USER MOD reduce.3.24.130724 H: found=0, std=0, add=444, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 446 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 40 THR OG1 : rot -59:sc= 0.224 USER MOD Single : A 42 CYS SG : rot 70:sc= 0.128 USER MOD Single : A 45 MET CE :methyl -118:sc= -1.9 (180deg=-5.59!) USER MOD Single : A 46 THR OG1 : rot 180:sc= -0.114 USER MOD Single : A 53 SER OG : rot 65:sc= 0.373 USER MOD Single : A 79 CYS SG : rot -43:sc= -0.116 USER MOD Single : A 81 CYS SG : rot 11:sc= -1.51! USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 86 GLN :FLIP amide:sc= -0.207 F(o=-1.3!,f=-0.21) USER MOD Single : A 93 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 100 GLN : amide:sc= -0.237 X(o=-0.24,f=0) USER MOD Single : A 101 SER OG : rot 68:sc= 0.197 USER MOD Single : A 102 THR OG1 : rot 80:sc= 1.24 USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 SER OG : rot 180:sc= 0 USER MOD Single : A 109 TYR OH : rot 180:sc= 0 USER MOD Single : A 111 SER OG : rot 180:sc=-0.00155 USER MOD Single : A 116 GLN : amide:sc= -0.596 K(o=-0.6,f=-1.1) USER MOD Single : A 118 HIS : no HD1:sc=-0.00214 K(o=-0.0021,f=-0.84) USER MOD ----------------------------------------------------------------- ATOM 567 N THR A 40 5.941 1.838 -11.515 1.00 0.00 N ATOM 568 CA THR A 40 4.901 0.811 -11.771 1.00 0.00 C ATOM 569 C THR A 40 4.646 -0.041 -10.498 1.00 0.00 C ATOM 570 O THR A 40 5.452 -0.893 -10.136 1.00 0.00 O ATOM 571 CB THR A 40 5.305 -0.097 -13.003 1.00 0.00 C ATOM 572 OG1 THR A 40 4.356 -1.154 -13.193 1.00 0.00 O ATOM 573 CG2 THR A 40 6.725 -0.690 -12.891 1.00 0.00 C ATOM 0 HA THR A 40 3.969 1.317 -12.023 1.00 0.00 H new ATOM 0 HB THR A 40 5.301 0.564 -13.869 1.00 0.00 H new ATOM 0 HG1 THR A 40 4.315 -1.706 -12.385 1.00 0.00 H new ATOM 0 HG21 THR A 40 6.935 -1.301 -13.769 1.00 0.00 H new ATOM 0 HG22 THR A 40 7.453 0.119 -12.829 1.00 0.00 H new ATOM 0 HG23 THR A 40 6.792 -1.307 -11.995 1.00 0.00 H new ATOM 581 N VAL A 41 3.523 0.228 -9.792 1.00 0.00 N ATOM 582 CA VAL A 41 3.163 -0.477 -8.529 1.00 0.00 C ATOM 583 C VAL A 41 1.647 -0.804 -8.507 1.00 0.00 C ATOM 584 O VAL A 41 0.821 0.096 -8.434 1.00 0.00 O ATOM 585 CB VAL A 41 3.518 0.378 -7.235 1.00 0.00 C ATOM 586 CG1 VAL A 41 3.133 -0.379 -5.930 1.00 0.00 C ATOM 587 CG2 VAL A 41 5.012 0.805 -7.203 1.00 0.00 C ATOM 0 H VAL A 41 2.843 0.933 -10.075 1.00 0.00 H new ATOM 0 HA VAL A 41 3.751 -1.394 -8.506 1.00 0.00 H new ATOM 0 HB VAL A 41 2.921 1.288 -7.290 1.00 0.00 H new ATOM 0 HG11 VAL A 41 3.389 0.233 -5.065 1.00 0.00 H new ATOM 0 HG12 VAL A 41 2.062 -0.580 -5.928 1.00 0.00 H new ATOM 0 HG13 VAL A 41 3.679 -1.321 -5.882 1.00 0.00 H new ATOM 0 HG21 VAL A 41 5.205 1.386 -6.301 1.00 0.00 H new ATOM 0 HG22 VAL A 41 5.644 -0.083 -7.205 1.00 0.00 H new ATOM 0 HG23 VAL A 41 5.236 1.412 -8.080 1.00 0.00 H new ATOM 597 N CYS A 42 1.290 -2.094 -8.584 1.00 0.00 N ATOM 598 CA CYS A 42 -0.107 -2.544 -8.386 1.00 0.00 C ATOM 599 C CYS A 42 -0.243 -3.119 -6.965 1.00 0.00 C ATOM 600 O CYS A 42 0.198 -4.234 -6.690 1.00 0.00 O ATOM 601 CB CYS A 42 -0.500 -3.608 -9.435 1.00 0.00 C ATOM 602 SG CYS A 42 -0.451 -3.023 -11.145 1.00 0.00 S ATOM 0 H CYS A 42 1.946 -2.850 -8.782 1.00 0.00 H new ATOM 0 HA CYS A 42 -0.779 -1.695 -8.510 1.00 0.00 H new ATOM 0 HB2 CYS A 42 0.170 -4.463 -9.337 1.00 0.00 H new ATOM 0 HB3 CYS A 42 -1.506 -3.964 -9.214 1.00 0.00 H new ATOM 0 HG CYS A 42 0.784 -2.831 -11.503 1.00 0.00 H new ATOM 608 N ALA A 43 -0.903 -2.359 -6.086 1.00 0.00 N ATOM 609 CA ALA A 43 -1.049 -2.709 -4.657 1.00 0.00 C ATOM 610 C ALA A 43 -2.478 -2.373 -4.183 1.00 0.00 C ATOM 611 O ALA A 43 -3.095 -1.432 -4.687 1.00 0.00 O ATOM 612 CB ALA A 43 0.015 -1.959 -3.836 1.00 0.00 C ATOM 0 H ALA A 43 -1.355 -1.480 -6.339 1.00 0.00 H new ATOM 0 HA ALA A 43 -0.894 -3.778 -4.514 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -0.091 -2.216 -2.782 1.00 0.00 H new ATOM 0 HB2 ALA A 43 1.009 -2.245 -4.181 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -0.118 -0.885 -3.963 1.00 0.00 H new ATOM 618 N GLU A 44 -3.010 -3.152 -3.231 1.00 0.00 N ATOM 619 CA GLU A 44 -4.423 -3.030 -2.801 1.00 0.00 C ATOM 620 C GLU A 44 -4.532 -2.375 -1.419 1.00 0.00 C ATOM 621 O GLU A 44 -4.080 -2.939 -0.416 1.00 0.00 O ATOM 622 CB GLU A 44 -5.094 -4.431 -2.791 1.00 0.00 C ATOM 623 CG GLU A 44 -5.134 -5.092 -4.181 1.00 0.00 C ATOM 624 CD GLU A 44 -5.753 -6.503 -4.210 1.00 0.00 C ATOM 625 OE1 GLU A 44 -5.519 -7.292 -3.266 1.00 0.00 O ATOM 626 OE2 GLU A 44 -6.441 -6.846 -5.200 1.00 0.00 O ATOM 0 H GLU A 44 -2.487 -3.877 -2.739 1.00 0.00 H new ATOM 0 HA GLU A 44 -4.942 -2.388 -3.513 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -4.554 -5.081 -2.102 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -6.111 -4.337 -2.411 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -5.698 -4.449 -4.857 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -4.117 -5.149 -4.570 1.00 0.00 H new ATOM 633 N MET A 45 -5.101 -1.151 -1.378 1.00 0.00 N ATOM 634 CA MET A 45 -5.466 -0.494 -0.098 1.00 0.00 C ATOM 635 C MET A 45 -6.996 -0.427 0.073 1.00 0.00 C ATOM 636 O MET A 45 -7.720 -0.084 -0.861 1.00 0.00 O ATOM 637 CB MET A 45 -4.826 0.912 0.054 1.00 0.00 C ATOM 638 CG MET A 45 -3.299 0.940 -0.179 1.00 0.00 C ATOM 639 SD MET A 45 -2.485 2.358 0.584 1.00 0.00 S ATOM 640 CE MET A 45 -3.350 3.733 -0.152 1.00 0.00 C ATOM 0 H MET A 45 -5.317 -0.599 -2.208 1.00 0.00 H new ATOM 0 HA MET A 45 -5.057 -1.113 0.700 1.00 0.00 H new ATOM 0 HB2 MET A 45 -5.302 1.594 -0.650 1.00 0.00 H new ATOM 0 HB3 MET A 45 -5.037 1.289 1.055 1.00 0.00 H new ATOM 0 HG2 MET A 45 -2.862 0.023 0.216 1.00 0.00 H new ATOM 0 HG3 MET A 45 -3.102 0.951 -1.251 1.00 0.00 H new ATOM 0 HE1 MET A 45 -2.649 4.338 -0.727 1.00 0.00 H new ATOM 0 HE2 MET A 45 -4.133 3.359 -0.812 1.00 0.00 H new ATOM 0 HE3 MET A 45 -3.797 4.343 0.632 1.00 0.00 H new ATOM 650 N THR A 46 -7.466 -0.715 1.299 1.00 0.00 N ATOM 651 CA THR A 46 -8.906 -0.882 1.607 1.00 0.00 C ATOM 652 C THR A 46 -9.593 0.470 1.863 1.00 0.00 C ATOM 653 O THR A 46 -8.926 1.497 2.052 1.00 0.00 O ATOM 654 CB THR A 46 -9.119 -1.789 2.867 1.00 0.00 C ATOM 655 OG1 THR A 46 -8.453 -1.217 4.010 1.00 0.00 O ATOM 656 CG2 THR A 46 -8.616 -3.229 2.647 1.00 0.00 C ATOM 0 H THR A 46 -6.860 -0.840 2.110 1.00 0.00 H new ATOM 0 HA THR A 46 -9.352 -1.356 0.732 1.00 0.00 H new ATOM 0 HB THR A 46 -10.193 -1.837 3.046 1.00 0.00 H new ATOM 0 HG1 THR A 46 -8.594 -1.791 4.792 1.00 0.00 H new ATOM 0 HG21 THR A 46 -8.787 -3.816 3.549 1.00 0.00 H new ATOM 0 HG22 THR A 46 -9.155 -3.679 1.814 1.00 0.00 H new ATOM 0 HG23 THR A 46 -7.550 -3.212 2.422 1.00 0.00 H new ATOM 664 N GLU A 47 -10.938 0.443 1.901 1.00 0.00 N ATOM 665 CA GLU A 47 -11.767 1.646 2.122 1.00 0.00 C ATOM 666 C GLU A 47 -11.472 2.292 3.490 1.00 0.00 C ATOM 667 O GLU A 47 -11.583 3.502 3.640 1.00 0.00 O ATOM 668 CB GLU A 47 -13.273 1.311 1.987 1.00 0.00 C ATOM 669 CG GLU A 47 -14.173 2.544 1.796 1.00 0.00 C ATOM 670 CD GLU A 47 -15.674 2.211 1.778 1.00 0.00 C ATOM 671 OE1 GLU A 47 -16.265 2.031 2.867 1.00 0.00 O ATOM 672 OE2 GLU A 47 -16.265 2.122 0.679 1.00 0.00 O ATOM 0 H GLU A 47 -11.482 -0.411 1.780 1.00 0.00 H new ATOM 0 HA GLU A 47 -11.506 2.371 1.351 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -13.411 0.639 1.140 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -13.596 0.772 2.878 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -13.976 3.255 2.598 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -13.907 3.037 0.861 1.00 0.00 H new ATOM 679 N GLU A 48 -11.084 1.451 4.470 1.00 0.00 N ATOM 680 CA GLU A 48 -10.640 1.890 5.801 1.00 0.00 C ATOM 681 C GLU A 48 -9.565 3.009 5.703 1.00 0.00 C ATOM 682 O GLU A 48 -9.748 4.108 6.238 1.00 0.00 O ATOM 683 CB GLU A 48 -10.077 0.657 6.552 1.00 0.00 C ATOM 684 CG GLU A 48 -9.454 0.936 7.929 1.00 0.00 C ATOM 685 CD GLU A 48 -10.469 1.373 9.002 1.00 0.00 C ATOM 686 OE1 GLU A 48 -11.129 0.491 9.600 1.00 0.00 O ATOM 687 OE2 GLU A 48 -10.626 2.591 9.248 1.00 0.00 O ATOM 0 H GLU A 48 -11.071 0.438 4.354 1.00 0.00 H new ATOM 0 HA GLU A 48 -11.486 2.311 6.345 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -10.883 -0.066 6.679 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -9.322 0.186 5.922 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -8.942 0.037 8.273 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -8.697 1.713 7.823 1.00 0.00 H new ATOM 694 N PHE A 49 -8.464 2.739 4.970 1.00 0.00 N ATOM 695 CA PHE A 49 -7.365 3.712 4.834 1.00 0.00 C ATOM 696 C PHE A 49 -7.705 4.864 3.854 1.00 0.00 C ATOM 697 O PHE A 49 -7.303 6.002 4.092 1.00 0.00 O ATOM 698 CB PHE A 49 -6.036 3.040 4.416 1.00 0.00 C ATOM 699 CG PHE A 49 -4.873 4.033 4.406 1.00 0.00 C ATOM 700 CD1 PHE A 49 -4.493 4.681 5.584 1.00 0.00 C ATOM 701 CD2 PHE A 49 -4.208 4.369 3.231 1.00 0.00 C ATOM 702 CE1 PHE A 49 -3.482 5.616 5.583 1.00 0.00 C ATOM 703 CE2 PHE A 49 -3.197 5.314 3.235 1.00 0.00 C ATOM 704 CZ PHE A 49 -2.833 5.936 4.409 1.00 0.00 C ATOM 0 H PHE A 49 -8.315 1.863 4.469 1.00 0.00 H new ATOM 0 HA PHE A 49 -7.236 4.143 5.827 1.00 0.00 H new ATOM 0 HB2 PHE A 49 -5.810 2.224 5.102 1.00 0.00 H new ATOM 0 HB3 PHE A 49 -6.147 2.601 3.424 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -4.999 4.445 6.508 1.00 0.00 H new ATOM 0 HD2 PHE A 49 -4.484 3.887 2.305 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -3.196 6.100 6.505 1.00 0.00 H new ATOM 0 HE2 PHE A 49 -2.691 5.565 2.314 1.00 0.00 H new ATOM 0 HZ PHE A 49 -2.042 6.672 4.410 1.00 0.00 H new ATOM 714 N LEU A 50 -8.416 4.574 2.749 1.00 0.00 N ATOM 715 CA LEU A 50 -8.747 5.611 1.729 1.00 0.00 C ATOM 716 C LEU A 50 -9.737 6.676 2.290 1.00 0.00 C ATOM 717 O LEU A 50 -9.643 7.864 1.951 1.00 0.00 O ATOM 718 CB LEU A 50 -9.260 4.942 0.416 1.00 0.00 C ATOM 719 CG LEU A 50 -8.162 4.431 -0.570 1.00 0.00 C ATOM 720 CD1 LEU A 50 -7.231 3.402 0.083 1.00 0.00 C ATOM 721 CD2 LEU A 50 -8.809 3.873 -1.856 1.00 0.00 C ATOM 0 H LEU A 50 -8.773 3.644 2.532 1.00 0.00 H new ATOM 0 HA LEU A 50 -7.834 6.153 1.480 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -9.897 4.100 0.686 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -9.888 5.660 -0.112 1.00 0.00 H new ATOM 0 HG LEU A 50 -7.539 5.284 -0.841 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -6.484 3.076 -0.641 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -6.732 3.855 0.940 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -7.814 2.543 0.415 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -8.030 3.521 -2.532 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -9.469 3.044 -1.601 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -9.385 4.659 -2.344 1.00 0.00 H new ATOM 733 N LEU A 51 -10.649 6.239 3.178 1.00 0.00 N ATOM 734 CA LEU A 51 -11.530 7.148 3.954 1.00 0.00 C ATOM 735 C LEU A 51 -10.736 7.894 5.056 1.00 0.00 C ATOM 736 O LEU A 51 -11.149 8.960 5.486 1.00 0.00 O ATOM 737 CB LEU A 51 -12.745 6.398 4.572 1.00 0.00 C ATOM 738 CG LEU A 51 -13.778 5.786 3.567 1.00 0.00 C ATOM 739 CD1 LEU A 51 -14.971 5.147 4.317 1.00 0.00 C ATOM 740 CD2 LEU A 51 -14.261 6.827 2.531 1.00 0.00 C ATOM 0 H LEU A 51 -10.800 5.251 3.381 1.00 0.00 H new ATOM 0 HA LEU A 51 -11.920 7.884 3.251 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -12.364 5.593 5.201 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -13.275 7.090 5.226 1.00 0.00 H new ATOM 0 HG LEU A 51 -13.265 4.998 3.015 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -15.673 4.730 3.595 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -14.607 4.354 4.970 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -15.474 5.907 4.915 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -14.976 6.361 1.853 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -14.740 7.659 3.047 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -13.408 7.196 1.961 1.00 0.00 H new ATOM 752 N PHE A 52 -9.646 7.288 5.559 1.00 0.00 N ATOM 753 CA PHE A 52 -8.719 7.965 6.504 1.00 0.00 C ATOM 754 C PHE A 52 -7.828 9.030 5.786 1.00 0.00 C ATOM 755 O PHE A 52 -7.500 10.073 6.367 1.00 0.00 O ATOM 756 CB PHE A 52 -7.838 6.909 7.230 1.00 0.00 C ATOM 757 CG PHE A 52 -6.872 7.500 8.262 1.00 0.00 C ATOM 758 CD1 PHE A 52 -7.361 8.239 9.343 1.00 0.00 C ATOM 759 CD2 PHE A 52 -5.487 7.339 8.147 1.00 0.00 C ATOM 760 CE1 PHE A 52 -6.502 8.796 10.270 1.00 0.00 C ATOM 761 CE2 PHE A 52 -4.631 7.897 9.081 1.00 0.00 C ATOM 762 CZ PHE A 52 -5.139 8.626 10.140 1.00 0.00 C ATOM 0 H PHE A 52 -9.379 6.330 5.331 1.00 0.00 H new ATOM 0 HA PHE A 52 -9.321 8.497 7.241 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -8.488 6.190 7.728 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -7.264 6.357 6.486 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -8.426 8.376 9.455 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -5.081 6.774 7.321 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -6.898 9.365 11.098 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -3.564 7.762 8.982 1.00 0.00 H new ATOM 0 HZ PHE A 52 -4.469 9.063 10.866 1.00 0.00 H new ATOM 772 N SER A 53 -7.453 8.760 4.516 1.00 0.00 N ATOM 773 CA SER A 53 -6.522 9.628 3.733 1.00 0.00 C ATOM 774 C SER A 53 -7.129 11.013 3.413 1.00 0.00 C ATOM 775 O SER A 53 -6.400 12.004 3.303 1.00 0.00 O ATOM 776 CB SER A 53 -6.091 8.930 2.419 1.00 0.00 C ATOM 777 OG SER A 53 -5.302 7.775 2.670 1.00 0.00 O ATOM 0 H SER A 53 -7.780 7.943 4.001 1.00 0.00 H new ATOM 0 HA SER A 53 -5.647 9.789 4.363 1.00 0.00 H new ATOM 0 HB2 SER A 53 -6.977 8.649 1.849 1.00 0.00 H new ATOM 0 HB3 SER A 53 -5.526 9.630 1.804 1.00 0.00 H new ATOM 0 HG SER A 53 -5.842 7.105 3.139 1.00 0.00 H new ATOM 1109 N ALA A 74 -11.201 1.624 -3.498 1.00 0.00 N ATOM 1110 CA ALA A 74 -10.748 0.696 -2.447 1.00 0.00 C ATOM 1111 C ALA A 74 -10.515 -0.742 -2.983 1.00 0.00 C ATOM 1112 O ALA A 74 -11.458 -1.430 -3.392 1.00 0.00 O ATOM 1113 CB ALA A 74 -11.760 0.700 -1.307 1.00 0.00 C ATOM 0 HA ALA A 74 -9.781 1.042 -2.081 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -11.431 0.015 -0.526 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -11.842 1.706 -0.897 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -12.732 0.381 -1.683 1.00 0.00 H new ATOM 1119 N GLY A 75 -9.237 -1.160 -2.995 1.00 0.00 N ATOM 1120 CA GLY A 75 -8.838 -2.515 -3.420 1.00 0.00 C ATOM 1121 C GLY A 75 -8.331 -2.588 -4.863 1.00 0.00 C ATOM 1122 O GLY A 75 -7.948 -3.662 -5.334 1.00 0.00 O ATOM 0 H GLY A 75 -8.454 -0.571 -2.712 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -8.058 -2.880 -2.752 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -9.690 -3.185 -3.310 1.00 0.00 H new ATOM 1126 N ASP A 76 -8.333 -1.446 -5.573 1.00 0.00 N ATOM 1127 CA ASP A 76 -7.837 -1.367 -6.964 1.00 0.00 C ATOM 1128 C ASP A 76 -6.289 -1.379 -7.021 1.00 0.00 C ATOM 1129 O ASP A 76 -5.627 -0.381 -6.700 1.00 0.00 O ATOM 1130 CB ASP A 76 -8.413 -0.113 -7.666 1.00 0.00 C ATOM 1131 CG ASP A 76 -9.922 -0.238 -7.936 1.00 0.00 C ATOM 1132 OD1 ASP A 76 -10.717 -0.212 -6.974 1.00 0.00 O ATOM 1133 OD2 ASP A 76 -10.322 -0.394 -9.111 1.00 0.00 O ATOM 0 H ASP A 76 -8.675 -0.558 -5.206 1.00 0.00 H new ATOM 0 HA ASP A 76 -8.182 -2.253 -7.497 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -8.228 0.765 -7.047 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -7.889 0.046 -8.609 1.00 0.00 H new ATOM 1138 N ARG A 77 -5.726 -2.533 -7.413 1.00 0.00 N ATOM 1139 CA ARG A 77 -4.278 -2.689 -7.615 1.00 0.00 C ATOM 1140 C ARG A 77 -3.846 -2.142 -9.007 1.00 0.00 C ATOM 1141 O ARG A 77 -3.870 -2.862 -10.015 1.00 0.00 O ATOM 1142 CB ARG A 77 -3.855 -4.180 -7.433 1.00 0.00 C ATOM 1143 CG ARG A 77 -4.698 -5.213 -8.224 1.00 0.00 C ATOM 1144 CD ARG A 77 -4.211 -6.656 -8.026 1.00 0.00 C ATOM 1145 NE ARG A 77 -5.091 -7.647 -8.675 1.00 0.00 N ATOM 1146 CZ ARG A 77 -4.696 -8.637 -9.450 1.00 0.00 C ATOM 1147 NH1 ARG A 77 -3.456 -8.756 -9.821 1.00 0.00 N ATOM 1148 NH2 ARG A 77 -5.561 -9.492 -9.875 1.00 0.00 N ATOM 0 H ARG A 77 -6.261 -3.382 -7.598 1.00 0.00 H new ATOM 0 HA ARG A 77 -3.762 -2.100 -6.857 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -2.812 -4.283 -7.732 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -3.909 -4.428 -6.373 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -5.740 -5.140 -7.912 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -4.665 -4.966 -9.285 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -3.202 -6.753 -8.428 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -4.151 -6.872 -6.959 1.00 0.00 H new ATOM 0 HE ARG A 77 -6.093 -7.558 -8.509 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -2.763 -8.074 -9.512 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -3.175 -9.531 -10.421 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -6.542 -9.399 -9.611 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -5.265 -10.262 -10.475 1.00 0.00 H new ATOM 1162 N TRP A 78 -3.464 -0.855 -9.045 1.00 0.00 N ATOM 1163 CA TRP A 78 -2.960 -0.193 -10.272 1.00 0.00 C ATOM 1164 C TRP A 78 -2.345 1.173 -9.926 1.00 0.00 C ATOM 1165 O TRP A 78 -3.030 2.023 -9.361 1.00 0.00 O ATOM 1166 CB TRP A 78 -4.102 -0.012 -11.310 1.00 0.00 C ATOM 1167 CG TRP A 78 -3.664 0.632 -12.612 1.00 0.00 C ATOM 1168 CD1 TRP A 78 -3.984 1.884 -13.072 1.00 0.00 C ATOM 1169 CD2 TRP A 78 -2.808 0.050 -13.607 1.00 0.00 C ATOM 1170 NE1 TRP A 78 -3.387 2.105 -14.286 1.00 0.00 N ATOM 1171 CE2 TRP A 78 -2.661 0.997 -14.637 1.00 0.00 C ATOM 1172 CE3 TRP A 78 -2.157 -1.183 -13.725 1.00 0.00 C ATOM 1173 CZ2 TRP A 78 -1.895 0.750 -15.773 1.00 0.00 C ATOM 1174 CZ3 TRP A 78 -1.390 -1.425 -14.847 1.00 0.00 C ATOM 1175 CH2 TRP A 78 -1.264 -0.462 -15.859 1.00 0.00 C ATOM 0 H TRP A 78 -3.493 -0.241 -8.231 1.00 0.00 H new ATOM 0 HA TRP A 78 -2.191 -0.829 -10.710 1.00 0.00 H new ATOM 0 HB2 TRP A 78 -4.537 -0.987 -11.529 1.00 0.00 H new ATOM 0 HB3 TRP A 78 -4.890 0.595 -10.864 1.00 0.00 H new ATOM 0 HD1 TRP A 78 -4.614 2.592 -12.554 1.00 0.00 H new ATOM 0 HE1 TRP A 78 -3.470 2.958 -14.840 1.00 0.00 H new ATOM 0 HE3 TRP A 78 -2.253 -1.932 -12.952 1.00 0.00 H new ATOM 0 HZ2 TRP A 78 -1.802 1.487 -16.557 1.00 0.00 H new ATOM 0 HZ3 TRP A 78 -0.879 -2.371 -14.947 1.00 0.00 H new ATOM 0 HH2 TRP A 78 -0.656 -0.681 -16.724 1.00 0.00 H new ATOM 1186 N CYS A 79 -1.044 1.356 -10.251 1.00 0.00 N ATOM 1187 CA CYS A 79 -0.305 2.645 -10.068 1.00 0.00 C ATOM 1188 C CYS A 79 -0.443 3.217 -8.622 1.00 0.00 C ATOM 1189 O CYS A 79 -0.294 4.421 -8.389 1.00 0.00 O ATOM 1190 CB CYS A 79 -0.775 3.668 -11.129 1.00 0.00 C ATOM 1191 SG CYS A 79 0.135 5.236 -11.146 1.00 0.00 S ATOM 0 H CYS A 79 -0.467 0.615 -10.650 1.00 0.00 H new ATOM 0 HA CYS A 79 0.757 2.445 -10.210 1.00 0.00 H new ATOM 0 HB2 CYS A 79 -0.694 3.209 -12.114 1.00 0.00 H new ATOM 0 HB3 CYS A 79 -1.831 3.881 -10.962 1.00 0.00 H new ATOM 0 HG CYS A 79 0.316 5.646 -9.926 1.00 0.00 H new ATOM 1197 N LEU A 80 -0.701 2.307 -7.658 1.00 0.00 N ATOM 1198 CA LEU A 80 -0.917 2.644 -6.244 1.00 0.00 C ATOM 1199 C LEU A 80 0.394 3.189 -5.637 1.00 0.00 C ATOM 1200 O LEU A 80 1.432 2.523 -5.695 1.00 0.00 O ATOM 1201 CB LEU A 80 -1.453 1.377 -5.472 1.00 0.00 C ATOM 1202 CG LEU A 80 -1.895 1.543 -3.967 1.00 0.00 C ATOM 1203 CD1 LEU A 80 -0.700 1.575 -2.982 1.00 0.00 C ATOM 1204 CD2 LEU A 80 -2.816 2.773 -3.789 1.00 0.00 C ATOM 0 H LEU A 80 -0.765 1.307 -7.848 1.00 0.00 H new ATOM 0 HA LEU A 80 -1.672 3.425 -6.152 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -2.306 0.987 -6.027 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -0.675 0.614 -5.507 1.00 0.00 H new ATOM 0 HG LEU A 80 -2.468 0.651 -3.712 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -1.071 1.691 -1.964 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -0.139 0.644 -3.060 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -0.048 2.413 -3.228 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -3.105 2.863 -2.742 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -2.284 3.673 -4.097 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -3.709 2.651 -4.403 1.00 0.00 H new ATOM 1216 N CYS A 81 0.327 4.414 -5.081 1.00 0.00 N ATOM 1217 CA CYS A 81 1.482 5.076 -4.438 1.00 0.00 C ATOM 1218 C CYS A 81 2.026 4.224 -3.269 1.00 0.00 C ATOM 1219 O CYS A 81 1.421 4.175 -2.192 1.00 0.00 O ATOM 1220 CB CYS A 81 1.089 6.482 -3.940 1.00 0.00 C ATOM 1221 SG CYS A 81 2.416 7.374 -3.085 1.00 0.00 S ATOM 0 H CYS A 81 -0.526 4.973 -5.064 1.00 0.00 H new ATOM 0 HA CYS A 81 2.272 5.177 -5.182 1.00 0.00 H new ATOM 0 HB2 CYS A 81 0.759 7.076 -4.792 1.00 0.00 H new ATOM 0 HB3 CYS A 81 0.237 6.390 -3.266 1.00 0.00 H new ATOM 0 HG CYS A 81 3.540 6.743 -3.251 1.00 0.00 H new ATOM 1227 N ALA A 82 3.154 3.519 -3.523 1.00 0.00 N ATOM 1228 CA ALA A 82 3.840 2.660 -2.520 1.00 0.00 C ATOM 1229 C ALA A 82 4.256 3.455 -1.252 1.00 0.00 C ATOM 1230 O ALA A 82 4.367 2.890 -0.164 1.00 0.00 O ATOM 1231 CB ALA A 82 5.062 1.977 -3.161 1.00 0.00 C ATOM 0 H ALA A 82 3.618 3.528 -4.431 1.00 0.00 H new ATOM 0 HA ALA A 82 3.131 1.898 -2.196 1.00 0.00 H new ATOM 0 HB1 ALA A 82 5.559 1.350 -2.420 1.00 0.00 H new ATOM 0 HB2 ALA A 82 4.736 1.360 -3.999 1.00 0.00 H new ATOM 0 HB3 ALA A 82 5.757 2.736 -3.518 1.00 0.00 H new ATOM 1237 N SER A 83 4.478 4.775 -1.427 1.00 0.00 N ATOM 1238 CA SER A 83 4.727 5.718 -0.313 1.00 0.00 C ATOM 1239 C SER A 83 3.468 5.893 0.575 1.00 0.00 C ATOM 1240 O SER A 83 3.579 5.945 1.795 1.00 0.00 O ATOM 1241 CB SER A 83 5.173 7.088 -0.867 1.00 0.00 C ATOM 1242 OG SER A 83 5.397 8.033 0.169 1.00 0.00 O ATOM 0 H SER A 83 4.490 5.219 -2.345 1.00 0.00 H new ATOM 0 HA SER A 83 5.521 5.300 0.306 1.00 0.00 H new ATOM 0 HB2 SER A 83 6.087 6.964 -1.448 1.00 0.00 H new ATOM 0 HB3 SER A 83 4.412 7.469 -1.547 1.00 0.00 H new ATOM 0 HG SER A 83 5.679 8.886 -0.222 1.00 0.00 H new ATOM 1248 N ARG A 84 2.277 5.991 -0.056 1.00 0.00 N ATOM 1249 CA ARG A 84 0.983 6.141 0.670 1.00 0.00 C ATOM 1250 C ARG A 84 0.540 4.811 1.344 1.00 0.00 C ATOM 1251 O ARG A 84 -0.102 4.828 2.401 1.00 0.00 O ATOM 1252 CB ARG A 84 -0.117 6.703 -0.270 1.00 0.00 C ATOM 1253 CG ARG A 84 -1.474 6.979 0.424 1.00 0.00 C ATOM 1254 CD ARG A 84 -2.450 7.822 -0.427 1.00 0.00 C ATOM 1255 NE ARG A 84 -2.000 9.220 -0.566 1.00 0.00 N ATOM 1256 CZ ARG A 84 -2.142 10.168 0.349 1.00 0.00 C ATOM 1257 NH1 ARG A 84 -2.733 9.937 1.487 1.00 0.00 N ATOM 1258 NH2 ARG A 84 -1.688 11.351 0.111 1.00 0.00 N ATOM 0 H ARG A 84 2.179 5.969 -1.071 1.00 0.00 H new ATOM 0 HA ARG A 84 1.136 6.863 1.472 1.00 0.00 H new ATOM 0 HB2 ARG A 84 0.243 7.629 -0.717 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -0.277 5.997 -1.085 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -1.947 6.028 0.667 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -1.291 7.494 1.367 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -2.549 7.373 -1.416 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -3.439 7.804 0.031 1.00 0.00 H new ATOM 0 HE ARG A 84 -1.541 9.479 -1.439 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -3.100 9.008 1.692 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -2.828 10.686 2.173 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -1.224 11.551 -0.775 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -1.793 12.087 0.809 1.00 0.00 H new ATOM 1272 N TRP A 85 0.891 3.661 0.731 1.00 0.00 N ATOM 1273 CA TRP A 85 0.741 2.334 1.385 1.00 0.00 C ATOM 1274 C TRP A 85 1.674 2.265 2.622 1.00 0.00 C ATOM 1275 O TRP A 85 1.274 1.785 3.690 1.00 0.00 O ATOM 1276 CB TRP A 85 0.987 1.170 0.360 1.00 0.00 C ATOM 1277 CG TRP A 85 1.561 -0.107 0.954 1.00 0.00 C ATOM 1278 CD1 TRP A 85 2.740 -0.687 0.605 1.00 0.00 C ATOM 1279 CD2 TRP A 85 1.014 -0.932 2.008 1.00 0.00 C ATOM 1280 NE1 TRP A 85 2.994 -1.768 1.408 1.00 0.00 N ATOM 1281 CE2 TRP A 85 1.950 -1.948 2.264 1.00 0.00 C ATOM 1282 CE3 TRP A 85 -0.154 -0.900 2.773 1.00 0.00 C ATOM 1283 CZ2 TRP A 85 1.753 -2.922 3.245 1.00 0.00 C ATOM 1284 CZ3 TRP A 85 -0.343 -1.864 3.740 1.00 0.00 C ATOM 1285 CH2 TRP A 85 0.605 -2.860 3.971 1.00 0.00 C ATOM 0 H TRP A 85 1.279 3.619 -0.211 1.00 0.00 H new ATOM 0 HA TRP A 85 -0.283 2.207 1.737 1.00 0.00 H new ATOM 0 HB2 TRP A 85 0.042 0.932 -0.128 1.00 0.00 H new ATOM 0 HB3 TRP A 85 1.665 1.528 -0.415 1.00 0.00 H new ATOM 0 HD1 TRP A 85 3.384 -0.345 -0.191 1.00 0.00 H new ATOM 0 HE1 TRP A 85 3.833 -2.347 1.371 1.00 0.00 H new ATOM 0 HE3 TRP A 85 -0.897 -0.133 2.610 1.00 0.00 H new ATOM 0 HZ2 TRP A 85 2.485 -3.696 3.421 1.00 0.00 H new ATOM 0 HZ3 TRP A 85 -1.246 -1.847 4.332 1.00 0.00 H new ATOM 0 HH2 TRP A 85 0.424 -3.596 4.741 1.00 0.00 H new ATOM 1296 N GLN A 86 2.910 2.775 2.467 1.00 0.00 N ATOM 1297 CA GLN A 86 3.870 2.897 3.585 1.00 0.00 C ATOM 1298 C GLN A 86 3.281 3.763 4.725 1.00 0.00 C ATOM 1299 O GLN A 86 3.471 3.455 5.898 1.00 0.00 O ATOM 1300 CB GLN A 86 5.216 3.500 3.100 1.00 0.00 C ATOM 1301 CG GLN A 86 6.326 3.558 4.179 1.00 0.00 C ATOM 1302 CD GLN A 86 6.741 2.179 4.705 1.00 0.00 C ATOM 1303 OE1 GLN A 86 6.055 1.686 5.723 1.00 0.00 O flip ATOM 1304 NE2 GLN A 86 7.652 1.557 4.184 1.00 0.00 N flip ATOM 0 H GLN A 86 3.271 3.111 1.574 1.00 0.00 H new ATOM 0 HA GLN A 86 4.059 1.895 3.970 1.00 0.00 H new ATOM 0 HB2 GLN A 86 5.579 2.912 2.257 1.00 0.00 H new ATOM 0 HB3 GLN A 86 5.034 4.509 2.731 1.00 0.00 H new ATOM 0 HG2 GLN A 86 7.201 4.057 3.762 1.00 0.00 H new ATOM 0 HG3 GLN A 86 5.979 4.167 5.014 1.00 0.00 H new ATOM 0 HE21 GLN A 86 8.164 1.962 3.400 1.00 0.00 H new ATOM 0 HE22 GLN A 86 7.902 0.631 4.532 1.00 0.00 H new ATOM 1313 N GLU A 87 2.543 4.828 4.354 1.00 0.00 N ATOM 1314 CA GLU A 87 1.850 5.704 5.326 1.00 0.00 C ATOM 1315 C GLU A 87 0.784 4.930 6.138 1.00 0.00 C ATOM 1316 O GLU A 87 0.638 5.164 7.335 1.00 0.00 O ATOM 1317 CB GLU A 87 1.192 6.925 4.621 1.00 0.00 C ATOM 1318 CG GLU A 87 2.172 7.887 3.898 1.00 0.00 C ATOM 1319 CD GLU A 87 3.080 8.756 4.801 1.00 0.00 C ATOM 1320 OE1 GLU A 87 3.097 8.587 6.042 1.00 0.00 O ATOM 1321 OE2 GLU A 87 3.777 9.640 4.259 1.00 0.00 O ATOM 0 H GLU A 87 2.410 5.105 3.382 1.00 0.00 H new ATOM 0 HA GLU A 87 2.611 6.067 6.017 1.00 0.00 H new ATOM 0 HB2 GLU A 87 0.469 6.556 3.893 1.00 0.00 H new ATOM 0 HB3 GLU A 87 0.634 7.494 5.364 1.00 0.00 H new ATOM 0 HG2 GLU A 87 2.810 7.294 3.242 1.00 0.00 H new ATOM 0 HG3 GLU A 87 1.589 8.551 3.260 1.00 0.00 H new ATOM 1328 N ALA A 88 0.048 4.008 5.476 1.00 0.00 N ATOM 1329 CA ALA A 88 -0.926 3.121 6.156 1.00 0.00 C ATOM 1330 C ALA A 88 -0.226 2.170 7.141 1.00 0.00 C ATOM 1331 O ALA A 88 -0.710 1.933 8.257 1.00 0.00 O ATOM 1332 CB ALA A 88 -1.707 2.310 5.114 1.00 0.00 C ATOM 0 H ALA A 88 0.110 3.858 4.469 1.00 0.00 H new ATOM 0 HA ALA A 88 -1.614 3.747 6.724 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -2.421 1.660 5.620 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -2.241 2.989 4.450 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -1.014 1.703 4.531 1.00 0.00 H new ATOM 1338 N PHE A 89 0.924 1.645 6.699 1.00 0.00 N ATOM 1339 CA PHE A 89 1.711 0.656 7.454 1.00 0.00 C ATOM 1340 C PHE A 89 2.315 1.276 8.740 1.00 0.00 C ATOM 1341 O PHE A 89 2.280 0.667 9.814 1.00 0.00 O ATOM 1342 CB PHE A 89 2.804 0.061 6.524 1.00 0.00 C ATOM 1343 CG PHE A 89 3.466 -1.205 7.064 1.00 0.00 C ATOM 1344 CD1 PHE A 89 2.825 -2.442 6.966 1.00 0.00 C ATOM 1345 CD2 PHE A 89 4.711 -1.160 7.682 1.00 0.00 C ATOM 1346 CE1 PHE A 89 3.411 -3.585 7.465 1.00 0.00 C ATOM 1347 CE2 PHE A 89 5.294 -2.306 8.183 1.00 0.00 C ATOM 1348 CZ PHE A 89 4.645 -3.516 8.074 1.00 0.00 C ATOM 0 H PHE A 89 1.339 1.895 5.801 1.00 0.00 H new ATOM 0 HA PHE A 89 1.057 -0.151 7.784 1.00 0.00 H new ATOM 0 HB2 PHE A 89 2.358 -0.161 5.554 1.00 0.00 H new ATOM 0 HB3 PHE A 89 3.572 0.816 6.356 1.00 0.00 H new ATOM 0 HD1 PHE A 89 1.856 -2.504 6.492 1.00 0.00 H new ATOM 0 HD2 PHE A 89 5.228 -0.216 7.771 1.00 0.00 H new ATOM 0 HE1 PHE A 89 2.903 -4.534 7.379 1.00 0.00 H new ATOM 0 HE2 PHE A 89 6.261 -2.254 8.661 1.00 0.00 H new ATOM 0 HZ PHE A 89 5.104 -4.412 8.466 1.00 0.00 H new ATOM 1358 N GLU A 90 2.841 2.507 8.617 1.00 0.00 N ATOM 1359 CA GLU A 90 3.455 3.248 9.747 1.00 0.00 C ATOM 1360 C GLU A 90 2.388 3.852 10.692 1.00 0.00 C ATOM 1361 O GLU A 90 2.621 3.960 11.903 1.00 0.00 O ATOM 1362 CB GLU A 90 4.402 4.353 9.209 1.00 0.00 C ATOM 1363 CG GLU A 90 5.541 3.844 8.288 1.00 0.00 C ATOM 1364 CD GLU A 90 6.475 2.810 8.953 1.00 0.00 C ATOM 1365 OE1 GLU A 90 7.448 3.214 9.619 1.00 0.00 O ATOM 1366 OE2 GLU A 90 6.242 1.588 8.809 1.00 0.00 O ATOM 0 H GLU A 90 2.856 3.021 7.736 1.00 0.00 H new ATOM 0 HA GLU A 90 4.036 2.537 10.334 1.00 0.00 H new ATOM 0 HB2 GLU A 90 3.809 5.084 8.659 1.00 0.00 H new ATOM 0 HB3 GLU A 90 4.846 4.875 10.057 1.00 0.00 H new ATOM 0 HG2 GLU A 90 5.101 3.399 7.396 1.00 0.00 H new ATOM 0 HG3 GLU A 90 6.136 4.696 7.959 1.00 0.00 H new ATOM 1373 N ALA A 91 1.223 4.241 10.128 1.00 0.00 N ATOM 1374 CA ALA A 91 0.071 4.762 10.919 1.00 0.00 C ATOM 1375 C ALA A 91 -0.608 3.644 11.748 1.00 0.00 C ATOM 1376 O ALA A 91 -1.276 3.927 12.745 1.00 0.00 O ATOM 1377 CB ALA A 91 -0.956 5.442 9.996 1.00 0.00 C ATOM 0 H ALA A 91 1.049 4.206 9.124 1.00 0.00 H new ATOM 0 HA ALA A 91 0.462 5.501 11.618 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -1.789 5.816 10.591 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -0.482 6.273 9.474 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -1.326 4.720 9.268 1.00 0.00 H new ATOM 1383 N GLY A 92 -0.432 2.378 11.315 1.00 0.00 N ATOM 1384 CA GLY A 92 -0.930 1.204 12.058 1.00 0.00 C ATOM 1385 C GLY A 92 -2.157 0.533 11.428 1.00 0.00 C ATOM 1386 O GLY A 92 -2.538 -0.568 11.848 1.00 0.00 O ATOM 0 H GLY A 92 0.054 2.143 10.450 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -0.128 0.470 12.134 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -1.179 1.510 13.074 1.00 0.00 H new ATOM 1390 N MET A 93 -2.781 1.192 10.427 1.00 0.00 N ATOM 1391 CA MET A 93 -3.937 0.622 9.685 1.00 0.00 C ATOM 1392 C MET A 93 -3.482 -0.601 8.860 1.00 0.00 C ATOM 1393 O MET A 93 -3.866 -1.735 9.166 1.00 0.00 O ATOM 1394 CB MET A 93 -4.600 1.691 8.760 1.00 0.00 C ATOM 1395 CG MET A 93 -5.263 2.851 9.505 1.00 0.00 C ATOM 1396 SD MET A 93 -4.071 3.826 10.444 1.00 0.00 S ATOM 1397 CE MET A 93 -5.151 4.940 11.334 1.00 0.00 C ATOM 0 H MET A 93 -2.506 2.122 10.111 1.00 0.00 H new ATOM 0 HA MET A 93 -4.685 0.303 10.411 1.00 0.00 H new ATOM 0 HB2 MET A 93 -3.841 2.093 8.089 1.00 0.00 H new ATOM 0 HB3 MET A 93 -5.348 1.201 8.137 1.00 0.00 H new ATOM 0 HG2 MET A 93 -5.774 3.495 8.790 1.00 0.00 H new ATOM 0 HG3 MET A 93 -6.023 2.460 10.181 1.00 0.00 H new ATOM 0 HE1 MET A 93 -4.554 5.605 11.958 1.00 0.00 H new ATOM 0 HE2 MET A 93 -5.729 5.531 10.624 1.00 0.00 H new ATOM 0 HE3 MET A 93 -5.829 4.364 11.963 1.00 0.00 H new ATOM 1407 N ALA A 94 -2.637 -0.328 7.842 1.00 0.00 N ATOM 1408 CA ALA A 94 -2.009 -1.338 6.963 1.00 0.00 C ATOM 1409 C ALA A 94 -3.005 -2.395 6.399 1.00 0.00 C ATOM 1410 O ALA A 94 -3.223 -3.445 7.015 1.00 0.00 O ATOM 1411 CB ALA A 94 -0.803 -1.992 7.651 1.00 0.00 C ATOM 0 H ALA A 94 -2.366 0.626 7.603 1.00 0.00 H new ATOM 0 HA ALA A 94 -1.651 -0.796 6.088 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -0.360 -2.731 6.983 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -0.063 -1.229 7.891 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -1.129 -2.482 8.569 1.00 0.00 H new ATOM 1417 N PRO A 95 -3.659 -2.098 5.241 1.00 0.00 N ATOM 1418 CA PRO A 95 -4.512 -3.081 4.509 1.00 0.00 C ATOM 1419 C PRO A 95 -3.710 -4.301 3.944 1.00 0.00 C ATOM 1420 O PRO A 95 -2.486 -4.221 3.769 1.00 0.00 O ATOM 1421 CB PRO A 95 -5.110 -2.220 3.362 1.00 0.00 C ATOM 1422 CG PRO A 95 -4.140 -1.095 3.189 1.00 0.00 C ATOM 1423 CD PRO A 95 -3.670 -0.769 4.574 1.00 0.00 C ATOM 0 HA PRO A 95 -5.256 -3.542 5.158 1.00 0.00 H new ATOM 0 HB2 PRO A 95 -5.213 -2.799 2.444 1.00 0.00 H new ATOM 0 HB3 PRO A 95 -6.103 -1.851 3.620 1.00 0.00 H new ATOM 0 HG2 PRO A 95 -3.308 -1.387 2.549 1.00 0.00 H new ATOM 0 HG3 PRO A 95 -4.615 -0.233 2.721 1.00 0.00 H new ATOM 0 HD2 PRO A 95 -2.681 -0.312 4.568 1.00 0.00 H new ATOM 0 HD3 PRO A 95 -4.341 -0.071 5.075 1.00 0.00 H new ATOM 1431 N PRO A 96 -4.393 -5.461 3.666 1.00 0.00 N ATOM 1432 CA PRO A 96 -3.749 -6.623 3.004 1.00 0.00 C ATOM 1433 C PRO A 96 -3.377 -6.328 1.518 1.00 0.00 C ATOM 1434 O PRO A 96 -4.255 -6.200 0.651 1.00 0.00 O ATOM 1435 CB PRO A 96 -4.812 -7.750 3.139 1.00 0.00 C ATOM 1436 CG PRO A 96 -6.122 -7.025 3.267 1.00 0.00 C ATOM 1437 CD PRO A 96 -5.816 -5.746 4.016 1.00 0.00 C ATOM 0 HA PRO A 96 -2.796 -6.891 3.459 1.00 0.00 H new ATOM 0 HB2 PRO A 96 -4.806 -8.406 2.269 1.00 0.00 H new ATOM 0 HB3 PRO A 96 -4.618 -8.375 4.011 1.00 0.00 H new ATOM 0 HG2 PRO A 96 -6.548 -6.811 2.287 1.00 0.00 H new ATOM 0 HG3 PRO A 96 -6.852 -7.629 3.807 1.00 0.00 H new ATOM 0 HD2 PRO A 96 -6.474 -4.934 3.707 1.00 0.00 H new ATOM 0 HD3 PRO A 96 -5.946 -5.871 5.091 1.00 0.00 H new ATOM 1445 N VAL A 97 -2.062 -6.209 1.246 1.00 0.00 N ATOM 1446 CA VAL A 97 -1.526 -5.910 -0.102 1.00 0.00 C ATOM 1447 C VAL A 97 -1.116 -7.214 -0.837 1.00 0.00 C ATOM 1448 O VAL A 97 -0.534 -8.123 -0.248 1.00 0.00 O ATOM 1449 CB VAL A 97 -0.314 -4.893 -0.024 1.00 0.00 C ATOM 1450 CG1 VAL A 97 0.800 -5.387 0.925 1.00 0.00 C ATOM 1451 CG2 VAL A 97 0.260 -4.578 -1.429 1.00 0.00 C ATOM 0 H VAL A 97 -1.338 -6.317 1.956 1.00 0.00 H new ATOM 0 HA VAL A 97 -2.319 -5.435 -0.679 1.00 0.00 H new ATOM 0 HB VAL A 97 -0.712 -3.968 0.392 1.00 0.00 H new ATOM 0 HG11 VAL A 97 1.610 -4.658 0.946 1.00 0.00 H new ATOM 0 HG12 VAL A 97 0.395 -5.509 1.929 1.00 0.00 H new ATOM 0 HG13 VAL A 97 1.183 -6.344 0.570 1.00 0.00 H new ATOM 0 HG21 VAL A 97 1.089 -3.877 -1.334 1.00 0.00 H new ATOM 0 HG22 VAL A 97 0.614 -5.499 -1.892 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -0.519 -4.136 -2.050 1.00 0.00 H new ATOM 1461 N VAL A 98 -1.463 -7.296 -2.124 1.00 0.00 N ATOM 1462 CA VAL A 98 -1.257 -8.500 -2.961 1.00 0.00 C ATOM 1463 C VAL A 98 0.230 -8.673 -3.435 1.00 0.00 C ATOM 1464 O VAL A 98 0.721 -7.946 -4.301 1.00 0.00 O ATOM 1465 CB VAL A 98 -2.259 -8.471 -4.180 1.00 0.00 C ATOM 1466 CG1 VAL A 98 -2.141 -7.154 -4.990 1.00 0.00 C ATOM 1467 CG2 VAL A 98 -2.098 -9.715 -5.079 1.00 0.00 C ATOM 0 H VAL A 98 -1.900 -6.524 -2.628 1.00 0.00 H new ATOM 0 HA VAL A 98 -1.467 -9.374 -2.344 1.00 0.00 H new ATOM 0 HB VAL A 98 -3.268 -8.502 -3.769 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -2.847 -7.173 -5.820 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -2.366 -6.307 -4.342 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -1.127 -7.055 -5.378 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -2.804 -9.659 -5.907 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -1.082 -9.752 -5.471 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -2.294 -10.614 -4.495 1.00 0.00 H new ATOM 1477 N LEU A 99 0.934 -9.665 -2.851 1.00 0.00 N ATOM 1478 CA LEU A 99 2.345 -10.000 -3.202 1.00 0.00 C ATOM 1479 C LEU A 99 2.478 -10.583 -4.627 1.00 0.00 C ATOM 1480 O LEU A 99 3.449 -10.301 -5.337 1.00 0.00 O ATOM 1481 CB LEU A 99 2.911 -11.013 -2.181 1.00 0.00 C ATOM 1482 CG LEU A 99 3.111 -10.478 -0.735 1.00 0.00 C ATOM 1483 CD1 LEU A 99 3.492 -11.619 0.221 1.00 0.00 C ATOM 1484 CD2 LEU A 99 4.154 -9.340 -0.713 1.00 0.00 C ATOM 0 H LEU A 99 0.546 -10.262 -2.120 1.00 0.00 H new ATOM 0 HA LEU A 99 2.913 -9.070 -3.172 1.00 0.00 H new ATOM 0 HB2 LEU A 99 2.241 -11.872 -2.141 1.00 0.00 H new ATOM 0 HB3 LEU A 99 3.871 -11.374 -2.550 1.00 0.00 H new ATOM 0 HG LEU A 99 2.166 -10.062 -0.386 1.00 0.00 H new ATOM 0 HD11 LEU A 99 3.627 -11.221 1.227 1.00 0.00 H new ATOM 0 HD12 LEU A 99 2.699 -12.367 0.230 1.00 0.00 H new ATOM 0 HD13 LEU A 99 4.421 -12.080 -0.114 1.00 0.00 H new ATOM 0 HD21 LEU A 99 4.279 -8.980 0.308 1.00 0.00 H new ATOM 0 HD22 LEU A 99 5.108 -9.714 -1.085 1.00 0.00 H new ATOM 0 HD23 LEU A 99 3.813 -8.521 -1.347 1.00 0.00 H new ATOM 1496 N GLN A 100 1.479 -11.391 -5.032 1.00 0.00 N ATOM 1497 CA GLN A 100 1.449 -12.063 -6.361 1.00 0.00 C ATOM 1498 C GLN A 100 1.014 -11.105 -7.512 1.00 0.00 C ATOM 1499 O GLN A 100 0.607 -11.560 -8.590 1.00 0.00 O ATOM 1500 CB GLN A 100 0.522 -13.317 -6.278 1.00 0.00 C ATOM 1501 CG GLN A 100 -0.935 -13.019 -5.846 1.00 0.00 C ATOM 1502 CD GLN A 100 -1.826 -14.259 -5.658 1.00 0.00 C ATOM 1503 OE1 GLN A 100 -2.713 -14.273 -4.815 1.00 0.00 O ATOM 1504 NE2 GLN A 100 -1.628 -15.289 -6.459 1.00 0.00 N ATOM 0 H GLN A 100 0.666 -11.601 -4.452 1.00 0.00 H new ATOM 0 HA GLN A 100 2.464 -12.375 -6.608 1.00 0.00 H new ATOM 0 HB2 GLN A 100 0.505 -13.804 -7.253 1.00 0.00 H new ATOM 0 HB3 GLN A 100 0.957 -14.027 -5.575 1.00 0.00 H new ATOM 0 HG2 GLN A 100 -0.913 -12.461 -4.910 1.00 0.00 H new ATOM 0 HG3 GLN A 100 -1.394 -12.371 -6.593 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -0.883 -15.258 -7.155 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -2.220 -16.116 -6.382 1.00 0.00 H new ATOM 1513 N SER A 101 1.139 -9.779 -7.285 1.00 0.00 N ATOM 1514 CA SER A 101 0.856 -8.740 -8.304 1.00 0.00 C ATOM 1515 C SER A 101 1.854 -7.559 -8.197 1.00 0.00 C ATOM 1516 O SER A 101 2.353 -7.097 -9.223 1.00 0.00 O ATOM 1517 CB SER A 101 -0.590 -8.220 -8.160 1.00 0.00 C ATOM 1518 OG SER A 101 -0.918 -7.239 -9.140 1.00 0.00 O ATOM 0 H SER A 101 1.440 -9.397 -6.388 1.00 0.00 H new ATOM 0 HA SER A 101 0.974 -9.200 -9.285 1.00 0.00 H new ATOM 0 HB2 SER A 101 -1.283 -9.057 -8.242 1.00 0.00 H new ATOM 0 HB3 SER A 101 -0.722 -7.794 -7.166 1.00 0.00 H new ATOM 0 HG SER A 101 -0.948 -7.658 -10.025 1.00 0.00 H new ATOM 1524 N THR A 102 2.132 -7.090 -6.950 1.00 0.00 N ATOM 1525 CA THR A 102 2.969 -5.878 -6.682 1.00 0.00 C ATOM 1526 C THR A 102 4.389 -5.979 -7.305 1.00 0.00 C ATOM 1527 O THR A 102 5.157 -6.899 -6.993 1.00 0.00 O ATOM 1528 CB THR A 102 3.083 -5.591 -5.139 1.00 0.00 C ATOM 1529 OG1 THR A 102 1.770 -5.432 -4.563 1.00 0.00 O ATOM 1530 CG2 THR A 102 3.908 -4.323 -4.825 1.00 0.00 C ATOM 0 H THR A 102 1.785 -7.537 -6.101 1.00 0.00 H new ATOM 0 HA THR A 102 2.455 -5.046 -7.164 1.00 0.00 H new ATOM 0 HB THR A 102 3.597 -6.449 -4.706 1.00 0.00 H new ATOM 0 HG1 THR A 102 1.372 -6.314 -4.407 1.00 0.00 H new ATOM 0 HG21 THR A 102 3.952 -4.176 -3.746 1.00 0.00 H new ATOM 0 HG22 THR A 102 4.918 -4.440 -5.217 1.00 0.00 H new ATOM 0 HG23 THR A 102 3.436 -3.458 -5.290 1.00 0.00 H new ATOM 1538 N GLU A 103 4.710 -5.004 -8.182 1.00 0.00 N ATOM 1539 CA GLU A 103 5.948 -4.995 -8.995 1.00 0.00 C ATOM 1540 C GLU A 103 7.216 -4.646 -8.169 1.00 0.00 C ATOM 1541 O GLU A 103 7.137 -4.139 -7.042 1.00 0.00 O ATOM 1542 CB GLU A 103 5.804 -4.005 -10.198 1.00 0.00 C ATOM 1543 CG GLU A 103 4.687 -4.340 -11.228 1.00 0.00 C ATOM 1544 CD GLU A 103 3.291 -3.802 -10.845 1.00 0.00 C ATOM 1545 OE1 GLU A 103 2.616 -4.409 -10.003 1.00 0.00 O ATOM 1546 OE2 GLU A 103 2.867 -2.760 -11.382 1.00 0.00 O ATOM 0 H GLU A 103 4.113 -4.194 -8.348 1.00 0.00 H new ATOM 0 HA GLU A 103 6.081 -6.011 -9.367 1.00 0.00 H new ATOM 0 HB2 GLU A 103 5.617 -3.007 -9.801 1.00 0.00 H new ATOM 0 HB3 GLU A 103 6.757 -3.965 -10.726 1.00 0.00 H new ATOM 0 HG2 GLU A 103 4.968 -3.930 -12.198 1.00 0.00 H new ATOM 0 HG3 GLU A 103 4.628 -5.422 -11.344 1.00 0.00 H new ATOM 1553 N LYS A 104 8.390 -4.892 -8.783 1.00 0.00 N ATOM 1554 CA LYS A 104 9.721 -4.689 -8.150 1.00 0.00 C ATOM 1555 C LYS A 104 10.056 -3.195 -7.908 1.00 0.00 C ATOM 1556 O LYS A 104 11.017 -2.880 -7.192 1.00 0.00 O ATOM 1557 CB LYS A 104 10.822 -5.398 -8.988 1.00 0.00 C ATOM 1558 CG LYS A 104 10.576 -6.919 -9.184 1.00 0.00 C ATOM 1559 CD LYS A 104 10.343 -7.662 -7.843 1.00 0.00 C ATOM 1560 CE LYS A 104 9.991 -9.150 -8.020 1.00 0.00 C ATOM 1561 NZ LYS A 104 11.101 -9.922 -8.632 1.00 0.00 N ATOM 0 H LYS A 104 8.449 -5.240 -9.740 1.00 0.00 H new ATOM 0 HA LYS A 104 9.685 -5.144 -7.160 1.00 0.00 H new ATOM 0 HB2 LYS A 104 10.886 -4.920 -9.966 1.00 0.00 H new ATOM 0 HB3 LYS A 104 11.786 -5.255 -8.500 1.00 0.00 H new ATOM 0 HG2 LYS A 104 9.710 -7.063 -9.830 1.00 0.00 H new ATOM 0 HG3 LYS A 104 11.432 -7.359 -9.695 1.00 0.00 H new ATOM 0 HD2 LYS A 104 11.240 -7.579 -7.230 1.00 0.00 H new ATOM 0 HD3 LYS A 104 9.538 -7.169 -7.298 1.00 0.00 H new ATOM 0 HE2 LYS A 104 9.744 -9.581 -7.050 1.00 0.00 H new ATOM 0 HE3 LYS A 104 9.102 -9.239 -8.644 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 10.818 -10.918 -8.731 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 11.321 -9.530 -9.570 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 11.943 -9.860 -8.025 1.00 0.00 H new ATOM 1575 N SER A 105 9.269 -2.292 -8.534 1.00 0.00 N ATOM 1576 CA SER A 105 9.355 -0.827 -8.279 1.00 0.00 C ATOM 1577 C SER A 105 9.131 -0.523 -6.789 1.00 0.00 C ATOM 1578 O SER A 105 9.944 0.153 -6.167 1.00 0.00 O ATOM 1579 CB SER A 105 8.318 -0.051 -9.136 1.00 0.00 C ATOM 1580 OG SER A 105 8.427 1.360 -8.976 1.00 0.00 O ATOM 0 H SER A 105 8.562 -2.549 -9.223 1.00 0.00 H new ATOM 0 HA SER A 105 10.355 -0.499 -8.562 1.00 0.00 H new ATOM 0 HB2 SER A 105 8.456 -0.306 -10.187 1.00 0.00 H new ATOM 0 HB3 SER A 105 7.312 -0.368 -8.860 1.00 0.00 H new ATOM 0 HG SER A 105 7.756 1.805 -9.535 1.00 0.00 H new ATOM 1586 N ALA A 106 8.059 -1.106 -6.216 1.00 0.00 N ATOM 1587 CA ALA A 106 7.688 -0.919 -4.793 1.00 0.00 C ATOM 1588 C ALA A 106 8.838 -1.286 -3.818 1.00 0.00 C ATOM 1589 O ALA A 106 8.989 -0.674 -2.777 1.00 0.00 O ATOM 1590 CB ALA A 106 6.437 -1.745 -4.468 1.00 0.00 C ATOM 0 H ALA A 106 7.424 -1.721 -6.725 1.00 0.00 H new ATOM 0 HA ALA A 106 7.481 0.142 -4.652 1.00 0.00 H new ATOM 0 HB1 ALA A 106 6.169 -1.603 -3.421 1.00 0.00 H new ATOM 0 HB2 ALA A 106 5.611 -1.419 -5.101 1.00 0.00 H new ATOM 0 HB3 ALA A 106 6.640 -2.800 -4.651 1.00 0.00 H new ATOM 1596 N LEU A 107 9.664 -2.268 -4.187 1.00 0.00 N ATOM 1597 CA LEU A 107 10.797 -2.734 -3.343 1.00 0.00 C ATOM 1598 C LEU A 107 11.897 -1.647 -3.176 1.00 0.00 C ATOM 1599 O LEU A 107 12.664 -1.679 -2.211 1.00 0.00 O ATOM 1600 CB LEU A 107 11.405 -4.051 -3.917 1.00 0.00 C ATOM 1601 CG LEU A 107 10.594 -5.368 -3.661 1.00 0.00 C ATOM 1602 CD1 LEU A 107 9.150 -5.307 -4.217 1.00 0.00 C ATOM 1603 CD2 LEU A 107 11.353 -6.596 -4.215 1.00 0.00 C ATOM 0 H LEU A 107 9.578 -2.768 -5.072 1.00 0.00 H new ATOM 0 HA LEU A 107 10.395 -2.935 -2.350 1.00 0.00 H new ATOM 0 HB2 LEU A 107 11.526 -3.929 -4.993 1.00 0.00 H new ATOM 0 HB3 LEU A 107 12.402 -4.178 -3.496 1.00 0.00 H new ATOM 0 HG LEU A 107 10.501 -5.473 -2.580 1.00 0.00 H new ATOM 0 HD11 LEU A 107 8.640 -6.248 -4.009 1.00 0.00 H new ATOM 0 HD12 LEU A 107 8.611 -4.488 -3.740 1.00 0.00 H new ATOM 0 HD13 LEU A 107 9.181 -5.142 -5.294 1.00 0.00 H new ATOM 0 HD21 LEU A 107 10.772 -7.499 -4.026 1.00 0.00 H new ATOM 0 HD22 LEU A 107 11.502 -6.478 -5.288 1.00 0.00 H new ATOM 0 HD23 LEU A 107 12.321 -6.678 -3.721 1.00 0.00 H new ATOM 1615 N ARG A 108 11.953 -0.692 -4.119 1.00 0.00 N ATOM 1616 CA ARG A 108 12.881 0.467 -4.064 1.00 0.00 C ATOM 1617 C ARG A 108 12.272 1.694 -3.315 1.00 0.00 C ATOM 1618 O ARG A 108 12.975 2.681 -3.081 1.00 0.00 O ATOM 1619 CB ARG A 108 13.299 0.856 -5.512 1.00 0.00 C ATOM 1620 CG ARG A 108 14.180 -0.201 -6.222 1.00 0.00 C ATOM 1621 CD ARG A 108 14.477 0.155 -7.696 1.00 0.00 C ATOM 1622 NE ARG A 108 15.565 -0.674 -8.271 1.00 0.00 N ATOM 1623 CZ ARG A 108 15.412 -1.738 -9.037 1.00 0.00 C ATOM 1624 NH1 ARG A 108 14.237 -2.216 -9.312 1.00 0.00 N ATOM 1625 NH2 ARG A 108 16.457 -2.332 -9.521 1.00 0.00 N ATOM 0 H ARG A 108 11.357 -0.695 -4.947 1.00 0.00 H new ATOM 0 HA ARG A 108 13.758 0.166 -3.491 1.00 0.00 H new ATOM 0 HB2 ARG A 108 12.400 1.022 -6.106 1.00 0.00 H new ATOM 0 HB3 ARG A 108 13.840 1.802 -5.481 1.00 0.00 H new ATOM 0 HG2 ARG A 108 15.121 -0.304 -5.682 1.00 0.00 H new ATOM 0 HG3 ARG A 108 13.681 -1.169 -6.181 1.00 0.00 H new ATOM 0 HD2 ARG A 108 13.572 0.023 -8.288 1.00 0.00 H new ATOM 0 HD3 ARG A 108 14.751 1.208 -7.764 1.00 0.00 H new ATOM 0 HE ARG A 108 16.522 -0.395 -8.054 1.00 0.00 H new ATOM 0 HH11 ARG A 108 13.403 -1.768 -8.933 1.00 0.00 H new ATOM 0 HH12 ARG A 108 14.148 -3.040 -9.907 1.00 0.00 H new ATOM 0 HH21 ARG A 108 17.389 -1.977 -9.309 1.00 0.00 H new ATOM 0 HH22 ARG A 108 16.347 -3.155 -10.114 1.00 0.00 H new ATOM 1639 N TYR A 109 10.968 1.635 -2.953 1.00 0.00 N ATOM 1640 CA TYR A 109 10.250 2.762 -2.271 1.00 0.00 C ATOM 1641 C TYR A 109 9.743 2.361 -0.860 1.00 0.00 C ATOM 1642 O TYR A 109 10.085 3.008 0.133 1.00 0.00 O ATOM 1643 CB TYR A 109 9.062 3.261 -3.151 1.00 0.00 C ATOM 1644 CG TYR A 109 9.512 3.899 -4.485 1.00 0.00 C ATOM 1645 CD1 TYR A 109 9.872 3.114 -5.575 1.00 0.00 C ATOM 1646 CD2 TYR A 109 9.605 5.283 -4.638 1.00 0.00 C ATOM 1647 CE1 TYR A 109 10.315 3.669 -6.760 1.00 0.00 C ATOM 1648 CE2 TYR A 109 10.038 5.850 -5.827 1.00 0.00 C ATOM 1649 CZ TYR A 109 10.397 5.036 -6.882 1.00 0.00 C ATOM 1650 OH TYR A 109 10.859 5.593 -8.058 1.00 0.00 O ATOM 0 H TYR A 109 10.381 0.818 -3.119 1.00 0.00 H new ATOM 0 HA TYR A 109 10.967 3.573 -2.142 1.00 0.00 H new ATOM 0 HB2 TYR A 109 8.399 2.422 -3.363 1.00 0.00 H new ATOM 0 HB3 TYR A 109 8.482 3.990 -2.585 1.00 0.00 H new ATOM 0 HD1 TYR A 109 9.803 2.039 -5.493 1.00 0.00 H new ATOM 0 HD2 TYR A 109 9.334 5.926 -3.813 1.00 0.00 H new ATOM 0 HE1 TYR A 109 10.595 3.032 -7.586 1.00 0.00 H new ATOM 0 HE2 TYR A 109 10.094 6.924 -5.927 1.00 0.00 H new ATOM 0 HH TYR A 109 10.854 6.570 -7.981 1.00 0.00 H new ATOM 1660 N VAL A 110 8.912 1.309 -0.790 1.00 0.00 N ATOM 1661 CA VAL A 110 8.286 0.837 0.475 1.00 0.00 C ATOM 1662 C VAL A 110 9.054 -0.366 1.083 1.00 0.00 C ATOM 1663 O VAL A 110 9.013 -0.576 2.296 1.00 0.00 O ATOM 1664 CB VAL A 110 6.772 0.446 0.240 1.00 0.00 C ATOM 1665 CG1 VAL A 110 6.607 -0.731 -0.751 1.00 0.00 C ATOM 1666 CG2 VAL A 110 6.051 0.140 1.568 1.00 0.00 C ATOM 0 H VAL A 110 8.649 0.755 -1.605 1.00 0.00 H new ATOM 0 HA VAL A 110 8.335 1.663 1.185 1.00 0.00 H new ATOM 0 HB VAL A 110 6.302 1.319 -0.213 1.00 0.00 H new ATOM 0 HG11 VAL A 110 5.548 -0.957 -0.875 1.00 0.00 H new ATOM 0 HG12 VAL A 110 7.035 -0.457 -1.715 1.00 0.00 H new ATOM 0 HG13 VAL A 110 7.122 -1.609 -0.362 1.00 0.00 H new ATOM 0 HG21 VAL A 110 5.013 -0.125 1.366 1.00 0.00 H new ATOM 0 HG22 VAL A 110 6.547 -0.692 2.068 1.00 0.00 H new ATOM 0 HG23 VAL A 110 6.083 1.020 2.210 1.00 0.00 H new ATOM 1676 N SER A 111 9.754 -1.120 0.204 1.00 0.00 N ATOM 1677 CA SER A 111 10.455 -2.396 0.519 1.00 0.00 C ATOM 1678 C SER A 111 9.484 -3.589 0.625 1.00 0.00 C ATOM 1679 O SER A 111 8.320 -3.450 1.015 1.00 0.00 O ATOM 1680 CB SER A 111 11.358 -2.318 1.786 1.00 0.00 C ATOM 1681 OG SER A 111 11.997 -3.559 2.072 1.00 0.00 O ATOM 0 H SER A 111 9.852 -0.853 -0.775 1.00 0.00 H new ATOM 0 HA SER A 111 11.115 -2.565 -0.332 1.00 0.00 H new ATOM 0 HB2 SER A 111 12.115 -1.547 1.643 1.00 0.00 H new ATOM 0 HB3 SER A 111 10.754 -2.017 2.642 1.00 0.00 H new ATOM 0 HG SER A 111 12.554 -3.463 2.873 1.00 0.00 H new ATOM 1687 N LEU A 112 10.010 -4.771 0.268 1.00 0.00 N ATOM 1688 CA LEU A 112 9.287 -6.056 0.300 1.00 0.00 C ATOM 1689 C LEU A 112 8.813 -6.449 1.721 1.00 0.00 C ATOM 1690 O LEU A 112 7.721 -6.996 1.869 1.00 0.00 O ATOM 1691 CB LEU A 112 10.197 -7.149 -0.339 1.00 0.00 C ATOM 1692 CG LEU A 112 9.765 -8.663 -0.205 1.00 0.00 C ATOM 1693 CD1 LEU A 112 10.159 -9.485 -1.454 1.00 0.00 C ATOM 1694 CD2 LEU A 112 10.359 -9.325 1.074 1.00 0.00 C ATOM 0 H LEU A 112 10.972 -4.864 -0.059 1.00 0.00 H new ATOM 0 HA LEU A 112 8.370 -5.956 -0.281 1.00 0.00 H new ATOM 0 HB2 LEU A 112 10.290 -6.924 -1.401 1.00 0.00 H new ATOM 0 HB3 LEU A 112 11.191 -7.048 0.096 1.00 0.00 H new ATOM 0 HG LEU A 112 8.678 -8.665 -0.120 1.00 0.00 H new ATOM 0 HD11 LEU A 112 9.845 -10.520 -1.322 1.00 0.00 H new ATOM 0 HD12 LEU A 112 9.670 -9.067 -2.334 1.00 0.00 H new ATOM 0 HD13 LEU A 112 11.240 -9.448 -1.587 1.00 0.00 H new ATOM 0 HD21 LEU A 112 10.038 -10.365 1.128 1.00 0.00 H new ATOM 0 HD22 LEU A 112 11.447 -9.283 1.033 1.00 0.00 H new ATOM 0 HD23 LEU A 112 10.008 -8.791 1.957 1.00 0.00 H new ATOM 1706 N ALA A 113 9.626 -6.156 2.753 1.00 0.00 N ATOM 1707 CA ALA A 113 9.349 -6.600 4.147 1.00 0.00 C ATOM 1708 C ALA A 113 8.020 -6.024 4.694 1.00 0.00 C ATOM 1709 O ALA A 113 7.309 -6.686 5.453 1.00 0.00 O ATOM 1710 CB ALA A 113 10.519 -6.223 5.066 1.00 0.00 C ATOM 0 H ALA A 113 10.484 -5.613 2.655 1.00 0.00 H new ATOM 0 HA ALA A 113 9.242 -7.685 4.128 1.00 0.00 H new ATOM 0 HB1 ALA A 113 10.304 -6.553 6.082 1.00 0.00 H new ATOM 0 HB2 ALA A 113 11.430 -6.706 4.712 1.00 0.00 H new ATOM 0 HB3 ALA A 113 10.655 -5.142 5.057 1.00 0.00 H new ATOM 1716 N ASP A 114 7.709 -4.789 4.283 1.00 0.00 N ATOM 1717 CA ASP A 114 6.453 -4.092 4.630 1.00 0.00 C ATOM 1718 C ASP A 114 5.232 -4.729 3.912 1.00 0.00 C ATOM 1719 O ASP A 114 4.136 -4.808 4.479 1.00 0.00 O ATOM 1720 CB ASP A 114 6.590 -2.597 4.259 1.00 0.00 C ATOM 1721 CG ASP A 114 7.765 -1.916 4.997 1.00 0.00 C ATOM 1722 OD1 ASP A 114 8.944 -2.252 4.709 1.00 0.00 O ATOM 1723 OD2 ASP A 114 7.528 -1.065 5.878 1.00 0.00 O ATOM 0 H ASP A 114 8.327 -4.233 3.692 1.00 0.00 H new ATOM 0 HA ASP A 114 6.279 -4.189 5.702 1.00 0.00 H new ATOM 0 HB2 ASP A 114 6.736 -2.504 3.183 1.00 0.00 H new ATOM 0 HB3 ASP A 114 5.662 -2.078 4.501 1.00 0.00 H new ATOM 1728 N LEU A 115 5.467 -5.221 2.679 1.00 0.00 N ATOM 1729 CA LEU A 115 4.425 -5.860 1.836 1.00 0.00 C ATOM 1730 C LEU A 115 3.999 -7.224 2.442 1.00 0.00 C ATOM 1731 O LEU A 115 2.812 -7.528 2.597 1.00 0.00 O ATOM 1732 CB LEU A 115 4.976 -6.079 0.397 1.00 0.00 C ATOM 1733 CG LEU A 115 5.522 -4.823 -0.350 1.00 0.00 C ATOM 1734 CD1 LEU A 115 6.213 -5.200 -1.672 1.00 0.00 C ATOM 1735 CD2 LEU A 115 4.418 -3.802 -0.617 1.00 0.00 C ATOM 0 H LEU A 115 6.385 -5.189 2.235 1.00 0.00 H new ATOM 0 HA LEU A 115 3.555 -5.204 1.799 1.00 0.00 H new ATOM 0 HB2 LEU A 115 5.777 -6.817 0.449 1.00 0.00 H new ATOM 0 HB3 LEU A 115 4.180 -6.514 -0.208 1.00 0.00 H new ATOM 0 HG LEU A 115 6.263 -4.370 0.309 1.00 0.00 H new ATOM 0 HD11 LEU A 115 6.579 -4.298 -2.161 1.00 0.00 H new ATOM 0 HD12 LEU A 115 7.050 -5.867 -1.468 1.00 0.00 H new ATOM 0 HD13 LEU A 115 5.500 -5.703 -2.325 1.00 0.00 H new ATOM 0 HD21 LEU A 115 4.837 -2.941 -1.139 1.00 0.00 H new ATOM 0 HD22 LEU A 115 3.642 -4.257 -1.233 1.00 0.00 H new ATOM 0 HD23 LEU A 115 3.986 -3.477 0.330 1.00 0.00 H new ATOM 1747 N GLN A 116 5.022 -8.017 2.788 1.00 0.00 N ATOM 1748 CA GLN A 116 4.885 -9.400 3.300 1.00 0.00 C ATOM 1749 C GLN A 116 4.291 -9.429 4.723 1.00 0.00 C ATOM 1750 O GLN A 116 3.486 -10.300 5.054 1.00 0.00 O ATOM 1751 CB GLN A 116 6.288 -10.053 3.290 1.00 0.00 C ATOM 1752 CG GLN A 116 6.972 -10.082 1.899 1.00 0.00 C ATOM 1753 CD GLN A 116 6.820 -11.386 1.106 1.00 0.00 C ATOM 1754 OE1 GLN A 116 6.663 -12.464 1.661 1.00 0.00 O ATOM 1755 NE2 GLN A 116 6.899 -11.300 -0.211 1.00 0.00 N ATOM 0 H GLN A 116 5.994 -7.714 2.720 1.00 0.00 H new ATOM 0 HA GLN A 116 4.197 -9.953 2.660 1.00 0.00 H new ATOM 0 HB2 GLN A 116 6.931 -9.514 3.986 1.00 0.00 H new ATOM 0 HB3 GLN A 116 6.202 -11.075 3.660 1.00 0.00 H new ATOM 0 HG2 GLN A 116 6.568 -9.266 1.300 1.00 0.00 H new ATOM 0 HG3 GLN A 116 8.035 -9.883 2.034 1.00 0.00 H new ATOM 0 HE21 GLN A 116 7.030 -10.392 -0.656 1.00 0.00 H new ATOM 0 HE22 GLN A 116 6.829 -12.142 -0.782 1.00 0.00 H new ATOM 1764 N ALA A 117 4.699 -8.446 5.547 1.00 0.00 N ATOM 1765 CA ALA A 117 4.210 -8.283 6.945 1.00 0.00 C ATOM 1766 C ALA A 117 2.661 -8.124 7.059 1.00 0.00 C ATOM 1767 O ALA A 117 2.100 -8.278 8.149 1.00 0.00 O ATOM 1768 CB ALA A 117 4.922 -7.097 7.606 1.00 0.00 C ATOM 0 H ALA A 117 5.378 -7.737 5.270 1.00 0.00 H new ATOM 0 HA ALA A 117 4.451 -9.208 7.469 1.00 0.00 H new ATOM 0 HB1 ALA A 117 4.562 -6.980 8.628 1.00 0.00 H new ATOM 0 HB2 ALA A 117 5.997 -7.279 7.618 1.00 0.00 H new ATOM 0 HB3 ALA A 117 4.714 -6.188 7.042 1.00 0.00 H new ATOM 1774 N HIS A 118 1.984 -7.804 5.937 1.00 0.00 N ATOM 1775 CA HIS A 118 0.499 -7.761 5.861 1.00 0.00 C ATOM 1776 C HIS A 118 -0.031 -8.516 4.610 1.00 0.00 C ATOM 1777 O HIS A 118 -1.011 -8.098 3.986 1.00 0.00 O ATOM 1778 CB HIS A 118 -0.012 -6.278 5.927 1.00 0.00 C ATOM 1779 CG HIS A 118 -0.418 -5.857 7.321 1.00 0.00 C ATOM 1780 ND1 HIS A 118 0.458 -5.337 8.252 1.00 0.00 N ATOM 1781 CD2 HIS A 118 -1.621 -5.913 7.943 1.00 0.00 C ATOM 1782 CE1 HIS A 118 -0.186 -5.105 9.379 1.00 0.00 C ATOM 1783 NE2 HIS A 118 -1.444 -5.443 9.217 1.00 0.00 N ATOM 0 H HIS A 118 2.444 -7.568 5.058 1.00 0.00 H new ATOM 0 HA HIS A 118 0.095 -8.284 6.728 1.00 0.00 H new ATOM 0 HB2 HIS A 118 0.772 -5.612 5.566 1.00 0.00 H new ATOM 0 HB3 HIS A 118 -0.863 -6.162 5.256 1.00 0.00 H new ATOM 0 HD2 HIS A 118 -2.548 -6.263 7.513 1.00 0.00 H new ATOM 0 HE1 HIS A 118 0.248 -4.704 10.283 1.00 0.00 H new ATOM 0 HE2 HIS A 118 -2.173 -5.368 9.926 1.00 0.00 H new ATOM 1792 N ALA A 119 0.607 -9.660 4.289 1.00 0.00 N ATOM 1793 CA ALA A 119 0.110 -10.605 3.260 1.00 0.00 C ATOM 1794 C ALA A 119 0.594 -12.052 3.543 1.00 0.00 C ATOM 1795 O ALA A 119 -0.220 -12.950 3.782 1.00 0.00 O ATOM 1796 CB ALA A 119 0.541 -10.148 1.866 1.00 0.00 C ATOM 0 H ALA A 119 1.477 -9.957 4.731 1.00 0.00 H new ATOM 0 HA ALA A 119 -0.979 -10.609 3.302 1.00 0.00 H new ATOM 0 HB1 ALA A 119 0.169 -10.852 1.121 1.00 0.00 H new ATOM 0 HB2 ALA A 119 0.133 -9.157 1.665 1.00 0.00 H new ATOM 0 HB3 ALA A 119 1.629 -10.109 1.816 1.00 0.00 H new