USER MOD reduce.3.24.130724 H: found=0, std=0, add=444, rem=0, adj=15 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 180:sc= -0.157 USER MOD Single : A 42 CYS SG : rot 99:sc= 0.4 USER MOD Single : A 45 MET CE :methyl -156:sc= -0.57 (180deg=-1.36) USER MOD Single : A 46 THR OG1 : rot -60:sc= -0.662 USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 79 CYS SG : rot -11:sc= 0.62 USER MOD Single : A 81 CYS SG : rot 180:sc= -0.108 USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 86 GLN : amide:sc= -0.312 K(o=-0.31,f=-6!) USER MOD Single : A 93 MET CE :methyl 161:sc= -1.04 (180deg=-2.43!) USER MOD Single : A 100 GLN : amide:sc= -1.69 K(o=-1.7,f=-3.1!) USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 102 THR OG1 : rot 130:sc= 0.599 USER MOD Single : A 104 LYS NZ :NH3+ 167:sc= -0.0199 (180deg=-0.214) USER MOD Single : A 105 SER OG : rot -151:sc= 0.061 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= -1.32 X(o=-1.3,f=-0.94) USER MOD Single : A 118 HIS : no HD1:sc= -1.14 K(o=-1.1,f=-3.1) USER MOD ----------------------------------------------------------------- ATOM 567 N THR A 40 7.074 0.697 -11.318 1.00 0.00 N ATOM 568 CA THR A 40 6.004 -0.352 -11.288 1.00 0.00 C ATOM 569 C THR A 40 5.677 -0.801 -9.836 1.00 0.00 C ATOM 570 O THR A 40 6.439 -1.540 -9.200 1.00 0.00 O ATOM 571 CB THR A 40 6.358 -1.605 -12.183 1.00 0.00 C ATOM 572 OG1 THR A 40 7.673 -2.104 -11.889 1.00 0.00 O ATOM 573 CG2 THR A 40 6.260 -1.301 -13.684 1.00 0.00 C ATOM 0 HA THR A 40 5.115 0.115 -11.713 1.00 0.00 H new ATOM 0 HB THR A 40 5.617 -2.366 -11.938 1.00 0.00 H new ATOM 0 HG1 THR A 40 7.863 -2.880 -12.457 1.00 0.00 H new ATOM 0 HG21 THR A 40 6.513 -2.195 -14.254 1.00 0.00 H new ATOM 0 HG22 THR A 40 5.243 -0.992 -13.927 1.00 0.00 H new ATOM 0 HG23 THR A 40 6.954 -0.500 -13.939 1.00 0.00 H new ATOM 581 N VAL A 41 4.533 -0.296 -9.312 1.00 0.00 N ATOM 582 CA VAL A 41 3.998 -0.634 -7.967 1.00 0.00 C ATOM 583 C VAL A 41 2.462 -0.860 -8.072 1.00 0.00 C ATOM 584 O VAL A 41 1.717 0.094 -8.270 1.00 0.00 O ATOM 585 CB VAL A 41 4.259 0.523 -6.907 1.00 0.00 C ATOM 586 CG1 VAL A 41 3.828 0.086 -5.477 1.00 0.00 C ATOM 587 CG2 VAL A 41 5.731 1.018 -6.923 1.00 0.00 C ATOM 0 H VAL A 41 3.947 0.367 -9.818 1.00 0.00 H new ATOM 0 HA VAL A 41 4.512 -1.533 -7.627 1.00 0.00 H new ATOM 0 HB VAL A 41 3.638 1.368 -7.204 1.00 0.00 H new ATOM 0 HG11 VAL A 41 4.019 0.898 -4.775 1.00 0.00 H new ATOM 0 HG12 VAL A 41 2.765 -0.153 -5.475 1.00 0.00 H new ATOM 0 HG13 VAL A 41 4.398 -0.793 -5.178 1.00 0.00 H new ATOM 0 HG21 VAL A 41 5.857 1.807 -6.182 1.00 0.00 H new ATOM 0 HG22 VAL A 41 6.397 0.188 -6.686 1.00 0.00 H new ATOM 0 HG23 VAL A 41 5.973 1.407 -7.912 1.00 0.00 H new ATOM 597 N CYS A 42 1.991 -2.116 -7.973 1.00 0.00 N ATOM 598 CA CYS A 42 0.530 -2.429 -7.958 1.00 0.00 C ATOM 599 C CYS A 42 0.092 -2.993 -6.589 1.00 0.00 C ATOM 600 O CYS A 42 0.425 -4.119 -6.224 1.00 0.00 O ATOM 601 CB CYS A 42 0.159 -3.408 -9.098 1.00 0.00 C ATOM 602 SG CYS A 42 0.400 -2.702 -10.744 1.00 0.00 S ATOM 0 H CYS A 42 2.591 -2.938 -7.902 1.00 0.00 H new ATOM 0 HA CYS A 42 -0.008 -1.496 -8.124 1.00 0.00 H new ATOM 0 HB2 CYS A 42 0.762 -4.311 -9.004 1.00 0.00 H new ATOM 0 HB3 CYS A 42 -0.883 -3.708 -8.987 1.00 0.00 H new ATOM 0 HG CYS A 42 1.531 -3.116 -11.232 1.00 0.00 H new ATOM 608 N ALA A 43 -0.695 -2.187 -5.861 1.00 0.00 N ATOM 609 CA ALA A 43 -1.227 -2.509 -4.523 1.00 0.00 C ATOM 610 C ALA A 43 -2.686 -2.030 -4.453 1.00 0.00 C ATOM 611 O ALA A 43 -3.047 -1.061 -5.133 1.00 0.00 O ATOM 612 CB ALA A 43 -0.376 -1.816 -3.445 1.00 0.00 C ATOM 0 H ALA A 43 -0.988 -1.268 -6.193 1.00 0.00 H new ATOM 0 HA ALA A 43 -1.188 -3.584 -4.347 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -0.772 -2.056 -2.458 1.00 0.00 H new ATOM 0 HB2 ALA A 43 0.655 -2.163 -3.516 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -0.407 -0.737 -3.595 1.00 0.00 H new ATOM 618 N GLU A 44 -3.536 -2.701 -3.662 1.00 0.00 N ATOM 619 CA GLU A 44 -4.963 -2.327 -3.568 1.00 0.00 C ATOM 620 C GLU A 44 -5.360 -1.983 -2.123 1.00 0.00 C ATOM 621 O GLU A 44 -5.319 -2.836 -1.228 1.00 0.00 O ATOM 622 CB GLU A 44 -5.867 -3.443 -4.136 1.00 0.00 C ATOM 623 CG GLU A 44 -7.251 -2.936 -4.530 1.00 0.00 C ATOM 624 CD GLU A 44 -8.112 -4.001 -5.226 1.00 0.00 C ATOM 625 OE1 GLU A 44 -7.923 -4.223 -6.439 1.00 0.00 O ATOM 626 OE2 GLU A 44 -8.983 -4.608 -4.574 1.00 0.00 O ATOM 0 H GLU A 44 -3.269 -3.497 -3.083 1.00 0.00 H new ATOM 0 HA GLU A 44 -5.108 -1.432 -4.173 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -5.385 -3.887 -5.007 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -5.972 -4.233 -3.393 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -7.770 -2.585 -3.638 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -7.141 -2.078 -5.193 1.00 0.00 H new ATOM 633 N MET A 45 -5.720 -0.707 -1.922 1.00 0.00 N ATOM 634 CA MET A 45 -6.152 -0.163 -0.623 1.00 0.00 C ATOM 635 C MET A 45 -7.678 -0.315 -0.433 1.00 0.00 C ATOM 636 O MET A 45 -8.450 -0.154 -1.390 1.00 0.00 O ATOM 637 CB MET A 45 -5.737 1.329 -0.556 1.00 0.00 C ATOM 638 CG MET A 45 -4.248 1.553 -0.849 1.00 0.00 C ATOM 639 SD MET A 45 -3.196 1.000 0.505 1.00 0.00 S ATOM 640 CE MET A 45 -3.741 2.085 1.828 1.00 0.00 C ATOM 0 H MET A 45 -5.720 -0.012 -2.668 1.00 0.00 H new ATOM 0 HA MET A 45 -5.672 -0.720 0.182 1.00 0.00 H new ATOM 0 HB2 MET A 45 -6.331 1.898 -1.271 1.00 0.00 H new ATOM 0 HB3 MET A 45 -5.969 1.720 0.434 1.00 0.00 H new ATOM 0 HG2 MET A 45 -3.975 1.020 -1.760 1.00 0.00 H new ATOM 0 HG3 MET A 45 -4.071 2.613 -1.034 1.00 0.00 H new ATOM 0 HE1 MET A 45 -2.948 2.181 2.570 1.00 0.00 H new ATOM 0 HE2 MET A 45 -3.977 3.068 1.419 1.00 0.00 H new ATOM 0 HE3 MET A 45 -4.630 1.666 2.300 1.00 0.00 H new ATOM 650 N THR A 46 -8.098 -0.609 0.811 1.00 0.00 N ATOM 651 CA THR A 46 -9.530 -0.760 1.167 1.00 0.00 C ATOM 652 C THR A 46 -10.124 0.617 1.519 1.00 0.00 C ATOM 653 O THR A 46 -9.398 1.484 2.020 1.00 0.00 O ATOM 654 CB THR A 46 -9.728 -1.730 2.381 1.00 0.00 C ATOM 655 OG1 THR A 46 -9.151 -1.166 3.563 1.00 0.00 O ATOM 656 CG2 THR A 46 -9.100 -3.116 2.129 1.00 0.00 C ATOM 0 H THR A 46 -7.463 -0.749 1.597 1.00 0.00 H new ATOM 0 HA THR A 46 -10.042 -1.185 0.304 1.00 0.00 H new ATOM 0 HB THR A 46 -10.802 -1.862 2.510 1.00 0.00 H new ATOM 0 HG1 THR A 46 -8.191 -1.028 3.424 1.00 0.00 H new ATOM 0 HG21 THR A 46 -9.263 -3.753 2.998 1.00 0.00 H new ATOM 0 HG22 THR A 46 -9.563 -3.571 1.254 1.00 0.00 H new ATOM 0 HG23 THR A 46 -8.029 -3.005 1.957 1.00 0.00 H new ATOM 664 N GLU A 47 -11.446 0.799 1.290 1.00 0.00 N ATOM 665 CA GLU A 47 -12.133 2.114 1.463 1.00 0.00 C ATOM 666 C GLU A 47 -11.923 2.708 2.871 1.00 0.00 C ATOM 667 O GLU A 47 -11.811 3.916 3.030 1.00 0.00 O ATOM 668 CB GLU A 47 -13.648 1.980 1.176 1.00 0.00 C ATOM 669 CG GLU A 47 -14.403 3.323 1.133 1.00 0.00 C ATOM 670 CD GLU A 47 -15.921 3.149 0.976 1.00 0.00 C ATOM 671 OE1 GLU A 47 -16.605 2.895 1.987 1.00 0.00 O ATOM 672 OE2 GLU A 47 -16.431 3.227 -0.162 1.00 0.00 O ATOM 0 H GLU A 47 -12.067 0.050 0.983 1.00 0.00 H new ATOM 0 HA GLU A 47 -11.683 2.798 0.744 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -13.782 1.470 0.222 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -14.097 1.348 1.942 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -14.199 3.879 2.048 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -14.023 3.922 0.305 1.00 0.00 H new ATOM 679 N GLU A 48 -11.835 1.809 3.859 1.00 0.00 N ATOM 680 CA GLU A 48 -11.531 2.120 5.266 1.00 0.00 C ATOM 681 C GLU A 48 -10.282 3.042 5.401 1.00 0.00 C ATOM 682 O GLU A 48 -10.306 4.047 6.107 1.00 0.00 O ATOM 683 CB GLU A 48 -11.292 0.758 5.976 1.00 0.00 C ATOM 684 CG GLU A 48 -10.816 0.816 7.434 1.00 0.00 C ATOM 685 CD GLU A 48 -11.854 1.381 8.417 1.00 0.00 C ATOM 686 OE1 GLU A 48 -12.848 0.680 8.715 1.00 0.00 O ATOM 687 OE2 GLU A 48 -11.688 2.521 8.899 1.00 0.00 O ATOM 0 H GLU A 48 -11.978 0.812 3.698 1.00 0.00 H new ATOM 0 HA GLU A 48 -12.357 2.667 5.721 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -12.221 0.190 5.944 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -10.556 0.198 5.399 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -10.539 -0.189 7.754 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -9.914 1.426 7.485 1.00 0.00 H new ATOM 694 N PHE A 49 -9.218 2.683 4.678 1.00 0.00 N ATOM 695 CA PHE A 49 -7.914 3.385 4.716 1.00 0.00 C ATOM 696 C PHE A 49 -7.892 4.697 3.908 1.00 0.00 C ATOM 697 O PHE A 49 -7.200 5.648 4.298 1.00 0.00 O ATOM 698 CB PHE A 49 -6.808 2.406 4.256 1.00 0.00 C ATOM 699 CG PHE A 49 -6.515 1.370 5.327 1.00 0.00 C ATOM 700 CD1 PHE A 49 -7.372 0.296 5.538 1.00 0.00 C ATOM 701 CD2 PHE A 49 -5.421 1.507 6.160 1.00 0.00 C ATOM 702 CE1 PHE A 49 -7.136 -0.615 6.538 1.00 0.00 C ATOM 703 CE2 PHE A 49 -5.193 0.600 7.162 1.00 0.00 C ATOM 704 CZ PHE A 49 -6.047 -0.463 7.353 1.00 0.00 C ATOM 0 H PHE A 49 -9.229 1.888 4.039 1.00 0.00 H new ATOM 0 HA PHE A 49 -7.731 3.695 5.745 1.00 0.00 H new ATOM 0 HB2 PHE A 49 -7.119 1.907 3.338 1.00 0.00 H new ATOM 0 HB3 PHE A 49 -5.899 2.962 4.025 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -8.238 0.176 4.904 1.00 0.00 H new ATOM 0 HD2 PHE A 49 -4.741 2.334 6.021 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -7.808 -1.449 6.681 1.00 0.00 H new ATOM 0 HE2 PHE A 49 -4.336 0.720 7.808 1.00 0.00 H new ATOM 0 HZ PHE A 49 -5.858 -1.174 8.143 1.00 0.00 H new ATOM 714 N LEU A 50 -8.629 4.755 2.784 1.00 0.00 N ATOM 715 CA LEU A 50 -8.768 6.017 2.010 1.00 0.00 C ATOM 716 C LEU A 50 -9.654 7.031 2.781 1.00 0.00 C ATOM 717 O LEU A 50 -9.454 8.246 2.688 1.00 0.00 O ATOM 718 CB LEU A 50 -9.339 5.783 0.579 1.00 0.00 C ATOM 719 CG LEU A 50 -8.441 4.986 -0.424 1.00 0.00 C ATOM 720 CD1 LEU A 50 -8.494 3.479 -0.170 1.00 0.00 C ATOM 721 CD2 LEU A 50 -8.809 5.320 -1.886 1.00 0.00 C ATOM 0 H LEU A 50 -9.133 3.960 2.390 1.00 0.00 H new ATOM 0 HA LEU A 50 -7.765 6.427 1.892 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -10.288 5.256 0.675 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -9.557 6.756 0.138 1.00 0.00 H new ATOM 0 HG LEU A 50 -7.412 5.302 -0.254 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -7.856 2.966 -0.890 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -8.144 3.268 0.841 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -9.520 3.127 -0.280 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -8.169 4.752 -2.561 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -9.851 5.058 -2.068 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -8.667 6.386 -2.063 1.00 0.00 H new ATOM 733 N LEU A 51 -10.627 6.497 3.549 1.00 0.00 N ATOM 734 CA LEU A 51 -11.501 7.285 4.443 1.00 0.00 C ATOM 735 C LEU A 51 -10.755 7.721 5.726 1.00 0.00 C ATOM 736 O LEU A 51 -11.101 8.753 6.303 1.00 0.00 O ATOM 737 CB LEU A 51 -12.800 6.500 4.791 1.00 0.00 C ATOM 738 CG LEU A 51 -13.840 6.344 3.638 1.00 0.00 C ATOM 739 CD1 LEU A 51 -15.097 5.586 4.122 1.00 0.00 C ATOM 740 CD2 LEU A 51 -14.204 7.718 3.027 1.00 0.00 C ATOM 0 H LEU A 51 -10.830 5.497 3.566 1.00 0.00 H new ATOM 0 HA LEU A 51 -11.788 8.190 3.907 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -12.517 5.505 5.135 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -13.288 6.999 5.628 1.00 0.00 H new ATOM 0 HG LEU A 51 -13.382 5.747 2.850 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -15.805 5.492 3.298 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -14.812 4.593 4.471 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -15.562 6.138 4.939 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -14.930 7.579 2.226 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -14.633 8.357 3.799 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -13.306 8.187 2.625 1.00 0.00 H new ATOM 752 N PHE A 52 -9.766 6.915 6.186 1.00 0.00 N ATOM 753 CA PHE A 52 -8.886 7.306 7.320 1.00 0.00 C ATOM 754 C PHE A 52 -8.026 8.531 6.932 1.00 0.00 C ATOM 755 O PHE A 52 -7.943 9.498 7.688 1.00 0.00 O ATOM 756 CB PHE A 52 -7.971 6.135 7.773 1.00 0.00 C ATOM 757 CG PHE A 52 -7.054 6.496 8.958 1.00 0.00 C ATOM 758 CD1 PHE A 52 -7.526 6.445 10.273 1.00 0.00 C ATOM 759 CD2 PHE A 52 -5.731 6.913 8.757 1.00 0.00 C ATOM 760 CE1 PHE A 52 -6.713 6.792 11.338 1.00 0.00 C ATOM 761 CE2 PHE A 52 -4.922 7.260 9.825 1.00 0.00 C ATOM 762 CZ PHE A 52 -5.413 7.198 11.114 1.00 0.00 C ATOM 0 H PHE A 52 -9.557 5.997 5.794 1.00 0.00 H new ATOM 0 HA PHE A 52 -9.530 7.567 8.160 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -8.593 5.284 8.051 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -7.356 5.818 6.931 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -8.542 6.130 10.461 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -5.337 6.964 7.753 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -7.097 6.745 12.346 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -3.905 7.580 9.650 1.00 0.00 H new ATOM 0 HZ PHE A 52 -4.780 7.467 11.947 1.00 0.00 H new ATOM 772 N SER A 53 -7.376 8.450 5.751 1.00 0.00 N ATOM 773 CA SER A 53 -6.572 9.566 5.174 1.00 0.00 C ATOM 774 C SER A 53 -7.438 10.834 5.001 1.00 0.00 C ATOM 775 O SER A 53 -7.014 11.947 5.333 1.00 0.00 O ATOM 776 CB SER A 53 -5.974 9.147 3.809 1.00 0.00 C ATOM 777 OG SER A 53 -5.206 10.195 3.225 1.00 0.00 O ATOM 0 H SER A 53 -7.389 7.614 5.167 1.00 0.00 H new ATOM 0 HA SER A 53 -5.760 9.792 5.865 1.00 0.00 H new ATOM 0 HB2 SER A 53 -5.346 8.266 3.942 1.00 0.00 H new ATOM 0 HB3 SER A 53 -6.779 8.865 3.131 1.00 0.00 H new ATOM 0 HG SER A 53 -4.843 9.895 2.366 1.00 0.00 H new ATOM 1109 N ALA A 74 -10.643 3.142 -3.824 1.00 0.00 N ATOM 1110 CA ALA A 74 -10.718 1.804 -3.213 1.00 0.00 C ATOM 1111 C ALA A 74 -11.099 0.723 -4.255 1.00 0.00 C ATOM 1112 O ALA A 74 -12.192 0.759 -4.829 1.00 0.00 O ATOM 1113 CB ALA A 74 -11.724 1.821 -2.059 1.00 0.00 C ATOM 0 HA ALA A 74 -9.732 1.547 -2.827 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -11.778 0.830 -1.609 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -11.404 2.544 -1.308 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -12.707 2.101 -2.437 1.00 0.00 H new ATOM 1119 N GLY A 75 -10.179 -0.224 -4.493 1.00 0.00 N ATOM 1120 CA GLY A 75 -10.396 -1.305 -5.456 1.00 0.00 C ATOM 1121 C GLY A 75 -9.756 -1.062 -6.826 1.00 0.00 C ATOM 1122 O GLY A 75 -10.194 -1.641 -7.828 1.00 0.00 O ATOM 0 H GLY A 75 -9.273 -0.259 -4.026 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -9.999 -2.231 -5.041 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -11.468 -1.449 -5.589 1.00 0.00 H new ATOM 1126 N ASP A 76 -8.729 -0.191 -6.880 1.00 0.00 N ATOM 1127 CA ASP A 76 -7.870 -0.023 -8.075 1.00 0.00 C ATOM 1128 C ASP A 76 -6.424 -0.478 -7.760 1.00 0.00 C ATOM 1129 O ASP A 76 -5.633 0.276 -7.181 1.00 0.00 O ATOM 1130 CB ASP A 76 -7.878 1.448 -8.578 1.00 0.00 C ATOM 1131 CG ASP A 76 -9.241 1.894 -9.125 1.00 0.00 C ATOM 1132 OD1 ASP A 76 -9.625 1.428 -10.218 1.00 0.00 O ATOM 1133 OD2 ASP A 76 -9.919 2.728 -8.487 1.00 0.00 O ATOM 0 H ASP A 76 -8.470 0.415 -6.101 1.00 0.00 H new ATOM 0 HA ASP A 76 -8.275 -0.648 -8.871 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -7.590 2.107 -7.759 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -7.126 1.562 -9.359 1.00 0.00 H new ATOM 1138 N ARG A 77 -6.097 -1.736 -8.111 1.00 0.00 N ATOM 1139 CA ARG A 77 -4.722 -2.261 -7.986 1.00 0.00 C ATOM 1140 C ARG A 77 -3.967 -2.038 -9.319 1.00 0.00 C ATOM 1141 O ARG A 77 -3.905 -2.934 -10.168 1.00 0.00 O ATOM 1142 CB ARG A 77 -4.786 -3.770 -7.632 1.00 0.00 C ATOM 1143 CG ARG A 77 -3.422 -4.445 -7.360 1.00 0.00 C ATOM 1144 CD ARG A 77 -3.566 -5.951 -7.100 1.00 0.00 C ATOM 1145 NE ARG A 77 -4.167 -6.652 -8.253 1.00 0.00 N ATOM 1146 CZ ARG A 77 -4.387 -7.946 -8.334 1.00 0.00 C ATOM 1147 NH1 ARG A 77 -4.133 -8.739 -7.340 1.00 0.00 N ATOM 1148 NH2 ARG A 77 -4.904 -8.428 -9.411 1.00 0.00 N ATOM 0 H ARG A 77 -6.766 -2.409 -8.484 1.00 0.00 H new ATOM 0 HA ARG A 77 -4.187 -1.738 -7.193 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -5.415 -3.893 -6.751 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -5.277 -4.297 -8.450 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -2.763 -4.286 -8.213 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -2.949 -3.972 -6.499 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -2.586 -6.378 -6.885 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -4.184 -6.110 -6.216 1.00 0.00 H new ATOM 0 HE ARG A 77 -4.435 -6.083 -9.056 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -3.754 -8.362 -6.471 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -4.312 -9.739 -7.427 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -5.137 -7.808 -10.187 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -5.080 -9.430 -9.488 1.00 0.00 H new ATOM 1162 N TRP A 78 -3.377 -0.841 -9.469 1.00 0.00 N ATOM 1163 CA TRP A 78 -2.729 -0.375 -10.736 1.00 0.00 C ATOM 1164 C TRP A 78 -1.900 0.885 -10.442 1.00 0.00 C ATOM 1165 O TRP A 78 -2.472 1.888 -10.015 1.00 0.00 O ATOM 1166 CB TRP A 78 -3.770 -0.001 -11.860 1.00 0.00 C ATOM 1167 CG TRP A 78 -4.448 -1.162 -12.558 1.00 0.00 C ATOM 1168 CD1 TRP A 78 -3.885 -2.018 -13.464 1.00 0.00 C ATOM 1169 CD2 TRP A 78 -5.814 -1.586 -12.408 1.00 0.00 C ATOM 1170 NE1 TRP A 78 -4.811 -2.942 -13.879 1.00 0.00 N ATOM 1171 CE2 TRP A 78 -6.002 -2.698 -13.245 1.00 0.00 C ATOM 1172 CE3 TRP A 78 -6.889 -1.132 -11.641 1.00 0.00 C ATOM 1173 CZ2 TRP A 78 -7.221 -3.360 -13.344 1.00 0.00 C ATOM 1174 CZ3 TRP A 78 -8.099 -1.791 -11.732 1.00 0.00 C ATOM 1175 CH2 TRP A 78 -8.259 -2.897 -12.581 1.00 0.00 C ATOM 0 H TRP A 78 -3.328 -0.154 -8.717 1.00 0.00 H new ATOM 0 HA TRP A 78 -2.116 -1.201 -11.096 1.00 0.00 H new ATOM 0 HB2 TRP A 78 -4.541 0.629 -11.417 1.00 0.00 H new ATOM 0 HB3 TRP A 78 -3.260 0.600 -12.613 1.00 0.00 H new ATOM 0 HD1 TRP A 78 -2.861 -1.973 -13.803 1.00 0.00 H new ATOM 0 HE1 TRP A 78 -4.641 -3.690 -14.551 1.00 0.00 H new ATOM 0 HE3 TRP A 78 -6.776 -0.280 -10.988 1.00 0.00 H new ATOM 0 HZ2 TRP A 78 -7.344 -4.209 -14.000 1.00 0.00 H new ATOM 0 HZ3 TRP A 78 -8.936 -1.450 -11.140 1.00 0.00 H new ATOM 0 HH2 TRP A 78 -9.218 -3.391 -12.633 1.00 0.00 H new ATOM 1186 N CYS A 79 -0.565 0.818 -10.688 1.00 0.00 N ATOM 1187 CA CYS A 79 0.387 1.970 -10.550 1.00 0.00 C ATOM 1188 C CYS A 79 0.174 2.788 -9.238 1.00 0.00 C ATOM 1189 O CYS A 79 0.371 4.010 -9.206 1.00 0.00 O ATOM 1190 CB CYS A 79 0.325 2.893 -11.799 1.00 0.00 C ATOM 1191 SG CYS A 79 -1.248 3.754 -12.046 1.00 0.00 S ATOM 0 H CYS A 79 -0.108 -0.042 -10.991 1.00 0.00 H new ATOM 0 HA CYS A 79 1.386 1.538 -10.482 1.00 0.00 H new ATOM 0 HB2 CYS A 79 1.119 3.636 -11.721 1.00 0.00 H new ATOM 0 HB3 CYS A 79 0.535 2.293 -12.685 1.00 0.00 H new ATOM 0 HG CYS A 79 -2.143 3.262 -11.241 1.00 0.00 H new ATOM 1197 N LEU A 80 -0.224 2.072 -8.163 1.00 0.00 N ATOM 1198 CA LEU A 80 -0.546 2.659 -6.852 1.00 0.00 C ATOM 1199 C LEU A 80 0.707 3.326 -6.247 1.00 0.00 C ATOM 1200 O LEU A 80 1.726 2.661 -6.030 1.00 0.00 O ATOM 1201 CB LEU A 80 -1.168 1.550 -5.915 1.00 0.00 C ATOM 1202 CG LEU A 80 -1.637 1.946 -4.457 1.00 0.00 C ATOM 1203 CD1 LEU A 80 -0.483 1.975 -3.424 1.00 0.00 C ATOM 1204 CD2 LEU A 80 -2.429 3.269 -4.467 1.00 0.00 C ATOM 0 H LEU A 80 -0.331 1.058 -8.186 1.00 0.00 H new ATOM 0 HA LEU A 80 -1.294 3.444 -6.963 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -2.029 1.128 -6.433 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -0.432 0.752 -5.817 1.00 0.00 H new ATOM 0 HG LEU A 80 -2.306 1.152 -4.126 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -0.877 2.254 -2.447 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -0.025 0.988 -3.363 1.00 0.00 H new ATOM 0 HD13 LEU A 80 0.266 2.704 -3.735 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -2.738 3.516 -3.451 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -1.799 4.067 -4.858 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -3.311 3.160 -5.098 1.00 0.00 H new ATOM 1216 N CYS A 81 0.619 4.662 -6.033 1.00 0.00 N ATOM 1217 CA CYS A 81 1.683 5.459 -5.382 1.00 0.00 C ATOM 1218 C CYS A 81 2.069 4.841 -4.031 1.00 0.00 C ATOM 1219 O CYS A 81 1.216 4.734 -3.144 1.00 0.00 O ATOM 1220 CB CYS A 81 1.216 6.916 -5.171 1.00 0.00 C ATOM 1221 SG CYS A 81 2.395 7.949 -4.273 1.00 0.00 S ATOM 0 H CYS A 81 -0.193 5.215 -6.308 1.00 0.00 H new ATOM 0 HA CYS A 81 2.555 5.456 -6.036 1.00 0.00 H new ATOM 0 HB2 CYS A 81 1.022 7.368 -6.144 1.00 0.00 H new ATOM 0 HB3 CYS A 81 0.271 6.908 -4.629 1.00 0.00 H new ATOM 0 HG CYS A 81 1.913 9.150 -4.149 1.00 0.00 H new ATOM 1227 N ALA A 82 3.354 4.438 -3.897 1.00 0.00 N ATOM 1228 CA ALA A 82 3.874 3.714 -2.709 1.00 0.00 C ATOM 1229 C ALA A 82 3.536 4.426 -1.375 1.00 0.00 C ATOM 1230 O ALA A 82 3.308 3.763 -0.373 1.00 0.00 O ATOM 1231 CB ALA A 82 5.395 3.496 -2.837 1.00 0.00 C ATOM 0 H ALA A 82 4.063 4.605 -4.611 1.00 0.00 H new ATOM 0 HA ALA A 82 3.372 2.747 -2.683 1.00 0.00 H new ATOM 0 HB1 ALA A 82 5.762 2.964 -1.959 1.00 0.00 H new ATOM 0 HB2 ALA A 82 5.604 2.908 -3.731 1.00 0.00 H new ATOM 0 HB3 ALA A 82 5.896 4.461 -2.912 1.00 0.00 H new ATOM 1237 N SER A 83 3.457 5.776 -1.402 1.00 0.00 N ATOM 1238 CA SER A 83 3.077 6.600 -0.223 1.00 0.00 C ATOM 1239 C SER A 83 1.692 6.226 0.365 1.00 0.00 C ATOM 1240 O SER A 83 1.510 6.265 1.575 1.00 0.00 O ATOM 1241 CB SER A 83 3.083 8.102 -0.583 1.00 0.00 C ATOM 1242 OG SER A 83 4.388 8.553 -0.916 1.00 0.00 O ATOM 0 H SER A 83 3.654 6.327 -2.237 1.00 0.00 H new ATOM 0 HA SER A 83 3.826 6.390 0.541 1.00 0.00 H new ATOM 0 HB2 SER A 83 2.411 8.278 -1.423 1.00 0.00 H new ATOM 0 HB3 SER A 83 2.701 8.680 0.258 1.00 0.00 H new ATOM 0 HG SER A 83 4.357 9.506 -1.140 1.00 0.00 H new ATOM 1248 N ARG A 84 0.727 5.879 -0.508 1.00 0.00 N ATOM 1249 CA ARG A 84 -0.659 5.524 -0.093 1.00 0.00 C ATOM 1250 C ARG A 84 -0.680 4.297 0.867 1.00 0.00 C ATOM 1251 O ARG A 84 -1.247 4.363 1.964 1.00 0.00 O ATOM 1252 CB ARG A 84 -1.526 5.232 -1.348 1.00 0.00 C ATOM 1253 CG ARG A 84 -3.007 4.882 -1.053 1.00 0.00 C ATOM 1254 CD ARG A 84 -3.866 6.096 -0.659 1.00 0.00 C ATOM 1255 NE ARG A 84 -4.081 7.001 -1.803 1.00 0.00 N ATOM 1256 CZ ARG A 84 -4.031 8.313 -1.764 1.00 0.00 C ATOM 1257 NH1 ARG A 84 -3.737 8.947 -0.671 1.00 0.00 N ATOM 1258 NH2 ARG A 84 -4.260 8.987 -2.839 1.00 0.00 N ATOM 0 H ARG A 84 0.877 5.835 -1.516 1.00 0.00 H new ATOM 0 HA ARG A 84 -1.073 6.374 0.450 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -1.497 6.104 -2.002 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -1.076 4.406 -1.898 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -3.442 4.412 -1.935 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -3.044 4.147 -0.249 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -4.829 5.754 -0.279 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -3.379 6.640 0.150 1.00 0.00 H new ATOM 0 HE ARG A 84 -4.287 6.570 -2.704 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -3.538 8.426 0.183 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -3.704 9.966 -0.666 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -4.478 8.501 -3.709 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -4.224 10.006 -2.819 1.00 0.00 H new ATOM 1272 N TRP A 85 -0.044 3.191 0.432 1.00 0.00 N ATOM 1273 CA TRP A 85 0.039 1.931 1.212 1.00 0.00 C ATOM 1274 C TRP A 85 1.066 2.062 2.378 1.00 0.00 C ATOM 1275 O TRP A 85 0.748 1.767 3.538 1.00 0.00 O ATOM 1276 CB TRP A 85 0.351 0.722 0.242 1.00 0.00 C ATOM 1277 CG TRP A 85 1.237 -0.360 0.824 1.00 0.00 C ATOM 1278 CD1 TRP A 85 2.511 -0.639 0.454 1.00 0.00 C ATOM 1279 CD2 TRP A 85 0.936 -1.263 1.902 1.00 0.00 C ATOM 1280 NE1 TRP A 85 3.034 -1.618 1.252 1.00 0.00 N ATOM 1281 CE2 TRP A 85 2.086 -2.029 2.135 1.00 0.00 C ATOM 1282 CE3 TRP A 85 -0.181 -1.493 2.689 1.00 0.00 C ATOM 1283 CZ2 TRP A 85 2.153 -2.993 3.130 1.00 0.00 C ATOM 1284 CZ3 TRP A 85 -0.118 -2.458 3.671 1.00 0.00 C ATOM 1285 CH2 TRP A 85 1.041 -3.201 3.884 1.00 0.00 C ATOM 0 H TRP A 85 0.429 3.142 -0.471 1.00 0.00 H new ATOM 0 HA TRP A 85 -0.923 1.729 1.683 1.00 0.00 H new ATOM 0 HB2 TRP A 85 -0.592 0.271 -0.065 1.00 0.00 H new ATOM 0 HB3 TRP A 85 0.825 1.112 -0.658 1.00 0.00 H new ATOM 0 HD1 TRP A 85 3.038 -0.156 -0.356 1.00 0.00 H new ATOM 0 HE1 TRP A 85 3.985 -1.982 1.194 1.00 0.00 H new ATOM 0 HE3 TRP A 85 -1.087 -0.925 2.535 1.00 0.00 H new ATOM 0 HZ2 TRP A 85 3.057 -3.559 3.300 1.00 0.00 H new ATOM 0 HZ3 TRP A 85 -0.985 -2.642 4.288 1.00 0.00 H new ATOM 0 HH2 TRP A 85 1.056 -3.953 4.659 1.00 0.00 H new ATOM 1296 N GLN A 86 2.288 2.512 2.038 1.00 0.00 N ATOM 1297 CA GLN A 86 3.437 2.553 2.974 1.00 0.00 C ATOM 1298 C GLN A 86 3.188 3.463 4.189 1.00 0.00 C ATOM 1299 O GLN A 86 3.525 3.095 5.302 1.00 0.00 O ATOM 1300 CB GLN A 86 4.733 2.988 2.236 1.00 0.00 C ATOM 1301 CG GLN A 86 6.014 3.085 3.116 1.00 0.00 C ATOM 1302 CD GLN A 86 6.336 1.826 3.940 1.00 0.00 C ATOM 1303 OE1 GLN A 86 6.017 0.710 3.572 1.00 0.00 O ATOM 1304 NE2 GLN A 86 6.970 2.009 5.075 1.00 0.00 N ATOM 0 H GLN A 86 2.511 2.859 1.105 1.00 0.00 H new ATOM 0 HA GLN A 86 3.560 1.539 3.354 1.00 0.00 H new ATOM 0 HB2 GLN A 86 4.923 2.282 1.428 1.00 0.00 H new ATOM 0 HB3 GLN A 86 4.557 3.960 1.775 1.00 0.00 H new ATOM 0 HG2 GLN A 86 6.864 3.305 2.470 1.00 0.00 H new ATOM 0 HG3 GLN A 86 5.905 3.929 3.798 1.00 0.00 H new ATOM 0 HE21 GLN A 86 7.230 2.951 5.368 1.00 0.00 H new ATOM 0 HE22 GLN A 86 7.203 1.209 5.664 1.00 0.00 H new ATOM 1313 N GLU A 87 2.594 4.641 3.972 1.00 0.00 N ATOM 1314 CA GLU A 87 2.343 5.608 5.070 1.00 0.00 C ATOM 1315 C GLU A 87 1.248 5.099 6.038 1.00 0.00 C ATOM 1316 O GLU A 87 1.278 5.406 7.234 1.00 0.00 O ATOM 1317 CB GLU A 87 1.974 6.987 4.488 1.00 0.00 C ATOM 1318 CG GLU A 87 1.892 8.128 5.508 1.00 0.00 C ATOM 1319 CD GLU A 87 1.539 9.468 4.850 1.00 0.00 C ATOM 1320 OE1 GLU A 87 0.342 9.732 4.641 1.00 0.00 O ATOM 1321 OE2 GLU A 87 2.456 10.257 4.532 1.00 0.00 O ATOM 0 H GLU A 87 2.276 4.956 3.055 1.00 0.00 H new ATOM 0 HA GLU A 87 3.260 5.709 5.650 1.00 0.00 H new ATOM 0 HB2 GLU A 87 2.711 7.252 3.730 1.00 0.00 H new ATOM 0 HB3 GLU A 87 1.012 6.904 3.982 1.00 0.00 H new ATOM 0 HG2 GLU A 87 1.142 7.886 6.262 1.00 0.00 H new ATOM 0 HG3 GLU A 87 2.847 8.220 6.026 1.00 0.00 H new ATOM 1328 N ALA A 88 0.294 4.310 5.502 1.00 0.00 N ATOM 1329 CA ALA A 88 -0.697 3.572 6.323 1.00 0.00 C ATOM 1330 C ALA A 88 0.010 2.532 7.237 1.00 0.00 C ATOM 1331 O ALA A 88 -0.416 2.294 8.372 1.00 0.00 O ATOM 1332 CB ALA A 88 -1.733 2.885 5.417 1.00 0.00 C ATOM 0 H ALA A 88 0.186 4.165 4.498 1.00 0.00 H new ATOM 0 HA ALA A 88 -1.216 4.286 6.963 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -2.454 2.347 6.032 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -2.252 3.637 4.823 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -1.228 2.184 4.753 1.00 0.00 H new ATOM 1338 N PHE A 89 1.103 1.938 6.716 1.00 0.00 N ATOM 1339 CA PHE A 89 1.957 0.986 7.455 1.00 0.00 C ATOM 1340 C PHE A 89 2.811 1.707 8.532 1.00 0.00 C ATOM 1341 O PHE A 89 2.919 1.236 9.666 1.00 0.00 O ATOM 1342 CB PHE A 89 2.853 0.206 6.447 1.00 0.00 C ATOM 1343 CG PHE A 89 3.724 -0.879 7.080 1.00 0.00 C ATOM 1344 CD1 PHE A 89 3.183 -2.121 7.410 1.00 0.00 C ATOM 1345 CD2 PHE A 89 5.075 -0.657 7.360 1.00 0.00 C ATOM 1346 CE1 PHE A 89 3.959 -3.095 7.998 1.00 0.00 C ATOM 1347 CE2 PHE A 89 5.843 -1.637 7.953 1.00 0.00 C ATOM 1348 CZ PHE A 89 5.288 -2.855 8.268 1.00 0.00 C ATOM 0 H PHE A 89 1.420 2.107 5.762 1.00 0.00 H new ATOM 0 HA PHE A 89 1.319 0.277 7.983 1.00 0.00 H new ATOM 0 HB2 PHE A 89 2.214 -0.253 5.693 1.00 0.00 H new ATOM 0 HB3 PHE A 89 3.498 0.916 5.929 1.00 0.00 H new ATOM 0 HD1 PHE A 89 2.142 -2.322 7.202 1.00 0.00 H new ATOM 0 HD2 PHE A 89 5.523 0.293 7.109 1.00 0.00 H new ATOM 0 HE1 PHE A 89 3.524 -4.051 8.248 1.00 0.00 H new ATOM 0 HE2 PHE A 89 6.884 -1.447 8.171 1.00 0.00 H new ATOM 0 HZ PHE A 89 5.894 -3.623 8.727 1.00 0.00 H new ATOM 1358 N GLU A 90 3.390 2.863 8.154 1.00 0.00 N ATOM 1359 CA GLU A 90 4.282 3.668 9.030 1.00 0.00 C ATOM 1360 C GLU A 90 3.512 4.257 10.227 1.00 0.00 C ATOM 1361 O GLU A 90 4.031 4.314 11.342 1.00 0.00 O ATOM 1362 CB GLU A 90 4.947 4.808 8.207 1.00 0.00 C ATOM 1363 CG GLU A 90 5.843 4.307 7.063 1.00 0.00 C ATOM 1364 CD GLU A 90 6.409 5.427 6.178 1.00 0.00 C ATOM 1365 OE1 GLU A 90 5.625 6.080 5.463 1.00 0.00 O ATOM 1366 OE2 GLU A 90 7.637 5.657 6.188 1.00 0.00 O ATOM 0 H GLU A 90 3.255 3.272 7.229 1.00 0.00 H new ATOM 0 HA GLU A 90 5.055 3.008 9.422 1.00 0.00 H new ATOM 0 HB2 GLU A 90 4.167 5.446 7.792 1.00 0.00 H new ATOM 0 HB3 GLU A 90 5.543 5.428 8.878 1.00 0.00 H new ATOM 0 HG2 GLU A 90 6.671 3.738 7.486 1.00 0.00 H new ATOM 0 HG3 GLU A 90 5.270 3.620 6.440 1.00 0.00 H new ATOM 1373 N ALA A 91 2.263 4.684 9.970 1.00 0.00 N ATOM 1374 CA ALA A 91 1.354 5.196 11.022 1.00 0.00 C ATOM 1375 C ALA A 91 0.857 4.058 11.958 1.00 0.00 C ATOM 1376 O ALA A 91 0.408 4.325 13.078 1.00 0.00 O ATOM 1377 CB ALA A 91 0.178 5.950 10.379 1.00 0.00 C ATOM 0 H ALA A 91 1.853 4.686 9.036 1.00 0.00 H new ATOM 0 HA ALA A 91 1.913 5.893 11.647 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -0.485 6.323 11.159 1.00 0.00 H new ATOM 0 HB2 ALA A 91 0.559 6.788 9.795 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -0.374 5.274 9.726 1.00 0.00 H new ATOM 1383 N GLY A 92 0.934 2.790 11.480 1.00 0.00 N ATOM 1384 CA GLY A 92 0.691 1.604 12.328 1.00 0.00 C ATOM 1385 C GLY A 92 -0.416 0.667 11.836 1.00 0.00 C ATOM 1386 O GLY A 92 -0.451 -0.505 12.231 1.00 0.00 O ATOM 0 H GLY A 92 1.163 2.567 10.511 1.00 0.00 H new ATOM 0 HA2 GLY A 92 1.618 1.036 12.405 1.00 0.00 H new ATOM 0 HA3 GLY A 92 0.439 1.941 13.333 1.00 0.00 H new ATOM 1390 N MET A 93 -1.330 1.170 10.986 1.00 0.00 N ATOM 1391 CA MET A 93 -2.547 0.417 10.580 1.00 0.00 C ATOM 1392 C MET A 93 -2.243 -0.600 9.435 1.00 0.00 C ATOM 1393 O MET A 93 -2.073 -1.790 9.712 1.00 0.00 O ATOM 1394 CB MET A 93 -3.689 1.393 10.179 1.00 0.00 C ATOM 1395 CG MET A 93 -3.951 2.550 11.161 1.00 0.00 C ATOM 1396 SD MET A 93 -2.722 3.865 11.013 1.00 0.00 S ATOM 1397 CE MET A 93 -2.942 4.357 9.296 1.00 0.00 C ATOM 0 H MET A 93 -1.255 2.095 10.563 1.00 0.00 H new ATOM 0 HA MET A 93 -2.881 -0.162 11.441 1.00 0.00 H new ATOM 0 HB2 MET A 93 -3.455 1.816 9.202 1.00 0.00 H new ATOM 0 HB3 MET A 93 -4.609 0.820 10.067 1.00 0.00 H new ATOM 0 HG2 MET A 93 -4.944 2.961 10.978 1.00 0.00 H new ATOM 0 HG3 MET A 93 -3.948 2.166 12.181 1.00 0.00 H new ATOM 0 HE1 MET A 93 -2.518 5.350 9.145 1.00 0.00 H new ATOM 0 HE2 MET A 93 -2.436 3.644 8.645 1.00 0.00 H new ATOM 0 HE3 MET A 93 -4.005 4.376 9.056 1.00 0.00 H new ATOM 1407 N ALA A 94 -2.169 -0.100 8.167 1.00 0.00 N ATOM 1408 CA ALA A 94 -1.862 -0.906 6.941 1.00 0.00 C ATOM 1409 C ALA A 94 -2.954 -1.965 6.573 1.00 0.00 C ATOM 1410 O ALA A 94 -3.303 -2.806 7.405 1.00 0.00 O ATOM 1411 CB ALA A 94 -0.495 -1.585 7.060 1.00 0.00 C ATOM 0 H ALA A 94 -2.323 0.887 7.962 1.00 0.00 H new ATOM 0 HA ALA A 94 -1.850 -0.185 6.124 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -0.296 -2.163 6.158 1.00 0.00 H new ATOM 0 HB2 ALA A 94 0.278 -0.827 7.183 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -0.493 -2.249 7.924 1.00 0.00 H new ATOM 1417 N PRO A 95 -3.516 -1.936 5.316 1.00 0.00 N ATOM 1418 CA PRO A 95 -4.450 -2.992 4.818 1.00 0.00 C ATOM 1419 C PRO A 95 -3.714 -4.305 4.383 1.00 0.00 C ATOM 1420 O PRO A 95 -2.476 -4.359 4.384 1.00 0.00 O ATOM 1421 CB PRO A 95 -5.135 -2.282 3.614 1.00 0.00 C ATOM 1422 CG PRO A 95 -4.066 -1.390 3.071 1.00 0.00 C ATOM 1423 CD PRO A 95 -3.328 -0.863 4.292 1.00 0.00 C ATOM 0 HA PRO A 95 -5.146 -3.337 5.582 1.00 0.00 H new ATOM 0 HB2 PRO A 95 -5.475 -2.999 2.867 1.00 0.00 H new ATOM 0 HB3 PRO A 95 -6.009 -1.712 3.930 1.00 0.00 H new ATOM 0 HG2 PRO A 95 -3.394 -1.938 2.411 1.00 0.00 H new ATOM 0 HG3 PRO A 95 -4.493 -0.575 2.487 1.00 0.00 H new ATOM 0 HD2 PRO A 95 -2.272 -0.694 4.079 1.00 0.00 H new ATOM 0 HD3 PRO A 95 -3.741 0.088 4.629 1.00 0.00 H new ATOM 1431 N PRO A 96 -4.464 -5.411 4.062 1.00 0.00 N ATOM 1432 CA PRO A 96 -3.866 -6.613 3.421 1.00 0.00 C ATOM 1433 C PRO A 96 -3.445 -6.348 1.937 1.00 0.00 C ATOM 1434 O PRO A 96 -4.293 -6.186 1.047 1.00 0.00 O ATOM 1435 CB PRO A 96 -4.996 -7.672 3.536 1.00 0.00 C ATOM 1436 CG PRO A 96 -6.268 -6.875 3.606 1.00 0.00 C ATOM 1437 CD PRO A 96 -5.917 -5.608 4.356 1.00 0.00 C ATOM 0 HA PRO A 96 -2.939 -6.931 3.898 1.00 0.00 H new ATOM 0 HB2 PRO A 96 -4.997 -8.343 2.677 1.00 0.00 H new ATOM 0 HB3 PRO A 96 -4.868 -8.291 4.424 1.00 0.00 H new ATOM 0 HG2 PRO A 96 -6.643 -6.648 2.608 1.00 0.00 H new ATOM 0 HG3 PRO A 96 -7.051 -7.431 4.122 1.00 0.00 H new ATOM 0 HD2 PRO A 96 -6.513 -4.762 4.013 1.00 0.00 H new ATOM 0 HD3 PRO A 96 -6.098 -5.713 5.426 1.00 0.00 H new ATOM 1445 N VAL A 97 -2.120 -6.275 1.695 1.00 0.00 N ATOM 1446 CA VAL A 97 -1.545 -6.069 0.349 1.00 0.00 C ATOM 1447 C VAL A 97 -1.136 -7.423 -0.283 1.00 0.00 C ATOM 1448 O VAL A 97 -0.825 -8.393 0.427 1.00 0.00 O ATOM 1449 CB VAL A 97 -0.304 -5.090 0.408 1.00 0.00 C ATOM 1450 CG1 VAL A 97 0.837 -5.681 1.268 1.00 0.00 C ATOM 1451 CG2 VAL A 97 0.206 -4.695 -1.009 1.00 0.00 C ATOM 0 H VAL A 97 -1.417 -6.357 2.429 1.00 0.00 H new ATOM 0 HA VAL A 97 -2.310 -5.611 -0.278 1.00 0.00 H new ATOM 0 HB VAL A 97 -0.648 -4.174 0.888 1.00 0.00 H new ATOM 0 HG11 VAL A 97 1.675 -4.984 1.289 1.00 0.00 H new ATOM 0 HG12 VAL A 97 0.478 -5.847 2.284 1.00 0.00 H new ATOM 0 HG13 VAL A 97 1.163 -6.628 0.839 1.00 0.00 H new ATOM 0 HG21 VAL A 97 1.058 -4.022 -0.914 1.00 0.00 H new ATOM 0 HG22 VAL A 97 0.510 -5.592 -1.549 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -0.592 -4.194 -1.557 1.00 0.00 H new ATOM 1461 N VAL A 98 -1.175 -7.489 -1.621 1.00 0.00 N ATOM 1462 CA VAL A 98 -0.682 -8.656 -2.374 1.00 0.00 C ATOM 1463 C VAL A 98 0.866 -8.688 -2.429 1.00 0.00 C ATOM 1464 O VAL A 98 1.544 -7.686 -2.170 1.00 0.00 O ATOM 1465 CB VAL A 98 -1.240 -8.692 -3.849 1.00 0.00 C ATOM 1466 CG1 VAL A 98 -2.781 -8.660 -3.878 1.00 0.00 C ATOM 1467 CG2 VAL A 98 -0.646 -7.561 -4.718 1.00 0.00 C ATOM 0 H VAL A 98 -1.545 -6.743 -2.210 1.00 0.00 H new ATOM 0 HA VAL A 98 -1.046 -9.532 -1.836 1.00 0.00 H new ATOM 0 HB VAL A 98 -0.920 -9.640 -4.282 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -3.126 -8.686 -4.912 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -3.173 -9.525 -3.343 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -3.135 -7.746 -3.400 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -1.057 -7.623 -5.726 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -0.900 -6.595 -4.281 1.00 0.00 H new ATOM 0 HG23 VAL A 98 0.438 -7.666 -4.761 1.00 0.00 H new ATOM 1477 N LEU A 99 1.402 -9.862 -2.764 1.00 0.00 N ATOM 1478 CA LEU A 99 2.831 -10.048 -3.101 1.00 0.00 C ATOM 1479 C LEU A 99 2.986 -10.568 -4.548 1.00 0.00 C ATOM 1480 O LEU A 99 4.091 -10.610 -5.092 1.00 0.00 O ATOM 1481 CB LEU A 99 3.469 -11.042 -2.098 1.00 0.00 C ATOM 1482 CG LEU A 99 3.494 -10.562 -0.617 1.00 0.00 C ATOM 1483 CD1 LEU A 99 4.028 -11.659 0.318 1.00 0.00 C ATOM 1484 CD2 LEU A 99 4.305 -9.261 -0.483 1.00 0.00 C ATOM 0 H LEU A 99 0.859 -10.724 -2.812 1.00 0.00 H new ATOM 0 HA LEU A 99 3.342 -9.088 -3.032 1.00 0.00 H new ATOM 0 HB2 LEU A 99 2.924 -11.985 -2.149 1.00 0.00 H new ATOM 0 HB3 LEU A 99 4.492 -11.247 -2.414 1.00 0.00 H new ATOM 0 HG LEU A 99 2.469 -10.351 -0.312 1.00 0.00 H new ATOM 0 HD11 LEU A 99 4.033 -11.292 1.344 1.00 0.00 H new ATOM 0 HD12 LEU A 99 3.388 -12.538 0.250 1.00 0.00 H new ATOM 0 HD13 LEU A 99 5.043 -11.926 0.024 1.00 0.00 H new ATOM 0 HD21 LEU A 99 4.311 -8.942 0.559 1.00 0.00 H new ATOM 0 HD22 LEU A 99 5.329 -9.434 -0.815 1.00 0.00 H new ATOM 0 HD23 LEU A 99 3.851 -8.484 -1.098 1.00 0.00 H new ATOM 1496 N GLN A 100 1.851 -10.942 -5.160 1.00 0.00 N ATOM 1497 CA GLN A 100 1.806 -11.624 -6.469 1.00 0.00 C ATOM 1498 C GLN A 100 1.798 -10.588 -7.614 1.00 0.00 C ATOM 1499 O GLN A 100 2.557 -10.701 -8.582 1.00 0.00 O ATOM 1500 CB GLN A 100 0.546 -12.551 -6.551 1.00 0.00 C ATOM 1501 CG GLN A 100 0.323 -13.472 -5.314 1.00 0.00 C ATOM 1502 CD GLN A 100 -0.340 -12.770 -4.113 1.00 0.00 C ATOM 1503 OE1 GLN A 100 -1.190 -11.902 -4.283 1.00 0.00 O ATOM 1504 NE2 GLN A 100 0.111 -13.050 -2.909 1.00 0.00 N ATOM 0 H GLN A 100 0.928 -10.779 -4.758 1.00 0.00 H new ATOM 0 HA GLN A 100 2.697 -12.243 -6.575 1.00 0.00 H new ATOM 0 HB2 GLN A 100 -0.337 -11.927 -6.684 1.00 0.00 H new ATOM 0 HB3 GLN A 100 0.631 -13.176 -7.440 1.00 0.00 H new ATOM 0 HG2 GLN A 100 -0.296 -14.318 -5.612 1.00 0.00 H new ATOM 0 HG3 GLN A 100 1.285 -13.876 -4.998 1.00 0.00 H new ATOM 0 HE21 GLN A 100 0.818 -13.775 -2.785 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -0.246 -12.542 -2.100 1.00 0.00 H new ATOM 1513 N SER A 101 0.927 -9.576 -7.475 1.00 0.00 N ATOM 1514 CA SER A 101 0.788 -8.479 -8.466 1.00 0.00 C ATOM 1515 C SER A 101 1.803 -7.338 -8.213 1.00 0.00 C ATOM 1516 O SER A 101 2.234 -6.679 -9.161 1.00 0.00 O ATOM 1517 CB SER A 101 -0.659 -7.931 -8.455 1.00 0.00 C ATOM 1518 OG SER A 101 -0.838 -6.838 -9.353 1.00 0.00 O ATOM 0 H SER A 101 0.297 -9.488 -6.677 1.00 0.00 H new ATOM 0 HA SER A 101 1.006 -8.893 -9.450 1.00 0.00 H new ATOM 0 HB2 SER A 101 -1.349 -8.732 -8.721 1.00 0.00 H new ATOM 0 HB3 SER A 101 -0.915 -7.612 -7.445 1.00 0.00 H new ATOM 0 HG SER A 101 -1.767 -6.529 -9.311 1.00 0.00 H new ATOM 1524 N THR A 102 2.155 -7.092 -6.929 1.00 0.00 N ATOM 1525 CA THR A 102 3.178 -6.068 -6.555 1.00 0.00 C ATOM 1526 C THR A 102 4.561 -6.377 -7.198 1.00 0.00 C ATOM 1527 O THR A 102 5.191 -7.393 -6.873 1.00 0.00 O ATOM 1528 CB THR A 102 3.349 -5.960 -4.997 1.00 0.00 C ATOM 1529 OG1 THR A 102 2.066 -5.832 -4.369 1.00 0.00 O ATOM 1530 CG2 THR A 102 4.217 -4.752 -4.594 1.00 0.00 C ATOM 0 H THR A 102 1.751 -7.583 -6.132 1.00 0.00 H new ATOM 0 HA THR A 102 2.812 -5.116 -6.939 1.00 0.00 H new ATOM 0 HB THR A 102 3.848 -6.871 -4.666 1.00 0.00 H new ATOM 0 HG1 THR A 102 1.992 -6.483 -3.640 1.00 0.00 H new ATOM 0 HG21 THR A 102 4.309 -4.716 -3.508 1.00 0.00 H new ATOM 0 HG22 THR A 102 5.207 -4.851 -5.039 1.00 0.00 H new ATOM 0 HG23 THR A 102 3.750 -3.834 -4.949 1.00 0.00 H new ATOM 1538 N GLU A 103 5.016 -5.492 -8.109 1.00 0.00 N ATOM 1539 CA GLU A 103 6.248 -5.699 -8.909 1.00 0.00 C ATOM 1540 C GLU A 103 7.542 -5.377 -8.117 1.00 0.00 C ATOM 1541 O GLU A 103 7.504 -4.762 -7.048 1.00 0.00 O ATOM 1542 CB GLU A 103 6.206 -4.862 -10.222 1.00 0.00 C ATOM 1543 CG GLU A 103 4.972 -5.110 -11.145 1.00 0.00 C ATOM 1544 CD GLU A 103 3.824 -4.079 -10.978 1.00 0.00 C ATOM 1545 OE1 GLU A 103 3.448 -3.768 -9.837 1.00 0.00 O ATOM 1546 OE2 GLU A 103 3.303 -3.567 -12.001 1.00 0.00 O ATOM 0 H GLU A 103 4.542 -4.612 -8.313 1.00 0.00 H new ATOM 0 HA GLU A 103 6.276 -6.760 -9.157 1.00 0.00 H new ATOM 0 HB2 GLU A 103 6.232 -3.805 -9.958 1.00 0.00 H new ATOM 0 HB3 GLU A 103 7.111 -5.070 -10.793 1.00 0.00 H new ATOM 0 HG2 GLU A 103 5.303 -5.100 -12.183 1.00 0.00 H new ATOM 0 HG3 GLU A 103 4.579 -6.107 -10.945 1.00 0.00 H new ATOM 1553 N LYS A 104 8.690 -5.778 -8.700 1.00 0.00 N ATOM 1554 CA LYS A 104 10.028 -5.684 -8.055 1.00 0.00 C ATOM 1555 C LYS A 104 10.492 -4.208 -7.878 1.00 0.00 C ATOM 1556 O LYS A 104 11.277 -3.910 -6.975 1.00 0.00 O ATOM 1557 CB LYS A 104 11.050 -6.528 -8.890 1.00 0.00 C ATOM 1558 CG LYS A 104 12.337 -7.014 -8.154 1.00 0.00 C ATOM 1559 CD LYS A 104 13.440 -5.933 -8.004 1.00 0.00 C ATOM 1560 CE LYS A 104 14.713 -6.478 -7.341 1.00 0.00 C ATOM 1561 NZ LYS A 104 15.329 -7.570 -8.140 1.00 0.00 N ATOM 0 H LYS A 104 8.722 -6.179 -9.637 1.00 0.00 H new ATOM 0 HA LYS A 104 9.967 -6.093 -7.046 1.00 0.00 H new ATOM 0 HB2 LYS A 104 10.530 -7.404 -9.276 1.00 0.00 H new ATOM 0 HB3 LYS A 104 11.356 -5.934 -9.751 1.00 0.00 H new ATOM 0 HG2 LYS A 104 12.060 -7.372 -7.163 1.00 0.00 H new ATOM 0 HG3 LYS A 104 12.751 -7.864 -8.696 1.00 0.00 H new ATOM 0 HD2 LYS A 104 13.689 -5.534 -8.987 1.00 0.00 H new ATOM 0 HD3 LYS A 104 13.053 -5.104 -7.412 1.00 0.00 H new ATOM 0 HE2 LYS A 104 15.433 -5.669 -7.216 1.00 0.00 H new ATOM 0 HE3 LYS A 104 14.473 -6.848 -6.344 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 16.288 -7.761 -7.786 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 14.751 -8.431 -8.055 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 15.379 -7.284 -9.139 1.00 0.00 H new ATOM 1575 N SER A 105 9.981 -3.288 -8.722 1.00 0.00 N ATOM 1576 CA SER A 105 10.311 -1.835 -8.626 1.00 0.00 C ATOM 1577 C SER A 105 9.845 -1.234 -7.286 1.00 0.00 C ATOM 1578 O SER A 105 10.498 -0.335 -6.733 1.00 0.00 O ATOM 1579 CB SER A 105 9.684 -1.058 -9.799 1.00 0.00 C ATOM 1580 OG SER A 105 9.934 0.344 -9.735 1.00 0.00 O ATOM 0 H SER A 105 9.338 -3.517 -9.480 1.00 0.00 H new ATOM 0 HA SER A 105 11.396 -1.743 -8.677 1.00 0.00 H new ATOM 0 HB2 SER A 105 10.076 -1.449 -10.738 1.00 0.00 H new ATOM 0 HB3 SER A 105 8.608 -1.230 -9.807 1.00 0.00 H new ATOM 0 HG SER A 105 9.198 0.828 -10.164 1.00 0.00 H new ATOM 1586 N ALA A 106 8.722 -1.763 -6.768 1.00 0.00 N ATOM 1587 CA ALA A 106 8.183 -1.403 -5.442 1.00 0.00 C ATOM 1588 C ALA A 106 9.201 -1.673 -4.308 1.00 0.00 C ATOM 1589 O ALA A 106 9.294 -0.911 -3.360 1.00 0.00 O ATOM 1590 CB ALA A 106 6.883 -2.175 -5.183 1.00 0.00 C ATOM 0 H ALA A 106 8.159 -2.457 -7.260 1.00 0.00 H new ATOM 0 HA ALA A 106 7.979 -0.332 -5.446 1.00 0.00 H new ATOM 0 HB1 ALA A 106 6.489 -1.906 -4.203 1.00 0.00 H new ATOM 0 HB2 ALA A 106 6.151 -1.923 -5.950 1.00 0.00 H new ATOM 0 HB3 ALA A 106 7.084 -3.246 -5.212 1.00 0.00 H new ATOM 1596 N LEU A 107 9.996 -2.735 -4.452 1.00 0.00 N ATOM 1597 CA LEU A 107 10.961 -3.198 -3.416 1.00 0.00 C ATOM 1598 C LEU A 107 12.102 -2.176 -3.133 1.00 0.00 C ATOM 1599 O LEU A 107 12.859 -2.340 -2.173 1.00 0.00 O ATOM 1600 CB LEU A 107 11.546 -4.587 -3.816 1.00 0.00 C ATOM 1601 CG LEU A 107 10.628 -5.840 -3.597 1.00 0.00 C ATOM 1602 CD1 LEU A 107 9.220 -5.693 -4.228 1.00 0.00 C ATOM 1603 CD2 LEU A 107 11.334 -7.127 -4.091 1.00 0.00 C ATOM 0 H LEU A 107 9.999 -3.312 -5.293 1.00 0.00 H new ATOM 0 HA LEU A 107 10.404 -3.290 -2.483 1.00 0.00 H new ATOM 0 HB2 LEU A 107 11.819 -4.548 -4.871 1.00 0.00 H new ATOM 0 HB3 LEU A 107 12.467 -4.740 -3.254 1.00 0.00 H new ATOM 0 HG LEU A 107 10.463 -5.918 -2.522 1.00 0.00 H new ATOM 0 HD11 LEU A 107 8.640 -6.596 -4.038 1.00 0.00 H new ATOM 0 HD12 LEU A 107 8.712 -4.835 -3.787 1.00 0.00 H new ATOM 0 HD13 LEU A 107 9.317 -5.544 -5.303 1.00 0.00 H new ATOM 0 HD21 LEU A 107 10.681 -7.985 -3.930 1.00 0.00 H new ATOM 0 HD22 LEU A 107 11.557 -7.035 -5.154 1.00 0.00 H new ATOM 0 HD23 LEU A 107 12.262 -7.269 -3.537 1.00 0.00 H new ATOM 1615 N ARG A 108 12.213 -1.136 -3.968 1.00 0.00 N ATOM 1616 CA ARG A 108 13.153 -0.014 -3.754 1.00 0.00 C ATOM 1617 C ARG A 108 12.478 1.175 -3.033 1.00 0.00 C ATOM 1618 O ARG A 108 13.136 1.921 -2.301 1.00 0.00 O ATOM 1619 CB ARG A 108 13.740 0.426 -5.111 1.00 0.00 C ATOM 1620 CG ARG A 108 14.634 -0.647 -5.768 1.00 0.00 C ATOM 1621 CD ARG A 108 15.242 -0.175 -7.097 1.00 0.00 C ATOM 1622 NE ARG A 108 15.879 1.141 -6.987 1.00 0.00 N ATOM 1623 CZ ARG A 108 17.063 1.385 -6.480 1.00 0.00 C ATOM 1624 NH1 ARG A 108 17.840 0.436 -6.059 1.00 0.00 N ATOM 1625 NH2 ARG A 108 17.456 2.601 -6.398 1.00 0.00 N ATOM 0 H ARG A 108 11.654 -1.043 -4.816 1.00 0.00 H new ATOM 0 HA ARG A 108 13.958 -0.358 -3.105 1.00 0.00 H new ATOM 0 HB2 ARG A 108 12.923 0.673 -5.789 1.00 0.00 H new ATOM 0 HB3 ARG A 108 14.322 1.336 -4.969 1.00 0.00 H new ATOM 0 HG2 ARG A 108 15.436 -0.917 -5.081 1.00 0.00 H new ATOM 0 HG3 ARG A 108 14.046 -1.548 -5.941 1.00 0.00 H new ATOM 0 HD2 ARG A 108 15.978 -0.904 -7.435 1.00 0.00 H new ATOM 0 HD3 ARG A 108 14.461 -0.135 -7.856 1.00 0.00 H new ATOM 0 HE ARG A 108 15.352 1.941 -7.337 1.00 0.00 H new ATOM 0 HH11 ARG A 108 17.536 -0.536 -6.117 1.00 0.00 H new ATOM 0 HH12 ARG A 108 18.756 0.661 -5.670 1.00 0.00 H new ATOM 0 HH21 ARG A 108 16.852 3.355 -6.724 1.00 0.00 H new ATOM 0 HH22 ARG A 108 18.373 2.815 -6.007 1.00 0.00 H new ATOM 1639 N TYR A 109 11.161 1.323 -3.225 1.00 0.00 N ATOM 1640 CA TYR A 109 10.393 2.491 -2.722 1.00 0.00 C ATOM 1641 C TYR A 109 9.714 2.172 -1.376 1.00 0.00 C ATOM 1642 O TYR A 109 9.888 2.890 -0.388 1.00 0.00 O ATOM 1643 CB TYR A 109 9.335 2.905 -3.786 1.00 0.00 C ATOM 1644 CG TYR A 109 9.901 3.064 -5.210 1.00 0.00 C ATOM 1645 CD1 TYR A 109 11.201 3.546 -5.430 1.00 0.00 C ATOM 1646 CD2 TYR A 109 9.147 2.707 -6.332 1.00 0.00 C ATOM 1647 CE1 TYR A 109 11.709 3.672 -6.702 1.00 0.00 C ATOM 1648 CE2 TYR A 109 9.657 2.839 -7.606 1.00 0.00 C ATOM 1649 CZ TYR A 109 10.942 3.309 -7.781 1.00 0.00 C ATOM 1650 OH TYR A 109 11.456 3.428 -9.040 1.00 0.00 O ATOM 0 H TYR A 109 10.591 0.645 -3.730 1.00 0.00 H new ATOM 0 HA TYR A 109 11.081 3.320 -2.553 1.00 0.00 H new ATOM 0 HB2 TYR A 109 8.542 2.157 -3.804 1.00 0.00 H new ATOM 0 HB3 TYR A 109 8.879 3.847 -3.481 1.00 0.00 H new ATOM 0 HD1 TYR A 109 11.814 3.823 -4.585 1.00 0.00 H new ATOM 0 HD2 TYR A 109 8.147 2.321 -6.198 1.00 0.00 H new ATOM 0 HE1 TYR A 109 12.708 4.055 -6.851 1.00 0.00 H new ATOM 0 HE2 TYR A 109 9.054 2.576 -8.462 1.00 0.00 H new ATOM 0 HH TYR A 109 10.791 3.130 -9.695 1.00 0.00 H new ATOM 1660 N VAL A 110 8.943 1.077 -1.368 1.00 0.00 N ATOM 1661 CA VAL A 110 8.185 0.613 -0.191 1.00 0.00 C ATOM 1662 C VAL A 110 8.916 -0.542 0.538 1.00 0.00 C ATOM 1663 O VAL A 110 8.696 -0.759 1.726 1.00 0.00 O ATOM 1664 CB VAL A 110 6.741 0.151 -0.618 1.00 0.00 C ATOM 1665 CG1 VAL A 110 6.756 -1.086 -1.549 1.00 0.00 C ATOM 1666 CG2 VAL A 110 5.866 -0.119 0.604 1.00 0.00 C ATOM 0 H VAL A 110 8.824 0.479 -2.186 1.00 0.00 H new ATOM 0 HA VAL A 110 8.105 1.451 0.501 1.00 0.00 H new ATOM 0 HB VAL A 110 6.313 0.977 -1.187 1.00 0.00 H new ATOM 0 HG11 VAL A 110 5.733 -1.358 -1.810 1.00 0.00 H new ATOM 0 HG12 VAL A 110 7.312 -0.851 -2.457 1.00 0.00 H new ATOM 0 HG13 VAL A 110 7.234 -1.921 -1.037 1.00 0.00 H new ATOM 0 HG21 VAL A 110 4.875 -0.436 0.279 1.00 0.00 H new ATOM 0 HG22 VAL A 110 6.318 -0.905 1.209 1.00 0.00 H new ATOM 0 HG23 VAL A 110 5.779 0.791 1.198 1.00 0.00 H new ATOM 1676 N SER A 111 9.776 -1.262 -0.214 1.00 0.00 N ATOM 1677 CA SER A 111 10.485 -2.486 0.236 1.00 0.00 C ATOM 1678 C SER A 111 9.536 -3.688 0.420 1.00 0.00 C ATOM 1679 O SER A 111 8.372 -3.543 0.802 1.00 0.00 O ATOM 1680 CB SER A 111 11.343 -2.269 1.510 1.00 0.00 C ATOM 1681 OG SER A 111 11.975 -3.471 1.940 1.00 0.00 O ATOM 0 H SER A 111 10.004 -1.005 -1.174 1.00 0.00 H new ATOM 0 HA SER A 111 11.173 -2.722 -0.576 1.00 0.00 H new ATOM 0 HB2 SER A 111 12.102 -1.512 1.311 1.00 0.00 H new ATOM 0 HB3 SER A 111 10.711 -1.885 2.311 1.00 0.00 H new ATOM 0 HG SER A 111 12.507 -3.292 2.743 1.00 0.00 H new ATOM 1687 N LEU A 112 10.080 -4.880 0.147 1.00 0.00 N ATOM 1688 CA LEU A 112 9.371 -6.165 0.278 1.00 0.00 C ATOM 1689 C LEU A 112 8.917 -6.434 1.727 1.00 0.00 C ATOM 1690 O LEU A 112 7.808 -6.915 1.951 1.00 0.00 O ATOM 1691 CB LEU A 112 10.297 -7.296 -0.254 1.00 0.00 C ATOM 1692 CG LEU A 112 9.844 -8.790 -0.039 1.00 0.00 C ATOM 1693 CD1 LEU A 112 10.281 -9.697 -1.212 1.00 0.00 C ATOM 1694 CD2 LEU A 112 10.374 -9.356 1.310 1.00 0.00 C ATOM 0 H LEU A 112 11.042 -4.984 -0.177 1.00 0.00 H new ATOM 0 HA LEU A 112 8.458 -6.131 -0.316 1.00 0.00 H new ATOM 0 HB2 LEU A 112 10.433 -7.140 -1.324 1.00 0.00 H new ATOM 0 HB3 LEU A 112 11.274 -7.174 0.213 1.00 0.00 H new ATOM 0 HG LEU A 112 8.755 -8.787 -0.005 1.00 0.00 H new ATOM 0 HD11 LEU A 112 9.950 -10.718 -1.025 1.00 0.00 H new ATOM 0 HD12 LEU A 112 9.835 -9.334 -2.138 1.00 0.00 H new ATOM 0 HD13 LEU A 112 11.367 -9.679 -1.301 1.00 0.00 H new ATOM 0 HD21 LEU A 112 10.043 -10.388 1.427 1.00 0.00 H new ATOM 0 HD22 LEU A 112 11.463 -9.321 1.316 1.00 0.00 H new ATOM 0 HD23 LEU A 112 9.987 -8.756 2.134 1.00 0.00 H new ATOM 1706 N ALA A 113 9.786 -6.107 2.696 1.00 0.00 N ATOM 1707 CA ALA A 113 9.572 -6.443 4.123 1.00 0.00 C ATOM 1708 C ALA A 113 8.279 -5.808 4.683 1.00 0.00 C ATOM 1709 O ALA A 113 7.542 -6.442 5.440 1.00 0.00 O ATOM 1710 CB ALA A 113 10.787 -5.992 4.934 1.00 0.00 C ATOM 0 H ALA A 113 10.656 -5.604 2.519 1.00 0.00 H new ATOM 0 HA ALA A 113 9.453 -7.523 4.205 1.00 0.00 H new ATOM 0 HB1 ALA A 113 10.634 -6.237 5.985 1.00 0.00 H new ATOM 0 HB2 ALA A 113 11.678 -6.502 4.568 1.00 0.00 H new ATOM 0 HB3 ALA A 113 10.916 -4.915 4.828 1.00 0.00 H new ATOM 1716 N ASP A 114 8.009 -4.566 4.258 1.00 0.00 N ATOM 1717 CA ASP A 114 6.819 -3.804 4.675 1.00 0.00 C ATOM 1718 C ASP A 114 5.526 -4.421 4.080 1.00 0.00 C ATOM 1719 O ASP A 114 4.476 -4.425 4.735 1.00 0.00 O ATOM 1720 CB ASP A 114 6.983 -2.324 4.251 1.00 0.00 C ATOM 1721 CG ASP A 114 8.250 -1.667 4.845 1.00 0.00 C ATOM 1722 OD1 ASP A 114 9.373 -2.055 4.446 1.00 0.00 O ATOM 1723 OD2 ASP A 114 8.142 -0.772 5.716 1.00 0.00 O ATOM 0 H ASP A 114 8.612 -4.057 3.612 1.00 0.00 H new ATOM 0 HA ASP A 114 6.727 -3.851 5.760 1.00 0.00 H new ATOM 0 HB2 ASP A 114 7.025 -2.265 3.163 1.00 0.00 H new ATOM 0 HB3 ASP A 114 6.105 -1.761 4.567 1.00 0.00 H new ATOM 1728 N LEU A 115 5.645 -4.990 2.853 1.00 0.00 N ATOM 1729 CA LEU A 115 4.535 -5.680 2.157 1.00 0.00 C ATOM 1730 C LEU A 115 4.140 -6.961 2.934 1.00 0.00 C ATOM 1731 O LEU A 115 2.994 -7.141 3.358 1.00 0.00 O ATOM 1732 CB LEU A 115 4.965 -6.094 0.721 1.00 0.00 C ATOM 1733 CG LEU A 115 5.580 -5.003 -0.199 1.00 0.00 C ATOM 1734 CD1 LEU A 115 6.115 -5.623 -1.506 1.00 0.00 C ATOM 1735 CD2 LEU A 115 4.578 -3.886 -0.496 1.00 0.00 C ATOM 0 H LEU A 115 6.515 -4.982 2.321 1.00 0.00 H new ATOM 0 HA LEU A 115 3.690 -4.993 2.104 1.00 0.00 H new ATOM 0 HB2 LEU A 115 5.690 -6.903 0.810 1.00 0.00 H new ATOM 0 HB3 LEU A 115 4.090 -6.503 0.215 1.00 0.00 H new ATOM 0 HG LEU A 115 6.418 -4.558 0.336 1.00 0.00 H new ATOM 0 HD11 LEU A 115 6.540 -4.839 -2.133 1.00 0.00 H new ATOM 0 HD12 LEU A 115 6.885 -6.358 -1.272 1.00 0.00 H new ATOM 0 HD13 LEU A 115 5.298 -6.110 -2.038 1.00 0.00 H new ATOM 0 HD21 LEU A 115 5.044 -3.142 -1.142 1.00 0.00 H new ATOM 0 HD22 LEU A 115 3.704 -4.304 -0.996 1.00 0.00 H new ATOM 0 HD23 LEU A 115 4.271 -3.415 0.438 1.00 0.00 H new ATOM 1747 N GLN A 116 5.161 -7.812 3.136 1.00 0.00 N ATOM 1748 CA GLN A 116 5.031 -9.163 3.728 1.00 0.00 C ATOM 1749 C GLN A 116 4.653 -9.136 5.222 1.00 0.00 C ATOM 1750 O GLN A 116 4.089 -10.100 5.740 1.00 0.00 O ATOM 1751 CB GLN A 116 6.361 -9.929 3.515 1.00 0.00 C ATOM 1752 CG GLN A 116 6.821 -9.974 2.035 1.00 0.00 C ATOM 1753 CD GLN A 116 7.541 -11.263 1.616 1.00 0.00 C ATOM 1754 OE1 GLN A 116 8.213 -11.895 2.403 1.00 0.00 O ATOM 1755 NE2 GLN A 116 7.418 -11.641 0.359 1.00 0.00 N ATOM 0 H GLN A 116 6.122 -7.578 2.888 1.00 0.00 H new ATOM 0 HA GLN A 116 4.211 -9.673 3.222 1.00 0.00 H new ATOM 0 HB2 GLN A 116 7.141 -9.460 4.115 1.00 0.00 H new ATOM 0 HB3 GLN A 116 6.246 -10.949 3.882 1.00 0.00 H new ATOM 0 HG2 GLN A 116 5.949 -9.839 1.395 1.00 0.00 H new ATOM 0 HG3 GLN A 116 7.485 -9.129 1.851 1.00 0.00 H new ATOM 0 HE21 GLN A 116 6.847 -11.093 -0.285 1.00 0.00 H new ATOM 0 HE22 GLN A 116 7.894 -12.481 0.030 1.00 0.00 H new ATOM 1764 N ALA A 117 4.988 -8.023 5.896 1.00 0.00 N ATOM 1765 CA ALA A 117 4.610 -7.783 7.315 1.00 0.00 C ATOM 1766 C ALA A 117 3.065 -7.763 7.544 1.00 0.00 C ATOM 1767 O ALA A 117 2.602 -7.985 8.669 1.00 0.00 O ATOM 1768 CB ALA A 117 5.238 -6.476 7.807 1.00 0.00 C ATOM 0 H ALA A 117 5.526 -7.262 5.482 1.00 0.00 H new ATOM 0 HA ALA A 117 4.997 -8.622 7.893 1.00 0.00 H new ATOM 0 HB1 ALA A 117 4.957 -6.306 8.846 1.00 0.00 H new ATOM 0 HB2 ALA A 117 6.323 -6.542 7.730 1.00 0.00 H new ATOM 0 HB3 ALA A 117 4.881 -5.648 7.195 1.00 0.00 H new ATOM 1774 N HIS A 118 2.275 -7.474 6.485 1.00 0.00 N ATOM 1775 CA HIS A 118 0.781 -7.531 6.535 1.00 0.00 C ATOM 1776 C HIS A 118 0.195 -8.601 5.582 1.00 0.00 C ATOM 1777 O HIS A 118 -0.983 -8.963 5.715 1.00 0.00 O ATOM 1778 CB HIS A 118 0.157 -6.130 6.261 1.00 0.00 C ATOM 1779 CG HIS A 118 -0.060 -5.321 7.508 1.00 0.00 C ATOM 1780 ND1 HIS A 118 0.965 -4.785 8.249 1.00 0.00 N ATOM 1781 CD2 HIS A 118 -1.199 -5.010 8.170 1.00 0.00 C ATOM 1782 CE1 HIS A 118 0.470 -4.171 9.303 1.00 0.00 C ATOM 1783 NE2 HIS A 118 -0.835 -4.297 9.278 1.00 0.00 N ATOM 0 H HIS A 118 2.643 -7.196 5.575 1.00 0.00 H new ATOM 0 HA HIS A 118 0.512 -7.833 7.547 1.00 0.00 H new ATOM 0 HB2 HIS A 118 0.809 -5.576 5.586 1.00 0.00 H new ATOM 0 HB3 HIS A 118 -0.797 -6.259 5.749 1.00 0.00 H new ATOM 0 HD2 HIS A 118 -2.205 -5.275 7.878 1.00 0.00 H new ATOM 0 HE1 HIS A 118 1.041 -3.652 10.059 1.00 0.00 H new ATOM 0 HE2 HIS A 118 -1.478 -3.922 9.976 1.00 0.00 H new ATOM 1792 N ALA A 119 0.998 -9.082 4.616 1.00 0.00 N ATOM 1793 CA ALA A 119 0.630 -10.248 3.776 1.00 0.00 C ATOM 1794 C ALA A 119 0.940 -11.573 4.523 1.00 0.00 C ATOM 1795 O ALA A 119 1.628 -11.563 5.551 1.00 0.00 O ATOM 1796 CB ALA A 119 1.362 -10.181 2.433 1.00 0.00 C ATOM 0 H ALA A 119 1.910 -8.683 4.393 1.00 0.00 H new ATOM 0 HA ALA A 119 -0.442 -10.220 3.579 1.00 0.00 H new ATOM 0 HB1 ALA A 119 1.085 -11.042 1.824 1.00 0.00 H new ATOM 0 HB2 ALA A 119 1.085 -9.264 1.913 1.00 0.00 H new ATOM 0 HB3 ALA A 119 2.438 -10.190 2.604 1.00 0.00 H new