USER MOD reduce.3.24.130724 H: found=0, std=0, add=616, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 616 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 35 THR OG1 : rot 180:sc= -0.222 USER MOD Single : A 48 HIS : no HD1:sc= -0.0081 X(o=-0.0081,f=0) USER MOD Single : A 51 THR OG1 : rot -73:sc= 0.407 USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 THR OG1 : rot 60:sc= 1.3 USER MOD Single : A 82 HIS : no HD1:sc= 0 X(o=0,f=-0.0079) USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 89 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 90 GLN : amide:sc= -0.507 K(o=-0.51,f=-1.7) USER MOD Single : A 98 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 108 GLN : amide:sc= -1.29 X(o=-1.3,f=-1.6) USER MOD Single : A 110 TYR OH : rot 180:sc= 0 USER MOD Single : A 112 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 526 N PHE A 34 82.948 31.898 10.385 1.00 0.00 N ATOM 527 CA PHE A 34 82.689 32.637 9.156 1.00 0.00 C ATOM 528 C PHE A 34 82.259 34.069 9.462 1.00 0.00 C ATOM 529 O PHE A 34 81.896 34.392 10.594 1.00 0.00 O ATOM 530 CB PHE A 34 81.610 31.934 8.330 1.00 0.00 C ATOM 531 CG PHE A 34 80.542 31.289 9.165 1.00 0.00 C ATOM 532 CD1 PHE A 34 79.894 32.005 10.159 1.00 0.00 C ATOM 533 CD2 PHE A 34 80.185 29.966 8.957 1.00 0.00 C ATOM 534 CE1 PHE A 34 78.910 31.414 10.930 1.00 0.00 C ATOM 535 CE2 PHE A 34 79.202 29.370 9.724 1.00 0.00 C ATOM 536 CZ PHE A 34 78.564 30.095 10.712 1.00 0.00 C ATOM 0 HA PHE A 34 83.614 32.669 8.580 1.00 0.00 H new ATOM 0 HB2 PHE A 34 81.148 32.658 7.659 1.00 0.00 H new ATOM 0 HB3 PHE A 34 82.079 31.175 7.705 1.00 0.00 H new ATOM 0 HD1 PHE A 34 80.161 33.037 10.334 1.00 0.00 H new ATOM 0 HD2 PHE A 34 80.681 29.394 8.187 1.00 0.00 H new ATOM 0 HE1 PHE A 34 78.413 31.983 11.702 1.00 0.00 H new ATOM 0 HE2 PHE A 34 78.933 28.338 9.551 1.00 0.00 H new ATOM 0 HZ PHE A 34 77.796 29.631 11.313 1.00 0.00 H new ATOM 546 N THR A 35 82.304 34.925 8.446 1.00 0.00 N ATOM 547 CA THR A 35 81.922 36.322 8.606 1.00 0.00 C ATOM 548 C THR A 35 80.621 36.623 7.870 1.00 0.00 C ATOM 549 O THR A 35 80.209 35.874 6.985 1.00 0.00 O ATOM 550 CB THR A 35 83.022 37.268 8.089 1.00 0.00 C ATOM 551 OG1 THR A 35 82.579 38.627 8.174 1.00 0.00 O ATOM 552 CG2 THR A 35 83.388 36.938 6.650 1.00 0.00 C ATOM 0 H THR A 35 82.601 34.675 7.503 1.00 0.00 H new ATOM 0 HA THR A 35 81.780 36.491 9.673 1.00 0.00 H new ATOM 0 HB THR A 35 83.907 37.135 8.712 1.00 0.00 H new ATOM 0 HG1 THR A 35 83.285 39.222 7.845 1.00 0.00 H new ATOM 0 HG21 THR A 35 84.167 37.619 6.307 1.00 0.00 H new ATOM 0 HG22 THR A 35 83.753 35.912 6.593 1.00 0.00 H new ATOM 0 HG23 THR A 35 82.507 37.045 6.017 1.00 0.00 H new ATOM 560 N VAL A 36 79.979 37.727 8.240 1.00 0.00 N ATOM 561 CA VAL A 36 78.725 38.129 7.614 1.00 0.00 C ATOM 562 C VAL A 36 78.854 38.154 6.095 1.00 0.00 C ATOM 563 O VAL A 36 77.936 37.756 5.378 1.00 0.00 O ATOM 564 CB VAL A 36 78.273 39.517 8.103 1.00 0.00 C ATOM 565 CG1 VAL A 36 79.379 40.542 7.900 1.00 0.00 C ATOM 566 CG2 VAL A 36 77.000 39.945 7.389 1.00 0.00 C ATOM 0 H VAL A 36 80.307 38.359 8.970 1.00 0.00 H new ATOM 0 HA VAL A 36 77.976 37.390 7.901 1.00 0.00 H new ATOM 0 HB VAL A 36 78.060 39.455 9.170 1.00 0.00 H new ATOM 0 HG11 VAL A 36 79.041 41.517 8.252 1.00 0.00 H new ATOM 0 HG12 VAL A 36 80.263 40.240 8.462 1.00 0.00 H new ATOM 0 HG13 VAL A 36 79.627 40.605 6.840 1.00 0.00 H new ATOM 0 HG21 VAL A 36 76.695 40.928 7.747 1.00 0.00 H new ATOM 0 HG22 VAL A 36 77.183 39.990 6.315 1.00 0.00 H new ATOM 0 HG23 VAL A 36 76.209 39.223 7.592 1.00 0.00 H new ATOM 576 N ALA A 37 79.998 38.625 5.611 1.00 0.00 N ATOM 577 CA ALA A 37 80.248 38.700 4.177 1.00 0.00 C ATOM 578 C ALA A 37 80.262 37.311 3.548 1.00 0.00 C ATOM 579 O ALA A 37 79.609 37.074 2.533 1.00 0.00 O ATOM 580 CB ALA A 37 81.563 39.417 3.908 1.00 0.00 C ATOM 0 H ALA A 37 80.767 38.961 6.191 1.00 0.00 H new ATOM 0 HA ALA A 37 79.437 39.268 3.721 1.00 0.00 H new ATOM 0 HB1 ALA A 37 81.737 39.466 2.833 1.00 0.00 H new ATOM 0 HB2 ALA A 37 81.516 40.427 4.315 1.00 0.00 H new ATOM 0 HB3 ALA A 37 82.378 38.872 4.383 1.00 0.00 H new ATOM 586 N GLU A 38 81.011 36.398 4.158 1.00 0.00 N ATOM 587 CA GLU A 38 81.110 35.033 3.656 1.00 0.00 C ATOM 588 C GLU A 38 79.755 34.333 3.710 1.00 0.00 C ATOM 589 O GLU A 38 79.313 33.733 2.730 1.00 0.00 O ATOM 590 CB GLU A 38 82.138 34.241 4.466 1.00 0.00 C ATOM 591 CG GLU A 38 83.572 34.680 4.224 1.00 0.00 C ATOM 592 CD GLU A 38 84.166 34.068 2.970 1.00 0.00 C ATOM 593 OE1 GLU A 38 84.574 32.889 3.022 1.00 0.00 O ATOM 594 OE2 GLU A 38 84.224 34.768 1.938 1.00 0.00 O ATOM 0 H GLU A 38 81.558 36.579 5.000 1.00 0.00 H new ATOM 0 HA GLU A 38 81.434 35.079 2.616 1.00 0.00 H new ATOM 0 HB2 GLU A 38 81.910 34.344 5.527 1.00 0.00 H new ATOM 0 HB3 GLU A 38 82.044 33.183 4.221 1.00 0.00 H new ATOM 0 HG2 GLU A 38 83.607 35.767 4.145 1.00 0.00 H new ATOM 0 HG3 GLU A 38 84.183 34.403 5.083 1.00 0.00 H new ATOM 601 N VAL A 39 79.099 34.415 4.864 1.00 0.00 N ATOM 602 CA VAL A 39 77.794 33.791 5.048 1.00 0.00 C ATOM 603 C VAL A 39 76.755 34.405 4.117 1.00 0.00 C ATOM 604 O VAL A 39 75.831 33.728 3.670 1.00 0.00 O ATOM 605 CB VAL A 39 77.308 33.926 6.503 1.00 0.00 C ATOM 606 CG1 VAL A 39 75.923 33.316 6.662 1.00 0.00 C ATOM 607 CG2 VAL A 39 78.298 33.277 7.458 1.00 0.00 C ATOM 0 H VAL A 39 79.450 34.908 5.685 1.00 0.00 H new ATOM 0 HA VAL A 39 77.912 32.734 4.809 1.00 0.00 H new ATOM 0 HB VAL A 39 77.243 34.986 6.749 1.00 0.00 H new ATOM 0 HG11 VAL A 39 75.596 33.421 7.696 1.00 0.00 H new ATOM 0 HG12 VAL A 39 75.221 33.831 6.006 1.00 0.00 H new ATOM 0 HG13 VAL A 39 75.958 32.259 6.398 1.00 0.00 H new ATOM 0 HG21 VAL A 39 77.938 33.382 8.482 1.00 0.00 H new ATOM 0 HG22 VAL A 39 78.398 32.219 7.215 1.00 0.00 H new ATOM 0 HG23 VAL A 39 79.268 33.764 7.363 1.00 0.00 H new ATOM 617 N GLU A 40 76.915 35.693 3.829 1.00 0.00 N ATOM 618 CA GLU A 40 75.989 36.399 2.951 1.00 0.00 C ATOM 619 C GLU A 40 76.145 35.931 1.507 1.00 0.00 C ATOM 620 O GLU A 40 75.160 35.646 0.825 1.00 0.00 O ATOM 621 CB GLU A 40 76.220 37.909 3.037 1.00 0.00 C ATOM 622 CG GLU A 40 75.438 38.582 4.152 1.00 0.00 C ATOM 623 CD GLU A 40 75.832 40.034 4.348 1.00 0.00 C ATOM 624 OE1 GLU A 40 77.043 40.305 4.488 1.00 0.00 O ATOM 625 OE2 GLU A 40 74.931 40.897 4.360 1.00 0.00 O ATOM 0 H GLU A 40 77.676 36.268 4.190 1.00 0.00 H new ATOM 0 HA GLU A 40 74.974 36.175 3.280 1.00 0.00 H new ATOM 0 HB2 GLU A 40 77.283 38.097 3.186 1.00 0.00 H new ATOM 0 HB3 GLU A 40 75.945 38.365 2.086 1.00 0.00 H new ATOM 0 HG2 GLU A 40 74.373 38.526 3.929 1.00 0.00 H new ATOM 0 HG3 GLU A 40 75.598 38.037 5.083 1.00 0.00 H new ATOM 632 N LEU A 41 77.389 35.856 1.047 1.00 0.00 N ATOM 633 CA LEU A 41 77.676 35.424 -0.317 1.00 0.00 C ATOM 634 C LEU A 41 77.161 34.008 -0.559 1.00 0.00 C ATOM 635 O LEU A 41 76.533 33.731 -1.581 1.00 0.00 O ATOM 636 CB LEU A 41 79.180 35.484 -0.586 1.00 0.00 C ATOM 637 CG LEU A 41 79.819 36.872 -0.518 1.00 0.00 C ATOM 638 CD1 LEU A 41 81.264 36.772 -0.053 1.00 0.00 C ATOM 639 CD2 LEU A 41 79.739 37.563 -1.872 1.00 0.00 C ATOM 0 H LEU A 41 78.215 36.089 1.598 1.00 0.00 H new ATOM 0 HA LEU A 41 77.163 36.100 -1.002 1.00 0.00 H new ATOM 0 HB2 LEU A 41 79.684 34.838 0.134 1.00 0.00 H new ATOM 0 HB3 LEU A 41 79.369 35.067 -1.575 1.00 0.00 H new ATOM 0 HG LEU A 41 79.266 37.471 0.206 1.00 0.00 H new ATOM 0 HD11 LEU A 41 81.702 37.769 -0.011 1.00 0.00 H new ATOM 0 HD12 LEU A 41 81.297 36.319 0.938 1.00 0.00 H new ATOM 0 HD13 LEU A 41 81.830 36.156 -0.752 1.00 0.00 H new ATOM 0 HD21 LEU A 41 80.198 38.549 -1.805 1.00 0.00 H new ATOM 0 HD22 LEU A 41 80.267 36.967 -2.616 1.00 0.00 H new ATOM 0 HD23 LEU A 41 78.695 37.668 -2.166 1.00 0.00 H new ATOM 651 N LEU A 42 77.429 33.117 0.389 1.00 0.00 N ATOM 652 CA LEU A 42 76.991 31.730 0.281 1.00 0.00 C ATOM 653 C LEU A 42 75.469 31.642 0.234 1.00 0.00 C ATOM 654 O LEU A 42 74.895 31.138 -0.732 1.00 0.00 O ATOM 655 CB LEU A 42 77.524 30.912 1.459 1.00 0.00 C ATOM 656 CG LEU A 42 77.011 29.476 1.566 1.00 0.00 C ATOM 657 CD1 LEU A 42 78.066 28.578 2.193 1.00 0.00 C ATOM 658 CD2 LEU A 42 75.721 29.429 2.371 1.00 0.00 C ATOM 0 H LEU A 42 77.948 33.330 1.241 1.00 0.00 H new ATOM 0 HA LEU A 42 77.390 31.321 -0.647 1.00 0.00 H new ATOM 0 HB2 LEU A 42 78.612 30.884 1.393 1.00 0.00 H new ATOM 0 HB3 LEU A 42 77.274 31.436 2.382 1.00 0.00 H new ATOM 0 HG LEU A 42 76.802 29.109 0.561 1.00 0.00 H new ATOM 0 HD11 LEU A 42 77.683 27.560 2.261 1.00 0.00 H new ATOM 0 HD12 LEU A 42 78.965 28.587 1.576 1.00 0.00 H new ATOM 0 HD13 LEU A 42 78.307 28.942 3.192 1.00 0.00 H new ATOM 0 HD21 LEU A 42 75.370 28.399 2.437 1.00 0.00 H new ATOM 0 HD22 LEU A 42 75.904 29.815 3.374 1.00 0.00 H new ATOM 0 HD23 LEU A 42 74.963 30.039 1.880 1.00 0.00 H new ATOM 670 N VAL A 43 74.820 32.137 1.283 1.00 0.00 N ATOM 671 CA VAL A 43 73.364 32.117 1.360 1.00 0.00 C ATOM 672 C VAL A 43 72.740 32.818 0.158 1.00 0.00 C ATOM 673 O VAL A 43 71.628 32.491 -0.255 1.00 0.00 O ATOM 674 CB VAL A 43 72.861 32.791 2.651 1.00 0.00 C ATOM 675 CG1 VAL A 43 71.341 32.785 2.699 1.00 0.00 C ATOM 676 CG2 VAL A 43 73.444 32.098 3.874 1.00 0.00 C ATOM 0 H VAL A 43 75.279 32.557 2.091 1.00 0.00 H new ATOM 0 HA VAL A 43 73.062 31.070 1.364 1.00 0.00 H new ATOM 0 HB VAL A 43 73.196 33.828 2.654 1.00 0.00 H new ATOM 0 HG11 VAL A 43 71.004 33.265 3.618 1.00 0.00 H new ATOM 0 HG12 VAL A 43 70.948 33.329 1.840 1.00 0.00 H new ATOM 0 HG13 VAL A 43 70.980 31.757 2.674 1.00 0.00 H new ATOM 0 HG21 VAL A 43 73.079 32.586 4.778 1.00 0.00 H new ATOM 0 HG22 VAL A 43 73.140 31.051 3.879 1.00 0.00 H new ATOM 0 HG23 VAL A 43 74.532 32.159 3.843 1.00 0.00 H new ATOM 686 N GLU A 44 73.465 33.783 -0.399 1.00 0.00 N ATOM 687 CA GLU A 44 72.982 34.531 -1.554 1.00 0.00 C ATOM 688 C GLU A 44 73.115 33.705 -2.831 1.00 0.00 C ATOM 689 O GLU A 44 72.321 33.848 -3.760 1.00 0.00 O ATOM 690 CB GLU A 44 73.755 35.844 -1.700 1.00 0.00 C ATOM 691 CG GLU A 44 73.469 36.577 -2.999 1.00 0.00 C ATOM 692 CD GLU A 44 72.024 37.020 -3.114 1.00 0.00 C ATOM 693 OE1 GLU A 44 71.426 37.366 -2.073 1.00 0.00 O ATOM 694 OE2 GLU A 44 71.491 37.021 -4.243 1.00 0.00 O ATOM 0 H GLU A 44 74.388 34.065 -0.069 1.00 0.00 H new ATOM 0 HA GLU A 44 71.927 34.755 -1.394 1.00 0.00 H new ATOM 0 HB2 GLU A 44 73.508 36.496 -0.862 1.00 0.00 H new ATOM 0 HB3 GLU A 44 74.823 35.636 -1.638 1.00 0.00 H new ATOM 0 HG2 GLU A 44 74.119 37.449 -3.070 1.00 0.00 H new ATOM 0 HG3 GLU A 44 73.714 35.928 -3.840 1.00 0.00 H new ATOM 701 N ALA A 45 74.126 32.843 -2.868 1.00 0.00 N ATOM 702 CA ALA A 45 74.362 31.994 -4.029 1.00 0.00 C ATOM 703 C ALA A 45 73.344 30.861 -4.097 1.00 0.00 C ATOM 704 O ALA A 45 72.826 30.542 -5.167 1.00 0.00 O ATOM 705 CB ALA A 45 75.777 31.433 -3.993 1.00 0.00 C ATOM 0 H ALA A 45 74.794 32.714 -2.108 1.00 0.00 H new ATOM 0 HA ALA A 45 74.247 32.605 -4.924 1.00 0.00 H new ATOM 0 HB1 ALA A 45 75.940 30.801 -4.866 1.00 0.00 H new ATOM 0 HB2 ALA A 45 76.494 32.254 -4.001 1.00 0.00 H new ATOM 0 HB3 ALA A 45 75.911 30.842 -3.087 1.00 0.00 H new ATOM 711 N VAL A 46 73.062 30.255 -2.948 1.00 0.00 N ATOM 712 CA VAL A 46 72.105 29.157 -2.877 1.00 0.00 C ATOM 713 C VAL A 46 70.672 29.669 -2.982 1.00 0.00 C ATOM 714 O VAL A 46 69.801 28.995 -3.529 1.00 0.00 O ATOM 715 CB VAL A 46 72.259 28.361 -1.568 1.00 0.00 C ATOM 716 CG1 VAL A 46 72.401 29.304 -0.383 1.00 0.00 C ATOM 717 CG2 VAL A 46 71.079 27.421 -1.374 1.00 0.00 C ATOM 0 H VAL A 46 73.483 30.506 -2.053 1.00 0.00 H new ATOM 0 HA VAL A 46 72.316 28.499 -3.720 1.00 0.00 H new ATOM 0 HB VAL A 46 73.166 27.760 -1.633 1.00 0.00 H new ATOM 0 HG11 VAL A 46 72.509 28.723 0.533 1.00 0.00 H new ATOM 0 HG12 VAL A 46 73.282 29.931 -0.521 1.00 0.00 H new ATOM 0 HG13 VAL A 46 71.514 29.934 -0.311 1.00 0.00 H new ATOM 0 HG21 VAL A 46 71.205 26.867 -0.444 1.00 0.00 H new ATOM 0 HG22 VAL A 46 70.156 28.000 -1.330 1.00 0.00 H new ATOM 0 HG23 VAL A 46 71.029 26.722 -2.209 1.00 0.00 H new ATOM 727 N GLU A 47 70.437 30.866 -2.453 1.00 0.00 N ATOM 728 CA GLU A 47 69.110 31.468 -2.487 1.00 0.00 C ATOM 729 C GLU A 47 68.756 31.925 -3.899 1.00 0.00 C ATOM 730 O GLU A 47 67.655 31.670 -4.389 1.00 0.00 O ATOM 731 CB GLU A 47 69.039 32.654 -1.522 1.00 0.00 C ATOM 732 CG GLU A 47 67.770 33.479 -1.664 1.00 0.00 C ATOM 733 CD GLU A 47 66.554 32.629 -1.977 1.00 0.00 C ATOM 734 OE1 GLU A 47 66.419 31.541 -1.379 1.00 0.00 O ATOM 735 OE2 GLU A 47 65.737 33.052 -2.821 1.00 0.00 O ATOM 0 H GLU A 47 71.148 31.437 -1.996 1.00 0.00 H new ATOM 0 HA GLU A 47 68.388 30.713 -2.177 1.00 0.00 H new ATOM 0 HB2 GLU A 47 69.109 32.284 -0.499 1.00 0.00 H new ATOM 0 HB3 GLU A 47 69.902 33.299 -1.688 1.00 0.00 H new ATOM 0 HG2 GLU A 47 67.595 34.031 -0.741 1.00 0.00 H new ATOM 0 HG3 GLU A 47 67.907 34.216 -2.455 1.00 0.00 H new ATOM 742 N HIS A 48 69.696 32.604 -4.549 1.00 0.00 N ATOM 743 CA HIS A 48 69.484 33.097 -5.905 1.00 0.00 C ATOM 744 C HIS A 48 69.276 31.940 -6.878 1.00 0.00 C ATOM 745 O HIS A 48 68.409 31.997 -7.751 1.00 0.00 O ATOM 746 CB HIS A 48 70.673 33.947 -6.353 1.00 0.00 C ATOM 747 CG HIS A 48 70.344 34.904 -7.457 1.00 0.00 C ATOM 748 ND1 HIS A 48 70.996 34.903 -8.672 1.00 0.00 N ATOM 749 CD2 HIS A 48 69.423 35.893 -7.526 1.00 0.00 C ATOM 750 CE1 HIS A 48 70.492 35.853 -9.440 1.00 0.00 C ATOM 751 NE2 HIS A 48 69.536 36.468 -8.768 1.00 0.00 N ATOM 0 H HIS A 48 70.612 32.825 -4.158 1.00 0.00 H new ATOM 0 HA HIS A 48 68.585 33.714 -5.904 1.00 0.00 H new ATOM 0 HB2 HIS A 48 71.051 34.508 -5.498 1.00 0.00 H new ATOM 0 HB3 HIS A 48 71.476 33.288 -6.682 1.00 0.00 H new ATOM 0 HD2 HIS A 48 68.729 36.177 -6.749 1.00 0.00 H new ATOM 0 HE1 HIS A 48 70.808 36.087 -10.446 1.00 0.00 H new ATOM 0 HE2 HIS A 48 68.973 37.244 -9.115 1.00 0.00 H new ATOM 759 N LEU A 49 70.077 30.891 -6.722 1.00 0.00 N ATOM 760 CA LEU A 49 69.982 29.721 -7.587 1.00 0.00 C ATOM 761 C LEU A 49 68.972 28.718 -7.037 1.00 0.00 C ATOM 762 O LEU A 49 68.665 27.715 -7.680 1.00 0.00 O ATOM 763 CB LEU A 49 71.352 29.055 -7.730 1.00 0.00 C ATOM 764 CG LEU A 49 72.501 29.969 -8.155 1.00 0.00 C ATOM 765 CD1 LEU A 49 73.830 29.421 -7.661 1.00 0.00 C ATOM 766 CD2 LEU A 49 72.520 30.135 -9.668 1.00 0.00 C ATOM 0 H LEU A 49 70.799 30.827 -6.004 1.00 0.00 H new ATOM 0 HA LEU A 49 69.641 30.052 -8.568 1.00 0.00 H new ATOM 0 HB2 LEU A 49 71.612 28.597 -6.776 1.00 0.00 H new ATOM 0 HB3 LEU A 49 71.267 28.248 -8.458 1.00 0.00 H new ATOM 0 HG LEU A 49 72.345 30.949 -7.704 1.00 0.00 H new ATOM 0 HD11 LEU A 49 74.636 30.085 -7.973 1.00 0.00 H new ATOM 0 HD12 LEU A 49 73.815 29.355 -6.573 1.00 0.00 H new ATOM 0 HD13 LEU A 49 73.994 28.429 -8.082 1.00 0.00 H new ATOM 0 HD21 LEU A 49 73.345 30.789 -9.952 1.00 0.00 H new ATOM 0 HD22 LEU A 49 72.650 29.161 -10.139 1.00 0.00 H new ATOM 0 HD23 LEU A 49 71.579 30.574 -9.998 1.00 0.00 H new ATOM 778 N GLY A 50 68.456 28.999 -5.845 1.00 0.00 N ATOM 779 CA GLY A 50 67.484 28.114 -5.230 1.00 0.00 C ATOM 780 C GLY A 50 68.090 26.790 -4.810 1.00 0.00 C ATOM 781 O GLY A 50 69.302 26.686 -4.617 1.00 0.00 O ATOM 0 H GLY A 50 68.694 29.824 -5.294 1.00 0.00 H new ATOM 0 HA2 GLY A 50 67.051 28.605 -4.358 1.00 0.00 H new ATOM 0 HA3 GLY A 50 66.669 27.931 -5.931 1.00 0.00 H new ATOM 785 N THR A 51 67.245 25.774 -4.664 1.00 0.00 N ATOM 786 CA THR A 51 67.704 24.450 -4.261 1.00 0.00 C ATOM 787 C THR A 51 67.612 23.461 -5.418 1.00 0.00 C ATOM 788 O THR A 51 66.684 22.656 -5.487 1.00 0.00 O ATOM 789 CB THR A 51 66.886 23.910 -3.073 1.00 0.00 C ATOM 790 OG1 THR A 51 67.187 22.527 -2.860 1.00 0.00 O ATOM 791 CG2 THR A 51 65.395 24.078 -3.321 1.00 0.00 C ATOM 0 H THR A 51 66.239 25.843 -4.819 1.00 0.00 H new ATOM 0 HA THR A 51 68.746 24.555 -3.958 1.00 0.00 H new ATOM 0 HB THR A 51 67.156 24.481 -2.185 1.00 0.00 H new ATOM 0 HG1 THR A 51 66.771 21.989 -3.566 1.00 0.00 H new ATOM 0 HG21 THR A 51 64.838 23.689 -2.468 1.00 0.00 H new ATOM 0 HG22 THR A 51 65.165 25.135 -3.453 1.00 0.00 H new ATOM 0 HG23 THR A 51 65.112 23.530 -4.220 1.00 0.00 H new ATOM 799 N GLY A 52 68.582 23.526 -6.324 1.00 0.00 N ATOM 800 CA GLY A 52 68.593 22.630 -7.466 1.00 0.00 C ATOM 801 C GLY A 52 69.997 22.247 -7.890 1.00 0.00 C ATOM 802 O GLY A 52 70.385 21.083 -7.797 1.00 0.00 O ATOM 0 H GLY A 52 69.361 24.183 -6.288 1.00 0.00 H new ATOM 0 HA2 GLY A 52 68.032 21.728 -7.221 1.00 0.00 H new ATOM 0 HA3 GLY A 52 68.082 23.106 -8.302 1.00 0.00 H new ATOM 806 N ARG A 53 70.759 23.229 -8.359 1.00 0.00 N ATOM 807 CA ARG A 53 72.127 22.989 -8.802 1.00 0.00 C ATOM 808 C ARG A 53 73.125 23.335 -7.700 1.00 0.00 C ATOM 809 O ARG A 53 73.303 24.503 -7.355 1.00 0.00 O ATOM 810 CB ARG A 53 72.432 23.811 -10.056 1.00 0.00 C ATOM 811 CG ARG A 53 71.884 23.197 -11.334 1.00 0.00 C ATOM 812 CD ARG A 53 70.517 23.764 -11.683 1.00 0.00 C ATOM 813 NE ARG A 53 69.868 23.008 -12.751 1.00 0.00 N ATOM 814 CZ ARG A 53 69.296 21.823 -12.571 1.00 0.00 C ATOM 815 NH1 ARG A 53 69.293 21.261 -11.370 1.00 0.00 N ATOM 816 NH2 ARG A 53 68.725 21.198 -13.592 1.00 0.00 N ATOM 0 H ARG A 53 70.452 24.198 -8.442 1.00 0.00 H new ATOM 0 HA ARG A 53 72.224 21.929 -9.037 1.00 0.00 H new ATOM 0 HB2 ARG A 53 72.015 24.811 -9.935 1.00 0.00 H new ATOM 0 HB3 ARG A 53 73.512 23.925 -10.152 1.00 0.00 H new ATOM 0 HG2 ARG A 53 72.577 23.384 -12.155 1.00 0.00 H new ATOM 0 HG3 ARG A 53 71.812 22.116 -11.217 1.00 0.00 H new ATOM 0 HD2 ARG A 53 69.884 23.755 -10.796 1.00 0.00 H new ATOM 0 HD3 ARG A 53 70.623 24.805 -11.988 1.00 0.00 H new ATOM 0 HE ARG A 53 69.853 23.413 -13.687 1.00 0.00 H new ATOM 0 HH11 ARG A 53 69.731 21.739 -10.582 1.00 0.00 H new ATOM 0 HH12 ARG A 53 68.853 20.351 -11.234 1.00 0.00 H new ATOM 0 HH21 ARG A 53 68.725 21.627 -14.517 1.00 0.00 H new ATOM 0 HH22 ARG A 53 68.286 20.288 -13.452 1.00 0.00 H new ATOM 830 N TRP A 54 73.770 22.312 -7.152 1.00 0.00 N ATOM 831 CA TRP A 54 74.749 22.508 -6.088 1.00 0.00 C ATOM 832 C TRP A 54 76.021 23.151 -6.631 1.00 0.00 C ATOM 833 O TRP A 54 76.665 23.946 -5.947 1.00 0.00 O ATOM 834 CB TRP A 54 75.082 21.172 -5.422 1.00 0.00 C ATOM 835 CG TRP A 54 73.871 20.353 -5.095 1.00 0.00 C ATOM 836 CD1 TRP A 54 72.807 20.732 -4.327 1.00 0.00 C ATOM 837 CD2 TRP A 54 73.600 19.014 -5.526 1.00 0.00 C ATOM 838 NE1 TRP A 54 71.892 19.710 -4.255 1.00 0.00 N ATOM 839 CE2 TRP A 54 72.354 18.646 -4.983 1.00 0.00 C ATOM 840 CE3 TRP A 54 74.288 18.093 -6.320 1.00 0.00 C ATOM 841 CZ2 TRP A 54 71.785 17.395 -5.207 1.00 0.00 C ATOM 842 CZ3 TRP A 54 73.722 16.852 -6.542 1.00 0.00 C ATOM 843 CH2 TRP A 54 72.480 16.512 -5.988 1.00 0.00 C ATOM 0 H TRP A 54 73.633 21.339 -7.426 1.00 0.00 H new ATOM 0 HA TRP A 54 74.314 23.178 -5.346 1.00 0.00 H new ATOM 0 HB2 TRP A 54 75.733 20.598 -6.081 1.00 0.00 H new ATOM 0 HB3 TRP A 54 75.642 21.360 -4.506 1.00 0.00 H new ATOM 0 HD1 TRP A 54 72.701 21.694 -3.847 1.00 0.00 H new ATOM 0 HE1 TRP A 54 71.011 19.739 -3.742 1.00 0.00 H new ATOM 0 HE3 TRP A 54 75.245 18.346 -6.752 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 70.829 17.131 -4.779 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 74.246 16.132 -7.153 1.00 0.00 H new ATOM 0 HH2 TRP A 54 72.064 15.534 -6.181 1.00 0.00 H new ATOM 854 N ARG A 55 76.376 22.802 -7.863 1.00 0.00 N ATOM 855 CA ARG A 55 77.572 23.345 -8.496 1.00 0.00 C ATOM 856 C ARG A 55 77.406 24.833 -8.785 1.00 0.00 C ATOM 857 O ARG A 55 78.376 25.591 -8.771 1.00 0.00 O ATOM 858 CB ARG A 55 77.874 22.593 -9.793 1.00 0.00 C ATOM 859 CG ARG A 55 76.856 22.842 -10.894 1.00 0.00 C ATOM 860 CD ARG A 55 76.983 21.821 -12.013 1.00 0.00 C ATOM 861 NE ARG A 55 78.258 21.935 -12.716 1.00 0.00 N ATOM 862 CZ ARG A 55 78.615 21.146 -13.723 1.00 0.00 C ATOM 863 NH1 ARG A 55 77.797 20.191 -14.143 1.00 0.00 N ATOM 864 NH2 ARG A 55 79.792 21.313 -14.313 1.00 0.00 N ATOM 0 H ARG A 55 75.853 22.146 -8.443 1.00 0.00 H new ATOM 0 HA ARG A 55 78.407 23.218 -7.807 1.00 0.00 H new ATOM 0 HB2 ARG A 55 78.862 22.885 -10.150 1.00 0.00 H new ATOM 0 HB3 ARG A 55 77.914 21.524 -9.582 1.00 0.00 H new ATOM 0 HG2 ARG A 55 75.850 22.802 -10.476 1.00 0.00 H new ATOM 0 HG3 ARG A 55 76.994 23.845 -11.298 1.00 0.00 H new ATOM 0 HD2 ARG A 55 76.885 20.817 -11.600 1.00 0.00 H new ATOM 0 HD3 ARG A 55 76.165 21.956 -12.721 1.00 0.00 H new ATOM 0 HE ARG A 55 78.910 22.660 -12.417 1.00 0.00 H new ATOM 0 HH11 ARG A 55 76.891 20.061 -13.693 1.00 0.00 H new ATOM 0 HH12 ARG A 55 78.074 19.586 -14.917 1.00 0.00 H new ATOM 0 HH21 ARG A 55 80.423 22.048 -13.993 1.00 0.00 H new ATOM 0 HH22 ARG A 55 80.065 20.707 -15.086 1.00 0.00 H new ATOM 878 N ASP A 56 76.170 25.245 -9.048 1.00 0.00 N ATOM 879 CA ASP A 56 75.876 26.643 -9.340 1.00 0.00 C ATOM 880 C ASP A 56 76.191 27.528 -8.138 1.00 0.00 C ATOM 881 O ASP A 56 76.860 28.553 -8.267 1.00 0.00 O ATOM 882 CB ASP A 56 74.408 26.806 -9.738 1.00 0.00 C ATOM 883 CG ASP A 56 74.217 27.826 -10.843 1.00 0.00 C ATOM 884 OD1 ASP A 56 75.032 28.768 -10.929 1.00 0.00 O ATOM 885 OD2 ASP A 56 73.252 27.681 -11.622 1.00 0.00 O ATOM 0 H ASP A 56 75.356 24.630 -9.065 1.00 0.00 H new ATOM 0 HA ASP A 56 76.507 26.954 -10.173 1.00 0.00 H new ATOM 0 HB2 ASP A 56 74.014 25.843 -10.064 1.00 0.00 H new ATOM 0 HB3 ASP A 56 73.829 27.108 -8.865 1.00 0.00 H new ATOM 890 N VAL A 57 75.703 27.125 -6.969 1.00 0.00 N ATOM 891 CA VAL A 57 75.933 27.880 -5.743 1.00 0.00 C ATOM 892 C VAL A 57 77.393 27.803 -5.315 1.00 0.00 C ATOM 893 O VAL A 57 77.928 28.737 -4.717 1.00 0.00 O ATOM 894 CB VAL A 57 75.044 27.369 -4.594 1.00 0.00 C ATOM 895 CG1 VAL A 57 75.167 25.859 -4.455 1.00 0.00 C ATOM 896 CG2 VAL A 57 75.406 28.064 -3.291 1.00 0.00 C ATOM 0 H VAL A 57 75.146 26.280 -6.845 1.00 0.00 H new ATOM 0 HA VAL A 57 75.676 28.917 -5.958 1.00 0.00 H new ATOM 0 HB VAL A 57 74.006 27.605 -4.828 1.00 0.00 H new ATOM 0 HG11 VAL A 57 74.532 25.516 -3.638 1.00 0.00 H new ATOM 0 HG12 VAL A 57 74.854 25.381 -5.383 1.00 0.00 H new ATOM 0 HG13 VAL A 57 76.204 25.596 -4.244 1.00 0.00 H new ATOM 0 HG21 VAL A 57 74.768 27.691 -2.490 1.00 0.00 H new ATOM 0 HG22 VAL A 57 76.449 27.861 -3.048 1.00 0.00 H new ATOM 0 HG23 VAL A 57 75.261 29.139 -3.399 1.00 0.00 H new ATOM 906 N LYS A 58 78.036 26.681 -5.624 1.00 0.00 N ATOM 907 CA LYS A 58 79.437 26.480 -5.273 1.00 0.00 C ATOM 908 C LYS A 58 80.328 27.489 -5.990 1.00 0.00 C ATOM 909 O LYS A 58 81.253 28.046 -5.399 1.00 0.00 O ATOM 910 CB LYS A 58 79.873 25.057 -5.627 1.00 0.00 C ATOM 911 CG LYS A 58 81.263 24.704 -5.127 1.00 0.00 C ATOM 912 CD LYS A 58 82.092 24.033 -6.209 1.00 0.00 C ATOM 913 CE LYS A 58 81.920 22.522 -6.187 1.00 0.00 C ATOM 914 NZ LYS A 58 82.874 21.842 -7.106 1.00 0.00 N ATOM 0 H LYS A 58 77.609 25.897 -6.117 1.00 0.00 H new ATOM 0 HA LYS A 58 79.541 26.629 -4.198 1.00 0.00 H new ATOM 0 HB2 LYS A 58 79.155 24.351 -5.208 1.00 0.00 H new ATOM 0 HB3 LYS A 58 79.844 24.936 -6.710 1.00 0.00 H new ATOM 0 HG2 LYS A 58 81.769 25.608 -4.788 1.00 0.00 H new ATOM 0 HG3 LYS A 58 81.183 24.041 -4.265 1.00 0.00 H new ATOM 0 HD2 LYS A 58 81.799 24.419 -7.185 1.00 0.00 H new ATOM 0 HD3 LYS A 58 83.144 24.282 -6.070 1.00 0.00 H new ATOM 0 HE2 LYS A 58 82.069 22.154 -5.172 1.00 0.00 H new ATOM 0 HE3 LYS A 58 80.899 22.269 -6.471 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 82.725 20.814 -7.062 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 82.715 22.174 -8.079 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 83.849 22.063 -6.820 1.00 0.00 H new ATOM 928 N PHE A 59 80.042 27.722 -7.267 1.00 0.00 N ATOM 929 CA PHE A 59 80.817 28.665 -8.065 1.00 0.00 C ATOM 930 C PHE A 59 80.288 30.086 -7.894 1.00 0.00 C ATOM 931 O PHE A 59 81.057 31.027 -7.701 1.00 0.00 O ATOM 932 CB PHE A 59 80.778 28.269 -9.542 1.00 0.00 C ATOM 933 CG PHE A 59 81.397 29.290 -10.453 1.00 0.00 C ATOM 934 CD1 PHE A 59 82.747 29.237 -10.760 1.00 0.00 C ATOM 935 CD2 PHE A 59 80.628 30.303 -11.004 1.00 0.00 C ATOM 936 CE1 PHE A 59 83.319 30.176 -11.597 1.00 0.00 C ATOM 937 CE2 PHE A 59 81.195 31.245 -11.842 1.00 0.00 C ATOM 938 CZ PHE A 59 82.542 31.181 -12.140 1.00 0.00 C ATOM 0 H PHE A 59 79.279 27.271 -7.771 1.00 0.00 H new ATOM 0 HA PHE A 59 81.849 28.636 -7.715 1.00 0.00 H new ATOM 0 HB2 PHE A 59 81.297 27.319 -9.669 1.00 0.00 H new ATOM 0 HB3 PHE A 59 79.742 28.109 -9.840 1.00 0.00 H new ATOM 0 HD1 PHE A 59 83.359 28.453 -10.340 1.00 0.00 H new ATOM 0 HD2 PHE A 59 79.574 30.357 -10.776 1.00 0.00 H new ATOM 0 HE1 PHE A 59 84.373 30.124 -11.827 1.00 0.00 H new ATOM 0 HE2 PHE A 59 80.585 32.030 -12.263 1.00 0.00 H new ATOM 0 HZ PHE A 59 82.987 31.915 -12.796 1.00 0.00 H new ATOM 948 N ARG A 60 78.969 30.232 -7.966 1.00 0.00 N ATOM 949 CA ARG A 60 78.336 31.537 -7.821 1.00 0.00 C ATOM 950 C ARG A 60 78.737 32.193 -6.503 1.00 0.00 C ATOM 951 O ARG A 60 78.797 33.418 -6.401 1.00 0.00 O ATOM 952 CB ARG A 60 76.814 31.400 -7.892 1.00 0.00 C ATOM 953 CG ARG A 60 76.082 32.732 -7.888 1.00 0.00 C ATOM 954 CD ARG A 60 76.197 33.436 -9.231 1.00 0.00 C ATOM 955 NE ARG A 60 77.381 34.287 -9.304 1.00 0.00 N ATOM 956 CZ ARG A 60 77.744 34.949 -10.397 1.00 0.00 C ATOM 957 NH1 ARG A 60 77.017 34.860 -11.502 1.00 0.00 N ATOM 958 NH2 ARG A 60 78.835 35.704 -10.385 1.00 0.00 N ATOM 0 H ARG A 60 78.318 29.463 -8.124 1.00 0.00 H new ATOM 0 HA ARG A 60 78.676 32.170 -8.640 1.00 0.00 H new ATOM 0 HB2 ARG A 60 76.549 30.852 -8.796 1.00 0.00 H new ATOM 0 HB3 ARG A 60 76.471 30.804 -7.046 1.00 0.00 H new ATOM 0 HG2 ARG A 60 75.031 32.570 -7.650 1.00 0.00 H new ATOM 0 HG3 ARG A 60 76.491 33.371 -7.105 1.00 0.00 H new ATOM 0 HD2 ARG A 60 76.235 32.693 -10.028 1.00 0.00 H new ATOM 0 HD3 ARG A 60 75.306 34.040 -9.401 1.00 0.00 H new ATOM 0 HE ARG A 60 77.961 34.378 -8.470 1.00 0.00 H new ATOM 0 HH11 ARG A 60 76.177 34.282 -11.514 1.00 0.00 H new ATOM 0 HH12 ARG A 60 77.298 35.369 -12.340 1.00 0.00 H new ATOM 0 HH21 ARG A 60 79.396 35.776 -9.536 1.00 0.00 H new ATOM 0 HH22 ARG A 60 79.113 36.212 -11.225 1.00 0.00 H new ATOM 972 N ALA A 61 79.010 31.368 -5.497 1.00 0.00 N ATOM 973 CA ALA A 61 79.407 31.868 -4.186 1.00 0.00 C ATOM 974 C ALA A 61 80.884 32.249 -4.168 1.00 0.00 C ATOM 975 O ALA A 61 81.230 33.430 -4.210 1.00 0.00 O ATOM 976 CB ALA A 61 79.116 30.828 -3.115 1.00 0.00 C ATOM 0 H ALA A 61 78.964 30.351 -5.565 1.00 0.00 H new ATOM 0 HA ALA A 61 78.825 32.765 -3.975 1.00 0.00 H new ATOM 0 HB1 ALA A 61 79.417 31.214 -2.141 1.00 0.00 H new ATOM 0 HB2 ALA A 61 78.049 30.607 -3.103 1.00 0.00 H new ATOM 0 HB3 ALA A 61 79.673 29.917 -3.332 1.00 0.00 H new ATOM 982 N PHE A 62 81.749 31.243 -4.105 1.00 0.00 N ATOM 983 CA PHE A 62 83.189 31.474 -4.079 1.00 0.00 C ATOM 984 C PHE A 62 83.952 30.170 -4.295 1.00 0.00 C ATOM 985 O PHE A 62 84.017 29.323 -3.405 1.00 0.00 O ATOM 986 CB PHE A 62 83.602 32.106 -2.749 1.00 0.00 C ATOM 987 CG PHE A 62 84.069 33.528 -2.880 1.00 0.00 C ATOM 988 CD1 PHE A 62 85.322 33.814 -3.398 1.00 0.00 C ATOM 989 CD2 PHE A 62 83.255 34.577 -2.485 1.00 0.00 C ATOM 990 CE1 PHE A 62 85.754 35.121 -3.519 1.00 0.00 C ATOM 991 CE2 PHE A 62 83.682 35.886 -2.604 1.00 0.00 C ATOM 992 CZ PHE A 62 84.933 36.159 -3.123 1.00 0.00 C ATOM 0 H PHE A 62 81.479 30.260 -4.071 1.00 0.00 H new ATOM 0 HA PHE A 62 83.437 32.159 -4.890 1.00 0.00 H new ATOM 0 HB2 PHE A 62 82.757 32.071 -2.062 1.00 0.00 H new ATOM 0 HB3 PHE A 62 84.399 31.510 -2.305 1.00 0.00 H new ATOM 0 HD1 PHE A 62 85.968 33.007 -3.711 1.00 0.00 H new ATOM 0 HD2 PHE A 62 82.276 34.370 -2.080 1.00 0.00 H new ATOM 0 HE1 PHE A 62 86.733 35.331 -3.923 1.00 0.00 H new ATOM 0 HE2 PHE A 62 83.038 36.695 -2.292 1.00 0.00 H new ATOM 0 HZ PHE A 62 85.268 37.181 -3.219 1.00 0.00 H new ATOM 1002 N GLU A 63 84.528 30.018 -5.483 1.00 0.00 N ATOM 1003 CA GLU A 63 85.286 28.818 -5.816 1.00 0.00 C ATOM 1004 C GLU A 63 86.771 29.013 -5.524 1.00 0.00 C ATOM 1005 O GLU A 63 87.628 28.496 -6.239 1.00 0.00 O ATOM 1006 CB GLU A 63 85.088 28.455 -7.290 1.00 0.00 C ATOM 1007 CG GLU A 63 85.635 29.497 -8.252 1.00 0.00 C ATOM 1008 CD GLU A 63 86.277 28.878 -9.478 1.00 0.00 C ATOM 1009 OE1 GLU A 63 85.758 27.851 -9.964 1.00 0.00 O ATOM 1010 OE2 GLU A 63 87.297 29.420 -9.953 1.00 0.00 O ATOM 0 H GLU A 63 84.484 30.711 -6.231 1.00 0.00 H new ATOM 0 HA GLU A 63 84.916 28.002 -5.195 1.00 0.00 H new ATOM 0 HB2 GLU A 63 85.573 27.499 -7.488 1.00 0.00 H new ATOM 0 HB3 GLU A 63 84.024 28.318 -7.482 1.00 0.00 H new ATOM 0 HG2 GLU A 63 84.826 30.158 -8.564 1.00 0.00 H new ATOM 0 HG3 GLU A 63 86.369 30.114 -7.734 1.00 0.00 H new ATOM 1081 N ARG A 68 85.406 24.778 -0.214 1.00 0.00 N ATOM 1082 CA ARG A 68 84.581 25.172 -1.349 1.00 0.00 C ATOM 1083 C ARG A 68 83.874 23.963 -1.954 1.00 0.00 C ATOM 1084 O ARG A 68 84.089 23.621 -3.118 1.00 0.00 O ATOM 1085 CB ARG A 68 85.436 25.862 -2.414 1.00 0.00 C ATOM 1086 CG ARG A 68 86.656 25.057 -2.830 1.00 0.00 C ATOM 1087 CD ARG A 68 87.346 25.674 -4.037 1.00 0.00 C ATOM 1088 NE ARG A 68 88.592 26.343 -3.672 1.00 0.00 N ATOM 1089 CZ ARG A 68 89.557 26.622 -4.541 1.00 0.00 C ATOM 1090 NH1 ARG A 68 89.421 26.292 -5.818 1.00 0.00 N ATOM 1091 NH2 ARG A 68 90.662 27.233 -4.133 1.00 0.00 N ATOM 0 HA ARG A 68 83.825 25.871 -0.991 1.00 0.00 H new ATOM 0 HB2 ARG A 68 84.821 26.054 -3.293 1.00 0.00 H new ATOM 0 HB3 ARG A 68 85.762 26.831 -2.035 1.00 0.00 H new ATOM 0 HG2 ARG A 68 87.358 25.001 -1.998 1.00 0.00 H new ATOM 0 HG3 ARG A 68 86.357 24.035 -3.064 1.00 0.00 H new ATOM 0 HD2 ARG A 68 87.554 24.897 -4.772 1.00 0.00 H new ATOM 0 HD3 ARG A 68 86.675 26.390 -4.511 1.00 0.00 H new ATOM 0 HE ARG A 68 88.728 26.610 -2.697 1.00 0.00 H new ATOM 0 HH11 ARG A 68 88.573 25.822 -6.136 1.00 0.00 H new ATOM 0 HH12 ARG A 68 90.164 26.508 -6.482 1.00 0.00 H new ATOM 0 HH21 ARG A 68 90.771 27.489 -3.152 1.00 0.00 H new ATOM 0 HH22 ARG A 68 91.403 27.447 -4.801 1.00 0.00 H new ATOM 1105 N THR A 69 83.030 23.316 -1.156 1.00 0.00 N ATOM 1106 CA THR A 69 82.293 22.144 -1.611 1.00 0.00 C ATOM 1107 C THR A 69 80.821 22.471 -1.832 1.00 0.00 C ATOM 1108 O THR A 69 80.158 23.021 -0.951 1.00 0.00 O ATOM 1109 CB THR A 69 82.404 20.984 -0.603 1.00 0.00 C ATOM 1110 OG1 THR A 69 83.618 21.102 0.147 1.00 0.00 O ATOM 1111 CG2 THR A 69 82.372 19.642 -1.318 1.00 0.00 C ATOM 0 H THR A 69 82.840 23.585 -0.190 1.00 0.00 H new ATOM 0 HA THR A 69 82.740 21.838 -2.557 1.00 0.00 H new ATOM 0 HB THR A 69 81.552 21.037 0.075 1.00 0.00 H new ATOM 0 HG1 THR A 69 83.681 20.362 0.787 1.00 0.00 H new ATOM 0 HG21 THR A 69 82.452 18.838 -0.586 1.00 0.00 H new ATOM 0 HG22 THR A 69 81.434 19.543 -1.865 1.00 0.00 H new ATOM 0 HG23 THR A 69 83.207 19.582 -2.016 1.00 0.00 H new ATOM 1119 N TYR A 70 80.314 22.130 -3.011 1.00 0.00 N ATOM 1120 CA TYR A 70 78.920 22.390 -3.348 1.00 0.00 C ATOM 1121 C TYR A 70 77.992 21.907 -2.237 1.00 0.00 C ATOM 1122 O TYR A 70 77.055 22.604 -1.848 1.00 0.00 O ATOM 1123 CB TYR A 70 78.555 21.704 -4.666 1.00 0.00 C ATOM 1124 CG TYR A 70 78.800 20.212 -4.660 1.00 0.00 C ATOM 1125 CD1 TYR A 70 80.057 19.693 -4.948 1.00 0.00 C ATOM 1126 CD2 TYR A 70 77.775 19.321 -4.365 1.00 0.00 C ATOM 1127 CE1 TYR A 70 80.285 18.331 -4.944 1.00 0.00 C ATOM 1128 CE2 TYR A 70 77.995 17.957 -4.358 1.00 0.00 C ATOM 1129 CZ TYR A 70 79.251 17.467 -4.648 1.00 0.00 C ATOM 1130 OH TYR A 70 79.475 16.109 -4.642 1.00 0.00 O ATOM 0 H TYR A 70 80.848 21.673 -3.750 1.00 0.00 H new ATOM 0 HA TYR A 70 78.795 23.467 -3.460 1.00 0.00 H new ATOM 0 HB2 TYR A 70 77.503 21.890 -4.884 1.00 0.00 H new ATOM 0 HB3 TYR A 70 79.132 22.155 -5.473 1.00 0.00 H new ATOM 0 HD1 TYR A 70 80.869 20.366 -5.179 1.00 0.00 H new ATOM 0 HD2 TYR A 70 76.790 19.701 -4.137 1.00 0.00 H new ATOM 0 HE1 TYR A 70 81.267 17.944 -5.171 1.00 0.00 H new ATOM 0 HE2 TYR A 70 77.188 17.278 -4.127 1.00 0.00 H new ATOM 0 HH TYR A 70 78.645 15.641 -4.413 1.00 0.00 H new ATOM 1140 N VAL A 71 78.261 20.709 -1.729 1.00 0.00 N ATOM 1141 CA VAL A 71 77.453 20.132 -0.661 1.00 0.00 C ATOM 1142 C VAL A 71 77.577 20.945 0.622 1.00 0.00 C ATOM 1143 O VAL A 71 76.627 21.048 1.398 1.00 0.00 O ATOM 1144 CB VAL A 71 77.861 18.674 -0.374 1.00 0.00 C ATOM 1145 CG1 VAL A 71 79.326 18.599 0.027 1.00 0.00 C ATOM 1146 CG2 VAL A 71 76.973 18.076 0.706 1.00 0.00 C ATOM 0 H VAL A 71 79.033 20.119 -2.040 1.00 0.00 H new ATOM 0 HA VAL A 71 76.418 20.152 -1.001 1.00 0.00 H new ATOM 0 HB VAL A 71 77.728 18.091 -1.286 1.00 0.00 H new ATOM 0 HG11 VAL A 71 79.596 17.562 0.226 1.00 0.00 H new ATOM 0 HG12 VAL A 71 79.945 18.987 -0.782 1.00 0.00 H new ATOM 0 HG13 VAL A 71 79.488 19.195 0.925 1.00 0.00 H new ATOM 0 HG21 VAL A 71 77.275 17.046 0.896 1.00 0.00 H new ATOM 0 HG22 VAL A 71 77.072 18.658 1.622 1.00 0.00 H new ATOM 0 HG23 VAL A 71 75.935 18.094 0.375 1.00 0.00 H new ATOM 1156 N ASP A 72 78.754 21.521 0.840 1.00 0.00 N ATOM 1157 CA ASP A 72 79.003 22.327 2.029 1.00 0.00 C ATOM 1158 C ASP A 72 78.159 23.598 2.011 1.00 0.00 C ATOM 1159 O ASP A 72 77.616 24.010 3.037 1.00 0.00 O ATOM 1160 CB ASP A 72 80.486 22.687 2.126 1.00 0.00 C ATOM 1161 CG ASP A 72 80.817 23.438 3.401 1.00 0.00 C ATOM 1162 OD1 ASP A 72 80.761 22.820 4.485 1.00 0.00 O ATOM 1163 OD2 ASP A 72 81.134 24.643 3.315 1.00 0.00 O ATOM 0 H ASP A 72 79.551 21.445 0.208 1.00 0.00 H new ATOM 0 HA ASP A 72 78.722 21.738 2.902 1.00 0.00 H new ATOM 0 HB2 ASP A 72 81.082 21.776 2.079 1.00 0.00 H new ATOM 0 HB3 ASP A 72 80.766 23.295 1.266 1.00 0.00 H new ATOM 1168 N LEU A 73 78.052 24.214 0.839 1.00 0.00 N ATOM 1169 CA LEU A 73 77.274 25.439 0.686 1.00 0.00 C ATOM 1170 C LEU A 73 75.790 25.173 0.915 1.00 0.00 C ATOM 1171 O LEU A 73 75.132 25.879 1.679 1.00 0.00 O ATOM 1172 CB LEU A 73 77.489 26.032 -0.707 1.00 0.00 C ATOM 1173 CG LEU A 73 78.839 26.708 -0.948 1.00 0.00 C ATOM 1174 CD1 LEU A 73 79.777 25.776 -1.699 1.00 0.00 C ATOM 1175 CD2 LEU A 73 78.655 28.011 -1.712 1.00 0.00 C ATOM 0 H LEU A 73 78.494 23.886 -0.020 1.00 0.00 H new ATOM 0 HA LEU A 73 77.616 26.154 1.435 1.00 0.00 H new ATOM 0 HB2 LEU A 73 77.368 25.236 -1.441 1.00 0.00 H new ATOM 0 HB3 LEU A 73 76.701 26.762 -0.895 1.00 0.00 H new ATOM 0 HG LEU A 73 79.286 26.937 0.019 1.00 0.00 H new ATOM 0 HD11 LEU A 73 80.733 26.275 -1.861 1.00 0.00 H new ATOM 0 HD12 LEU A 73 79.935 24.870 -1.114 1.00 0.00 H new ATOM 0 HD13 LEU A 73 79.337 25.514 -2.661 1.00 0.00 H new ATOM 0 HD21 LEU A 73 79.626 28.478 -1.874 1.00 0.00 H new ATOM 0 HD22 LEU A 73 78.186 27.805 -2.674 1.00 0.00 H new ATOM 0 HD23 LEU A 73 78.021 28.684 -1.136 1.00 0.00 H new ATOM 1187 N LYS A 74 75.268 24.148 0.249 1.00 0.00 N ATOM 1188 CA LYS A 74 73.862 23.785 0.382 1.00 0.00 C ATOM 1189 C LYS A 74 73.556 23.299 1.795 1.00 0.00 C ATOM 1190 O LYS A 74 72.554 23.692 2.393 1.00 0.00 O ATOM 1191 CB LYS A 74 73.497 22.699 -0.632 1.00 0.00 C ATOM 1192 CG LYS A 74 72.000 22.511 -0.809 1.00 0.00 C ATOM 1193 CD LYS A 74 71.437 21.533 0.209 1.00 0.00 C ATOM 1194 CE LYS A 74 70.216 20.806 -0.333 1.00 0.00 C ATOM 1195 NZ LYS A 74 69.955 19.537 0.402 1.00 0.00 N ATOM 0 H LYS A 74 75.798 23.554 -0.389 1.00 0.00 H new ATOM 0 HA LYS A 74 73.263 24.674 0.185 1.00 0.00 H new ATOM 0 HB2 LYS A 74 73.940 22.950 -1.596 1.00 0.00 H new ATOM 0 HB3 LYS A 74 73.938 21.754 -0.315 1.00 0.00 H new ATOM 0 HG2 LYS A 74 71.497 23.473 -0.708 1.00 0.00 H new ATOM 0 HG3 LYS A 74 71.794 22.148 -1.816 1.00 0.00 H new ATOM 0 HD2 LYS A 74 72.203 20.807 0.480 1.00 0.00 H new ATOM 0 HD3 LYS A 74 71.169 22.068 1.120 1.00 0.00 H new ATOM 0 HE2 LYS A 74 69.344 21.455 -0.258 1.00 0.00 H new ATOM 0 HE3 LYS A 74 70.362 20.589 -1.391 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 69.115 19.071 0.003 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 70.777 18.907 0.310 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 69.790 19.746 1.407 1.00 0.00 H new ATOM 1209 N ASP A 75 74.426 22.445 2.323 1.00 0.00 N ATOM 1210 CA ASP A 75 74.250 21.908 3.667 1.00 0.00 C ATOM 1211 C ASP A 75 74.356 23.014 4.713 1.00 0.00 C ATOM 1212 O ASP A 75 73.625 23.019 5.704 1.00 0.00 O ATOM 1213 CB ASP A 75 75.292 20.824 3.947 1.00 0.00 C ATOM 1214 CG ASP A 75 74.955 19.999 5.173 1.00 0.00 C ATOM 1215 OD1 ASP A 75 73.770 19.644 5.342 1.00 0.00 O ATOM 1216 OD2 ASP A 75 75.877 19.708 5.964 1.00 0.00 O ATOM 0 H ASP A 75 75.260 22.110 1.841 1.00 0.00 H new ATOM 0 HA ASP A 75 73.254 21.469 3.728 1.00 0.00 H new ATOM 0 HB2 ASP A 75 75.370 20.167 3.081 1.00 0.00 H new ATOM 0 HB3 ASP A 75 76.268 21.289 4.083 1.00 0.00 H new ATOM 1221 N LYS A 76 75.271 23.951 4.485 1.00 0.00 N ATOM 1222 CA LYS A 76 75.473 25.063 5.406 1.00 0.00 C ATOM 1223 C LYS A 76 74.229 25.942 5.479 1.00 0.00 C ATOM 1224 O LYS A 76 73.764 26.287 6.566 1.00 0.00 O ATOM 1225 CB LYS A 76 76.678 25.900 4.971 1.00 0.00 C ATOM 1226 CG LYS A 76 76.929 27.110 5.854 1.00 0.00 C ATOM 1227 CD LYS A 76 77.451 26.702 7.222 1.00 0.00 C ATOM 1228 CE LYS A 76 78.928 26.342 7.171 1.00 0.00 C ATOM 1229 NZ LYS A 76 79.355 25.581 8.377 1.00 0.00 N ATOM 0 H LYS A 76 75.884 23.962 3.670 1.00 0.00 H new ATOM 0 HA LYS A 76 75.664 24.651 6.397 1.00 0.00 H new ATOM 0 HB2 LYS A 76 77.567 25.269 4.972 1.00 0.00 H new ATOM 0 HB3 LYS A 76 76.526 26.235 3.945 1.00 0.00 H new ATOM 0 HG2 LYS A 76 77.649 27.771 5.371 1.00 0.00 H new ATOM 0 HG3 LYS A 76 76.004 27.675 5.970 1.00 0.00 H new ATOM 0 HD2 LYS A 76 77.299 27.518 7.929 1.00 0.00 H new ATOM 0 HD3 LYS A 76 76.880 25.850 7.591 1.00 0.00 H new ATOM 0 HE2 LYS A 76 79.127 25.749 6.278 1.00 0.00 H new ATOM 0 HE3 LYS A 76 79.521 27.253 7.087 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 80.367 25.355 8.304 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 79.189 26.156 9.227 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 78.807 24.700 8.443 1.00 0.00 H new ATOM 1243 N TRP A 77 73.695 26.301 4.317 1.00 0.00 N ATOM 1244 CA TRP A 77 72.503 27.139 4.250 1.00 0.00 C ATOM 1245 C TRP A 77 71.337 26.488 4.986 1.00 0.00 C ATOM 1246 O TRP A 77 70.714 27.103 5.851 1.00 0.00 O ATOM 1247 CB TRP A 77 72.121 27.401 2.793 1.00 0.00 C ATOM 1248 CG TRP A 77 70.754 27.996 2.636 1.00 0.00 C ATOM 1249 CD1 TRP A 77 70.321 29.195 3.125 1.00 0.00 C ATOM 1250 CD2 TRP A 77 69.642 27.418 1.943 1.00 0.00 C ATOM 1251 NE1 TRP A 77 69.007 29.397 2.779 1.00 0.00 N ATOM 1252 CE2 TRP A 77 68.567 28.322 2.052 1.00 0.00 C ATOM 1253 CE3 TRP A 77 69.450 26.226 1.239 1.00 0.00 C ATOM 1254 CZ2 TRP A 77 67.321 28.069 1.485 1.00 0.00 C ATOM 1255 CZ3 TRP A 77 68.213 25.976 0.677 1.00 0.00 C ATOM 1256 CH2 TRP A 77 67.162 26.894 0.802 1.00 0.00 C ATOM 0 H TRP A 77 74.068 26.025 3.409 1.00 0.00 H new ATOM 0 HA TRP A 77 72.729 28.088 4.735 1.00 0.00 H new ATOM 0 HB2 TRP A 77 72.855 28.072 2.347 1.00 0.00 H new ATOM 0 HB3 TRP A 77 72.168 26.464 2.238 1.00 0.00 H new ATOM 0 HD1 TRP A 77 70.923 29.883 3.699 1.00 0.00 H new ATOM 0 HE1 TRP A 77 68.449 30.215 3.024 1.00 0.00 H new ATOM 0 HE3 TRP A 77 70.255 25.513 1.136 1.00 0.00 H new ATOM 0 HZ2 TRP A 77 66.509 28.775 1.581 1.00 0.00 H new ATOM 0 HZ3 TRP A 77 68.053 25.057 0.132 1.00 0.00 H new ATOM 0 HH2 TRP A 77 66.207 26.670 0.350 1.00 0.00 H new ATOM 1267 N LYS A 78 71.047 25.239 4.637 1.00 0.00 N ATOM 1268 CA LYS A 78 69.956 24.503 5.266 1.00 0.00 C ATOM 1269 C LYS A 78 70.177 24.382 6.770 1.00 0.00 C ATOM 1270 O LYS A 78 69.270 24.637 7.564 1.00 0.00 O ATOM 1271 CB LYS A 78 69.830 23.110 4.644 1.00 0.00 C ATOM 1272 CG LYS A 78 68.824 22.218 5.352 1.00 0.00 C ATOM 1273 CD LYS A 78 67.420 22.796 5.282 1.00 0.00 C ATOM 1274 CE LYS A 78 66.370 21.750 5.624 1.00 0.00 C ATOM 1275 NZ LYS A 78 66.086 20.851 4.471 1.00 0.00 N ATOM 0 H LYS A 78 71.552 24.715 3.922 1.00 0.00 H new ATOM 0 HA LYS A 78 69.032 25.056 5.096 1.00 0.00 H new ATOM 0 HB2 LYS A 78 69.540 23.213 3.598 1.00 0.00 H new ATOM 0 HB3 LYS A 78 70.806 22.625 4.658 1.00 0.00 H new ATOM 0 HG2 LYS A 78 68.833 21.227 4.899 1.00 0.00 H new ATOM 0 HG3 LYS A 78 69.116 22.095 6.395 1.00 0.00 H new ATOM 0 HD2 LYS A 78 67.336 23.636 5.971 1.00 0.00 H new ATOM 0 HD3 LYS A 78 67.235 23.185 4.281 1.00 0.00 H new ATOM 0 HE2 LYS A 78 66.712 21.156 6.472 1.00 0.00 H new ATOM 0 HE3 LYS A 78 65.450 22.246 5.933 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 65.366 20.153 4.745 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 65.736 21.414 3.670 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 66.958 20.358 4.192 1.00 0.00 H new ATOM 1289 N THR A 79 71.388 23.993 7.157 1.00 0.00 N ATOM 1290 CA THR A 79 71.728 23.840 8.566 1.00 0.00 C ATOM 1291 C THR A 79 71.547 25.151 9.321 1.00 0.00 C ATOM 1292 O THR A 79 70.874 25.199 10.352 1.00 0.00 O ATOM 1293 CB THR A 79 73.178 23.353 8.744 1.00 0.00 C ATOM 1294 OG1 THR A 79 73.351 22.083 8.105 1.00 0.00 O ATOM 1295 CG2 THR A 79 73.532 23.236 10.219 1.00 0.00 C ATOM 0 H THR A 79 72.150 23.778 6.514 1.00 0.00 H new ATOM 0 HA THR A 79 71.049 23.092 8.976 1.00 0.00 H new ATOM 0 HB THR A 79 73.842 24.084 8.283 1.00 0.00 H new ATOM 0 HG1 THR A 79 73.158 22.169 7.148 1.00 0.00 H new ATOM 0 HG21 THR A 79 74.561 22.890 10.320 1.00 0.00 H new ATOM 0 HG22 THR A 79 73.428 24.210 10.697 1.00 0.00 H new ATOM 0 HG23 THR A 79 72.861 22.523 10.699 1.00 0.00 H new ATOM 1303 N LEU A 80 72.151 26.215 8.803 1.00 0.00 N ATOM 1304 CA LEU A 80 72.056 27.529 9.428 1.00 0.00 C ATOM 1305 C LEU A 80 70.601 27.970 9.551 1.00 0.00 C ATOM 1306 O LEU A 80 70.234 28.682 10.486 1.00 0.00 O ATOM 1307 CB LEU A 80 72.846 28.559 8.619 1.00 0.00 C ATOM 1308 CG LEU A 80 72.030 29.436 7.668 1.00 0.00 C ATOM 1309 CD1 LEU A 80 71.427 30.615 8.415 1.00 0.00 C ATOM 1310 CD2 LEU A 80 72.895 29.919 6.513 1.00 0.00 C ATOM 0 H LEU A 80 72.712 26.193 7.951 1.00 0.00 H new ATOM 0 HA LEU A 80 72.481 27.459 10.429 1.00 0.00 H new ATOM 0 HB2 LEU A 80 73.376 29.209 9.315 1.00 0.00 H new ATOM 0 HB3 LEU A 80 73.602 28.032 8.037 1.00 0.00 H new ATOM 0 HG LEU A 80 71.216 28.837 7.260 1.00 0.00 H new ATOM 0 HD11 LEU A 80 70.850 31.228 7.722 1.00 0.00 H new ATOM 0 HD12 LEU A 80 70.773 30.248 9.206 1.00 0.00 H new ATOM 0 HD13 LEU A 80 72.225 31.215 8.852 1.00 0.00 H new ATOM 0 HD21 LEU A 80 72.298 30.541 5.847 1.00 0.00 H new ATOM 0 HD22 LEU A 80 73.730 30.502 6.903 1.00 0.00 H new ATOM 0 HD23 LEU A 80 73.278 29.060 5.961 1.00 0.00 H new ATOM 1322 N VAL A 81 69.776 27.541 8.602 1.00 0.00 N ATOM 1323 CA VAL A 81 68.360 27.888 8.606 1.00 0.00 C ATOM 1324 C VAL A 81 67.633 27.218 9.766 1.00 0.00 C ATOM 1325 O VAL A 81 66.836 27.850 10.461 1.00 0.00 O ATOM 1326 CB VAL A 81 67.679 27.483 7.285 1.00 0.00 C ATOM 1327 CG1 VAL A 81 66.165 27.542 7.424 1.00 0.00 C ATOM 1328 CG2 VAL A 81 68.153 28.373 6.146 1.00 0.00 C ATOM 0 H VAL A 81 70.064 26.952 7.820 1.00 0.00 H new ATOM 0 HA VAL A 81 68.300 28.970 8.720 1.00 0.00 H new ATOM 0 HB VAL A 81 67.959 26.455 7.053 1.00 0.00 H new ATOM 0 HG11 VAL A 81 65.701 27.253 6.481 1.00 0.00 H new ATOM 0 HG12 VAL A 81 65.845 26.858 8.210 1.00 0.00 H new ATOM 0 HG13 VAL A 81 65.862 28.557 7.680 1.00 0.00 H new ATOM 0 HG21 VAL A 81 67.662 28.072 5.221 1.00 0.00 H new ATOM 0 HG22 VAL A 81 67.905 29.411 6.368 1.00 0.00 H new ATOM 0 HG23 VAL A 81 69.233 28.274 6.032 1.00 0.00 H new ATOM 1338 N HIS A 82 67.912 25.935 9.971 1.00 0.00 N ATOM 1339 CA HIS A 82 67.285 25.179 11.049 1.00 0.00 C ATOM 1340 C HIS A 82 67.656 25.762 12.409 1.00 0.00 C ATOM 1341 O HIS A 82 66.817 25.859 13.306 1.00 0.00 O ATOM 1342 CB HIS A 82 67.704 23.710 10.980 1.00 0.00 C ATOM 1343 CG HIS A 82 67.038 22.848 12.008 1.00 0.00 C ATOM 1344 ND1 HIS A 82 65.670 22.799 12.177 1.00 0.00 N ATOM 1345 CD2 HIS A 82 67.559 21.998 12.924 1.00 0.00 C ATOM 1346 CE1 HIS A 82 65.379 21.957 13.152 1.00 0.00 C ATOM 1347 NE2 HIS A 82 66.507 21.457 13.622 1.00 0.00 N ATOM 0 H HIS A 82 68.568 25.397 9.405 1.00 0.00 H new ATOM 0 HA HIS A 82 66.204 25.248 10.927 1.00 0.00 H new ATOM 0 HB2 HIS A 82 67.474 23.321 9.988 1.00 0.00 H new ATOM 0 HB3 HIS A 82 68.785 23.643 11.106 1.00 0.00 H new ATOM 0 HD2 HIS A 82 68.607 21.785 13.077 1.00 0.00 H new ATOM 0 HE1 HIS A 82 64.387 21.718 13.505 1.00 0.00 H new ATOM 0 HE2 HIS A 82 66.585 20.779 14.380 1.00 0.00 H new ATOM 1355 N THR A 83 68.919 26.150 12.558 1.00 0.00 N ATOM 1356 CA THR A 83 69.401 26.722 13.808 1.00 0.00 C ATOM 1357 C THR A 83 68.866 28.135 14.010 1.00 0.00 C ATOM 1358 O THR A 83 68.675 28.581 15.140 1.00 0.00 O ATOM 1359 CB THR A 83 70.941 26.757 13.853 1.00 0.00 C ATOM 1360 OG1 THR A 83 71.465 25.431 13.725 1.00 0.00 O ATOM 1361 CG2 THR A 83 71.430 27.378 15.153 1.00 0.00 C ATOM 0 H THR A 83 69.627 26.078 11.827 1.00 0.00 H new ATOM 0 HA THR A 83 69.035 26.081 14.610 1.00 0.00 H new ATOM 0 HB THR A 83 71.293 27.368 13.022 1.00 0.00 H new ATOM 0 HG1 THR A 83 72.444 25.462 13.753 1.00 0.00 H new ATOM 0 HG21 THR A 83 72.520 27.392 15.162 1.00 0.00 H new ATOM 0 HG22 THR A 83 71.053 28.398 15.233 1.00 0.00 H new ATOM 0 HG23 THR A 83 71.068 26.790 15.996 1.00 0.00 H new ATOM 1369 N ALA A 84 68.624 28.834 12.905 1.00 0.00 N ATOM 1370 CA ALA A 84 68.108 30.196 12.961 1.00 0.00 C ATOM 1371 C ALA A 84 66.586 30.202 13.057 1.00 0.00 C ATOM 1372 O ALA A 84 65.971 31.251 13.250 1.00 0.00 O ATOM 1373 CB ALA A 84 68.565 30.984 11.742 1.00 0.00 C ATOM 0 H ALA A 84 68.777 28.479 11.961 1.00 0.00 H new ATOM 0 HA ALA A 84 68.505 30.672 13.857 1.00 0.00 H new ATOM 0 HB1 ALA A 84 68.172 31.999 11.797 1.00 0.00 H new ATOM 0 HB2 ALA A 84 69.654 31.017 11.717 1.00 0.00 H new ATOM 0 HB3 ALA A 84 68.196 30.501 10.837 1.00 0.00 H new ATOM 1379 N SER A 85 65.984 29.025 12.921 1.00 0.00 N ATOM 1380 CA SER A 85 64.533 28.896 12.988 1.00 0.00 C ATOM 1381 C SER A 85 64.103 28.281 14.317 1.00 0.00 C ATOM 1382 O SER A 85 63.057 28.630 14.864 1.00 0.00 O ATOM 1383 CB SER A 85 64.022 28.039 11.828 1.00 0.00 C ATOM 1384 OG SER A 85 62.655 28.303 11.563 1.00 0.00 O ATOM 0 H SER A 85 66.479 28.147 12.764 1.00 0.00 H new ATOM 0 HA SER A 85 64.100 29.894 12.912 1.00 0.00 H new ATOM 0 HB2 SER A 85 64.614 28.239 10.935 1.00 0.00 H new ATOM 0 HB3 SER A 85 64.152 26.983 12.067 1.00 0.00 H new ATOM 0 HG SER A 85 62.353 27.744 10.817 1.00 0.00 H new ATOM 1390 N ILE A 86 64.918 27.365 14.829 1.00 0.00 N ATOM 1391 CA ILE A 86 64.623 26.703 16.093 1.00 0.00 C ATOM 1392 C ILE A 86 64.347 27.720 17.196 1.00 0.00 C ATOM 1393 O ILE A 86 64.513 28.923 16.999 1.00 0.00 O ATOM 1394 CB ILE A 86 65.781 25.787 16.532 1.00 0.00 C ATOM 1395 CG1 ILE A 86 67.111 26.540 16.458 1.00 0.00 C ATOM 1396 CG2 ILE A 86 65.824 24.536 15.668 1.00 0.00 C ATOM 1397 CD1 ILE A 86 68.269 25.783 17.070 1.00 0.00 C ATOM 0 H ILE A 86 65.787 27.065 14.388 1.00 0.00 H new ATOM 0 HA ILE A 86 63.732 26.096 15.931 1.00 0.00 H new ATOM 0 HB ILE A 86 65.614 25.484 17.566 1.00 0.00 H new ATOM 0 HG12 ILE A 86 67.340 26.756 15.414 1.00 0.00 H new ATOM 0 HG13 ILE A 86 67.005 27.499 16.966 1.00 0.00 H new ATOM 0 HG21 ILE A 86 66.648 23.899 15.991 1.00 0.00 H new ATOM 0 HG22 ILE A 86 64.884 23.993 15.768 1.00 0.00 H new ATOM 0 HG23 ILE A 86 65.971 24.819 14.626 1.00 0.00 H new ATOM 0 HD11 ILE A 86 69.179 26.377 16.982 1.00 0.00 H new ATOM 0 HD12 ILE A 86 68.062 25.590 18.123 1.00 0.00 H new ATOM 0 HD13 ILE A 86 68.402 24.836 16.547 1.00 0.00 H new ATOM 1409 N ALA A 87 63.927 27.227 18.356 1.00 0.00 N ATOM 1410 CA ALA A 87 63.633 28.092 19.492 1.00 0.00 C ATOM 1411 C ALA A 87 64.795 29.036 19.779 1.00 0.00 C ATOM 1412 O ALA A 87 65.931 28.806 19.362 1.00 0.00 O ATOM 1413 CB ALA A 87 63.312 27.257 20.722 1.00 0.00 C ATOM 0 H ALA A 87 63.783 26.233 18.534 1.00 0.00 H new ATOM 0 HA ALA A 87 62.762 28.697 19.240 1.00 0.00 H new ATOM 0 HB1 ALA A 87 63.095 27.916 21.563 1.00 0.00 H new ATOM 0 HB2 ALA A 87 62.444 26.629 20.519 1.00 0.00 H new ATOM 0 HB3 ALA A 87 64.167 26.627 20.967 1.00 0.00 H new ATOM 1419 N PRO A 88 64.508 30.125 20.508 1.00 0.00 N ATOM 1420 CA PRO A 88 65.517 31.126 20.867 1.00 0.00 C ATOM 1421 C PRO A 88 66.527 30.594 21.879 1.00 0.00 C ATOM 1422 O PRO A 88 67.707 30.940 21.831 1.00 0.00 O ATOM 1423 CB PRO A 88 64.691 32.258 21.481 1.00 0.00 C ATOM 1424 CG PRO A 88 63.456 31.595 21.987 1.00 0.00 C ATOM 1425 CD PRO A 88 63.177 30.462 21.038 1.00 0.00 C ATOM 0 HA PRO A 88 66.111 31.432 20.006 1.00 0.00 H new ATOM 0 HB2 PRO A 88 65.234 32.752 22.287 1.00 0.00 H new ATOM 0 HB3 PRO A 88 64.455 33.022 20.741 1.00 0.00 H new ATOM 0 HG2 PRO A 88 63.599 31.227 23.003 1.00 0.00 H new ATOM 0 HG3 PRO A 88 62.621 32.295 22.016 1.00 0.00 H new ATOM 0 HD2 PRO A 88 62.721 29.614 21.548 1.00 0.00 H new ATOM 0 HD3 PRO A 88 62.493 30.762 20.244 1.00 0.00 H new ATOM 1433 N GLN A 89 66.055 29.752 22.792 1.00 0.00 N ATOM 1434 CA GLN A 89 66.917 29.173 23.815 1.00 0.00 C ATOM 1435 C GLN A 89 68.051 28.373 23.182 1.00 0.00 C ATOM 1436 O GLN A 89 69.087 28.146 23.807 1.00 0.00 O ATOM 1437 CB GLN A 89 66.104 28.276 24.751 1.00 0.00 C ATOM 1438 CG GLN A 89 65.330 27.186 24.027 1.00 0.00 C ATOM 1439 CD GLN A 89 64.556 26.293 24.976 1.00 0.00 C ATOM 1440 OE1 GLN A 89 63.325 26.264 24.956 1.00 0.00 O ATOM 1441 NE2 GLN A 89 65.275 25.556 25.815 1.00 0.00 N ATOM 0 H GLN A 89 65.080 29.456 22.844 1.00 0.00 H new ATOM 0 HA GLN A 89 67.351 29.989 24.393 1.00 0.00 H new ATOM 0 HB2 GLN A 89 66.777 27.814 25.473 1.00 0.00 H new ATOM 0 HB3 GLN A 89 65.405 28.893 25.316 1.00 0.00 H new ATOM 0 HG2 GLN A 89 64.639 27.645 23.320 1.00 0.00 H new ATOM 0 HG3 GLN A 89 66.023 26.578 23.446 1.00 0.00 H new ATOM 0 HE21 GLN A 89 66.293 25.611 25.798 1.00 0.00 H new ATOM 0 HE22 GLN A 89 64.809 24.935 26.477 1.00 0.00 H new ATOM 1450 N GLN A 90 67.847 27.947 21.940 1.00 0.00 N ATOM 1451 CA GLN A 90 68.852 27.171 21.224 1.00 0.00 C ATOM 1452 C GLN A 90 69.624 28.051 20.246 1.00 0.00 C ATOM 1453 O GLN A 90 70.714 27.692 19.800 1.00 0.00 O ATOM 1454 CB GLN A 90 68.193 26.012 20.474 1.00 0.00 C ATOM 1455 CG GLN A 90 67.465 25.036 21.383 1.00 0.00 C ATOM 1456 CD GLN A 90 68.365 24.452 22.454 1.00 0.00 C ATOM 1457 OE1 GLN A 90 69.589 24.448 22.317 1.00 0.00 O ATOM 1458 NE2 GLN A 90 67.763 23.955 23.528 1.00 0.00 N ATOM 0 H GLN A 90 66.995 28.126 21.409 1.00 0.00 H new ATOM 0 HA GLN A 90 69.553 26.769 21.955 1.00 0.00 H new ATOM 0 HB2 GLN A 90 67.487 26.415 19.747 1.00 0.00 H new ATOM 0 HB3 GLN A 90 68.956 25.473 19.912 1.00 0.00 H new ATOM 0 HG2 GLN A 90 66.625 25.544 21.857 1.00 0.00 H new ATOM 0 HG3 GLN A 90 67.050 24.227 20.782 1.00 0.00 H new ATOM 0 HE21 GLN A 90 66.746 23.979 23.600 1.00 0.00 H new ATOM 0 HE22 GLN A 90 68.318 23.549 24.282 1.00 0.00 H new ATOM 1467 N ARG A 91 69.052 29.205 19.917 1.00 0.00 N ATOM 1468 CA ARG A 91 69.686 30.135 18.991 1.00 0.00 C ATOM 1469 C ARG A 91 70.867 30.840 19.652 1.00 0.00 C ATOM 1470 O ARG A 91 70.767 32.002 20.047 1.00 0.00 O ATOM 1471 CB ARG A 91 68.672 31.169 18.499 1.00 0.00 C ATOM 1472 CG ARG A 91 68.046 30.819 17.158 1.00 0.00 C ATOM 1473 CD ARG A 91 67.423 32.039 16.499 1.00 0.00 C ATOM 1474 NE ARG A 91 66.562 32.778 17.418 1.00 0.00 N ATOM 1475 CZ ARG A 91 65.930 33.900 17.091 1.00 0.00 C ATOM 1476 NH1 ARG A 91 66.063 34.410 15.874 1.00 0.00 N ATOM 1477 NH2 ARG A 91 65.164 34.515 17.983 1.00 0.00 N ATOM 0 H ARG A 91 68.151 29.518 20.278 1.00 0.00 H new ATOM 0 HA ARG A 91 70.056 29.565 18.139 1.00 0.00 H new ATOM 0 HB2 ARG A 91 67.882 31.273 19.243 1.00 0.00 H new ATOM 0 HB3 ARG A 91 69.164 32.138 18.419 1.00 0.00 H new ATOM 0 HG2 ARG A 91 68.805 30.397 16.500 1.00 0.00 H new ATOM 0 HG3 ARG A 91 67.285 30.052 17.300 1.00 0.00 H new ATOM 0 HD2 ARG A 91 68.212 32.696 16.134 1.00 0.00 H new ATOM 0 HD3 ARG A 91 66.842 31.725 15.631 1.00 0.00 H new ATOM 0 HE ARG A 91 66.439 32.413 18.362 1.00 0.00 H new ATOM 0 HH11 ARG A 91 66.652 33.941 15.186 1.00 0.00 H new ATOM 0 HH12 ARG A 91 65.576 35.272 15.626 1.00 0.00 H new ATOM 0 HH21 ARG A 91 65.060 34.126 18.920 1.00 0.00 H new ATOM 0 HH22 ARG A 91 64.679 35.376 17.731 1.00 0.00 H new ATOM 1491 N ARG A 92 71.984 30.129 19.768 1.00 0.00 N ATOM 1492 CA ARG A 92 73.183 30.686 20.383 1.00 0.00 C ATOM 1493 C ARG A 92 74.398 30.489 19.481 1.00 0.00 C ATOM 1494 O ARG A 92 75.483 30.148 19.949 1.00 0.00 O ATOM 1495 CB ARG A 92 73.434 30.035 21.744 1.00 0.00 C ATOM 1496 CG ARG A 92 74.295 30.876 22.672 1.00 0.00 C ATOM 1497 CD ARG A 92 74.695 30.099 23.917 1.00 0.00 C ATOM 1498 NE ARG A 92 75.948 30.587 24.487 1.00 0.00 N ATOM 1499 CZ ARG A 92 76.611 29.958 25.451 1.00 0.00 C ATOM 1500 NH1 ARG A 92 76.143 28.822 25.949 1.00 0.00 N ATOM 1501 NH2 ARG A 92 77.745 30.466 25.918 1.00 0.00 N ATOM 0 H ARG A 92 72.084 29.167 19.444 1.00 0.00 H new ATOM 0 HA ARG A 92 73.025 31.755 20.523 1.00 0.00 H new ATOM 0 HB2 ARG A 92 72.476 29.842 22.227 1.00 0.00 H new ATOM 0 HB3 ARG A 92 73.915 29.069 21.592 1.00 0.00 H new ATOM 0 HG2 ARG A 92 75.190 31.203 22.143 1.00 0.00 H new ATOM 0 HG3 ARG A 92 73.750 31.774 22.962 1.00 0.00 H new ATOM 0 HD2 ARG A 92 73.903 30.176 24.662 1.00 0.00 H new ATOM 0 HD3 ARG A 92 74.797 29.043 23.668 1.00 0.00 H new ATOM 0 HE ARG A 92 76.335 31.458 24.125 1.00 0.00 H new ATOM 0 HH11 ARG A 92 75.272 28.429 25.592 1.00 0.00 H new ATOM 0 HH12 ARG A 92 76.654 28.341 26.689 1.00 0.00 H new ATOM 0 HH21 ARG A 92 78.108 31.340 25.537 1.00 0.00 H new ATOM 0 HH22 ARG A 92 78.254 29.983 26.658 1.00 0.00 H new ATOM 1515 N GLY A 93 74.206 30.704 18.183 1.00 0.00 N ATOM 1516 CA GLY A 93 75.294 30.545 17.236 1.00 0.00 C ATOM 1517 C GLY A 93 76.341 31.633 17.367 1.00 0.00 C ATOM 1518 O GLY A 93 76.657 32.070 18.473 1.00 0.00 O ATOM 0 H GLY A 93 73.317 30.985 17.771 1.00 0.00 H new ATOM 0 HA2 GLY A 93 75.764 29.573 17.387 1.00 0.00 H new ATOM 0 HA3 GLY A 93 74.893 30.551 16.222 1.00 0.00 H new ATOM 1522 N ALA A 94 76.883 32.070 16.234 1.00 0.00 N ATOM 1523 CA ALA A 94 77.900 33.114 16.228 1.00 0.00 C ATOM 1524 C ALA A 94 77.269 34.497 16.341 1.00 0.00 C ATOM 1525 O ALA A 94 76.083 34.689 16.070 1.00 0.00 O ATOM 1526 CB ALA A 94 78.745 33.019 14.966 1.00 0.00 C ATOM 0 H ALA A 94 76.635 31.717 15.310 1.00 0.00 H new ATOM 0 HA ALA A 94 78.543 32.965 17.096 1.00 0.00 H new ATOM 0 HB1 ALA A 94 79.501 33.804 14.974 1.00 0.00 H new ATOM 0 HB2 ALA A 94 79.234 32.046 14.928 1.00 0.00 H new ATOM 0 HB3 ALA A 94 78.107 33.139 14.091 1.00 0.00 H new ATOM 1532 N PRO A 95 78.077 35.486 16.751 1.00 0.00 N ATOM 1533 CA PRO A 95 77.618 36.869 16.909 1.00 0.00 C ATOM 1534 C PRO A 95 77.318 37.537 15.572 1.00 0.00 C ATOM 1535 O PRO A 95 78.115 38.329 15.069 1.00 0.00 O ATOM 1536 CB PRO A 95 78.799 37.558 17.598 1.00 0.00 C ATOM 1537 CG PRO A 95 79.988 36.747 17.212 1.00 0.00 C ATOM 1538 CD PRO A 95 79.501 35.330 17.091 1.00 0.00 C ATOM 0 HA PRO A 95 76.686 36.927 17.471 1.00 0.00 H new ATOM 0 HB2 PRO A 95 78.901 38.592 17.269 1.00 0.00 H new ATOM 0 HB3 PRO A 95 78.669 37.579 18.680 1.00 0.00 H new ATOM 0 HG2 PRO A 95 80.410 37.097 16.270 1.00 0.00 H new ATOM 0 HG3 PRO A 95 80.775 36.827 17.962 1.00 0.00 H new ATOM 0 HD2 PRO A 95 80.041 34.784 16.317 1.00 0.00 H new ATOM 0 HD3 PRO A 95 79.634 34.779 18.022 1.00 0.00 H new ATOM 1546 N VAL A 96 76.162 37.213 15.000 1.00 0.00 N ATOM 1547 CA VAL A 96 75.756 37.783 13.721 1.00 0.00 C ATOM 1548 C VAL A 96 74.422 38.512 13.843 1.00 0.00 C ATOM 1549 O VAL A 96 73.615 38.236 14.731 1.00 0.00 O ATOM 1550 CB VAL A 96 75.638 36.698 12.635 1.00 0.00 C ATOM 1551 CG1 VAL A 96 77.011 36.329 12.096 1.00 0.00 C ATOM 1552 CG2 VAL A 96 74.925 35.471 13.184 1.00 0.00 C ATOM 0 H VAL A 96 75.491 36.559 15.402 1.00 0.00 H new ATOM 0 HA VAL A 96 76.530 38.494 13.431 1.00 0.00 H new ATOM 0 HB VAL A 96 75.046 37.097 11.811 1.00 0.00 H new ATOM 0 HG11 VAL A 96 76.907 35.561 11.330 1.00 0.00 H new ATOM 0 HG12 VAL A 96 77.481 37.212 11.663 1.00 0.00 H new ATOM 0 HG13 VAL A 96 77.631 35.949 12.908 1.00 0.00 H new ATOM 0 HG21 VAL A 96 74.850 34.714 12.403 1.00 0.00 H new ATOM 0 HG22 VAL A 96 75.488 35.069 14.026 1.00 0.00 H new ATOM 0 HG23 VAL A 96 73.925 35.750 13.516 1.00 0.00 H new ATOM 1562 N PRO A 97 74.183 39.465 12.931 1.00 0.00 N ATOM 1563 CA PRO A 97 72.947 40.253 12.914 1.00 0.00 C ATOM 1564 C PRO A 97 71.735 39.422 12.507 1.00 0.00 C ATOM 1565 O PRO A 97 71.835 38.540 11.655 1.00 0.00 O ATOM 1566 CB PRO A 97 73.230 41.334 11.868 1.00 0.00 C ATOM 1567 CG PRO A 97 74.257 40.735 10.971 1.00 0.00 C ATOM 1568 CD PRO A 97 75.101 39.847 11.844 1.00 0.00 C ATOM 0 HA PRO A 97 72.702 40.648 13.900 1.00 0.00 H new ATOM 0 HB2 PRO A 97 72.327 41.597 11.316 1.00 0.00 H new ATOM 0 HB3 PRO A 97 73.596 42.249 12.334 1.00 0.00 H new ATOM 0 HG2 PRO A 97 73.789 40.164 10.169 1.00 0.00 H new ATOM 0 HG3 PRO A 97 74.863 41.509 10.500 1.00 0.00 H new ATOM 0 HD2 PRO A 97 75.464 38.975 11.299 1.00 0.00 H new ATOM 0 HD3 PRO A 97 75.977 40.372 12.224 1.00 0.00 H new ATOM 1576 N GLN A 98 70.592 39.710 13.121 1.00 0.00 N ATOM 1577 CA GLN A 98 69.362 38.988 12.822 1.00 0.00 C ATOM 1578 C GLN A 98 69.071 39.005 11.325 1.00 0.00 C ATOM 1579 O GLN A 98 68.426 38.099 10.799 1.00 0.00 O ATOM 1580 CB GLN A 98 68.187 39.599 13.589 1.00 0.00 C ATOM 1581 CG GLN A 98 67.764 40.963 13.067 1.00 0.00 C ATOM 1582 CD GLN A 98 66.976 41.760 14.088 1.00 0.00 C ATOM 1583 OE1 GLN A 98 67.283 42.921 14.357 1.00 0.00 O ATOM 1584 NE2 GLN A 98 65.954 41.138 14.664 1.00 0.00 N ATOM 0 H GLN A 98 70.493 40.438 13.828 1.00 0.00 H new ATOM 0 HA GLN A 98 69.493 37.953 13.137 1.00 0.00 H new ATOM 0 HB2 GLN A 98 67.337 38.919 13.536 1.00 0.00 H new ATOM 0 HB3 GLN A 98 68.458 39.690 14.641 1.00 0.00 H new ATOM 0 HG2 GLN A 98 68.650 41.527 12.776 1.00 0.00 H new ATOM 0 HG3 GLN A 98 67.160 40.833 12.169 1.00 0.00 H new ATOM 0 HE21 GLN A 98 65.735 40.175 14.411 1.00 0.00 H new ATOM 0 HE22 GLN A 98 65.388 41.624 15.360 1.00 0.00 H new ATOM 1593 N GLU A 99 69.551 40.042 10.646 1.00 0.00 N ATOM 1594 CA GLU A 99 69.341 40.177 9.209 1.00 0.00 C ATOM 1595 C GLU A 99 69.738 38.897 8.479 1.00 0.00 C ATOM 1596 O GLU A 99 69.148 38.543 7.457 1.00 0.00 O ATOM 1597 CB GLU A 99 70.143 41.359 8.662 1.00 0.00 C ATOM 1598 CG GLU A 99 71.638 41.100 8.592 1.00 0.00 C ATOM 1599 CD GLU A 99 72.460 42.344 8.871 1.00 0.00 C ATOM 1600 OE1 GLU A 99 72.027 43.167 9.704 1.00 0.00 O ATOM 1601 OE2 GLU A 99 73.536 42.493 8.255 1.00 0.00 O ATOM 0 H GLU A 99 70.087 40.800 11.067 1.00 0.00 H new ATOM 0 HA GLU A 99 68.280 40.358 9.038 1.00 0.00 H new ATOM 0 HB2 GLU A 99 69.778 41.604 7.665 1.00 0.00 H new ATOM 0 HB3 GLU A 99 69.963 42.231 9.290 1.00 0.00 H new ATOM 0 HG2 GLU A 99 71.903 40.325 9.312 1.00 0.00 H new ATOM 0 HG3 GLU A 99 71.891 40.716 7.603 1.00 0.00 H new ATOM 1608 N LEU A 100 70.743 38.208 9.009 1.00 0.00 N ATOM 1609 CA LEU A 100 71.221 36.968 8.409 1.00 0.00 C ATOM 1610 C LEU A 100 70.187 35.856 8.559 1.00 0.00 C ATOM 1611 O LEU A 100 69.941 35.092 7.624 1.00 0.00 O ATOM 1612 CB LEU A 100 72.541 36.542 9.053 1.00 0.00 C ATOM 1613 CG LEU A 100 73.661 37.583 9.040 1.00 0.00 C ATOM 1614 CD1 LEU A 100 75.011 36.917 9.253 1.00 0.00 C ATOM 1615 CD2 LEU A 100 73.649 38.362 7.732 1.00 0.00 C ATOM 0 H LEU A 100 71.242 38.488 9.853 1.00 0.00 H new ATOM 0 HA LEU A 100 71.383 37.147 7.346 1.00 0.00 H new ATOM 0 HB2 LEU A 100 72.344 36.263 10.088 1.00 0.00 H new ATOM 0 HB3 LEU A 100 72.898 35.647 8.544 1.00 0.00 H new ATOM 0 HG LEU A 100 73.491 38.282 9.859 1.00 0.00 H new ATOM 0 HD11 LEU A 100 75.796 37.673 9.241 1.00 0.00 H new ATOM 0 HD12 LEU A 100 75.016 36.404 10.215 1.00 0.00 H new ATOM 0 HD13 LEU A 100 75.190 36.195 8.456 1.00 0.00 H new ATOM 0 HD21 LEU A 100 74.452 39.099 7.740 1.00 0.00 H new ATOM 0 HD22 LEU A 100 73.794 37.675 6.898 1.00 0.00 H new ATOM 0 HD23 LEU A 100 72.692 38.871 7.620 1.00 0.00 H new ATOM 1627 N LEU A 101 69.582 35.773 9.738 1.00 0.00 N ATOM 1628 CA LEU A 101 68.572 34.756 10.011 1.00 0.00 C ATOM 1629 C LEU A 101 67.254 35.101 9.325 1.00 0.00 C ATOM 1630 O LEU A 101 66.449 34.218 9.027 1.00 0.00 O ATOM 1631 CB LEU A 101 68.355 34.616 11.518 1.00 0.00 C ATOM 1632 CG LEU A 101 69.587 34.241 12.342 1.00 0.00 C ATOM 1633 CD1 LEU A 101 70.613 33.530 11.475 1.00 0.00 C ATOM 1634 CD2 LEU A 101 70.195 35.479 12.985 1.00 0.00 C ATOM 0 H LEU A 101 69.773 36.398 10.521 1.00 0.00 H new ATOM 0 HA LEU A 101 68.930 33.807 9.613 1.00 0.00 H new ATOM 0 HB2 LEU A 101 67.962 35.559 11.897 1.00 0.00 H new ATOM 0 HB3 LEU A 101 67.587 33.861 11.686 1.00 0.00 H new ATOM 0 HG LEU A 101 69.277 33.559 13.134 1.00 0.00 H new ATOM 0 HD11 LEU A 101 71.483 33.271 12.079 1.00 0.00 H new ATOM 0 HD12 LEU A 101 70.174 32.622 11.063 1.00 0.00 H new ATOM 0 HD13 LEU A 101 70.919 34.187 10.661 1.00 0.00 H new ATOM 0 HD21 LEU A 101 71.071 35.193 13.568 1.00 0.00 H new ATOM 0 HD22 LEU A 101 70.490 36.185 12.208 1.00 0.00 H new ATOM 0 HD23 LEU A 101 69.460 35.947 13.640 1.00 0.00 H new ATOM 1646 N ASP A 102 67.042 36.388 9.076 1.00 0.00 N ATOM 1647 CA ASP A 102 65.823 36.850 8.422 1.00 0.00 C ATOM 1648 C ASP A 102 65.856 36.537 6.929 1.00 0.00 C ATOM 1649 O ASP A 102 64.845 36.148 6.344 1.00 0.00 O ATOM 1650 CB ASP A 102 65.641 38.353 8.637 1.00 0.00 C ATOM 1651 CG ASP A 102 64.439 38.903 7.893 1.00 0.00 C ATOM 1652 OD1 ASP A 102 64.593 39.274 6.711 1.00 0.00 O ATOM 1653 OD2 ASP A 102 63.346 38.962 8.494 1.00 0.00 O ATOM 0 H ASP A 102 67.698 37.131 9.317 1.00 0.00 H new ATOM 0 HA ASP A 102 64.979 36.323 8.867 1.00 0.00 H new ATOM 0 HB2 ASP A 102 65.528 38.554 9.702 1.00 0.00 H new ATOM 0 HB3 ASP A 102 66.539 38.876 8.307 1.00 0.00 H new ATOM 1658 N ARG A 103 67.023 36.712 6.319 1.00 0.00 N ATOM 1659 CA ARG A 103 67.187 36.451 4.893 1.00 0.00 C ATOM 1660 C ARG A 103 67.173 34.952 4.610 1.00 0.00 C ATOM 1661 O ARG A 103 66.524 34.493 3.670 1.00 0.00 O ATOM 1662 CB ARG A 103 68.494 37.065 4.388 1.00 0.00 C ATOM 1663 CG ARG A 103 69.726 36.568 5.127 1.00 0.00 C ATOM 1664 CD ARG A 103 70.981 37.294 4.668 1.00 0.00 C ATOM 1665 NE ARG A 103 71.458 36.801 3.379 1.00 0.00 N ATOM 1666 CZ ARG A 103 71.078 37.309 2.212 1.00 0.00 C ATOM 1667 NH1 ARG A 103 70.221 38.320 2.172 1.00 0.00 N ATOM 1668 NH2 ARG A 103 71.556 36.806 1.081 1.00 0.00 N ATOM 0 H ARG A 103 67.869 37.033 6.789 1.00 0.00 H new ATOM 0 HA ARG A 103 66.351 36.910 4.366 1.00 0.00 H new ATOM 0 HB2 ARG A 103 68.603 36.843 3.326 1.00 0.00 H new ATOM 0 HB3 ARG A 103 68.437 38.149 4.483 1.00 0.00 H new ATOM 0 HG2 ARG A 103 69.592 36.713 6.199 1.00 0.00 H new ATOM 0 HG3 ARG A 103 69.843 35.497 4.962 1.00 0.00 H new ATOM 0 HD2 ARG A 103 70.775 38.362 4.594 1.00 0.00 H new ATOM 0 HD3 ARG A 103 71.765 37.171 5.416 1.00 0.00 H new ATOM 0 HE ARG A 103 72.119 36.024 3.374 1.00 0.00 H new ATOM 0 HH11 ARG A 103 69.852 38.710 3.039 1.00 0.00 H new ATOM 0 HH12 ARG A 103 69.931 38.708 1.274 1.00 0.00 H new ATOM 0 HH21 ARG A 103 72.216 36.029 1.107 1.00 0.00 H new ATOM 0 HH22 ARG A 103 71.264 37.197 0.185 1.00 0.00 H new ATOM 1682 N VAL A 104 67.895 34.193 5.429 1.00 0.00 N ATOM 1683 CA VAL A 104 67.965 32.746 5.267 1.00 0.00 C ATOM 1684 C VAL A 104 66.607 32.099 5.512 1.00 0.00 C ATOM 1685 O VAL A 104 66.214 31.169 4.807 1.00 0.00 O ATOM 1686 CB VAL A 104 68.999 32.124 6.225 1.00 0.00 C ATOM 1687 CG1 VAL A 104 70.370 32.746 6.008 1.00 0.00 C ATOM 1688 CG2 VAL A 104 68.552 32.288 7.669 1.00 0.00 C ATOM 0 H VAL A 104 68.439 34.557 6.211 1.00 0.00 H new ATOM 0 HA VAL A 104 68.273 32.557 4.239 1.00 0.00 H new ATOM 0 HB VAL A 104 69.073 31.058 6.010 1.00 0.00 H new ATOM 0 HG11 VAL A 104 71.087 32.294 6.693 1.00 0.00 H new ATOM 0 HG12 VAL A 104 70.690 32.572 4.981 1.00 0.00 H new ATOM 0 HG13 VAL A 104 70.316 33.819 6.194 1.00 0.00 H new ATOM 0 HG21 VAL A 104 69.294 31.843 8.332 1.00 0.00 H new ATOM 0 HG22 VAL A 104 68.448 33.348 7.900 1.00 0.00 H new ATOM 0 HG23 VAL A 104 67.593 31.790 7.812 1.00 0.00 H new ATOM 1698 N LEU A 105 65.893 32.596 6.516 1.00 0.00 N ATOM 1699 CA LEU A 105 64.577 32.067 6.855 1.00 0.00 C ATOM 1700 C LEU A 105 63.549 32.441 5.792 1.00 0.00 C ATOM 1701 O LEU A 105 62.837 31.582 5.274 1.00 0.00 O ATOM 1702 CB LEU A 105 64.130 32.594 8.220 1.00 0.00 C ATOM 1703 CG LEU A 105 64.753 31.912 9.439 1.00 0.00 C ATOM 1704 CD1 LEU A 105 64.383 32.656 10.713 1.00 0.00 C ATOM 1705 CD2 LEU A 105 64.312 30.458 9.521 1.00 0.00 C ATOM 0 H LEU A 105 66.204 33.365 7.110 1.00 0.00 H new ATOM 0 HA LEU A 105 64.650 30.980 6.897 1.00 0.00 H new ATOM 0 HB2 LEU A 105 64.358 33.659 8.268 1.00 0.00 H new ATOM 0 HB3 LEU A 105 63.047 32.496 8.288 1.00 0.00 H new ATOM 0 HG LEU A 105 65.837 31.936 9.330 1.00 0.00 H new ATOM 0 HD11 LEU A 105 64.835 32.157 11.570 1.00 0.00 H new ATOM 0 HD12 LEU A 105 64.749 33.681 10.655 1.00 0.00 H new ATOM 0 HD13 LEU A 105 63.299 32.664 10.828 1.00 0.00 H new ATOM 0 HD21 LEU A 105 64.765 29.989 10.394 1.00 0.00 H new ATOM 0 HD22 LEU A 105 63.226 30.411 9.606 1.00 0.00 H new ATOM 0 HD23 LEU A 105 64.628 29.931 8.621 1.00 0.00 H new ATOM 1717 N ALA A 106 63.479 33.729 5.471 1.00 0.00 N ATOM 1718 CA ALA A 106 62.542 34.216 4.466 1.00 0.00 C ATOM 1719 C ALA A 106 62.708 33.464 3.150 1.00 0.00 C ATOM 1720 O ALA A 106 61.727 33.143 2.480 1.00 0.00 O ATOM 1721 CB ALA A 106 62.730 35.710 4.250 1.00 0.00 C ATOM 0 H ALA A 106 64.060 34.454 5.892 1.00 0.00 H new ATOM 0 HA ALA A 106 61.531 34.037 4.831 1.00 0.00 H new ATOM 0 HB1 ALA A 106 62.024 36.060 3.497 1.00 0.00 H new ATOM 0 HB2 ALA A 106 62.553 36.238 5.187 1.00 0.00 H new ATOM 0 HB3 ALA A 106 63.748 35.903 3.911 1.00 0.00 H new ATOM 1727 N ALA A 107 63.956 33.185 2.786 1.00 0.00 N ATOM 1728 CA ALA A 107 64.250 32.470 1.551 1.00 0.00 C ATOM 1729 C ALA A 107 63.798 31.016 1.638 1.00 0.00 C ATOM 1730 O ALA A 107 63.195 30.487 0.704 1.00 0.00 O ATOM 1731 CB ALA A 107 65.737 32.544 1.239 1.00 0.00 C ATOM 0 H ALA A 107 64.779 33.444 3.330 1.00 0.00 H new ATOM 0 HA ALA A 107 63.696 32.948 0.743 1.00 0.00 H new ATOM 0 HB1 ALA A 107 65.942 32.006 0.314 1.00 0.00 H new ATOM 0 HB2 ALA A 107 66.033 33.587 1.125 1.00 0.00 H new ATOM 0 HB3 ALA A 107 66.303 32.093 2.054 1.00 0.00 H new ATOM 1737 N GLN A 108 64.093 30.376 2.765 1.00 0.00 N ATOM 1738 CA GLN A 108 63.718 28.982 2.972 1.00 0.00 C ATOM 1739 C GLN A 108 62.224 28.780 2.740 1.00 0.00 C ATOM 1740 O GLN A 108 61.816 27.880 2.006 1.00 0.00 O ATOM 1741 CB GLN A 108 64.091 28.536 4.387 1.00 0.00 C ATOM 1742 CG GLN A 108 64.354 27.044 4.505 1.00 0.00 C ATOM 1743 CD GLN A 108 63.269 26.206 3.856 1.00 0.00 C ATOM 1744 OE1 GLN A 108 62.127 26.188 4.315 1.00 0.00 O ATOM 1745 NE2 GLN A 108 63.622 25.508 2.784 1.00 0.00 N ATOM 0 H GLN A 108 64.590 30.800 3.548 1.00 0.00 H new ATOM 0 HA GLN A 108 64.265 28.374 2.251 1.00 0.00 H new ATOM 0 HB2 GLN A 108 64.980 29.080 4.708 1.00 0.00 H new ATOM 0 HB3 GLN A 108 63.286 28.810 5.069 1.00 0.00 H new ATOM 0 HG2 GLN A 108 65.313 26.811 4.043 1.00 0.00 H new ATOM 0 HG3 GLN A 108 64.434 26.775 5.558 1.00 0.00 H new ATOM 0 HE21 GLN A 108 64.581 25.553 2.439 1.00 0.00 H new ATOM 0 HE22 GLN A 108 62.935 24.926 2.305 1.00 0.00 H new ATOM 1754 N ALA A 109 61.413 29.624 3.370 1.00 0.00 N ATOM 1755 CA ALA A 109 59.964 29.539 3.231 1.00 0.00 C ATOM 1756 C ALA A 109 59.518 29.998 1.847 1.00 0.00 C ATOM 1757 O ALA A 109 58.528 29.504 1.308 1.00 0.00 O ATOM 1758 CB ALA A 109 59.281 30.366 4.309 1.00 0.00 C ATOM 0 H ALA A 109 61.735 30.374 3.982 1.00 0.00 H new ATOM 0 HA ALA A 109 59.673 28.495 3.351 1.00 0.00 H new ATOM 0 HB1 ALA A 109 58.200 30.293 4.193 1.00 0.00 H new ATOM 0 HB2 ALA A 109 59.567 29.990 5.292 1.00 0.00 H new ATOM 0 HB3 ALA A 109 59.587 31.408 4.216 1.00 0.00 H new ATOM 1764 N TYR A 110 60.254 30.946 1.278 1.00 0.00 N ATOM 1765 CA TYR A 110 59.932 31.474 -0.043 1.00 0.00 C ATOM 1766 C TYR A 110 60.011 30.379 -1.102 1.00 0.00 C ATOM 1767 O TYR A 110 59.165 30.300 -1.993 1.00 0.00 O ATOM 1768 CB TYR A 110 60.882 32.618 -0.403 1.00 0.00 C ATOM 1769 CG TYR A 110 60.260 33.989 -0.263 1.00 0.00 C ATOM 1770 CD1 TYR A 110 59.470 34.306 0.835 1.00 0.00 C ATOM 1771 CD2 TYR A 110 60.462 34.967 -1.229 1.00 0.00 C ATOM 1772 CE1 TYR A 110 58.899 35.557 0.967 1.00 0.00 C ATOM 1773 CE2 TYR A 110 59.896 36.221 -1.104 1.00 0.00 C ATOM 1774 CZ TYR A 110 59.115 36.511 -0.005 1.00 0.00 C ATOM 1775 OH TYR A 110 58.549 37.759 0.122 1.00 0.00 O ATOM 0 H TYR A 110 61.077 31.365 1.710 1.00 0.00 H new ATOM 0 HA TYR A 110 58.911 31.854 -0.016 1.00 0.00 H new ATOM 0 HB2 TYR A 110 61.764 32.561 0.235 1.00 0.00 H new ATOM 0 HB3 TYR A 110 61.223 32.486 -1.430 1.00 0.00 H new ATOM 0 HD1 TYR A 110 59.299 33.562 1.599 1.00 0.00 H new ATOM 0 HD2 TYR A 110 61.072 34.743 -2.092 1.00 0.00 H new ATOM 0 HE1 TYR A 110 58.287 35.787 1.827 1.00 0.00 H new ATOM 0 HE2 TYR A 110 60.064 36.970 -1.863 1.00 0.00 H new ATOM 0 HH TYR A 110 58.800 38.312 -0.647 1.00 0.00 H new ATOM 1785 N TRP A 111 61.031 29.536 -0.996 1.00 0.00 N ATOM 1786 CA TRP A 111 61.222 28.444 -1.944 1.00 0.00 C ATOM 1787 C TRP A 111 60.303 27.272 -1.616 1.00 0.00 C ATOM 1788 O TRP A 111 60.051 26.414 -2.461 1.00 0.00 O ATOM 1789 CB TRP A 111 62.680 27.983 -1.936 1.00 0.00 C ATOM 1790 CG TRP A 111 63.559 28.778 -2.854 1.00 0.00 C ATOM 1791 CD1 TRP A 111 64.714 29.427 -2.523 1.00 0.00 C ATOM 1792 CD2 TRP A 111 63.354 29.007 -4.252 1.00 0.00 C ATOM 1793 NE1 TRP A 111 65.239 30.048 -3.631 1.00 0.00 N ATOM 1794 CE2 TRP A 111 64.423 29.804 -4.705 1.00 0.00 C ATOM 1795 CE3 TRP A 111 62.371 28.616 -5.165 1.00 0.00 C ATOM 1796 CZ2 TRP A 111 64.535 30.216 -6.030 1.00 0.00 C ATOM 1797 CZ3 TRP A 111 62.484 29.026 -6.480 1.00 0.00 C ATOM 1798 CH2 TRP A 111 63.559 29.819 -6.903 1.00 0.00 C ATOM 0 H TRP A 111 61.739 29.587 -0.263 1.00 0.00 H new ATOM 0 HA TRP A 111 60.971 28.811 -2.939 1.00 0.00 H new ATOM 0 HB2 TRP A 111 63.070 28.052 -0.921 1.00 0.00 H new ATOM 0 HB3 TRP A 111 62.723 26.932 -2.223 1.00 0.00 H new ATOM 0 HD1 TRP A 111 65.151 29.449 -1.536 1.00 0.00 H new ATOM 0 HE1 TRP A 111 66.096 30.600 -3.651 1.00 0.00 H new ATOM 0 HE3 TRP A 111 61.539 28.005 -4.849 1.00 0.00 H new ATOM 0 HZ2 TRP A 111 65.363 30.827 -6.357 1.00 0.00 H new ATOM 0 HZ3 TRP A 111 61.730 28.730 -7.194 1.00 0.00 H new ATOM 0 HH2 TRP A 111 63.618 30.123 -7.938 1.00 0.00 H new ATOM 1809 N SER A 112 59.805 27.243 -0.384 1.00 0.00 N ATOM 1810 CA SER A 112 58.917 26.174 0.057 1.00 0.00 C ATOM 1811 C SER A 112 57.464 26.504 -0.273 1.00 0.00 C ATOM 1812 O SER A 112 56.591 26.447 0.592 1.00 0.00 O ATOM 1813 CB SER A 112 59.070 25.942 1.561 1.00 0.00 C ATOM 1814 OG SER A 112 58.887 24.576 1.888 1.00 0.00 O ATOM 0 H SER A 112 60.002 27.948 0.327 1.00 0.00 H new ATOM 0 HA SER A 112 59.194 25.263 -0.474 1.00 0.00 H new ATOM 0 HB2 SER A 112 60.059 26.267 1.883 1.00 0.00 H new ATOM 0 HB3 SER A 112 58.344 26.549 2.101 1.00 0.00 H new ATOM 0 HG SER A 112 58.991 24.454 2.855 1.00 0.00 H new