USER MOD reduce.3.24.130724 H: found=0, std=0, add=444, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 446 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 81 CYS SG : rot 180:sc= 0.0911 USER MOD Set 1.2: A 83 SER OG : rot 21:sc= 0.28 USER MOD Set 2.1: A 42 CYS SG : rot 176:sc= 0 USER MOD Set 2.2: A 101 SER OG : rot 180:sc= 0 USER MOD Set 3.1: A 40 THR OG1 : rot 41:sc= 0.567 USER MOD Set 3.2: A 105 SER OG : rot 63:sc= 0.499 USER MOD Single : A 45 MET CE :methyl 165:sc= -0.633 (180deg=-1.24) USER MOD Single : A 46 THR OG1 : rot -104:sc= 1.27 USER MOD Single : A 53 SER OG : rot 61:sc= 0.0204 USER MOD Single : A 79 CYS SG : rot -35:sc= 0.0182 USER MOD Single : A 86 GLN : amide:sc= -1.84! C(o=-1.8!,f=-7.6!) USER MOD Single : A 93 MET CE :methyl 165:sc= -1.28 (180deg=-1.8) USER MOD Single : A 100 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 102 THR OG1 : rot 150:sc= -1.43! USER MOD Single : A 104 LYS NZ :NH3+ -170:sc=-0.00167 (180deg=-0.0964) 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= -0.019 X(o=-0.019,f=-0.24) USER MOD Single : A 118 HIS : no HD1:sc= -0.0266 X(o=-0.027,f=-0.42) USER MOD ----------------------------------------------------------------- ATOM 567 N THR A 40 7.069 0.473 -11.146 1.00 0.00 N ATOM 568 CA THR A 40 5.882 -0.421 -11.182 1.00 0.00 C ATOM 569 C THR A 40 5.444 -0.877 -9.753 1.00 0.00 C ATOM 570 O THR A 40 6.152 -1.637 -9.075 1.00 0.00 O ATOM 571 CB THR A 40 6.179 -1.688 -12.068 1.00 0.00 C ATOM 572 OG1 THR A 40 7.116 -2.545 -11.415 1.00 0.00 O ATOM 573 CG2 THR A 40 6.767 -1.330 -13.437 1.00 0.00 C ATOM 0 HA THR A 40 5.064 0.152 -11.617 1.00 0.00 H new ATOM 0 HB THR A 40 5.218 -2.183 -12.211 1.00 0.00 H new ATOM 0 HG1 THR A 40 6.901 -2.598 -10.460 1.00 0.00 H new ATOM 0 HG21 THR A 40 6.951 -2.243 -14.004 1.00 0.00 H new ATOM 0 HG22 THR A 40 6.064 -0.700 -13.982 1.00 0.00 H new ATOM 0 HG23 THR A 40 7.705 -0.792 -13.301 1.00 0.00 H new ATOM 581 N VAL A 41 4.279 -0.375 -9.280 1.00 0.00 N ATOM 582 CA VAL A 41 3.673 -0.796 -7.986 1.00 0.00 C ATOM 583 C VAL A 41 2.169 -1.130 -8.180 1.00 0.00 C ATOM 584 O VAL A 41 1.445 -0.397 -8.868 1.00 0.00 O ATOM 585 CB VAL A 41 3.802 0.303 -6.852 1.00 0.00 C ATOM 586 CG1 VAL A 41 3.347 -0.276 -5.481 1.00 0.00 C ATOM 587 CG2 VAL A 41 5.232 0.898 -6.750 1.00 0.00 C ATOM 0 H VAL A 41 3.733 0.328 -9.777 1.00 0.00 H new ATOM 0 HA VAL A 41 4.229 -1.677 -7.664 1.00 0.00 H new ATOM 0 HB VAL A 41 3.142 1.125 -7.130 1.00 0.00 H new ATOM 0 HG11 VAL A 41 3.442 0.491 -4.713 1.00 0.00 H new ATOM 0 HG12 VAL A 41 2.307 -0.596 -5.548 1.00 0.00 H new ATOM 0 HG13 VAL A 41 3.973 -1.129 -5.221 1.00 0.00 H new ATOM 0 HG21 VAL A 41 5.260 1.645 -5.957 1.00 0.00 H new ATOM 0 HG22 VAL A 41 5.942 0.102 -6.524 1.00 0.00 H new ATOM 0 HG23 VAL A 41 5.500 1.365 -7.698 1.00 0.00 H new ATOM 597 N CYS A 42 1.709 -2.235 -7.562 1.00 0.00 N ATOM 598 CA CYS A 42 0.281 -2.633 -7.540 1.00 0.00 C ATOM 599 C CYS A 42 -0.153 -2.969 -6.096 1.00 0.00 C ATOM 600 O CYS A 42 0.270 -3.975 -5.527 1.00 0.00 O ATOM 601 CB CYS A 42 0.041 -3.838 -8.477 1.00 0.00 C ATOM 602 SG CYS A 42 0.424 -3.507 -10.214 1.00 0.00 S ATOM 0 H CYS A 42 2.317 -2.882 -7.061 1.00 0.00 H new ATOM 0 HA CYS A 42 -0.322 -1.799 -7.899 1.00 0.00 H new ATOM 0 HB2 CYS A 42 0.647 -4.677 -8.135 1.00 0.00 H new ATOM 0 HB3 CYS A 42 -1.002 -4.145 -8.398 1.00 0.00 H new ATOM 0 HG CYS A 42 0.270 -4.596 -10.907 1.00 0.00 H new ATOM 608 N ALA A 43 -1.013 -2.128 -5.518 1.00 0.00 N ATOM 609 CA ALA A 43 -1.411 -2.207 -4.102 1.00 0.00 C ATOM 610 C ALA A 43 -2.897 -1.887 -3.971 1.00 0.00 C ATOM 611 O ALA A 43 -3.452 -1.160 -4.809 1.00 0.00 O ATOM 612 CB ALA A 43 -0.560 -1.245 -3.258 1.00 0.00 C ATOM 0 H ALA A 43 -1.461 -1.362 -6.022 1.00 0.00 H new ATOM 0 HA ALA A 43 -1.240 -3.218 -3.731 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -0.863 -1.312 -2.213 1.00 0.00 H new ATOM 0 HB2 ALA A 43 0.492 -1.515 -3.349 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -0.705 -0.225 -3.613 1.00 0.00 H new ATOM 618 N GLU A 44 -3.563 -2.434 -2.948 1.00 0.00 N ATOM 619 CA GLU A 44 -5.012 -2.253 -2.785 1.00 0.00 C ATOM 620 C GLU A 44 -5.350 -1.563 -1.458 1.00 0.00 C ATOM 621 O GLU A 44 -5.210 -2.161 -0.393 1.00 0.00 O ATOM 622 CB GLU A 44 -5.723 -3.617 -2.866 1.00 0.00 C ATOM 623 CG GLU A 44 -7.206 -3.527 -3.184 1.00 0.00 C ATOM 624 CD GLU A 44 -7.886 -4.904 -3.234 1.00 0.00 C ATOM 625 OE1 GLU A 44 -7.613 -5.667 -4.182 1.00 0.00 O ATOM 626 OE2 GLU A 44 -8.686 -5.226 -2.325 1.00 0.00 O ATOM 0 H GLU A 44 -3.126 -3.003 -2.223 1.00 0.00 H new ATOM 0 HA GLU A 44 -5.362 -1.610 -3.593 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -5.235 -4.224 -3.629 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -5.597 -4.137 -1.916 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -7.698 -2.910 -2.432 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -7.338 -3.026 -4.143 1.00 0.00 H new ATOM 633 N MET A 45 -5.780 -0.297 -1.530 1.00 0.00 N ATOM 634 CA MET A 45 -6.328 0.427 -0.381 1.00 0.00 C ATOM 635 C MET A 45 -7.859 0.291 -0.348 1.00 0.00 C ATOM 636 O MET A 45 -8.520 0.533 -1.354 1.00 0.00 O ATOM 637 CB MET A 45 -5.914 1.910 -0.450 1.00 0.00 C ATOM 638 CG MET A 45 -4.396 2.129 -0.520 1.00 0.00 C ATOM 639 SD MET A 45 -3.938 3.843 -0.239 1.00 0.00 S ATOM 640 CE MET A 45 -4.531 4.083 1.434 1.00 0.00 C ATOM 0 H MET A 45 -5.757 0.253 -2.389 1.00 0.00 H new ATOM 0 HA MET A 45 -5.927 -0.004 0.536 1.00 0.00 H new ATOM 0 HB2 MET A 45 -6.378 2.366 -1.324 1.00 0.00 H new ATOM 0 HB3 MET A 45 -6.306 2.428 0.425 1.00 0.00 H new ATOM 0 HG2 MET A 45 -3.906 1.498 0.222 1.00 0.00 H new ATOM 0 HG3 MET A 45 -4.031 1.814 -1.497 1.00 0.00 H new ATOM 0 HE1 MET A 45 -4.095 4.992 1.848 1.00 0.00 H new ATOM 0 HE2 MET A 45 -5.617 4.173 1.426 1.00 0.00 H new ATOM 0 HE3 MET A 45 -4.243 3.230 2.048 1.00 0.00 H new ATOM 650 N THR A 46 -8.401 -0.088 0.820 1.00 0.00 N ATOM 651 CA THR A 46 -9.863 -0.241 1.036 1.00 0.00 C ATOM 652 C THR A 46 -10.481 1.126 1.358 1.00 0.00 C ATOM 653 O THR A 46 -9.748 2.053 1.659 1.00 0.00 O ATOM 654 CB THR A 46 -10.165 -1.202 2.232 1.00 0.00 C ATOM 655 OG1 THR A 46 -9.758 -0.592 3.471 1.00 0.00 O ATOM 656 CG2 THR A 46 -9.453 -2.559 2.076 1.00 0.00 C ATOM 0 H THR A 46 -7.844 -0.299 1.648 1.00 0.00 H new ATOM 0 HA THR A 46 -10.290 -0.658 0.124 1.00 0.00 H new ATOM 0 HB THR A 46 -11.240 -1.382 2.238 1.00 0.00 H new ATOM 0 HG1 THR A 46 -8.923 -1.002 3.779 1.00 0.00 H new ATOM 0 HG21 THR A 46 -9.691 -3.195 2.929 1.00 0.00 H new ATOM 0 HG22 THR A 46 -9.788 -3.042 1.158 1.00 0.00 H new ATOM 0 HG23 THR A 46 -8.375 -2.401 2.030 1.00 0.00 H new ATOM 664 N GLU A 47 -11.822 1.243 1.339 1.00 0.00 N ATOM 665 CA GLU A 47 -12.500 2.524 1.653 1.00 0.00 C ATOM 666 C GLU A 47 -12.211 2.956 3.103 1.00 0.00 C ATOM 667 O GLU A 47 -12.025 4.131 3.376 1.00 0.00 O ATOM 668 CB GLU A 47 -14.031 2.429 1.428 1.00 0.00 C ATOM 669 CG GLU A 47 -14.769 3.780 1.606 1.00 0.00 C ATOM 670 CD GLU A 47 -16.301 3.659 1.537 1.00 0.00 C ATOM 671 OE1 GLU A 47 -16.901 3.101 2.481 1.00 0.00 O ATOM 672 OE2 GLU A 47 -16.914 4.134 0.558 1.00 0.00 O ATOM 0 H GLU A 47 -12.456 0.477 1.112 1.00 0.00 H new ATOM 0 HA GLU A 47 -12.101 3.275 0.972 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -14.219 2.051 0.423 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -14.448 1.702 2.125 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -14.490 4.213 2.567 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -14.433 4.473 0.835 1.00 0.00 H new ATOM 679 N GLU A 48 -12.147 1.969 4.004 1.00 0.00 N ATOM 680 CA GLU A 48 -11.811 2.169 5.418 1.00 0.00 C ATOM 681 C GLU A 48 -10.461 2.922 5.583 1.00 0.00 C ATOM 682 O GLU A 48 -10.393 3.984 6.214 1.00 0.00 O ATOM 683 CB GLU A 48 -11.751 0.776 6.097 1.00 0.00 C ATOM 684 CG GLU A 48 -11.413 0.783 7.591 1.00 0.00 C ATOM 685 CD GLU A 48 -12.517 1.391 8.482 1.00 0.00 C ATOM 686 OE1 GLU A 48 -13.435 0.647 8.896 1.00 0.00 O ATOM 687 OE2 GLU A 48 -12.487 2.612 8.762 1.00 0.00 O ATOM 0 H GLU A 48 -12.330 0.994 3.767 1.00 0.00 H new ATOM 0 HA GLU A 48 -12.574 2.788 5.890 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -12.715 0.284 5.963 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -11.009 0.170 5.578 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -11.222 -0.240 7.914 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -10.490 1.343 7.741 1.00 0.00 H new ATOM 694 N PHE A 49 -9.409 2.360 4.971 1.00 0.00 N ATOM 695 CA PHE A 49 -8.028 2.885 5.071 1.00 0.00 C ATOM 696 C PHE A 49 -7.787 4.118 4.163 1.00 0.00 C ATOM 697 O PHE A 49 -6.962 4.971 4.492 1.00 0.00 O ATOM 698 CB PHE A 49 -7.012 1.753 4.771 1.00 0.00 C ATOM 699 CG PHE A 49 -7.186 0.526 5.671 1.00 0.00 C ATOM 700 CD1 PHE A 49 -7.276 0.661 7.055 1.00 0.00 C ATOM 701 CD2 PHE A 49 -7.267 -0.757 5.138 1.00 0.00 C ATOM 702 CE1 PHE A 49 -7.436 -0.446 7.871 1.00 0.00 C ATOM 703 CE2 PHE A 49 -7.428 -1.862 5.948 1.00 0.00 C ATOM 704 CZ PHE A 49 -7.513 -1.708 7.315 1.00 0.00 C ATOM 0 H PHE A 49 -9.486 1.526 4.389 1.00 0.00 H new ATOM 0 HA PHE A 49 -7.881 3.234 6.093 1.00 0.00 H new ATOM 0 HB2 PHE A 49 -7.116 1.448 3.730 1.00 0.00 H new ATOM 0 HB3 PHE A 49 -6.001 2.141 4.890 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -7.220 1.644 7.498 1.00 0.00 H new ATOM 0 HD2 PHE A 49 -7.202 -0.890 4.068 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -7.501 -0.323 8.942 1.00 0.00 H new ATOM 0 HE2 PHE A 49 -7.487 -2.848 5.511 1.00 0.00 H new ATOM 0 HZ PHE A 49 -7.640 -2.572 7.950 1.00 0.00 H new ATOM 714 N LEU A 50 -8.504 4.199 3.019 1.00 0.00 N ATOM 715 CA LEU A 50 -8.350 5.284 2.042 1.00 0.00 C ATOM 716 C LEU A 50 -9.016 6.579 2.570 1.00 0.00 C ATOM 717 O LEU A 50 -8.491 7.686 2.392 1.00 0.00 O ATOM 718 CB LEU A 50 -8.973 4.829 0.695 1.00 0.00 C ATOM 719 CG LEU A 50 -8.674 5.712 -0.540 1.00 0.00 C ATOM 720 CD1 LEU A 50 -7.160 5.765 -0.840 1.00 0.00 C ATOM 721 CD2 LEU A 50 -9.477 5.236 -1.776 1.00 0.00 C ATOM 0 H LEU A 50 -9.206 3.508 2.753 1.00 0.00 H new ATOM 0 HA LEU A 50 -7.294 5.505 1.886 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -8.625 3.818 0.483 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -10.054 4.774 0.821 1.00 0.00 H new ATOM 0 HG LEU A 50 -8.997 6.727 -0.307 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -6.984 6.393 -1.713 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -6.633 6.181 0.019 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -6.793 4.758 -1.038 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -9.246 5.875 -2.628 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -9.207 4.207 -2.011 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -10.544 5.291 -1.560 1.00 0.00 H new ATOM 733 N LEU A 51 -10.183 6.407 3.231 1.00 0.00 N ATOM 734 CA LEU A 51 -10.852 7.476 4.004 1.00 0.00 C ATOM 735 C LEU A 51 -9.967 7.934 5.186 1.00 0.00 C ATOM 736 O LEU A 51 -9.765 9.124 5.360 1.00 0.00 O ATOM 737 CB LEU A 51 -12.251 7.006 4.533 1.00 0.00 C ATOM 738 CG LEU A 51 -13.435 7.028 3.512 1.00 0.00 C ATOM 739 CD1 LEU A 51 -14.735 6.482 4.156 1.00 0.00 C ATOM 740 CD2 LEU A 51 -13.650 8.450 2.948 1.00 0.00 C ATOM 0 H LEU A 51 -10.688 5.521 3.243 1.00 0.00 H new ATOM 0 HA LEU A 51 -11.006 8.320 3.331 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -12.147 5.989 4.911 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -12.522 7.635 5.381 1.00 0.00 H new ATOM 0 HG LEU A 51 -13.174 6.373 2.681 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -15.542 6.508 3.424 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -14.575 5.455 4.483 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -15.003 7.099 5.014 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -14.479 8.439 2.240 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -13.879 9.135 3.765 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -12.744 8.781 2.441 1.00 0.00 H new ATOM 752 N PHE A 52 -9.421 6.964 5.966 1.00 0.00 N ATOM 753 CA PHE A 52 -8.653 7.265 7.209 1.00 0.00 C ATOM 754 C PHE A 52 -7.336 8.039 6.926 1.00 0.00 C ATOM 755 O PHE A 52 -6.995 8.977 7.667 1.00 0.00 O ATOM 756 CB PHE A 52 -8.343 5.975 8.013 1.00 0.00 C ATOM 757 CG PHE A 52 -7.692 6.258 9.373 1.00 0.00 C ATOM 758 CD1 PHE A 52 -8.455 6.728 10.446 1.00 0.00 C ATOM 759 CD2 PHE A 52 -6.322 6.081 9.575 1.00 0.00 C ATOM 760 CE1 PHE A 52 -7.866 7.015 11.665 1.00 0.00 C ATOM 761 CE2 PHE A 52 -5.738 6.366 10.796 1.00 0.00 C ATOM 762 CZ PHE A 52 -6.509 6.828 11.841 1.00 0.00 C ATOM 0 H PHE A 52 -9.497 5.968 5.759 1.00 0.00 H new ATOM 0 HA PHE A 52 -9.295 7.910 7.808 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -9.268 5.419 8.168 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -7.682 5.337 7.426 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -9.519 6.869 10.322 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -5.708 5.716 8.765 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -8.469 7.386 12.481 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -4.676 6.226 10.931 1.00 0.00 H new ATOM 0 HZ PHE A 52 -6.053 7.043 12.796 1.00 0.00 H new ATOM 772 N SER A 53 -6.613 7.627 5.863 1.00 0.00 N ATOM 773 CA SER A 53 -5.353 8.294 5.422 1.00 0.00 C ATOM 774 C SER A 53 -5.596 9.794 5.142 1.00 0.00 C ATOM 775 O SER A 53 -4.767 10.652 5.472 1.00 0.00 O ATOM 776 CB SER A 53 -4.785 7.594 4.160 1.00 0.00 C ATOM 777 OG SER A 53 -3.590 8.209 3.694 1.00 0.00 O ATOM 0 H SER A 53 -6.877 6.829 5.285 1.00 0.00 H new ATOM 0 HA SER A 53 -4.622 8.211 6.226 1.00 0.00 H new ATOM 0 HB2 SER A 53 -4.588 6.546 4.386 1.00 0.00 H new ATOM 0 HB3 SER A 53 -5.534 7.614 3.368 1.00 0.00 H new ATOM 0 HG SER A 53 -2.900 8.151 4.388 1.00 0.00 H new ATOM 1109 N ALA A 74 -11.062 2.206 -4.093 1.00 0.00 N ATOM 1110 CA ALA A 74 -11.234 1.421 -2.842 1.00 0.00 C ATOM 1111 C ALA A 74 -11.573 -0.075 -3.104 1.00 0.00 C ATOM 1112 O ALA A 74 -12.627 -0.403 -3.657 1.00 0.00 O ATOM 1113 CB ALA A 74 -12.259 2.091 -1.915 1.00 0.00 C ATOM 0 HA ALA A 74 -10.270 1.417 -2.333 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -12.369 1.499 -1.006 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -11.916 3.093 -1.657 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -13.221 2.157 -2.423 1.00 0.00 H new ATOM 1119 N GLY A 75 -10.674 -0.978 -2.664 1.00 0.00 N ATOM 1120 CA GLY A 75 -10.732 -2.393 -3.054 1.00 0.00 C ATOM 1121 C GLY A 75 -10.430 -2.581 -4.546 1.00 0.00 C ATOM 1122 O GLY A 75 -11.079 -3.374 -5.239 1.00 0.00 O ATOM 0 H GLY A 75 -9.901 -0.749 -2.039 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -10.016 -2.963 -2.463 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -11.721 -2.793 -2.829 1.00 0.00 H new ATOM 1126 N ASP A 76 -9.429 -1.818 -5.027 1.00 0.00 N ATOM 1127 CA ASP A 76 -9.055 -1.746 -6.448 1.00 0.00 C ATOM 1128 C ASP A 76 -7.497 -1.748 -6.565 1.00 0.00 C ATOM 1129 O ASP A 76 -6.858 -0.706 -6.358 1.00 0.00 O ATOM 1130 CB ASP A 76 -9.687 -0.444 -7.021 1.00 0.00 C ATOM 1131 CG ASP A 76 -9.744 -0.389 -8.548 1.00 0.00 C ATOM 1132 OD1 ASP A 76 -10.766 -0.815 -9.134 1.00 0.00 O ATOM 1133 OD2 ASP A 76 -8.797 0.128 -9.173 1.00 0.00 O ATOM 0 H ASP A 76 -8.851 -1.227 -4.429 1.00 0.00 H new ATOM 0 HA ASP A 76 -9.421 -2.601 -7.017 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -10.698 -0.342 -6.628 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -9.117 0.412 -6.660 1.00 0.00 H new ATOM 1138 N ARG A 77 -6.886 -2.933 -6.829 1.00 0.00 N ATOM 1139 CA ARG A 77 -5.399 -3.083 -6.851 1.00 0.00 C ATOM 1140 C ARG A 77 -4.788 -2.805 -8.254 1.00 0.00 C ATOM 1141 O ARG A 77 -4.487 -3.726 -9.028 1.00 0.00 O ATOM 1142 CB ARG A 77 -5.004 -4.507 -6.343 1.00 0.00 C ATOM 1143 CG ARG A 77 -5.653 -5.699 -7.102 1.00 0.00 C ATOM 1144 CD ARG A 77 -5.173 -7.064 -6.578 1.00 0.00 C ATOM 1145 NE ARG A 77 -5.586 -8.173 -7.453 1.00 0.00 N ATOM 1146 CZ ARG A 77 -4.838 -8.754 -8.373 1.00 0.00 C ATOM 1147 NH1 ARG A 77 -3.633 -8.343 -8.640 1.00 0.00 N ATOM 1148 NH2 ARG A 77 -5.327 -9.741 -9.042 1.00 0.00 N ATOM 0 H ARG A 77 -7.393 -3.795 -7.029 1.00 0.00 H new ATOM 0 HA ARG A 77 -4.983 -2.330 -6.181 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -3.920 -4.607 -6.406 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -5.271 -4.583 -5.289 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -6.737 -5.638 -7.008 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -5.420 -5.619 -8.164 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -4.086 -7.057 -6.492 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -5.571 -7.227 -5.576 1.00 0.00 H new ATOM 0 HE ARG A 77 -6.537 -8.525 -7.338 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -3.240 -7.550 -8.132 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -3.081 -8.814 -9.357 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -6.278 -10.061 -8.857 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -4.764 -10.202 -9.757 1.00 0.00 H new ATOM 1162 N TRP A 78 -4.523 -1.521 -8.543 1.00 0.00 N ATOM 1163 CA TRP A 78 -4.062 -1.058 -9.883 1.00 0.00 C ATOM 1164 C TRP A 78 -3.365 0.317 -9.760 1.00 0.00 C ATOM 1165 O TRP A 78 -3.971 1.262 -9.281 1.00 0.00 O ATOM 1166 CB TRP A 78 -5.259 -0.950 -10.899 1.00 0.00 C ATOM 1167 CG TRP A 78 -5.737 -2.275 -11.480 1.00 0.00 C ATOM 1168 CD1 TRP A 78 -5.181 -2.958 -12.529 1.00 0.00 C ATOM 1169 CD2 TRP A 78 -6.854 -3.080 -11.039 1.00 0.00 C ATOM 1170 NE1 TRP A 78 -5.870 -4.123 -12.753 1.00 0.00 N ATOM 1171 CE2 TRP A 78 -6.897 -4.219 -11.853 1.00 0.00 C ATOM 1172 CE3 TRP A 78 -7.809 -2.946 -10.030 1.00 0.00 C ATOM 1173 CZ2 TRP A 78 -7.853 -5.217 -11.692 1.00 0.00 C ATOM 1174 CZ3 TRP A 78 -8.761 -3.935 -9.867 1.00 0.00 C ATOM 1175 CH2 TRP A 78 -8.775 -5.061 -10.696 1.00 0.00 C ATOM 0 H TRP A 78 -4.619 -0.767 -7.862 1.00 0.00 H new ATOM 0 HA TRP A 78 -3.356 -1.796 -10.263 1.00 0.00 H new ATOM 0 HB2 TRP A 78 -6.098 -0.467 -10.398 1.00 0.00 H new ATOM 0 HB3 TRP A 78 -4.960 -0.298 -11.720 1.00 0.00 H new ATOM 0 HD1 TRP A 78 -4.324 -2.627 -13.097 1.00 0.00 H new ATOM 0 HE1 TRP A 78 -5.652 -4.809 -13.476 1.00 0.00 H new ATOM 0 HE3 TRP A 78 -7.804 -2.080 -9.384 1.00 0.00 H new ATOM 0 HZ2 TRP A 78 -7.866 -6.086 -12.333 1.00 0.00 H new ATOM 0 HZ3 TRP A 78 -9.504 -3.837 -9.089 1.00 0.00 H new ATOM 0 HH2 TRP A 78 -9.528 -5.821 -10.546 1.00 0.00 H new ATOM 1186 N CYS A 79 -2.076 0.401 -10.161 1.00 0.00 N ATOM 1187 CA CYS A 79 -1.323 1.690 -10.294 1.00 0.00 C ATOM 1188 C CYS A 79 -1.153 2.479 -8.953 1.00 0.00 C ATOM 1189 O CYS A 79 -0.695 3.630 -8.961 1.00 0.00 O ATOM 1190 CB CYS A 79 -1.998 2.591 -11.373 1.00 0.00 C ATOM 1191 SG CYS A 79 -1.107 4.119 -11.770 1.00 0.00 S ATOM 0 H CYS A 79 -1.519 -0.418 -10.404 1.00 0.00 H new ATOM 0 HA CYS A 79 -0.314 1.419 -10.604 1.00 0.00 H new ATOM 0 HB2 CYS A 79 -2.115 2.009 -12.287 1.00 0.00 H new ATOM 0 HB3 CYS A 79 -3.000 2.852 -11.031 1.00 0.00 H new ATOM 0 HG CYS A 79 -0.532 4.577 -10.698 1.00 0.00 H new ATOM 1197 N LEU A 80 -1.503 1.850 -7.806 1.00 0.00 N ATOM 1198 CA LEU A 80 -1.371 2.480 -6.470 1.00 0.00 C ATOM 1199 C LEU A 80 0.130 2.661 -6.139 1.00 0.00 C ATOM 1200 O LEU A 80 0.839 1.674 -5.937 1.00 0.00 O ATOM 1201 CB LEU A 80 -2.108 1.610 -5.387 1.00 0.00 C ATOM 1202 CG LEU A 80 -2.381 2.240 -3.961 1.00 0.00 C ATOM 1203 CD1 LEU A 80 -1.107 2.386 -3.098 1.00 0.00 C ATOM 1204 CD2 LEU A 80 -3.131 3.583 -4.077 1.00 0.00 C ATOM 0 H LEU A 80 -1.880 0.903 -7.779 1.00 0.00 H new ATOM 0 HA LEU A 80 -1.842 3.463 -6.472 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -3.069 1.308 -5.804 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -1.524 0.701 -5.240 1.00 0.00 H new ATOM 0 HG LEU A 80 -3.021 1.530 -3.437 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -1.368 2.824 -2.135 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -0.660 1.405 -2.941 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -0.393 3.032 -3.609 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -3.304 3.991 -3.081 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -2.532 4.285 -4.658 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -4.088 3.424 -4.575 1.00 0.00 H new ATOM 1216 N CYS A 81 0.592 3.929 -6.117 1.00 0.00 N ATOM 1217 CA CYS A 81 1.993 4.281 -5.782 1.00 0.00 C ATOM 1218 C CYS A 81 2.351 3.841 -4.347 1.00 0.00 C ATOM 1219 O CYS A 81 1.602 4.117 -3.406 1.00 0.00 O ATOM 1220 CB CYS A 81 2.223 5.799 -5.930 1.00 0.00 C ATOM 1221 SG CYS A 81 3.881 6.352 -5.452 1.00 0.00 S ATOM 0 H CYS A 81 0.008 4.738 -6.330 1.00 0.00 H new ATOM 0 HA CYS A 81 2.640 3.751 -6.480 1.00 0.00 H new ATOM 0 HB2 CYS A 81 2.043 6.082 -6.967 1.00 0.00 H new ATOM 0 HB3 CYS A 81 1.488 6.327 -5.323 1.00 0.00 H new ATOM 0 HG CYS A 81 3.973 7.639 -5.614 1.00 0.00 H new ATOM 1227 N ALA A 82 3.514 3.177 -4.192 1.00 0.00 N ATOM 1228 CA ALA A 82 3.963 2.619 -2.896 1.00 0.00 C ATOM 1229 C ALA A 82 4.115 3.688 -1.784 1.00 0.00 C ATOM 1230 O ALA A 82 4.102 3.340 -0.623 1.00 0.00 O ATOM 1231 CB ALA A 82 5.254 1.810 -3.067 1.00 0.00 C ATOM 0 H ALA A 82 4.168 3.012 -4.957 1.00 0.00 H new ATOM 0 HA ALA A 82 3.171 1.949 -2.561 1.00 0.00 H new ATOM 0 HB1 ALA A 82 5.564 1.411 -2.101 1.00 0.00 H new ATOM 0 HB2 ALA A 82 5.079 0.988 -3.761 1.00 0.00 H new ATOM 0 HB3 ALA A 82 6.039 2.456 -3.461 1.00 0.00 H new ATOM 1237 N SER A 83 4.301 4.972 -2.151 1.00 0.00 N ATOM 1238 CA SER A 83 4.300 6.104 -1.175 1.00 0.00 C ATOM 1239 C SER A 83 2.965 6.189 -0.381 1.00 0.00 C ATOM 1240 O SER A 83 2.963 6.422 0.830 1.00 0.00 O ATOM 1241 CB SER A 83 4.543 7.439 -1.909 1.00 0.00 C ATOM 1242 OG SER A 83 5.762 7.413 -2.623 1.00 0.00 O ATOM 0 H SER A 83 4.455 5.261 -3.117 1.00 0.00 H new ATOM 0 HA SER A 83 5.105 5.917 -0.464 1.00 0.00 H new ATOM 0 HB2 SER A 83 3.720 7.635 -2.596 1.00 0.00 H new ATOM 0 HB3 SER A 83 4.558 8.256 -1.188 1.00 0.00 H new ATOM 0 HG SER A 83 6.028 6.483 -2.782 1.00 0.00 H new ATOM 1248 N ARG A 84 1.846 5.986 -1.100 1.00 0.00 N ATOM 1249 CA ARG A 84 0.471 6.025 -0.539 1.00 0.00 C ATOM 1250 C ARG A 84 0.198 4.822 0.407 1.00 0.00 C ATOM 1251 O ARG A 84 -0.412 4.976 1.474 1.00 0.00 O ATOM 1252 CB ARG A 84 -0.547 6.028 -1.714 1.00 0.00 C ATOM 1253 CG ARG A 84 -2.040 6.195 -1.329 1.00 0.00 C ATOM 1254 CD ARG A 84 -2.441 7.643 -0.960 1.00 0.00 C ATOM 1255 NE ARG A 84 -1.939 8.090 0.357 1.00 0.00 N ATOM 1256 CZ ARG A 84 -1.784 9.351 0.715 1.00 0.00 C ATOM 1257 NH1 ARG A 84 -1.943 10.326 -0.128 1.00 0.00 N ATOM 1258 NH2 ARG A 84 -1.450 9.630 1.923 1.00 0.00 N ATOM 0 H ARG A 84 1.865 5.787 -2.100 1.00 0.00 H new ATOM 0 HA ARG A 84 0.363 6.931 0.057 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -0.278 6.833 -2.398 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -0.438 5.093 -2.264 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -2.658 5.860 -2.162 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -2.261 5.542 -0.485 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -2.067 8.319 -1.728 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -3.528 7.721 -0.968 1.00 0.00 H new ATOM 0 HE ARG A 84 -1.695 7.372 1.039 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -2.195 10.127 -1.096 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -1.816 11.291 0.178 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -1.306 8.880 2.599 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -1.328 10.602 2.207 1.00 0.00 H new ATOM 1272 N TRP A 85 0.670 3.628 -0.007 1.00 0.00 N ATOM 1273 CA TRP A 85 0.514 2.370 0.766 1.00 0.00 C ATOM 1274 C TRP A 85 1.478 2.350 1.996 1.00 0.00 C ATOM 1275 O TRP A 85 1.030 2.130 3.128 1.00 0.00 O ATOM 1276 CB TRP A 85 0.697 1.128 -0.197 1.00 0.00 C ATOM 1277 CG TRP A 85 1.552 0.002 0.334 1.00 0.00 C ATOM 1278 CD1 TRP A 85 2.788 -0.337 -0.107 1.00 0.00 C ATOM 1279 CD2 TRP A 85 1.249 -0.903 1.408 1.00 0.00 C ATOM 1280 NE1 TRP A 85 3.295 -1.357 0.651 1.00 0.00 N ATOM 1281 CE2 TRP A 85 2.362 -1.730 1.579 1.00 0.00 C ATOM 1282 CE3 TRP A 85 0.154 -1.079 2.245 1.00 0.00 C ATOM 1283 CZ2 TRP A 85 2.412 -2.718 2.556 1.00 0.00 C ATOM 1284 CZ3 TRP A 85 0.202 -2.061 3.210 1.00 0.00 C ATOM 1285 CH2 TRP A 85 1.324 -2.869 3.362 1.00 0.00 C ATOM 0 H TRP A 85 1.171 3.505 -0.887 1.00 0.00 H new ATOM 0 HA TRP A 85 -0.493 2.310 1.178 1.00 0.00 H new ATOM 0 HB2 TRP A 85 -0.289 0.729 -0.435 1.00 0.00 H new ATOM 0 HB3 TRP A 85 1.133 1.479 -1.132 1.00 0.00 H new ATOM 0 HD1 TRP A 85 3.298 0.130 -0.936 1.00 0.00 H new ATOM 0 HE1 TRP A 85 4.220 -1.772 0.542 1.00 0.00 H new ATOM 0 HE3 TRP A 85 -0.722 -0.455 2.141 1.00 0.00 H new ATOM 0 HZ2 TRP A 85 3.284 -3.345 2.672 1.00 0.00 H new ATOM 0 HZ3 TRP A 85 -0.648 -2.206 3.861 1.00 0.00 H new ATOM 0 HH2 TRP A 85 1.333 -3.628 4.131 1.00 0.00 H new ATOM 1296 N GLN A 86 2.798 2.548 1.748 1.00 0.00 N ATOM 1297 CA GLN A 86 3.838 2.623 2.809 1.00 0.00 C ATOM 1298 C GLN A 86 3.479 3.599 3.955 1.00 0.00 C ATOM 1299 O GLN A 86 3.734 3.304 5.123 1.00 0.00 O ATOM 1300 CB GLN A 86 5.214 3.026 2.228 1.00 0.00 C ATOM 1301 CG GLN A 86 6.407 2.943 3.229 1.00 0.00 C ATOM 1302 CD GLN A 86 6.418 1.685 4.130 1.00 0.00 C ATOM 1303 OE1 GLN A 86 6.074 0.588 3.723 1.00 0.00 O ATOM 1304 NE2 GLN A 86 6.723 1.860 5.388 1.00 0.00 N ATOM 0 H GLN A 86 3.173 2.660 0.806 1.00 0.00 H new ATOM 0 HA GLN A 86 3.888 1.617 3.226 1.00 0.00 H new ATOM 0 HB2 GLN A 86 5.432 2.385 1.374 1.00 0.00 H new ATOM 0 HB3 GLN A 86 5.147 4.047 1.851 1.00 0.00 H new ATOM 0 HG2 GLN A 86 7.339 2.975 2.664 1.00 0.00 H new ATOM 0 HG3 GLN A 86 6.390 3.827 3.866 1.00 0.00 H new ATOM 0 HE21 GLN A 86 7.010 2.781 5.720 1.00 0.00 H new ATOM 0 HE22 GLN A 86 6.674 1.076 6.038 1.00 0.00 H new ATOM 1313 N GLU A 87 2.903 4.768 3.609 1.00 0.00 N ATOM 1314 CA GLU A 87 2.478 5.763 4.623 1.00 0.00 C ATOM 1315 C GLU A 87 1.394 5.176 5.557 1.00 0.00 C ATOM 1316 O GLU A 87 1.421 5.398 6.770 1.00 0.00 O ATOM 1317 CB GLU A 87 1.919 7.059 3.976 1.00 0.00 C ATOM 1318 CG GLU A 87 1.514 8.149 5.012 1.00 0.00 C ATOM 1319 CD GLU A 87 0.508 9.175 4.465 1.00 0.00 C ATOM 1320 OE1 GLU A 87 0.935 10.208 3.908 1.00 0.00 O ATOM 1321 OE2 GLU A 87 -0.720 8.938 4.577 1.00 0.00 O ATOM 0 H GLU A 87 2.721 5.048 2.645 1.00 0.00 H new ATOM 0 HA GLU A 87 3.371 6.012 5.196 1.00 0.00 H new ATOM 0 HB2 GLU A 87 2.670 7.472 3.302 1.00 0.00 H new ATOM 0 HB3 GLU A 87 1.050 6.806 3.369 1.00 0.00 H new ATOM 0 HG2 GLU A 87 1.085 7.664 5.888 1.00 0.00 H new ATOM 0 HG3 GLU A 87 2.410 8.673 5.345 1.00 0.00 H new ATOM 1328 N ALA A 88 0.444 4.423 4.972 1.00 0.00 N ATOM 1329 CA ALA A 88 -0.638 3.779 5.735 1.00 0.00 C ATOM 1330 C ALA A 88 -0.079 2.673 6.660 1.00 0.00 C ATOM 1331 O ALA A 88 -0.629 2.413 7.738 1.00 0.00 O ATOM 1332 CB ALA A 88 -1.716 3.231 4.788 1.00 0.00 C ATOM 0 H ALA A 88 0.405 4.246 3.968 1.00 0.00 H new ATOM 0 HA ALA A 88 -1.105 4.531 6.371 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -2.507 2.759 5.371 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -2.136 4.049 4.203 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -1.271 2.496 4.117 1.00 0.00 H new ATOM 1338 N PHE A 89 1.029 2.044 6.218 1.00 0.00 N ATOM 1339 CA PHE A 89 1.807 1.090 7.028 1.00 0.00 C ATOM 1340 C PHE A 89 2.491 1.810 8.221 1.00 0.00 C ATOM 1341 O PHE A 89 2.477 1.312 9.350 1.00 0.00 O ATOM 1342 CB PHE A 89 2.853 0.362 6.127 1.00 0.00 C ATOM 1343 CG PHE A 89 3.605 -0.775 6.818 1.00 0.00 C ATOM 1344 CD1 PHE A 89 4.792 -0.542 7.516 1.00 0.00 C ATOM 1345 CD2 PHE A 89 3.105 -2.079 6.800 1.00 0.00 C ATOM 1346 CE1 PHE A 89 5.443 -1.565 8.172 1.00 0.00 C ATOM 1347 CE2 PHE A 89 3.763 -3.102 7.450 1.00 0.00 C ATOM 1348 CZ PHE A 89 4.930 -2.846 8.139 1.00 0.00 C ATOM 0 H PHE A 89 1.410 2.186 5.283 1.00 0.00 H new ATOM 0 HA PHE A 89 1.131 0.342 7.444 1.00 0.00 H new ATOM 0 HB2 PHE A 89 2.343 -0.037 5.250 1.00 0.00 H new ATOM 0 HB3 PHE A 89 3.577 1.094 5.769 1.00 0.00 H new ATOM 0 HD1 PHE A 89 5.206 0.455 7.542 1.00 0.00 H new ATOM 0 HD2 PHE A 89 2.189 -2.290 6.269 1.00 0.00 H new ATOM 0 HE1 PHE A 89 6.356 -1.364 8.713 1.00 0.00 H new ATOM 0 HE2 PHE A 89 3.364 -4.105 7.419 1.00 0.00 H new ATOM 0 HZ PHE A 89 5.442 -3.647 8.652 1.00 0.00 H new ATOM 1358 N GLU A 90 3.074 2.992 7.952 1.00 0.00 N ATOM 1359 CA GLU A 90 3.768 3.808 8.980 1.00 0.00 C ATOM 1360 C GLU A 90 2.792 4.413 10.010 1.00 0.00 C ATOM 1361 O GLU A 90 3.148 4.602 11.176 1.00 0.00 O ATOM 1362 CB GLU A 90 4.616 4.921 8.315 1.00 0.00 C ATOM 1363 CG GLU A 90 5.802 4.400 7.477 1.00 0.00 C ATOM 1364 CD GLU A 90 6.821 3.581 8.300 1.00 0.00 C ATOM 1365 OE1 GLU A 90 7.664 4.187 8.991 1.00 0.00 O ATOM 1366 OE2 GLU A 90 6.791 2.330 8.258 1.00 0.00 O ATOM 0 H GLU A 90 3.081 3.412 7.022 1.00 0.00 H new ATOM 0 HA GLU A 90 4.431 3.135 9.524 1.00 0.00 H new ATOM 0 HB2 GLU A 90 3.969 5.521 7.674 1.00 0.00 H new ATOM 0 HB3 GLU A 90 4.998 5.583 9.092 1.00 0.00 H new ATOM 0 HG2 GLU A 90 5.420 3.781 6.666 1.00 0.00 H new ATOM 0 HG3 GLU A 90 6.313 5.247 7.018 1.00 0.00 H new ATOM 1373 N ALA A 91 1.565 4.714 9.559 1.00 0.00 N ATOM 1374 CA ALA A 91 0.473 5.215 10.424 1.00 0.00 C ATOM 1375 C ALA A 91 -0.197 4.064 11.222 1.00 0.00 C ATOM 1376 O ALA A 91 -0.996 4.313 12.132 1.00 0.00 O ATOM 1377 CB ALA A 91 -0.551 5.975 9.570 1.00 0.00 C ATOM 0 H ALA A 91 1.296 4.618 8.580 1.00 0.00 H new ATOM 0 HA ALA A 91 0.896 5.900 11.159 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -1.355 6.343 10.208 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -0.062 6.817 9.079 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -0.964 5.305 8.816 1.00 0.00 H new ATOM 1383 N GLY A 92 0.125 2.806 10.846 1.00 0.00 N ATOM 1384 CA GLY A 92 -0.264 1.613 11.621 1.00 0.00 C ATOM 1385 C GLY A 92 -1.378 0.770 10.993 1.00 0.00 C ATOM 1386 O GLY A 92 -1.560 -0.389 11.381 1.00 0.00 O ATOM 0 H GLY A 92 0.658 2.593 10.003 1.00 0.00 H new ATOM 0 HA2 GLY A 92 0.615 0.983 11.757 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -0.584 1.931 12.613 1.00 0.00 H new ATOM 1390 N MET A 93 -2.125 1.333 10.026 1.00 0.00 N ATOM 1391 CA MET A 93 -3.270 0.630 9.395 1.00 0.00 C ATOM 1392 C MET A 93 -2.778 -0.476 8.426 1.00 0.00 C ATOM 1393 O MET A 93 -2.911 -1.670 8.719 1.00 0.00 O ATOM 1394 CB MET A 93 -4.203 1.621 8.643 1.00 0.00 C ATOM 1395 CG MET A 93 -4.655 2.839 9.461 1.00 0.00 C ATOM 1396 SD MET A 93 -3.432 4.167 9.443 1.00 0.00 S ATOM 1397 CE MET A 93 -3.544 4.725 7.735 1.00 0.00 C ATOM 0 H MET A 93 -1.961 2.271 9.661 1.00 0.00 H new ATOM 0 HA MET A 93 -3.843 0.164 10.196 1.00 0.00 H new ATOM 0 HB2 MET A 93 -3.688 1.974 7.750 1.00 0.00 H new ATOM 0 HB3 MET A 93 -5.088 1.080 8.308 1.00 0.00 H new ATOM 0 HG2 MET A 93 -5.599 3.212 9.063 1.00 0.00 H new ATOM 0 HG3 MET A 93 -4.842 2.534 10.491 1.00 0.00 H new ATOM 0 HE1 MET A 93 -3.057 5.695 7.637 1.00 0.00 H new ATOM 0 HE2 MET A 93 -3.051 4.004 7.083 1.00 0.00 H new ATOM 0 HE3 MET A 93 -4.592 4.814 7.449 1.00 0.00 H new ATOM 1407 N ALA A 94 -2.198 -0.035 7.290 1.00 0.00 N ATOM 1408 CA ALA A 94 -1.661 -0.908 6.224 1.00 0.00 C ATOM 1409 C ALA A 94 -2.740 -1.835 5.584 1.00 0.00 C ATOM 1410 O ALA A 94 -3.079 -2.884 6.147 1.00 0.00 O ATOM 1411 CB ALA A 94 -0.453 -1.713 6.717 1.00 0.00 C ATOM 0 H ALA A 94 -2.088 0.958 7.084 1.00 0.00 H new ATOM 0 HA ALA A 94 -1.325 -0.242 5.429 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -0.082 -2.344 5.909 1.00 0.00 H new ATOM 0 HB2 ALA A 94 0.335 -1.030 7.034 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -0.751 -2.338 7.559 1.00 0.00 H new ATOM 1417 N PRO A 95 -3.309 -1.434 4.404 1.00 0.00 N ATOM 1418 CA PRO A 95 -4.285 -2.268 3.635 1.00 0.00 C ATOM 1419 C PRO A 95 -3.635 -3.516 2.944 1.00 0.00 C ATOM 1420 O PRO A 95 -2.406 -3.640 2.917 1.00 0.00 O ATOM 1421 CB PRO A 95 -4.829 -1.247 2.602 1.00 0.00 C ATOM 1422 CG PRO A 95 -3.690 -0.310 2.370 1.00 0.00 C ATOM 1423 CD PRO A 95 -3.068 -0.123 3.730 1.00 0.00 C ATOM 0 HA PRO A 95 -5.050 -2.716 4.269 1.00 0.00 H new ATOM 0 HB2 PRO A 95 -5.132 -1.740 1.678 1.00 0.00 H new ATOM 0 HB3 PRO A 95 -5.704 -0.722 2.985 1.00 0.00 H new ATOM 0 HG2 PRO A 95 -2.974 -0.725 1.660 1.00 0.00 H new ATOM 0 HG3 PRO A 95 -4.035 0.638 1.958 1.00 0.00 H new ATOM 0 HD2 PRO A 95 -2.004 0.102 3.658 1.00 0.00 H new ATOM 0 HD3 PRO A 95 -3.532 0.700 4.274 1.00 0.00 H new ATOM 1431 N PRO A 96 -4.456 -4.485 2.401 1.00 0.00 N ATOM 1432 CA PRO A 96 -3.921 -5.664 1.665 1.00 0.00 C ATOM 1433 C PRO A 96 -3.227 -5.276 0.331 1.00 0.00 C ATOM 1434 O PRO A 96 -3.850 -4.699 -0.556 1.00 0.00 O ATOM 1435 CB PRO A 96 -5.181 -6.552 1.408 1.00 0.00 C ATOM 1436 CG PRO A 96 -6.235 -6.014 2.331 1.00 0.00 C ATOM 1437 CD PRO A 96 -5.941 -4.538 2.471 1.00 0.00 C ATOM 0 HA PRO A 96 -3.146 -6.175 2.236 1.00 0.00 H new ATOM 0 HB2 PRO A 96 -5.500 -6.491 0.368 1.00 0.00 H new ATOM 0 HB3 PRO A 96 -4.973 -7.601 1.617 1.00 0.00 H new ATOM 0 HG2 PRO A 96 -7.233 -6.178 1.924 1.00 0.00 H new ATOM 0 HG3 PRO A 96 -6.200 -6.514 3.299 1.00 0.00 H new ATOM 0 HD2 PRO A 96 -6.404 -3.957 1.673 1.00 0.00 H new ATOM 0 HD3 PRO A 96 -6.315 -4.140 3.414 1.00 0.00 H new ATOM 1445 N VAL A 97 -1.928 -5.577 0.216 1.00 0.00 N ATOM 1446 CA VAL A 97 -1.155 -5.397 -1.034 1.00 0.00 C ATOM 1447 C VAL A 97 -0.894 -6.791 -1.685 1.00 0.00 C ATOM 1448 O VAL A 97 -0.985 -7.826 -1.019 1.00 0.00 O ATOM 1449 CB VAL A 97 0.165 -4.573 -0.750 1.00 0.00 C ATOM 1450 CG1 VAL A 97 1.047 -5.229 0.333 1.00 0.00 C ATOM 1451 CG2 VAL A 97 0.968 -4.297 -2.043 1.00 0.00 C ATOM 0 H VAL A 97 -1.375 -5.954 0.986 1.00 0.00 H new ATOM 0 HA VAL A 97 -1.725 -4.810 -1.755 1.00 0.00 H new ATOM 0 HB VAL A 97 -0.157 -3.609 -0.356 1.00 0.00 H new ATOM 0 HG11 VAL A 97 1.940 -4.624 0.490 1.00 0.00 H new ATOM 0 HG12 VAL A 97 0.487 -5.298 1.266 1.00 0.00 H new ATOM 0 HG13 VAL A 97 1.338 -6.228 0.009 1.00 0.00 H new ATOM 0 HG21 VAL A 97 1.866 -3.729 -1.799 1.00 0.00 H new ATOM 0 HG22 VAL A 97 1.251 -5.243 -2.504 1.00 0.00 H new ATOM 0 HG23 VAL A 97 0.354 -3.724 -2.738 1.00 0.00 H new ATOM 1461 N VAL A 98 -0.619 -6.820 -3.000 1.00 0.00 N ATOM 1462 CA VAL A 98 -0.554 -8.078 -3.791 1.00 0.00 C ATOM 1463 C VAL A 98 0.877 -8.357 -4.355 1.00 0.00 C ATOM 1464 O VAL A 98 1.333 -7.696 -5.288 1.00 0.00 O ATOM 1465 CB VAL A 98 -1.646 -8.027 -4.934 1.00 0.00 C ATOM 1466 CG1 VAL A 98 -1.547 -6.723 -5.774 1.00 0.00 C ATOM 1467 CG2 VAL A 98 -1.609 -9.287 -5.827 1.00 0.00 C ATOM 0 H VAL A 98 -0.435 -5.981 -3.550 1.00 0.00 H new ATOM 0 HA VAL A 98 -0.771 -8.917 -3.130 1.00 0.00 H new ATOM 0 HB VAL A 98 -2.617 -8.016 -4.440 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -2.315 -6.729 -6.547 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -1.693 -5.860 -5.125 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -0.563 -6.664 -6.240 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -2.375 -9.209 -6.598 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -0.629 -9.371 -6.297 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -1.796 -10.171 -5.217 1.00 0.00 H new ATOM 1477 N LEU A 99 1.575 -9.373 -3.783 1.00 0.00 N ATOM 1478 CA LEU A 99 2.948 -9.766 -4.223 1.00 0.00 C ATOM 1479 C LEU A 99 2.962 -10.410 -5.628 1.00 0.00 C ATOM 1480 O LEU A 99 3.955 -10.300 -6.361 1.00 0.00 O ATOM 1481 CB LEU A 99 3.608 -10.719 -3.201 1.00 0.00 C ATOM 1482 CG LEU A 99 3.910 -10.104 -1.801 1.00 0.00 C ATOM 1483 CD1 LEU A 99 4.408 -11.176 -0.815 1.00 0.00 C ATOM 1484 CD2 LEU A 99 4.907 -8.922 -1.909 1.00 0.00 C ATOM 0 H LEU A 99 1.212 -9.938 -3.015 1.00 0.00 H new ATOM 0 HA LEU A 99 3.526 -8.844 -4.279 1.00 0.00 H new ATOM 0 HB2 LEU A 99 2.958 -11.583 -3.065 1.00 0.00 H new ATOM 0 HB3 LEU A 99 4.542 -11.087 -3.625 1.00 0.00 H new ATOM 0 HG LEU A 99 2.975 -9.707 -1.405 1.00 0.00 H new ATOM 0 HD11 LEU A 99 4.610 -10.715 0.152 1.00 0.00 H new ATOM 0 HD12 LEU A 99 3.645 -11.945 -0.698 1.00 0.00 H new ATOM 0 HD13 LEU A 99 5.322 -11.627 -1.200 1.00 0.00 H new ATOM 0 HD21 LEU A 99 5.097 -8.515 -0.916 1.00 0.00 H new ATOM 0 HD22 LEU A 99 5.843 -9.274 -2.342 1.00 0.00 H new ATOM 0 HD23 LEU A 99 4.483 -8.145 -2.545 1.00 0.00 H new ATOM 1496 N GLN A 100 1.850 -11.068 -5.998 1.00 0.00 N ATOM 1497 CA GLN A 100 1.651 -11.653 -7.352 1.00 0.00 C ATOM 1498 C GLN A 100 1.136 -10.592 -8.369 1.00 0.00 C ATOM 1499 O GLN A 100 0.306 -10.886 -9.238 1.00 0.00 O ATOM 1500 CB GLN A 100 0.698 -12.886 -7.254 1.00 0.00 C ATOM 1501 CG GLN A 100 -0.637 -12.632 -6.530 1.00 0.00 C ATOM 1502 CD GLN A 100 -1.539 -13.867 -6.478 1.00 0.00 C ATOM 1503 OE1 GLN A 100 -1.462 -14.671 -5.557 1.00 0.00 O ATOM 1504 NE2 GLN A 100 -2.400 -14.027 -7.464 1.00 0.00 N ATOM 0 H GLN A 100 1.058 -11.214 -5.372 1.00 0.00 H new ATOM 0 HA GLN A 100 2.614 -11.993 -7.733 1.00 0.00 H new ATOM 0 HB2 GLN A 100 0.484 -13.239 -8.263 1.00 0.00 H new ATOM 0 HB3 GLN A 100 1.224 -13.690 -6.740 1.00 0.00 H new ATOM 0 HG2 GLN A 100 -0.433 -12.296 -5.513 1.00 0.00 H new ATOM 0 HG3 GLN A 100 -1.168 -11.823 -7.033 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -2.444 -13.343 -8.219 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -3.022 -14.835 -7.472 1.00 0.00 H new ATOM 1513 N SER A 101 1.694 -9.367 -8.264 1.00 0.00 N ATOM 1514 CA SER A 101 1.386 -8.223 -9.158 1.00 0.00 C ATOM 1515 C SER A 101 2.379 -7.047 -8.916 1.00 0.00 C ATOM 1516 O SER A 101 2.573 -6.212 -9.804 1.00 0.00 O ATOM 1517 CB SER A 101 -0.076 -7.738 -8.972 1.00 0.00 C ATOM 1518 OG SER A 101 -0.450 -6.765 -9.937 1.00 0.00 O ATOM 0 H SER A 101 2.382 -9.139 -7.546 1.00 0.00 H new ATOM 0 HA SER A 101 1.500 -8.570 -10.185 1.00 0.00 H new ATOM 0 HB2 SER A 101 -0.751 -8.591 -9.040 1.00 0.00 H new ATOM 0 HB3 SER A 101 -0.193 -7.318 -7.973 1.00 0.00 H new ATOM 0 HG SER A 101 -1.378 -6.490 -9.782 1.00 0.00 H new ATOM 1524 N THR A 102 2.982 -6.970 -7.696 1.00 0.00 N ATOM 1525 CA THR A 102 4.071 -5.997 -7.377 1.00 0.00 C ATOM 1526 C THR A 102 5.426 -6.405 -8.013 1.00 0.00 C ATOM 1527 O THR A 102 5.533 -7.408 -8.727 1.00 0.00 O ATOM 1528 CB THR A 102 4.279 -5.835 -5.823 1.00 0.00 C ATOM 1529 OG1 THR A 102 4.446 -7.117 -5.204 1.00 0.00 O ATOM 1530 CG2 THR A 102 3.125 -5.077 -5.153 1.00 0.00 C ATOM 0 H THR A 102 2.731 -7.573 -6.913 1.00 0.00 H new ATOM 0 HA THR A 102 3.747 -5.047 -7.802 1.00 0.00 H new ATOM 0 HB THR A 102 5.183 -5.242 -5.685 1.00 0.00 H new ATOM 0 HG1 THR A 102 5.020 -7.027 -4.415 1.00 0.00 H new ATOM 0 HG21 THR A 102 3.317 -4.993 -4.083 1.00 0.00 H new ATOM 0 HG22 THR A 102 3.044 -4.080 -5.587 1.00 0.00 H new ATOM 0 HG23 THR A 102 2.193 -5.619 -5.312 1.00 0.00 H new ATOM 1538 N GLU A 103 6.460 -5.603 -7.706 1.00 0.00 N ATOM 1539 CA GLU A 103 7.824 -5.769 -8.249 1.00 0.00 C ATOM 1540 C GLU A 103 8.858 -5.278 -7.187 1.00 0.00 C ATOM 1541 O GLU A 103 8.483 -4.707 -6.156 1.00 0.00 O ATOM 1542 CB GLU A 103 7.927 -4.943 -9.584 1.00 0.00 C ATOM 1543 CG GLU A 103 8.758 -5.553 -10.737 1.00 0.00 C ATOM 1544 CD GLU A 103 10.266 -5.627 -10.477 1.00 0.00 C ATOM 1545 OE1 GLU A 103 10.920 -4.565 -10.442 1.00 0.00 O ATOM 1546 OE2 GLU A 103 10.797 -6.741 -10.277 1.00 0.00 O ATOM 0 H GLU A 103 6.374 -4.812 -7.067 1.00 0.00 H new ATOM 0 HA GLU A 103 8.039 -6.815 -8.468 1.00 0.00 H new ATOM 0 HB2 GLU A 103 6.916 -4.771 -9.952 1.00 0.00 H new ATOM 0 HB3 GLU A 103 8.349 -3.967 -9.344 1.00 0.00 H new ATOM 0 HG2 GLU A 103 8.389 -6.559 -10.939 1.00 0.00 H new ATOM 0 HG3 GLU A 103 8.588 -4.965 -11.639 1.00 0.00 H new ATOM 1553 N LYS A 104 10.149 -5.516 -7.454 1.00 0.00 N ATOM 1554 CA LYS A 104 11.285 -4.908 -6.708 1.00 0.00 C ATOM 1555 C LYS A 104 11.292 -3.352 -6.869 1.00 0.00 C ATOM 1556 O LYS A 104 11.943 -2.638 -6.098 1.00 0.00 O ATOM 1557 CB LYS A 104 12.644 -5.518 -7.191 1.00 0.00 C ATOM 1558 CG LYS A 104 12.923 -6.996 -6.780 1.00 0.00 C ATOM 1559 CD LYS A 104 11.865 -8.009 -7.299 1.00 0.00 C ATOM 1560 CE LYS A 104 12.267 -9.481 -7.092 1.00 0.00 C ATOM 1561 NZ LYS A 104 13.446 -9.851 -7.921 1.00 0.00 N ATOM 0 H LYS A 104 10.449 -6.142 -8.201 1.00 0.00 H new ATOM 0 HA LYS A 104 11.158 -5.136 -5.650 1.00 0.00 H new ATOM 0 HB2 LYS A 104 12.681 -5.453 -8.278 1.00 0.00 H new ATOM 0 HB3 LYS A 104 13.453 -4.897 -6.807 1.00 0.00 H new ATOM 0 HG2 LYS A 104 13.904 -7.287 -7.155 1.00 0.00 H new ATOM 0 HG3 LYS A 104 12.967 -7.058 -5.693 1.00 0.00 H new ATOM 0 HD2 LYS A 104 10.918 -7.825 -6.791 1.00 0.00 H new ATOM 0 HD3 LYS A 104 11.696 -7.833 -8.361 1.00 0.00 H new ATOM 0 HE2 LYS A 104 12.494 -9.652 -6.040 1.00 0.00 H new ATOM 0 HE3 LYS A 104 11.427 -10.127 -7.346 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 13.584 -10.881 -7.888 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 13.285 -9.555 -8.905 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 14.294 -9.376 -7.551 1.00 0.00 H new ATOM 1575 N SER A 105 10.564 -2.858 -7.898 1.00 0.00 N ATOM 1576 CA SER A 105 10.251 -1.421 -8.092 1.00 0.00 C ATOM 1577 C SER A 105 9.506 -0.813 -6.876 1.00 0.00 C ATOM 1578 O SER A 105 9.703 0.358 -6.536 1.00 0.00 O ATOM 1579 CB SER A 105 9.371 -1.265 -9.348 1.00 0.00 C ATOM 1580 OG SER A 105 9.983 -1.828 -10.492 1.00 0.00 O ATOM 0 H SER A 105 10.172 -3.454 -8.627 1.00 0.00 H new ATOM 0 HA SER A 105 11.195 -0.887 -8.205 1.00 0.00 H new ATOM 0 HB2 SER A 105 8.407 -1.745 -9.178 1.00 0.00 H new ATOM 0 HB3 SER A 105 9.174 -0.208 -9.525 1.00 0.00 H new ATOM 0 HG SER A 105 10.095 -2.793 -10.362 1.00 0.00 H new ATOM 1586 N ALA A 106 8.623 -1.619 -6.250 1.00 0.00 N ATOM 1587 CA ALA A 106 7.893 -1.217 -5.023 1.00 0.00 C ATOM 1588 C ALA A 106 8.868 -0.975 -3.844 1.00 0.00 C ATOM 1589 O ALA A 106 8.699 -0.032 -3.063 1.00 0.00 O ATOM 1590 CB ALA A 106 6.838 -2.277 -4.660 1.00 0.00 C ATOM 0 H ALA A 106 8.395 -2.559 -6.575 1.00 0.00 H new ATOM 0 HA ALA A 106 7.382 -0.275 -5.222 1.00 0.00 H new ATOM 0 HB1 ALA A 106 6.309 -1.970 -3.758 1.00 0.00 H new ATOM 0 HB2 ALA A 106 6.127 -2.379 -5.480 1.00 0.00 H new ATOM 0 HB3 ALA A 106 7.329 -3.234 -4.485 1.00 0.00 H new ATOM 1596 N LEU A 107 9.936 -1.803 -3.786 1.00 0.00 N ATOM 1597 CA LEU A 107 10.982 -1.779 -2.714 1.00 0.00 C ATOM 1598 C LEU A 107 11.873 -0.499 -2.740 1.00 0.00 C ATOM 1599 O LEU A 107 12.838 -0.399 -1.976 1.00 0.00 O ATOM 1600 CB LEU A 107 11.881 -3.055 -2.804 1.00 0.00 C ATOM 1601 CG LEU A 107 11.276 -4.397 -2.265 1.00 0.00 C ATOM 1602 CD1 LEU A 107 10.026 -4.847 -3.052 1.00 0.00 C ATOM 1603 CD2 LEU A 107 12.355 -5.512 -2.242 1.00 0.00 C ATOM 0 H LEU A 107 10.107 -2.522 -4.490 1.00 0.00 H new ATOM 0 HA LEU A 107 10.444 -1.765 -1.766 1.00 0.00 H new ATOM 0 HB2 LEU A 107 12.154 -3.203 -3.849 1.00 0.00 H new ATOM 0 HB3 LEU A 107 12.804 -2.857 -2.259 1.00 0.00 H new ATOM 0 HG LEU A 107 10.945 -4.210 -1.244 1.00 0.00 H new ATOM 0 HD11 LEU A 107 9.650 -5.781 -2.635 1.00 0.00 H new ATOM 0 HD12 LEU A 107 9.254 -4.081 -2.979 1.00 0.00 H new ATOM 0 HD13 LEU A 107 10.290 -4.997 -4.099 1.00 0.00 H new ATOM 0 HD21 LEU A 107 11.916 -6.436 -1.865 1.00 0.00 H new ATOM 0 HD22 LEU A 107 12.731 -5.675 -3.252 1.00 0.00 H new ATOM 0 HD23 LEU A 107 13.177 -5.210 -1.593 1.00 0.00 H new ATOM 1615 N ARG A 108 11.544 0.463 -3.607 1.00 0.00 N ATOM 1616 CA ARG A 108 12.242 1.769 -3.685 1.00 0.00 C ATOM 1617 C ARG A 108 11.615 2.768 -2.690 1.00 0.00 C ATOM 1618 O ARG A 108 12.252 3.738 -2.265 1.00 0.00 O ATOM 1619 CB ARG A 108 12.170 2.310 -5.136 1.00 0.00 C ATOM 1620 CG ARG A 108 12.892 1.427 -6.179 1.00 0.00 C ATOM 1621 CD ARG A 108 12.739 1.954 -7.619 1.00 0.00 C ATOM 1622 NE ARG A 108 13.235 3.336 -7.767 1.00 0.00 N ATOM 1623 CZ ARG A 108 13.262 4.023 -8.888 1.00 0.00 C ATOM 1624 NH1 ARG A 108 12.860 3.511 -10.011 1.00 0.00 N ATOM 1625 NH2 ARG A 108 13.703 5.239 -8.873 1.00 0.00 N ATOM 0 H ARG A 108 10.785 0.367 -4.281 1.00 0.00 H new ATOM 0 HA ARG A 108 13.290 1.638 -3.414 1.00 0.00 H new ATOM 0 HB2 ARG A 108 11.123 2.409 -5.423 1.00 0.00 H new ATOM 0 HB3 ARG A 108 12.603 3.310 -5.161 1.00 0.00 H new ATOM 0 HG2 ARG A 108 13.951 1.370 -5.929 1.00 0.00 H new ATOM 0 HG3 ARG A 108 12.497 0.413 -6.125 1.00 0.00 H new ATOM 0 HD2 ARG A 108 13.282 1.301 -8.302 1.00 0.00 H new ATOM 0 HD3 ARG A 108 11.689 1.915 -7.908 1.00 0.00 H new ATOM 0 HE ARG A 108 13.587 3.798 -6.928 1.00 0.00 H new ATOM 0 HH11 ARG A 108 12.512 2.553 -10.039 1.00 0.00 H new ATOM 0 HH12 ARG A 108 12.892 4.067 -10.865 1.00 0.00 H new ATOM 0 HH21 ARG A 108 14.025 5.654 -7.999 1.00 0.00 H new ATOM 0 HH22 ARG A 108 13.729 5.783 -9.736 1.00 0.00 H new ATOM 1639 N TYR A 109 10.345 2.505 -2.341 1.00 0.00 N ATOM 1640 CA TYR A 109 9.557 3.299 -1.385 1.00 0.00 C ATOM 1641 C TYR A 109 9.397 2.486 -0.074 1.00 0.00 C ATOM 1642 O TYR A 109 9.662 2.982 1.024 1.00 0.00 O ATOM 1643 CB TYR A 109 8.158 3.609 -1.989 1.00 0.00 C ATOM 1644 CG TYR A 109 8.160 4.119 -3.448 1.00 0.00 C ATOM 1645 CD1 TYR A 109 8.345 3.236 -4.526 1.00 0.00 C ATOM 1646 CD2 TYR A 109 7.936 5.465 -3.754 1.00 0.00 C ATOM 1647 CE1 TYR A 109 8.312 3.680 -5.834 1.00 0.00 C ATOM 1648 CE2 TYR A 109 7.907 5.911 -5.062 1.00 0.00 C ATOM 1649 CZ TYR A 109 8.093 5.017 -6.099 1.00 0.00 C ATOM 1650 OH TYR A 109 8.052 5.461 -7.404 1.00 0.00 O ATOM 0 H TYR A 109 9.826 1.716 -2.725 1.00 0.00 H new ATOM 0 HA TYR A 109 10.066 4.240 -1.175 1.00 0.00 H new ATOM 0 HB2 TYR A 109 7.552 2.704 -1.940 1.00 0.00 H new ATOM 0 HB3 TYR A 109 7.669 4.355 -1.363 1.00 0.00 H new ATOM 0 HD1 TYR A 109 8.517 2.188 -4.328 1.00 0.00 H new ATOM 0 HD2 TYR A 109 7.782 6.171 -2.951 1.00 0.00 H new ATOM 0 HE1 TYR A 109 8.457 2.983 -6.646 1.00 0.00 H new ATOM 0 HE2 TYR A 109 7.739 6.957 -5.273 1.00 0.00 H new ATOM 0 HH TYR A 109 7.888 6.427 -7.416 1.00 0.00 H new ATOM 1660 N VAL A 110 8.947 1.218 -0.231 1.00 0.00 N ATOM 1661 CA VAL A 110 8.787 0.252 0.885 1.00 0.00 C ATOM 1662 C VAL A 110 9.998 -0.691 1.007 1.00 0.00 C ATOM 1663 O VAL A 110 11.026 -0.525 0.358 1.00 0.00 O ATOM 1664 CB VAL A 110 7.502 -0.654 0.696 1.00 0.00 C ATOM 1665 CG1 VAL A 110 6.235 0.147 0.652 1.00 0.00 C ATOM 1666 CG2 VAL A 110 7.556 -1.506 -0.565 1.00 0.00 C ATOM 0 H VAL A 110 8.683 0.834 -1.138 1.00 0.00 H new ATOM 0 HA VAL A 110 8.693 0.859 1.785 1.00 0.00 H new ATOM 0 HB VAL A 110 7.500 -1.303 1.572 1.00 0.00 H new ATOM 0 HG11 VAL A 110 5.385 -0.523 0.521 1.00 0.00 H new ATOM 0 HG12 VAL A 110 6.121 0.699 1.585 1.00 0.00 H new ATOM 0 HG13 VAL A 110 6.276 0.848 -0.182 1.00 0.00 H new ATOM 0 HG21 VAL A 110 6.648 -2.104 -0.639 1.00 0.00 H new ATOM 0 HG22 VAL A 110 7.636 -0.859 -1.438 1.00 0.00 H new ATOM 0 HG23 VAL A 110 8.423 -2.166 -0.522 1.00 0.00 H new ATOM 1676 N SER A 111 9.848 -1.671 1.884 1.00 0.00 N ATOM 1677 CA SER A 111 10.614 -2.915 1.864 1.00 0.00 C ATOM 1678 C SER A 111 9.654 -4.067 1.558 1.00 0.00 C ATOM 1679 O SER A 111 8.437 -3.945 1.765 1.00 0.00 O ATOM 1680 CB SER A 111 11.290 -3.141 3.222 1.00 0.00 C ATOM 1681 OG SER A 111 12.060 -4.339 3.232 1.00 0.00 O ATOM 0 H SER A 111 9.175 -1.626 2.649 1.00 0.00 H new ATOM 0 HA SER A 111 11.390 -2.862 1.101 1.00 0.00 H new ATOM 0 HB2 SER A 111 11.933 -2.292 3.454 1.00 0.00 H new ATOM 0 HB3 SER A 111 10.531 -3.189 4.003 1.00 0.00 H new ATOM 0 HG SER A 111 12.478 -4.452 4.111 1.00 0.00 H new ATOM 1687 N LEU A 112 10.198 -5.182 1.069 1.00 0.00 N ATOM 1688 CA LEU A 112 9.436 -6.435 0.917 1.00 0.00 C ATOM 1689 C LEU A 112 8.814 -6.866 2.267 1.00 0.00 C ATOM 1690 O LEU A 112 7.717 -7.393 2.294 1.00 0.00 O ATOM 1691 CB LEU A 112 10.357 -7.533 0.302 1.00 0.00 C ATOM 1692 CG LEU A 112 9.893 -9.042 0.378 1.00 0.00 C ATOM 1693 CD1 LEU A 112 10.454 -9.869 -0.800 1.00 0.00 C ATOM 1694 CD2 LEU A 112 10.306 -9.711 1.722 1.00 0.00 C ATOM 0 H LEU A 112 11.170 -5.249 0.768 1.00 0.00 H new ATOM 0 HA LEU A 112 8.603 -6.278 0.231 1.00 0.00 H new ATOM 0 HB2 LEU A 112 10.509 -7.286 -0.749 1.00 0.00 H new ATOM 0 HB3 LEU A 112 11.329 -7.461 0.790 1.00 0.00 H new ATOM 0 HG LEU A 112 8.805 -9.030 0.316 1.00 0.00 H new ATOM 0 HD11 LEU A 112 10.114 -10.901 -0.714 1.00 0.00 H new ATOM 0 HD12 LEU A 112 10.101 -9.448 -1.741 1.00 0.00 H new ATOM 0 HD13 LEU A 112 11.543 -9.843 -0.777 1.00 0.00 H new ATOM 0 HD21 LEU A 112 9.967 -10.747 1.732 1.00 0.00 H new ATOM 0 HD22 LEU A 112 11.391 -9.683 1.824 1.00 0.00 H new ATOM 0 HD23 LEU A 112 9.849 -9.172 2.552 1.00 0.00 H new ATOM 1706 N ALA A 113 9.529 -6.608 3.375 1.00 0.00 N ATOM 1707 CA ALA A 113 9.055 -6.935 4.741 1.00 0.00 C ATOM 1708 C ALA A 113 7.773 -6.154 5.121 1.00 0.00 C ATOM 1709 O ALA A 113 6.920 -6.677 5.852 1.00 0.00 O ATOM 1710 CB ALA A 113 10.175 -6.658 5.752 1.00 0.00 C ATOM 0 H ALA A 113 10.449 -6.169 3.355 1.00 0.00 H new ATOM 0 HA ALA A 113 8.796 -7.993 4.761 1.00 0.00 H new ATOM 0 HB1 ALA A 113 9.826 -6.898 6.756 1.00 0.00 H new ATOM 0 HB2 ALA A 113 11.042 -7.273 5.512 1.00 0.00 H new ATOM 0 HB3 ALA A 113 10.454 -5.605 5.707 1.00 0.00 H new ATOM 1716 N ASP A 114 7.633 -4.911 4.598 1.00 0.00 N ATOM 1717 CA ASP A 114 6.430 -4.096 4.814 1.00 0.00 C ATOM 1718 C ASP A 114 5.250 -4.655 3.983 1.00 0.00 C ATOM 1719 O ASP A 114 4.097 -4.641 4.430 1.00 0.00 O ATOM 1720 CB ASP A 114 6.712 -2.614 4.450 1.00 0.00 C ATOM 1721 CG ASP A 114 7.921 -2.007 5.201 1.00 0.00 C ATOM 1722 OD1 ASP A 114 8.096 -2.285 6.409 1.00 0.00 O ATOM 1723 OD2 ASP A 114 8.692 -1.237 4.595 1.00 0.00 O ATOM 0 H ASP A 114 8.344 -4.458 4.024 1.00 0.00 H new ATOM 0 HA ASP A 114 6.157 -4.141 5.868 1.00 0.00 H new ATOM 0 HB2 ASP A 114 6.888 -2.540 3.377 1.00 0.00 H new ATOM 0 HB3 ASP A 114 5.824 -2.020 4.669 1.00 0.00 H new ATOM 1728 N LEU A 115 5.582 -5.200 2.787 1.00 0.00 N ATOM 1729 CA LEU A 115 4.607 -5.805 1.866 1.00 0.00 C ATOM 1730 C LEU A 115 4.034 -7.107 2.460 1.00 0.00 C ATOM 1731 O LEU A 115 2.840 -7.208 2.691 1.00 0.00 O ATOM 1732 CB LEU A 115 5.289 -6.103 0.503 1.00 0.00 C ATOM 1733 CG LEU A 115 5.837 -4.862 -0.257 1.00 0.00 C ATOM 1734 CD1 LEU A 115 6.665 -5.252 -1.490 1.00 0.00 C ATOM 1735 CD2 LEU A 115 4.702 -3.923 -0.664 1.00 0.00 C ATOM 0 H LEU A 115 6.540 -5.229 2.439 1.00 0.00 H new ATOM 0 HA LEU A 115 3.787 -5.103 1.716 1.00 0.00 H new ATOM 0 HB2 LEU A 115 6.113 -6.796 0.673 1.00 0.00 H new ATOM 0 HB3 LEU A 115 4.571 -6.613 -0.139 1.00 0.00 H new ATOM 0 HG LEU A 115 6.499 -4.341 0.434 1.00 0.00 H new ATOM 0 HD11 LEU A 115 7.025 -4.351 -1.986 1.00 0.00 H new ATOM 0 HD12 LEU A 115 7.515 -5.860 -1.180 1.00 0.00 H new ATOM 0 HD13 LEU A 115 6.043 -5.822 -2.180 1.00 0.00 H new ATOM 0 HD21 LEU A 115 5.113 -3.064 -1.194 1.00 0.00 H new ATOM 0 HD22 LEU A 115 4.007 -4.453 -1.316 1.00 0.00 H new ATOM 0 HD23 LEU A 115 4.175 -3.582 0.227 1.00 0.00 H new ATOM 1747 N GLN A 116 4.939 -8.050 2.783 1.00 0.00 N ATOM 1748 CA GLN A 116 4.597 -9.442 3.184 1.00 0.00 C ATOM 1749 C GLN A 116 3.815 -9.493 4.506 1.00 0.00 C ATOM 1750 O GLN A 116 2.995 -10.394 4.716 1.00 0.00 O ATOM 1751 CB GLN A 116 5.887 -10.295 3.290 1.00 0.00 C ATOM 1752 CG GLN A 116 6.716 -10.361 1.982 1.00 0.00 C ATOM 1753 CD GLN A 116 7.308 -11.747 1.664 1.00 0.00 C ATOM 1754 OE1 GLN A 116 7.603 -12.537 2.556 1.00 0.00 O ATOM 1755 NE2 GLN A 116 7.504 -12.043 0.392 1.00 0.00 N ATOM 0 H GLN A 116 5.943 -7.872 2.775 1.00 0.00 H new ATOM 0 HA GLN A 116 3.948 -9.854 2.411 1.00 0.00 H new ATOM 0 HB2 GLN A 116 6.514 -9.888 4.084 1.00 0.00 H new ATOM 0 HB3 GLN A 116 5.616 -11.308 3.586 1.00 0.00 H new ATOM 0 HG2 GLN A 116 6.082 -10.052 1.151 1.00 0.00 H new ATOM 0 HG3 GLN A 116 7.530 -9.639 2.047 1.00 0.00 H new ATOM 0 HE21 GLN A 116 7.251 -11.371 -0.333 1.00 0.00 H new ATOM 0 HE22 GLN A 116 7.908 -12.943 0.134 1.00 0.00 H new ATOM 1764 N ALA A 117 4.096 -8.517 5.385 1.00 0.00 N ATOM 1765 CA ALA A 117 3.335 -8.288 6.639 1.00 0.00 C ATOM 1766 C ALA A 117 1.795 -8.171 6.402 1.00 0.00 C ATOM 1767 O ALA A 117 0.997 -8.513 7.282 1.00 0.00 O ATOM 1768 CB ALA A 117 3.873 -7.025 7.330 1.00 0.00 C ATOM 0 H ALA A 117 4.862 -7.857 5.251 1.00 0.00 H new ATOM 0 HA ALA A 117 3.479 -9.158 7.280 1.00 0.00 H new ATOM 0 HB1 ALA A 117 3.319 -6.851 8.252 1.00 0.00 H new ATOM 0 HB2 ALA A 117 4.930 -7.159 7.562 1.00 0.00 H new ATOM 0 HB3 ALA A 117 3.753 -6.168 6.667 1.00 0.00 H new ATOM 1774 N HIS A 118 1.397 -7.661 5.209 1.00 0.00 N ATOM 1775 CA HIS A 118 -0.030 -7.482 4.816 1.00 0.00 C ATOM 1776 C HIS A 118 -0.311 -7.954 3.351 1.00 0.00 C ATOM 1777 O HIS A 118 -1.261 -7.479 2.718 1.00 0.00 O ATOM 1778 CB HIS A 118 -0.440 -5.988 4.989 1.00 0.00 C ATOM 1779 CG HIS A 118 -0.464 -5.515 6.420 1.00 0.00 C ATOM 1780 ND1 HIS A 118 -1.599 -5.539 7.200 1.00 0.00 N ATOM 1781 CD2 HIS A 118 0.513 -5.015 7.212 1.00 0.00 C ATOM 1782 CE1 HIS A 118 -1.324 -5.077 8.400 1.00 0.00 C ATOM 1783 NE2 HIS A 118 -0.051 -4.753 8.436 1.00 0.00 N ATOM 0 H HIS A 118 2.055 -7.361 4.490 1.00 0.00 H new ATOM 0 HA HIS A 118 -0.632 -8.110 5.473 1.00 0.00 H new ATOM 0 HB2 HIS A 118 0.253 -5.365 4.424 1.00 0.00 H new ATOM 0 HB3 HIS A 118 -1.428 -5.841 4.553 1.00 0.00 H new ATOM 0 HD2 HIS A 118 1.544 -4.852 6.933 1.00 0.00 H new ATOM 0 HE1 HIS A 118 -2.024 -4.980 9.216 1.00 0.00 H new ATOM 0 HE2 HIS A 118 0.439 -4.369 9.244 1.00 0.00 H new ATOM 1792 N ALA A 119 0.476 -8.927 2.830 1.00 0.00 N ATOM 1793 CA ALA A 119 0.331 -9.405 1.419 1.00 0.00 C ATOM 1794 C ALA A 119 0.181 -10.935 1.287 1.00 0.00 C ATOM 1795 O ALA A 119 0.388 -11.687 2.245 1.00 0.00 O ATOM 1796 CB ALA A 119 1.519 -8.934 0.574 1.00 0.00 C ATOM 0 H ALA A 119 1.214 -9.397 3.355 1.00 0.00 H new ATOM 0 HA ALA A 119 -0.598 -8.968 1.053 1.00 0.00 H new ATOM 0 HB1 ALA A 119 1.401 -9.289 -0.450 1.00 0.00 H new ATOM 0 HB2 ALA A 119 1.559 -7.845 0.578 1.00 0.00 H new ATOM 0 HB3 ALA A 119 2.443 -9.333 0.992 1.00 0.00 H new