USER MOD reduce.3.24.130724 H: found=0, std=0, add=444, rem=0, adj=16 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 Set 1.1: A 81 CYS SG : rot 180:sc= 0.813 USER MOD Set 1.2: A 83 SER OG : rot -66:sc= 1.07 USER MOD Single : A 40 THR OG1 : rot 37:sc= 0.573 USER MOD Single : A 42 CYS SG : rot 72:sc= 0.0877 USER MOD Single : A 45 MET CE :methyl -174:sc= -2.01 (180deg=-2.21) USER MOD Single : A 46 THR OG1 : rot 180:sc= -0.152 USER MOD Single : A 53 SER OG : rot 73:sc= 0.162 USER MOD Single : A 79 CYS SG : rot -31:sc= -0.0751 USER MOD Single : A 86 GLN : amide:sc= -2.44! C(o=-2.4!,f=-3.5!) USER MOD Single : A 93 MET CE :methyl 136:sc= -0.292 (180deg=-0.822) USER MOD Single : A 100 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 102 THR OG1 : rot -43:sc= 1.09 USER MOD Single : A 104 LYS NZ :NH3+ -170:sc= -0.0285 (180deg=-0.149) 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= -0.142 X(o=-0.14,f=-0.26) USER MOD Single : A 118 HIS : no HE2:sc= -0.952 K(o=-0.95,f=-2.2) USER MOD ----------------------------------------------------------------- ATOM 567 N THR A 40 7.513 0.043 -11.852 1.00 0.00 N ATOM 568 CA THR A 40 6.243 -0.721 -11.884 1.00 0.00 C ATOM 569 C THR A 40 5.713 -1.030 -10.451 1.00 0.00 C ATOM 570 O THR A 40 6.370 -1.738 -9.679 1.00 0.00 O ATOM 571 CB THR A 40 6.477 -2.074 -12.639 1.00 0.00 C ATOM 572 OG1 THR A 40 7.532 -2.813 -11.993 1.00 0.00 O ATOM 573 CG2 THR A 40 6.860 -1.866 -14.113 1.00 0.00 C ATOM 0 HA THR A 40 5.499 -0.111 -12.397 1.00 0.00 H new ATOM 0 HB THR A 40 5.536 -2.623 -12.606 1.00 0.00 H new ATOM 0 HG1 THR A 40 7.475 -2.684 -11.023 1.00 0.00 H new ATOM 0 HG21 THR A 40 7.011 -2.834 -14.590 1.00 0.00 H new ATOM 0 HG22 THR A 40 6.060 -1.330 -14.625 1.00 0.00 H new ATOM 0 HG23 THR A 40 7.781 -1.286 -14.171 1.00 0.00 H new ATOM 581 N VAL A 41 4.528 -0.484 -10.084 1.00 0.00 N ATOM 582 CA VAL A 41 3.875 -0.775 -8.770 1.00 0.00 C ATOM 583 C VAL A 41 2.340 -0.986 -8.940 1.00 0.00 C ATOM 584 O VAL A 41 1.619 -0.074 -9.368 1.00 0.00 O ATOM 585 CB VAL A 41 4.106 0.362 -7.687 1.00 0.00 C ATOM 586 CG1 VAL A 41 3.476 -0.037 -6.321 1.00 0.00 C ATOM 587 CG2 VAL A 41 5.609 0.720 -7.515 1.00 0.00 C ATOM 0 H VAL A 41 4.000 0.160 -10.674 1.00 0.00 H new ATOM 0 HA VAL A 41 4.349 -1.688 -8.411 1.00 0.00 H new ATOM 0 HB VAL A 41 3.604 1.257 -8.056 1.00 0.00 H new ATOM 0 HG11 VAL A 41 3.647 0.758 -5.595 1.00 0.00 H new ATOM 0 HG12 VAL A 41 2.404 -0.190 -6.446 1.00 0.00 H new ATOM 0 HG13 VAL A 41 3.935 -0.959 -5.964 1.00 0.00 H new ATOM 0 HG21 VAL A 41 5.713 1.502 -6.763 1.00 0.00 H new ATOM 0 HG22 VAL A 41 6.160 -0.165 -7.196 1.00 0.00 H new ATOM 0 HG23 VAL A 41 6.010 1.074 -8.465 1.00 0.00 H new ATOM 597 N CYS A 42 1.864 -2.197 -8.600 1.00 0.00 N ATOM 598 CA CYS A 42 0.424 -2.515 -8.458 1.00 0.00 C ATOM 599 C CYS A 42 0.159 -2.905 -6.989 1.00 0.00 C ATOM 600 O CYS A 42 0.546 -3.987 -6.560 1.00 0.00 O ATOM 601 CB CYS A 42 0.027 -3.699 -9.383 1.00 0.00 C ATOM 602 SG CYS A 42 0.448 -3.463 -11.122 1.00 0.00 S ATOM 0 H CYS A 42 2.472 -2.994 -8.413 1.00 0.00 H new ATOM 0 HA CYS A 42 -0.168 -1.645 -8.742 1.00 0.00 H new ATOM 0 HB2 CYS A 42 0.516 -4.604 -9.023 1.00 0.00 H new ATOM 0 HB3 CYS A 42 -1.047 -3.863 -9.301 1.00 0.00 H new ATOM 0 HG CYS A 42 1.736 -3.551 -11.272 1.00 0.00 H new ATOM 608 N ALA A 43 -0.521 -2.034 -6.230 1.00 0.00 N ATOM 609 CA ALA A 43 -0.777 -2.246 -4.783 1.00 0.00 C ATOM 610 C ALA A 43 -2.221 -1.847 -4.478 1.00 0.00 C ATOM 611 O ALA A 43 -2.756 -0.945 -5.125 1.00 0.00 O ATOM 612 CB ALA A 43 0.221 -1.433 -3.928 1.00 0.00 C ATOM 0 H ALA A 43 -0.911 -1.164 -6.592 1.00 0.00 H new ATOM 0 HA ALA A 43 -0.634 -3.297 -4.532 1.00 0.00 H new ATOM 0 HB1 ALA A 43 0.016 -1.602 -2.871 1.00 0.00 H new ATOM 0 HB2 ALA A 43 1.238 -1.751 -4.156 1.00 0.00 H new ATOM 0 HB3 ALA A 43 0.113 -0.372 -4.153 1.00 0.00 H new ATOM 618 N GLU A 44 -2.860 -2.508 -3.503 1.00 0.00 N ATOM 619 CA GLU A 44 -4.300 -2.311 -3.266 1.00 0.00 C ATOM 620 C GLU A 44 -4.570 -1.684 -1.892 1.00 0.00 C ATOM 621 O GLU A 44 -4.260 -2.277 -0.853 1.00 0.00 O ATOM 622 CB GLU A 44 -5.062 -3.642 -3.427 1.00 0.00 C ATOM 623 CG GLU A 44 -6.561 -3.434 -3.631 1.00 0.00 C ATOM 624 CD GLU A 44 -7.328 -4.728 -3.947 1.00 0.00 C ATOM 625 OE1 GLU A 44 -7.682 -5.471 -3.006 1.00 0.00 O ATOM 626 OE2 GLU A 44 -7.562 -5.016 -5.140 1.00 0.00 O ATOM 0 H GLU A 44 -2.413 -3.174 -2.873 1.00 0.00 H new ATOM 0 HA GLU A 44 -4.666 -1.611 -4.016 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -4.655 -4.190 -4.277 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -4.901 -4.259 -2.543 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -6.982 -2.983 -2.732 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -6.713 -2.724 -4.444 1.00 0.00 H new ATOM 633 N MET A 45 -5.142 -0.467 -1.908 1.00 0.00 N ATOM 634 CA MET A 45 -5.568 0.239 -0.693 1.00 0.00 C ATOM 635 C MET A 45 -7.095 0.143 -0.560 1.00 0.00 C ATOM 636 O MET A 45 -7.829 0.556 -1.467 1.00 0.00 O ATOM 637 CB MET A 45 -5.121 1.729 -0.727 1.00 0.00 C ATOM 638 CG MET A 45 -3.688 1.935 -1.247 1.00 0.00 C ATOM 639 SD MET A 45 -2.455 1.063 -0.262 1.00 0.00 S ATOM 640 CE MET A 45 -2.717 1.784 1.358 1.00 0.00 C ATOM 0 H MET A 45 -5.321 0.053 -2.767 1.00 0.00 H new ATOM 0 HA MET A 45 -5.096 -0.230 0.170 1.00 0.00 H new ATOM 0 HB2 MET A 45 -5.810 2.291 -1.357 1.00 0.00 H new ATOM 0 HB3 MET A 45 -5.196 2.144 0.278 1.00 0.00 H new ATOM 0 HG2 MET A 45 -3.629 1.593 -2.280 1.00 0.00 H new ATOM 0 HG3 MET A 45 -3.457 3.000 -1.250 1.00 0.00 H new ATOM 0 HE1 MET A 45 -1.955 1.419 2.046 1.00 0.00 H new ATOM 0 HE2 MET A 45 -2.653 2.870 1.288 1.00 0.00 H new ATOM 0 HE3 MET A 45 -3.703 1.502 1.726 1.00 0.00 H new ATOM 650 N THR A 46 -7.559 -0.388 0.574 1.00 0.00 N ATOM 651 CA THR A 46 -8.992 -0.545 0.860 1.00 0.00 C ATOM 652 C THR A 46 -9.589 0.778 1.370 1.00 0.00 C ATOM 653 O THR A 46 -8.850 1.714 1.731 1.00 0.00 O ATOM 654 CB THR A 46 -9.231 -1.659 1.937 1.00 0.00 C ATOM 655 OG1 THR A 46 -8.589 -1.295 3.169 1.00 0.00 O ATOM 656 CG2 THR A 46 -8.711 -3.037 1.479 1.00 0.00 C ATOM 0 H THR A 46 -6.952 -0.723 1.323 1.00 0.00 H new ATOM 0 HA THR A 46 -9.482 -0.834 -0.070 1.00 0.00 H new ATOM 0 HB THR A 46 -10.308 -1.740 2.082 1.00 0.00 H new ATOM 0 HG1 THR A 46 -8.744 -1.994 3.838 1.00 0.00 H new ATOM 0 HG21 THR A 46 -8.900 -3.775 2.259 1.00 0.00 H new ATOM 0 HG22 THR A 46 -9.226 -3.335 0.566 1.00 0.00 H new ATOM 0 HG23 THR A 46 -7.640 -2.977 1.288 1.00 0.00 H new ATOM 664 N GLU A 47 -10.933 0.842 1.409 1.00 0.00 N ATOM 665 CA GLU A 47 -11.668 2.036 1.889 1.00 0.00 C ATOM 666 C GLU A 47 -11.277 2.392 3.330 1.00 0.00 C ATOM 667 O GLU A 47 -11.309 3.553 3.707 1.00 0.00 O ATOM 668 CB GLU A 47 -13.200 1.830 1.772 1.00 0.00 C ATOM 669 CG GLU A 47 -14.024 3.114 1.964 1.00 0.00 C ATOM 670 CD GLU A 47 -15.533 2.891 1.806 1.00 0.00 C ATOM 671 OE1 GLU A 47 -16.043 2.969 0.666 1.00 0.00 O ATOM 672 OE2 GLU A 47 -16.218 2.640 2.818 1.00 0.00 O ATOM 0 H GLU A 47 -11.539 0.077 1.112 1.00 0.00 H new ATOM 0 HA GLU A 47 -11.387 2.873 1.250 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -13.425 1.410 0.792 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -13.514 1.095 2.513 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -13.825 3.521 2.955 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -13.696 3.861 1.241 1.00 0.00 H new ATOM 679 N GLU A 48 -10.900 1.365 4.105 1.00 0.00 N ATOM 680 CA GLU A 48 -10.432 1.488 5.486 1.00 0.00 C ATOM 681 C GLU A 48 -9.316 2.577 5.643 1.00 0.00 C ATOM 682 O GLU A 48 -9.487 3.529 6.409 1.00 0.00 O ATOM 683 CB GLU A 48 -9.941 0.089 5.934 1.00 0.00 C ATOM 684 CG GLU A 48 -9.492 -0.014 7.391 1.00 0.00 C ATOM 685 CD GLU A 48 -10.590 0.349 8.413 1.00 0.00 C ATOM 686 OE1 GLU A 48 -11.576 -0.410 8.535 1.00 0.00 O ATOM 687 OE2 GLU A 48 -10.484 1.399 9.084 1.00 0.00 O ATOM 0 H GLU A 48 -10.914 0.400 3.775 1.00 0.00 H new ATOM 0 HA GLU A 48 -11.249 1.825 6.124 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -10.744 -0.629 5.768 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -9.110 -0.208 5.294 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -9.152 -1.031 7.585 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -8.636 0.643 7.544 1.00 0.00 H new ATOM 694 N PHE A 49 -8.202 2.463 4.880 1.00 0.00 N ATOM 695 CA PHE A 49 -7.121 3.492 4.908 1.00 0.00 C ATOM 696 C PHE A 49 -7.555 4.823 4.243 1.00 0.00 C ATOM 697 O PHE A 49 -7.175 5.899 4.704 1.00 0.00 O ATOM 698 CB PHE A 49 -5.815 2.984 4.242 1.00 0.00 C ATOM 699 CG PHE A 49 -4.718 4.064 4.134 1.00 0.00 C ATOM 700 CD1 PHE A 49 -4.192 4.670 5.283 1.00 0.00 C ATOM 701 CD2 PHE A 49 -4.255 4.510 2.890 1.00 0.00 C ATOM 702 CE1 PHE A 49 -3.231 5.662 5.186 1.00 0.00 C ATOM 703 CE2 PHE A 49 -3.297 5.502 2.798 1.00 0.00 C ATOM 704 CZ PHE A 49 -2.785 6.080 3.945 1.00 0.00 C ATOM 0 H PHE A 49 -8.025 1.684 4.246 1.00 0.00 H new ATOM 0 HA PHE A 49 -6.926 3.682 5.963 1.00 0.00 H new ATOM 0 HB2 PHE A 49 -5.429 2.141 4.815 1.00 0.00 H new ATOM 0 HB3 PHE A 49 -6.047 2.612 3.244 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -4.541 4.359 6.257 1.00 0.00 H new ATOM 0 HD2 PHE A 49 -4.653 4.071 1.987 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -2.828 6.111 6.082 1.00 0.00 H new ATOM 0 HE2 PHE A 49 -2.948 5.826 1.829 1.00 0.00 H new ATOM 0 HZ PHE A 49 -2.038 6.857 3.872 1.00 0.00 H new ATOM 714 N LEU A 50 -8.306 4.748 3.143 1.00 0.00 N ATOM 715 CA LEU A 50 -8.766 5.957 2.408 1.00 0.00 C ATOM 716 C LEU A 50 -9.771 6.800 3.263 1.00 0.00 C ATOM 717 O LEU A 50 -9.900 8.011 3.068 1.00 0.00 O ATOM 718 CB LEU A 50 -9.318 5.551 1.001 1.00 0.00 C ATOM 719 CG LEU A 50 -8.256 5.332 -0.125 1.00 0.00 C ATOM 720 CD1 LEU A 50 -7.265 4.217 0.232 1.00 0.00 C ATOM 721 CD2 LEU A 50 -8.937 5.071 -1.491 1.00 0.00 C ATOM 0 H LEU A 50 -8.616 3.868 2.731 1.00 0.00 H new ATOM 0 HA LEU A 50 -7.917 6.618 2.233 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -9.893 4.632 1.112 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -10.012 6.323 0.670 1.00 0.00 H new ATOM 0 HG LEU A 50 -7.679 6.253 -0.211 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -6.545 4.098 -0.577 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -6.739 4.478 1.150 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -7.806 3.282 0.377 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -8.174 4.922 -2.255 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -9.561 4.180 -1.422 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -9.556 5.927 -1.758 1.00 0.00 H new ATOM 733 N LEU A 51 -10.463 6.131 4.215 1.00 0.00 N ATOM 734 CA LEU A 51 -11.329 6.782 5.231 1.00 0.00 C ATOM 735 C LEU A 51 -10.468 7.456 6.328 1.00 0.00 C ATOM 736 O LEU A 51 -10.842 8.507 6.850 1.00 0.00 O ATOM 737 CB LEU A 51 -12.317 5.748 5.864 1.00 0.00 C ATOM 738 CG LEU A 51 -13.568 5.364 5.008 1.00 0.00 C ATOM 739 CD1 LEU A 51 -14.365 4.215 5.664 1.00 0.00 C ATOM 740 CD2 LEU A 51 -14.474 6.594 4.763 1.00 0.00 C ATOM 0 H LEU A 51 -10.437 5.115 4.302 1.00 0.00 H new ATOM 0 HA LEU A 51 -11.918 7.553 4.733 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -11.762 4.836 6.085 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -12.665 6.148 6.817 1.00 0.00 H new ATOM 0 HG LEU A 51 -13.210 5.011 4.041 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -15.228 3.971 5.045 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -13.726 3.337 5.758 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -14.703 4.525 6.653 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -15.336 6.298 4.165 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -14.815 6.991 5.719 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -13.910 7.361 4.232 1.00 0.00 H new ATOM 752 N PHE A 52 -9.323 6.827 6.672 1.00 0.00 N ATOM 753 CA PHE A 52 -8.309 7.431 7.573 1.00 0.00 C ATOM 754 C PHE A 52 -7.764 8.746 6.963 1.00 0.00 C ATOM 755 O PHE A 52 -7.778 9.793 7.608 1.00 0.00 O ATOM 756 CB PHE A 52 -7.166 6.416 7.834 1.00 0.00 C ATOM 757 CG PHE A 52 -6.020 6.945 8.701 1.00 0.00 C ATOM 758 CD1 PHE A 52 -6.180 7.107 10.079 1.00 0.00 C ATOM 759 CD2 PHE A 52 -4.785 7.282 8.138 1.00 0.00 C ATOM 760 CE1 PHE A 52 -5.147 7.588 10.861 1.00 0.00 C ATOM 761 CE2 PHE A 52 -3.757 7.763 8.923 1.00 0.00 C ATOM 762 CZ PHE A 52 -3.938 7.916 10.284 1.00 0.00 C ATOM 0 H PHE A 52 -9.074 5.896 6.339 1.00 0.00 H new ATOM 0 HA PHE A 52 -8.775 7.674 8.528 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -7.587 5.532 8.313 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -6.759 6.095 6.875 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -7.123 6.853 10.539 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -4.634 7.164 7.075 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -5.287 7.707 11.925 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -2.810 8.020 8.473 1.00 0.00 H new ATOM 0 HZ PHE A 52 -3.132 8.293 10.897 1.00 0.00 H new ATOM 772 N SER A 53 -7.331 8.663 5.695 1.00 0.00 N ATOM 773 CA SER A 53 -6.831 9.816 4.908 1.00 0.00 C ATOM 774 C SER A 53 -7.902 10.927 4.779 1.00 0.00 C ATOM 775 O SER A 53 -7.581 12.122 4.739 1.00 0.00 O ATOM 776 CB SER A 53 -6.398 9.333 3.504 1.00 0.00 C ATOM 777 OG SER A 53 -5.450 8.276 3.589 1.00 0.00 O ATOM 0 H SER A 53 -7.316 7.785 5.176 1.00 0.00 H new ATOM 0 HA SER A 53 -5.976 10.241 5.434 1.00 0.00 H new ATOM 0 HB2 SER A 53 -7.273 8.996 2.948 1.00 0.00 H new ATOM 0 HB3 SER A 53 -5.968 10.166 2.948 1.00 0.00 H new ATOM 0 HG SER A 53 -5.901 7.454 3.873 1.00 0.00 H new ATOM 1109 N ALA A 74 -11.226 2.865 -3.960 1.00 0.00 N ATOM 1110 CA ALA A 74 -10.868 2.016 -2.815 1.00 0.00 C ATOM 1111 C ALA A 74 -10.996 0.516 -3.169 1.00 0.00 C ATOM 1112 O ALA A 74 -12.105 -0.018 -3.282 1.00 0.00 O ATOM 1113 CB ALA A 74 -11.737 2.390 -1.614 1.00 0.00 C ATOM 0 HA ALA A 74 -9.824 2.188 -2.555 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -11.473 1.761 -0.764 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -11.571 3.436 -1.357 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -12.787 2.240 -1.864 1.00 0.00 H new ATOM 1119 N GLY A 75 -9.840 -0.141 -3.358 1.00 0.00 N ATOM 1120 CA GLY A 75 -9.772 -1.554 -3.736 1.00 0.00 C ATOM 1121 C GLY A 75 -9.318 -1.781 -5.185 1.00 0.00 C ATOM 1122 O GLY A 75 -9.693 -2.780 -5.806 1.00 0.00 O ATOM 0 H GLY A 75 -8.926 0.298 -3.252 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -9.085 -2.069 -3.064 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -10.754 -2.007 -3.596 1.00 0.00 H new ATOM 1126 N ASP A 76 -8.521 -0.839 -5.735 1.00 0.00 N ATOM 1127 CA ASP A 76 -7.851 -1.008 -7.046 1.00 0.00 C ATOM 1128 C ASP A 76 -6.338 -1.284 -6.871 1.00 0.00 C ATOM 1129 O ASP A 76 -5.577 -0.413 -6.431 1.00 0.00 O ATOM 1130 CB ASP A 76 -8.062 0.240 -7.954 1.00 0.00 C ATOM 1131 CG ASP A 76 -9.470 0.311 -8.563 1.00 0.00 C ATOM 1132 OD1 ASP A 76 -9.867 -0.639 -9.272 1.00 0.00 O ATOM 1133 OD2 ASP A 76 -10.175 1.314 -8.366 1.00 0.00 O ATOM 0 H ASP A 76 -8.324 0.056 -5.287 1.00 0.00 H new ATOM 0 HA ASP A 76 -8.307 -1.871 -7.532 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -7.879 1.142 -7.370 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -7.325 0.226 -8.757 1.00 0.00 H new ATOM 1138 N ARG A 77 -5.916 -2.518 -7.199 1.00 0.00 N ATOM 1139 CA ARG A 77 -4.489 -2.847 -7.393 1.00 0.00 C ATOM 1140 C ARG A 77 -4.072 -2.457 -8.834 1.00 0.00 C ATOM 1141 O ARG A 77 -4.131 -3.267 -9.768 1.00 0.00 O ATOM 1142 CB ARG A 77 -4.235 -4.357 -7.084 1.00 0.00 C ATOM 1143 CG ARG A 77 -5.289 -5.327 -7.677 1.00 0.00 C ATOM 1144 CD ARG A 77 -5.024 -6.799 -7.324 1.00 0.00 C ATOM 1145 NE ARG A 77 -6.125 -7.678 -7.765 1.00 0.00 N ATOM 1146 CZ ARG A 77 -6.033 -8.663 -8.632 1.00 0.00 C ATOM 1147 NH1 ARG A 77 -4.912 -8.942 -9.233 1.00 0.00 N ATOM 1148 NH2 ARG A 77 -7.087 -9.359 -8.905 1.00 0.00 N ATOM 0 H ARG A 77 -6.545 -3.309 -7.336 1.00 0.00 H new ATOM 0 HA ARG A 77 -3.871 -2.278 -6.699 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -3.252 -4.632 -7.467 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -4.205 -4.492 -6.003 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -6.277 -5.045 -7.314 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -5.305 -5.217 -8.761 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -4.093 -7.122 -7.790 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -4.892 -6.896 -6.246 1.00 0.00 H new ATOM 0 HE ARG A 77 -7.045 -7.505 -7.359 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -4.077 -8.391 -9.036 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -4.869 -9.712 -9.901 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -7.974 -9.141 -8.450 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -7.032 -10.126 -9.575 1.00 0.00 H new ATOM 1162 N TRP A 78 -3.646 -1.187 -8.987 1.00 0.00 N ATOM 1163 CA TRP A 78 -3.345 -0.581 -10.304 1.00 0.00 C ATOM 1164 C TRP A 78 -2.706 0.810 -10.119 1.00 0.00 C ATOM 1165 O TRP A 78 -3.303 1.675 -9.478 1.00 0.00 O ATOM 1166 CB TRP A 78 -4.653 -0.452 -11.148 1.00 0.00 C ATOM 1167 CG TRP A 78 -4.462 0.139 -12.536 1.00 0.00 C ATOM 1168 CD1 TRP A 78 -4.715 1.429 -12.938 1.00 0.00 C ATOM 1169 CD2 TRP A 78 -3.970 -0.544 -13.700 1.00 0.00 C ATOM 1170 NE1 TRP A 78 -4.409 1.578 -14.266 1.00 0.00 N ATOM 1171 CE2 TRP A 78 -3.952 0.386 -14.756 1.00 0.00 C ATOM 1172 CE3 TRP A 78 -3.542 -1.853 -13.946 1.00 0.00 C ATOM 1173 CZ2 TRP A 78 -3.528 0.048 -16.039 1.00 0.00 C ATOM 1174 CZ3 TRP A 78 -3.121 -2.186 -15.216 1.00 0.00 C ATOM 1175 CH2 TRP A 78 -3.113 -1.238 -16.250 1.00 0.00 C ATOM 0 H TRP A 78 -3.500 -0.551 -8.203 1.00 0.00 H new ATOM 0 HA TRP A 78 -2.642 -1.227 -10.830 1.00 0.00 H new ATOM 0 HB2 TRP A 78 -5.103 -1.440 -11.248 1.00 0.00 H new ATOM 0 HB3 TRP A 78 -5.363 0.167 -10.600 1.00 0.00 H new ATOM 0 HD1 TRP A 78 -5.099 2.211 -12.300 1.00 0.00 H new ATOM 0 HE1 TRP A 78 -4.507 2.440 -14.803 1.00 0.00 H new ATOM 0 HE3 TRP A 78 -3.541 -2.589 -13.156 1.00 0.00 H new ATOM 0 HZ2 TRP A 78 -3.527 0.775 -16.838 1.00 0.00 H new ATOM 0 HZ3 TRP A 78 -2.792 -3.194 -15.418 1.00 0.00 H new ATOM 0 HH2 TRP A 78 -2.772 -1.530 -17.232 1.00 0.00 H new ATOM 1186 N CYS A 79 -1.474 0.992 -10.650 1.00 0.00 N ATOM 1187 CA CYS A 79 -0.773 2.313 -10.746 1.00 0.00 C ATOM 1188 C CYS A 79 -0.651 3.058 -9.383 1.00 0.00 C ATOM 1189 O CYS A 79 -0.391 4.270 -9.342 1.00 0.00 O ATOM 1190 CB CYS A 79 -1.480 3.211 -11.798 1.00 0.00 C ATOM 1191 SG CYS A 79 -0.622 4.766 -12.169 1.00 0.00 S ATOM 0 H CYS A 79 -0.925 0.222 -11.031 1.00 0.00 H new ATOM 0 HA CYS A 79 0.248 2.102 -11.062 1.00 0.00 H new ATOM 0 HB2 CYS A 79 -1.592 2.644 -12.722 1.00 0.00 H new ATOM 0 HB3 CYS A 79 -2.484 3.442 -11.442 1.00 0.00 H new ATOM 0 HG CYS A 79 0.016 5.172 -11.112 1.00 0.00 H new ATOM 1197 N LEU A 80 -0.798 2.311 -8.273 1.00 0.00 N ATOM 1198 CA LEU A 80 -0.805 2.875 -6.912 1.00 0.00 C ATOM 1199 C LEU A 80 0.621 3.341 -6.531 1.00 0.00 C ATOM 1200 O LEU A 80 1.574 2.560 -6.609 1.00 0.00 O ATOM 1201 CB LEU A 80 -1.378 1.816 -5.896 1.00 0.00 C ATOM 1202 CG LEU A 80 -1.624 2.263 -4.401 1.00 0.00 C ATOM 1203 CD1 LEU A 80 -0.346 2.198 -3.531 1.00 0.00 C ATOM 1204 CD2 LEU A 80 -2.283 3.663 -4.329 1.00 0.00 C ATOM 0 H LEU A 80 -0.915 1.298 -8.296 1.00 0.00 H new ATOM 0 HA LEU A 80 -1.456 3.748 -6.874 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -2.326 1.454 -6.294 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -0.694 0.968 -5.880 1.00 0.00 H new ATOM 0 HG LEU A 80 -2.320 1.539 -3.978 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -0.581 2.517 -2.515 1.00 0.00 H new ATOM 0 HD12 LEU A 80 0.030 1.175 -3.512 1.00 0.00 H new ATOM 0 HD13 LEU A 80 0.414 2.856 -3.952 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -2.438 3.939 -3.286 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -1.633 4.396 -4.806 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -3.243 3.640 -4.845 1.00 0.00 H new ATOM 1216 N CYS A 81 0.748 4.630 -6.155 1.00 0.00 N ATOM 1217 CA CYS A 81 2.013 5.204 -5.646 1.00 0.00 C ATOM 1218 C CYS A 81 2.433 4.493 -4.340 1.00 0.00 C ATOM 1219 O CYS A 81 1.768 4.644 -3.309 1.00 0.00 O ATOM 1220 CB CYS A 81 1.842 6.718 -5.404 1.00 0.00 C ATOM 1221 SG CYS A 81 3.315 7.544 -4.779 1.00 0.00 S ATOM 0 H CYS A 81 -0.019 5.301 -6.195 1.00 0.00 H new ATOM 0 HA CYS A 81 2.796 5.054 -6.389 1.00 0.00 H new ATOM 0 HB2 CYS A 81 1.544 7.192 -6.340 1.00 0.00 H new ATOM 0 HB3 CYS A 81 1.027 6.870 -4.696 1.00 0.00 H new ATOM 0 HG CYS A 81 3.065 8.809 -4.612 1.00 0.00 H new ATOM 1227 N ALA A 82 3.525 3.705 -4.410 1.00 0.00 N ATOM 1228 CA ALA A 82 3.970 2.798 -3.316 1.00 0.00 C ATOM 1229 C ALA A 82 4.226 3.521 -1.964 1.00 0.00 C ATOM 1230 O ALA A 82 4.103 2.911 -0.903 1.00 0.00 O ATOM 1231 CB ALA A 82 5.227 2.029 -3.757 1.00 0.00 C ATOM 0 H ALA A 82 4.131 3.675 -5.230 1.00 0.00 H new ATOM 0 HA ALA A 82 3.147 2.106 -3.133 1.00 0.00 H new ATOM 0 HB1 ALA A 82 5.549 1.367 -2.953 1.00 0.00 H new ATOM 0 HB2 ALA A 82 5.000 1.439 -4.645 1.00 0.00 H new ATOM 0 HB3 ALA A 82 6.024 2.736 -3.986 1.00 0.00 H new ATOM 1237 N SER A 83 4.568 4.820 -2.019 1.00 0.00 N ATOM 1238 CA SER A 83 4.775 5.658 -0.808 1.00 0.00 C ATOM 1239 C SER A 83 3.449 5.918 -0.039 1.00 0.00 C ATOM 1240 O SER A 83 3.463 6.095 1.179 1.00 0.00 O ATOM 1241 CB SER A 83 5.415 7.000 -1.206 1.00 0.00 C ATOM 1242 OG SER A 83 4.599 7.710 -2.122 1.00 0.00 O ATOM 0 H SER A 83 4.710 5.323 -2.895 1.00 0.00 H new ATOM 0 HA SER A 83 5.440 5.109 -0.141 1.00 0.00 H new ATOM 0 HB2 SER A 83 5.577 7.606 -0.315 1.00 0.00 H new ATOM 0 HB3 SER A 83 6.394 6.820 -1.651 1.00 0.00 H new ATOM 0 HG SER A 83 4.546 7.214 -2.966 1.00 0.00 H new ATOM 1248 N ARG A 84 2.319 5.962 -0.777 1.00 0.00 N ATOM 1249 CA ARG A 84 0.956 6.100 -0.190 1.00 0.00 C ATOM 1250 C ARG A 84 0.510 4.780 0.502 1.00 0.00 C ATOM 1251 O ARG A 84 -0.240 4.804 1.486 1.00 0.00 O ATOM 1252 CB ARG A 84 -0.061 6.528 -1.286 1.00 0.00 C ATOM 1253 CG ARG A 84 -1.478 6.867 -0.761 1.00 0.00 C ATOM 1254 CD ARG A 84 -2.428 7.377 -1.867 1.00 0.00 C ATOM 1255 NE ARG A 84 -1.944 8.628 -2.505 1.00 0.00 N ATOM 1256 CZ ARG A 84 -2.691 9.660 -2.863 1.00 0.00 C ATOM 1257 NH1 ARG A 84 -3.972 9.690 -2.633 1.00 0.00 N ATOM 1258 NH2 ARG A 84 -2.138 10.680 -3.434 1.00 0.00 N ATOM 0 H ARG A 84 2.319 5.903 -1.795 1.00 0.00 H new ATOM 0 HA ARG A 84 0.986 6.877 0.573 1.00 0.00 H new ATOM 0 HB2 ARG A 84 0.335 7.398 -1.809 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -0.143 5.725 -2.019 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -1.910 5.979 -0.300 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -1.398 7.624 0.019 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -2.540 6.605 -2.629 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -3.416 7.550 -1.441 1.00 0.00 H new ATOM 0 HE ARG A 84 -0.942 8.698 -2.684 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -4.425 8.905 -2.166 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -4.523 10.499 -2.920 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -1.133 10.685 -3.606 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -2.707 11.479 -3.713 1.00 0.00 H new ATOM 1272 N TRP A 85 0.983 3.638 -0.032 1.00 0.00 N ATOM 1273 CA TRP A 85 0.814 2.310 0.607 1.00 0.00 C ATOM 1274 C TRP A 85 1.635 2.243 1.927 1.00 0.00 C ATOM 1275 O TRP A 85 1.093 1.935 2.996 1.00 0.00 O ATOM 1276 CB TRP A 85 1.184 1.178 -0.411 1.00 0.00 C ATOM 1277 CG TRP A 85 1.662 -0.111 0.213 1.00 0.00 C ATOM 1278 CD1 TRP A 85 2.852 -0.711 -0.017 1.00 0.00 C ATOM 1279 CD2 TRP A 85 0.989 -0.930 1.187 1.00 0.00 C ATOM 1280 NE1 TRP A 85 3.002 -1.799 0.793 1.00 0.00 N ATOM 1281 CE2 TRP A 85 1.865 -1.968 1.524 1.00 0.00 C ATOM 1282 CE3 TRP A 85 -0.250 -0.874 1.812 1.00 0.00 C ATOM 1283 CZ2 TRP A 85 1.543 -2.933 2.463 1.00 0.00 C ATOM 1284 CZ3 TRP A 85 -0.573 -1.832 2.732 1.00 0.00 C ATOM 1285 CH2 TRP A 85 0.321 -2.851 3.051 1.00 0.00 C ATOM 0 H TRP A 85 1.492 3.605 -0.915 1.00 0.00 H new ATOM 0 HA TRP A 85 -0.229 2.156 0.883 1.00 0.00 H new ATOM 0 HB2 TRP A 85 0.310 0.964 -1.026 1.00 0.00 H new ATOM 0 HB3 TRP A 85 1.961 1.551 -1.079 1.00 0.00 H new ATOM 0 HD1 TRP A 85 3.581 -0.376 -0.740 1.00 0.00 H new ATOM 0 HE1 TRP A 85 3.832 -2.390 0.843 1.00 0.00 H new ATOM 0 HE3 TRP A 85 -0.948 -0.085 1.575 1.00 0.00 H new ATOM 0 HZ2 TRP A 85 2.236 -3.721 2.718 1.00 0.00 H new ATOM 0 HZ3 TRP A 85 -1.536 -1.798 3.219 1.00 0.00 H new ATOM 0 HH2 TRP A 85 0.036 -3.593 3.782 1.00 0.00 H new ATOM 1296 N GLN A 86 2.937 2.547 1.820 1.00 0.00 N ATOM 1297 CA GLN A 86 3.870 2.599 2.970 1.00 0.00 C ATOM 1298 C GLN A 86 3.395 3.589 4.069 1.00 0.00 C ATOM 1299 O GLN A 86 3.570 3.331 5.263 1.00 0.00 O ATOM 1300 CB GLN A 86 5.285 2.963 2.448 1.00 0.00 C ATOM 1301 CG GLN A 86 6.422 2.994 3.501 1.00 0.00 C ATOM 1302 CD GLN A 86 6.516 1.736 4.374 1.00 0.00 C ATOM 1303 OE1 GLN A 86 7.184 0.780 4.040 1.00 0.00 O ATOM 1304 NE2 GLN A 86 5.879 1.741 5.517 1.00 0.00 N ATOM 0 H GLN A 86 3.382 2.766 0.929 1.00 0.00 H new ATOM 0 HA GLN A 86 3.897 1.618 3.445 1.00 0.00 H new ATOM 0 HB2 GLN A 86 5.557 2.247 1.672 1.00 0.00 H new ATOM 0 HB3 GLN A 86 5.232 3.943 1.973 1.00 0.00 H new ATOM 0 HG2 GLN A 86 7.372 3.136 2.987 1.00 0.00 H new ATOM 0 HG3 GLN A 86 6.278 3.860 4.148 1.00 0.00 H new ATOM 0 HE21 GLN A 86 5.321 2.551 5.786 1.00 0.00 H new ATOM 0 HE22 GLN A 86 5.941 0.935 6.139 1.00 0.00 H new ATOM 1313 N GLU A 87 2.767 4.700 3.638 1.00 0.00 N ATOM 1314 CA GLU A 87 2.159 5.708 4.546 1.00 0.00 C ATOM 1315 C GLU A 87 1.187 5.055 5.565 1.00 0.00 C ATOM 1316 O GLU A 87 1.154 5.434 6.734 1.00 0.00 O ATOM 1317 CB GLU A 87 1.404 6.777 3.712 1.00 0.00 C ATOM 1318 CG GLU A 87 0.754 7.924 4.524 1.00 0.00 C ATOM 1319 CD GLU A 87 1.776 8.811 5.258 1.00 0.00 C ATOM 1320 OE1 GLU A 87 2.278 9.779 4.649 1.00 0.00 O ATOM 1321 OE2 GLU A 87 2.086 8.545 6.438 1.00 0.00 O ATOM 0 H GLU A 87 2.664 4.930 2.650 1.00 0.00 H new ATOM 0 HA GLU A 87 2.965 6.178 5.109 1.00 0.00 H new ATOM 0 HB2 GLU A 87 2.101 7.213 2.997 1.00 0.00 H new ATOM 0 HB3 GLU A 87 0.625 6.278 3.135 1.00 0.00 H new ATOM 0 HG2 GLU A 87 0.162 8.545 3.851 1.00 0.00 H new ATOM 0 HG3 GLU A 87 0.065 7.498 5.253 1.00 0.00 H new ATOM 1328 N ALA A 88 0.422 4.057 5.090 1.00 0.00 N ATOM 1329 CA ALA A 88 -0.569 3.335 5.906 1.00 0.00 C ATOM 1330 C ALA A 88 0.083 2.484 7.026 1.00 0.00 C ATOM 1331 O ALA A 88 -0.481 2.371 8.120 1.00 0.00 O ATOM 1332 CB ALA A 88 -1.447 2.472 5.002 1.00 0.00 C ATOM 0 H ALA A 88 0.474 3.727 4.126 1.00 0.00 H new ATOM 0 HA ALA A 88 -1.187 4.078 6.410 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -2.180 1.939 5.608 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -1.964 3.107 4.283 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -0.825 1.753 4.469 1.00 0.00 H new ATOM 1338 N PHE A 89 1.254 1.884 6.742 1.00 0.00 N ATOM 1339 CA PHE A 89 2.045 1.153 7.764 1.00 0.00 C ATOM 1340 C PHE A 89 2.597 2.133 8.818 1.00 0.00 C ATOM 1341 O PHE A 89 2.490 1.894 10.022 1.00 0.00 O ATOM 1342 CB PHE A 89 3.204 0.375 7.099 1.00 0.00 C ATOM 1343 CG PHE A 89 4.113 -0.377 8.088 1.00 0.00 C ATOM 1344 CD1 PHE A 89 3.628 -1.468 8.811 1.00 0.00 C ATOM 1345 CD2 PHE A 89 5.436 0.016 8.309 1.00 0.00 C ATOM 1346 CE1 PHE A 89 4.431 -2.141 9.711 1.00 0.00 C ATOM 1347 CE2 PHE A 89 6.237 -0.658 9.214 1.00 0.00 C ATOM 1348 CZ PHE A 89 5.735 -1.737 9.914 1.00 0.00 C ATOM 0 H PHE A 89 1.678 1.888 5.814 1.00 0.00 H new ATOM 0 HA PHE A 89 1.388 0.439 8.261 1.00 0.00 H new ATOM 0 HB2 PHE A 89 2.786 -0.341 6.391 1.00 0.00 H new ATOM 0 HB3 PHE A 89 3.812 1.074 6.524 1.00 0.00 H new ATOM 0 HD1 PHE A 89 2.608 -1.791 8.664 1.00 0.00 H new ATOM 0 HD2 PHE A 89 5.839 0.858 7.766 1.00 0.00 H new ATOM 0 HE1 PHE A 89 4.037 -2.985 10.257 1.00 0.00 H new ATOM 0 HE2 PHE A 89 7.257 -0.339 9.373 1.00 0.00 H new ATOM 0 HZ PHE A 89 6.361 -2.264 10.619 1.00 0.00 H new ATOM 1358 N GLU A 90 3.164 3.242 8.333 1.00 0.00 N ATOM 1359 CA GLU A 90 3.715 4.326 9.181 1.00 0.00 C ATOM 1360 C GLU A 90 2.602 5.052 9.986 1.00 0.00 C ATOM 1361 O GLU A 90 2.877 5.717 10.989 1.00 0.00 O ATOM 1362 CB GLU A 90 4.498 5.308 8.269 1.00 0.00 C ATOM 1363 CG GLU A 90 5.657 4.631 7.499 1.00 0.00 C ATOM 1364 CD GLU A 90 6.294 5.524 6.420 1.00 0.00 C ATOM 1365 OE1 GLU A 90 5.615 5.825 5.419 1.00 0.00 O ATOM 1366 OE2 GLU A 90 7.467 5.925 6.565 1.00 0.00 O ATOM 0 H GLU A 90 3.259 3.423 7.334 1.00 0.00 H new ATOM 0 HA GLU A 90 4.390 3.899 9.923 1.00 0.00 H new ATOM 0 HB2 GLU A 90 3.809 5.758 7.554 1.00 0.00 H new ATOM 0 HB3 GLU A 90 4.899 6.118 8.878 1.00 0.00 H new ATOM 0 HG2 GLU A 90 6.427 4.332 8.210 1.00 0.00 H new ATOM 0 HG3 GLU A 90 5.285 3.720 7.030 1.00 0.00 H new ATOM 1373 N ALA A 91 1.351 4.903 9.516 1.00 0.00 N ATOM 1374 CA ALA A 91 0.134 5.347 10.233 1.00 0.00 C ATOM 1375 C ALA A 91 -0.327 4.303 11.280 1.00 0.00 C ATOM 1376 O ALA A 91 -1.004 4.644 12.253 1.00 0.00 O ATOM 1377 CB ALA A 91 -0.988 5.603 9.215 1.00 0.00 C ATOM 0 H ALA A 91 1.150 4.466 8.617 1.00 0.00 H new ATOM 0 HA ALA A 91 0.369 6.267 10.769 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -1.886 5.930 9.738 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -0.674 6.377 8.514 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -1.201 4.684 8.669 1.00 0.00 H new ATOM 1383 N GLY A 92 0.031 3.023 11.044 1.00 0.00 N ATOM 1384 CA GLY A 92 -0.298 1.916 11.961 1.00 0.00 C ATOM 1385 C GLY A 92 -1.329 0.923 11.400 1.00 0.00 C ATOM 1386 O GLY A 92 -1.503 -0.169 11.951 1.00 0.00 O ATOM 0 H GLY A 92 0.553 2.731 10.218 1.00 0.00 H new ATOM 0 HA2 GLY A 92 0.617 1.375 12.204 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -0.680 2.332 12.893 1.00 0.00 H new ATOM 1390 N MET A 93 -2.003 1.301 10.291 1.00 0.00 N ATOM 1391 CA MET A 93 -3.112 0.512 9.689 1.00 0.00 C ATOM 1392 C MET A 93 -2.584 -0.521 8.648 1.00 0.00 C ATOM 1393 O MET A 93 -2.400 -1.696 8.975 1.00 0.00 O ATOM 1394 CB MET A 93 -4.137 1.472 9.020 1.00 0.00 C ATOM 1395 CG MET A 93 -4.587 2.645 9.896 1.00 0.00 C ATOM 1396 SD MET A 93 -5.760 3.714 9.048 1.00 0.00 S ATOM 1397 CE MET A 93 -7.164 2.619 8.811 1.00 0.00 C ATOM 0 H MET A 93 -1.797 2.162 9.784 1.00 0.00 H new ATOM 0 HA MET A 93 -3.601 -0.046 10.487 1.00 0.00 H new ATOM 0 HB2 MET A 93 -3.698 1.868 8.104 1.00 0.00 H new ATOM 0 HB3 MET A 93 -5.016 0.897 8.729 1.00 0.00 H new ATOM 0 HG2 MET A 93 -5.042 2.261 10.809 1.00 0.00 H new ATOM 0 HG3 MET A 93 -3.716 3.228 10.195 1.00 0.00 H new ATOM 0 HE1 MET A 93 -8.084 3.149 9.057 1.00 0.00 H new ATOM 0 HE2 MET A 93 -7.200 2.293 7.772 1.00 0.00 H new ATOM 0 HE3 MET A 93 -7.061 1.750 9.461 1.00 0.00 H new ATOM 1407 N ALA A 94 -2.329 -0.033 7.409 1.00 0.00 N ATOM 1408 CA ALA A 94 -1.874 -0.841 6.247 1.00 0.00 C ATOM 1409 C ALA A 94 -2.862 -1.980 5.831 1.00 0.00 C ATOM 1410 O ALA A 94 -2.900 -3.041 6.468 1.00 0.00 O ATOM 1411 CB ALA A 94 -0.451 -1.364 6.465 1.00 0.00 C ATOM 0 H ALA A 94 -2.436 0.956 7.183 1.00 0.00 H new ATOM 0 HA ALA A 94 -1.863 -0.160 5.396 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -0.143 -1.952 5.600 1.00 0.00 H new ATOM 0 HB2 ALA A 94 0.230 -0.523 6.593 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -0.426 -1.990 7.357 1.00 0.00 H new ATOM 1417 N PRO A 95 -3.701 -1.741 4.766 1.00 0.00 N ATOM 1418 CA PRO A 95 -4.572 -2.788 4.127 1.00 0.00 C ATOM 1419 C PRO A 95 -3.800 -4.042 3.590 1.00 0.00 C ATOM 1420 O PRO A 95 -2.575 -4.020 3.501 1.00 0.00 O ATOM 1421 CB PRO A 95 -5.226 -2.013 2.945 1.00 0.00 C ATOM 1422 CG PRO A 95 -5.220 -0.587 3.388 1.00 0.00 C ATOM 1423 CD PRO A 95 -3.914 -0.413 4.124 1.00 0.00 C ATOM 0 HA PRO A 95 -5.269 -3.209 4.851 1.00 0.00 H new ATOM 0 HB2 PRO A 95 -4.661 -2.145 2.022 1.00 0.00 H new ATOM 0 HB3 PRO A 95 -6.239 -2.365 2.751 1.00 0.00 H new ATOM 0 HG2 PRO A 95 -5.287 0.091 2.537 1.00 0.00 H new ATOM 0 HG3 PRO A 95 -6.070 -0.371 4.035 1.00 0.00 H new ATOM 0 HD2 PRO A 95 -3.100 -0.160 3.444 1.00 0.00 H new ATOM 0 HD3 PRO A 95 -3.972 0.386 4.863 1.00 0.00 H new ATOM 1431 N PRO A 96 -4.507 -5.170 3.247 1.00 0.00 N ATOM 1432 CA PRO A 96 -3.866 -6.333 2.563 1.00 0.00 C ATOM 1433 C PRO A 96 -3.384 -5.999 1.110 1.00 0.00 C ATOM 1434 O PRO A 96 -4.145 -5.456 0.297 1.00 0.00 O ATOM 1435 CB PRO A 96 -4.983 -7.415 2.568 1.00 0.00 C ATOM 1436 CG PRO A 96 -6.265 -6.635 2.678 1.00 0.00 C ATOM 1437 CD PRO A 96 -5.945 -5.436 3.546 1.00 0.00 C ATOM 0 HA PRO A 96 -2.955 -6.654 3.069 1.00 0.00 H new ATOM 0 HB2 PRO A 96 -4.960 -8.013 1.657 1.00 0.00 H new ATOM 0 HB3 PRO A 96 -4.865 -8.103 3.405 1.00 0.00 H new ATOM 0 HG2 PRO A 96 -6.619 -6.323 1.695 1.00 0.00 H new ATOM 0 HG3 PRO A 96 -7.054 -7.241 3.123 1.00 0.00 H new ATOM 0 HD2 PRO A 96 -6.573 -4.580 3.297 1.00 0.00 H new ATOM 0 HD3 PRO A 96 -6.103 -5.651 4.603 1.00 0.00 H new ATOM 1445 N VAL A 97 -2.108 -6.325 0.806 1.00 0.00 N ATOM 1446 CA VAL A 97 -1.485 -6.084 -0.517 1.00 0.00 C ATOM 1447 C VAL A 97 -1.088 -7.423 -1.201 1.00 0.00 C ATOM 1448 O VAL A 97 -0.799 -8.431 -0.539 1.00 0.00 O ATOM 1449 CB VAL A 97 -0.246 -5.107 -0.382 1.00 0.00 C ATOM 1450 CG1 VAL A 97 0.831 -5.675 0.560 1.00 0.00 C ATOM 1451 CG2 VAL A 97 0.373 -4.725 -1.754 1.00 0.00 C ATOM 0 H VAL A 97 -1.477 -6.766 1.475 1.00 0.00 H new ATOM 0 HA VAL A 97 -2.221 -5.599 -1.158 1.00 0.00 H new ATOM 0 HB VAL A 97 -0.637 -4.191 0.060 1.00 0.00 H new ATOM 0 HG11 VAL A 97 1.664 -4.975 0.625 1.00 0.00 H new ATOM 0 HG12 VAL A 97 0.405 -5.825 1.552 1.00 0.00 H new ATOM 0 HG13 VAL A 97 1.189 -6.628 0.171 1.00 0.00 H new ATOM 0 HG21 VAL A 97 1.218 -4.054 -1.598 1.00 0.00 H new ATOM 0 HG22 VAL A 97 0.715 -5.626 -2.263 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -0.378 -4.226 -2.366 1.00 0.00 H new ATOM 1461 N VAL A 98 -1.088 -7.410 -2.541 1.00 0.00 N ATOM 1462 CA VAL A 98 -0.912 -8.611 -3.385 1.00 0.00 C ATOM 1463 C VAL A 98 0.581 -8.934 -3.704 1.00 0.00 C ATOM 1464 O VAL A 98 1.145 -8.392 -4.641 1.00 0.00 O ATOM 1465 CB VAL A 98 -1.740 -8.446 -4.731 1.00 0.00 C ATOM 1466 CG1 VAL A 98 -3.249 -8.593 -4.473 1.00 0.00 C ATOM 1467 CG2 VAL A 98 -1.460 -7.082 -5.429 1.00 0.00 C ATOM 0 H VAL A 98 -1.212 -6.554 -3.082 1.00 0.00 H new ATOM 0 HA VAL A 98 -1.290 -9.457 -2.811 1.00 0.00 H new ATOM 0 HB VAL A 98 -1.410 -9.242 -5.398 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -3.792 -8.476 -5.411 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -3.453 -9.580 -4.057 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -3.574 -7.828 -3.768 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -2.048 -7.014 -6.344 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -1.736 -6.267 -4.760 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -0.400 -7.009 -5.672 1.00 0.00 H new ATOM 1477 N LEU A 99 1.212 -9.864 -2.951 1.00 0.00 N ATOM 1478 CA LEU A 99 2.593 -10.353 -3.285 1.00 0.00 C ATOM 1479 C LEU A 99 2.662 -11.012 -4.695 1.00 0.00 C ATOM 1480 O LEU A 99 3.732 -11.077 -5.307 1.00 0.00 O ATOM 1481 CB LEU A 99 3.133 -11.361 -2.215 1.00 0.00 C ATOM 1482 CG LEU A 99 3.682 -10.755 -0.884 1.00 0.00 C ATOM 1483 CD1 LEU A 99 4.221 -11.866 0.048 1.00 0.00 C ATOM 1484 CD2 LEU A 99 4.766 -9.683 -1.151 1.00 0.00 C ATOM 0 H LEU A 99 0.805 -10.292 -2.119 1.00 0.00 H new ATOM 0 HA LEU A 99 3.227 -9.466 -3.286 1.00 0.00 H new ATOM 0 HB2 LEU A 99 2.329 -12.054 -1.966 1.00 0.00 H new ATOM 0 HB3 LEU A 99 3.929 -11.948 -2.674 1.00 0.00 H new ATOM 0 HG LEU A 99 2.850 -10.262 -0.381 1.00 0.00 H new ATOM 0 HD11 LEU A 99 4.598 -11.418 0.968 1.00 0.00 H new ATOM 0 HD12 LEU A 99 3.417 -12.563 0.286 1.00 0.00 H new ATOM 0 HD13 LEU A 99 5.028 -12.401 -0.452 1.00 0.00 H new ATOM 0 HD21 LEU A 99 5.124 -9.284 -0.202 1.00 0.00 H new ATOM 0 HD22 LEU A 99 5.598 -10.134 -1.693 1.00 0.00 H new ATOM 0 HD23 LEU A 99 4.340 -8.875 -1.747 1.00 0.00 H new ATOM 1496 N GLN A 100 1.509 -11.509 -5.176 1.00 0.00 N ATOM 1497 CA GLN A 100 1.366 -12.135 -6.512 1.00 0.00 C ATOM 1498 C GLN A 100 1.542 -11.116 -7.676 1.00 0.00 C ATOM 1499 O GLN A 100 2.044 -11.482 -8.741 1.00 0.00 O ATOM 1500 CB GLN A 100 -0.027 -12.828 -6.608 1.00 0.00 C ATOM 1501 CG GLN A 100 -1.227 -11.882 -6.375 1.00 0.00 C ATOM 1502 CD GLN A 100 -2.582 -12.589 -6.408 1.00 0.00 C ATOM 1503 OE1 GLN A 100 -3.083 -13.047 -5.388 1.00 0.00 O ATOM 1504 NE2 GLN A 100 -3.181 -12.692 -7.575 1.00 0.00 N ATOM 0 H GLN A 100 0.638 -11.489 -4.646 1.00 0.00 H new ATOM 0 HA GLN A 100 2.163 -12.871 -6.619 1.00 0.00 H new ATOM 0 HB2 GLN A 100 -0.125 -13.284 -7.593 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -0.069 -13.635 -5.877 1.00 0.00 H new ATOM 0 HG2 GLN A 100 -1.108 -11.389 -5.410 1.00 0.00 H new ATOM 0 HG3 GLN A 100 -1.216 -11.101 -7.135 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -2.743 -12.302 -8.409 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -4.084 -13.162 -7.645 1.00 0.00 H new ATOM 1513 N SER A 101 1.138 -9.842 -7.467 1.00 0.00 N ATOM 1514 CA SER A 101 1.150 -8.805 -8.544 1.00 0.00 C ATOM 1515 C SER A 101 2.139 -7.660 -8.238 1.00 0.00 C ATOM 1516 O SER A 101 2.868 -7.235 -9.134 1.00 0.00 O ATOM 1517 CB SER A 101 -0.264 -8.227 -8.769 1.00 0.00 C ATOM 1518 OG SER A 101 -0.289 -7.248 -9.812 1.00 0.00 O ATOM 0 H SER A 101 0.799 -9.500 -6.568 1.00 0.00 H new ATOM 0 HA SER A 101 1.484 -9.303 -9.455 1.00 0.00 H new ATOM 0 HB2 SER A 101 -0.950 -9.037 -9.017 1.00 0.00 H new ATOM 0 HB3 SER A 101 -0.622 -7.778 -7.843 1.00 0.00 H new ATOM 0 HG SER A 101 -1.202 -6.910 -9.922 1.00 0.00 H new ATOM 1524 N THR A 102 2.123 -7.145 -6.984 1.00 0.00 N ATOM 1525 CA THR A 102 3.054 -6.063 -6.519 1.00 0.00 C ATOM 1526 C THR A 102 4.535 -6.356 -6.890 1.00 0.00 C ATOM 1527 O THR A 102 5.141 -7.295 -6.365 1.00 0.00 O ATOM 1528 CB THR A 102 2.948 -5.835 -4.970 1.00 0.00 C ATOM 1529 OG1 THR A 102 1.575 -5.655 -4.598 1.00 0.00 O ATOM 1530 CG2 THR A 102 3.737 -4.602 -4.512 1.00 0.00 C ATOM 0 H THR A 102 1.473 -7.459 -6.264 1.00 0.00 H new ATOM 0 HA THR A 102 2.740 -5.158 -7.039 1.00 0.00 H new ATOM 0 HB THR A 102 3.370 -6.717 -4.488 1.00 0.00 H new ATOM 0 HG1 THR A 102 1.134 -5.069 -5.248 1.00 0.00 H new ATOM 0 HG21 THR A 102 3.634 -4.484 -3.433 1.00 0.00 H new ATOM 0 HG22 THR A 102 4.790 -4.729 -4.764 1.00 0.00 H new ATOM 0 HG23 THR A 102 3.349 -3.715 -5.012 1.00 0.00 H new ATOM 1538 N GLU A 103 5.091 -5.534 -7.796 1.00 0.00 N ATOM 1539 CA GLU A 103 6.398 -5.791 -8.444 1.00 0.00 C ATOM 1540 C GLU A 103 7.607 -5.330 -7.587 1.00 0.00 C ATOM 1541 O GLU A 103 7.450 -4.700 -6.536 1.00 0.00 O ATOM 1542 CB GLU A 103 6.441 -5.105 -9.844 1.00 0.00 C ATOM 1543 CG GLU A 103 5.312 -5.525 -10.835 1.00 0.00 C ATOM 1544 CD GLU A 103 4.103 -4.554 -10.881 1.00 0.00 C ATOM 1545 OE1 GLU A 103 3.514 -4.262 -9.822 1.00 0.00 O ATOM 1546 OE2 GLU A 103 3.753 -4.062 -11.982 1.00 0.00 O ATOM 0 H GLU A 103 4.649 -4.668 -8.104 1.00 0.00 H new ATOM 0 HA GLU A 103 6.488 -6.872 -8.553 1.00 0.00 H new ATOM 0 HB2 GLU A 103 6.392 -4.025 -9.701 1.00 0.00 H new ATOM 0 HB3 GLU A 103 7.404 -5.322 -10.306 1.00 0.00 H new ATOM 0 HG2 GLU A 103 5.736 -5.605 -11.836 1.00 0.00 H new ATOM 0 HG3 GLU A 103 4.955 -6.517 -10.560 1.00 0.00 H new ATOM 1553 N LYS A 104 8.827 -5.631 -8.093 1.00 0.00 N ATOM 1554 CA LYS A 104 10.109 -5.376 -7.383 1.00 0.00 C ATOM 1555 C LYS A 104 10.428 -3.877 -7.226 1.00 0.00 C ATOM 1556 O LYS A 104 11.227 -3.496 -6.360 1.00 0.00 O ATOM 1557 CB LYS A 104 11.279 -6.089 -8.113 1.00 0.00 C ATOM 1558 CG LYS A 104 11.086 -7.611 -8.302 1.00 0.00 C ATOM 1559 CD LYS A 104 10.811 -8.339 -6.975 1.00 0.00 C ATOM 1560 CE LYS A 104 11.997 -8.263 -6.003 1.00 0.00 C ATOM 1561 NZ LYS A 104 13.242 -8.835 -6.583 1.00 0.00 N ATOM 0 H LYS A 104 8.953 -6.060 -9.010 1.00 0.00 H new ATOM 0 HA LYS A 104 9.992 -5.783 -6.379 1.00 0.00 H new ATOM 0 HB2 LYS A 104 11.414 -5.629 -9.092 1.00 0.00 H new ATOM 0 HB3 LYS A 104 12.198 -5.919 -7.552 1.00 0.00 H new ATOM 0 HG2 LYS A 104 10.257 -7.787 -8.988 1.00 0.00 H new ATOM 0 HG3 LYS A 104 11.978 -8.032 -8.766 1.00 0.00 H new ATOM 0 HD2 LYS A 104 9.930 -7.904 -6.502 1.00 0.00 H new ATOM 0 HD3 LYS A 104 10.580 -9.384 -7.179 1.00 0.00 H new ATOM 0 HE2 LYS A 104 12.172 -7.223 -5.728 1.00 0.00 H new ATOM 0 HE3 LYS A 104 11.747 -8.798 -5.086 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 13.965 -8.917 -5.840 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 13.041 -9.777 -6.976 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 13.591 -8.212 -7.339 1.00 0.00 H new ATOM 1575 N SER A 105 9.815 -3.040 -8.071 1.00 0.00 N ATOM 1576 CA SER A 105 9.975 -1.571 -7.972 1.00 0.00 C ATOM 1577 C SER A 105 9.303 -1.006 -6.698 1.00 0.00 C ATOM 1578 O SER A 105 9.772 -0.016 -6.156 1.00 0.00 O ATOM 1579 CB SER A 105 9.435 -0.858 -9.225 1.00 0.00 C ATOM 1580 OG SER A 105 9.684 0.544 -9.179 1.00 0.00 O ATOM 0 H SER A 105 9.205 -3.345 -8.830 1.00 0.00 H new ATOM 0 HA SER A 105 11.045 -1.375 -7.903 1.00 0.00 H new ATOM 0 HB2 SER A 105 9.901 -1.282 -10.115 1.00 0.00 H new ATOM 0 HB3 SER A 105 8.363 -1.035 -9.311 1.00 0.00 H new ATOM 0 HG SER A 105 9.330 0.966 -9.990 1.00 0.00 H new ATOM 1586 N ALA A 106 8.226 -1.658 -6.216 1.00 0.00 N ATOM 1587 CA ALA A 106 7.534 -1.264 -4.957 1.00 0.00 C ATOM 1588 C ALA A 106 8.464 -1.353 -3.716 1.00 0.00 C ATOM 1589 O ALA A 106 8.330 -0.573 -2.767 1.00 0.00 O ATOM 1590 CB ALA A 106 6.289 -2.127 -4.753 1.00 0.00 C ATOM 0 H ALA A 106 7.809 -2.466 -6.678 1.00 0.00 H new ATOM 0 HA ALA A 106 7.241 -0.219 -5.060 1.00 0.00 H new ATOM 0 HB1 ALA A 106 5.789 -1.832 -3.830 1.00 0.00 H new ATOM 0 HB2 ALA A 106 5.609 -1.989 -5.594 1.00 0.00 H new ATOM 0 HB3 ALA A 106 6.580 -3.176 -4.689 1.00 0.00 H new ATOM 1596 N LEU A 107 9.419 -2.303 -3.759 1.00 0.00 N ATOM 1597 CA LEU A 107 10.452 -2.494 -2.704 1.00 0.00 C ATOM 1598 C LEU A 107 11.355 -1.243 -2.544 1.00 0.00 C ATOM 1599 O LEU A 107 11.868 -0.969 -1.461 1.00 0.00 O ATOM 1600 CB LEU A 107 11.339 -3.735 -3.024 1.00 0.00 C ATOM 1601 CG LEU A 107 10.705 -5.150 -2.814 1.00 0.00 C ATOM 1602 CD1 LEU A 107 9.489 -5.418 -3.724 1.00 0.00 C ATOM 1603 CD2 LEU A 107 11.772 -6.252 -2.980 1.00 0.00 C ATOM 0 H LEU A 107 9.502 -2.967 -4.529 1.00 0.00 H new ATOM 0 HA LEU A 107 9.922 -2.654 -1.765 1.00 0.00 H new ATOM 0 HB2 LEU A 107 11.659 -3.661 -4.063 1.00 0.00 H new ATOM 0 HB3 LEU A 107 12.237 -3.674 -2.409 1.00 0.00 H new ATOM 0 HG LEU A 107 10.326 -5.170 -1.792 1.00 0.00 H new ATOM 0 HD11 LEU A 107 9.099 -6.416 -3.526 1.00 0.00 H new ATOM 0 HD12 LEU A 107 8.714 -4.679 -3.522 1.00 0.00 H new ATOM 0 HD13 LEU A 107 9.794 -5.348 -4.768 1.00 0.00 H new ATOM 0 HD21 LEU A 107 11.312 -7.229 -2.830 1.00 0.00 H new ATOM 0 HD22 LEU A 107 12.196 -6.200 -3.983 1.00 0.00 H new ATOM 0 HD23 LEU A 107 12.563 -6.107 -2.244 1.00 0.00 H new ATOM 1615 N ARG A 108 11.509 -0.484 -3.637 1.00 0.00 N ATOM 1616 CA ARG A 108 12.375 0.721 -3.693 1.00 0.00 C ATOM 1617 C ARG A 108 11.754 1.938 -2.954 1.00 0.00 C ATOM 1618 O ARG A 108 12.395 2.988 -2.816 1.00 0.00 O ATOM 1619 CB ARG A 108 12.650 1.057 -5.183 1.00 0.00 C ATOM 1620 CG ARG A 108 13.223 -0.133 -5.995 1.00 0.00 C ATOM 1621 CD ARG A 108 13.554 0.240 -7.448 1.00 0.00 C ATOM 1622 NE ARG A 108 14.716 1.141 -7.530 1.00 0.00 N ATOM 1623 CZ ARG A 108 15.023 1.898 -8.559 1.00 0.00 C ATOM 1624 NH1 ARG A 108 14.208 2.040 -9.562 1.00 0.00 N ATOM 1625 NH2 ARG A 108 16.144 2.539 -8.559 1.00 0.00 N ATOM 0 H ARG A 108 11.036 -0.683 -4.519 1.00 0.00 H new ATOM 0 HA ARG A 108 13.309 0.502 -3.175 1.00 0.00 H new ATOM 0 HB2 ARG A 108 11.722 1.390 -5.648 1.00 0.00 H new ATOM 0 HB3 ARG A 108 13.350 1.891 -5.235 1.00 0.00 H new ATOM 0 HG2 ARG A 108 14.125 -0.500 -5.505 1.00 0.00 H new ATOM 0 HG3 ARG A 108 12.502 -0.951 -5.990 1.00 0.00 H new ATOM 0 HD2 ARG A 108 13.756 -0.666 -8.019 1.00 0.00 H new ATOM 0 HD3 ARG A 108 12.689 0.720 -7.906 1.00 0.00 H new ATOM 0 HE ARG A 108 15.334 1.181 -6.720 1.00 0.00 H new ATOM 0 HH11 ARG A 108 13.309 1.558 -9.561 1.00 0.00 H new ATOM 0 HH12 ARG A 108 14.468 2.633 -10.350 1.00 0.00 H new ATOM 0 HH21 ARG A 108 16.780 2.454 -7.766 1.00 0.00 H new ATOM 0 HH22 ARG A 108 16.394 3.130 -9.352 1.00 0.00 H new ATOM 1639 N TYR A 109 10.503 1.780 -2.485 1.00 0.00 N ATOM 1640 CA TYR A 109 9.753 2.827 -1.761 1.00 0.00 C ATOM 1641 C TYR A 109 9.351 2.335 -0.346 1.00 0.00 C ATOM 1642 O TYR A 109 9.516 3.058 0.645 1.00 0.00 O ATOM 1643 CB TYR A 109 8.482 3.216 -2.568 1.00 0.00 C ATOM 1644 CG TYR A 109 8.749 3.625 -4.034 1.00 0.00 C ATOM 1645 CD1 TYR A 109 8.867 2.657 -5.031 1.00 0.00 C ATOM 1646 CD2 TYR A 109 8.876 4.962 -4.416 1.00 0.00 C ATOM 1647 CE1 TYR A 109 9.101 3.000 -6.347 1.00 0.00 C ATOM 1648 CE2 TYR A 109 9.112 5.310 -5.737 1.00 0.00 C ATOM 1649 CZ TYR A 109 9.222 4.322 -6.698 1.00 0.00 C ATOM 1650 OH TYR A 109 9.449 4.657 -8.014 1.00 0.00 O ATOM 0 H TYR A 109 9.977 0.913 -2.598 1.00 0.00 H new ATOM 0 HA TYR A 109 10.394 3.702 -1.652 1.00 0.00 H new ATOM 0 HB2 TYR A 109 7.791 2.373 -2.560 1.00 0.00 H new ATOM 0 HB3 TYR A 109 7.984 4.041 -2.060 1.00 0.00 H new ATOM 0 HD1 TYR A 109 8.773 1.614 -4.767 1.00 0.00 H new ATOM 0 HD2 TYR A 109 8.789 5.738 -3.670 1.00 0.00 H new ATOM 0 HE1 TYR A 109 9.189 2.230 -7.099 1.00 0.00 H new ATOM 0 HE2 TYR A 109 9.210 6.349 -6.015 1.00 0.00 H new ATOM 0 HH TYR A 109 9.509 5.632 -8.098 1.00 0.00 H new ATOM 1660 N VAL A 110 8.826 1.085 -0.264 1.00 0.00 N ATOM 1661 CA VAL A 110 8.247 0.528 0.997 1.00 0.00 C ATOM 1662 C VAL A 110 9.203 -0.476 1.675 1.00 0.00 C ATOM 1663 O VAL A 110 9.271 -0.540 2.910 1.00 0.00 O ATOM 1664 CB VAL A 110 6.817 -0.155 0.758 1.00 0.00 C ATOM 1665 CG1 VAL A 110 6.146 0.389 -0.483 1.00 0.00 C ATOM 1666 CG2 VAL A 110 6.814 -1.693 0.673 1.00 0.00 C ATOM 0 H VAL A 110 8.790 0.440 -1.054 1.00 0.00 H new ATOM 0 HA VAL A 110 8.109 1.378 1.665 1.00 0.00 H new ATOM 0 HB VAL A 110 6.263 0.109 1.659 1.00 0.00 H new ATOM 0 HG11 VAL A 110 5.179 -0.095 -0.616 1.00 0.00 H new ATOM 0 HG12 VAL A 110 6.002 1.464 -0.377 1.00 0.00 H new ATOM 0 HG13 VAL A 110 6.773 0.191 -1.352 1.00 0.00 H new ATOM 0 HG21 VAL A 110 5.796 -2.046 0.510 1.00 0.00 H new ATOM 0 HG22 VAL A 110 7.446 -2.013 -0.155 1.00 0.00 H new ATOM 0 HG23 VAL A 110 7.198 -2.110 1.604 1.00 0.00 H new ATOM 1676 N SER A 111 9.924 -1.233 0.817 1.00 0.00 N ATOM 1677 CA SER A 111 10.689 -2.450 1.174 1.00 0.00 C ATOM 1678 C SER A 111 9.751 -3.651 1.356 1.00 0.00 C ATOM 1679 O SER A 111 8.741 -3.549 2.049 1.00 0.00 O ATOM 1680 CB SER A 111 11.560 -2.281 2.429 1.00 0.00 C ATOM 1681 OG SER A 111 12.309 -3.453 2.723 1.00 0.00 O ATOM 0 H SER A 111 9.992 -1.006 -0.175 1.00 0.00 H new ATOM 0 HA SER A 111 11.365 -2.630 0.338 1.00 0.00 H new ATOM 0 HB2 SER A 111 12.241 -1.442 2.286 1.00 0.00 H new ATOM 0 HB3 SER A 111 10.925 -2.034 3.280 1.00 0.00 H new ATOM 0 HG SER A 111 12.850 -3.303 3.526 1.00 0.00 H new ATOM 1687 N LEU A 112 10.138 -4.797 0.776 1.00 0.00 N ATOM 1688 CA LEU A 112 9.349 -6.064 0.786 1.00 0.00 C ATOM 1689 C LEU A 112 8.750 -6.420 2.176 1.00 0.00 C ATOM 1690 O LEU A 112 7.692 -7.038 2.252 1.00 0.00 O ATOM 1691 CB LEU A 112 10.255 -7.206 0.207 1.00 0.00 C ATOM 1692 CG LEU A 112 9.876 -8.702 0.495 1.00 0.00 C ATOM 1693 CD1 LEU A 112 10.256 -9.635 -0.674 1.00 0.00 C ATOM 1694 CD2 LEU A 112 10.522 -9.201 1.815 1.00 0.00 C ATOM 0 H LEU A 112 11.022 -4.883 0.275 1.00 0.00 H new ATOM 0 HA LEU A 112 8.470 -5.932 0.155 1.00 0.00 H new ATOM 0 HB2 LEU A 112 10.292 -7.079 -0.875 1.00 0.00 H new ATOM 0 HB3 LEU A 112 11.266 -7.045 0.582 1.00 0.00 H new ATOM 0 HG LEU A 112 8.792 -8.734 0.603 1.00 0.00 H new ATOM 0 HD11 LEU A 112 9.975 -10.659 -0.429 1.00 0.00 H new ATOM 0 HD12 LEU A 112 9.731 -9.321 -1.576 1.00 0.00 H new ATOM 0 HD13 LEU A 112 11.331 -9.585 -0.844 1.00 0.00 H new ATOM 0 HD21 LEU A 112 10.241 -10.240 1.987 1.00 0.00 H new ATOM 0 HD22 LEU A 112 11.607 -9.126 1.740 1.00 0.00 H new ATOM 0 HD23 LEU A 112 10.172 -8.588 2.646 1.00 0.00 H new ATOM 1706 N ALA A 113 9.415 -5.976 3.258 1.00 0.00 N ATOM 1707 CA ALA A 113 8.983 -6.238 4.651 1.00 0.00 C ATOM 1708 C ALA A 113 7.537 -5.744 4.942 1.00 0.00 C ATOM 1709 O ALA A 113 6.804 -6.415 5.670 1.00 0.00 O ATOM 1710 CB ALA A 113 9.979 -5.601 5.627 1.00 0.00 C ATOM 0 H ALA A 113 10.270 -5.423 3.195 1.00 0.00 H new ATOM 0 HA ALA A 113 8.969 -7.319 4.789 1.00 0.00 H new ATOM 0 HB1 ALA A 113 9.660 -5.795 6.651 1.00 0.00 H new ATOM 0 HB2 ALA A 113 10.969 -6.030 5.468 1.00 0.00 H new ATOM 0 HB3 ALA A 113 10.018 -4.525 5.457 1.00 0.00 H new ATOM 1716 N ASP A 114 7.132 -4.582 4.364 1.00 0.00 N ATOM 1717 CA ASP A 114 5.750 -4.057 4.528 1.00 0.00 C ATOM 1718 C ASP A 114 4.737 -4.901 3.704 1.00 0.00 C ATOM 1719 O ASP A 114 3.630 -5.213 4.179 1.00 0.00 O ATOM 1720 CB ASP A 114 5.692 -2.558 4.119 1.00 0.00 C ATOM 1721 CG ASP A 114 4.346 -1.857 4.394 1.00 0.00 C ATOM 1722 OD1 ASP A 114 3.552 -2.347 5.239 1.00 0.00 O ATOM 1723 OD2 ASP A 114 4.092 -0.796 3.786 1.00 0.00 O ATOM 0 H ASP A 114 7.736 -3.997 3.787 1.00 0.00 H new ATOM 0 HA ASP A 114 5.471 -4.136 5.579 1.00 0.00 H new ATOM 0 HB2 ASP A 114 6.478 -2.022 4.650 1.00 0.00 H new ATOM 0 HB3 ASP A 114 5.915 -2.479 3.055 1.00 0.00 H new ATOM 1728 N LEU A 115 5.146 -5.274 2.476 1.00 0.00 N ATOM 1729 CA LEU A 115 4.344 -6.126 1.569 1.00 0.00 C ATOM 1730 C LEU A 115 3.992 -7.488 2.222 1.00 0.00 C ATOM 1731 O LEU A 115 2.851 -7.941 2.167 1.00 0.00 O ATOM 1732 CB LEU A 115 5.127 -6.362 0.253 1.00 0.00 C ATOM 1733 CG LEU A 115 5.607 -5.086 -0.502 1.00 0.00 C ATOM 1734 CD1 LEU A 115 6.385 -5.439 -1.776 1.00 0.00 C ATOM 1735 CD2 LEU A 115 4.434 -4.161 -0.831 1.00 0.00 C ATOM 0 H LEU A 115 6.044 -4.994 2.082 1.00 0.00 H new ATOM 0 HA LEU A 115 3.409 -5.607 1.359 1.00 0.00 H new ATOM 0 HB2 LEU A 115 6.000 -6.975 0.479 1.00 0.00 H new ATOM 0 HB3 LEU A 115 4.497 -6.942 -0.421 1.00 0.00 H new ATOM 0 HG LEU A 115 6.284 -4.556 0.168 1.00 0.00 H new ATOM 0 HD11 LEU A 115 6.703 -4.523 -2.274 1.00 0.00 H new ATOM 0 HD12 LEU A 115 7.261 -6.032 -1.515 1.00 0.00 H new ATOM 0 HD13 LEU A 115 5.745 -6.013 -2.446 1.00 0.00 H new ATOM 0 HD21 LEU A 115 4.802 -3.280 -1.357 1.00 0.00 H new ATOM 0 HD22 LEU A 115 3.720 -4.689 -1.463 1.00 0.00 H new ATOM 0 HD23 LEU A 115 3.943 -3.853 0.092 1.00 0.00 H new ATOM 1747 N GLN A 116 5.007 -8.118 2.829 1.00 0.00 N ATOM 1748 CA GLN A 116 4.883 -9.445 3.471 1.00 0.00 C ATOM 1749 C GLN A 116 4.167 -9.374 4.831 1.00 0.00 C ATOM 1750 O GLN A 116 3.443 -10.306 5.206 1.00 0.00 O ATOM 1751 CB GLN A 116 6.282 -10.073 3.608 1.00 0.00 C ATOM 1752 CG GLN A 116 7.034 -10.159 2.255 1.00 0.00 C ATOM 1753 CD GLN A 116 7.782 -11.476 2.021 1.00 0.00 C ATOM 1754 OE1 GLN A 116 8.282 -12.095 2.953 1.00 0.00 O ATOM 1755 NE2 GLN A 116 7.873 -11.910 0.775 1.00 0.00 N ATOM 0 H GLN A 116 5.945 -7.723 2.892 1.00 0.00 H new ATOM 0 HA GLN A 116 4.262 -10.076 2.836 1.00 0.00 H new ATOM 0 HB2 GLN A 116 6.873 -9.485 4.311 1.00 0.00 H new ATOM 0 HB3 GLN A 116 6.187 -11.073 4.031 1.00 0.00 H new ATOM 0 HG2 GLN A 116 6.317 -10.015 1.447 1.00 0.00 H new ATOM 0 HG3 GLN A 116 7.747 -9.337 2.198 1.00 0.00 H new ATOM 0 HE21 GLN A 116 7.448 -11.376 0.017 1.00 0.00 H new ATOM 0 HE22 GLN A 116 8.368 -12.778 0.572 1.00 0.00 H new ATOM 1764 N ALA A 117 4.390 -8.267 5.559 1.00 0.00 N ATOM 1765 CA ALA A 117 3.668 -7.966 6.827 1.00 0.00 C ATOM 1766 C ALA A 117 2.127 -7.914 6.634 1.00 0.00 C ATOM 1767 O ALA A 117 1.364 -8.178 7.568 1.00 0.00 O ATOM 1768 CB ALA A 117 4.173 -6.636 7.418 1.00 0.00 C ATOM 0 H ALA A 117 5.070 -7.554 5.295 1.00 0.00 H new ATOM 0 HA ALA A 117 3.878 -8.780 7.520 1.00 0.00 H new ATOM 0 HB1 ALA A 117 3.640 -6.424 8.345 1.00 0.00 H new ATOM 0 HB2 ALA A 117 5.241 -6.711 7.623 1.00 0.00 H new ATOM 0 HB3 ALA A 117 3.996 -5.831 6.705 1.00 0.00 H new ATOM 1774 N HIS A 118 1.681 -7.556 5.408 1.00 0.00 N ATOM 1775 CA HIS A 118 0.240 -7.402 5.063 1.00 0.00 C ATOM 1776 C HIS A 118 -0.149 -8.238 3.827 1.00 0.00 C ATOM 1777 O HIS A 118 -1.103 -7.918 3.115 1.00 0.00 O ATOM 1778 CB HIS A 118 -0.063 -5.904 4.847 1.00 0.00 C ATOM 1779 CG HIS A 118 0.287 -5.089 6.053 1.00 0.00 C ATOM 1780 ND1 HIS A 118 1.491 -4.434 6.188 1.00 0.00 N ATOM 1781 CD2 HIS A 118 -0.355 -4.934 7.231 1.00 0.00 C ATOM 1782 CE1 HIS A 118 1.580 -3.936 7.398 1.00 0.00 C ATOM 1783 NE2 HIS A 118 0.472 -4.217 8.051 1.00 0.00 N ATOM 0 H HIS A 118 2.307 -7.364 4.626 1.00 0.00 H new ATOM 0 HA HIS A 118 -0.363 -7.780 5.888 1.00 0.00 H new ATOM 0 HB2 HIS A 118 0.498 -5.540 3.986 1.00 0.00 H new ATOM 0 HB3 HIS A 118 -1.120 -5.776 4.616 1.00 0.00 H new ATOM 0 HD1 HIS A 118 2.202 -4.350 5.461 1.00 0.00 H new ATOM 0 HD2 HIS A 118 -1.338 -5.307 7.479 1.00 0.00 H new ATOM 0 HE1 HIS A 118 2.422 -3.387 7.793 1.00 0.00 H new ATOM 1792 N ALA A 119 0.592 -9.326 3.597 1.00 0.00 N ATOM 1793 CA ALA A 119 0.255 -10.321 2.563 1.00 0.00 C ATOM 1794 C ALA A 119 -0.925 -11.220 3.018 1.00 0.00 C ATOM 1795 O ALA A 119 -1.189 -11.351 4.219 1.00 0.00 O ATOM 1796 CB ALA A 119 1.485 -11.181 2.252 1.00 0.00 C ATOM 0 H ALA A 119 1.441 -9.546 4.118 1.00 0.00 H new ATOM 0 HA ALA A 119 -0.053 -9.791 1.662 1.00 0.00 H new ATOM 0 HB1 ALA A 119 1.232 -11.915 1.487 1.00 0.00 H new ATOM 0 HB2 ALA A 119 2.292 -10.544 1.890 1.00 0.00 H new ATOM 0 HB3 ALA A 119 1.807 -11.696 3.157 1.00 0.00 H new