USER MOD reduce.3.24.130724 H: found=0, std=0, add=444, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 446 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 Single : A 40 THR OG1 : rot 50:sc= 0.249 USER MOD Single : A 42 CYS SG : rot 97:sc= 0.114 USER MOD Single : A 45 MET CE :methyl 151:sc= -0.764 (180deg=-1.44) USER MOD Single : A 46 THR OG1 : rot 180:sc= -0.994 USER MOD Single : A 53 SER OG : rot 64:sc= 1.06 USER MOD Single : A 79 CYS SG : rot -39:sc= -0.167 USER MOD Single : A 81 CYS SG : rot 180:sc= -1.83! USER MOD Single : A 83 SER OG : rot 180:sc= -0.0621 USER MOD Single : A 86 GLN : amide:sc= -0.492 K(o=-0.49,f=-11!) USER MOD Single : A 93 MET CE :methyl -164:sc= -0.0921 (180deg=-0.421) USER MOD Single : A 100 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 101 SER OG : rot 130:sc= -0.438 USER MOD Single : A 102 THR OG1 : rot 122:sc= 0.29 USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 SER OG : rot 180:sc= 0 USER MOD Single : A 109 TYR OH : rot 180:sc= 0 USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD Single : A 116 GLN : amide:sc= -0.195 K(o=-0.2,f=-0.98) USER MOD Single : A 118 HIS : no HD1:sc= -0.463 X(o=-0.46,f=-0.79) USER MOD ----------------------------------------------------------------- ATOM 567 N THR A 40 6.612 0.541 -11.426 1.00 0.00 N ATOM 568 CA THR A 40 5.564 -0.502 -11.432 1.00 0.00 C ATOM 569 C THR A 40 5.158 -0.895 -9.995 1.00 0.00 C ATOM 570 O THR A 40 5.898 -1.597 -9.283 1.00 0.00 O ATOM 571 CB THR A 40 6.040 -1.771 -12.202 1.00 0.00 C ATOM 572 OG1 THR A 40 7.287 -2.226 -11.664 1.00 0.00 O ATOM 573 CG2 THR A 40 6.197 -1.532 -13.703 1.00 0.00 C ATOM 0 HA THR A 40 4.696 -0.082 -11.941 1.00 0.00 H new ATOM 0 HB THR A 40 5.266 -2.527 -12.071 1.00 0.00 H new ATOM 0 HG1 THR A 40 7.217 -2.295 -10.689 1.00 0.00 H new ATOM 0 HG21 THR A 40 6.530 -2.451 -14.185 1.00 0.00 H new ATOM 0 HG22 THR A 40 5.239 -1.228 -14.125 1.00 0.00 H new ATOM 0 HG23 THR A 40 6.934 -0.746 -13.871 1.00 0.00 H new ATOM 581 N VAL A 41 3.992 -0.379 -9.558 1.00 0.00 N ATOM 582 CA VAL A 41 3.341 -0.768 -8.292 1.00 0.00 C ATOM 583 C VAL A 41 1.829 -0.985 -8.539 1.00 0.00 C ATOM 584 O VAL A 41 1.069 -0.016 -8.688 1.00 0.00 O ATOM 585 CB VAL A 41 3.511 0.304 -7.142 1.00 0.00 C ATOM 586 CG1 VAL A 41 2.984 -0.255 -5.785 1.00 0.00 C ATOM 587 CG2 VAL A 41 4.970 0.809 -7.022 1.00 0.00 C ATOM 0 H VAL A 41 3.471 0.326 -10.079 1.00 0.00 H new ATOM 0 HA VAL A 41 3.831 -1.684 -7.960 1.00 0.00 H new ATOM 0 HB VAL A 41 2.906 1.170 -7.411 1.00 0.00 H new ATOM 0 HG11 VAL A 41 3.110 0.498 -5.007 1.00 0.00 H new ATOM 0 HG12 VAL A 41 1.927 -0.505 -5.880 1.00 0.00 H new ATOM 0 HG13 VAL A 41 3.546 -1.150 -5.518 1.00 0.00 H new ATOM 0 HG21 VAL A 41 5.036 1.543 -6.219 1.00 0.00 H new ATOM 0 HG22 VAL A 41 5.629 -0.031 -6.801 1.00 0.00 H new ATOM 0 HG23 VAL A 41 5.274 1.271 -7.962 1.00 0.00 H new ATOM 597 N CYS A 42 1.399 -2.250 -8.635 1.00 0.00 N ATOM 598 CA CYS A 42 -0.034 -2.598 -8.655 1.00 0.00 C ATOM 599 C CYS A 42 -0.400 -3.260 -7.311 1.00 0.00 C ATOM 600 O CYS A 42 -0.107 -4.436 -7.078 1.00 0.00 O ATOM 601 CB CYS A 42 -0.341 -3.535 -9.843 1.00 0.00 C ATOM 602 SG CYS A 42 0.139 -2.863 -11.453 1.00 0.00 S ATOM 0 H CYS A 42 2.023 -3.054 -8.700 1.00 0.00 H new ATOM 0 HA CYS A 42 -0.636 -1.699 -8.785 1.00 0.00 H new ATOM 0 HB2 CYS A 42 0.175 -4.483 -9.688 1.00 0.00 H new ATOM 0 HB3 CYS A 42 -1.409 -3.752 -9.855 1.00 0.00 H new ATOM 0 HG CYS A 42 1.306 -3.328 -11.787 1.00 0.00 H new ATOM 608 N ALA A 43 -1.080 -2.491 -6.453 1.00 0.00 N ATOM 609 CA ALA A 43 -1.407 -2.879 -5.065 1.00 0.00 C ATOM 610 C ALA A 43 -2.805 -2.365 -4.698 1.00 0.00 C ATOM 611 O ALA A 43 -3.203 -1.282 -5.149 1.00 0.00 O ATOM 612 CB ALA A 43 -0.343 -2.305 -4.110 1.00 0.00 C ATOM 0 H ALA A 43 -1.427 -1.565 -6.702 1.00 0.00 H new ATOM 0 HA ALA A 43 -1.408 -3.965 -4.975 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -0.582 -2.590 -3.085 1.00 0.00 H new ATOM 0 HB2 ALA A 43 0.637 -2.700 -4.377 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -0.330 -1.218 -4.191 1.00 0.00 H new ATOM 618 N GLU A 44 -3.567 -3.131 -3.906 1.00 0.00 N ATOM 619 CA GLU A 44 -4.925 -2.718 -3.493 1.00 0.00 C ATOM 620 C GLU A 44 -4.916 -2.197 -2.043 1.00 0.00 C ATOM 621 O GLU A 44 -4.769 -2.979 -1.097 1.00 0.00 O ATOM 622 CB GLU A 44 -5.941 -3.893 -3.616 1.00 0.00 C ATOM 623 CG GLU A 44 -5.869 -4.698 -4.935 1.00 0.00 C ATOM 624 CD GLU A 44 -4.931 -5.926 -4.861 1.00 0.00 C ATOM 625 OE1 GLU A 44 -3.715 -5.801 -5.144 1.00 0.00 O ATOM 626 OE2 GLU A 44 -5.412 -7.018 -4.488 1.00 0.00 O ATOM 0 H GLU A 44 -3.273 -4.036 -3.538 1.00 0.00 H new ATOM 0 HA GLU A 44 -5.239 -1.918 -4.164 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -5.781 -4.578 -2.783 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -6.949 -3.492 -3.510 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -6.871 -5.033 -5.202 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -5.529 -4.040 -5.735 1.00 0.00 H new ATOM 633 N MET A 45 -5.061 -0.876 -1.879 1.00 0.00 N ATOM 634 CA MET A 45 -5.297 -0.258 -0.560 1.00 0.00 C ATOM 635 C MET A 45 -6.814 -0.152 -0.307 1.00 0.00 C ATOM 636 O MET A 45 -7.565 0.217 -1.213 1.00 0.00 O ATOM 637 CB MET A 45 -4.628 1.135 -0.486 1.00 0.00 C ATOM 638 CG MET A 45 -3.121 1.125 -0.824 1.00 0.00 C ATOM 639 SD MET A 45 -2.415 2.781 -0.952 1.00 0.00 S ATOM 640 CE MET A 45 -2.819 3.440 0.647 1.00 0.00 C ATOM 0 H MET A 45 -5.019 -0.207 -2.648 1.00 0.00 H new ATOM 0 HA MET A 45 -4.852 -0.883 0.214 1.00 0.00 H new ATOM 0 HB2 MET A 45 -5.140 1.810 -1.172 1.00 0.00 H new ATOM 0 HB3 MET A 45 -4.762 1.539 0.517 1.00 0.00 H new ATOM 0 HG2 MET A 45 -2.586 0.566 -0.056 1.00 0.00 H new ATOM 0 HG3 MET A 45 -2.969 0.598 -1.766 1.00 0.00 H new ATOM 0 HE1 MET A 45 -2.073 4.180 0.935 1.00 0.00 H new ATOM 0 HE2 MET A 45 -3.801 3.911 0.609 1.00 0.00 H new ATOM 0 HE3 MET A 45 -2.831 2.634 1.380 1.00 0.00 H new ATOM 650 N THR A 46 -7.257 -0.465 0.922 1.00 0.00 N ATOM 651 CA THR A 46 -8.696 -0.529 1.266 1.00 0.00 C ATOM 652 C THR A 46 -9.266 0.861 1.587 1.00 0.00 C ATOM 653 O THR A 46 -8.532 1.790 1.950 1.00 0.00 O ATOM 654 CB THR A 46 -8.966 -1.459 2.497 1.00 0.00 C ATOM 655 OG1 THR A 46 -8.276 -0.955 3.652 1.00 0.00 O ATOM 656 CG2 THR A 46 -8.538 -2.913 2.231 1.00 0.00 C ATOM 0 H THR A 46 -6.637 -0.680 1.703 1.00 0.00 H new ATOM 0 HA THR A 46 -9.191 -0.938 0.385 1.00 0.00 H new ATOM 0 HB THR A 46 -10.041 -1.459 2.676 1.00 0.00 H new ATOM 0 HG1 THR A 46 -8.450 -1.540 4.419 1.00 0.00 H new ATOM 0 HG21 THR A 46 -8.744 -3.520 3.112 1.00 0.00 H new ATOM 0 HG22 THR A 46 -9.095 -3.307 1.381 1.00 0.00 H new ATOM 0 HG23 THR A 46 -7.471 -2.944 2.011 1.00 0.00 H new ATOM 664 N GLU A 47 -10.601 0.963 1.485 1.00 0.00 N ATOM 665 CA GLU A 47 -11.356 2.199 1.762 1.00 0.00 C ATOM 666 C GLU A 47 -11.167 2.663 3.220 1.00 0.00 C ATOM 667 O GLU A 47 -11.256 3.844 3.504 1.00 0.00 O ATOM 668 CB GLU A 47 -12.853 1.991 1.421 1.00 0.00 C ATOM 669 CG GLU A 47 -13.687 3.287 1.361 1.00 0.00 C ATOM 670 CD GLU A 47 -15.185 3.032 1.088 1.00 0.00 C ATOM 671 OE1 GLU A 47 -15.861 2.468 1.976 1.00 0.00 O ATOM 672 OE2 GLU A 47 -15.689 3.402 0.003 1.00 0.00 O ATOM 0 H GLU A 47 -11.194 0.182 1.205 1.00 0.00 H new ATOM 0 HA GLU A 47 -10.964 2.993 1.126 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -12.925 1.484 0.459 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -13.292 1.327 2.165 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -13.582 3.823 2.304 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -13.287 3.934 0.580 1.00 0.00 H new ATOM 679 N GLU A 48 -10.917 1.702 4.125 1.00 0.00 N ATOM 680 CA GLU A 48 -10.592 1.965 5.533 1.00 0.00 C ATOM 681 C GLU A 48 -9.437 3.006 5.685 1.00 0.00 C ATOM 682 O GLU A 48 -9.609 4.029 6.353 1.00 0.00 O ATOM 683 CB GLU A 48 -10.210 0.625 6.207 1.00 0.00 C ATOM 684 CG GLU A 48 -9.807 0.736 7.683 1.00 0.00 C ATOM 685 CD GLU A 48 -10.943 1.216 8.613 1.00 0.00 C ATOM 686 OE1 GLU A 48 -11.822 0.393 8.961 1.00 0.00 O ATOM 687 OE2 GLU A 48 -10.963 2.403 9.009 1.00 0.00 O ATOM 0 H GLU A 48 -10.936 0.709 3.894 1.00 0.00 H new ATOM 0 HA GLU A 48 -11.466 2.398 6.020 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -11.055 -0.059 6.127 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -9.384 0.179 5.653 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -9.457 -0.237 8.027 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -8.967 1.425 7.768 1.00 0.00 H new ATOM 694 N PHE A 49 -8.274 2.751 5.032 1.00 0.00 N ATOM 695 CA PHE A 49 -7.131 3.697 5.077 1.00 0.00 C ATOM 696 C PHE A 49 -7.384 4.938 4.186 1.00 0.00 C ATOM 697 O PHE A 49 -6.972 6.038 4.538 1.00 0.00 O ATOM 698 CB PHE A 49 -5.780 3.029 4.681 1.00 0.00 C ATOM 699 CG PHE A 49 -4.596 4.011 4.754 1.00 0.00 C ATOM 700 CD1 PHE A 49 -4.084 4.422 5.982 1.00 0.00 C ATOM 701 CD2 PHE A 49 -4.036 4.568 3.603 1.00 0.00 C ATOM 702 CE1 PHE A 49 -3.050 5.341 6.060 1.00 0.00 C ATOM 703 CE2 PHE A 49 -3.007 5.494 3.681 1.00 0.00 C ATOM 704 CZ PHE A 49 -2.515 5.878 4.909 1.00 0.00 C ATOM 0 H PHE A 49 -8.105 1.912 4.477 1.00 0.00 H new ATOM 0 HA PHE A 49 -7.051 4.017 6.116 1.00 0.00 H new ATOM 0 HB2 PHE A 49 -5.588 2.183 5.342 1.00 0.00 H new ATOM 0 HB3 PHE A 49 -5.857 2.632 3.669 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -4.501 4.016 6.892 1.00 0.00 H new ATOM 0 HD2 PHE A 49 -4.411 4.272 2.634 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -2.663 5.637 7.024 1.00 0.00 H new ATOM 0 HE2 PHE A 49 -2.591 5.915 2.778 1.00 0.00 H new ATOM 0 HZ PHE A 49 -1.712 6.598 4.970 1.00 0.00 H new ATOM 714 N LEU A 50 -8.043 4.755 3.030 1.00 0.00 N ATOM 715 CA LEU A 50 -8.303 5.871 2.073 1.00 0.00 C ATOM 716 C LEU A 50 -9.317 6.909 2.640 1.00 0.00 C ATOM 717 O LEU A 50 -9.278 8.085 2.267 1.00 0.00 O ATOM 718 CB LEU A 50 -8.727 5.309 0.674 1.00 0.00 C ATOM 719 CG LEU A 50 -7.559 4.912 -0.285 1.00 0.00 C ATOM 720 CD1 LEU A 50 -6.645 3.843 0.327 1.00 0.00 C ATOM 721 CD2 LEU A 50 -8.108 4.474 -1.660 1.00 0.00 C ATOM 0 H LEU A 50 -8.409 3.853 2.726 1.00 0.00 H new ATOM 0 HA LEU A 50 -7.371 6.420 1.934 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -9.356 4.433 0.832 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -9.343 6.057 0.175 1.00 0.00 H new ATOM 0 HG LEU A 50 -6.941 5.797 -0.434 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -5.848 3.600 -0.376 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -6.210 4.222 1.251 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -7.227 2.946 0.541 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -7.279 4.202 -2.313 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -8.766 3.615 -1.532 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -8.667 5.296 -2.107 1.00 0.00 H new ATOM 733 N LEU A 51 -10.206 6.463 3.546 1.00 0.00 N ATOM 734 CA LEU A 51 -11.073 7.355 4.358 1.00 0.00 C ATOM 735 C LEU A 51 -10.280 7.970 5.540 1.00 0.00 C ATOM 736 O LEU A 51 -10.527 9.107 5.921 1.00 0.00 O ATOM 737 CB LEU A 51 -12.340 6.604 4.856 1.00 0.00 C ATOM 738 CG LEU A 51 -13.384 6.219 3.758 1.00 0.00 C ATOM 739 CD1 LEU A 51 -14.579 5.456 4.373 1.00 0.00 C ATOM 740 CD2 LEU A 51 -13.855 7.461 2.965 1.00 0.00 C ATOM 0 H LEU A 51 -10.348 5.472 3.741 1.00 0.00 H new ATOM 0 HA LEU A 51 -11.407 8.173 3.720 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -12.022 5.693 5.363 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -12.838 7.226 5.600 1.00 0.00 H new ATOM 0 HG LEU A 51 -12.891 5.551 3.051 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -15.290 5.200 3.588 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -14.221 4.544 4.850 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -15.069 6.085 5.116 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -14.580 7.157 2.210 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -14.318 8.174 3.647 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -12.999 7.928 2.478 1.00 0.00 H new ATOM 752 N PHE A 52 -9.322 7.207 6.118 1.00 0.00 N ATOM 753 CA PHE A 52 -8.362 7.749 7.123 1.00 0.00 C ATOM 754 C PHE A 52 -7.480 8.868 6.492 1.00 0.00 C ATOM 755 O PHE A 52 -7.073 9.800 7.170 1.00 0.00 O ATOM 756 CB PHE A 52 -7.482 6.604 7.709 1.00 0.00 C ATOM 757 CG PHE A 52 -6.409 7.069 8.704 1.00 0.00 C ATOM 758 CD1 PHE A 52 -6.759 7.527 9.975 1.00 0.00 C ATOM 759 CD2 PHE A 52 -5.052 7.059 8.363 1.00 0.00 C ATOM 760 CE1 PHE A 52 -5.793 7.965 10.866 1.00 0.00 C ATOM 761 CE2 PHE A 52 -4.088 7.493 9.256 1.00 0.00 C ATOM 762 CZ PHE A 52 -4.459 7.944 10.507 1.00 0.00 C ATOM 0 H PHE A 52 -9.189 6.217 5.910 1.00 0.00 H new ATOM 0 HA PHE A 52 -8.930 8.192 7.942 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -8.131 5.882 8.205 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -6.994 6.081 6.886 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -7.798 7.540 10.268 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -4.752 6.707 7.387 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -6.083 8.323 11.843 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -3.045 7.479 8.974 1.00 0.00 H new ATOM 0 HZ PHE A 52 -3.707 8.280 11.205 1.00 0.00 H new ATOM 772 N SER A 53 -7.204 8.747 5.184 1.00 0.00 N ATOM 773 CA SER A 53 -6.453 9.767 4.409 1.00 0.00 C ATOM 774 C SER A 53 -7.348 10.992 4.103 1.00 0.00 C ATOM 775 O SER A 53 -6.916 12.147 4.208 1.00 0.00 O ATOM 776 CB SER A 53 -5.949 9.153 3.082 1.00 0.00 C ATOM 777 OG SER A 53 -5.155 7.996 3.301 1.00 0.00 O ATOM 0 H SER A 53 -7.492 7.942 4.627 1.00 0.00 H new ATOM 0 HA SER A 53 -5.603 10.095 5.007 1.00 0.00 H new ATOM 0 HB2 SER A 53 -6.802 8.894 2.455 1.00 0.00 H new ATOM 0 HB3 SER A 53 -5.366 9.895 2.537 1.00 0.00 H new ATOM 0 HG SER A 53 -5.703 7.297 3.716 1.00 0.00 H new ATOM 1109 N ALA A 74 -9.939 2.507 -3.934 1.00 0.00 N ATOM 1110 CA ALA A 74 -10.042 1.448 -2.896 1.00 0.00 C ATOM 1111 C ALA A 74 -10.422 0.052 -3.464 1.00 0.00 C ATOM 1112 O ALA A 74 -11.391 -0.092 -4.217 1.00 0.00 O ATOM 1113 CB ALA A 74 -10.994 1.859 -1.763 1.00 0.00 C ATOM 0 HA ALA A 74 -9.038 1.345 -2.484 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -11.044 1.061 -1.023 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -10.625 2.769 -1.290 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -11.989 2.039 -2.171 1.00 0.00 H new ATOM 1119 N GLY A 75 -9.633 -0.975 -3.084 1.00 0.00 N ATOM 1120 CA GLY A 75 -9.900 -2.372 -3.477 1.00 0.00 C ATOM 1121 C GLY A 75 -9.371 -2.769 -4.871 1.00 0.00 C ATOM 1122 O GLY A 75 -9.406 -3.953 -5.231 1.00 0.00 O ATOM 0 H GLY A 75 -8.803 -0.860 -2.503 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -9.455 -3.034 -2.734 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -10.976 -2.542 -3.451 1.00 0.00 H new ATOM 1126 N ASP A 76 -8.873 -1.784 -5.649 1.00 0.00 N ATOM 1127 CA ASP A 76 -8.364 -2.010 -7.025 1.00 0.00 C ATOM 1128 C ASP A 76 -6.831 -1.774 -7.099 1.00 0.00 C ATOM 1129 O ASP A 76 -6.284 -0.934 -6.372 1.00 0.00 O ATOM 1130 CB ASP A 76 -9.117 -1.081 -8.007 1.00 0.00 C ATOM 1131 CG ASP A 76 -8.803 -1.392 -9.485 1.00 0.00 C ATOM 1132 OD1 ASP A 76 -9.368 -2.365 -10.028 1.00 0.00 O ATOM 1133 OD2 ASP A 76 -7.968 -0.698 -10.102 1.00 0.00 O ATOM 0 H ASP A 76 -8.811 -0.812 -5.345 1.00 0.00 H new ATOM 0 HA ASP A 76 -8.545 -3.048 -7.306 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -10.190 -1.177 -7.840 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -8.853 -0.045 -7.795 1.00 0.00 H new ATOM 1138 N ARG A 77 -6.152 -2.525 -7.991 1.00 0.00 N ATOM 1139 CA ARG A 77 -4.679 -2.474 -8.152 1.00 0.00 C ATOM 1140 C ARG A 77 -4.282 -1.839 -9.514 1.00 0.00 C ATOM 1141 O ARG A 77 -4.342 -2.494 -10.566 1.00 0.00 O ATOM 1142 CB ARG A 77 -4.082 -3.910 -8.005 1.00 0.00 C ATOM 1143 CG ARG A 77 -4.715 -4.971 -8.941 1.00 0.00 C ATOM 1144 CD ARG A 77 -4.103 -6.374 -8.811 1.00 0.00 C ATOM 1145 NE ARG A 77 -4.457 -7.203 -9.979 1.00 0.00 N ATOM 1146 CZ ARG A 77 -4.270 -8.498 -10.101 1.00 0.00 C ATOM 1147 NH1 ARG A 77 -3.880 -9.234 -9.108 1.00 0.00 N ATOM 1148 NH2 ARG A 77 -4.523 -9.058 -11.236 1.00 0.00 N ATOM 0 H ARG A 77 -6.607 -3.185 -8.621 1.00 0.00 H new ATOM 0 HA ARG A 77 -4.265 -1.840 -7.368 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -3.011 -3.865 -8.200 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -4.205 -4.236 -6.972 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -5.783 -5.032 -8.732 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -4.611 -4.636 -9.973 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -3.019 -6.298 -8.727 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -4.461 -6.850 -7.898 1.00 0.00 H new ATOM 0 HE ARG A 77 -4.889 -6.724 -10.769 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -3.708 -8.811 -8.196 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -3.745 -10.237 -9.238 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -4.861 -8.497 -12.017 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -4.384 -10.062 -11.351 1.00 0.00 H new ATOM 1162 N TRP A 78 -3.872 -0.561 -9.501 1.00 0.00 N ATOM 1163 CA TRP A 78 -3.418 0.125 -10.735 1.00 0.00 C ATOM 1164 C TRP A 78 -2.631 1.403 -10.414 1.00 0.00 C ATOM 1165 O TRP A 78 -3.178 2.321 -9.818 1.00 0.00 O ATOM 1166 CB TRP A 78 -4.630 0.466 -11.652 1.00 0.00 C ATOM 1167 CG TRP A 78 -4.243 1.128 -12.965 1.00 0.00 C ATOM 1168 CD1 TRP A 78 -4.645 2.355 -13.434 1.00 0.00 C ATOM 1169 CD2 TRP A 78 -3.350 0.597 -13.964 1.00 0.00 C ATOM 1170 NE1 TRP A 78 -4.059 2.608 -14.650 1.00 0.00 N ATOM 1171 CE2 TRP A 78 -3.267 1.550 -14.997 1.00 0.00 C ATOM 1172 CE3 TRP A 78 -2.615 -0.591 -14.084 1.00 0.00 C ATOM 1173 CZ2 TRP A 78 -2.481 1.357 -16.128 1.00 0.00 C ATOM 1174 CZ3 TRP A 78 -1.836 -0.782 -15.206 1.00 0.00 C ATOM 1175 CH2 TRP A 78 -1.775 0.189 -16.216 1.00 0.00 C ATOM 0 H TRP A 78 -3.843 0.019 -8.662 1.00 0.00 H new ATOM 0 HA TRP A 78 -2.753 -0.560 -11.261 1.00 0.00 H new ATOM 0 HB2 TRP A 78 -5.180 -0.451 -11.867 1.00 0.00 H new ATOM 0 HB3 TRP A 78 -5.309 1.125 -11.110 1.00 0.00 H new ATOM 0 HD1 TRP A 78 -5.322 3.022 -12.922 1.00 0.00 H new ATOM 0 HE1 TRP A 78 -4.194 3.452 -15.206 1.00 0.00 H new ATOM 0 HE3 TRP A 78 -2.658 -1.344 -13.311 1.00 0.00 H new ATOM 0 HZ2 TRP A 78 -2.430 2.102 -16.908 1.00 0.00 H new ATOM 0 HZ3 TRP A 78 -1.265 -1.693 -15.308 1.00 0.00 H new ATOM 0 HH2 TRP A 78 -1.156 0.010 -17.083 1.00 0.00 H new ATOM 1186 N CYS A 79 -1.341 1.445 -10.840 1.00 0.00 N ATOM 1187 CA CYS A 79 -0.458 2.651 -10.718 1.00 0.00 C ATOM 1188 C CYS A 79 -0.431 3.223 -9.268 1.00 0.00 C ATOM 1189 O CYS A 79 -0.187 4.417 -9.052 1.00 0.00 O ATOM 1190 CB CYS A 79 -0.911 3.727 -11.748 1.00 0.00 C ATOM 1191 SG CYS A 79 0.160 5.187 -11.862 1.00 0.00 S ATOM 0 H CYS A 79 -0.878 0.649 -11.278 1.00 0.00 H new ATOM 0 HA CYS A 79 0.566 2.350 -10.940 1.00 0.00 H new ATOM 0 HB2 CYS A 79 -0.971 3.262 -12.732 1.00 0.00 H new ATOM 0 HB3 CYS A 79 -1.918 4.054 -11.488 1.00 0.00 H new ATOM 0 HG CYS A 79 0.575 5.515 -10.674 1.00 0.00 H new ATOM 1197 N LEU A 80 -0.656 2.320 -8.282 1.00 0.00 N ATOM 1198 CA LEU A 80 -0.849 2.680 -6.862 1.00 0.00 C ATOM 1199 C LEU A 80 0.454 3.273 -6.269 1.00 0.00 C ATOM 1200 O LEU A 80 1.519 2.666 -6.377 1.00 0.00 O ATOM 1201 CB LEU A 80 -1.352 1.415 -6.058 1.00 0.00 C ATOM 1202 CG LEU A 80 -1.739 1.597 -4.536 1.00 0.00 C ATOM 1203 CD1 LEU A 80 -0.513 1.556 -3.583 1.00 0.00 C ATOM 1204 CD2 LEU A 80 -2.590 2.872 -4.330 1.00 0.00 C ATOM 0 H LEU A 80 -0.708 1.316 -8.455 1.00 0.00 H new ATOM 0 HA LEU A 80 -1.613 3.453 -6.780 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -2.224 1.017 -6.577 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -0.573 0.655 -6.114 1.00 0.00 H new ATOM 0 HG LEU A 80 -2.349 0.736 -4.264 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -0.848 1.687 -2.554 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -0.008 0.595 -3.681 1.00 0.00 H new ATOM 0 HD13 LEU A 80 0.178 2.357 -3.844 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -2.843 2.974 -3.275 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -2.022 3.745 -4.653 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -3.505 2.797 -4.917 1.00 0.00 H new ATOM 1216 N CYS A 81 0.351 4.476 -5.664 1.00 0.00 N ATOM 1217 CA CYS A 81 1.493 5.144 -5.004 1.00 0.00 C ATOM 1218 C CYS A 81 1.988 4.320 -3.793 1.00 0.00 C ATOM 1219 O CYS A 81 1.359 4.333 -2.723 1.00 0.00 O ATOM 1220 CB CYS A 81 1.106 6.567 -4.553 1.00 0.00 C ATOM 1221 SG CYS A 81 2.415 7.432 -3.652 1.00 0.00 S ATOM 0 H CYS A 81 -0.518 5.007 -5.619 1.00 0.00 H new ATOM 0 HA CYS A 81 2.303 5.215 -5.729 1.00 0.00 H new ATOM 0 HB2 CYS A 81 0.833 7.154 -5.430 1.00 0.00 H new ATOM 0 HB3 CYS A 81 0.220 6.509 -3.920 1.00 0.00 H new ATOM 0 HG CYS A 81 2.000 8.617 -3.316 1.00 0.00 H new ATOM 1227 N ALA A 82 3.102 3.579 -4.001 1.00 0.00 N ATOM 1228 CA ALA A 82 3.734 2.724 -2.962 1.00 0.00 C ATOM 1229 C ALA A 82 4.118 3.508 -1.685 1.00 0.00 C ATOM 1230 O ALA A 82 4.257 2.912 -0.627 1.00 0.00 O ATOM 1231 CB ALA A 82 4.960 1.991 -3.528 1.00 0.00 C ATOM 0 H ALA A 82 3.591 3.556 -4.896 1.00 0.00 H new ATOM 0 HA ALA A 82 2.982 1.991 -2.669 1.00 0.00 H new ATOM 0 HB1 ALA A 82 5.405 1.372 -2.749 1.00 0.00 H new ATOM 0 HB2 ALA A 82 4.654 1.360 -4.362 1.00 0.00 H new ATOM 0 HB3 ALA A 82 5.692 2.720 -3.875 1.00 0.00 H new ATOM 1237 N SER A 83 4.337 4.839 -1.812 1.00 0.00 N ATOM 1238 CA SER A 83 4.525 5.737 -0.649 1.00 0.00 C ATOM 1239 C SER A 83 3.271 5.754 0.256 1.00 0.00 C ATOM 1240 O SER A 83 3.390 5.581 1.447 1.00 0.00 O ATOM 1241 CB SER A 83 4.858 7.173 -1.103 1.00 0.00 C ATOM 1242 OG SER A 83 6.051 7.210 -1.866 1.00 0.00 O ATOM 0 H SER A 83 4.388 5.315 -2.713 1.00 0.00 H new ATOM 0 HA SER A 83 5.365 5.346 -0.074 1.00 0.00 H new ATOM 0 HB2 SER A 83 4.033 7.570 -1.695 1.00 0.00 H new ATOM 0 HB3 SER A 83 4.962 7.817 -0.230 1.00 0.00 H new ATOM 0 HG SER A 83 6.235 8.132 -2.141 1.00 0.00 H new ATOM 1248 N ARG A 84 2.064 5.940 -0.331 1.00 0.00 N ATOM 1249 CA ARG A 84 0.783 5.962 0.443 1.00 0.00 C ATOM 1250 C ARG A 84 0.544 4.637 1.211 1.00 0.00 C ATOM 1251 O ARG A 84 0.050 4.641 2.348 1.00 0.00 O ATOM 1252 CB ARG A 84 -0.425 6.254 -0.492 1.00 0.00 C ATOM 1253 CG ARG A 84 -0.487 7.691 -1.052 1.00 0.00 C ATOM 1254 CD ARG A 84 -0.479 8.763 0.060 1.00 0.00 C ATOM 1255 NE ARG A 84 -1.536 8.544 1.074 1.00 0.00 N ATOM 1256 CZ ARG A 84 -1.562 9.089 2.278 1.00 0.00 C ATOM 1257 NH1 ARG A 84 -0.649 9.920 2.664 1.00 0.00 N ATOM 1258 NH2 ARG A 84 -2.521 8.806 3.091 1.00 0.00 N ATOM 0 H ARG A 84 1.943 6.077 -1.334 1.00 0.00 H new ATOM 0 HA ARG A 84 0.871 6.764 1.176 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -0.394 5.556 -1.328 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -1.346 6.054 0.056 1.00 0.00 H new ATOM 0 HG2 ARG A 84 0.362 7.855 -1.716 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -1.389 7.804 -1.654 1.00 0.00 H new ATOM 0 HD2 ARG A 84 0.494 8.764 0.551 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -0.611 9.747 -0.389 1.00 0.00 H new ATOM 0 HE ARG A 84 -2.305 7.923 0.823 1.00 0.00 H new ATOM 0 HH11 ARG A 84 0.114 10.168 2.034 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -0.692 10.327 3.598 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -3.259 8.162 2.805 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -2.542 9.226 4.020 1.00 0.00 H new ATOM 1272 N TRP A 85 0.892 3.512 0.567 1.00 0.00 N ATOM 1273 CA TRP A 85 0.840 2.185 1.196 1.00 0.00 C ATOM 1274 C TRP A 85 1.902 2.091 2.347 1.00 0.00 C ATOM 1275 O TRP A 85 1.572 1.691 3.472 1.00 0.00 O ATOM 1276 CB TRP A 85 1.005 1.073 0.106 1.00 0.00 C ATOM 1277 CG TRP A 85 1.520 -0.231 0.652 1.00 0.00 C ATOM 1278 CD1 TRP A 85 2.646 -0.867 0.266 1.00 0.00 C ATOM 1279 CD2 TRP A 85 0.970 -1.011 1.731 1.00 0.00 C ATOM 1280 NE1 TRP A 85 2.876 -1.946 1.070 1.00 0.00 N ATOM 1281 CE2 TRP A 85 1.857 -2.067 1.960 1.00 0.00 C ATOM 1282 CE3 TRP A 85 -0.168 -0.908 2.531 1.00 0.00 C ATOM 1283 CZ2 TRP A 85 1.652 -3.010 2.953 1.00 0.00 C ATOM 1284 CZ3 TRP A 85 -0.373 -1.849 3.507 1.00 0.00 C ATOM 1285 CH2 TRP A 85 0.535 -2.885 3.714 1.00 0.00 C ATOM 0 H TRP A 85 1.216 3.497 -0.400 1.00 0.00 H new ATOM 0 HA TRP A 85 -0.133 2.027 1.661 1.00 0.00 H new ATOM 0 HB2 TRP A 85 0.042 0.901 -0.375 1.00 0.00 H new ATOM 0 HB3 TRP A 85 1.688 1.430 -0.665 1.00 0.00 H new ATOM 0 HD1 TRP A 85 3.274 -0.566 -0.559 1.00 0.00 H new ATOM 0 HE1 TRP A 85 3.685 -2.564 1.012 1.00 0.00 H new ATOM 0 HE3 TRP A 85 -0.873 -0.103 2.385 1.00 0.00 H new ATOM 0 HZ2 TRP A 85 2.354 -3.814 3.116 1.00 0.00 H new ATOM 0 HZ3 TRP A 85 -1.255 -1.786 4.127 1.00 0.00 H new ATOM 0 HH2 TRP A 85 0.346 -3.604 4.497 1.00 0.00 H new ATOM 1296 N GLN A 86 3.170 2.418 2.030 1.00 0.00 N ATOM 1297 CA GLN A 86 4.286 2.465 3.014 1.00 0.00 C ATOM 1298 C GLN A 86 3.953 3.276 4.297 1.00 0.00 C ATOM 1299 O GLN A 86 4.202 2.817 5.420 1.00 0.00 O ATOM 1300 CB GLN A 86 5.558 3.045 2.334 1.00 0.00 C ATOM 1301 CG GLN A 86 6.845 3.015 3.197 1.00 0.00 C ATOM 1302 CD GLN A 86 7.073 1.706 3.965 1.00 0.00 C ATOM 1303 OE1 GLN A 86 6.775 0.629 3.489 1.00 0.00 O ATOM 1304 NE2 GLN A 86 7.512 1.801 5.190 1.00 0.00 N ATOM 0 H GLN A 86 3.457 2.659 1.082 1.00 0.00 H new ATOM 0 HA GLN A 86 4.459 1.439 3.338 1.00 0.00 H new ATOM 0 HB2 GLN A 86 5.744 2.489 1.415 1.00 0.00 H new ATOM 0 HB3 GLN A 86 5.357 4.077 2.047 1.00 0.00 H new ATOM 0 HG2 GLN A 86 7.704 3.195 2.550 1.00 0.00 H new ATOM 0 HG3 GLN A 86 6.806 3.837 3.911 1.00 0.00 H new ATOM 0 HE21 GLN A 86 7.758 2.713 5.574 1.00 0.00 H new ATOM 0 HE22 GLN A 86 7.609 0.963 5.763 1.00 0.00 H new ATOM 1313 N GLU A 87 3.390 4.476 4.111 1.00 0.00 N ATOM 1314 CA GLU A 87 2.963 5.358 5.216 1.00 0.00 C ATOM 1315 C GLU A 87 1.873 4.700 6.090 1.00 0.00 C ATOM 1316 O GLU A 87 1.849 4.912 7.297 1.00 0.00 O ATOM 1317 CB GLU A 87 2.458 6.742 4.678 1.00 0.00 C ATOM 1318 CG GLU A 87 3.539 7.840 4.518 1.00 0.00 C ATOM 1319 CD GLU A 87 4.571 7.593 3.395 1.00 0.00 C ATOM 1320 OE1 GLU A 87 5.501 6.777 3.577 1.00 0.00 O ATOM 1321 OE2 GLU A 87 4.470 8.244 2.330 1.00 0.00 O ATOM 0 H GLU A 87 3.215 4.869 3.186 1.00 0.00 H new ATOM 0 HA GLU A 87 3.841 5.525 5.840 1.00 0.00 H new ATOM 0 HB2 GLU A 87 1.983 6.583 3.710 1.00 0.00 H new ATOM 0 HB3 GLU A 87 1.687 7.113 5.353 1.00 0.00 H new ATOM 0 HG2 GLU A 87 3.042 8.791 4.329 1.00 0.00 H new ATOM 0 HG3 GLU A 87 4.073 7.942 5.463 1.00 0.00 H new ATOM 1328 N ALA A 88 0.976 3.916 5.462 1.00 0.00 N ATOM 1329 CA ALA A 88 -0.083 3.162 6.178 1.00 0.00 C ATOM 1330 C ALA A 88 0.509 2.130 7.158 1.00 0.00 C ATOM 1331 O ALA A 88 -0.015 1.957 8.266 1.00 0.00 O ATOM 1332 CB ALA A 88 -1.020 2.490 5.173 1.00 0.00 C ATOM 0 H ALA A 88 0.961 3.785 4.451 1.00 0.00 H new ATOM 0 HA ALA A 88 -0.656 3.872 6.774 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -1.793 1.939 5.708 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -1.485 3.250 4.544 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -0.451 1.801 4.549 1.00 0.00 H new ATOM 1338 N PHE A 89 1.606 1.460 6.745 1.00 0.00 N ATOM 1339 CA PHE A 89 2.341 0.515 7.615 1.00 0.00 C ATOM 1340 C PHE A 89 2.879 1.233 8.872 1.00 0.00 C ATOM 1341 O PHE A 89 2.644 0.800 10.006 1.00 0.00 O ATOM 1342 CB PHE A 89 3.497 -0.171 6.837 1.00 0.00 C ATOM 1343 CG PHE A 89 4.260 -1.211 7.662 1.00 0.00 C ATOM 1344 CD1 PHE A 89 3.839 -2.540 7.707 1.00 0.00 C ATOM 1345 CD2 PHE A 89 5.389 -0.857 8.413 1.00 0.00 C ATOM 1346 CE1 PHE A 89 4.517 -3.471 8.467 1.00 0.00 C ATOM 1347 CE2 PHE A 89 6.061 -1.791 9.173 1.00 0.00 C ATOM 1348 CZ PHE A 89 5.626 -3.099 9.199 1.00 0.00 C ATOM 0 H PHE A 89 2.004 1.556 5.811 1.00 0.00 H new ATOM 0 HA PHE A 89 1.644 -0.259 7.936 1.00 0.00 H new ATOM 0 HB2 PHE A 89 3.090 -0.653 5.948 1.00 0.00 H new ATOM 0 HB3 PHE A 89 4.196 0.592 6.494 1.00 0.00 H new ATOM 0 HD1 PHE A 89 2.972 -2.844 7.140 1.00 0.00 H new ATOM 0 HD2 PHE A 89 5.739 0.165 8.396 1.00 0.00 H new ATOM 0 HE1 PHE A 89 4.178 -4.496 8.489 1.00 0.00 H new ATOM 0 HE2 PHE A 89 6.927 -1.498 9.747 1.00 0.00 H new ATOM 0 HZ PHE A 89 6.153 -3.832 9.792 1.00 0.00 H new ATOM 1358 N GLU A 90 3.584 2.344 8.638 1.00 0.00 N ATOM 1359 CA GLU A 90 4.225 3.147 9.698 1.00 0.00 C ATOM 1360 C GLU A 90 3.190 3.929 10.561 1.00 0.00 C ATOM 1361 O GLU A 90 3.496 4.352 11.678 1.00 0.00 O ATOM 1362 CB GLU A 90 5.249 4.098 9.034 1.00 0.00 C ATOM 1363 CG GLU A 90 6.364 3.371 8.244 1.00 0.00 C ATOM 1364 CD GLU A 90 7.378 4.332 7.607 1.00 0.00 C ATOM 1365 OE1 GLU A 90 8.246 4.862 8.336 1.00 0.00 O ATOM 1366 OE2 GLU A 90 7.307 4.581 6.384 1.00 0.00 O ATOM 0 H GLU A 90 3.730 2.719 7.701 1.00 0.00 H new ATOM 0 HA GLU A 90 4.735 2.478 10.391 1.00 0.00 H new ATOM 0 HB2 GLU A 90 4.720 4.771 8.359 1.00 0.00 H new ATOM 0 HB3 GLU A 90 5.708 4.716 9.805 1.00 0.00 H new ATOM 0 HG2 GLU A 90 6.889 2.690 8.913 1.00 0.00 H new ATOM 0 HG3 GLU A 90 5.909 2.762 7.462 1.00 0.00 H new ATOM 1373 N ALA A 91 1.967 4.113 10.023 1.00 0.00 N ATOM 1374 CA ALA A 91 0.830 4.744 10.751 1.00 0.00 C ATOM 1375 C ALA A 91 -0.002 3.710 11.557 1.00 0.00 C ATOM 1376 O ALA A 91 -0.857 4.094 12.366 1.00 0.00 O ATOM 1377 CB ALA A 91 -0.083 5.488 9.756 1.00 0.00 C ATOM 0 H ALA A 91 1.732 3.831 9.071 1.00 0.00 H new ATOM 0 HA ALA A 91 1.254 5.449 11.466 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -0.912 5.947 10.296 1.00 0.00 H new ATOM 0 HB2 ALA A 91 0.490 6.262 9.245 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -0.474 4.782 9.023 1.00 0.00 H new ATOM 1383 N GLY A 92 0.245 2.407 11.311 1.00 0.00 N ATOM 1384 CA GLY A 92 -0.524 1.316 11.946 1.00 0.00 C ATOM 1385 C GLY A 92 -1.931 1.108 11.350 1.00 0.00 C ATOM 1386 O GLY A 92 -2.740 0.347 11.894 1.00 0.00 O ATOM 0 H GLY A 92 0.974 2.084 10.675 1.00 0.00 H new ATOM 0 HA2 GLY A 92 0.039 0.387 11.853 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -0.620 1.526 13.011 1.00 0.00 H new ATOM 1390 N MET A 93 -2.205 1.773 10.211 1.00 0.00 N ATOM 1391 CA MET A 93 -3.507 1.711 9.496 1.00 0.00 C ATOM 1392 C MET A 93 -3.348 1.000 8.127 1.00 0.00 C ATOM 1393 O MET A 93 -4.100 1.260 7.182 1.00 0.00 O ATOM 1394 CB MET A 93 -4.042 3.155 9.303 1.00 0.00 C ATOM 1395 CG MET A 93 -4.298 3.916 10.605 1.00 0.00 C ATOM 1396 SD MET A 93 -5.601 3.177 11.617 1.00 0.00 S ATOM 1397 CE MET A 93 -7.045 3.334 10.557 1.00 0.00 C ATOM 0 H MET A 93 -1.524 2.377 9.751 1.00 0.00 H new ATOM 0 HA MET A 93 -4.218 1.134 10.087 1.00 0.00 H new ATOM 0 HB2 MET A 93 -3.326 3.717 8.703 1.00 0.00 H new ATOM 0 HB3 MET A 93 -4.970 3.112 8.734 1.00 0.00 H new ATOM 0 HG2 MET A 93 -3.375 3.954 11.184 1.00 0.00 H new ATOM 0 HG3 MET A 93 -4.569 4.945 10.370 1.00 0.00 H new ATOM 0 HE1 MET A 93 -7.948 3.187 11.149 1.00 0.00 H new ATOM 0 HE2 MET A 93 -7.062 4.328 10.110 1.00 0.00 H new ATOM 0 HE3 MET A 93 -7.001 2.582 9.769 1.00 0.00 H new ATOM 1407 N ALA A 94 -2.358 0.098 8.056 1.00 0.00 N ATOM 1408 CA ALA A 94 -2.012 -0.671 6.842 1.00 0.00 C ATOM 1409 C ALA A 94 -3.096 -1.704 6.411 1.00 0.00 C ATOM 1410 O ALA A 94 -3.388 -2.648 7.161 1.00 0.00 O ATOM 1411 CB ALA A 94 -0.678 -1.382 7.060 1.00 0.00 C ATOM 0 H ALA A 94 -1.762 -0.125 8.853 1.00 0.00 H new ATOM 0 HA ALA A 94 -1.945 0.050 6.027 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -0.419 -1.951 6.167 1.00 0.00 H new ATOM 0 HB2 ALA A 94 0.099 -0.644 7.259 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -0.761 -2.059 7.910 1.00 0.00 H new ATOM 1417 N PRO A 95 -3.701 -1.537 5.190 1.00 0.00 N ATOM 1418 CA PRO A 95 -4.559 -2.587 4.552 1.00 0.00 C ATOM 1419 C PRO A 95 -3.756 -3.864 4.132 1.00 0.00 C ATOM 1420 O PRO A 95 -2.532 -3.904 4.284 1.00 0.00 O ATOM 1421 CB PRO A 95 -5.113 -1.846 3.301 1.00 0.00 C ATOM 1422 CG PRO A 95 -4.104 -0.785 3.001 1.00 0.00 C ATOM 1423 CD PRO A 95 -3.636 -0.305 4.349 1.00 0.00 C ATOM 0 HA PRO A 95 -5.324 -2.966 5.230 1.00 0.00 H new ATOM 0 HB2 PRO A 95 -5.231 -2.528 2.459 1.00 0.00 H new ATOM 0 HB3 PRO A 95 -6.093 -1.413 3.501 1.00 0.00 H new ATOM 0 HG2 PRO A 95 -3.276 -1.182 2.413 1.00 0.00 H new ATOM 0 HG3 PRO A 95 -4.545 0.027 2.423 1.00 0.00 H new ATOM 0 HD2 PRO A 95 -2.625 0.099 4.304 1.00 0.00 H new ATOM 0 HD3 PRO A 95 -4.278 0.484 4.741 1.00 0.00 H new ATOM 1431 N PRO A 96 -4.430 -4.954 3.632 1.00 0.00 N ATOM 1432 CA PRO A 96 -3.713 -6.068 2.952 1.00 0.00 C ATOM 1433 C PRO A 96 -3.147 -5.643 1.568 1.00 0.00 C ATOM 1434 O PRO A 96 -3.745 -4.821 0.859 1.00 0.00 O ATOM 1435 CB PRO A 96 -4.804 -7.162 2.815 1.00 0.00 C ATOM 1436 CG PRO A 96 -6.096 -6.397 2.788 1.00 0.00 C ATOM 1437 CD PRO A 96 -5.893 -5.230 3.738 1.00 0.00 C ATOM 0 HA PRO A 96 -2.838 -6.405 3.508 1.00 0.00 H new ATOM 0 HB2 PRO A 96 -4.669 -7.747 1.905 1.00 0.00 H new ATOM 0 HB3 PRO A 96 -4.773 -7.861 3.651 1.00 0.00 H new ATOM 0 HG2 PRO A 96 -6.325 -6.049 1.781 1.00 0.00 H new ATOM 0 HG3 PRO A 96 -6.930 -7.023 3.107 1.00 0.00 H new ATOM 0 HD2 PRO A 96 -6.488 -4.365 3.446 1.00 0.00 H new ATOM 0 HD3 PRO A 96 -6.182 -5.486 4.757 1.00 0.00 H new ATOM 1445 N VAL A 97 -1.984 -6.199 1.206 1.00 0.00 N ATOM 1446 CA VAL A 97 -1.353 -5.998 -0.120 1.00 0.00 C ATOM 1447 C VAL A 97 -0.937 -7.373 -0.693 1.00 0.00 C ATOM 1448 O VAL A 97 -0.731 -8.321 0.065 1.00 0.00 O ATOM 1449 CB VAL A 97 -0.109 -5.028 -0.020 1.00 0.00 C ATOM 1450 CG1 VAL A 97 0.988 -5.613 0.891 1.00 0.00 C ATOM 1451 CG2 VAL A 97 0.471 -4.667 -1.411 1.00 0.00 C ATOM 0 H VAL A 97 -1.445 -6.806 1.823 1.00 0.00 H new ATOM 0 HA VAL A 97 -2.073 -5.529 -0.791 1.00 0.00 H new ATOM 0 HB VAL A 97 -0.472 -4.104 0.429 1.00 0.00 H new ATOM 0 HG11 VAL A 97 1.829 -4.921 0.938 1.00 0.00 H new ATOM 0 HG12 VAL A 97 0.586 -5.765 1.893 1.00 0.00 H new ATOM 0 HG13 VAL A 97 1.326 -6.568 0.487 1.00 0.00 H new ATOM 0 HG21 VAL A 97 1.323 -3.999 -1.288 1.00 0.00 H new ATOM 0 HG22 VAL A 97 0.793 -5.576 -1.918 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -0.295 -4.171 -2.007 1.00 0.00 H new ATOM 1461 N VAL A 98 -0.865 -7.499 -2.026 1.00 0.00 N ATOM 1462 CA VAL A 98 -0.336 -8.724 -2.674 1.00 0.00 C ATOM 1463 C VAL A 98 1.213 -8.671 -2.803 1.00 0.00 C ATOM 1464 O VAL A 98 1.835 -7.627 -2.594 1.00 0.00 O ATOM 1465 CB VAL A 98 -0.993 -8.965 -4.087 1.00 0.00 C ATOM 1466 CG1 VAL A 98 -2.530 -9.107 -3.982 1.00 0.00 C ATOM 1467 CG2 VAL A 98 -0.619 -7.852 -5.084 1.00 0.00 C ATOM 0 H VAL A 98 -1.163 -6.775 -2.680 1.00 0.00 H new ATOM 0 HA VAL A 98 -0.600 -9.563 -2.030 1.00 0.00 H new ATOM 0 HB VAL A 98 -0.592 -9.905 -4.467 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -2.949 -9.272 -4.975 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -2.774 -9.953 -3.340 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -2.951 -8.196 -3.557 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -1.090 -8.052 -6.046 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -0.965 -6.891 -4.703 1.00 0.00 H new ATOM 0 HG23 VAL A 98 0.463 -7.824 -5.209 1.00 0.00 H new ATOM 1477 N LEU A 99 1.826 -9.828 -3.098 1.00 0.00 N ATOM 1478 CA LEU A 99 3.262 -9.926 -3.480 1.00 0.00 C ATOM 1479 C LEU A 99 3.406 -10.227 -4.990 1.00 0.00 C ATOM 1480 O LEU A 99 4.429 -9.901 -5.599 1.00 0.00 O ATOM 1481 CB LEU A 99 3.960 -11.046 -2.661 1.00 0.00 C ATOM 1482 CG LEU A 99 4.177 -10.755 -1.142 1.00 0.00 C ATOM 1483 CD1 LEU A 99 4.711 -12.002 -0.410 1.00 0.00 C ATOM 1484 CD2 LEU A 99 5.120 -9.547 -0.938 1.00 0.00 C ATOM 0 H LEU A 99 1.348 -10.729 -3.081 1.00 0.00 H new ATOM 0 HA LEU A 99 3.737 -8.969 -3.263 1.00 0.00 H new ATOM 0 HB2 LEU A 99 3.370 -11.958 -2.754 1.00 0.00 H new ATOM 0 HB3 LEU A 99 4.931 -11.247 -3.114 1.00 0.00 H new ATOM 0 HG LEU A 99 3.209 -10.502 -0.709 1.00 0.00 H new ATOM 0 HD11 LEU A 99 4.853 -11.771 0.646 1.00 0.00 H new ATOM 0 HD12 LEU A 99 3.994 -12.817 -0.510 1.00 0.00 H new ATOM 0 HD13 LEU A 99 5.664 -12.301 -0.847 1.00 0.00 H new ATOM 0 HD21 LEU A 99 5.254 -9.366 0.128 1.00 0.00 H new ATOM 0 HD22 LEU A 99 6.087 -9.759 -1.394 1.00 0.00 H new ATOM 0 HD23 LEU A 99 4.685 -8.663 -1.404 1.00 0.00 H new ATOM 1496 N GLN A 100 2.371 -10.867 -5.568 1.00 0.00 N ATOM 1497 CA GLN A 100 2.386 -11.347 -6.970 1.00 0.00 C ATOM 1498 C GLN A 100 2.235 -10.177 -7.971 1.00 0.00 C ATOM 1499 O GLN A 100 3.120 -9.943 -8.801 1.00 0.00 O ATOM 1500 CB GLN A 100 1.259 -12.396 -7.178 1.00 0.00 C ATOM 1501 CG GLN A 100 1.339 -13.603 -6.223 1.00 0.00 C ATOM 1502 CD GLN A 100 0.250 -14.646 -6.467 1.00 0.00 C ATOM 1503 OE1 GLN A 100 0.419 -15.567 -7.259 1.00 0.00 O ATOM 1504 NE2 GLN A 100 -0.880 -14.503 -5.803 1.00 0.00 N ATOM 0 H GLN A 100 1.499 -11.067 -5.078 1.00 0.00 H new ATOM 0 HA GLN A 100 3.351 -11.816 -7.161 1.00 0.00 H new ATOM 0 HB2 GLN A 100 0.294 -11.907 -7.048 1.00 0.00 H new ATOM 0 HB3 GLN A 100 1.298 -12.756 -8.206 1.00 0.00 H new ATOM 0 HG2 GLN A 100 2.315 -14.077 -6.330 1.00 0.00 H new ATOM 0 HG3 GLN A 100 1.267 -13.248 -5.195 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -0.993 -13.727 -5.150 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -1.641 -15.168 -5.942 1.00 0.00 H new ATOM 1513 N SER A 101 1.108 -9.446 -7.882 1.00 0.00 N ATOM 1514 CA SER A 101 0.836 -8.283 -8.769 1.00 0.00 C ATOM 1515 C SER A 101 1.626 -7.021 -8.343 1.00 0.00 C ATOM 1516 O SER A 101 1.845 -6.131 -9.161 1.00 0.00 O ATOM 1517 CB SER A 101 -0.670 -7.968 -8.814 1.00 0.00 C ATOM 1518 OG SER A 101 -0.954 -6.880 -9.680 1.00 0.00 O ATOM 0 H SER A 101 0.367 -9.635 -7.207 1.00 0.00 H new ATOM 0 HA SER A 101 1.174 -8.565 -9.766 1.00 0.00 H new ATOM 0 HB2 SER A 101 -1.216 -8.850 -9.147 1.00 0.00 H new ATOM 0 HB3 SER A 101 -1.023 -7.735 -7.809 1.00 0.00 H new ATOM 0 HG SER A 101 -1.675 -7.131 -10.295 1.00 0.00 H new ATOM 1524 N THR A 102 1.995 -6.927 -7.050 1.00 0.00 N ATOM 1525 CA THR A 102 2.898 -5.854 -6.551 1.00 0.00 C ATOM 1526 C THR A 102 4.345 -6.136 -7.006 1.00 0.00 C ATOM 1527 O THR A 102 5.017 -7.040 -6.481 1.00 0.00 O ATOM 1528 CB THR A 102 2.847 -5.715 -4.990 1.00 0.00 C ATOM 1529 OG1 THR A 102 1.505 -5.444 -4.567 1.00 0.00 O ATOM 1530 CG2 THR A 102 3.766 -4.599 -4.450 1.00 0.00 C ATOM 0 H THR A 102 1.685 -7.577 -6.328 1.00 0.00 H new ATOM 0 HA THR A 102 2.552 -4.911 -6.974 1.00 0.00 H new ATOM 0 HB THR A 102 3.202 -6.663 -4.587 1.00 0.00 H new ATOM 0 HG1 THR A 102 1.210 -6.143 -3.947 1.00 0.00 H new ATOM 0 HG21 THR A 102 3.685 -4.554 -3.364 1.00 0.00 H new ATOM 0 HG22 THR A 102 4.798 -4.811 -4.728 1.00 0.00 H new ATOM 0 HG23 THR A 102 3.465 -3.642 -4.876 1.00 0.00 H new ATOM 1538 N GLU A 103 4.803 -5.364 -8.005 1.00 0.00 N ATOM 1539 CA GLU A 103 6.123 -5.555 -8.633 1.00 0.00 C ATOM 1540 C GLU A 103 7.259 -4.976 -7.752 1.00 0.00 C ATOM 1541 O GLU A 103 7.029 -4.122 -6.892 1.00 0.00 O ATOM 1542 CB GLU A 103 6.151 -4.935 -10.060 1.00 0.00 C ATOM 1543 CG GLU A 103 5.007 -5.396 -11.021 1.00 0.00 C ATOM 1544 CD GLU A 103 3.811 -4.410 -11.129 1.00 0.00 C ATOM 1545 OE1 GLU A 103 3.393 -3.837 -10.108 1.00 0.00 O ATOM 1546 OE2 GLU A 103 3.295 -4.190 -12.251 1.00 0.00 O ATOM 0 H GLU A 103 4.270 -4.590 -8.401 1.00 0.00 H new ATOM 0 HA GLU A 103 6.295 -6.627 -8.725 1.00 0.00 H new ATOM 0 HB2 GLU A 103 6.107 -3.850 -9.966 1.00 0.00 H new ATOM 0 HB3 GLU A 103 7.108 -5.176 -10.522 1.00 0.00 H new ATOM 0 HG2 GLU A 103 5.426 -5.547 -12.016 1.00 0.00 H new ATOM 0 HG3 GLU A 103 4.634 -6.362 -10.682 1.00 0.00 H new ATOM 1553 N LYS A 104 8.497 -5.434 -8.006 1.00 0.00 N ATOM 1554 CA LYS A 104 9.667 -5.161 -7.125 1.00 0.00 C ATOM 1555 C LYS A 104 10.170 -3.694 -7.180 1.00 0.00 C ATOM 1556 O LYS A 104 10.978 -3.284 -6.341 1.00 0.00 O ATOM 1557 CB LYS A 104 10.802 -6.185 -7.399 1.00 0.00 C ATOM 1558 CG LYS A 104 10.341 -7.667 -7.317 1.00 0.00 C ATOM 1559 CD LYS A 104 9.619 -8.015 -5.987 1.00 0.00 C ATOM 1560 CE LYS A 104 8.866 -9.363 -6.040 1.00 0.00 C ATOM 1561 NZ LYS A 104 9.767 -10.515 -6.325 1.00 0.00 N ATOM 0 H LYS A 104 8.724 -6.002 -8.822 1.00 0.00 H new ATOM 0 HA LYS A 104 9.323 -5.292 -6.099 1.00 0.00 H new ATOM 0 HB2 LYS A 104 11.217 -5.997 -8.389 1.00 0.00 H new ATOM 0 HB3 LYS A 104 11.606 -6.024 -6.681 1.00 0.00 H new ATOM 0 HG2 LYS A 104 9.672 -7.878 -8.151 1.00 0.00 H new ATOM 0 HG3 LYS A 104 11.209 -8.317 -7.432 1.00 0.00 H new ATOM 0 HD2 LYS A 104 10.352 -8.047 -5.180 1.00 0.00 H new ATOM 0 HD3 LYS A 104 8.913 -7.221 -5.745 1.00 0.00 H new ATOM 0 HE2 LYS A 104 8.360 -9.529 -5.089 1.00 0.00 H new ATOM 0 HE3 LYS A 104 8.093 -9.313 -6.807 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 9.211 -11.393 -6.349 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 10.231 -10.374 -7.245 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 10.489 -10.583 -5.580 1.00 0.00 H new ATOM 1575 N SER A 105 9.698 -2.916 -8.178 1.00 0.00 N ATOM 1576 CA SER A 105 9.937 -1.440 -8.243 1.00 0.00 C ATOM 1577 C SER A 105 9.308 -0.708 -7.018 1.00 0.00 C ATOM 1578 O SER A 105 9.739 0.390 -6.647 1.00 0.00 O ATOM 1579 CB SER A 105 9.401 -0.847 -9.570 1.00 0.00 C ATOM 1580 OG SER A 105 9.807 0.507 -9.755 1.00 0.00 O ATOM 0 H SER A 105 9.147 -3.278 -8.956 1.00 0.00 H new ATOM 0 HA SER A 105 11.015 -1.281 -8.210 1.00 0.00 H new ATOM 0 HB2 SER A 105 9.757 -1.449 -10.406 1.00 0.00 H new ATOM 0 HB3 SER A 105 8.312 -0.903 -9.578 1.00 0.00 H new ATOM 0 HG SER A 105 9.450 0.843 -10.604 1.00 0.00 H new ATOM 1586 N ALA A 106 8.257 -1.327 -6.425 1.00 0.00 N ATOM 1587 CA ALA A 106 7.632 -0.858 -5.160 1.00 0.00 C ATOM 1588 C ALA A 106 8.639 -0.763 -3.991 1.00 0.00 C ATOM 1589 O ALA A 106 8.540 0.141 -3.160 1.00 0.00 O ATOM 1590 CB ALA A 106 6.466 -1.782 -4.770 1.00 0.00 C ATOM 0 H ALA A 106 7.818 -2.164 -6.809 1.00 0.00 H new ATOM 0 HA ALA A 106 7.262 0.150 -5.348 1.00 0.00 H new ATOM 0 HB1 ALA A 106 6.016 -1.428 -3.842 1.00 0.00 H new ATOM 0 HB2 ALA A 106 5.717 -1.776 -5.562 1.00 0.00 H new ATOM 0 HB3 ALA A 106 6.837 -2.797 -4.629 1.00 0.00 H new ATOM 1596 N LEU A 107 9.632 -1.683 -3.967 1.00 0.00 N ATOM 1597 CA LEU A 107 10.680 -1.787 -2.894 1.00 0.00 C ATOM 1598 C LEU A 107 11.642 -0.562 -2.841 1.00 0.00 C ATOM 1599 O LEU A 107 12.612 -0.569 -2.079 1.00 0.00 O ATOM 1600 CB LEU A 107 11.509 -3.106 -3.058 1.00 0.00 C ATOM 1601 CG LEU A 107 10.837 -4.445 -2.589 1.00 0.00 C ATOM 1602 CD1 LEU A 107 9.533 -4.755 -3.354 1.00 0.00 C ATOM 1603 CD2 LEU A 107 11.836 -5.625 -2.693 1.00 0.00 C ATOM 0 H LEU A 107 9.739 -2.388 -4.696 1.00 0.00 H new ATOM 0 HA LEU A 107 10.138 -1.803 -1.948 1.00 0.00 H new ATOM 0 HB2 LEU A 107 11.770 -3.211 -4.111 1.00 0.00 H new ATOM 0 HB3 LEU A 107 12.443 -2.987 -2.508 1.00 0.00 H new ATOM 0 HG LEU A 107 10.560 -4.312 -1.543 1.00 0.00 H new ATOM 0 HD11 LEU A 107 9.111 -5.692 -2.989 1.00 0.00 H new ATOM 0 HD12 LEU A 107 8.817 -3.948 -3.195 1.00 0.00 H new ATOM 0 HD13 LEU A 107 9.748 -4.844 -4.419 1.00 0.00 H new ATOM 0 HD21 LEU A 107 11.350 -6.543 -2.363 1.00 0.00 H new ATOM 0 HD22 LEU A 107 12.160 -5.737 -3.728 1.00 0.00 H new ATOM 0 HD23 LEU A 107 12.702 -5.426 -2.061 1.00 0.00 H new ATOM 1615 N ARG A 108 11.373 0.473 -3.647 1.00 0.00 N ATOM 1616 CA ARG A 108 12.139 1.740 -3.641 1.00 0.00 C ATOM 1617 C ARG A 108 11.447 2.781 -2.728 1.00 0.00 C ATOM 1618 O ARG A 108 12.054 3.769 -2.305 1.00 0.00 O ATOM 1619 CB ARG A 108 12.268 2.266 -5.090 1.00 0.00 C ATOM 1620 CG ARG A 108 12.985 1.290 -6.053 1.00 0.00 C ATOM 1621 CD ARG A 108 13.214 1.891 -7.451 1.00 0.00 C ATOM 1622 NE ARG A 108 14.043 3.115 -7.385 1.00 0.00 N ATOM 1623 CZ ARG A 108 14.697 3.658 -8.382 1.00 0.00 C ATOM 1624 NH1 ARG A 108 14.671 3.143 -9.570 1.00 0.00 N ATOM 1625 NH2 ARG A 108 15.385 4.728 -8.180 1.00 0.00 N ATOM 0 H ARG A 108 10.614 0.461 -4.328 1.00 0.00 H new ATOM 0 HA ARG A 108 13.138 1.562 -3.243 1.00 0.00 H new ATOM 0 HB2 ARG A 108 11.272 2.477 -5.479 1.00 0.00 H new ATOM 0 HB3 ARG A 108 12.812 3.211 -5.076 1.00 0.00 H new ATOM 0 HG2 ARG A 108 13.945 1.004 -5.624 1.00 0.00 H new ATOM 0 HG3 ARG A 108 12.393 0.379 -6.147 1.00 0.00 H new ATOM 0 HD2 ARG A 108 13.701 1.154 -8.090 1.00 0.00 H new ATOM 0 HD3 ARG A 108 12.253 2.125 -7.910 1.00 0.00 H new ATOM 0 HE ARG A 108 14.112 3.579 -6.479 1.00 0.00 H new ATOM 0 HH11 ARG A 108 14.132 2.295 -9.747 1.00 0.00 H new ATOM 0 HH12 ARG A 108 15.189 3.585 -10.329 1.00 0.00 H new ATOM 0 HH21 ARG A 108 15.417 5.145 -7.250 1.00 0.00 H new ATOM 0 HH22 ARG A 108 15.897 5.158 -8.950 1.00 0.00 H new ATOM 1639 N TYR A 109 10.158 2.534 -2.457 1.00 0.00 N ATOM 1640 CA TYR A 109 9.304 3.356 -1.584 1.00 0.00 C ATOM 1641 C TYR A 109 9.070 2.594 -0.262 1.00 0.00 C ATOM 1642 O TYR A 109 9.266 3.132 0.831 1.00 0.00 O ATOM 1643 CB TYR A 109 7.956 3.629 -2.298 1.00 0.00 C ATOM 1644 CG TYR A 109 8.103 4.212 -3.716 1.00 0.00 C ATOM 1645 CD1 TYR A 109 8.388 3.385 -4.815 1.00 0.00 C ATOM 1646 CD2 TYR A 109 7.954 5.579 -3.960 1.00 0.00 C ATOM 1647 CE1 TYR A 109 8.519 3.904 -6.089 1.00 0.00 C ATOM 1648 CE2 TYR A 109 8.084 6.099 -5.231 1.00 0.00 C ATOM 1649 CZ TYR A 109 8.365 5.259 -6.291 1.00 0.00 C ATOM 1650 OH TYR A 109 8.492 5.781 -7.556 1.00 0.00 O ATOM 0 H TYR A 109 9.664 1.733 -2.850 1.00 0.00 H new ATOM 0 HA TYR A 109 9.785 4.310 -1.369 1.00 0.00 H new ATOM 0 HB2 TYR A 109 7.393 2.698 -2.356 1.00 0.00 H new ATOM 0 HB3 TYR A 109 7.369 4.319 -1.692 1.00 0.00 H new ATOM 0 HD1 TYR A 109 8.507 2.323 -4.661 1.00 0.00 H new ATOM 0 HD2 TYR A 109 7.733 6.242 -3.137 1.00 0.00 H new ATOM 0 HE1 TYR A 109 8.741 3.252 -6.921 1.00 0.00 H new ATOM 0 HE2 TYR A 109 7.966 7.160 -5.397 1.00 0.00 H new ATOM 0 HH TYR A 109 8.353 6.751 -7.525 1.00 0.00 H new ATOM 1660 N VAL A 110 8.634 1.325 -0.401 1.00 0.00 N ATOM 1661 CA VAL A 110 8.544 0.360 0.714 1.00 0.00 C ATOM 1662 C VAL A 110 9.835 -0.480 0.825 1.00 0.00 C ATOM 1663 O VAL A 110 10.858 -0.182 0.216 1.00 0.00 O ATOM 1664 CB VAL A 110 7.330 -0.644 0.529 1.00 0.00 C ATOM 1665 CG1 VAL A 110 5.996 0.062 0.460 1.00 0.00 C ATOM 1666 CG2 VAL A 110 7.478 -1.511 -0.715 1.00 0.00 C ATOM 0 H VAL A 110 8.333 0.939 -1.296 1.00 0.00 H new ATOM 0 HA VAL A 110 8.395 0.952 1.617 1.00 0.00 H new ATOM 0 HB VAL A 110 7.354 -1.276 1.417 1.00 0.00 H new ATOM 0 HG11 VAL A 110 5.201 -0.673 0.333 1.00 0.00 H new ATOM 0 HG12 VAL A 110 5.831 0.619 1.382 1.00 0.00 H new ATOM 0 HG13 VAL A 110 5.992 0.750 -0.385 1.00 0.00 H new ATOM 0 HG21 VAL A 110 6.622 -2.180 -0.796 1.00 0.00 H new ATOM 0 HG22 VAL A 110 7.526 -0.874 -1.599 1.00 0.00 H new ATOM 0 HG23 VAL A 110 8.393 -2.099 -0.642 1.00 0.00 H new ATOM 1676 N SER A 111 9.761 -1.497 1.670 1.00 0.00 N ATOM 1677 CA SER A 111 10.600 -2.699 1.591 1.00 0.00 C ATOM 1678 C SER A 111 9.677 -3.915 1.421 1.00 0.00 C ATOM 1679 O SER A 111 8.465 -3.827 1.678 1.00 0.00 O ATOM 1680 CB SER A 111 11.432 -2.833 2.868 1.00 0.00 C ATOM 1681 OG SER A 111 12.295 -3.965 2.831 1.00 0.00 O ATOM 0 H SER A 111 9.104 -1.517 2.450 1.00 0.00 H new ATOM 0 HA SER A 111 11.284 -2.633 0.745 1.00 0.00 H new ATOM 0 HB2 SER A 111 12.026 -1.930 3.009 1.00 0.00 H new ATOM 0 HB3 SER A 111 10.766 -2.914 3.727 1.00 0.00 H new ATOM 0 HG SER A 111 12.809 -4.012 3.664 1.00 0.00 H new ATOM 1687 N LEU A 112 10.243 -5.046 0.994 1.00 0.00 N ATOM 1688 CA LEU A 112 9.504 -6.327 0.915 1.00 0.00 C ATOM 1689 C LEU A 112 8.905 -6.716 2.292 1.00 0.00 C ATOM 1690 O LEU A 112 7.838 -7.311 2.351 1.00 0.00 O ATOM 1691 CB LEU A 112 10.434 -7.437 0.334 1.00 0.00 C ATOM 1692 CG LEU A 112 9.973 -8.947 0.470 1.00 0.00 C ATOM 1693 CD1 LEU A 112 10.387 -9.796 -0.752 1.00 0.00 C ATOM 1694 CD2 LEU A 112 10.518 -9.592 1.779 1.00 0.00 C ATOM 0 H LEU A 112 11.216 -5.110 0.694 1.00 0.00 H new ATOM 0 HA LEU A 112 8.659 -6.211 0.237 1.00 0.00 H new ATOM 0 HB2 LEU A 112 10.580 -7.228 -0.726 1.00 0.00 H new ATOM 0 HB3 LEU A 112 11.407 -7.341 0.815 1.00 0.00 H new ATOM 0 HG LEU A 112 8.884 -8.934 0.514 1.00 0.00 H new ATOM 0 HD11 LEU A 112 10.049 -10.823 -0.613 1.00 0.00 H new ATOM 0 HD12 LEU A 112 9.932 -9.383 -1.653 1.00 0.00 H new ATOM 0 HD13 LEU A 112 11.472 -9.782 -0.854 1.00 0.00 H new ATOM 0 HD21 LEU A 112 10.183 -10.627 1.841 1.00 0.00 H new ATOM 0 HD22 LEU A 112 11.608 -9.563 1.773 1.00 0.00 H new ATOM 0 HD23 LEU A 112 10.145 -9.038 2.640 1.00 0.00 H new ATOM 1706 N ALA A 113 9.596 -6.336 3.384 1.00 0.00 N ATOM 1707 CA ALA A 113 9.144 -6.592 4.776 1.00 0.00 C ATOM 1708 C ALA A 113 7.742 -5.996 5.071 1.00 0.00 C ATOM 1709 O ALA A 113 6.908 -6.651 5.704 1.00 0.00 O ATOM 1710 CB ALA A 113 10.184 -6.031 5.761 1.00 0.00 C ATOM 0 H ALA A 113 10.486 -5.841 3.331 1.00 0.00 H new ATOM 0 HA ALA A 113 9.054 -7.671 4.901 1.00 0.00 H new ATOM 0 HB1 ALA A 113 9.855 -6.218 6.783 1.00 0.00 H new ATOM 0 HB2 ALA A 113 11.144 -6.520 5.594 1.00 0.00 H new ATOM 0 HB3 ALA A 113 10.291 -4.958 5.605 1.00 0.00 H new ATOM 1716 N ASP A 114 7.490 -4.765 4.575 1.00 0.00 N ATOM 1717 CA ASP A 114 6.210 -4.053 4.786 1.00 0.00 C ATOM 1718 C ASP A 114 5.070 -4.736 3.987 1.00 0.00 C ATOM 1719 O ASP A 114 3.917 -4.793 4.436 1.00 0.00 O ATOM 1720 CB ASP A 114 6.365 -2.576 4.355 1.00 0.00 C ATOM 1721 CG ASP A 114 7.589 -1.896 4.998 1.00 0.00 C ATOM 1722 OD1 ASP A 114 8.701 -2.036 4.462 1.00 0.00 O ATOM 1723 OD2 ASP A 114 7.454 -1.238 6.042 1.00 0.00 O ATOM 0 H ASP A 114 8.165 -4.239 4.020 1.00 0.00 H new ATOM 0 HA ASP A 114 5.950 -4.091 5.844 1.00 0.00 H new ATOM 0 HB2 ASP A 114 6.454 -2.526 3.270 1.00 0.00 H new ATOM 0 HB3 ASP A 114 5.464 -2.026 4.626 1.00 0.00 H new ATOM 1728 N LEU A 115 5.445 -5.282 2.811 1.00 0.00 N ATOM 1729 CA LEU A 115 4.532 -6.014 1.917 1.00 0.00 C ATOM 1730 C LEU A 115 4.083 -7.346 2.567 1.00 0.00 C ATOM 1731 O LEU A 115 2.891 -7.591 2.747 1.00 0.00 O ATOM 1732 CB LEU A 115 5.231 -6.299 0.559 1.00 0.00 C ATOM 1733 CG LEU A 115 5.776 -5.062 -0.213 1.00 0.00 C ATOM 1734 CD1 LEU A 115 6.489 -5.469 -1.505 1.00 0.00 C ATOM 1735 CD2 LEU A 115 4.670 -4.059 -0.526 1.00 0.00 C ATOM 0 H LEU A 115 6.399 -5.225 2.455 1.00 0.00 H new ATOM 0 HA LEU A 115 3.651 -5.396 1.744 1.00 0.00 H new ATOM 0 HB2 LEU A 115 6.061 -6.982 0.739 1.00 0.00 H new ATOM 0 HB3 LEU A 115 4.524 -6.820 -0.086 1.00 0.00 H new ATOM 0 HG LEU A 115 6.501 -4.583 0.445 1.00 0.00 H new ATOM 0 HD11 LEU A 115 6.855 -4.578 -2.015 1.00 0.00 H new ATOM 0 HD12 LEU A 115 7.329 -6.122 -1.267 1.00 0.00 H new ATOM 0 HD13 LEU A 115 5.791 -5.998 -2.154 1.00 0.00 H new ATOM 0 HD21 LEU A 115 5.091 -3.210 -1.065 1.00 0.00 H new ATOM 0 HD22 LEU A 115 3.908 -4.538 -1.141 1.00 0.00 H new ATOM 0 HD23 LEU A 115 4.220 -3.711 0.404 1.00 0.00 H new ATOM 1747 N GLN A 116 5.078 -8.161 2.960 1.00 0.00 N ATOM 1748 CA GLN A 116 4.875 -9.523 3.517 1.00 0.00 C ATOM 1749 C GLN A 116 4.104 -9.494 4.845 1.00 0.00 C ATOM 1750 O GLN A 116 3.287 -10.372 5.113 1.00 0.00 O ATOM 1751 CB GLN A 116 6.247 -10.202 3.730 1.00 0.00 C ATOM 1752 CG GLN A 116 7.099 -10.345 2.440 1.00 0.00 C ATOM 1753 CD GLN A 116 7.446 -11.786 2.047 1.00 0.00 C ATOM 1754 OE1 GLN A 116 7.522 -12.678 2.881 1.00 0.00 O ATOM 1755 NE2 GLN A 116 7.713 -12.007 0.776 1.00 0.00 N ATOM 0 H GLN A 116 6.061 -7.895 2.902 1.00 0.00 H new ATOM 0 HA GLN A 116 4.279 -10.089 2.801 1.00 0.00 H new ATOM 0 HB2 GLN A 116 6.813 -9.627 4.463 1.00 0.00 H new ATOM 0 HB3 GLN A 116 6.086 -11.192 4.156 1.00 0.00 H new ATOM 0 HG2 GLN A 116 6.561 -9.879 1.614 1.00 0.00 H new ATOM 0 HG3 GLN A 116 8.026 -9.787 2.572 1.00 0.00 H new ATOM 0 HE21 GLN A 116 7.642 -11.246 0.100 1.00 0.00 H new ATOM 0 HE22 GLN A 116 7.990 -12.939 0.468 1.00 0.00 H new ATOM 1764 N ALA A 117 4.387 -8.466 5.660 1.00 0.00 N ATOM 1765 CA ALA A 117 3.678 -8.212 6.945 1.00 0.00 C ATOM 1766 C ALA A 117 2.129 -8.110 6.792 1.00 0.00 C ATOM 1767 O ALA A 117 1.390 -8.282 7.766 1.00 0.00 O ATOM 1768 CB ALA A 117 4.235 -6.940 7.598 1.00 0.00 C ATOM 0 H ALA A 117 5.114 -7.780 5.455 1.00 0.00 H new ATOM 0 HA ALA A 117 3.862 -9.076 7.584 1.00 0.00 H new ATOM 0 HB1 ALA A 117 3.715 -6.756 8.538 1.00 0.00 H new ATOM 0 HB2 ALA A 117 5.300 -7.067 7.791 1.00 0.00 H new ATOM 0 HB3 ALA A 117 4.086 -6.092 6.929 1.00 0.00 H new ATOM 1774 N HIS A 118 1.650 -7.802 5.564 1.00 0.00 N ATOM 1775 CA HIS A 118 0.198 -7.741 5.237 1.00 0.00 C ATOM 1776 C HIS A 118 -0.139 -8.562 3.952 1.00 0.00 C ATOM 1777 O HIS A 118 -1.188 -8.353 3.329 1.00 0.00 O ATOM 1778 CB HIS A 118 -0.244 -6.259 5.095 1.00 0.00 C ATOM 1779 CG HIS A 118 -0.124 -5.471 6.378 1.00 0.00 C ATOM 1780 ND1 HIS A 118 -1.132 -5.414 7.317 1.00 0.00 N ATOM 1781 CD2 HIS A 118 0.907 -4.760 6.899 1.00 0.00 C ATOM 1782 CE1 HIS A 118 -0.730 -4.714 8.355 1.00 0.00 C ATOM 1783 NE2 HIS A 118 0.500 -4.305 8.129 1.00 0.00 N ATOM 0 H HIS A 118 2.254 -7.588 4.771 1.00 0.00 H new ATOM 0 HA HIS A 118 -0.360 -8.197 6.055 1.00 0.00 H new ATOM 0 HB2 HIS A 118 0.361 -5.780 4.325 1.00 0.00 H new ATOM 0 HB3 HIS A 118 -1.279 -6.227 4.753 1.00 0.00 H new ATOM 0 HD2 HIS A 118 1.866 -4.585 6.434 1.00 0.00 H new ATOM 0 HE1 HIS A 118 -1.311 -4.510 9.242 1.00 0.00 H new ATOM 0 HE2 HIS A 118 1.062 -3.740 8.766 1.00 0.00 H new ATOM 1792 N ALA A 119 0.739 -9.528 3.593 1.00 0.00 N ATOM 1793 CA ALA A 119 0.535 -10.447 2.438 1.00 0.00 C ATOM 1794 C ALA A 119 0.704 -11.933 2.844 1.00 0.00 C ATOM 1795 O ALA A 119 1.125 -12.244 3.965 1.00 0.00 O ATOM 1796 CB ALA A 119 1.518 -10.099 1.308 1.00 0.00 C ATOM 0 H ALA A 119 1.611 -9.696 4.094 1.00 0.00 H new ATOM 0 HA ALA A 119 -0.489 -10.313 2.088 1.00 0.00 H new ATOM 0 HB1 ALA A 119 1.361 -10.776 0.468 1.00 0.00 H new ATOM 0 HB2 ALA A 119 1.350 -9.072 0.983 1.00 0.00 H new ATOM 0 HB3 ALA A 119 2.541 -10.202 1.671 1.00 0.00 H new