.00 0.00 N ATOM 1813 CA LEU A 115 7.642 -6.681 -2.421 1.00 0.00 C ATOM 1814 C LEU A 115 7.141 -7.253 -3.742 1.00 0.00 C ATOM 1815 O LEU A 115 7.052 -8.469 -3.909 1.00 0.00 O ATOM 1816 CB LEU A 115 6.653 -5.636 -1.894 1.00 0.00 C ATOM 1817 CG LEU A 115 5.647 -6.152 -0.865 1.00 0.00 C ATOM 1818 CD1 LEU A 115 6.357 -6.907 0.250 1.00 0.00 C ATOM 1819 CD2 LEU A 115 4.825 -5.007 -0.294 1.00 0.00 C ATOM 0 H LEU A 115 8.972 -5.068 -2.566 1.00 0.00 H new ATOM 0 HA LEU A 115 7.718 -7.498 -1.704 1.00 0.00 H new ATOM 0 HB2 LEU A 115 7.218 -4.818 -1.448 1.00 0.00 H new ATOM 0 HB3 LEU A 115 6.104 -5.221 -2.739 1.00 0.00 H new ATOM 0 HG LEU A 115 4.970 -6.841 -1.369 1.00 0.00 H new ATOM 0 HD11 LEU A 115 5.623 -7.266 0.971 1.00 0.00 H new ATOM 0 HD12 LEU A 115 6.896 -7.755 -0.171 1.00 0.00 H new ATOM 0 HD13 LEU A 115 7.061 -6.241 0.749 1.00 0.00 H new ATOM 0 HD21 LEU A 115 4.116 -5.397 0.436 1.00 0.00 H new ATOM 0 HD22 LEU A 115 5.487 -4.290 0.191 1.00 0.00 H new ATOM 0 HD23 LEU A 115 4.282 -4.512 -1.099 1.00 0.00 H new ATOM 1831 N ALA A 116 6.811 -6.369 -4.676 1.00 0.00 N ATOM 1832 CA ALA A 116 6.315 -6.789 -5.980 1.00 0.00 C ATOM 1833 C ALA A 116 7.450 -6.884 -6.993 1.00 0.00 C ATOM 1834 O ALA A 116 8.624 -6.797 -6.635 1.00 0.00 O ATOM 1835 CB ALA A 116 5.245 -5.827 -6.472 1.00 0.00 C ATOM 0 H ALA A 116 6.878 -5.358 -4.555 1.00 0.00 H new ATOM 0 HA ALA A 116 5.875 -7.780 -5.872 1.00 0.00 H new ATOM 0 HB1 ALA A 116 4.883 -6.153 -7.447 1.00 0.00 H new ATOM 0 HB2 ALA A 116 4.416 -5.812 -5.764 1.00 0.00 H new ATOM 0 HB3 ALA A 116 5.667 -4.826 -6.558 1.00 0.00 H new ATOM 1841 N LYS A 117 7.091 -7.059 -8.260 1.00 0.00 N ATOM 1842 CA LYS A 117 8.079 -7.162 -9.327 1.00 0.00 C ATOM 1843 C LYS A 117 7.785 -6.157 -10.434 1.00 0.00 C ATOM 1844 O LYS A 117 6.643 -5.737 -10.617 1.00 0.00 O ATOM 1845 CB LYS A 117 8.095 -8.579 -9.901 1.00 0.00 C ATOM 1846 CG LYS A 117 8.921 -9.559 -9.082 1.00 0.00 C ATOM 1847 CD LYS A 117 10.285 -9.802 -9.710 1.00 0.00 C ATOM 1848 CE LYS A 117 11.209 -8.612 -9.514 1.00 0.00 C ATOM 1849 NZ LYS A 117 12.623 -9.034 -9.309 1.00 0.00 N ATOM 0 H LYS A 117 6.123 -7.132 -8.573 1.00 0.00 H new ATOM 0 HA LYS A 117 9.059 -6.938 -8.906 1.00 0.00 H new ATOM 0 HB2 LYS A 117 7.071 -8.947 -9.967 1.00 0.00 H new ATOM 0 HB3 LYS A 117 8.488 -8.546 -10.917 1.00 0.00 H new ATOM 0 HG2 LYS A 117 9.049 -9.172 -8.071 1.00 0.00 H new ATOM 0 HG3 LYS A 117 8.385 -10.504 -8.996 1.00 0.00 H new ATOM 0 HD2 LYS A 117 10.736 -10.691 -9.269 1.00 0.00 H new ATOM 0 HD3 LYS A 117 10.166 -10.000 -10.775 1.00 0.00 H new ATOM 0 HE2 LYS A 117 11.148 -7.958 -10.384 1.00 0.00 H new ATOM 0 HE3 LYS A 117 10.875 -8.031 -8.654 1.00 0.00 H new ATOM 0 HZ1 LYS A 117 13.221 -8.193 -9.179 1.00 0.00 H new ATOM 0 HZ2 LYS A 117 12.686 -9.638 -8.464 1.00 0.00 H new ATOM 0 HZ3 LYS A 117 12.950 -9.566 -10.140 1.00 0.00 H new ATOM 1863 N ASP A 118 8.823 -5.773 -11.171 1.00 0.00 N ATOM 1864 CA ASP A 118 8.668 -4.816 -12.262 1.00 0.00 C ATOM 1865 C ASP A 118 7.638 -5.308 -13.271 1.00 0.00 C ATOM 1866 O ASP A 118 7.002 -4.510 -13.961 1.00 0.00 O ATOM 1867 CB ASP A 118 10.008 -4.557 -12.949 1.00 0.00 C ATOM 1868 CG ASP A 118 10.799 -5.830 -13.186 1.00 0.00 C ATOM 1869 OD1 ASP A 118 10.171 -6.890 -13.392 1.00 0.00 O ATOM 1870 OD2 ASP A 118 12.046 -5.768 -13.165 1.00 0.00 O ATOM 0 H ASP A 118 9.777 -6.108 -11.034 1.00 0.00 H new ATOM 0 HA ASP A 118 8.312 -3.877 -11.839 1.00 0.00 H new ATOM 0 HB2 ASP A 118 9.833 -4.060 -13.903 1.00 0.00 H new ATOM 0 HB3 ASP A 118 10.599 -3.875 -12.338 1.00 0.00 H new ATOM 1875 N ASP A 119 7.458 -6.622 -13.335 1.00 0.00 N ATOM 1876 CA ASP A 119 6.482 -7.211 -14.238 1.00 0.00 C ATOM 1877 C ASP A 119 5.082 -7.039 -13.662 1.00 0.00 C ATOM 1878 O ASP A 119 4.090 -7.054 -14.391 1.00 0.00 O ATOM 1879 CB ASP A 119 6.783 -8.694 -14.460 1.00 0.00 C ATOM 1880 CG ASP A 119 7.640 -8.933 -15.687 1.00 0.00 C ATOM 1881 OD1 ASP A 119 8.355 -7.998 -16.103 1.00 0.00 O ATOM 1882 OD2 ASP A 119 7.595 -10.056 -16.232 1.00 0.00 O ATOM 0 H ASP A 119 7.975 -7.297 -12.772 1.00 0.00 H new ATOM 0 HA ASP A 119 6.539 -6.702 -15.200 1.00 0.00 H new ATOM 0 HB2 ASP A 119 7.291 -9.094 -13.582 1.00 0.00 H new ATOM 0 HB3 ASP A 119 5.846 -9.241 -14.563 1.00 0.00 H new ATOM 1887 N GLN A 120 5.016 -6.868 -12.343 1.00 0.00 N ATOM 1888 CA GLN A 120 3.748 -6.685 -11.652 1.00 0.00 C ATOM 1889 C GLN A 120 3.568 -5.234 -11.205 1.00 0.00 C ATOM 1890 O GLN A 120 2.678 -4.928 -10.413 1.00 0.00 O ATOM 1891 CB GLN A 120 3.674 -7.601 -10.434 1.00 0.00 C ATOM 1892 CG GLN A 120 4.081 -9.037 -10.720 1.00 0.00 C ATOM 1893 CD GLN A 120 3.599 -10.002 -9.653 1.00 0.00 C ATOM 1894 OE1 GLN A 120 3.552 -9.538 -8.408 1.00 0.00 O flip ATOM 1895 NE2 GLN A 120 3.271 -11.153 -9.944 1.00 0.00 N flip ATOM 0 H GLN A 120 5.832 -6.853 -11.732 1.00 0.00 H new ATOM 0 HA GLN A 120 2.950 -6.938 -12.350 1.00 0.00 H new ATOM 0 HB2 GLN A 120 4.317 -7.200 -9.650 1.00 0.00 H new ATOM 0 HB3 GLN A 120 2.655 -7.592 -10.046 1.00 0.00 H new ATOM 0 HG2 GLN A 120 3.679 -9.339 -11.687 1.00 0.00 H new ATOM 0 HG3 GLN A 120 5.167 -9.095 -10.794 1.00 0.00 H new ATOM 0 HE21 GLN A 120 3.322 -11.468 -10.913 1.00 0.00 H new ATOM 0 HE22 GLN A 120 2.948 -11.791 -9.216 1.00 0.00 H new ATOM 1904 N LEU A 121 4.416 -4.344 -11.715 1.00 0.00 N ATOM 1905 CA LEU A 121 4.341 -2.930 -11.361 1.00 0.00 C ATOM 1906 C LEU A 121 3.268 -2.228 -12.175 1.00 0.00 C ATOM 1907 O LEU A 121 3.540 -1.268 -12.897 1.00 0.00 O ATOM 1908 CB LEU A 121 5.695 -2.249 -11.577 1.00 0.00 C ATOM 1909 CG LEU A 121 6.667 -2.365 -10.403 1.00 0.00 C ATOM 1910 CD1 LEU A 121 8.036 -1.809 -10.780 1.00 0.00 C ATOM 1911 CD2 LEU A 121 6.114 -1.646 -9.179 1.00 0.00 C ATOM 0 H LEU A 121 5.160 -4.576 -12.372 1.00 0.00 H new ATOM 0 HA LEU A 121 4.078 -2.859 -10.306 1.00 0.00 H new ATOM 0 HB2 LEU A 121 6.164 -2.678 -12.462 1.00 0.00 H new ATOM 0 HB3 LEU A 121 5.525 -1.193 -11.786 1.00 0.00 H new ATOM 0 HG LEU A 121 6.784 -3.421 -10.158 1.00 0.00 H new ATOM 0 HD11 LEU A 121 8.713 -1.901 -9.930 1.00 0.00 H new ATOM 0 HD12 LEU A 121 8.436 -2.369 -11.625 1.00 0.00 H new ATOM 0 HD13 LEU A 121 7.939 -0.759 -11.054 1.00 0.00 H new ATOM 0 HD21 LEU A 121 6.819 -1.739 -8.353 1.00 0.00 H new ATOM 0 HD22 LEU A 121 5.966 -0.592 -9.412 1.00 0.00 H new ATOM 0 HD23 LEU A 121 5.161 -2.092 -8.895 1.00 0.00 H new ATOM 1923 N LYS A 122 2.049 -2.729 -12.063 1.00 0.00 N ATOM 1924 CA LYS A 122 0.918 -2.173 -12.794 1.00 0.00 C ATOM 1925 C LYS A 122 0.799 -0.654 -12.623 1.00 0.00 C ATOM 1926 O LYS A 122 1.107 0.103 -13.542 1.00 0.00 O ATOM 1927 CB LYS A 122 -0.364 -2.870 -12.360 1.00 0.00 C ATOM 1928 CG LYS A 122 -0.820 -3.908 -13.364 1.00 0.00 C ATOM 1929 CD LYS A 122 -1.050 -3.278 -14.727 1.00 0.00 C ATOM 1930 CE LYS A 122 -0.009 -3.732 -15.737 1.00 0.00 C ATOM 1931 NZ LYS A 122 -0.445 -3.477 -17.137 1.00 0.00 N ATOM 0 H LYS A 122 1.815 -3.525 -11.469 1.00 0.00 H new ATOM 0 HA LYS A 122 1.088 -2.352 -13.856 1.00 0.00 H new ATOM 0 HB2 LYS A 122 -0.206 -3.347 -11.393 1.00 0.00 H new ATOM 0 HB3 LYS A 122 -1.151 -2.128 -12.225 1.00 0.00 H new ATOM 0 HG2 LYS A 122 -0.071 -4.696 -13.445 1.00 0.00 H new ATOM 0 HG3 LYS A 122 -1.740 -4.377 -13.016 1.00 0.00 H new ATOM 0 HD2 LYS A 122 -2.045 -3.541 -15.086 1.00 0.00 H new ATOM 0 HD3 LYS A 122 -1.020 -2.192 -14.636 1.00 0.00 H new ATOM 0 HE2 LYS A 122 0.930 -3.212 -15.549 1.00 0.00 H new ATOM 0 HE3 LYS A 122 0.184 -4.797 -15.605 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 0.293 -3.801 -17.795 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 -1.328 -3.994 -17.325 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 -0.605 -2.458 -17.271 1.00 0.00 H new ATOM 1945 N VAL A 123 0.362 -0.219 -11.440 1.00 0.00 N ATOM 1946 CA VAL A 123 0.206 1.198 -11.119 1.00 0.00 C ATOM 1947 C VAL A 123 -0.489 1.975 -12.236 1.00 0.00 C ATOM 1948 O VAL A 123 0.100 2.264 -13.277 1.00 0.00 O ATOM 1949 CB VAL A 123 1.563 1.847 -10.764 1.00 0.00 C ATOM 1950 CG1 VAL A 123 2.689 1.244 -11.584 1.00 0.00 C ATOM 1951 CG2 VAL A 123 1.520 3.362 -10.924 1.00 0.00 C ATOM 0 H VAL A 123 0.106 -0.843 -10.675 1.00 0.00 H new ATOM 0 HA VAL A 123 -0.439 1.248 -10.242 1.00 0.00 H new ATOM 0 HB VAL A 123 1.760 1.635 -9.713 1.00 0.00 H new ATOM 0 HG11 VAL A 123 3.632 1.720 -11.313 1.00 0.00 H new ATOM 0 HG12 VAL A 123 2.752 0.174 -11.384 1.00 0.00 H new ATOM 0 HG13 VAL A 123 2.493 1.404 -12.644 1.00 0.00 H new ATOM 0 HG21 VAL A 123 2.492 3.783 -10.666 1.00 0.00 H new ATOM 0 HG22 VAL A 123 1.279 3.612 -11.957 1.00 0.00 H new ATOM 0 HG23 VAL A 123 0.758 3.776 -10.264 1.00 0.00 H new ATOM 1961 N HIS A 124 -1.754 2.313 -11.995 1.00 0.00 N ATOM 1962 CA HIS A 124 -2.551 3.058 -12.963 1.00 0.00 C ATOM 1963 C HIS A 124 -3.004 4.395 -12.389 1.00 0.00 C ATOM 1964 O HIS A 124 -2.594 5.457 -12.857 1.00 0.00 O ATOM 1965 CB HIS A 124 -3.771 2.237 -13.374 1.00 0.00 C ATOM 1966 CG HIS A 124 -3.443 0.813 -13.684 1.00 0.00 C ATOM 1967 ND1 HIS A 124 -3.482 0.291 -14.960 1.00 0.00 N ATOM 1968 CD2 HIS A 124 -3.051 -0.201 -12.877 1.00 0.00 C ATOM 1969 CE1 HIS A 124 -3.127 -0.979 -14.923 1.00 0.00 C ATOM 1970 NE2 HIS A 124 -2.860 -1.301 -13.671 1.00 0.00 N ATOM 0 H HIS A 124 -2.249 2.081 -11.134 1.00 0.00 H new ATOM 0 HA HIS A 124 -1.928 3.252 -13.836 1.00 0.00 H new ATOM 0 HB2 HIS A 124 -4.509 2.267 -12.572 1.00 0.00 H new ATOM 0 HB3 HIS A 124 -4.232 2.696 -14.249 1.00 0.00 H new ATOM 0 HD1 HIS A 124 -3.744 0.806 -15.800 1.00 0.00 H new ATOM 0 HD2 HIS A 124 -2.914 -0.152 -11.807 1.00 0.00 H new ATOM 0 HE1 HIS A 124 -3.065 -1.643 -15.773 1.00 0.00 H new ATOM 1979 N GLY A 125 -3.860 4.331 -11.375 1.00 0.00 N ATOM 1980 CA GLY A 125 -4.369 5.539 -10.753 1.00 0.00 C ATOM 1981 C GLY A 125 -5.875 5.655 -10.885 1.00 0.00 C ATOM 1982 O GLY A 125 -6.604 4.706 -10.600 1.00 0.00 O ATOM 0 H GLY A 125 -4.211 3.462 -10.972 1.00 0.00 H new ATOM 0 HA2 GLY A 125 -4.096 5.546 -9.698 1.00 0.00 H new ATOM 0 HA3 GLY A 125 -3.897 6.409 -11.210 1.00 0.00 H new ATOM 1986 N PHE A 126 -6.340 6.819 -11.321 1.00 0.00 N ATOM 1987 CA PHE A 126 -7.770 7.051 -11.492 1.00 0.00 C ATOM 1988 C PHE A 126 -8.022 8.283 -12.357 1.00 0.00 C ATOM 1989 O PHE A 126 -8.803 8.175 -13.325 1.00 0.00 O ATOM 1990 CB PHE A 126 -8.450 7.212 -10.128 1.00 0.00 C ATOM 1991 CG PHE A 126 -8.143 8.516 -9.448 1.00 0.00 C ATOM 1992 CD1 PHE A 126 -6.834 8.879 -9.176 1.00 0.00 C ATOM 1993 CD2 PHE A 126 -9.163 9.379 -9.085 1.00 0.00 C ATOM 1994 CE1 PHE A 126 -6.548 10.079 -8.554 1.00 0.00 C ATOM 1995 CE2 PHE A 126 -8.884 10.580 -8.463 1.00 0.00 C ATOM 1996 CZ PHE A 126 -7.575 10.931 -8.197 1.00 0.00 C ATOM 1997 OXT PHE A 126 -7.436 9.345 -12.059 1.00 0.00 O ATOM 0 H PHE A 126 -5.750 7.615 -11.562 1.00 0.00 H new ATOM 0 HA PHE A 126 -8.197 6.185 -11.998 1.00 0.00 H new ATOM 0 HB2 PHE A 126 -9.529 7.126 -10.258 1.00 0.00 H new ATOM 0 HB3 PHE A 126 -8.140 6.393 -9.479 1.00 0.00 H new ATOM 0 HD1 PHE A 126 -6.028 8.216 -9.453 1.00 0.00 H new ATOM 0 HD2 PHE A 126 -10.189 9.110 -9.291 1.00 0.00 H new ATOM 0 HE1 PHE A 126 -5.523 10.350 -8.347 1.00 0.00 H new ATOM 0 HE2 PHE A 126 -9.689 11.244 -8.185 1.00 0.00 H new ATOM 0 HZ PHE A 126 -7.355 11.870 -7.711 1.00 0.00 H new