USER MOD reduce.3.24.130724 H: found=0, std=0, add=444, rem=0, adj=13 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 40 THR OG1 : rot -130:sc= -0.467 USER MOD Set 1.2: A 105 SER OG : rot 180:sc= 0 USER MOD Single : A 42 CYS SG : rot 10:sc= -1.44! USER MOD Single : A 45 MET CE :methyl 158:sc= -2.78! (180deg=-4.07!) USER MOD Single : A 46 THR OG1 : rot -158:sc= 0.15 USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 79 CYS SG : rot 89:sc= 0.979 USER MOD Single : A 81 CYS SG : rot 180:sc= 0.00576 USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 86 GLN : amide:sc=-0.00966 K(o=-0.0097,f=-2!) USER MOD Single : A 93 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 100 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 101 SER OG : rot 180:sc=-0.00179 USER MOD Single : A 102 THR OG1 : rot -82:sc= -0.116 USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 109 TYR OH : rot 180:sc= 0 USER MOD Single : A 111 SER OG : rot -81:sc= 0.576 USER MOD Single : A 116 GLN : amide:sc=-0.000144 X(o=-0.00014,f=-0.26) USER MOD Single : A 118 HIS : no HD1:sc= -0.299 K(o=-0.3,f=-1.2) USER MOD ----------------------------------------------------------------- ATOM 567 N THR A 40 7.587 0.123 -11.338 1.00 0.00 N ATOM 568 CA THR A 40 6.285 -0.575 -11.456 1.00 0.00 C ATOM 569 C THR A 40 5.724 -0.945 -10.064 1.00 0.00 C ATOM 570 O THR A 40 6.334 -1.711 -9.303 1.00 0.00 O ATOM 571 CB THR A 40 6.411 -1.881 -12.327 1.00 0.00 C ATOM 572 OG1 THR A 40 7.198 -2.877 -11.655 1.00 0.00 O ATOM 573 CG2 THR A 40 7.068 -1.598 -13.675 1.00 0.00 C ATOM 0 HA THR A 40 5.599 0.114 -11.948 1.00 0.00 H new ATOM 0 HB THR A 40 5.395 -2.244 -12.483 1.00 0.00 H new ATOM 0 HG1 THR A 40 7.887 -3.215 -12.264 1.00 0.00 H new ATOM 0 HG21 THR A 40 7.137 -2.523 -14.247 1.00 0.00 H new ATOM 0 HG22 THR A 40 6.469 -0.874 -14.227 1.00 0.00 H new ATOM 0 HG23 THR A 40 8.068 -1.195 -13.515 1.00 0.00 H new ATOM 581 N VAL A 41 4.573 -0.339 -9.720 1.00 0.00 N ATOM 582 CA VAL A 41 3.834 -0.631 -8.476 1.00 0.00 C ATOM 583 C VAL A 41 2.361 -0.968 -8.804 1.00 0.00 C ATOM 584 O VAL A 41 1.686 -0.204 -9.502 1.00 0.00 O ATOM 585 CB VAL A 41 3.846 0.577 -7.456 1.00 0.00 C ATOM 586 CG1 VAL A 41 3.259 0.133 -6.084 1.00 0.00 C ATOM 587 CG2 VAL A 41 5.260 1.205 -7.299 1.00 0.00 C ATOM 0 H VAL A 41 4.126 0.371 -10.300 1.00 0.00 H new ATOM 0 HA VAL A 41 4.339 -1.477 -8.010 1.00 0.00 H new ATOM 0 HB VAL A 41 3.209 1.361 -7.865 1.00 0.00 H new ATOM 0 HG11 VAL A 41 3.274 0.975 -5.392 1.00 0.00 H new ATOM 0 HG12 VAL A 41 2.232 -0.207 -6.220 1.00 0.00 H new ATOM 0 HG13 VAL A 41 3.859 -0.681 -5.678 1.00 0.00 H new ATOM 0 HG21 VAL A 41 5.215 2.030 -6.588 1.00 0.00 H new ATOM 0 HG22 VAL A 41 5.955 0.449 -6.934 1.00 0.00 H new ATOM 0 HG23 VAL A 41 5.602 1.577 -8.265 1.00 0.00 H new ATOM 597 N CYS A 42 1.876 -2.108 -8.299 1.00 0.00 N ATOM 598 CA CYS A 42 0.438 -2.451 -8.307 1.00 0.00 C ATOM 599 C CYS A 42 0.067 -3.035 -6.936 1.00 0.00 C ATOM 600 O CYS A 42 0.448 -4.158 -6.616 1.00 0.00 O ATOM 601 CB CYS A 42 0.116 -3.450 -9.442 1.00 0.00 C ATOM 602 SG CYS A 42 0.369 -2.770 -11.096 1.00 0.00 S ATOM 0 H CYS A 42 2.465 -2.823 -7.872 1.00 0.00 H new ATOM 0 HA CYS A 42 -0.152 -1.554 -8.492 1.00 0.00 H new ATOM 0 HB2 CYS A 42 0.740 -4.336 -9.323 1.00 0.00 H new ATOM 0 HB3 CYS A 42 -0.920 -3.775 -9.346 1.00 0.00 H new ATOM 0 HG CYS A 42 0.974 -1.623 -11.006 1.00 0.00 H new ATOM 608 N ALA A 43 -0.695 -2.263 -6.147 1.00 0.00 N ATOM 609 CA ALA A 43 -0.984 -2.558 -4.729 1.00 0.00 C ATOM 610 C ALA A 43 -2.444 -2.212 -4.430 1.00 0.00 C ATOM 611 O ALA A 43 -3.016 -1.330 -5.082 1.00 0.00 O ATOM 612 CB ALA A 43 -0.033 -1.759 -3.815 1.00 0.00 C ATOM 0 H ALA A 43 -1.135 -1.404 -6.477 1.00 0.00 H new ATOM 0 HA ALA A 43 -0.825 -3.619 -4.536 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -0.256 -1.985 -2.772 1.00 0.00 H new ATOM 0 HB2 ALA A 43 0.999 -2.035 -4.034 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -0.169 -0.692 -3.992 1.00 0.00 H new ATOM 618 N GLU A 44 -3.065 -2.909 -3.472 1.00 0.00 N ATOM 619 CA GLU A 44 -4.487 -2.688 -3.160 1.00 0.00 C ATOM 620 C GLU A 44 -4.680 -2.120 -1.742 1.00 0.00 C ATOM 621 O GLU A 44 -4.213 -2.700 -0.755 1.00 0.00 O ATOM 622 CB GLU A 44 -5.300 -3.990 -3.324 1.00 0.00 C ATOM 623 CG GLU A 44 -6.792 -3.716 -3.513 1.00 0.00 C ATOM 624 CD GLU A 44 -7.657 -4.984 -3.502 1.00 0.00 C ATOM 625 OE1 GLU A 44 -7.815 -5.618 -4.564 1.00 0.00 O ATOM 626 OE2 GLU A 44 -8.172 -5.346 -2.426 1.00 0.00 O ATOM 0 H GLU A 44 -2.613 -3.625 -2.903 1.00 0.00 H new ATOM 0 HA GLU A 44 -4.857 -1.950 -3.872 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -4.923 -4.547 -4.182 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -5.156 -4.620 -2.446 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -7.133 -3.047 -2.723 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -6.940 -3.194 -4.458 1.00 0.00 H new ATOM 633 N MET A 45 -5.367 -0.970 -1.671 1.00 0.00 N ATOM 634 CA MET A 45 -5.734 -0.307 -0.413 1.00 0.00 C ATOM 635 C MET A 45 -7.255 -0.449 -0.171 1.00 0.00 C ATOM 636 O MET A 45 -8.046 -0.317 -1.110 1.00 0.00 O ATOM 637 CB MET A 45 -5.338 1.194 -0.486 1.00 0.00 C ATOM 638 CG MET A 45 -3.917 1.444 -1.024 1.00 0.00 C ATOM 639 SD MET A 45 -2.642 0.789 0.061 1.00 0.00 S ATOM 640 CE MET A 45 -2.918 1.787 1.517 1.00 0.00 C ATOM 0 H MET A 45 -5.687 -0.468 -2.499 1.00 0.00 H new ATOM 0 HA MET A 45 -5.203 -0.776 0.416 1.00 0.00 H new ATOM 0 HB2 MET A 45 -6.053 1.717 -1.122 1.00 0.00 H new ATOM 0 HB3 MET A 45 -5.420 1.629 0.510 1.00 0.00 H new ATOM 0 HG2 MET A 45 -3.820 0.988 -2.009 1.00 0.00 H new ATOM 0 HG3 MET A 45 -3.764 2.516 -1.152 1.00 0.00 H new ATOM 0 HE1 MET A 45 -2.509 1.278 2.390 1.00 0.00 H new ATOM 0 HE2 MET A 45 -2.426 2.752 1.395 1.00 0.00 H new ATOM 0 HE3 MET A 45 -3.988 1.941 1.655 1.00 0.00 H new ATOM 650 N THR A 46 -7.652 -0.724 1.087 1.00 0.00 N ATOM 651 CA THR A 46 -9.081 -0.763 1.491 1.00 0.00 C ATOM 652 C THR A 46 -9.576 0.653 1.855 1.00 0.00 C ATOM 653 O THR A 46 -8.774 1.523 2.234 1.00 0.00 O ATOM 654 CB THR A 46 -9.347 -1.740 2.695 1.00 0.00 C ATOM 655 OG1 THR A 46 -10.743 -1.705 3.063 1.00 0.00 O ATOM 656 CG2 THR A 46 -8.483 -1.411 3.927 1.00 0.00 C ATOM 0 H THR A 46 -7.003 -0.924 1.848 1.00 0.00 H new ATOM 0 HA THR A 46 -9.636 -1.142 0.633 1.00 0.00 H new ATOM 0 HB THR A 46 -9.072 -2.739 2.358 1.00 0.00 H new ATOM 0 HG1 THR A 46 -10.845 -2.011 3.988 1.00 0.00 H new ATOM 0 HG21 THR A 46 -8.707 -2.116 4.727 1.00 0.00 H new ATOM 0 HG22 THR A 46 -7.428 -1.486 3.662 1.00 0.00 H new ATOM 0 HG23 THR A 46 -8.701 -0.398 4.264 1.00 0.00 H new ATOM 664 N GLU A 47 -10.908 0.862 1.760 1.00 0.00 N ATOM 665 CA GLU A 47 -11.537 2.185 1.985 1.00 0.00 C ATOM 666 C GLU A 47 -11.287 2.697 3.419 1.00 0.00 C ATOM 667 O GLU A 47 -11.236 3.896 3.644 1.00 0.00 O ATOM 668 CB GLU A 47 -13.058 2.166 1.683 1.00 0.00 C ATOM 669 CG GLU A 47 -13.702 3.574 1.696 1.00 0.00 C ATOM 670 CD GLU A 47 -15.222 3.572 1.487 1.00 0.00 C ATOM 671 OE1 GLU A 47 -15.951 3.049 2.357 1.00 0.00 O ATOM 672 OE2 GLU A 47 -15.694 4.106 0.460 1.00 0.00 O ATOM 0 H GLU A 47 -11.574 0.125 1.527 1.00 0.00 H new ATOM 0 HA GLU A 47 -11.063 2.873 1.285 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -13.222 1.708 0.708 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -13.560 1.538 2.419 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -13.478 4.055 2.648 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -13.240 4.180 0.916 1.00 0.00 H new ATOM 679 N GLU A 48 -11.138 1.752 4.366 1.00 0.00 N ATOM 680 CA GLU A 48 -10.848 2.037 5.798 1.00 0.00 C ATOM 681 C GLU A 48 -9.681 3.048 5.961 1.00 0.00 C ATOM 682 O GLU A 48 -9.785 4.018 6.724 1.00 0.00 O ATOM 683 CB GLU A 48 -10.510 0.701 6.507 1.00 0.00 C ATOM 684 CG GLU A 48 -11.615 -0.364 6.380 1.00 0.00 C ATOM 685 CD GLU A 48 -11.188 -1.747 6.890 1.00 0.00 C ATOM 686 OE1 GLU A 48 -11.202 -1.977 8.119 1.00 0.00 O ATOM 687 OE2 GLU A 48 -10.813 -2.612 6.066 1.00 0.00 O ATOM 0 H GLU A 48 -11.215 0.755 4.164 1.00 0.00 H new ATOM 0 HA GLU A 48 -11.728 2.494 6.252 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -9.585 0.303 6.091 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -10.326 0.897 7.563 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -12.493 -0.035 6.936 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -11.912 -0.446 5.335 1.00 0.00 H new ATOM 694 N PHE A 49 -8.589 2.823 5.202 1.00 0.00 N ATOM 695 CA PHE A 49 -7.444 3.755 5.159 1.00 0.00 C ATOM 696 C PHE A 49 -7.738 5.012 4.286 1.00 0.00 C ATOM 697 O PHE A 49 -7.322 6.111 4.639 1.00 0.00 O ATOM 698 CB PHE A 49 -6.153 3.049 4.665 1.00 0.00 C ATOM 699 CG PHE A 49 -4.946 3.993 4.642 1.00 0.00 C ATOM 700 CD1 PHE A 49 -4.391 4.461 5.837 1.00 0.00 C ATOM 701 CD2 PHE A 49 -4.413 4.467 3.439 1.00 0.00 C ATOM 702 CE1 PHE A 49 -3.338 5.357 5.826 1.00 0.00 C ATOM 703 CE2 PHE A 49 -3.366 5.369 3.436 1.00 0.00 C ATOM 704 CZ PHE A 49 -2.829 5.812 4.627 1.00 0.00 C ATOM 0 H PHE A 49 -8.476 2.001 4.609 1.00 0.00 H new ATOM 0 HA PHE A 49 -7.285 4.092 6.183 1.00 0.00 H new ATOM 0 HB2 PHE A 49 -5.935 2.200 5.313 1.00 0.00 H new ATOM 0 HB3 PHE A 49 -6.319 2.651 3.664 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -4.790 4.118 6.780 1.00 0.00 H new ATOM 0 HD2 PHE A 49 -4.825 4.124 2.501 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -2.913 5.701 6.757 1.00 0.00 H new ATOM 0 HE2 PHE A 49 -2.967 5.728 2.499 1.00 0.00 H new ATOM 0 HZ PHE A 49 -2.010 6.515 4.621 1.00 0.00 H new ATOM 714 N LEU A 50 -8.422 4.830 3.134 1.00 0.00 N ATOM 715 CA LEU A 50 -8.722 5.947 2.175 1.00 0.00 C ATOM 716 C LEU A 50 -9.656 7.026 2.793 1.00 0.00 C ATOM 717 O LEU A 50 -9.622 8.195 2.389 1.00 0.00 O ATOM 718 CB LEU A 50 -9.289 5.388 0.826 1.00 0.00 C ATOM 719 CG LEU A 50 -8.228 4.905 -0.211 1.00 0.00 C ATOM 720 CD1 LEU A 50 -7.328 3.807 0.364 1.00 0.00 C ATOM 721 CD2 LEU A 50 -8.904 4.460 -1.529 1.00 0.00 C ATOM 0 H LEU A 50 -8.782 3.924 2.835 1.00 0.00 H new ATOM 0 HA LEU A 50 -7.779 6.449 1.959 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -9.954 4.554 1.051 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -9.897 6.164 0.360 1.00 0.00 H new ATOM 0 HG LEU A 50 -7.582 5.753 -0.440 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -6.603 3.499 -0.390 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -6.802 4.189 1.239 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -7.938 2.951 0.653 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -8.142 4.128 -2.235 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -9.593 3.640 -1.326 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -9.454 5.298 -1.957 1.00 0.00 H new ATOM 733 N LEU A 51 -10.471 6.614 3.777 1.00 0.00 N ATOM 734 CA LEU A 51 -11.299 7.524 4.587 1.00 0.00 C ATOM 735 C LEU A 51 -10.406 8.287 5.594 1.00 0.00 C ATOM 736 O LEU A 51 -10.496 9.508 5.701 1.00 0.00 O ATOM 737 CB LEU A 51 -12.413 6.731 5.324 1.00 0.00 C ATOM 738 CG LEU A 51 -13.471 6.033 4.414 1.00 0.00 C ATOM 739 CD1 LEU A 51 -14.443 5.158 5.238 1.00 0.00 C ATOM 740 CD2 LEU A 51 -14.228 7.058 3.535 1.00 0.00 C ATOM 0 H LEU A 51 -10.575 5.633 4.035 1.00 0.00 H new ATOM 0 HA LEU A 51 -11.781 8.249 3.930 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -11.940 5.971 5.946 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -12.934 7.414 5.995 1.00 0.00 H new ATOM 0 HG LEU A 51 -12.932 5.366 3.741 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -15.165 4.688 4.570 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -13.881 4.387 5.765 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -14.969 5.781 5.961 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -14.957 6.537 2.914 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -14.743 7.775 4.174 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -13.518 7.584 2.897 1.00 0.00 H new ATOM 752 N PHE A 52 -9.521 7.544 6.303 1.00 0.00 N ATOM 753 CA PHE A 52 -8.511 8.127 7.234 1.00 0.00 C ATOM 754 C PHE A 52 -7.562 9.129 6.509 1.00 0.00 C ATOM 755 O PHE A 52 -7.111 10.100 7.112 1.00 0.00 O ATOM 756 CB PHE A 52 -7.699 6.982 7.922 1.00 0.00 C ATOM 757 CG PHE A 52 -6.481 7.450 8.739 1.00 0.00 C ATOM 758 CD1 PHE A 52 -6.638 8.271 9.861 1.00 0.00 C ATOM 759 CD2 PHE A 52 -5.180 7.086 8.370 1.00 0.00 C ATOM 760 CE1 PHE A 52 -5.540 8.711 10.578 1.00 0.00 C ATOM 761 CE2 PHE A 52 -4.086 7.524 9.093 1.00 0.00 C ATOM 762 CZ PHE A 52 -4.265 8.337 10.194 1.00 0.00 C ATOM 0 H PHE A 52 -9.483 6.526 6.249 1.00 0.00 H new ATOM 0 HA PHE A 52 -9.043 8.693 7.999 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -8.368 6.427 8.580 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -7.358 6.287 7.155 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -7.630 8.565 10.171 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -5.029 6.454 7.508 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -5.679 9.348 11.439 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -3.090 7.230 8.796 1.00 0.00 H new ATOM 0 HZ PHE A 52 -3.409 8.681 10.756 1.00 0.00 H new ATOM 772 N SER A 53 -7.289 8.880 5.212 1.00 0.00 N ATOM 773 CA SER A 53 -6.450 9.769 4.363 1.00 0.00 C ATOM 774 C SER A 53 -7.073 11.182 4.261 1.00 0.00 C ATOM 775 O SER A 53 -6.360 12.189 4.232 1.00 0.00 O ATOM 776 CB SER A 53 -6.279 9.155 2.950 1.00 0.00 C ATOM 777 OG SER A 53 -5.419 9.932 2.118 1.00 0.00 O ATOM 0 H SER A 53 -7.641 8.060 4.718 1.00 0.00 H new ATOM 0 HA SER A 53 -5.469 9.861 4.829 1.00 0.00 H new ATOM 0 HB2 SER A 53 -5.876 8.146 3.042 1.00 0.00 H new ATOM 0 HB3 SER A 53 -7.256 9.066 2.475 1.00 0.00 H new ATOM 0 HG SER A 53 -5.341 9.505 1.239 1.00 0.00 H new ATOM 1109 N ALA A 74 -10.950 2.194 -3.603 1.00 0.00 N ATOM 1110 CA ALA A 74 -10.504 1.026 -2.827 1.00 0.00 C ATOM 1111 C ALA A 74 -10.811 -0.292 -3.573 1.00 0.00 C ATOM 1112 O ALA A 74 -11.972 -0.575 -3.888 1.00 0.00 O ATOM 1113 CB ALA A 74 -11.180 1.037 -1.456 1.00 0.00 C ATOM 0 HA ALA A 74 -9.423 1.086 -2.697 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -10.850 0.172 -0.881 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -10.911 1.950 -0.925 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -12.262 0.997 -1.583 1.00 0.00 H new ATOM 1119 N GLY A 75 -9.772 -1.108 -3.810 1.00 0.00 N ATOM 1120 CA GLY A 75 -9.899 -2.341 -4.614 1.00 0.00 C ATOM 1121 C GLY A 75 -9.198 -2.258 -5.979 1.00 0.00 C ATOM 1122 O GLY A 75 -9.052 -3.273 -6.671 1.00 0.00 O ATOM 0 H GLY A 75 -8.830 -0.938 -3.456 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -9.483 -3.177 -4.051 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -10.956 -2.556 -4.770 1.00 0.00 H new ATOM 1126 N ASP A 76 -8.757 -1.049 -6.369 1.00 0.00 N ATOM 1127 CA ASP A 76 -8.074 -0.811 -7.659 1.00 0.00 C ATOM 1128 C ASP A 76 -6.549 -1.091 -7.548 1.00 0.00 C ATOM 1129 O ASP A 76 -5.743 -0.182 -7.307 1.00 0.00 O ATOM 1130 CB ASP A 76 -8.362 0.639 -8.139 1.00 0.00 C ATOM 1131 CG ASP A 76 -9.862 0.883 -8.408 1.00 0.00 C ATOM 1132 OD1 ASP A 76 -10.640 1.007 -7.439 1.00 0.00 O ATOM 1133 OD2 ASP A 76 -10.274 0.926 -9.590 1.00 0.00 O ATOM 0 H ASP A 76 -8.863 -0.208 -5.801 1.00 0.00 H new ATOM 0 HA ASP A 76 -8.465 -1.505 -8.403 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -8.011 1.344 -7.386 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -7.796 0.837 -9.049 1.00 0.00 H new ATOM 1138 N ARG A 77 -6.169 -2.379 -7.695 1.00 0.00 N ATOM 1139 CA ARG A 77 -4.748 -2.810 -7.625 1.00 0.00 C ATOM 1140 C ARG A 77 -4.033 -2.656 -9.004 1.00 0.00 C ATOM 1141 O ARG A 77 -3.920 -3.610 -9.775 1.00 0.00 O ATOM 1142 CB ARG A 77 -4.625 -4.283 -7.053 1.00 0.00 C ATOM 1143 CG ARG A 77 -5.807 -5.263 -7.353 1.00 0.00 C ATOM 1144 CD ARG A 77 -6.031 -5.566 -8.848 1.00 0.00 C ATOM 1145 NE ARG A 77 -7.200 -6.434 -9.081 1.00 0.00 N ATOM 1146 CZ ARG A 77 -8.043 -6.330 -10.084 1.00 0.00 C ATOM 1147 NH1 ARG A 77 -7.944 -5.377 -10.963 1.00 0.00 N ATOM 1148 NH2 ARG A 77 -9.009 -7.175 -10.186 1.00 0.00 N ATOM 0 H ARG A 77 -6.825 -3.142 -7.863 1.00 0.00 H new ATOM 0 HA ARG A 77 -4.234 -2.148 -6.928 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -3.710 -4.725 -7.449 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -4.506 -4.217 -5.972 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -5.624 -6.202 -6.830 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -6.724 -4.841 -6.941 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -6.165 -4.629 -9.389 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -5.141 -6.045 -9.255 1.00 0.00 H new ATOM 0 HE ARG A 77 -7.369 -7.179 -8.406 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -7.198 -4.686 -10.884 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -8.612 -5.321 -11.731 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -9.114 -7.916 -9.493 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -9.669 -7.104 -10.960 1.00 0.00 H new ATOM 1162 N TRP A 78 -3.503 -1.441 -9.258 1.00 0.00 N ATOM 1163 CA TRP A 78 -2.791 -1.093 -10.516 1.00 0.00 C ATOM 1164 C TRP A 78 -2.340 0.381 -10.460 1.00 0.00 C ATOM 1165 O TRP A 78 -3.178 1.272 -10.270 1.00 0.00 O ATOM 1166 CB TRP A 78 -3.684 -1.325 -11.777 1.00 0.00 C ATOM 1167 CG TRP A 78 -2.942 -1.184 -13.091 1.00 0.00 C ATOM 1168 CD1 TRP A 78 -2.051 -2.072 -13.627 1.00 0.00 C ATOM 1169 CD2 TRP A 78 -3.039 -0.101 -14.032 1.00 0.00 C ATOM 1170 NE1 TRP A 78 -1.586 -1.605 -14.829 1.00 0.00 N ATOM 1171 CE2 TRP A 78 -2.180 -0.399 -15.101 1.00 0.00 C ATOM 1172 CE3 TRP A 78 -3.773 1.092 -14.067 1.00 0.00 C ATOM 1173 CZ2 TRP A 78 -2.029 0.446 -16.199 1.00 0.00 C ATOM 1174 CZ3 TRP A 78 -3.624 1.936 -15.155 1.00 0.00 C ATOM 1175 CH2 TRP A 78 -2.757 1.607 -16.210 1.00 0.00 C ATOM 0 H TRP A 78 -3.555 -0.667 -8.596 1.00 0.00 H new ATOM 0 HA TRP A 78 -1.924 -1.748 -10.602 1.00 0.00 H new ATOM 0 HB2 TRP A 78 -4.120 -2.323 -11.723 1.00 0.00 H new ATOM 0 HB3 TRP A 78 -4.511 -0.615 -11.760 1.00 0.00 H new ATOM 0 HD1 TRP A 78 -1.757 -3.005 -13.170 1.00 0.00 H new ATOM 0 HE1 TRP A 78 -0.907 -2.078 -15.425 1.00 0.00 H new ATOM 0 HE3 TRP A 78 -4.443 1.349 -13.260 1.00 0.00 H new ATOM 0 HZ2 TRP A 78 -1.363 0.195 -17.011 1.00 0.00 H new ATOM 0 HZ3 TRP A 78 -4.182 2.860 -15.193 1.00 0.00 H new ATOM 0 HH2 TRP A 78 -2.662 2.283 -17.047 1.00 0.00 H new ATOM 1186 N CYS A 79 -1.014 0.618 -10.611 1.00 0.00 N ATOM 1187 CA CYS A 79 -0.397 1.981 -10.591 1.00 0.00 C ATOM 1188 C CYS A 79 -0.678 2.762 -9.275 1.00 0.00 C ATOM 1189 O CYS A 79 -0.636 4.001 -9.255 1.00 0.00 O ATOM 1190 CB CYS A 79 -0.820 2.795 -11.842 1.00 0.00 C ATOM 1191 SG CYS A 79 -0.225 2.102 -13.409 1.00 0.00 S ATOM 0 H CYS A 79 -0.334 -0.129 -10.751 1.00 0.00 H new ATOM 0 HA CYS A 79 0.683 1.837 -10.623 1.00 0.00 H new ATOM 0 HB2 CYS A 79 -1.908 2.855 -11.873 1.00 0.00 H new ATOM 0 HB3 CYS A 79 -0.447 3.814 -11.743 1.00 0.00 H new ATOM 0 HG CYS A 79 -1.091 1.244 -13.861 1.00 0.00 H new ATOM 1197 N LEU A 80 -0.921 2.012 -8.178 1.00 0.00 N ATOM 1198 CA LEU A 80 -1.115 2.584 -6.827 1.00 0.00 C ATOM 1199 C LEU A 80 0.205 3.227 -6.347 1.00 0.00 C ATOM 1200 O LEU A 80 1.247 2.567 -6.338 1.00 0.00 O ATOM 1201 CB LEU A 80 -1.614 1.466 -5.832 1.00 0.00 C ATOM 1202 CG LEU A 80 -1.978 1.869 -4.341 1.00 0.00 C ATOM 1203 CD1 LEU A 80 -0.749 1.907 -3.392 1.00 0.00 C ATOM 1204 CD2 LEU A 80 -2.779 3.196 -4.289 1.00 0.00 C ATOM 0 H LEU A 80 -0.988 0.995 -8.204 1.00 0.00 H new ATOM 0 HA LEU A 80 -1.880 3.360 -6.860 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -2.497 1.004 -6.273 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -0.842 0.698 -5.786 1.00 0.00 H new ATOM 0 HG LEU A 80 -2.620 1.072 -3.965 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -1.072 2.190 -2.390 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -0.284 0.922 -3.359 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -0.028 2.637 -3.760 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -3.011 3.441 -3.252 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -2.184 3.998 -4.727 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -3.706 3.084 -4.851 1.00 0.00 H new ATOM 1216 N CYS A 81 0.146 4.524 -5.986 1.00 0.00 N ATOM 1217 CA CYS A 81 1.294 5.261 -5.413 1.00 0.00 C ATOM 1218 C CYS A 81 1.721 4.598 -4.081 1.00 0.00 C ATOM 1219 O CYS A 81 1.028 4.731 -3.076 1.00 0.00 O ATOM 1220 CB CYS A 81 0.910 6.745 -5.191 1.00 0.00 C ATOM 1221 SG CYS A 81 0.292 7.586 -6.668 1.00 0.00 S ATOM 0 H CYS A 81 -0.696 5.091 -6.082 1.00 0.00 H new ATOM 0 HA CYS A 81 2.135 5.225 -6.106 1.00 0.00 H new ATOM 0 HB2 CYS A 81 0.149 6.798 -4.412 1.00 0.00 H new ATOM 0 HB3 CYS A 81 1.783 7.282 -4.821 1.00 0.00 H new ATOM 0 HG CYS A 81 -0.002 8.818 -6.375 1.00 0.00 H new ATOM 1227 N ALA A 82 2.858 3.869 -4.105 1.00 0.00 N ATOM 1228 CA ALA A 82 3.299 2.982 -2.995 1.00 0.00 C ATOM 1229 C ALA A 82 3.503 3.710 -1.641 1.00 0.00 C ATOM 1230 O ALA A 82 3.466 3.067 -0.600 1.00 0.00 O ATOM 1231 CB ALA A 82 4.569 2.218 -3.388 1.00 0.00 C ATOM 0 H ALA A 82 3.502 3.876 -4.896 1.00 0.00 H new ATOM 0 HA ALA A 82 2.480 2.281 -2.835 1.00 0.00 H new ATOM 0 HB1 ALA A 82 4.876 1.575 -2.564 1.00 0.00 H new ATOM 0 HB2 ALA A 82 4.369 1.608 -4.269 1.00 0.00 H new ATOM 0 HB3 ALA A 82 5.366 2.927 -3.611 1.00 0.00 H new ATOM 1237 N SER A 83 3.752 5.037 -1.673 1.00 0.00 N ATOM 1238 CA SER A 83 3.879 5.878 -0.445 1.00 0.00 C ATOM 1239 C SER A 83 2.554 5.936 0.373 1.00 0.00 C ATOM 1240 O SER A 83 2.588 6.111 1.590 1.00 0.00 O ATOM 1241 CB SER A 83 4.335 7.306 -0.814 1.00 0.00 C ATOM 1242 OG SER A 83 5.583 7.285 -1.500 1.00 0.00 O ATOM 0 H SER A 83 3.871 5.560 -2.540 1.00 0.00 H new ATOM 0 HA SER A 83 4.633 5.408 0.187 1.00 0.00 H new ATOM 0 HB2 SER A 83 3.580 7.782 -1.440 1.00 0.00 H new ATOM 0 HB3 SER A 83 4.424 7.908 0.090 1.00 0.00 H new ATOM 0 HG SER A 83 5.849 8.201 -1.724 1.00 0.00 H new ATOM 1248 N ARG A 84 1.401 5.827 -0.331 1.00 0.00 N ATOM 1249 CA ARG A 84 0.047 5.671 0.287 1.00 0.00 C ATOM 1250 C ARG A 84 0.014 4.416 1.203 1.00 0.00 C ATOM 1251 O ARG A 84 -0.442 4.458 2.348 1.00 0.00 O ATOM 1252 CB ARG A 84 -1.017 5.522 -0.849 1.00 0.00 C ATOM 1253 CG ARG A 84 -2.502 5.520 -0.404 1.00 0.00 C ATOM 1254 CD ARG A 84 -2.998 6.914 0.055 1.00 0.00 C ATOM 1255 NE ARG A 84 -2.811 7.948 -0.987 1.00 0.00 N ATOM 1256 CZ ARG A 84 -3.667 8.250 -1.948 1.00 0.00 C ATOM 1257 NH1 ARG A 84 -4.789 7.609 -2.093 1.00 0.00 N ATOM 1258 NH2 ARG A 84 -3.385 9.197 -2.777 1.00 0.00 N ATOM 0 H ARG A 84 1.377 5.844 -1.351 1.00 0.00 H new ATOM 0 HA ARG A 84 -0.176 6.550 0.892 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -0.874 6.336 -1.560 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -0.819 4.593 -1.383 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -3.123 5.174 -1.230 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -2.630 4.808 0.411 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -4.054 6.853 0.318 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -2.462 7.209 0.957 1.00 0.00 H new ATOM 0 HE ARG A 84 -1.940 8.478 -0.961 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -5.029 6.850 -1.455 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -5.429 7.865 -2.844 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -2.506 9.707 -2.689 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -4.041 9.436 -3.521 1.00 0.00 H new ATOM 1272 N TRP A 85 0.531 3.314 0.647 1.00 0.00 N ATOM 1273 CA TRP A 85 0.645 2.006 1.319 1.00 0.00 C ATOM 1274 C TRP A 85 1.749 2.012 2.428 1.00 0.00 C ATOM 1275 O TRP A 85 1.540 1.486 3.529 1.00 0.00 O ATOM 1276 CB TRP A 85 0.875 0.924 0.215 1.00 0.00 C ATOM 1277 CG TRP A 85 1.389 -0.401 0.707 1.00 0.00 C ATOM 1278 CD1 TRP A 85 2.448 -1.079 0.203 1.00 0.00 C ATOM 1279 CD2 TRP A 85 0.890 -1.199 1.797 1.00 0.00 C ATOM 1280 NE1 TRP A 85 2.681 -2.201 0.940 1.00 0.00 N ATOM 1281 CE2 TRP A 85 1.734 -2.306 1.905 1.00 0.00 C ATOM 1282 CE3 TRP A 85 -0.170 -1.082 2.697 1.00 0.00 C ATOM 1283 CZ2 TRP A 85 1.564 -3.279 2.872 1.00 0.00 C ATOM 1284 CZ3 TRP A 85 -0.335 -2.055 3.649 1.00 0.00 C ATOM 1285 CH2 TRP A 85 0.529 -3.144 3.728 1.00 0.00 C ATOM 0 H TRP A 85 0.892 3.303 -0.307 1.00 0.00 H new ATOM 0 HA TRP A 85 -0.274 1.771 1.856 1.00 0.00 H new ATOM 0 HB2 TRP A 85 -0.067 0.758 -0.308 1.00 0.00 H new ATOM 0 HB3 TRP A 85 1.580 1.319 -0.516 1.00 0.00 H new ATOM 0 HD1 TRP A 85 3.024 -0.774 -0.658 1.00 0.00 H new ATOM 0 HE1 TRP A 85 3.447 -2.858 0.790 1.00 0.00 H new ATOM 0 HE3 TRP A 85 -0.847 -0.242 2.645 1.00 0.00 H new ATOM 0 HZ2 TRP A 85 2.238 -4.120 2.940 1.00 0.00 H new ATOM 0 HZ3 TRP A 85 -1.151 -1.975 4.352 1.00 0.00 H new ATOM 0 HH2 TRP A 85 0.368 -3.894 4.488 1.00 0.00 H new ATOM 1296 N GLN A 86 2.888 2.650 2.132 1.00 0.00 N ATOM 1297 CA GLN A 86 4.063 2.712 3.037 1.00 0.00 C ATOM 1298 C GLN A 86 3.719 3.462 4.347 1.00 0.00 C ATOM 1299 O GLN A 86 3.979 2.969 5.450 1.00 0.00 O ATOM 1300 CB GLN A 86 5.263 3.378 2.294 1.00 0.00 C ATOM 1301 CG GLN A 86 6.572 3.533 3.108 1.00 0.00 C ATOM 1302 CD GLN A 86 7.130 2.218 3.665 1.00 0.00 C ATOM 1303 OE1 GLN A 86 7.911 1.529 3.017 1.00 0.00 O ATOM 1304 NE2 GLN A 86 6.756 1.876 4.886 1.00 0.00 N ATOM 0 H GLN A 86 3.030 3.145 1.252 1.00 0.00 H new ATOM 0 HA GLN A 86 4.349 1.698 3.316 1.00 0.00 H new ATOM 0 HB2 GLN A 86 5.482 2.791 1.402 1.00 0.00 H new ATOM 0 HB3 GLN A 86 4.951 4.366 1.956 1.00 0.00 H new ATOM 0 HG2 GLN A 86 7.328 3.994 2.473 1.00 0.00 H new ATOM 0 HG3 GLN A 86 6.391 4.217 3.937 1.00 0.00 H new ATOM 0 HE21 GLN A 86 6.105 2.466 5.404 1.00 0.00 H new ATOM 0 HE22 GLN A 86 7.118 1.022 5.310 1.00 0.00 H new ATOM 1313 N GLU A 87 3.085 4.637 4.198 1.00 0.00 N ATOM 1314 CA GLU A 87 2.640 5.472 5.337 1.00 0.00 C ATOM 1315 C GLU A 87 1.493 4.790 6.131 1.00 0.00 C ATOM 1316 O GLU A 87 1.365 5.003 7.337 1.00 0.00 O ATOM 1317 CB GLU A 87 2.205 6.876 4.831 1.00 0.00 C ATOM 1318 CG GLU A 87 1.875 7.889 5.947 1.00 0.00 C ATOM 1319 CD GLU A 87 1.564 9.297 5.418 1.00 0.00 C ATOM 1320 OE1 GLU A 87 2.509 10.094 5.224 1.00 0.00 O ATOM 1321 OE2 GLU A 87 0.379 9.605 5.169 1.00 0.00 O ATOM 0 H GLU A 87 2.864 5.039 3.287 1.00 0.00 H new ATOM 0 HA GLU A 87 3.481 5.589 6.020 1.00 0.00 H new ATOM 0 HB2 GLU A 87 3.001 7.286 4.210 1.00 0.00 H new ATOM 0 HB3 GLU A 87 1.329 6.762 4.192 1.00 0.00 H new ATOM 0 HG2 GLU A 87 1.020 7.525 6.517 1.00 0.00 H new ATOM 0 HG3 GLU A 87 2.717 7.946 6.637 1.00 0.00 H new ATOM 1328 N ALA A 88 0.685 3.952 5.441 1.00 0.00 N ATOM 1329 CA ALA A 88 -0.423 3.189 6.070 1.00 0.00 C ATOM 1330 C ALA A 88 0.101 2.167 7.096 1.00 0.00 C ATOM 1331 O ALA A 88 -0.488 1.992 8.175 1.00 0.00 O ATOM 1332 CB ALA A 88 -1.264 2.479 4.997 1.00 0.00 C ATOM 0 H ALA A 88 0.780 3.785 4.439 1.00 0.00 H new ATOM 0 HA ALA A 88 -1.052 3.903 6.601 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -2.071 1.925 5.475 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -1.685 3.219 4.316 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -0.632 1.789 4.437 1.00 0.00 H new ATOM 1338 N PHE A 89 1.209 1.495 6.736 1.00 0.00 N ATOM 1339 CA PHE A 89 1.895 0.539 7.621 1.00 0.00 C ATOM 1340 C PHE A 89 2.523 1.260 8.832 1.00 0.00 C ATOM 1341 O PHE A 89 2.323 0.853 9.978 1.00 0.00 O ATOM 1342 CB PHE A 89 2.956 -0.255 6.822 1.00 0.00 C ATOM 1343 CG PHE A 89 3.712 -1.308 7.640 1.00 0.00 C ATOM 1344 CD1 PHE A 89 3.085 -2.495 8.027 1.00 0.00 C ATOM 1345 CD2 PHE A 89 5.041 -1.110 8.031 1.00 0.00 C ATOM 1346 CE1 PHE A 89 3.759 -3.441 8.776 1.00 0.00 C ATOM 1347 CE2 PHE A 89 5.711 -2.060 8.783 1.00 0.00 C ATOM 1348 CZ PHE A 89 5.070 -3.225 9.152 1.00 0.00 C ATOM 0 H PHE A 89 1.653 1.600 5.824 1.00 0.00 H new ATOM 0 HA PHE A 89 1.162 -0.167 8.010 1.00 0.00 H new ATOM 0 HB2 PHE A 89 2.466 -0.748 5.983 1.00 0.00 H new ATOM 0 HB3 PHE A 89 3.677 0.447 6.402 1.00 0.00 H new ATOM 0 HD1 PHE A 89 2.060 -2.676 7.737 1.00 0.00 H new ATOM 0 HD2 PHE A 89 5.551 -0.203 7.742 1.00 0.00 H new ATOM 0 HE1 PHE A 89 3.259 -4.352 9.068 1.00 0.00 H new ATOM 0 HE2 PHE A 89 6.735 -1.889 9.081 1.00 0.00 H new ATOM 0 HZ PHE A 89 5.594 -3.968 9.735 1.00 0.00 H new ATOM 1358 N GLU A 90 3.251 2.353 8.553 1.00 0.00 N ATOM 1359 CA GLU A 90 3.923 3.182 9.588 1.00 0.00 C ATOM 1360 C GLU A 90 2.909 3.867 10.547 1.00 0.00 C ATOM 1361 O GLU A 90 3.249 4.185 11.692 1.00 0.00 O ATOM 1362 CB GLU A 90 4.823 4.236 8.889 1.00 0.00 C ATOM 1363 CG GLU A 90 5.934 3.626 8.007 1.00 0.00 C ATOM 1364 CD GLU A 90 6.735 4.683 7.231 1.00 0.00 C ATOM 1365 OE1 GLU A 90 6.258 5.145 6.175 1.00 0.00 O ATOM 1366 OE2 GLU A 90 7.843 5.061 7.669 1.00 0.00 O ATOM 0 H GLU A 90 3.396 2.695 7.603 1.00 0.00 H new ATOM 0 HA GLU A 90 4.535 2.526 10.206 1.00 0.00 H new ATOM 0 HB2 GLU A 90 4.197 4.882 8.273 1.00 0.00 H new ATOM 0 HB3 GLU A 90 5.282 4.868 9.649 1.00 0.00 H new ATOM 0 HG2 GLU A 90 6.615 3.052 8.636 1.00 0.00 H new ATOM 0 HG3 GLU A 90 5.486 2.927 7.301 1.00 0.00 H new ATOM 1373 N ALA A 91 1.666 4.081 10.064 1.00 0.00 N ATOM 1374 CA ALA A 91 0.551 4.638 10.876 1.00 0.00 C ATOM 1375 C ALA A 91 -0.065 3.569 11.819 1.00 0.00 C ATOM 1376 O ALA A 91 -0.699 3.906 12.829 1.00 0.00 O ATOM 1377 CB ALA A 91 -0.526 5.233 9.949 1.00 0.00 C ATOM 0 H ALA A 91 1.403 3.874 9.101 1.00 0.00 H new ATOM 0 HA ALA A 91 0.956 5.429 11.508 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -1.340 5.639 10.550 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -0.088 6.029 9.346 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -0.913 4.453 9.294 1.00 0.00 H new ATOM 1383 N GLY A 92 0.119 2.278 11.465 1.00 0.00 N ATOM 1384 CA GLY A 92 -0.347 1.148 12.293 1.00 0.00 C ATOM 1385 C GLY A 92 -1.598 0.444 11.752 1.00 0.00 C ATOM 1386 O GLY A 92 -2.041 -0.558 12.326 1.00 0.00 O ATOM 0 H GLY A 92 0.590 1.994 10.606 1.00 0.00 H new ATOM 0 HA2 GLY A 92 0.458 0.418 12.378 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -0.555 1.511 13.299 1.00 0.00 H new ATOM 1390 N MET A 93 -2.185 0.977 10.662 1.00 0.00 N ATOM 1391 CA MET A 93 -3.390 0.388 10.021 1.00 0.00 C ATOM 1392 C MET A 93 -2.972 -0.728 9.037 1.00 0.00 C ATOM 1393 O MET A 93 -3.130 -1.918 9.336 1.00 0.00 O ATOM 1394 CB MET A 93 -4.232 1.484 9.293 1.00 0.00 C ATOM 1395 CG MET A 93 -4.735 2.615 10.197 1.00 0.00 C ATOM 1396 SD MET A 93 -3.386 3.613 10.863 1.00 0.00 S ATOM 1397 CE MET A 93 -4.266 4.804 11.867 1.00 0.00 C ATOM 0 H MET A 93 -1.845 1.821 10.200 1.00 0.00 H new ATOM 0 HA MET A 93 -4.018 -0.047 10.799 1.00 0.00 H new ATOM 0 HB2 MET A 93 -3.627 1.917 8.496 1.00 0.00 H new ATOM 0 HB3 MET A 93 -5.090 1.008 8.819 1.00 0.00 H new ATOM 0 HG2 MET A 93 -5.412 3.255 9.631 1.00 0.00 H new ATOM 0 HG3 MET A 93 -5.310 2.191 11.020 1.00 0.00 H new ATOM 0 HE1 MET A 93 -3.553 5.482 12.336 1.00 0.00 H new ATOM 0 HE2 MET A 93 -4.950 5.375 11.239 1.00 0.00 H new ATOM 0 HE3 MET A 93 -4.832 4.282 12.638 1.00 0.00 H new ATOM 1407 N ALA A 94 -2.410 -0.310 7.881 1.00 0.00 N ATOM 1408 CA ALA A 94 -1.901 -1.204 6.821 1.00 0.00 C ATOM 1409 C ALA A 94 -2.968 -2.190 6.239 1.00 0.00 C ATOM 1410 O ALA A 94 -3.230 -3.251 6.820 1.00 0.00 O ATOM 1411 CB ALA A 94 -0.648 -1.951 7.297 1.00 0.00 C ATOM 0 H ALA A 94 -2.296 0.678 7.656 1.00 0.00 H new ATOM 0 HA ALA A 94 -1.634 -0.554 5.988 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -0.289 -2.604 6.501 1.00 0.00 H new ATOM 0 HB2 ALA A 94 0.129 -1.231 7.554 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -0.893 -2.549 8.175 1.00 0.00 H new ATOM 1417 N PRO A 95 -3.630 -1.815 5.098 1.00 0.00 N ATOM 1418 CA PRO A 95 -4.500 -2.739 4.297 1.00 0.00 C ATOM 1419 C PRO A 95 -3.802 -4.054 3.819 1.00 0.00 C ATOM 1420 O PRO A 95 -2.574 -4.143 3.807 1.00 0.00 O ATOM 1421 CB PRO A 95 -4.882 -1.860 3.076 1.00 0.00 C ATOM 1422 CG PRO A 95 -4.847 -0.467 3.611 1.00 0.00 C ATOM 1423 CD PRO A 95 -3.655 -0.437 4.539 1.00 0.00 C ATOM 0 HA PRO A 95 -5.335 -3.104 4.895 1.00 0.00 H new ATOM 0 HB2 PRO A 95 -4.178 -1.990 2.254 1.00 0.00 H new ATOM 0 HB3 PRO A 95 -5.870 -2.116 2.693 1.00 0.00 H new ATOM 0 HG2 PRO A 95 -4.741 0.262 2.808 1.00 0.00 H new ATOM 0 HG3 PRO A 95 -5.767 -0.224 4.142 1.00 0.00 H new ATOM 0 HD2 PRO A 95 -2.734 -0.201 4.005 1.00 0.00 H new ATOM 0 HD3 PRO A 95 -3.771 0.313 5.321 1.00 0.00 H new ATOM 1431 N PRO A 96 -4.586 -5.110 3.428 1.00 0.00 N ATOM 1432 CA PRO A 96 -4.025 -6.309 2.750 1.00 0.00 C ATOM 1433 C PRO A 96 -3.549 -5.984 1.301 1.00 0.00 C ATOM 1434 O PRO A 96 -4.346 -5.573 0.443 1.00 0.00 O ATOM 1435 CB PRO A 96 -5.205 -7.316 2.770 1.00 0.00 C ATOM 1436 CG PRO A 96 -6.437 -6.459 2.836 1.00 0.00 C ATOM 1437 CD PRO A 96 -6.055 -5.239 3.648 1.00 0.00 C ATOM 0 HA PRO A 96 -3.135 -6.700 3.242 1.00 0.00 H new ATOM 0 HB2 PRO A 96 -5.206 -7.943 1.878 1.00 0.00 H new ATOM 0 HB3 PRO A 96 -5.141 -7.984 3.629 1.00 0.00 H new ATOM 0 HG2 PRO A 96 -6.768 -6.175 1.837 1.00 0.00 H new ATOM 0 HG3 PRO A 96 -7.261 -6.997 3.304 1.00 0.00 H new ATOM 0 HD2 PRO A 96 -6.589 -4.351 3.311 1.00 0.00 H new ATOM 0 HD3 PRO A 96 -6.291 -5.371 4.704 1.00 0.00 H new ATOM 1445 N VAL A 97 -2.238 -6.144 1.054 1.00 0.00 N ATOM 1446 CA VAL A 97 -1.605 -5.834 -0.244 1.00 0.00 C ATOM 1447 C VAL A 97 -1.400 -7.133 -1.078 1.00 0.00 C ATOM 1448 O VAL A 97 -1.427 -8.243 -0.545 1.00 0.00 O ATOM 1449 CB VAL A 97 -0.243 -5.059 -0.012 1.00 0.00 C ATOM 1450 CG1 VAL A 97 0.788 -5.920 0.752 1.00 0.00 C ATOM 1451 CG2 VAL A 97 0.361 -4.500 -1.325 1.00 0.00 C ATOM 0 H VAL A 97 -1.582 -6.494 1.752 1.00 0.00 H new ATOM 0 HA VAL A 97 -2.265 -5.184 -0.818 1.00 0.00 H new ATOM 0 HB VAL A 97 -0.490 -4.201 0.613 1.00 0.00 H new ATOM 0 HG11 VAL A 97 1.707 -5.350 0.890 1.00 0.00 H new ATOM 0 HG12 VAL A 97 0.382 -6.195 1.726 1.00 0.00 H new ATOM 0 HG13 VAL A 97 1.003 -6.823 0.180 1.00 0.00 H new ATOM 0 HG21 VAL A 97 1.293 -3.979 -1.104 1.00 0.00 H new ATOM 0 HG22 VAL A 97 0.559 -5.322 -2.013 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -0.343 -3.805 -1.783 1.00 0.00 H new ATOM 1461 N VAL A 98 -1.239 -6.968 -2.392 1.00 0.00 N ATOM 1462 CA VAL A 98 -1.013 -8.078 -3.351 1.00 0.00 C ATOM 1463 C VAL A 98 0.499 -8.351 -3.594 1.00 0.00 C ATOM 1464 O VAL A 98 1.118 -7.660 -4.371 1.00 0.00 O ATOM 1465 CB VAL A 98 -1.732 -7.772 -4.738 1.00 0.00 C ATOM 1466 CG1 VAL A 98 -3.241 -8.046 -4.674 1.00 0.00 C ATOM 1467 CG2 VAL A 98 -1.491 -6.307 -5.201 1.00 0.00 C ATOM 0 H VAL A 98 -1.260 -6.051 -2.838 1.00 0.00 H new ATOM 0 HA VAL A 98 -1.444 -8.974 -2.904 1.00 0.00 H new ATOM 0 HB VAL A 98 -1.286 -8.449 -5.467 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -3.692 -7.824 -5.641 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -3.410 -9.094 -4.426 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -3.693 -7.415 -3.909 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -1.998 -6.138 -6.151 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -1.884 -5.619 -4.452 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -0.422 -6.136 -5.325 1.00 0.00 H new ATOM 1477 N LEU A 99 1.088 -9.376 -2.945 1.00 0.00 N ATOM 1478 CA LEU A 99 2.482 -9.829 -3.270 1.00 0.00 C ATOM 1479 C LEU A 99 2.534 -10.611 -4.609 1.00 0.00 C ATOM 1480 O LEU A 99 3.612 -10.802 -5.190 1.00 0.00 O ATOM 1481 CB LEU A 99 3.110 -10.666 -2.104 1.00 0.00 C ATOM 1482 CG LEU A 99 4.173 -9.919 -1.231 1.00 0.00 C ATOM 1483 CD1 LEU A 99 4.672 -10.802 -0.074 1.00 0.00 C ATOM 1484 CD2 LEU A 99 5.351 -9.406 -2.100 1.00 0.00 C ATOM 0 H LEU A 99 0.638 -9.908 -2.200 1.00 0.00 H new ATOM 0 HA LEU A 99 3.086 -8.929 -3.389 1.00 0.00 H new ATOM 0 HB2 LEU A 99 2.306 -11.008 -1.452 1.00 0.00 H new ATOM 0 HB3 LEU A 99 3.575 -11.555 -2.529 1.00 0.00 H new ATOM 0 HG LEU A 99 3.685 -9.050 -0.790 1.00 0.00 H new ATOM 0 HD11 LEU A 99 5.409 -10.252 0.512 1.00 0.00 H new ATOM 0 HD12 LEU A 99 3.831 -11.075 0.564 1.00 0.00 H new ATOM 0 HD13 LEU A 99 5.130 -11.705 -0.477 1.00 0.00 H new ATOM 0 HD21 LEU A 99 6.073 -8.891 -1.466 1.00 0.00 H new ATOM 0 HD22 LEU A 99 5.835 -10.250 -2.591 1.00 0.00 H new ATOM 0 HD23 LEU A 99 4.973 -8.716 -2.854 1.00 0.00 H new ATOM 1496 N GLN A 100 1.361 -11.064 -5.076 1.00 0.00 N ATOM 1497 CA GLN A 100 1.197 -11.720 -6.390 1.00 0.00 C ATOM 1498 C GLN A 100 1.267 -10.702 -7.570 1.00 0.00 C ATOM 1499 O GLN A 100 1.375 -11.106 -8.732 1.00 0.00 O ATOM 1500 CB GLN A 100 -0.161 -12.474 -6.414 1.00 0.00 C ATOM 1501 CG GLN A 100 -1.402 -11.559 -6.281 1.00 0.00 C ATOM 1502 CD GLN A 100 -2.712 -12.338 -6.190 1.00 0.00 C ATOM 1503 OE1 GLN A 100 -3.337 -12.651 -7.193 1.00 0.00 O ATOM 1504 NE2 GLN A 100 -3.137 -12.651 -4.984 1.00 0.00 N ATOM 0 H GLN A 100 0.490 -10.987 -4.551 1.00 0.00 H new ATOM 0 HA GLN A 100 2.021 -12.421 -6.525 1.00 0.00 H new ATOM 0 HB2 GLN A 100 -0.236 -13.034 -7.346 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -0.173 -13.202 -5.603 1.00 0.00 H new ATOM 0 HG2 GLN A 100 -1.294 -10.936 -5.393 1.00 0.00 H new ATOM 0 HG3 GLN A 100 -1.444 -10.887 -7.138 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -2.595 -12.377 -4.165 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -4.009 -13.168 -4.869 1.00 0.00 H new ATOM 1513 N SER A 101 1.204 -9.383 -7.265 1.00 0.00 N ATOM 1514 CA SER A 101 1.166 -8.312 -8.299 1.00 0.00 C ATOM 1515 C SER A 101 2.243 -7.222 -8.050 1.00 0.00 C ATOM 1516 O SER A 101 2.843 -6.721 -9.011 1.00 0.00 O ATOM 1517 CB SER A 101 -0.245 -7.689 -8.362 1.00 0.00 C ATOM 1518 OG SER A 101 -0.331 -6.659 -9.331 1.00 0.00 O ATOM 0 H SER A 101 1.178 -9.031 -6.308 1.00 0.00 H new ATOM 0 HA SER A 101 1.396 -8.769 -9.261 1.00 0.00 H new ATOM 0 HB2 SER A 101 -0.974 -8.466 -8.594 1.00 0.00 H new ATOM 0 HB3 SER A 101 -0.508 -7.288 -7.383 1.00 0.00 H new ATOM 0 HG SER A 101 -1.240 -6.293 -9.340 1.00 0.00 H new ATOM 1524 N THR A 102 2.458 -6.822 -6.769 1.00 0.00 N ATOM 1525 CA THR A 102 3.593 -5.921 -6.388 1.00 0.00 C ATOM 1526 C THR A 102 4.961 -6.492 -6.844 1.00 0.00 C ATOM 1527 O THR A 102 5.520 -7.397 -6.212 1.00 0.00 O ATOM 1528 CB THR A 102 3.672 -5.611 -4.842 1.00 0.00 C ATOM 1529 OG1 THR A 102 3.751 -6.822 -4.074 1.00 0.00 O ATOM 1530 CG2 THR A 102 2.486 -4.770 -4.345 1.00 0.00 C ATOM 0 H THR A 102 1.869 -7.103 -5.985 1.00 0.00 H new ATOM 0 HA THR A 102 3.382 -4.987 -6.909 1.00 0.00 H new ATOM 0 HB THR A 102 4.581 -5.027 -4.698 1.00 0.00 H new ATOM 0 HG1 THR A 102 2.851 -7.189 -3.949 1.00 0.00 H new ATOM 0 HG21 THR A 102 2.592 -4.587 -3.276 1.00 0.00 H new ATOM 0 HG22 THR A 102 2.467 -3.818 -4.876 1.00 0.00 H new ATOM 0 HG23 THR A 102 1.556 -5.307 -4.531 1.00 0.00 H new ATOM 1538 N GLU A 103 5.453 -5.973 -7.979 1.00 0.00 N ATOM 1539 CA GLU A 103 6.811 -6.255 -8.496 1.00 0.00 C ATOM 1540 C GLU A 103 7.896 -5.670 -7.546 1.00 0.00 C ATOM 1541 O GLU A 103 7.632 -4.710 -6.812 1.00 0.00 O ATOM 1542 CB GLU A 103 6.924 -5.651 -9.931 1.00 0.00 C ATOM 1543 CG GLU A 103 8.289 -5.802 -10.644 1.00 0.00 C ATOM 1544 CD GLU A 103 8.741 -7.263 -10.828 1.00 0.00 C ATOM 1545 OE1 GLU A 103 8.200 -7.962 -11.708 1.00 0.00 O ATOM 1546 OE2 GLU A 103 9.659 -7.709 -10.105 1.00 0.00 O ATOM 0 H GLU A 103 4.919 -5.339 -8.573 1.00 0.00 H new ATOM 0 HA GLU A 103 6.978 -7.331 -8.542 1.00 0.00 H new ATOM 0 HB2 GLU A 103 6.161 -6.114 -10.556 1.00 0.00 H new ATOM 0 HB3 GLU A 103 6.686 -4.589 -9.873 1.00 0.00 H new ATOM 0 HG2 GLU A 103 8.231 -5.324 -11.622 1.00 0.00 H new ATOM 0 HG3 GLU A 103 9.047 -5.267 -10.072 1.00 0.00 H new ATOM 1553 N LYS A 104 9.106 -6.261 -7.569 1.00 0.00 N ATOM 1554 CA LYS A 104 10.276 -5.806 -6.768 1.00 0.00 C ATOM 1555 C LYS A 104 10.634 -4.309 -7.049 1.00 0.00 C ATOM 1556 O LYS A 104 11.235 -3.641 -6.201 1.00 0.00 O ATOM 1557 CB LYS A 104 11.485 -6.774 -7.044 1.00 0.00 C ATOM 1558 CG LYS A 104 12.761 -6.572 -6.165 1.00 0.00 C ATOM 1559 CD LYS A 104 13.763 -5.532 -6.743 1.00 0.00 C ATOM 1560 CE LYS A 104 14.919 -5.218 -5.782 1.00 0.00 C ATOM 1561 NZ LYS A 104 15.854 -4.221 -6.352 1.00 0.00 N ATOM 0 H LYS A 104 9.308 -7.076 -8.147 1.00 0.00 H new ATOM 0 HA LYS A 104 10.025 -5.849 -5.708 1.00 0.00 H new ATOM 0 HB2 LYS A 104 11.138 -7.799 -6.910 1.00 0.00 H new ATOM 0 HB3 LYS A 104 11.773 -6.669 -8.090 1.00 0.00 H new ATOM 0 HG2 LYS A 104 12.457 -6.255 -5.168 1.00 0.00 H new ATOM 0 HG3 LYS A 104 13.270 -7.530 -6.054 1.00 0.00 H new ATOM 0 HD2 LYS A 104 14.170 -5.909 -7.681 1.00 0.00 H new ATOM 0 HD3 LYS A 104 13.229 -4.610 -6.975 1.00 0.00 H new ATOM 0 HE2 LYS A 104 14.517 -4.843 -4.841 1.00 0.00 H new ATOM 0 HE3 LYS A 104 15.461 -6.136 -5.554 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 16.620 -4.036 -5.673 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 16.257 -4.589 -7.237 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 15.342 -3.337 -6.546 1.00 0.00 H new ATOM 1575 N SER A 105 10.233 -3.791 -8.230 1.00 0.00 N ATOM 1576 CA SER A 105 10.416 -2.364 -8.619 1.00 0.00 C ATOM 1577 C SER A 105 9.739 -1.381 -7.624 1.00 0.00 C ATOM 1578 O SER A 105 10.174 -0.227 -7.481 1.00 0.00 O ATOM 1579 CB SER A 105 9.824 -2.148 -10.021 1.00 0.00 C ATOM 1580 OG SER A 105 10.380 -3.035 -10.975 1.00 0.00 O ATOM 0 H SER A 105 9.770 -4.348 -8.948 1.00 0.00 H new ATOM 0 HA SER A 105 11.486 -2.155 -8.607 1.00 0.00 H new ATOM 0 HB2 SER A 105 8.744 -2.287 -9.983 1.00 0.00 H new ATOM 0 HB3 SER A 105 10.002 -1.120 -10.335 1.00 0.00 H new ATOM 0 HG SER A 105 9.977 -2.867 -11.852 1.00 0.00 H new ATOM 1586 N ALA A 106 8.667 -1.863 -6.957 1.00 0.00 N ATOM 1587 CA ALA A 106 7.907 -1.100 -5.935 1.00 0.00 C ATOM 1588 C ALA A 106 8.768 -0.707 -4.706 1.00 0.00 C ATOM 1589 O ALA A 106 8.447 0.262 -4.016 1.00 0.00 O ATOM 1590 CB ALA A 106 6.674 -1.910 -5.477 1.00 0.00 C ATOM 0 H ALA A 106 8.299 -2.802 -7.113 1.00 0.00 H new ATOM 0 HA ALA A 106 7.589 -0.171 -6.409 1.00 0.00 H new ATOM 0 HB1 ALA A 106 6.123 -1.342 -4.727 1.00 0.00 H new ATOM 0 HB2 ALA A 106 6.027 -2.104 -6.333 1.00 0.00 H new ATOM 0 HB3 ALA A 106 7.000 -2.857 -5.047 1.00 0.00 H new ATOM 1596 N LEU A 107 9.866 -1.459 -4.455 1.00 0.00 N ATOM 1597 CA LEU A 107 10.781 -1.238 -3.293 1.00 0.00 C ATOM 1598 C LEU A 107 11.580 0.099 -3.377 1.00 0.00 C ATOM 1599 O LEU A 107 12.346 0.420 -2.462 1.00 0.00 O ATOM 1600 CB LEU A 107 11.755 -2.452 -3.108 1.00 0.00 C ATOM 1601 CG LEU A 107 11.188 -3.723 -2.381 1.00 0.00 C ATOM 1602 CD1 LEU A 107 9.928 -4.298 -3.069 1.00 0.00 C ATOM 1603 CD2 LEU A 107 12.291 -4.804 -2.236 1.00 0.00 C ATOM 0 H LEU A 107 10.149 -2.239 -5.049 1.00 0.00 H new ATOM 0 HA LEU A 107 10.139 -1.158 -2.416 1.00 0.00 H new ATOM 0 HB2 LEU A 107 12.107 -2.756 -4.094 1.00 0.00 H new ATOM 0 HB3 LEU A 107 12.626 -2.105 -2.552 1.00 0.00 H new ATOM 0 HG LEU A 107 10.874 -3.406 -1.386 1.00 0.00 H new ATOM 0 HD11 LEU A 107 9.582 -5.175 -2.521 1.00 0.00 H new ATOM 0 HD12 LEU A 107 9.142 -3.543 -3.078 1.00 0.00 H new ATOM 0 HD13 LEU A 107 10.170 -4.582 -4.093 1.00 0.00 H new ATOM 0 HD21 LEU A 107 11.880 -5.678 -1.730 1.00 0.00 H new ATOM 0 HD22 LEU A 107 12.650 -5.092 -3.224 1.00 0.00 H new ATOM 0 HD23 LEU A 107 13.119 -4.403 -1.652 1.00 0.00 H new ATOM 1615 N ARG A 108 11.431 0.854 -4.483 1.00 0.00 N ATOM 1616 CA ARG A 108 11.921 2.252 -4.569 1.00 0.00 C ATOM 1617 C ARG A 108 11.070 3.210 -3.689 1.00 0.00 C ATOM 1618 O ARG A 108 11.582 4.189 -3.140 1.00 0.00 O ATOM 1619 CB ARG A 108 11.903 2.754 -6.037 1.00 0.00 C ATOM 1620 CG ARG A 108 12.928 2.094 -6.982 1.00 0.00 C ATOM 1621 CD ARG A 108 12.928 2.758 -8.377 1.00 0.00 C ATOM 1622 NE ARG A 108 13.099 4.229 -8.298 1.00 0.00 N ATOM 1623 CZ ARG A 108 13.134 5.068 -9.318 1.00 0.00 C ATOM 1624 NH1 ARG A 108 13.096 4.655 -10.540 1.00 0.00 N ATOM 1625 NH2 ARG A 108 13.218 6.335 -9.095 1.00 0.00 N ATOM 0 H ARG A 108 10.975 0.522 -5.333 1.00 0.00 H new ATOM 0 HA ARG A 108 12.946 2.255 -4.198 1.00 0.00 H new ATOM 0 HB2 ARG A 108 10.905 2.593 -6.444 1.00 0.00 H new ATOM 0 HB3 ARG A 108 12.078 3.830 -6.036 1.00 0.00 H new ATOM 0 HG2 ARG A 108 13.924 2.165 -6.545 1.00 0.00 H new ATOM 0 HG3 ARG A 108 12.699 1.033 -7.084 1.00 0.00 H new ATOM 0 HD2 ARG A 108 13.730 2.333 -8.980 1.00 0.00 H new ATOM 0 HD3 ARG A 108 11.992 2.530 -8.886 1.00 0.00 H new ATOM 0 HE ARG A 108 13.199 4.632 -7.366 1.00 0.00 H new ATOM 0 HH11 ARG A 108 13.037 3.656 -10.739 1.00 0.00 H new ATOM 0 HH12 ARG A 108 13.125 5.327 -11.307 1.00 0.00 H new ATOM 0 HH21 ARG A 108 13.257 6.683 -8.137 1.00 0.00 H new ATOM 0 HH22 ARG A 108 13.246 6.990 -9.877 1.00 0.00 H new ATOM 1639 N TYR A 109 9.766 2.907 -3.582 1.00 0.00 N ATOM 1640 CA TYR A 109 8.756 3.789 -2.938 1.00 0.00 C ATOM 1641 C TYR A 109 8.209 3.167 -1.625 1.00 0.00 C ATOM 1642 O TYR A 109 7.699 3.882 -0.753 1.00 0.00 O ATOM 1643 CB TYR A 109 7.595 4.029 -3.938 1.00 0.00 C ATOM 1644 CG TYR A 109 8.040 4.544 -5.321 1.00 0.00 C ATOM 1645 CD1 TYR A 109 8.403 3.657 -6.345 1.00 0.00 C ATOM 1646 CD2 TYR A 109 8.110 5.910 -5.597 1.00 0.00 C ATOM 1647 CE1 TYR A 109 8.822 4.118 -7.582 1.00 0.00 C ATOM 1648 CE2 TYR A 109 8.523 6.373 -6.832 1.00 0.00 C ATOM 1649 CZ TYR A 109 8.881 5.477 -7.818 1.00 0.00 C ATOM 1650 OH TYR A 109 9.309 5.942 -9.043 1.00 0.00 O ATOM 0 H TYR A 109 9.371 2.037 -3.940 1.00 0.00 H new ATOM 0 HA TYR A 109 9.232 4.734 -2.677 1.00 0.00 H new ATOM 0 HB2 TYR A 109 7.048 3.096 -4.071 1.00 0.00 H new ATOM 0 HB3 TYR A 109 6.900 4.747 -3.503 1.00 0.00 H new ATOM 0 HD1 TYR A 109 8.355 2.593 -6.165 1.00 0.00 H new ATOM 0 HD2 TYR A 109 7.836 6.620 -4.830 1.00 0.00 H new ATOM 0 HE1 TYR A 109 9.101 3.419 -8.357 1.00 0.00 H new ATOM 0 HE2 TYR A 109 8.565 7.435 -7.025 1.00 0.00 H new ATOM 0 HH TYR A 109 9.291 6.922 -9.046 1.00 0.00 H new ATOM 1660 N VAL A 110 8.305 1.828 -1.514 1.00 0.00 N ATOM 1661 CA VAL A 110 7.877 1.064 -0.312 1.00 0.00 C ATOM 1662 C VAL A 110 9.026 0.104 0.136 1.00 0.00 C ATOM 1663 O VAL A 110 10.106 0.125 -0.455 1.00 0.00 O ATOM 1664 CB VAL A 110 6.541 0.258 -0.618 1.00 0.00 C ATOM 1665 CG1 VAL A 110 6.792 -1.017 -1.469 1.00 0.00 C ATOM 1666 CG2 VAL A 110 5.764 -0.071 0.678 1.00 0.00 C ATOM 0 H VAL A 110 8.682 1.238 -2.255 1.00 0.00 H new ATOM 0 HA VAL A 110 7.668 1.757 0.503 1.00 0.00 H new ATOM 0 HB VAL A 110 5.916 0.917 -1.222 1.00 0.00 H new ATOM 0 HG11 VAL A 110 5.846 -1.528 -1.647 1.00 0.00 H new ATOM 0 HG12 VAL A 110 7.238 -0.736 -2.423 1.00 0.00 H new ATOM 0 HG13 VAL A 110 7.469 -1.684 -0.935 1.00 0.00 H new ATOM 0 HG21 VAL A 110 4.857 -0.622 0.429 1.00 0.00 H new ATOM 0 HG22 VAL A 110 6.389 -0.678 1.333 1.00 0.00 H new ATOM 0 HG23 VAL A 110 5.497 0.855 1.187 1.00 0.00 H new ATOM 1676 N SER A 111 8.819 -0.702 1.195 1.00 0.00 N ATOM 1677 CA SER A 111 9.762 -1.794 1.560 1.00 0.00 C ATOM 1678 C SER A 111 9.132 -3.174 1.285 1.00 0.00 C ATOM 1679 O SER A 111 7.916 -3.292 1.103 1.00 0.00 O ATOM 1680 CB SER A 111 10.178 -1.697 3.049 1.00 0.00 C ATOM 1681 OG SER A 111 9.176 -2.188 3.922 1.00 0.00 O ATOM 0 H SER A 111 8.013 -0.624 1.815 1.00 0.00 H new ATOM 0 HA SER A 111 10.652 -1.680 0.941 1.00 0.00 H new ATOM 0 HB2 SER A 111 11.099 -2.260 3.204 1.00 0.00 H new ATOM 0 HB3 SER A 111 10.394 -0.658 3.296 1.00 0.00 H new ATOM 0 HG SER A 111 8.496 -1.496 4.061 1.00 0.00 H new ATOM 1687 N LEU A 112 9.982 -4.210 1.259 1.00 0.00 N ATOM 1688 CA LEU A 112 9.544 -5.624 1.182 1.00 0.00 C ATOM 1689 C LEU A 112 8.785 -6.042 2.464 1.00 0.00 C ATOM 1690 O LEU A 112 7.795 -6.774 2.389 1.00 0.00 O ATOM 1691 CB LEU A 112 10.783 -6.540 0.920 1.00 0.00 C ATOM 1692 CG LEU A 112 10.599 -8.111 1.064 1.00 0.00 C ATOM 1693 CD1 LEU A 112 11.500 -8.892 0.079 1.00 0.00 C ATOM 1694 CD2 LEU A 112 10.871 -8.601 2.520 1.00 0.00 C ATOM 0 H LEU A 112 10.995 -4.098 1.291 1.00 0.00 H new ATOM 0 HA LEU A 112 8.847 -5.738 0.351 1.00 0.00 H new ATOM 0 HB2 LEU A 112 11.139 -6.338 -0.090 1.00 0.00 H new ATOM 0 HB3 LEU A 112 11.574 -6.233 1.604 1.00 0.00 H new ATOM 0 HG LEU A 112 9.557 -8.314 0.818 1.00 0.00 H new ATOM 0 HD11 LEU A 112 11.342 -9.962 0.212 1.00 0.00 H new ATOM 0 HD12 LEU A 112 11.249 -8.612 -0.944 1.00 0.00 H new ATOM 0 HD13 LEU A 112 12.545 -8.653 0.274 1.00 0.00 H new ATOM 0 HD21 LEU A 112 10.734 -9.681 2.572 1.00 0.00 H new ATOM 0 HD22 LEU A 112 11.894 -8.351 2.803 1.00 0.00 H new ATOM 0 HD23 LEU A 112 10.176 -8.113 3.204 1.00 0.00 H new ATOM 1706 N ALA A 113 9.273 -5.569 3.629 1.00 0.00 N ATOM 1707 CA ALA A 113 8.706 -5.920 4.957 1.00 0.00 C ATOM 1708 C ALA A 113 7.238 -5.469 5.104 1.00 0.00 C ATOM 1709 O ALA A 113 6.448 -6.144 5.767 1.00 0.00 O ATOM 1710 CB ALA A 113 9.565 -5.326 6.077 1.00 0.00 C ATOM 0 H ALA A 113 10.069 -4.934 3.681 1.00 0.00 H new ATOM 0 HA ALA A 113 8.717 -7.007 5.036 1.00 0.00 H new ATOM 0 HB1 ALA A 113 9.137 -5.592 7.044 1.00 0.00 H new ATOM 0 HB2 ALA A 113 10.578 -5.722 6.008 1.00 0.00 H new ATOM 0 HB3 ALA A 113 9.592 -4.241 5.978 1.00 0.00 H new ATOM 1716 N ASP A 114 6.894 -4.327 4.477 1.00 0.00 N ATOM 1717 CA ASP A 114 5.493 -3.869 4.334 1.00 0.00 C ATOM 1718 C ASP A 114 4.630 -4.935 3.624 1.00 0.00 C ATOM 1719 O ASP A 114 3.573 -5.338 4.135 1.00 0.00 O ATOM 1720 CB ASP A 114 5.445 -2.539 3.527 1.00 0.00 C ATOM 1721 CG ASP A 114 5.752 -1.290 4.356 1.00 0.00 C ATOM 1722 OD1 ASP A 114 6.761 -1.271 5.094 1.00 0.00 O ATOM 1723 OD2 ASP A 114 4.992 -0.311 4.263 1.00 0.00 O ATOM 0 H ASP A 114 7.575 -3.696 4.056 1.00 0.00 H new ATOM 0 HA ASP A 114 5.089 -3.705 5.333 1.00 0.00 H new ATOM 0 HB2 ASP A 114 6.158 -2.600 2.705 1.00 0.00 H new ATOM 0 HB3 ASP A 114 4.455 -2.432 3.083 1.00 0.00 H new ATOM 1728 N LEU A 115 5.135 -5.421 2.471 1.00 0.00 N ATOM 1729 CA LEU A 115 4.377 -6.311 1.580 1.00 0.00 C ATOM 1730 C LEU A 115 4.112 -7.659 2.279 1.00 0.00 C ATOM 1731 O LEU A 115 2.982 -8.131 2.344 1.00 0.00 O ATOM 1732 CB LEU A 115 5.148 -6.561 0.255 1.00 0.00 C ATOM 1733 CG LEU A 115 5.743 -5.317 -0.485 1.00 0.00 C ATOM 1734 CD1 LEU A 115 6.345 -5.711 -1.843 1.00 0.00 C ATOM 1735 CD2 LEU A 115 4.711 -4.197 -0.660 1.00 0.00 C ATOM 0 H LEU A 115 6.075 -5.207 2.137 1.00 0.00 H new ATOM 0 HA LEU A 115 3.429 -5.826 1.347 1.00 0.00 H new ATOM 0 HB2 LEU A 115 5.967 -7.248 0.468 1.00 0.00 H new ATOM 0 HB3 LEU A 115 4.475 -7.071 -0.434 1.00 0.00 H new ATOM 0 HG LEU A 115 6.541 -4.930 0.148 1.00 0.00 H new ATOM 0 HD11 LEU A 115 6.750 -4.825 -2.332 1.00 0.00 H new ATOM 0 HD12 LEU A 115 7.143 -6.438 -1.690 1.00 0.00 H new ATOM 0 HD13 LEU A 115 5.570 -6.150 -2.471 1.00 0.00 H new ATOM 0 HD21 LEU A 115 5.171 -3.356 -1.178 1.00 0.00 H new ATOM 0 HD22 LEU A 115 3.869 -4.567 -1.245 1.00 0.00 H new ATOM 0 HD23 LEU A 115 4.358 -3.871 0.319 1.00 0.00 H new ATOM 1747 N GLN A 116 5.189 -8.224 2.849 1.00 0.00 N ATOM 1748 CA GLN A 116 5.179 -9.551 3.491 1.00 0.00 C ATOM 1749 C GLN A 116 4.410 -9.543 4.828 1.00 0.00 C ATOM 1750 O GLN A 116 3.881 -10.575 5.250 1.00 0.00 O ATOM 1751 CB GLN A 116 6.635 -10.044 3.682 1.00 0.00 C ATOM 1752 CG GLN A 116 7.460 -10.100 2.367 1.00 0.00 C ATOM 1753 CD GLN A 116 8.370 -11.329 2.261 1.00 0.00 C ATOM 1754 OE1 GLN A 116 8.858 -11.851 3.259 1.00 0.00 O ATOM 1755 NE2 GLN A 116 8.599 -11.804 1.056 1.00 0.00 N ATOM 0 H GLN A 116 6.101 -7.768 2.878 1.00 0.00 H new ATOM 0 HA GLN A 116 4.650 -10.244 2.836 1.00 0.00 H new ATOM 0 HB2 GLN A 116 7.141 -9.386 4.389 1.00 0.00 H new ATOM 0 HB3 GLN A 116 6.616 -11.038 4.129 1.00 0.00 H new ATOM 0 HG2 GLN A 116 6.776 -10.092 1.519 1.00 0.00 H new ATOM 0 HG3 GLN A 116 8.070 -9.200 2.293 1.00 0.00 H new ATOM 0 HE21 GLN A 116 8.182 -11.352 0.242 1.00 0.00 H new ATOM 0 HE22 GLN A 116 9.194 -12.624 0.936 1.00 0.00 H new ATOM 1764 N ALA A 117 4.360 -8.372 5.483 1.00 0.00 N ATOM 1765 CA ALA A 117 3.542 -8.168 6.704 1.00 0.00 C ATOM 1766 C ALA A 117 2.026 -8.383 6.442 1.00 0.00 C ATOM 1767 O ALA A 117 1.301 -8.880 7.310 1.00 0.00 O ATOM 1768 CB ALA A 117 3.775 -6.761 7.274 1.00 0.00 C ATOM 0 H ALA A 117 4.878 -7.543 5.190 1.00 0.00 H new ATOM 0 HA ALA A 117 3.861 -8.916 7.429 1.00 0.00 H new ATOM 0 HB1 ALA A 117 3.168 -6.626 8.169 1.00 0.00 H new ATOM 0 HB2 ALA A 117 4.828 -6.641 7.528 1.00 0.00 H new ATOM 0 HB3 ALA A 117 3.494 -6.016 6.530 1.00 0.00 H new ATOM 1774 N HIS A 118 1.553 -7.984 5.236 1.00 0.00 N ATOM 1775 CA HIS A 118 0.111 -8.050 4.858 1.00 0.00 C ATOM 1776 C HIS A 118 -0.112 -8.816 3.529 1.00 0.00 C ATOM 1777 O HIS A 118 -1.110 -8.588 2.830 1.00 0.00 O ATOM 1778 CB HIS A 118 -0.483 -6.616 4.809 1.00 0.00 C ATOM 1779 CG HIS A 118 -0.553 -5.972 6.166 1.00 0.00 C ATOM 1780 ND1 HIS A 118 -1.654 -6.073 6.985 1.00 0.00 N ATOM 1781 CD2 HIS A 118 0.376 -5.293 6.877 1.00 0.00 C ATOM 1782 CE1 HIS A 118 -1.401 -5.492 8.136 1.00 0.00 C ATOM 1783 NE2 HIS A 118 -0.177 -5.014 8.100 1.00 0.00 N ATOM 0 H HIS A 118 2.151 -7.609 4.500 1.00 0.00 H new ATOM 0 HA HIS A 118 -0.418 -8.619 5.622 1.00 0.00 H new ATOM 0 HB2 HIS A 118 0.125 -5.998 4.148 1.00 0.00 H new ATOM 0 HB3 HIS A 118 -1.483 -6.656 4.378 1.00 0.00 H new ATOM 0 HD2 HIS A 118 1.367 -5.022 6.544 1.00 0.00 H new ATOM 0 HE1 HIS A 118 -2.083 -5.419 8.970 1.00 0.00 H new ATOM 0 HE2 HIS A 118 0.287 -4.516 8.860 1.00 0.00 H new ATOM 1792 N ALA A 119 0.808 -9.753 3.232 1.00 0.00 N ATOM 1793 CA ALA A 119 0.692 -10.705 2.100 1.00 0.00 C ATOM 1794 C ALA A 119 1.720 -11.851 2.244 1.00 0.00 C ATOM 1795 O ALA A 119 2.583 -11.816 3.119 1.00 0.00 O ATOM 1796 CB ALA A 119 0.875 -9.983 0.755 1.00 0.00 C ATOM 0 H ALA A 119 1.663 -9.875 3.774 1.00 0.00 H new ATOM 0 HA ALA A 119 -0.309 -11.135 2.122 1.00 0.00 H new ATOM 0 HB1 ALA A 119 0.786 -10.702 -0.059 1.00 0.00 H new ATOM 0 HB2 ALA A 119 0.109 -9.215 0.647 1.00 0.00 H new ATOM 0 HB3 ALA A 119 1.861 -9.519 0.722 1.00 0.00 H new