USER MOD reduce.3.24.130724 H: found=0, std=0, add=616, rem=0, adj=11 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 141:sc= 0.66 USER MOD Single : A 48 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 51 THR OG1 : rot -61:sc= 0.543 USER MOD Single : A 58 LYS NZ :NH3+ 144:sc= -0.388 (180deg=-0.846) USER MOD Single : A 69 THR OG1 : rot -26:sc= 0.525 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+ -168:sc= 1.1 (180deg=0.958) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 THR OG1 : rot 68:sc= 1.2 USER MOD Single : A 82 HIS : no HD1:sc= -0.0439 X(o=-0.044,f=0) USER MOD Single : A 83 THR OG1 : rot 71:sc= 0.351 USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 89 GLN : amide:sc= 0 K(o=0,f=-0.71) USER MOD Single : A 90 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 98 GLN : amide:sc= -0.0668 X(o=-0.067,f=-0.49) USER MOD Single : A 108 GLN : amide:sc= -0.286 X(o=-0.29,f=-0.7) 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 80.806 30.341 11.523 1.00 0.00 N ATOM 527 CA PHE A 34 80.822 30.941 10.194 1.00 0.00 C ATOM 528 C PHE A 34 80.950 32.459 10.285 1.00 0.00 C ATOM 529 O PHE A 34 80.715 33.052 11.338 1.00 0.00 O ATOM 530 CB PHE A 34 79.549 30.571 9.429 1.00 0.00 C ATOM 531 CG PHE A 34 79.278 29.094 9.395 1.00 0.00 C ATOM 532 CD1 PHE A 34 80.302 28.194 9.145 1.00 0.00 C ATOM 533 CD2 PHE A 34 78.001 28.605 9.615 1.00 0.00 C ATOM 534 CE1 PHE A 34 80.055 26.835 9.113 1.00 0.00 C ATOM 535 CE2 PHE A 34 77.748 27.247 9.584 1.00 0.00 C ATOM 536 CZ PHE A 34 78.777 26.360 9.334 1.00 0.00 C ATOM 0 HA PHE A 34 81.687 30.552 9.657 1.00 0.00 H new ATOM 0 HB2 PHE A 34 78.699 31.078 9.887 1.00 0.00 H new ATOM 0 HB3 PHE A 34 79.628 30.941 8.407 1.00 0.00 H new ATOM 0 HD1 PHE A 34 81.304 28.559 8.973 1.00 0.00 H new ATOM 0 HD2 PHE A 34 77.193 29.294 9.813 1.00 0.00 H new ATOM 0 HE1 PHE A 34 80.861 26.144 8.915 1.00 0.00 H new ATOM 0 HE2 PHE A 34 76.747 26.879 9.755 1.00 0.00 H new ATOM 0 HZ PHE A 34 78.583 25.298 9.311 1.00 0.00 H new ATOM 546 N THR A 35 81.327 33.083 9.172 1.00 0.00 N ATOM 547 CA THR A 35 81.489 34.530 9.125 1.00 0.00 C ATOM 548 C THR A 35 80.323 35.191 8.398 1.00 0.00 C ATOM 549 O THR A 35 79.710 34.592 7.514 1.00 0.00 O ATOM 550 CB THR A 35 82.804 34.926 8.428 1.00 0.00 C ATOM 551 OG1 THR A 35 83.806 33.932 8.671 1.00 0.00 O ATOM 552 CG2 THR A 35 83.294 36.278 8.923 1.00 0.00 C ATOM 0 H THR A 35 81.526 32.608 8.292 1.00 0.00 H new ATOM 0 HA THR A 35 81.514 34.878 10.158 1.00 0.00 H new ATOM 0 HB THR A 35 82.614 34.996 7.357 1.00 0.00 H new ATOM 0 HG1 THR A 35 84.333 33.793 7.856 1.00 0.00 H new ATOM 0 HG21 THR A 35 84.224 36.536 8.416 1.00 0.00 H new ATOM 0 HG22 THR A 35 82.542 37.038 8.710 1.00 0.00 H new ATOM 0 HG23 THR A 35 83.468 36.231 9.998 1.00 0.00 H new ATOM 560 N VAL A 36 80.022 36.429 8.775 1.00 0.00 N ATOM 561 CA VAL A 36 78.930 37.172 8.158 1.00 0.00 C ATOM 562 C VAL A 36 79.094 37.233 6.643 1.00 0.00 C ATOM 563 O VAL A 36 78.118 37.146 5.899 1.00 0.00 O ATOM 564 CB VAL A 36 78.843 38.607 8.712 1.00 0.00 C ATOM 565 CG1 VAL A 36 80.170 39.328 8.536 1.00 0.00 C ATOM 566 CG2 VAL A 36 77.717 39.372 8.034 1.00 0.00 C ATOM 0 H VAL A 36 80.519 36.939 9.505 1.00 0.00 H new ATOM 0 HA VAL A 36 78.010 36.641 8.400 1.00 0.00 H new ATOM 0 HB VAL A 36 78.624 38.554 9.779 1.00 0.00 H new ATOM 0 HG11 VAL A 36 80.090 40.340 8.933 1.00 0.00 H new ATOM 0 HG12 VAL A 36 80.951 38.789 9.072 1.00 0.00 H new ATOM 0 HG13 VAL A 36 80.422 39.373 7.476 1.00 0.00 H new ATOM 0 HG21 VAL A 36 77.670 40.384 8.437 1.00 0.00 H new ATOM 0 HG22 VAL A 36 77.903 39.418 6.961 1.00 0.00 H new ATOM 0 HG23 VAL A 36 76.770 38.864 8.217 1.00 0.00 H new ATOM 576 N ALA A 37 80.336 37.384 6.194 1.00 0.00 N ATOM 577 CA ALA A 37 80.629 37.454 4.768 1.00 0.00 C ATOM 578 C ALA A 37 80.477 36.087 4.108 1.00 0.00 C ATOM 579 O ALA A 37 79.826 35.957 3.073 1.00 0.00 O ATOM 580 CB ALA A 37 82.032 37.997 4.544 1.00 0.00 C ATOM 0 H ALA A 37 81.155 37.460 6.797 1.00 0.00 H new ATOM 0 HA ALA A 37 79.911 38.132 4.308 1.00 0.00 H new ATOM 0 HB1 ALA A 37 82.238 38.044 3.475 1.00 0.00 H new ATOM 0 HB2 ALA A 37 82.108 38.996 4.972 1.00 0.00 H new ATOM 0 HB3 ALA A 37 82.757 37.340 5.024 1.00 0.00 H new ATOM 586 N GLU A 38 81.084 35.072 4.715 1.00 0.00 N ATOM 587 CA GLU A 38 81.017 33.715 4.184 1.00 0.00 C ATOM 588 C GLU A 38 79.570 33.239 4.091 1.00 0.00 C ATOM 589 O GLU A 38 79.137 32.732 3.056 1.00 0.00 O ATOM 590 CB GLU A 38 81.824 32.759 5.064 1.00 0.00 C ATOM 591 CG GLU A 38 83.292 32.673 4.681 1.00 0.00 C ATOM 592 CD GLU A 38 84.026 33.984 4.885 1.00 0.00 C ATOM 593 OE1 GLU A 38 83.993 34.830 3.968 1.00 0.00 O ATOM 594 OE2 GLU A 38 84.634 34.163 5.961 1.00 0.00 O ATOM 0 H GLU A 38 81.627 35.163 5.574 1.00 0.00 H new ATOM 0 HA GLU A 38 81.445 33.723 3.181 1.00 0.00 H new ATOM 0 HB2 GLU A 38 81.746 33.081 6.102 1.00 0.00 H new ATOM 0 HB3 GLU A 38 81.383 31.764 5.005 1.00 0.00 H new ATOM 0 HG2 GLU A 38 83.773 31.895 5.274 1.00 0.00 H new ATOM 0 HG3 GLU A 38 83.374 32.374 3.636 1.00 0.00 H new ATOM 601 N VAL A 39 78.827 33.405 5.180 1.00 0.00 N ATOM 602 CA VAL A 39 77.429 32.993 5.223 1.00 0.00 C ATOM 603 C VAL A 39 76.592 33.786 4.225 1.00 0.00 C ATOM 604 O VAL A 39 75.741 33.228 3.533 1.00 0.00 O ATOM 605 CB VAL A 39 76.833 33.171 6.632 1.00 0.00 C ATOM 606 CG1 VAL A 39 75.363 32.783 6.643 1.00 0.00 C ATOM 607 CG2 VAL A 39 77.617 32.354 7.648 1.00 0.00 C ATOM 0 H VAL A 39 79.170 33.822 6.045 1.00 0.00 H new ATOM 0 HA VAL A 39 77.403 31.936 4.957 1.00 0.00 H new ATOM 0 HB VAL A 39 76.908 34.222 6.910 1.00 0.00 H new ATOM 0 HG11 VAL A 39 74.959 32.915 7.647 1.00 0.00 H new ATOM 0 HG12 VAL A 39 74.815 33.415 5.945 1.00 0.00 H new ATOM 0 HG13 VAL A 39 75.260 31.740 6.345 1.00 0.00 H new ATOM 0 HG21 VAL A 39 77.183 32.491 8.638 1.00 0.00 H new ATOM 0 HG22 VAL A 39 77.576 31.299 7.377 1.00 0.00 H new ATOM 0 HG23 VAL A 39 78.655 32.686 7.658 1.00 0.00 H new ATOM 617 N GLU A 40 76.841 35.090 4.157 1.00 0.00 N ATOM 618 CA GLU A 40 76.109 35.960 3.244 1.00 0.00 C ATOM 619 C GLU A 40 76.249 35.477 1.803 1.00 0.00 C ATOM 620 O GLU A 40 75.255 35.294 1.098 1.00 0.00 O ATOM 621 CB GLU A 40 76.613 37.400 3.362 1.00 0.00 C ATOM 622 CG GLU A 40 75.872 38.220 4.404 1.00 0.00 C ATOM 623 CD GLU A 40 76.568 39.531 4.716 1.00 0.00 C ATOM 624 OE1 GLU A 40 77.786 39.631 4.462 1.00 0.00 O ATOM 625 OE2 GLU A 40 75.894 40.457 5.216 1.00 0.00 O ATOM 0 H GLU A 40 77.543 35.567 4.723 1.00 0.00 H new ATOM 0 HA GLU A 40 75.055 35.928 3.519 1.00 0.00 H new ATOM 0 HB2 GLU A 40 77.674 37.385 3.611 1.00 0.00 H new ATOM 0 HB3 GLU A 40 76.519 37.890 2.393 1.00 0.00 H new ATOM 0 HG2 GLU A 40 74.862 38.424 4.049 1.00 0.00 H new ATOM 0 HG3 GLU A 40 75.776 37.637 5.320 1.00 0.00 H new ATOM 632 N LEU A 41 77.489 35.273 1.371 1.00 0.00 N ATOM 633 CA LEU A 41 77.760 34.811 0.014 1.00 0.00 C ATOM 634 C LEU A 41 77.099 33.461 -0.244 1.00 0.00 C ATOM 635 O LEU A 41 76.437 33.268 -1.265 1.00 0.00 O ATOM 636 CB LEU A 41 79.268 34.706 -0.217 1.00 0.00 C ATOM 637 CG LEU A 41 80.042 36.025 -0.210 1.00 0.00 C ATOM 638 CD1 LEU A 41 81.482 35.797 0.224 1.00 0.00 C ATOM 639 CD2 LEU A 41 79.995 36.678 -1.584 1.00 0.00 C ATOM 0 H LEU A 41 78.322 35.420 1.941 1.00 0.00 H new ATOM 0 HA LEU A 41 77.341 35.538 -0.682 1.00 0.00 H new ATOM 0 HB2 LEU A 41 79.689 34.057 0.551 1.00 0.00 H new ATOM 0 HB3 LEU A 41 79.435 34.215 -1.176 1.00 0.00 H new ATOM 0 HG LEU A 41 79.570 36.697 0.507 1.00 0.00 H new ATOM 0 HD11 LEU A 41 82.017 36.747 0.223 1.00 0.00 H new ATOM 0 HD12 LEU A 41 81.497 35.373 1.228 1.00 0.00 H new ATOM 0 HD13 LEU A 41 81.966 35.107 -0.468 1.00 0.00 H new ATOM 0 HD21 LEU A 41 80.551 37.615 -1.561 1.00 0.00 H new ATOM 0 HD22 LEU A 41 80.442 36.010 -2.320 1.00 0.00 H new ATOM 0 HD23 LEU A 41 78.959 36.877 -1.857 1.00 0.00 H new ATOM 651 N LEU A 42 77.281 32.531 0.687 1.00 0.00 N ATOM 652 CA LEU A 42 76.700 31.199 0.561 1.00 0.00 C ATOM 653 C LEU A 42 75.181 31.276 0.441 1.00 0.00 C ATOM 654 O LEU A 42 74.600 30.793 -0.531 1.00 0.00 O ATOM 655 CB LEU A 42 77.084 30.338 1.766 1.00 0.00 C ATOM 656 CG LEU A 42 76.361 28.996 1.890 1.00 0.00 C ATOM 657 CD1 LEU A 42 75.039 29.168 2.621 1.00 0.00 C ATOM 658 CD2 LEU A 42 76.137 28.382 0.515 1.00 0.00 C ATOM 0 H LEU A 42 77.826 32.675 1.537 1.00 0.00 H new ATOM 0 HA LEU A 42 77.095 30.742 -0.346 1.00 0.00 H new ATOM 0 HB2 LEU A 42 78.156 30.148 1.724 1.00 0.00 H new ATOM 0 HB3 LEU A 42 76.898 30.914 2.673 1.00 0.00 H new ATOM 0 HG LEU A 42 76.988 28.319 2.470 1.00 0.00 H new ATOM 0 HD11 LEU A 42 74.539 28.203 2.700 1.00 0.00 H new ATOM 0 HD12 LEU A 42 75.224 29.563 3.620 1.00 0.00 H new ATOM 0 HD13 LEU A 42 74.405 29.861 2.068 1.00 0.00 H new ATOM 0 HD21 LEU A 42 75.621 27.428 0.622 1.00 0.00 H new ATOM 0 HD22 LEU A 42 75.531 29.056 -0.090 1.00 0.00 H new ATOM 0 HD23 LEU A 42 77.098 28.222 0.027 1.00 0.00 H new ATOM 670 N VAL A 43 74.544 31.889 1.434 1.00 0.00 N ATOM 671 CA VAL A 43 73.093 32.033 1.438 1.00 0.00 C ATOM 672 C VAL A 43 72.600 32.660 0.139 1.00 0.00 C ATOM 673 O VAL A 43 71.576 32.252 -0.409 1.00 0.00 O ATOM 674 CB VAL A 43 72.618 32.893 2.624 1.00 0.00 C ATOM 675 CG1 VAL A 43 71.111 33.090 2.570 1.00 0.00 C ATOM 676 CG2 VAL A 43 73.035 32.260 3.942 1.00 0.00 C ATOM 0 H VAL A 43 75.010 32.294 2.246 1.00 0.00 H new ATOM 0 HA VAL A 43 72.675 31.031 1.536 1.00 0.00 H new ATOM 0 HB VAL A 43 73.091 33.872 2.553 1.00 0.00 H new ATOM 0 HG11 VAL A 43 70.793 33.700 3.416 1.00 0.00 H new ATOM 0 HG12 VAL A 43 70.843 33.591 1.640 1.00 0.00 H new ATOM 0 HG13 VAL A 43 70.615 32.120 2.616 1.00 0.00 H new ATOM 0 HG21 VAL A 43 72.691 32.881 4.769 1.00 0.00 H new ATOM 0 HG22 VAL A 43 72.592 31.267 4.025 1.00 0.00 H new ATOM 0 HG23 VAL A 43 74.121 32.177 3.978 1.00 0.00 H new ATOM 686 N GLU A 44 73.335 33.655 -0.349 1.00 0.00 N ATOM 687 CA GLU A 44 72.971 34.338 -1.584 1.00 0.00 C ATOM 688 C GLU A 44 73.229 33.447 -2.796 1.00 0.00 C ATOM 689 O GLU A 44 72.562 33.570 -3.823 1.00 0.00 O ATOM 690 CB GLU A 44 73.757 35.644 -1.721 1.00 0.00 C ATOM 691 CG GLU A 44 73.561 36.334 -3.061 1.00 0.00 C ATOM 692 CD GLU A 44 74.300 37.656 -3.149 1.00 0.00 C ATOM 693 OE1 GLU A 44 74.599 38.240 -2.086 1.00 0.00 O ATOM 694 OE2 GLU A 44 74.578 38.106 -4.280 1.00 0.00 O ATOM 0 H GLU A 44 74.185 34.005 0.092 1.00 0.00 H new ATOM 0 HA GLU A 44 71.906 34.565 -1.543 1.00 0.00 H new ATOM 0 HB2 GLU A 44 73.457 36.324 -0.924 1.00 0.00 H new ATOM 0 HB3 GLU A 44 74.818 35.436 -1.580 1.00 0.00 H new ATOM 0 HG2 GLU A 44 73.905 35.676 -3.859 1.00 0.00 H new ATOM 0 HG3 GLU A 44 72.497 36.505 -3.226 1.00 0.00 H new ATOM 701 N ALA A 45 74.201 32.550 -2.667 1.00 0.00 N ATOM 702 CA ALA A 45 74.546 31.637 -3.749 1.00 0.00 C ATOM 703 C ALA A 45 73.503 30.534 -3.891 1.00 0.00 C ATOM 704 O ALA A 45 73.009 30.270 -4.987 1.00 0.00 O ATOM 705 CB ALA A 45 75.924 31.036 -3.514 1.00 0.00 C ATOM 0 H ALA A 45 74.763 32.436 -1.824 1.00 0.00 H new ATOM 0 HA ALA A 45 74.564 32.206 -4.679 1.00 0.00 H new ATOM 0 HB1 ALA A 45 76.168 30.356 -4.330 1.00 0.00 H new ATOM 0 HB2 ALA A 45 76.666 31.833 -3.471 1.00 0.00 H new ATOM 0 HB3 ALA A 45 75.926 30.488 -2.572 1.00 0.00 H new ATOM 711 N VAL A 46 73.172 29.892 -2.775 1.00 0.00 N ATOM 712 CA VAL A 46 72.186 28.817 -2.775 1.00 0.00 C ATOM 713 C VAL A 46 70.780 29.361 -3.001 1.00 0.00 C ATOM 714 O VAL A 46 69.929 28.687 -3.581 1.00 0.00 O ATOM 715 CB VAL A 46 72.214 28.031 -1.452 1.00 0.00 C ATOM 716 CG1 VAL A 46 72.221 28.982 -0.265 1.00 0.00 C ATOM 717 CG2 VAL A 46 71.031 27.077 -1.374 1.00 0.00 C ATOM 0 H VAL A 46 73.572 30.097 -1.859 1.00 0.00 H new ATOM 0 HA VAL A 46 72.448 28.146 -3.593 1.00 0.00 H new ATOM 0 HB VAL A 46 73.130 27.441 -1.420 1.00 0.00 H new ATOM 0 HG11 VAL A 46 72.241 28.408 0.661 1.00 0.00 H new ATOM 0 HG12 VAL A 46 73.103 29.620 -0.315 1.00 0.00 H new ATOM 0 HG13 VAL A 46 71.324 29.601 -0.289 1.00 0.00 H new ATOM 0 HG21 VAL A 46 71.067 26.529 -0.432 1.00 0.00 H new ATOM 0 HG22 VAL A 46 70.102 27.644 -1.429 1.00 0.00 H new ATOM 0 HG23 VAL A 46 71.076 26.373 -2.205 1.00 0.00 H new ATOM 727 N GLU A 47 70.544 30.585 -2.540 1.00 0.00 N ATOM 728 CA GLU A 47 69.240 31.220 -2.692 1.00 0.00 C ATOM 729 C GLU A 47 69.002 31.634 -4.142 1.00 0.00 C ATOM 730 O GLU A 47 67.930 31.396 -4.699 1.00 0.00 O ATOM 731 CB GLU A 47 69.132 32.441 -1.777 1.00 0.00 C ATOM 732 CG GLU A 47 67.888 33.278 -2.023 1.00 0.00 C ATOM 733 CD GLU A 47 67.845 34.526 -1.163 1.00 0.00 C ATOM 734 OE1 GLU A 47 68.868 34.840 -0.520 1.00 0.00 O ATOM 735 OE2 GLU A 47 66.786 35.188 -1.132 1.00 0.00 O ATOM 0 H GLU A 47 71.238 31.157 -2.058 1.00 0.00 H new ATOM 0 HA GLU A 47 68.477 30.495 -2.409 1.00 0.00 H new ATOM 0 HB2 GLU A 47 69.136 32.108 -0.739 1.00 0.00 H new ATOM 0 HB3 GLU A 47 70.014 33.067 -1.915 1.00 0.00 H new ATOM 0 HG2 GLU A 47 67.849 33.564 -3.074 1.00 0.00 H new ATOM 0 HG3 GLU A 47 67.003 32.674 -1.824 1.00 0.00 H new ATOM 742 N HIS A 48 70.009 32.256 -4.746 1.00 0.00 N ATOM 743 CA HIS A 48 69.911 32.704 -6.131 1.00 0.00 C ATOM 744 C HIS A 48 69.418 31.576 -7.033 1.00 0.00 C ATOM 745 O HIS A 48 68.768 31.820 -8.050 1.00 0.00 O ATOM 746 CB HIS A 48 71.267 33.210 -6.623 1.00 0.00 C ATOM 747 CG HIS A 48 71.204 33.895 -7.954 1.00 0.00 C ATOM 748 ND1 HIS A 48 70.585 35.112 -8.145 1.00 0.00 N ATOM 749 CD2 HIS A 48 71.688 33.526 -9.163 1.00 0.00 C ATOM 750 CE1 HIS A 48 70.690 35.462 -9.415 1.00 0.00 C ATOM 751 NE2 HIS A 48 71.356 34.517 -10.054 1.00 0.00 N ATOM 0 H HIS A 48 70.902 32.461 -4.299 1.00 0.00 H new ATOM 0 HA HIS A 48 69.190 33.521 -6.173 1.00 0.00 H new ATOM 0 HB2 HIS A 48 71.676 33.902 -5.887 1.00 0.00 H new ATOM 0 HB3 HIS A 48 71.957 32.369 -6.689 1.00 0.00 H new ATOM 0 HD2 HIS A 48 72.234 32.621 -9.386 1.00 0.00 H new ATOM 0 HE1 HIS A 48 70.298 36.367 -9.856 1.00 0.00 H new ATOM 0 HE2 HIS A 48 71.586 34.522 -11.048 1.00 0.00 H new ATOM 759 N LEU A 49 69.731 30.342 -6.654 1.00 0.00 N ATOM 760 CA LEU A 49 69.321 29.177 -7.429 1.00 0.00 C ATOM 761 C LEU A 49 68.197 28.423 -6.725 1.00 0.00 C ATOM 762 O LEU A 49 67.538 27.572 -7.321 1.00 0.00 O ATOM 763 CB LEU A 49 70.512 28.244 -7.654 1.00 0.00 C ATOM 764 CG LEU A 49 71.802 28.908 -8.139 1.00 0.00 C ATOM 765 CD1 LEU A 49 73.016 28.129 -7.658 1.00 0.00 C ATOM 766 CD2 LEU A 49 71.805 29.022 -9.656 1.00 0.00 C ATOM 0 H LEU A 49 70.267 30.123 -5.815 1.00 0.00 H new ATOM 0 HA LEU A 49 68.952 29.525 -8.394 1.00 0.00 H new ATOM 0 HB2 LEU A 49 70.723 27.725 -6.719 1.00 0.00 H new ATOM 0 HB3 LEU A 49 70.222 27.486 -8.381 1.00 0.00 H new ATOM 0 HG LEU A 49 71.851 29.913 -7.720 1.00 0.00 H new ATOM 0 HD11 LEU A 49 73.925 28.616 -8.012 1.00 0.00 H new ATOM 0 HD12 LEU A 49 73.021 28.100 -6.568 1.00 0.00 H new ATOM 0 HD13 LEU A 49 72.974 27.112 -8.048 1.00 0.00 H new ATOM 0 HD21 LEU A 49 72.730 29.497 -9.983 1.00 0.00 H new ATOM 0 HD22 LEU A 49 71.732 28.027 -10.096 1.00 0.00 H new ATOM 0 HD23 LEU A 49 70.955 29.624 -9.977 1.00 0.00 H new ATOM 778 N GLY A 50 67.982 28.743 -5.453 1.00 0.00 N ATOM 779 CA GLY A 50 66.936 28.089 -4.689 1.00 0.00 C ATOM 780 C GLY A 50 67.217 26.617 -4.463 1.00 0.00 C ATOM 781 O GLY A 50 68.122 26.258 -3.710 1.00 0.00 O ATOM 0 H GLY A 50 68.514 29.444 -4.937 1.00 0.00 H new ATOM 0 HA2 GLY A 50 66.829 28.587 -3.726 1.00 0.00 H new ATOM 0 HA3 GLY A 50 65.986 28.198 -5.212 1.00 0.00 H new ATOM 785 N THR A 51 66.437 25.760 -5.116 1.00 0.00 N ATOM 786 CA THR A 51 66.605 24.319 -4.981 1.00 0.00 C ATOM 787 C THR A 51 67.045 23.690 -6.298 1.00 0.00 C ATOM 788 O THR A 51 66.256 23.036 -6.979 1.00 0.00 O ATOM 789 CB THR A 51 65.302 23.643 -4.513 1.00 0.00 C ATOM 790 OG1 THR A 51 65.423 22.220 -4.616 1.00 0.00 O ATOM 791 CG2 THR A 51 64.118 24.118 -5.342 1.00 0.00 C ATOM 0 H THR A 51 65.683 26.040 -5.743 1.00 0.00 H new ATOM 0 HA THR A 51 67.379 24.161 -4.230 1.00 0.00 H new ATOM 0 HB THR A 51 65.130 23.918 -3.472 1.00 0.00 H new ATOM 0 HG1 THR A 51 65.579 21.972 -5.551 1.00 0.00 H new ATOM 0 HG21 THR A 51 63.209 23.627 -4.993 1.00 0.00 H new ATOM 0 HG22 THR A 51 64.010 25.198 -5.237 1.00 0.00 H new ATOM 0 HG23 THR A 51 64.285 23.870 -6.390 1.00 0.00 H new ATOM 799 N GLY A 52 68.310 23.893 -6.652 1.00 0.00 N ATOM 800 CA GLY A 52 68.833 23.339 -7.887 1.00 0.00 C ATOM 801 C GLY A 52 70.104 22.541 -7.672 1.00 0.00 C ATOM 802 O GLY A 52 70.156 21.664 -6.811 1.00 0.00 O ATOM 0 H GLY A 52 68.982 24.431 -6.105 1.00 0.00 H new ATOM 0 HA2 GLY A 52 68.078 22.698 -8.343 1.00 0.00 H new ATOM 0 HA3 GLY A 52 69.030 24.148 -8.590 1.00 0.00 H new ATOM 806 N ARG A 53 71.132 22.845 -8.459 1.00 0.00 N ATOM 807 CA ARG A 53 72.408 22.148 -8.352 1.00 0.00 C ATOM 808 C ARG A 53 73.305 22.812 -7.311 1.00 0.00 C ATOM 809 O ARG A 53 73.318 24.035 -7.179 1.00 0.00 O ATOM 810 CB ARG A 53 73.114 22.123 -9.709 1.00 0.00 C ATOM 811 CG ARG A 53 73.513 20.728 -10.163 1.00 0.00 C ATOM 812 CD ARG A 53 74.644 20.775 -11.178 1.00 0.00 C ATOM 813 NE ARG A 53 74.359 19.954 -12.352 1.00 0.00 N ATOM 814 CZ ARG A 53 73.466 20.282 -13.279 1.00 0.00 C ATOM 815 NH1 ARG A 53 72.774 21.408 -13.169 1.00 0.00 N ATOM 816 NH2 ARG A 53 73.263 19.484 -14.319 1.00 0.00 N ATOM 0 H ARG A 53 71.106 23.569 -9.177 1.00 0.00 H new ATOM 0 HA ARG A 53 72.209 21.124 -8.034 1.00 0.00 H new ATOM 0 HB2 ARG A 53 72.458 22.566 -10.458 1.00 0.00 H new ATOM 0 HB3 ARG A 53 74.006 22.748 -9.657 1.00 0.00 H new ATOM 0 HG2 ARG A 53 73.821 20.138 -9.300 1.00 0.00 H new ATOM 0 HG3 ARG A 53 72.650 20.226 -10.601 1.00 0.00 H new ATOM 0 HD2 ARG A 53 74.810 21.807 -11.488 1.00 0.00 H new ATOM 0 HD3 ARG A 53 75.566 20.431 -10.710 1.00 0.00 H new ATOM 0 HE ARG A 53 74.874 19.081 -12.466 1.00 0.00 H new ATOM 0 HH11 ARG A 53 72.927 22.025 -12.371 1.00 0.00 H new ATOM 0 HH12 ARG A 53 72.089 21.657 -13.882 1.00 0.00 H new ATOM 0 HH21 ARG A 53 73.793 18.617 -14.408 1.00 0.00 H new ATOM 0 HH22 ARG A 53 72.577 19.737 -15.030 1.00 0.00 H new ATOM 830 N TRP A 54 74.051 21.996 -6.576 1.00 0.00 N ATOM 831 CA TRP A 54 74.951 22.504 -5.546 1.00 0.00 C ATOM 832 C TRP A 54 76.151 23.208 -6.170 1.00 0.00 C ATOM 833 O TRP A 54 76.525 24.304 -5.754 1.00 0.00 O ATOM 834 CB TRP A 54 75.425 21.363 -4.645 1.00 0.00 C ATOM 835 CG TRP A 54 74.335 20.399 -4.284 1.00 0.00 C ATOM 836 CD1 TRP A 54 73.150 20.695 -3.673 1.00 0.00 C ATOM 837 CD2 TRP A 54 74.332 18.986 -4.509 1.00 0.00 C ATOM 838 NE1 TRP A 54 72.410 19.549 -3.505 1.00 0.00 N ATOM 839 CE2 TRP A 54 73.112 18.487 -4.010 1.00 0.00 C ATOM 840 CE3 TRP A 54 75.239 18.092 -5.085 1.00 0.00 C ATOM 841 CZ2 TRP A 54 72.780 17.137 -4.070 1.00 0.00 C ATOM 842 CZ3 TRP A 54 74.908 16.752 -5.143 1.00 0.00 C ATOM 843 CH2 TRP A 54 73.687 16.284 -4.639 1.00 0.00 C ATOM 0 H TRP A 54 74.051 20.981 -6.673 1.00 0.00 H new ATOM 0 HA TRP A 54 74.402 23.228 -4.944 1.00 0.00 H new ATOM 0 HB2 TRP A 54 76.227 20.822 -5.147 1.00 0.00 H new ATOM 0 HB3 TRP A 54 75.847 21.782 -3.731 1.00 0.00 H new ATOM 0 HD1 TRP A 54 72.840 21.683 -3.367 1.00 0.00 H new ATOM 0 HE1 TRP A 54 71.487 19.498 -3.074 1.00 0.00 H new ATOM 0 HE3 TRP A 54 76.182 18.443 -5.478 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 71.840 16.775 -3.681 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 75.603 16.053 -5.585 1.00 0.00 H new ATOM 0 HH2 TRP A 54 73.457 15.231 -4.701 1.00 0.00 H new ATOM 854 N ARG A 55 76.750 22.571 -7.172 1.00 0.00 N ATOM 855 CA ARG A 55 77.908 23.136 -7.852 1.00 0.00 C ATOM 856 C ARG A 55 77.599 24.533 -8.383 1.00 0.00 C ATOM 857 O ARG A 55 78.496 25.361 -8.540 1.00 0.00 O ATOM 858 CB ARG A 55 78.344 22.227 -9.003 1.00 0.00 C ATOM 859 CG ARG A 55 79.464 22.811 -9.850 1.00 0.00 C ATOM 860 CD ARG A 55 80.791 22.791 -9.109 1.00 0.00 C ATOM 861 NE ARG A 55 81.684 23.857 -9.555 1.00 0.00 N ATOM 862 CZ ARG A 55 82.410 23.791 -10.666 1.00 0.00 C ATOM 863 NH1 ARG A 55 82.349 22.716 -11.439 1.00 0.00 N ATOM 864 NH2 ARG A 55 83.198 24.803 -11.005 1.00 0.00 N ATOM 0 H ARG A 55 76.452 21.664 -7.530 1.00 0.00 H new ATOM 0 HA ARG A 55 78.721 23.212 -7.129 1.00 0.00 H new ATOM 0 HB2 ARG A 55 78.669 21.270 -8.596 1.00 0.00 H new ATOM 0 HB3 ARG A 55 77.484 22.026 -9.642 1.00 0.00 H new ATOM 0 HG2 ARG A 55 79.555 22.244 -10.776 1.00 0.00 H new ATOM 0 HG3 ARG A 55 79.216 23.836 -10.127 1.00 0.00 H new ATOM 0 HD2 ARG A 55 80.610 22.894 -8.039 1.00 0.00 H new ATOM 0 HD3 ARG A 55 81.275 21.826 -9.259 1.00 0.00 H new ATOM 0 HE ARG A 55 81.754 24.698 -8.982 1.00 0.00 H new ATOM 0 HH11 ARG A 55 81.744 21.936 -11.182 1.00 0.00 H new ATOM 0 HH12 ARG A 55 82.907 22.668 -12.291 1.00 0.00 H new ATOM 0 HH21 ARG A 55 83.247 25.632 -10.413 1.00 0.00 H new ATOM 0 HH22 ARG A 55 83.755 24.752 -11.858 1.00 0.00 H new ATOM 878 N ASP A 56 76.324 24.787 -8.658 1.00 0.00 N ATOM 879 CA ASP A 56 75.896 26.084 -9.170 1.00 0.00 C ATOM 880 C ASP A 56 75.993 27.155 -8.088 1.00 0.00 C ATOM 881 O ASP A 56 76.289 28.315 -8.374 1.00 0.00 O ATOM 882 CB ASP A 56 74.462 26.000 -9.696 1.00 0.00 C ATOM 883 CG ASP A 56 74.104 27.171 -10.589 1.00 0.00 C ATOM 884 OD1 ASP A 56 74.781 28.217 -10.497 1.00 0.00 O ATOM 885 OD2 ASP A 56 73.147 27.042 -11.380 1.00 0.00 O ATOM 0 H ASP A 56 75.569 24.112 -8.535 1.00 0.00 H new ATOM 0 HA ASP A 56 76.560 26.361 -9.989 1.00 0.00 H new ATOM 0 HB2 ASP A 56 74.336 25.071 -10.252 1.00 0.00 H new ATOM 0 HB3 ASP A 56 73.771 25.964 -8.854 1.00 0.00 H new ATOM 890 N VAL A 57 75.741 26.757 -6.845 1.00 0.00 N ATOM 891 CA VAL A 57 75.800 27.683 -5.720 1.00 0.00 C ATOM 892 C VAL A 57 77.242 28.030 -5.368 1.00 0.00 C ATOM 893 O VAL A 57 77.542 29.155 -4.967 1.00 0.00 O ATOM 894 CB VAL A 57 75.106 27.098 -4.476 1.00 0.00 C ATOM 895 CG1 VAL A 57 74.017 26.117 -4.883 1.00 0.00 C ATOM 896 CG2 VAL A 57 76.123 26.430 -3.564 1.00 0.00 C ATOM 0 H VAL A 57 75.494 25.800 -6.592 1.00 0.00 H new ATOM 0 HA VAL A 57 75.277 28.588 -6.027 1.00 0.00 H new ATOM 0 HB VAL A 57 74.638 27.914 -3.925 1.00 0.00 H new ATOM 0 HG11 VAL A 57 73.538 25.714 -3.991 1.00 0.00 H new ATOM 0 HG12 VAL A 57 73.274 26.631 -5.493 1.00 0.00 H new ATOM 0 HG13 VAL A 57 74.458 25.302 -5.457 1.00 0.00 H new ATOM 0 HG21 VAL A 57 75.615 26.022 -2.690 1.00 0.00 H new ATOM 0 HG22 VAL A 57 76.621 25.624 -4.103 1.00 0.00 H new ATOM 0 HG23 VAL A 57 76.863 27.164 -3.244 1.00 0.00 H new ATOM 906 N LYS A 58 78.133 27.056 -5.522 1.00 0.00 N ATOM 907 CA LYS A 58 79.546 27.257 -5.223 1.00 0.00 C ATOM 908 C LYS A 58 80.223 28.076 -6.317 1.00 0.00 C ATOM 909 O LYS A 58 81.190 28.794 -6.061 1.00 0.00 O ATOM 910 CB LYS A 58 80.253 25.909 -5.069 1.00 0.00 C ATOM 911 CG LYS A 58 80.694 25.299 -6.388 1.00 0.00 C ATOM 912 CD LYS A 58 81.800 24.277 -6.188 1.00 0.00 C ATOM 913 CE LYS A 58 81.346 23.131 -5.298 1.00 0.00 C ATOM 914 NZ LYS A 58 81.879 21.821 -5.764 1.00 0.00 N ATOM 0 H LYS A 58 77.901 26.119 -5.852 1.00 0.00 H new ATOM 0 HA LYS A 58 79.618 27.807 -4.285 1.00 0.00 H new ATOM 0 HB2 LYS A 58 81.125 26.037 -4.428 1.00 0.00 H new ATOM 0 HB3 LYS A 58 79.584 25.213 -4.562 1.00 0.00 H new ATOM 0 HG2 LYS A 58 79.841 24.823 -6.873 1.00 0.00 H new ATOM 0 HG3 LYS A 58 81.042 26.087 -7.056 1.00 0.00 H new ATOM 0 HD2 LYS A 58 82.114 23.885 -7.155 1.00 0.00 H new ATOM 0 HD3 LYS A 58 82.669 24.762 -5.743 1.00 0.00 H new ATOM 0 HE2 LYS A 58 81.675 23.314 -4.275 1.00 0.00 H new ATOM 0 HE3 LYS A 58 80.257 23.094 -5.281 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 82.100 21.224 -4.942 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 81.167 21.347 -6.355 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 82.743 21.976 -6.321 1.00 0.00 H new ATOM 928 N PHE A 59 79.707 27.965 -7.537 1.00 0.00 N ATOM 929 CA PHE A 59 80.262 28.696 -8.671 1.00 0.00 C ATOM 930 C PHE A 59 79.689 30.109 -8.740 1.00 0.00 C ATOM 931 O PHE A 59 80.420 31.076 -8.950 1.00 0.00 O ATOM 932 CB PHE A 59 79.972 27.952 -9.976 1.00 0.00 C ATOM 933 CG PHE A 59 80.325 28.738 -11.205 1.00 0.00 C ATOM 934 CD1 PHE A 59 81.644 29.056 -11.486 1.00 0.00 C ATOM 935 CD2 PHE A 59 79.338 29.159 -12.082 1.00 0.00 C ATOM 936 CE1 PHE A 59 81.972 29.780 -12.616 1.00 0.00 C ATOM 937 CE2 PHE A 59 79.659 29.884 -13.214 1.00 0.00 C ATOM 938 CZ PHE A 59 80.978 30.193 -13.482 1.00 0.00 C ATOM 0 H PHE A 59 78.906 27.376 -7.766 1.00 0.00 H new ATOM 0 HA PHE A 59 81.341 28.766 -8.533 1.00 0.00 H new ATOM 0 HB2 PHE A 59 80.528 27.015 -9.982 1.00 0.00 H new ATOM 0 HB3 PHE A 59 78.913 27.695 -10.011 1.00 0.00 H new ATOM 0 HD1 PHE A 59 82.425 28.734 -10.813 1.00 0.00 H new ATOM 0 HD2 PHE A 59 78.305 28.918 -11.878 1.00 0.00 H new ATOM 0 HE1 PHE A 59 83.004 30.023 -12.822 1.00 0.00 H new ATOM 0 HE2 PHE A 59 78.880 30.208 -13.888 1.00 0.00 H new ATOM 0 HZ PHE A 59 81.232 30.757 -14.367 1.00 0.00 H new ATOM 948 N ARG A 60 78.377 30.218 -8.561 1.00 0.00 N ATOM 949 CA ARG A 60 77.705 31.511 -8.605 1.00 0.00 C ATOM 950 C ARG A 60 78.227 32.432 -7.506 1.00 0.00 C ATOM 951 O ARG A 60 78.150 33.655 -7.619 1.00 0.00 O ATOM 952 CB ARG A 60 76.193 31.329 -8.458 1.00 0.00 C ATOM 953 CG ARG A 60 75.413 32.632 -8.535 1.00 0.00 C ATOM 954 CD ARG A 60 75.472 33.235 -9.930 1.00 0.00 C ATOM 955 NE ARG A 60 76.675 34.037 -10.128 1.00 0.00 N ATOM 956 CZ ARG A 60 77.081 34.472 -11.316 1.00 0.00 C ATOM 957 NH1 ARG A 60 76.382 34.183 -12.406 1.00 0.00 N ATOM 958 NH2 ARG A 60 78.187 35.198 -11.416 1.00 0.00 N ATOM 0 H ARG A 60 77.758 29.427 -8.384 1.00 0.00 H new ATOM 0 HA ARG A 60 77.916 31.970 -9.571 1.00 0.00 H new ATOM 0 HB2 ARG A 60 75.839 30.656 -9.239 1.00 0.00 H new ATOM 0 HB3 ARG A 60 75.985 30.846 -7.503 1.00 0.00 H new ATOM 0 HG2 ARG A 60 74.374 32.452 -8.259 1.00 0.00 H new ATOM 0 HG3 ARG A 60 75.816 33.342 -7.813 1.00 0.00 H new ATOM 0 HD2 ARG A 60 75.442 32.437 -10.672 1.00 0.00 H new ATOM 0 HD3 ARG A 60 74.591 33.856 -10.094 1.00 0.00 H new ATOM 0 HE ARG A 60 77.235 34.277 -9.310 1.00 0.00 H new ATOM 0 HH11 ARG A 60 75.531 33.626 -12.333 1.00 0.00 H new ATOM 0 HH12 ARG A 60 76.696 34.518 -13.317 1.00 0.00 H new ATOM 0 HH21 ARG A 60 78.727 35.423 -10.580 1.00 0.00 H new ATOM 0 HH22 ARG A 60 78.498 35.531 -12.329 1.00 0.00 H new ATOM 972 N ALA A 61 78.756 31.836 -6.443 1.00 0.00 N ATOM 973 CA ALA A 61 79.292 32.602 -5.325 1.00 0.00 C ATOM 974 C ALA A 61 80.766 32.929 -5.539 1.00 0.00 C ATOM 975 O ALA A 61 81.117 34.053 -5.899 1.00 0.00 O ATOM 976 CB ALA A 61 79.102 31.839 -4.023 1.00 0.00 C ATOM 0 H ALA A 61 78.825 30.824 -6.332 1.00 0.00 H new ATOM 0 HA ALA A 61 78.744 33.542 -5.265 1.00 0.00 H new ATOM 0 HB1 ALA A 61 79.507 32.423 -3.197 1.00 0.00 H new ATOM 0 HB2 ALA A 61 78.039 31.663 -3.856 1.00 0.00 H new ATOM 0 HB3 ALA A 61 79.623 30.884 -4.082 1.00 0.00 H new ATOM 982 N PHE A 62 81.625 31.941 -5.314 1.00 0.00 N ATOM 983 CA PHE A 62 83.062 32.124 -5.481 1.00 0.00 C ATOM 984 C PHE A 62 83.797 30.792 -5.365 1.00 0.00 C ATOM 985 O PHE A 62 83.883 30.212 -4.283 1.00 0.00 O ATOM 986 CB PHE A 62 83.597 33.107 -4.438 1.00 0.00 C ATOM 987 CG PHE A 62 83.851 34.483 -4.986 1.00 0.00 C ATOM 988 CD1 PHE A 62 84.794 34.683 -5.981 1.00 0.00 C ATOM 989 CD2 PHE A 62 83.146 35.575 -4.506 1.00 0.00 C ATOM 990 CE1 PHE A 62 85.030 35.948 -6.485 1.00 0.00 C ATOM 991 CE2 PHE A 62 83.377 36.842 -5.007 1.00 0.00 C ATOM 992 CZ PHE A 62 84.320 37.028 -5.999 1.00 0.00 C ATOM 0 H PHE A 62 81.351 31.005 -5.015 1.00 0.00 H new ATOM 0 HA PHE A 62 83.238 32.530 -6.477 1.00 0.00 H new ATOM 0 HB2 PHE A 62 82.883 33.177 -3.617 1.00 0.00 H new ATOM 0 HB3 PHE A 62 84.524 32.714 -4.021 1.00 0.00 H new ATOM 0 HD1 PHE A 62 85.350 33.842 -6.367 1.00 0.00 H new ATOM 0 HD2 PHE A 62 82.407 35.434 -3.731 1.00 0.00 H new ATOM 0 HE1 PHE A 62 85.770 36.092 -7.259 1.00 0.00 H new ATOM 0 HE2 PHE A 62 82.821 37.685 -4.624 1.00 0.00 H new ATOM 0 HZ PHE A 62 84.502 38.017 -6.394 1.00 0.00 H new ATOM 1002 N GLU A 63 84.325 30.314 -6.488 1.00 0.00 N ATOM 1003 CA GLU A 63 85.051 29.050 -6.512 1.00 0.00 C ATOM 1004 C GLU A 63 86.446 29.212 -5.914 1.00 0.00 C ATOM 1005 O GLU A 63 87.192 28.243 -5.779 1.00 0.00 O ATOM 1006 CB GLU A 63 85.156 28.524 -7.945 1.00 0.00 C ATOM 1007 CG GLU A 63 86.078 29.346 -8.829 1.00 0.00 C ATOM 1008 CD GLU A 63 87.523 28.891 -8.749 1.00 0.00 C ATOM 1009 OE1 GLU A 63 87.852 27.854 -9.362 1.00 0.00 O ATOM 1010 OE2 GLU A 63 88.323 29.571 -8.074 1.00 0.00 O ATOM 0 H GLU A 63 84.263 30.783 -7.392 1.00 0.00 H new ATOM 0 HA GLU A 63 84.497 28.331 -5.908 1.00 0.00 H new ATOM 0 HB2 GLU A 63 85.513 27.495 -7.920 1.00 0.00 H new ATOM 0 HB3 GLU A 63 84.161 28.505 -8.390 1.00 0.00 H new ATOM 0 HG2 GLU A 63 85.737 29.281 -9.862 1.00 0.00 H new ATOM 0 HG3 GLU A 63 86.015 30.394 -8.538 1.00 0.00 H new ATOM 1081 N ARG A 68 85.300 24.964 -0.276 1.00 0.00 N ATOM 1082 CA ARG A 68 85.446 23.693 0.424 1.00 0.00 C ATOM 1083 C ARG A 68 84.828 22.554 -0.382 1.00 0.00 C ATOM 1084 O ARG A 68 85.538 21.757 -0.996 1.00 0.00 O ATOM 1085 CB ARG A 68 84.791 23.769 1.804 1.00 0.00 C ATOM 1086 CG ARG A 68 84.714 22.428 2.517 1.00 0.00 C ATOM 1087 CD ARG A 68 86.092 21.808 2.686 1.00 0.00 C ATOM 1088 NE ARG A 68 86.263 21.206 4.006 1.00 0.00 N ATOM 1089 CZ ARG A 68 86.386 21.912 5.124 1.00 0.00 C ATOM 1090 NH1 ARG A 68 86.357 23.237 5.083 1.00 0.00 N ATOM 1091 NH2 ARG A 68 86.539 21.292 6.288 1.00 0.00 N ATOM 0 HA ARG A 68 86.511 23.494 0.545 1.00 0.00 H new ATOM 0 HB2 ARG A 68 85.351 24.469 2.424 1.00 0.00 H new ATOM 0 HB3 ARG A 68 83.784 24.172 1.697 1.00 0.00 H new ATOM 0 HG2 ARG A 68 84.251 22.560 3.495 1.00 0.00 H new ATOM 0 HG3 ARG A 68 84.075 21.750 1.951 1.00 0.00 H new ATOM 0 HD2 ARG A 68 86.245 21.049 1.919 1.00 0.00 H new ATOM 0 HD3 ARG A 68 86.854 22.572 2.534 1.00 0.00 H new ATOM 0 HE ARG A 68 86.289 20.189 4.073 1.00 0.00 H new ATOM 0 HH11 ARG A 68 86.240 23.717 4.191 1.00 0.00 H new ATOM 0 HH12 ARG A 68 86.452 23.776 5.944 1.00 0.00 H new ATOM 0 HH21 ARG A 68 86.562 20.273 6.324 1.00 0.00 H new ATOM 0 HH22 ARG A 68 86.633 21.835 7.146 1.00 0.00 H new ATOM 1105 N THR A 69 83.500 22.484 -0.376 1.00 0.00 N ATOM 1106 CA THR A 69 82.787 21.442 -1.105 1.00 0.00 C ATOM 1107 C THR A 69 81.332 21.833 -1.338 1.00 0.00 C ATOM 1108 O THR A 69 80.713 22.489 -0.500 1.00 0.00 O ATOM 1109 CB THR A 69 82.832 20.099 -0.352 1.00 0.00 C ATOM 1110 OG1 THR A 69 84.179 19.794 0.026 1.00 0.00 O ATOM 1111 CG2 THR A 69 82.276 18.977 -1.215 1.00 0.00 C ATOM 0 H THR A 69 82.897 23.136 0.125 1.00 0.00 H new ATOM 0 HA THR A 69 83.288 21.328 -2.066 1.00 0.00 H new ATOM 0 HB THR A 69 82.216 20.188 0.543 1.00 0.00 H new ATOM 0 HG1 THR A 69 84.800 20.237 -0.589 1.00 0.00 H new ATOM 0 HG21 THR A 69 82.318 18.038 -0.663 1.00 0.00 H new ATOM 0 HG22 THR A 69 81.241 19.198 -1.477 1.00 0.00 H new ATOM 0 HG23 THR A 69 82.870 18.889 -2.125 1.00 0.00 H new ATOM 1119 N TYR A 70 80.791 21.425 -2.480 1.00 0.00 N ATOM 1120 CA TYR A 70 79.408 21.734 -2.824 1.00 0.00 C ATOM 1121 C TYR A 70 78.471 21.401 -1.667 1.00 0.00 C ATOM 1122 O TYR A 70 77.596 22.191 -1.314 1.00 0.00 O ATOM 1123 CB TYR A 70 78.986 20.961 -4.075 1.00 0.00 C ATOM 1124 CG TYR A 70 79.113 19.461 -3.930 1.00 0.00 C ATOM 1125 CD1 TYR A 70 80.334 18.825 -4.120 1.00 0.00 C ATOM 1126 CD2 TYR A 70 78.012 18.679 -3.603 1.00 0.00 C ATOM 1127 CE1 TYR A 70 80.454 17.455 -3.990 1.00 0.00 C ATOM 1128 CE2 TYR A 70 78.123 17.309 -3.470 1.00 0.00 C ATOM 1129 CZ TYR A 70 79.346 16.702 -3.665 1.00 0.00 C ATOM 1130 OH TYR A 70 79.461 15.337 -3.533 1.00 0.00 O ATOM 0 H TYR A 70 81.289 20.879 -3.184 1.00 0.00 H new ATOM 0 HA TYR A 70 79.341 22.803 -3.026 1.00 0.00 H new ATOM 0 HB2 TYR A 70 77.952 21.209 -4.313 1.00 0.00 H new ATOM 0 HB3 TYR A 70 79.595 21.289 -4.918 1.00 0.00 H new ATOM 0 HD1 TYR A 70 81.204 19.412 -4.374 1.00 0.00 H new ATOM 0 HD2 TYR A 70 77.053 19.151 -3.450 1.00 0.00 H new ATOM 0 HE1 TYR A 70 81.410 16.977 -4.142 1.00 0.00 H new ATOM 0 HE2 TYR A 70 77.257 16.716 -3.215 1.00 0.00 H new ATOM 0 HH TYR A 70 78.589 14.956 -3.300 1.00 0.00 H new ATOM 1140 N VAL A 71 78.663 20.224 -1.079 1.00 0.00 N ATOM 1141 CA VAL A 71 77.838 19.785 0.040 1.00 0.00 C ATOM 1142 C VAL A 71 77.975 20.731 1.228 1.00 0.00 C ATOM 1143 O VAL A 71 76.999 21.019 1.921 1.00 0.00 O ATOM 1144 CB VAL A 71 78.211 18.359 0.487 1.00 0.00 C ATOM 1145 CG1 VAL A 71 79.680 18.288 0.873 1.00 0.00 C ATOM 1146 CG2 VAL A 71 77.326 17.915 1.642 1.00 0.00 C ATOM 0 H VAL A 71 79.383 19.558 -1.359 1.00 0.00 H new ATOM 0 HA VAL A 71 76.805 19.790 -0.307 1.00 0.00 H new ATOM 0 HB VAL A 71 78.046 17.680 -0.349 1.00 0.00 H new ATOM 0 HG11 VAL A 71 79.925 17.273 1.186 1.00 0.00 H new ATOM 0 HG12 VAL A 71 80.295 18.562 0.016 1.00 0.00 H new ATOM 0 HG13 VAL A 71 79.874 18.978 1.694 1.00 0.00 H new ATOM 0 HG21 VAL A 71 77.603 16.905 1.945 1.00 0.00 H new ATOM 0 HG22 VAL A 71 77.457 18.596 2.483 1.00 0.00 H new ATOM 0 HG23 VAL A 71 76.283 17.926 1.326 1.00 0.00 H new ATOM 1156 N ASP A 72 79.192 21.211 1.457 1.00 0.00 N ATOM 1157 CA ASP A 72 79.457 22.127 2.561 1.00 0.00 C ATOM 1158 C ASP A 72 78.618 23.394 2.430 1.00 0.00 C ATOM 1159 O ASP A 72 78.052 23.881 3.410 1.00 0.00 O ATOM 1160 CB ASP A 72 80.943 22.486 2.608 1.00 0.00 C ATOM 1161 CG ASP A 72 81.636 21.926 3.834 1.00 0.00 C ATOM 1162 OD1 ASP A 72 81.517 22.540 4.915 1.00 0.00 O ATOM 1163 OD2 ASP A 72 82.298 20.874 3.714 1.00 0.00 O ATOM 0 H ASP A 72 80.011 20.981 0.893 1.00 0.00 H new ATOM 0 HA ASP A 72 79.183 21.627 3.490 1.00 0.00 H new ATOM 0 HB2 ASP A 72 81.434 22.106 1.712 1.00 0.00 H new ATOM 0 HB3 ASP A 72 81.052 23.570 2.596 1.00 0.00 H new ATOM 1168 N LEU A 73 78.544 23.924 1.214 1.00 0.00 N ATOM 1169 CA LEU A 73 77.775 25.137 0.954 1.00 0.00 C ATOM 1170 C LEU A 73 76.299 24.924 1.275 1.00 0.00 C ATOM 1171 O LEU A 73 75.727 25.622 2.113 1.00 0.00 O ATOM 1172 CB LEU A 73 77.935 25.563 -0.506 1.00 0.00 C ATOM 1173 CG LEU A 73 79.289 26.165 -0.885 1.00 0.00 C ATOM 1174 CD1 LEU A 73 80.167 25.122 -1.559 1.00 0.00 C ATOM 1175 CD2 LEU A 73 79.100 27.373 -1.790 1.00 0.00 C ATOM 0 H LEU A 73 79.007 23.534 0.393 1.00 0.00 H new ATOM 0 HA LEU A 73 78.158 25.927 1.600 1.00 0.00 H new ATOM 0 HB2 LEU A 73 77.756 24.694 -1.139 1.00 0.00 H new ATOM 0 HB3 LEU A 73 77.158 26.291 -0.738 1.00 0.00 H new ATOM 0 HG LEU A 73 79.788 26.494 0.027 1.00 0.00 H new ATOM 0 HD11 LEU A 73 81.126 25.568 -1.822 1.00 0.00 H new ATOM 0 HD12 LEU A 73 80.330 24.288 -0.877 1.00 0.00 H new ATOM 0 HD13 LEU A 73 79.675 24.761 -2.462 1.00 0.00 H new ATOM 0 HD21 LEU A 73 80.073 27.789 -2.050 1.00 0.00 H new ATOM 0 HD22 LEU A 73 78.581 27.069 -2.699 1.00 0.00 H new ATOM 0 HD23 LEU A 73 78.510 28.128 -1.271 1.00 0.00 H new ATOM 1187 N LYS A 74 75.686 23.955 0.604 1.00 0.00 N ATOM 1188 CA LYS A 74 74.277 23.647 0.818 1.00 0.00 C ATOM 1189 C LYS A 74 74.016 23.280 2.276 1.00 0.00 C ATOM 1190 O LYS A 74 72.979 23.632 2.837 1.00 0.00 O ATOM 1191 CB LYS A 74 73.841 22.497 -0.094 1.00 0.00 C ATOM 1192 CG LYS A 74 72.589 21.783 0.386 1.00 0.00 C ATOM 1193 CD LYS A 74 71.770 21.252 -0.778 1.00 0.00 C ATOM 1194 CE LYS A 74 70.397 20.780 -0.324 1.00 0.00 C ATOM 1195 NZ LYS A 74 70.386 19.323 -0.015 1.00 0.00 N ATOM 0 H LYS A 74 76.144 23.369 -0.094 1.00 0.00 H new ATOM 0 HA LYS A 74 73.695 24.536 0.575 1.00 0.00 H new ATOM 0 HB2 LYS A 74 73.666 22.886 -1.097 1.00 0.00 H new ATOM 0 HB3 LYS A 74 74.655 21.776 -0.170 1.00 0.00 H new ATOM 0 HG2 LYS A 74 72.868 20.958 1.042 1.00 0.00 H new ATOM 0 HG3 LYS A 74 71.982 22.469 0.977 1.00 0.00 H new ATOM 0 HD2 LYS A 74 71.657 22.032 -1.531 1.00 0.00 H new ATOM 0 HD3 LYS A 74 72.301 20.427 -1.252 1.00 0.00 H new ATOM 0 HE2 LYS A 74 70.094 21.341 0.560 1.00 0.00 H new ATOM 0 HE3 LYS A 74 69.664 20.992 -1.103 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 69.433 19.040 0.291 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 70.651 18.786 -0.865 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 71.067 19.124 0.746 1.00 0.00 H new ATOM 1209 N ASP A 75 74.964 22.574 2.882 1.00 0.00 N ATOM 1210 CA ASP A 75 74.837 22.163 4.276 1.00 0.00 C ATOM 1211 C ASP A 75 74.910 23.369 5.207 1.00 0.00 C ATOM 1212 O ASP A 75 74.201 23.436 6.211 1.00 0.00 O ATOM 1213 CB ASP A 75 75.933 21.158 4.635 1.00 0.00 C ATOM 1214 CG ASP A 75 75.579 19.743 4.222 1.00 0.00 C ATOM 1215 OD1 ASP A 75 74.453 19.534 3.723 1.00 0.00 O ATOM 1216 OD2 ASP A 75 76.427 18.844 4.398 1.00 0.00 O ATOM 0 H ASP A 75 75.828 22.274 2.431 1.00 0.00 H new ATOM 0 HA ASP A 75 73.864 21.688 4.402 1.00 0.00 H new ATOM 0 HB2 ASP A 75 76.864 21.452 4.151 1.00 0.00 H new ATOM 0 HB3 ASP A 75 76.110 21.186 5.710 1.00 0.00 H new ATOM 1221 N LYS A 76 75.774 24.320 4.868 1.00 0.00 N ATOM 1222 CA LYS A 76 75.941 25.524 5.673 1.00 0.00 C ATOM 1223 C LYS A 76 74.633 26.304 5.763 1.00 0.00 C ATOM 1224 O LYS A 76 74.226 26.728 6.845 1.00 0.00 O ATOM 1225 CB LYS A 76 77.036 26.412 5.078 1.00 0.00 C ATOM 1226 CG LYS A 76 78.189 26.677 6.031 1.00 0.00 C ATOM 1227 CD LYS A 76 79.095 25.464 6.161 1.00 0.00 C ATOM 1228 CE LYS A 76 80.562 25.850 6.055 1.00 0.00 C ATOM 1229 NZ LYS A 76 81.453 24.813 6.646 1.00 0.00 N ATOM 0 H LYS A 76 76.370 24.280 4.041 1.00 0.00 H new ATOM 0 HA LYS A 76 76.233 25.221 6.678 1.00 0.00 H new ATOM 0 HB2 LYS A 76 77.423 25.941 4.175 1.00 0.00 H new ATOM 0 HB3 LYS A 76 76.597 27.364 4.778 1.00 0.00 H new ATOM 0 HG2 LYS A 76 78.769 27.529 5.674 1.00 0.00 H new ATOM 0 HG3 LYS A 76 77.797 26.946 7.012 1.00 0.00 H new ATOM 0 HD2 LYS A 76 78.915 24.975 7.118 1.00 0.00 H new ATOM 0 HD3 LYS A 76 78.851 24.741 5.383 1.00 0.00 H new ATOM 0 HE2 LYS A 76 80.823 25.999 5.007 1.00 0.00 H new ATOM 0 HE3 LYS A 76 80.725 26.801 6.563 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 82.416 25.195 6.740 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 81.095 24.542 7.584 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 81.471 23.977 6.027 1.00 0.00 H new ATOM 1243 N TRP A 77 73.980 26.489 4.622 1.00 0.00 N ATOM 1244 CA TRP A 77 72.717 27.216 4.573 1.00 0.00 C ATOM 1245 C TRP A 77 71.632 26.477 5.349 1.00 0.00 C ATOM 1246 O TRP A 77 70.898 27.077 6.134 1.00 0.00 O ATOM 1247 CB TRP A 77 72.276 27.418 3.122 1.00 0.00 C ATOM 1248 CG TRP A 77 70.824 27.127 2.897 1.00 0.00 C ATOM 1249 CD1 TRP A 77 69.761 27.824 3.396 1.00 0.00 C ATOM 1250 CD2 TRP A 77 70.275 26.060 2.115 1.00 0.00 C ATOM 1251 NE1 TRP A 77 68.584 27.255 2.973 1.00 0.00 N ATOM 1252 CE2 TRP A 77 68.872 26.172 2.185 1.00 0.00 C ATOM 1253 CE3 TRP A 77 70.831 25.023 1.362 1.00 0.00 C ATOM 1254 CZ2 TRP A 77 68.022 25.285 1.531 1.00 0.00 C ATOM 1255 CZ3 TRP A 77 69.985 24.143 0.714 1.00 0.00 C ATOM 1256 CH2 TRP A 77 68.593 24.278 0.801 1.00 0.00 C ATOM 0 H TRP A 77 74.304 26.146 3.718 1.00 0.00 H new ATOM 0 HA TRP A 77 72.870 28.190 5.038 1.00 0.00 H new ATOM 0 HB2 TRP A 77 72.483 28.447 2.827 1.00 0.00 H new ATOM 0 HB3 TRP A 77 72.873 26.774 2.475 1.00 0.00 H new ATOM 0 HD1 TRP A 77 69.835 28.695 4.030 1.00 0.00 H new ATOM 0 HE1 TRP A 77 67.648 27.585 3.208 1.00 0.00 H new ATOM 0 HE3 TRP A 77 71.903 24.911 1.288 1.00 0.00 H new ATOM 0 HZ2 TRP A 77 66.949 25.388 1.597 1.00 0.00 H new ATOM 0 HZ3 TRP A 77 70.404 23.337 0.130 1.00 0.00 H new ATOM 0 HH2 TRP A 77 67.959 23.574 0.282 1.00 0.00 H new ATOM 1267 N LYS A 78 71.536 25.171 5.124 1.00 0.00 N ATOM 1268 CA LYS A 78 70.542 24.348 5.803 1.00 0.00 C ATOM 1269 C LYS A 78 70.762 24.364 7.312 1.00 0.00 C ATOM 1270 O LYS A 78 69.823 24.559 8.085 1.00 0.00 O ATOM 1271 CB LYS A 78 70.600 22.910 5.283 1.00 0.00 C ATOM 1272 CG LYS A 78 69.660 21.963 6.010 1.00 0.00 C ATOM 1273 CD LYS A 78 68.205 22.315 5.752 1.00 0.00 C ATOM 1274 CE LYS A 78 67.282 21.153 6.087 1.00 0.00 C ATOM 1275 NZ LYS A 78 65.863 21.456 5.752 1.00 0.00 N ATOM 0 H LYS A 78 72.135 24.659 4.476 1.00 0.00 H new ATOM 0 HA LYS A 78 69.557 24.764 5.593 1.00 0.00 H new ATOM 0 HB2 LYS A 78 70.356 22.906 4.221 1.00 0.00 H new ATOM 0 HB3 LYS A 78 71.621 22.539 5.377 1.00 0.00 H new ATOM 0 HG2 LYS A 78 69.851 20.940 5.686 1.00 0.00 H new ATOM 0 HG3 LYS A 78 69.860 22.001 7.081 1.00 0.00 H new ATOM 0 HD2 LYS A 78 67.929 23.184 6.349 1.00 0.00 H new ATOM 0 HD3 LYS A 78 68.077 22.593 4.706 1.00 0.00 H new ATOM 0 HE2 LYS A 78 67.602 20.266 5.541 1.00 0.00 H new ATOM 0 HE3 LYS A 78 67.362 20.920 7.149 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 65.267 20.639 5.995 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 65.549 22.287 6.292 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 65.781 21.653 4.734 1.00 0.00 H new ATOM 1289 N THR A 79 72.008 24.159 7.727 1.00 0.00 N ATOM 1290 CA THR A 79 72.351 24.151 9.143 1.00 0.00 C ATOM 1291 C THR A 79 72.041 25.495 9.792 1.00 0.00 C ATOM 1292 O THR A 79 71.358 25.559 10.815 1.00 0.00 O ATOM 1293 CB THR A 79 73.840 23.820 9.359 1.00 0.00 C ATOM 1294 OG1 THR A 79 74.178 22.612 8.669 1.00 0.00 O ATOM 1295 CG2 THR A 79 74.152 23.670 10.840 1.00 0.00 C ATOM 0 H THR A 79 72.797 23.996 7.101 1.00 0.00 H new ATOM 0 HA THR A 79 71.743 23.377 9.611 1.00 0.00 H new ATOM 0 HB THR A 79 74.434 24.643 8.961 1.00 0.00 H new ATOM 0 HG1 THR A 79 74.126 22.762 7.702 1.00 0.00 H new ATOM 0 HG21 THR A 79 75.209 23.436 10.967 1.00 0.00 H new ATOM 0 HG22 THR A 79 73.921 24.602 11.357 1.00 0.00 H new ATOM 0 HG23 THR A 79 73.549 22.864 11.259 1.00 0.00 H new ATOM 1303 N LEU A 80 72.547 26.567 9.192 1.00 0.00 N ATOM 1304 CA LEU A 80 72.323 27.911 9.711 1.00 0.00 C ATOM 1305 C LEU A 80 70.834 28.237 9.756 1.00 0.00 C ATOM 1306 O LEU A 80 70.370 28.951 10.646 1.00 0.00 O ATOM 1307 CB LEU A 80 73.056 28.941 8.850 1.00 0.00 C ATOM 1308 CG LEU A 80 72.204 29.681 7.818 1.00 0.00 C ATOM 1309 CD1 LEU A 80 71.472 30.845 8.467 1.00 0.00 C ATOM 1310 CD2 LEU A 80 73.068 30.169 6.664 1.00 0.00 C ATOM 0 H LEU A 80 73.115 26.531 8.346 1.00 0.00 H new ATOM 0 HA LEU A 80 72.716 27.951 10.727 1.00 0.00 H new ATOM 0 HB2 LEU A 80 73.513 29.678 9.510 1.00 0.00 H new ATOM 0 HB3 LEU A 80 73.868 28.436 8.327 1.00 0.00 H new ATOM 0 HG LEU A 80 71.463 28.987 7.422 1.00 0.00 H new ATOM 0 HD11 LEU A 80 70.871 31.360 7.718 1.00 0.00 H new ATOM 0 HD12 LEU A 80 70.823 30.471 9.259 1.00 0.00 H new ATOM 0 HD13 LEU A 80 72.197 31.540 8.891 1.00 0.00 H new ATOM 0 HD21 LEU A 80 72.445 30.693 5.939 1.00 0.00 H new ATOM 0 HD22 LEU A 80 73.832 30.847 7.043 1.00 0.00 H new ATOM 0 HD23 LEU A 80 73.546 29.317 6.182 1.00 0.00 H new ATOM 1322 N VAL A 81 70.088 27.707 8.792 1.00 0.00 N ATOM 1323 CA VAL A 81 68.650 27.939 8.723 1.00 0.00 C ATOM 1324 C VAL A 81 67.930 27.270 9.889 1.00 0.00 C ATOM 1325 O VAL A 81 67.070 27.875 10.530 1.00 0.00 O ATOM 1326 CB VAL A 81 68.060 27.414 7.400 1.00 0.00 C ATOM 1327 CG1 VAL A 81 66.579 27.109 7.560 1.00 0.00 C ATOM 1328 CG2 VAL A 81 68.288 28.419 6.281 1.00 0.00 C ATOM 0 H VAL A 81 70.456 27.114 8.048 1.00 0.00 H new ATOM 0 HA VAL A 81 68.499 29.017 8.777 1.00 0.00 H new ATOM 0 HB VAL A 81 68.570 26.488 7.136 1.00 0.00 H new ATOM 0 HG11 VAL A 81 66.180 26.739 6.616 1.00 0.00 H new ATOM 0 HG12 VAL A 81 66.445 26.351 8.332 1.00 0.00 H new ATOM 0 HG13 VAL A 81 66.049 28.017 7.847 1.00 0.00 H new ATOM 0 HG21 VAL A 81 67.865 28.033 5.353 1.00 0.00 H new ATOM 0 HG22 VAL A 81 67.805 29.362 6.535 1.00 0.00 H new ATOM 0 HG23 VAL A 81 69.358 28.583 6.152 1.00 0.00 H new ATOM 1338 N HIS A 82 68.286 26.018 10.158 1.00 0.00 N ATOM 1339 CA HIS A 82 67.674 25.267 11.248 1.00 0.00 C ATOM 1340 C HIS A 82 67.920 25.955 12.587 1.00 0.00 C ATOM 1341 O HIS A 82 67.043 25.988 13.451 1.00 0.00 O ATOM 1342 CB HIS A 82 68.224 23.841 11.285 1.00 0.00 C ATOM 1343 CG HIS A 82 67.423 22.911 12.143 1.00 0.00 C ATOM 1344 ND1 HIS A 82 67.945 21.763 12.700 1.00 0.00 N ATOM 1345 CD2 HIS A 82 66.130 22.966 12.540 1.00 0.00 C ATOM 1346 CE1 HIS A 82 67.007 21.151 13.401 1.00 0.00 C ATOM 1347 NE2 HIS A 82 65.897 21.861 13.321 1.00 0.00 N ATOM 0 H HIS A 82 68.995 25.502 9.636 1.00 0.00 H new ATOM 0 HA HIS A 82 66.599 25.229 11.071 1.00 0.00 H new ATOM 0 HB2 HIS A 82 68.257 23.447 10.269 1.00 0.00 H new ATOM 0 HB3 HIS A 82 69.250 23.866 11.651 1.00 0.00 H new ATOM 0 HD2 HIS A 82 65.415 23.736 12.289 1.00 0.00 H new ATOM 0 HE1 HIS A 82 67.128 20.227 13.947 1.00 0.00 H new ATOM 0 HE2 HIS A 82 65.010 21.627 13.767 1.00 0.00 H new ATOM 1355 N THR A 83 69.120 26.502 12.754 1.00 0.00 N ATOM 1356 CA THR A 83 69.483 27.187 13.989 1.00 0.00 C ATOM 1357 C THR A 83 68.778 28.534 14.098 1.00 0.00 C ATOM 1358 O THR A 83 68.482 29.003 15.196 1.00 0.00 O ATOM 1359 CB THR A 83 71.005 27.408 14.082 1.00 0.00 C ATOM 1360 OG1 THR A 83 71.696 26.189 13.789 1.00 0.00 O ATOM 1361 CG2 THR A 83 71.396 27.898 15.468 1.00 0.00 C ATOM 0 H THR A 83 69.857 26.484 12.049 1.00 0.00 H new ATOM 0 HA THR A 83 69.165 26.546 14.811 1.00 0.00 H new ATOM 0 HB THR A 83 71.285 28.168 13.352 1.00 0.00 H new ATOM 0 HG1 THR A 83 71.607 25.984 12.835 1.00 0.00 H new ATOM 0 HG21 THR A 83 72.475 28.047 15.510 1.00 0.00 H new ATOM 0 HG22 THR A 83 70.891 28.841 15.676 1.00 0.00 H new ATOM 0 HG23 THR A 83 71.103 27.157 16.212 1.00 0.00 H new ATOM 1369 N ALA A 84 68.509 29.150 12.951 1.00 0.00 N ATOM 1370 CA ALA A 84 67.836 30.443 12.919 1.00 0.00 C ATOM 1371 C ALA A 84 66.321 30.273 12.956 1.00 0.00 C ATOM 1372 O ALA A 84 65.579 31.250 13.063 1.00 0.00 O ATOM 1373 CB ALA A 84 68.251 31.223 11.681 1.00 0.00 C ATOM 0 H ALA A 84 68.747 28.775 12.033 1.00 0.00 H new ATOM 0 HA ALA A 84 68.135 31.003 13.805 1.00 0.00 H new ATOM 0 HB1 ALA A 84 67.741 32.186 11.670 1.00 0.00 H new ATOM 0 HB2 ALA A 84 69.329 31.383 11.696 1.00 0.00 H new ATOM 0 HB3 ALA A 84 67.981 30.659 10.788 1.00 0.00 H new ATOM 1379 N SER A 85 65.867 29.027 12.865 1.00 0.00 N ATOM 1380 CA SER A 85 64.439 28.730 12.884 1.00 0.00 C ATOM 1381 C SER A 85 64.026 28.134 14.226 1.00 0.00 C ATOM 1382 O SER A 85 62.921 28.380 14.712 1.00 0.00 O ATOM 1383 CB SER A 85 64.083 27.763 11.753 1.00 0.00 C ATOM 1384 OG SER A 85 62.714 27.866 11.406 1.00 0.00 O ATOM 0 H SER A 85 66.467 28.207 12.777 1.00 0.00 H new ATOM 0 HA SER A 85 63.897 29.664 12.739 1.00 0.00 H new ATOM 0 HB2 SER A 85 64.700 27.977 10.880 1.00 0.00 H new ATOM 0 HB3 SER A 85 64.308 26.741 12.060 1.00 0.00 H new ATOM 0 HG SER A 85 62.512 27.239 10.680 1.00 0.00 H new ATOM 1390 N ILE A 86 64.920 27.351 14.819 1.00 0.00 N ATOM 1391 CA ILE A 86 64.649 26.721 16.106 1.00 0.00 C ATOM 1392 C ILE A 86 64.224 27.753 17.145 1.00 0.00 C ATOM 1393 O ILE A 86 64.234 28.955 16.880 1.00 0.00 O ATOM 1394 CB ILE A 86 65.881 25.959 16.630 1.00 0.00 C ATOM 1395 CG1 ILE A 86 67.124 26.848 16.562 1.00 0.00 C ATOM 1396 CG2 ILE A 86 66.092 24.681 15.832 1.00 0.00 C ATOM 1397 CD1 ILE A 86 68.333 26.248 17.246 1.00 0.00 C ATOM 0 H ILE A 86 65.838 27.137 14.430 1.00 0.00 H new ATOM 0 HA ILE A 86 63.835 26.014 15.946 1.00 0.00 H new ATOM 0 HB ILE A 86 65.707 25.689 17.672 1.00 0.00 H new ATOM 0 HG12 ILE A 86 67.366 27.041 15.517 1.00 0.00 H new ATOM 0 HG13 ILE A 86 66.898 27.811 17.020 1.00 0.00 H new ATOM 0 HG21 ILE A 86 66.966 24.154 16.214 1.00 0.00 H new ATOM 0 HG22 ILE A 86 65.213 24.043 15.927 1.00 0.00 H new ATOM 0 HG23 ILE A 86 66.248 24.929 14.782 1.00 0.00 H new ATOM 0 HD11 ILE A 86 69.177 26.932 17.159 1.00 0.00 H new ATOM 0 HD12 ILE A 86 68.109 26.080 18.300 1.00 0.00 H new ATOM 0 HD13 ILE A 86 68.585 25.299 16.773 1.00 0.00 H new ATOM 1409 N ALA A 87 63.853 27.275 18.328 1.00 0.00 N ATOM 1410 CA ALA A 87 63.428 28.157 19.408 1.00 0.00 C ATOM 1411 C ALA A 87 64.448 29.265 19.646 1.00 0.00 C ATOM 1412 O ALA A 87 65.610 29.167 19.252 1.00 0.00 O ATOM 1413 CB ALA A 87 63.206 27.358 20.684 1.00 0.00 C ATOM 0 H ALA A 87 63.838 26.283 18.563 1.00 0.00 H new ATOM 0 HA ALA A 87 62.487 28.623 19.115 1.00 0.00 H new ATOM 0 HB1 ALA A 87 62.889 28.029 21.483 1.00 0.00 H new ATOM 0 HB2 ALA A 87 62.435 26.607 20.513 1.00 0.00 H new ATOM 0 HB3 ALA A 87 64.135 26.866 20.971 1.00 0.00 H new ATOM 1419 N PRO A 88 64.005 30.346 20.306 1.00 0.00 N ATOM 1420 CA PRO A 88 64.864 31.494 20.611 1.00 0.00 C ATOM 1421 C PRO A 88 65.921 31.165 21.660 1.00 0.00 C ATOM 1422 O PRO A 88 66.985 31.781 21.696 1.00 0.00 O ATOM 1423 CB PRO A 88 63.883 32.538 21.149 1.00 0.00 C ATOM 1424 CG PRO A 88 62.742 31.745 21.685 1.00 0.00 C ATOM 1425 CD PRO A 88 62.632 30.531 20.805 1.00 0.00 C ATOM 0 HA PRO A 88 65.425 31.827 19.738 1.00 0.00 H new ATOM 0 HB2 PRO A 88 64.341 33.148 21.927 1.00 0.00 H new ATOM 0 HB3 PRO A 88 63.557 33.218 20.362 1.00 0.00 H new ATOM 0 HG2 PRO A 88 62.918 31.460 22.722 1.00 0.00 H new ATOM 0 HG3 PRO A 88 61.820 32.326 21.666 1.00 0.00 H new ATOM 0 HD2 PRO A 88 62.286 29.661 21.363 1.00 0.00 H new ATOM 0 HD3 PRO A 88 61.926 30.688 19.990 1.00 0.00 H new ATOM 1433 N GLN A 89 65.618 30.190 22.512 1.00 0.00 N ATOM 1434 CA GLN A 89 66.543 29.780 23.562 1.00 0.00 C ATOM 1435 C GLN A 89 67.582 28.803 23.022 1.00 0.00 C ATOM 1436 O GLN A 89 68.665 28.660 23.588 1.00 0.00 O ATOM 1437 CB GLN A 89 65.779 29.141 24.722 1.00 0.00 C ATOM 1438 CG GLN A 89 64.877 27.993 24.298 1.00 0.00 C ATOM 1439 CD GLN A 89 64.328 27.215 25.477 1.00 0.00 C ATOM 1440 OE1 GLN A 89 65.022 27.002 26.472 1.00 0.00 O ATOM 1441 NE2 GLN A 89 63.076 26.785 25.373 1.00 0.00 N ATOM 0 H GLN A 89 64.740 29.670 22.496 1.00 0.00 H new ATOM 0 HA GLN A 89 67.061 30.669 23.923 1.00 0.00 H new ATOM 0 HB2 GLN A 89 66.494 28.777 25.460 1.00 0.00 H new ATOM 0 HB3 GLN A 89 65.175 29.904 25.213 1.00 0.00 H new ATOM 0 HG2 GLN A 89 64.048 28.386 23.709 1.00 0.00 H new ATOM 0 HG3 GLN A 89 65.436 27.317 23.650 1.00 0.00 H new ATOM 0 HE21 GLN A 89 62.537 26.984 24.530 1.00 0.00 H new ATOM 0 HE22 GLN A 89 62.654 26.256 26.136 1.00 0.00 H new ATOM 1450 N GLN A 90 67.243 28.134 21.925 1.00 0.00 N ATOM 1451 CA GLN A 90 68.147 27.169 21.310 1.00 0.00 C ATOM 1452 C GLN A 90 68.958 27.819 20.193 1.00 0.00 C ATOM 1453 O GLN A 90 70.140 27.523 20.018 1.00 0.00 O ATOM 1454 CB GLN A 90 67.360 25.980 20.758 1.00 0.00 C ATOM 1455 CG GLN A 90 66.714 25.125 21.837 1.00 0.00 C ATOM 1456 CD GLN A 90 67.709 24.221 22.539 1.00 0.00 C ATOM 1457 OE1 GLN A 90 68.150 23.215 21.984 1.00 0.00 O ATOM 1458 NE2 GLN A 90 68.068 24.577 23.767 1.00 0.00 N ATOM 0 H GLN A 90 66.350 28.242 21.444 1.00 0.00 H new ATOM 0 HA GLN A 90 68.836 26.815 22.077 1.00 0.00 H new ATOM 0 HB2 GLN A 90 66.585 26.348 20.085 1.00 0.00 H new ATOM 0 HB3 GLN A 90 68.028 25.357 20.164 1.00 0.00 H new ATOM 0 HG2 GLN A 90 66.237 25.773 22.572 1.00 0.00 H new ATOM 0 HG3 GLN A 90 65.928 24.516 21.391 1.00 0.00 H new ATOM 0 HE21 GLN A 90 67.677 25.420 24.189 1.00 0.00 H new ATOM 0 HE22 GLN A 90 68.735 24.008 24.289 1.00 0.00 H new ATOM 1467 N ARG A 91 68.315 28.704 19.439 1.00 0.00 N ATOM 1468 CA ARG A 91 68.976 29.394 18.338 1.00 0.00 C ATOM 1469 C ARG A 91 70.239 30.101 18.820 1.00 0.00 C ATOM 1470 O ARG A 91 71.175 30.315 18.049 1.00 0.00 O ATOM 1471 CB ARG A 91 68.024 30.407 17.698 1.00 0.00 C ATOM 1472 CG ARG A 91 67.774 31.635 18.558 1.00 0.00 C ATOM 1473 CD ARG A 91 66.931 32.666 17.824 1.00 0.00 C ATOM 1474 NE ARG A 91 65.757 32.066 17.196 1.00 0.00 N ATOM 1475 CZ ARG A 91 64.982 32.704 16.326 1.00 0.00 C ATOM 1476 NH1 ARG A 91 65.257 33.955 15.981 1.00 0.00 N ATOM 1477 NH2 ARG A 91 63.931 32.091 15.798 1.00 0.00 N ATOM 0 H ARG A 91 67.337 28.960 19.570 1.00 0.00 H new ATOM 0 HA ARG A 91 69.258 28.650 17.593 1.00 0.00 H new ATOM 0 HB2 ARG A 91 68.434 30.723 16.739 1.00 0.00 H new ATOM 0 HB3 ARG A 91 67.072 29.918 17.492 1.00 0.00 H new ATOM 0 HG2 ARG A 91 67.270 31.340 19.478 1.00 0.00 H new ATOM 0 HG3 ARG A 91 68.727 32.080 18.845 1.00 0.00 H new ATOM 0 HD2 ARG A 91 66.613 33.439 18.524 1.00 0.00 H new ATOM 0 HD3 ARG A 91 67.539 33.156 17.063 1.00 0.00 H new ATOM 0 HE ARG A 91 65.519 31.104 17.439 1.00 0.00 H new ATOM 0 HH11 ARG A 91 66.065 34.429 16.384 1.00 0.00 H new ATOM 0 HH12 ARG A 91 64.660 34.443 15.313 1.00 0.00 H new ATOM 0 HH21 ARG A 91 63.717 31.129 16.060 1.00 0.00 H new ATOM 0 HH22 ARG A 91 63.337 32.582 15.130 1.00 0.00 H new ATOM 1491 N ARG A 92 70.259 30.461 20.099 1.00 0.00 N ATOM 1492 CA ARG A 92 71.406 31.145 20.683 1.00 0.00 C ATOM 1493 C ARG A 92 72.693 30.367 20.423 1.00 0.00 C ATOM 1494 O ARG A 92 72.969 29.367 21.083 1.00 0.00 O ATOM 1495 CB ARG A 92 71.205 31.330 22.188 1.00 0.00 C ATOM 1496 CG ARG A 92 72.370 32.020 22.878 1.00 0.00 C ATOM 1497 CD ARG A 92 71.986 32.507 24.267 1.00 0.00 C ATOM 1498 NE ARG A 92 72.088 31.446 25.266 1.00 0.00 N ATOM 1499 CZ ARG A 92 71.982 31.655 26.573 1.00 0.00 C ATOM 1500 NH1 ARG A 92 71.773 32.879 27.037 1.00 0.00 N ATOM 1501 NH2 ARG A 92 72.086 30.638 27.419 1.00 0.00 N ATOM 0 H ARG A 92 69.493 30.290 20.751 1.00 0.00 H new ATOM 0 HA ARG A 92 71.492 32.124 20.212 1.00 0.00 H new ATOM 0 HB2 ARG A 92 70.298 31.911 22.356 1.00 0.00 H new ATOM 0 HB3 ARG A 92 71.048 30.354 22.648 1.00 0.00 H new ATOM 0 HG2 ARG A 92 73.210 31.330 22.953 1.00 0.00 H new ATOM 0 HG3 ARG A 92 72.703 32.864 22.275 1.00 0.00 H new ATOM 0 HD2 ARG A 92 72.633 33.337 24.552 1.00 0.00 H new ATOM 0 HD3 ARG A 92 70.966 32.890 24.248 1.00 0.00 H new ATOM 0 HE ARG A 92 72.249 30.492 24.942 1.00 0.00 H new ATOM 0 HH11 ARG A 92 71.693 33.663 26.390 1.00 0.00 H new ATOM 0 HH12 ARG A 92 71.692 33.037 28.041 1.00 0.00 H new ATOM 0 HH21 ARG A 92 72.247 29.695 27.065 1.00 0.00 H new ATOM 0 HH22 ARG A 92 72.004 30.799 28.423 1.00 0.00 H new ATOM 1515 N GLY A 93 73.476 30.835 19.456 1.00 0.00 N ATOM 1516 CA GLY A 93 74.724 30.171 19.125 1.00 0.00 C ATOM 1517 C GLY A 93 75.901 31.125 19.108 1.00 0.00 C ATOM 1518 O GLY A 93 76.423 31.497 20.159 1.00 0.00 O ATOM 0 H GLY A 93 73.269 31.662 18.896 1.00 0.00 H new ATOM 0 HA2 GLY A 93 74.913 29.378 19.849 1.00 0.00 H new ATOM 0 HA3 GLY A 93 74.631 29.696 18.148 1.00 0.00 H new ATOM 1522 N ALA A 94 76.322 31.522 17.912 1.00 0.00 N ATOM 1523 CA ALA A 94 77.446 32.439 17.763 1.00 0.00 C ATOM 1524 C ALA A 94 76.963 33.871 17.564 1.00 0.00 C ATOM 1525 O ALA A 94 75.817 34.119 17.188 1.00 0.00 O ATOM 1526 CB ALA A 94 78.325 32.010 16.597 1.00 0.00 C ATOM 0 H ALA A 94 75.902 31.223 17.032 1.00 0.00 H new ATOM 0 HA ALA A 94 78.035 32.406 18.680 1.00 0.00 H new ATOM 0 HB1 ALA A 94 79.160 32.703 16.497 1.00 0.00 H new ATOM 0 HB2 ALA A 94 78.707 31.005 16.779 1.00 0.00 H new ATOM 0 HB3 ALA A 94 77.738 32.014 15.678 1.00 0.00 H new ATOM 1532 N PRO A 95 77.855 34.839 17.824 1.00 0.00 N ATOM 1533 CA PRO A 95 77.541 36.264 17.681 1.00 0.00 C ATOM 1534 C PRO A 95 77.371 36.676 16.223 1.00 0.00 C ATOM 1535 O PRO A 95 78.299 37.194 15.602 1.00 0.00 O ATOM 1536 CB PRO A 95 78.760 36.958 18.295 1.00 0.00 C ATOM 1537 CG PRO A 95 79.870 35.975 18.149 1.00 0.00 C ATOM 1538 CD PRO A 95 79.238 34.616 18.276 1.00 0.00 C ATOM 0 HA PRO A 95 76.598 36.525 18.161 1.00 0.00 H new ATOM 0 HB2 PRO A 95 78.987 37.890 17.778 1.00 0.00 H new ATOM 0 HB3 PRO A 95 78.588 37.208 19.342 1.00 0.00 H new ATOM 0 HG2 PRO A 95 80.366 36.086 17.185 1.00 0.00 H new ATOM 0 HG3 PRO A 95 80.629 36.126 18.917 1.00 0.00 H new ATOM 0 HD2 PRO A 95 79.748 33.876 17.659 1.00 0.00 H new ATOM 0 HD3 PRO A 95 79.271 34.252 19.303 1.00 0.00 H new ATOM 1546 N VAL A 96 76.179 36.444 15.682 1.00 0.00 N ATOM 1547 CA VAL A 96 75.887 36.794 14.297 1.00 0.00 C ATOM 1548 C VAL A 96 74.759 37.816 14.215 1.00 0.00 C ATOM 1549 O VAL A 96 73.921 37.926 15.109 1.00 0.00 O ATOM 1550 CB VAL A 96 75.500 35.551 13.475 1.00 0.00 C ATOM 1551 CG1 VAL A 96 76.733 34.723 13.145 1.00 0.00 C ATOM 1552 CG2 VAL A 96 74.472 34.716 14.223 1.00 0.00 C ATOM 0 H VAL A 96 75.400 36.015 16.182 1.00 0.00 H new ATOM 0 HA VAL A 96 76.796 37.227 13.881 1.00 0.00 H new ATOM 0 HB VAL A 96 75.053 35.882 12.538 1.00 0.00 H new ATOM 0 HG11 VAL A 96 76.439 33.849 12.564 1.00 0.00 H new ATOM 0 HG12 VAL A 96 77.432 35.326 12.565 1.00 0.00 H new ATOM 0 HG13 VAL A 96 77.212 34.400 14.069 1.00 0.00 H new ATOM 0 HG21 VAL A 96 74.210 33.842 13.627 1.00 0.00 H new ATOM 0 HG22 VAL A 96 74.890 34.393 15.177 1.00 0.00 H new ATOM 0 HG23 VAL A 96 73.578 35.314 14.402 1.00 0.00 H new ATOM 1562 N PRO A 97 74.735 38.583 13.115 1.00 0.00 N ATOM 1563 CA PRO A 97 73.714 39.610 12.888 1.00 0.00 C ATOM 1564 C PRO A 97 72.339 39.010 12.618 1.00 0.00 C ATOM 1565 O PRO A 97 72.223 37.958 11.990 1.00 0.00 O ATOM 1566 CB PRO A 97 74.226 40.352 11.651 1.00 0.00 C ATOM 1567 CG PRO A 97 75.077 39.358 10.938 1.00 0.00 C ATOM 1568 CD PRO A 97 75.703 38.507 12.008 1.00 0.00 C ATOM 0 HA PRO A 97 73.579 40.250 13.760 1.00 0.00 H new ATOM 0 HB2 PRO A 97 73.402 40.690 11.023 1.00 0.00 H new ATOM 0 HB3 PRO A 97 74.799 41.237 11.929 1.00 0.00 H new ATOM 0 HG2 PRO A 97 74.481 38.752 10.256 1.00 0.00 H new ATOM 0 HG3 PRO A 97 75.840 39.855 10.339 1.00 0.00 H new ATOM 0 HD2 PRO A 97 75.848 37.481 11.671 1.00 0.00 H new ATOM 0 HD3 PRO A 97 76.681 38.887 12.303 1.00 0.00 H new ATOM 1576 N GLN A 98 71.299 39.687 13.096 1.00 0.00 N ATOM 1577 CA GLN A 98 69.931 39.219 12.905 1.00 0.00 C ATOM 1578 C GLN A 98 69.566 39.192 11.425 1.00 0.00 C ATOM 1579 O GLN A 98 68.778 38.355 10.986 1.00 0.00 O ATOM 1580 CB GLN A 98 68.953 40.114 13.667 1.00 0.00 C ATOM 1581 CG GLN A 98 68.940 41.554 13.180 1.00 0.00 C ATOM 1582 CD GLN A 98 68.527 42.532 14.262 1.00 0.00 C ATOM 1583 OE1 GLN A 98 68.996 42.454 15.398 1.00 0.00 O ATOM 1584 NE2 GLN A 98 67.644 43.462 13.915 1.00 0.00 N ATOM 0 H GLN A 98 71.378 40.560 13.618 1.00 0.00 H new ATOM 0 HA GLN A 98 69.864 38.203 13.295 1.00 0.00 H new ATOM 0 HB2 GLN A 98 67.949 39.700 13.577 1.00 0.00 H new ATOM 0 HB3 GLN A 98 69.210 40.100 14.726 1.00 0.00 H new ATOM 0 HG2 GLN A 98 69.932 41.819 12.815 1.00 0.00 H new ATOM 0 HG3 GLN A 98 68.256 41.642 12.336 1.00 0.00 H new ATOM 0 HE21 GLN A 98 67.281 43.490 12.962 1.00 0.00 H new ATOM 0 HE22 GLN A 98 67.329 44.148 14.601 1.00 0.00 H new ATOM 1593 N GLU A 99 70.145 40.113 10.661 1.00 0.00 N ATOM 1594 CA GLU A 99 69.878 40.194 9.229 1.00 0.00 C ATOM 1595 C GLU A 99 70.168 38.861 8.545 1.00 0.00 C ATOM 1596 O GLU A 99 69.482 38.475 7.598 1.00 0.00 O ATOM 1597 CB GLU A 99 70.723 41.300 8.593 1.00 0.00 C ATOM 1598 CG GLU A 99 72.210 40.991 8.565 1.00 0.00 C ATOM 1599 CD GLU A 99 73.067 42.220 8.796 1.00 0.00 C ATOM 1600 OE1 GLU A 99 72.539 43.344 8.667 1.00 0.00 O ATOM 1601 OE2 GLU A 99 74.265 42.058 9.107 1.00 0.00 O ATOM 0 H GLU A 99 70.801 40.813 11.009 1.00 0.00 H new ATOM 0 HA GLU A 99 68.822 40.429 9.095 1.00 0.00 H new ATOM 0 HB2 GLU A 99 70.377 41.469 7.573 1.00 0.00 H new ATOM 0 HB3 GLU A 99 70.564 42.228 9.142 1.00 0.00 H new ATOM 0 HG2 GLU A 99 72.437 40.246 9.328 1.00 0.00 H new ATOM 0 HG3 GLU A 99 72.467 40.549 7.602 1.00 0.00 H new ATOM 1608 N LEU A 100 71.188 38.163 9.032 1.00 0.00 N ATOM 1609 CA LEU A 100 71.569 36.872 8.469 1.00 0.00 C ATOM 1610 C LEU A 100 70.428 35.867 8.589 1.00 0.00 C ATOM 1611 O LEU A 100 70.158 35.105 7.659 1.00 0.00 O ATOM 1612 CB LEU A 100 72.815 36.334 9.174 1.00 0.00 C ATOM 1613 CG LEU A 100 74.131 36.465 8.406 1.00 0.00 C ATOM 1614 CD1 LEU A 100 74.293 37.876 7.862 1.00 0.00 C ATOM 1615 CD2 LEU A 100 75.308 36.096 9.297 1.00 0.00 C ATOM 0 H LEU A 100 71.766 38.469 9.815 1.00 0.00 H new ATOM 0 HA LEU A 100 71.791 37.016 7.412 1.00 0.00 H new ATOM 0 HB2 LEU A 100 72.921 36.852 10.127 1.00 0.00 H new ATOM 0 HB3 LEU A 100 72.653 35.280 9.400 1.00 0.00 H new ATOM 0 HG LEU A 100 74.108 35.773 7.564 1.00 0.00 H new ATOM 0 HD11 LEU A 100 75.235 37.951 7.319 1.00 0.00 H new ATOM 0 HD12 LEU A 100 73.467 38.103 7.189 1.00 0.00 H new ATOM 0 HD13 LEU A 100 74.294 38.587 8.688 1.00 0.00 H new ATOM 0 HD21 LEU A 100 76.236 36.195 8.734 1.00 0.00 H new ATOM 0 HD22 LEU A 100 75.334 36.762 10.159 1.00 0.00 H new ATOM 0 HD23 LEU A 100 75.198 35.066 9.637 1.00 0.00 H new ATOM 1627 N LEU A 101 69.761 35.872 9.737 1.00 0.00 N ATOM 1628 CA LEU A 101 68.647 34.961 9.979 1.00 0.00 C ATOM 1629 C LEU A 101 67.400 35.415 9.226 1.00 0.00 C ATOM 1630 O LEU A 101 66.534 34.605 8.894 1.00 0.00 O ATOM 1631 CB LEU A 101 68.349 34.874 11.476 1.00 0.00 C ATOM 1632 CG LEU A 101 69.513 34.440 12.368 1.00 0.00 C ATOM 1633 CD1 LEU A 101 70.518 33.621 11.573 1.00 0.00 C ATOM 1634 CD2 LEU A 101 70.186 35.652 12.995 1.00 0.00 C ATOM 0 H LEU A 101 69.972 36.497 10.515 1.00 0.00 H new ATOM 0 HA LEU A 101 68.931 33.974 9.614 1.00 0.00 H new ATOM 0 HB2 LEU A 101 68.003 35.850 11.814 1.00 0.00 H new ATOM 0 HB3 LEU A 101 67.525 34.175 11.622 1.00 0.00 H new ATOM 0 HG LEU A 101 69.118 33.815 13.169 1.00 0.00 H new ATOM 0 HD11 LEU A 101 71.339 33.321 12.224 1.00 0.00 H new ATOM 0 HD12 LEU A 101 70.029 32.733 11.173 1.00 0.00 H new ATOM 0 HD13 LEU A 101 70.908 34.221 10.751 1.00 0.00 H new ATOM 0 HD21 LEU A 101 71.012 35.324 13.626 1.00 0.00 H new ATOM 0 HD22 LEU A 101 70.567 36.304 12.209 1.00 0.00 H new ATOM 0 HD23 LEU A 101 69.462 36.198 13.600 1.00 0.00 H new ATOM 1646 N ASP A 102 67.317 36.714 8.959 1.00 0.00 N ATOM 1647 CA ASP A 102 66.178 37.275 8.242 1.00 0.00 C ATOM 1648 C ASP A 102 66.260 36.952 6.753 1.00 0.00 C ATOM 1649 O ASP A 102 65.246 36.673 6.112 1.00 0.00 O ATOM 1650 CB ASP A 102 66.117 38.790 8.445 1.00 0.00 C ATOM 1651 CG ASP A 102 64.956 39.427 7.707 1.00 0.00 C ATOM 1652 OD1 ASP A 102 65.133 39.792 6.526 1.00 0.00 O ATOM 1653 OD2 ASP A 102 63.870 39.561 8.310 1.00 0.00 O ATOM 0 H ASP A 102 68.024 37.398 9.228 1.00 0.00 H new ATOM 0 HA ASP A 102 65.270 36.825 8.643 1.00 0.00 H new ATOM 0 HB2 ASP A 102 66.030 39.008 9.510 1.00 0.00 H new ATOM 0 HB3 ASP A 102 67.050 39.237 8.103 1.00 0.00 H new ATOM 1658 N ARG A 103 67.472 36.993 6.210 1.00 0.00 N ATOM 1659 CA ARG A 103 67.685 36.707 4.796 1.00 0.00 C ATOM 1660 C ARG A 103 67.538 35.215 4.515 1.00 0.00 C ATOM 1661 O ARG A 103 66.893 34.816 3.545 1.00 0.00 O ATOM 1662 CB ARG A 103 69.072 37.185 4.361 1.00 0.00 C ATOM 1663 CG ARG A 103 70.207 36.577 5.170 1.00 0.00 C ATOM 1664 CD ARG A 103 71.554 37.147 4.755 1.00 0.00 C ATOM 1665 NE ARG A 103 71.996 36.625 3.465 1.00 0.00 N ATOM 1666 CZ ARG A 103 71.715 37.204 2.303 1.00 0.00 C ATOM 1667 NH1 ARG A 103 70.998 38.319 2.270 1.00 0.00 N ATOM 1668 NH2 ARG A 103 72.153 36.669 1.171 1.00 0.00 N ATOM 0 H ARG A 103 68.321 37.221 6.727 1.00 0.00 H new ATOM 0 HA ARG A 103 66.927 37.243 4.224 1.00 0.00 H new ATOM 0 HB2 ARG A 103 69.217 36.943 3.308 1.00 0.00 H new ATOM 0 HB3 ARG A 103 69.117 38.271 4.447 1.00 0.00 H new ATOM 0 HG2 ARG A 103 70.042 36.767 6.231 1.00 0.00 H new ATOM 0 HG3 ARG A 103 70.212 35.495 5.036 1.00 0.00 H new ATOM 0 HD2 ARG A 103 71.487 38.234 4.702 1.00 0.00 H new ATOM 0 HD3 ARG A 103 72.298 36.910 5.516 1.00 0.00 H new ATOM 0 HE ARG A 103 72.551 35.769 3.456 1.00 0.00 H new ATOM 0 HH11 ARG A 103 70.661 38.734 3.138 1.00 0.00 H new ATOM 0 HH12 ARG A 103 70.784 38.761 1.376 1.00 0.00 H new ATOM 0 HH21 ARG A 103 72.706 35.812 1.192 1.00 0.00 H new ATOM 0 HH22 ARG A 103 71.937 37.114 0.279 1.00 0.00 H new ATOM 1682 N VAL A 104 68.140 34.394 5.370 1.00 0.00 N ATOM 1683 CA VAL A 104 68.075 32.946 5.214 1.00 0.00 C ATOM 1684 C VAL A 104 66.644 32.441 5.360 1.00 0.00 C ATOM 1685 O VAL A 104 66.205 31.563 4.617 1.00 0.00 O ATOM 1686 CB VAL A 104 68.968 32.231 6.245 1.00 0.00 C ATOM 1687 CG1 VAL A 104 70.420 32.655 6.080 1.00 0.00 C ATOM 1688 CG2 VAL A 104 68.480 32.511 7.658 1.00 0.00 C ATOM 0 H VAL A 104 68.678 34.707 6.178 1.00 0.00 H new ATOM 0 HA VAL A 104 68.436 32.719 4.211 1.00 0.00 H new ATOM 0 HB VAL A 104 68.906 31.157 6.070 1.00 0.00 H new ATOM 0 HG11 VAL A 104 71.036 32.139 6.817 1.00 0.00 H new ATOM 0 HG12 VAL A 104 70.762 32.398 5.078 1.00 0.00 H new ATOM 0 HG13 VAL A 104 70.504 33.732 6.227 1.00 0.00 H new ATOM 0 HG21 VAL A 104 69.123 31.998 8.373 1.00 0.00 H new ATOM 0 HG22 VAL A 104 68.510 33.584 7.847 1.00 0.00 H new ATOM 0 HG23 VAL A 104 67.457 32.152 7.767 1.00 0.00 H new ATOM 1698 N LEU A 105 65.920 33.002 6.323 1.00 0.00 N ATOM 1699 CA LEU A 105 64.537 32.609 6.567 1.00 0.00 C ATOM 1700 C LEU A 105 63.643 33.006 5.396 1.00 0.00 C ATOM 1701 O LEU A 105 62.916 32.178 4.849 1.00 0.00 O ATOM 1702 CB LEU A 105 64.023 33.252 7.856 1.00 0.00 C ATOM 1703 CG LEU A 105 64.442 32.572 9.159 1.00 0.00 C ATOM 1704 CD1 LEU A 105 63.881 33.321 10.357 1.00 0.00 C ATOM 1705 CD2 LEU A 105 63.985 31.120 9.174 1.00 0.00 C ATOM 0 H LEU A 105 66.268 33.730 6.947 1.00 0.00 H new ATOM 0 HA LEU A 105 64.507 31.524 6.672 1.00 0.00 H new ATOM 0 HB2 LEU A 105 64.365 34.287 7.883 1.00 0.00 H new ATOM 0 HB3 LEU A 105 62.934 33.277 7.817 1.00 0.00 H new ATOM 0 HG LEU A 105 65.530 32.591 9.222 1.00 0.00 H new ATOM 0 HD11 LEU A 105 64.190 32.822 11.275 1.00 0.00 H new ATOM 0 HD12 LEU A 105 64.258 34.344 10.356 1.00 0.00 H new ATOM 0 HD13 LEU A 105 62.793 33.335 10.300 1.00 0.00 H new ATOM 0 HD21 LEU A 105 64.292 30.652 10.109 1.00 0.00 H new ATOM 0 HD22 LEU A 105 62.899 31.079 9.087 1.00 0.00 H new ATOM 0 HD23 LEU A 105 64.436 30.588 8.336 1.00 0.00 H new ATOM 1717 N ALA A 106 63.706 34.278 5.015 1.00 0.00 N ATOM 1718 CA ALA A 106 62.906 34.783 3.906 1.00 0.00 C ATOM 1719 C ALA A 106 63.109 33.939 2.653 1.00 0.00 C ATOM 1720 O ALA A 106 62.155 33.630 1.940 1.00 0.00 O ATOM 1721 CB ALA A 106 63.252 36.238 3.626 1.00 0.00 C ATOM 0 H ALA A 106 64.302 34.977 5.458 1.00 0.00 H new ATOM 0 HA ALA A 106 61.855 34.718 4.189 1.00 0.00 H new ATOM 0 HB1 ALA A 106 62.647 36.602 2.796 1.00 0.00 H new ATOM 0 HB2 ALA A 106 63.049 36.838 4.513 1.00 0.00 H new ATOM 0 HB3 ALA A 106 64.308 36.318 3.368 1.00 0.00 H new ATOM 1727 N ALA A 107 64.358 33.569 2.390 1.00 0.00 N ATOM 1728 CA ALA A 107 64.686 32.759 1.223 1.00 0.00 C ATOM 1729 C ALA A 107 64.085 31.362 1.339 1.00 0.00 C ATOM 1730 O ALA A 107 63.584 30.810 0.360 1.00 0.00 O ATOM 1731 CB ALA A 107 66.194 32.673 1.047 1.00 0.00 C ATOM 0 H ALA A 107 65.160 33.817 2.970 1.00 0.00 H new ATOM 0 HA ALA A 107 64.256 33.240 0.345 1.00 0.00 H new ATOM 0 HB1 ALA A 107 66.424 32.065 0.172 1.00 0.00 H new ATOM 0 HB2 ALA A 107 66.602 33.674 0.911 1.00 0.00 H new ATOM 0 HB3 ALA A 107 66.638 32.218 1.932 1.00 0.00 H new ATOM 1737 N GLN A 108 64.139 30.797 2.540 1.00 0.00 N ATOM 1738 CA GLN A 108 63.601 29.463 2.782 1.00 0.00 C ATOM 1739 C GLN A 108 62.147 29.373 2.330 1.00 0.00 C ATOM 1740 O GLN A 108 61.763 28.440 1.626 1.00 0.00 O ATOM 1741 CB GLN A 108 63.710 29.107 4.266 1.00 0.00 C ATOM 1742 CG GLN A 108 63.428 27.643 4.562 1.00 0.00 C ATOM 1743 CD GLN A 108 64.302 26.705 3.754 1.00 0.00 C ATOM 1744 OE1 GLN A 108 65.523 26.683 3.913 1.00 0.00 O ATOM 1745 NE2 GLN A 108 63.681 25.923 2.878 1.00 0.00 N ATOM 0 H GLN A 108 64.550 31.242 3.361 1.00 0.00 H new ATOM 0 HA GLN A 108 64.188 28.751 2.202 1.00 0.00 H new ATOM 0 HB2 GLN A 108 64.712 29.354 4.618 1.00 0.00 H new ATOM 0 HB3 GLN A 108 63.012 29.725 4.832 1.00 0.00 H new ATOM 0 HG2 GLN A 108 63.584 27.454 5.624 1.00 0.00 H new ATOM 0 HG3 GLN A 108 62.380 27.429 4.351 1.00 0.00 H new ATOM 0 HE21 GLN A 108 62.667 25.973 2.778 1.00 0.00 H new ATOM 0 HE22 GLN A 108 64.218 25.272 2.305 1.00 0.00 H new ATOM 1754 N ALA A 109 61.344 30.349 2.740 1.00 0.00 N ATOM 1755 CA ALA A 109 59.933 30.380 2.377 1.00 0.00 C ATOM 1756 C ALA A 109 59.749 30.814 0.926 1.00 0.00 C ATOM 1757 O ALA A 109 58.775 30.436 0.274 1.00 0.00 O ATOM 1758 CB ALA A 109 59.168 31.309 3.308 1.00 0.00 C ATOM 0 H ALA A 109 61.647 31.129 3.324 1.00 0.00 H new ATOM 0 HA ALA A 109 59.535 29.371 2.481 1.00 0.00 H new ATOM 0 HB1 ALA A 109 58.116 31.322 3.025 1.00 0.00 H new ATOM 0 HB2 ALA A 109 59.263 30.955 4.334 1.00 0.00 H new ATOM 0 HB3 ALA A 109 59.577 32.317 3.233 1.00 0.00 H new ATOM 1764 N TYR A 110 60.690 31.608 0.428 1.00 0.00 N ATOM 1765 CA TYR A 110 60.630 32.095 -0.945 1.00 0.00 C ATOM 1766 C TYR A 110 60.632 30.935 -1.936 1.00 0.00 C ATOM 1767 O TYR A 110 59.859 30.922 -2.894 1.00 0.00 O ATOM 1768 CB TYR A 110 61.810 33.026 -1.230 1.00 0.00 C ATOM 1769 CG TYR A 110 61.573 33.966 -2.390 1.00 0.00 C ATOM 1770 CD1 TYR A 110 60.649 34.999 -2.295 1.00 0.00 C ATOM 1771 CD2 TYR A 110 62.273 33.821 -3.582 1.00 0.00 C ATOM 1772 CE1 TYR A 110 60.429 35.861 -3.352 1.00 0.00 C ATOM 1773 CE2 TYR A 110 62.060 34.679 -4.644 1.00 0.00 C ATOM 1774 CZ TYR A 110 61.137 35.697 -4.524 1.00 0.00 C ATOM 1775 OH TYR A 110 60.921 36.552 -5.580 1.00 0.00 O ATOM 0 H TYR A 110 61.503 31.928 0.954 1.00 0.00 H new ATOM 0 HA TYR A 110 59.700 32.650 -1.066 1.00 0.00 H new ATOM 0 HB2 TYR A 110 62.024 33.612 -0.336 1.00 0.00 H new ATOM 0 HB3 TYR A 110 62.695 32.424 -1.436 1.00 0.00 H new ATOM 0 HD1 TYR A 110 60.093 35.131 -1.379 1.00 0.00 H new ATOM 0 HD2 TYR A 110 62.996 33.024 -3.680 1.00 0.00 H new ATOM 0 HE1 TYR A 110 59.707 36.659 -3.261 1.00 0.00 H new ATOM 0 HE2 TYR A 110 62.613 34.553 -5.563 1.00 0.00 H new ATOM 0 HH TYR A 110 61.501 36.300 -6.329 1.00 0.00 H new ATOM 1785 N TRP A 111 61.505 29.963 -1.697 1.00 0.00 N ATOM 1786 CA TRP A 111 61.608 28.797 -2.567 1.00 0.00 C ATOM 1787 C TRP A 111 60.364 27.922 -2.454 1.00 0.00 C ATOM 1788 O TRP A 111 60.084 27.109 -3.335 1.00 0.00 O ATOM 1789 CB TRP A 111 62.854 27.982 -2.217 1.00 0.00 C ATOM 1790 CG TRP A 111 64.076 28.825 -2.009 1.00 0.00 C ATOM 1791 CD1 TRP A 111 64.483 29.880 -2.774 1.00 0.00 C ATOM 1792 CD2 TRP A 111 65.049 28.681 -0.969 1.00 0.00 C ATOM 1793 NE1 TRP A 111 65.651 30.401 -2.272 1.00 0.00 N ATOM 1794 CE2 TRP A 111 66.019 29.684 -1.164 1.00 0.00 C ATOM 1795 CE3 TRP A 111 65.195 27.804 0.109 1.00 0.00 C ATOM 1796 CZ2 TRP A 111 67.117 29.831 -0.322 1.00 0.00 C ATOM 1797 CZ3 TRP A 111 66.286 27.951 0.944 1.00 0.00 C ATOM 1798 CH2 TRP A 111 67.235 28.958 0.726 1.00 0.00 C ATOM 0 H TRP A 111 62.152 29.959 -0.908 1.00 0.00 H new ATOM 0 HA TRP A 111 61.690 29.148 -3.596 1.00 0.00 H new ATOM 0 HB2 TRP A 111 62.660 27.406 -1.312 1.00 0.00 H new ATOM 0 HB3 TRP A 111 63.047 27.266 -3.016 1.00 0.00 H new ATOM 0 HD1 TRP A 111 63.963 30.250 -3.645 1.00 0.00 H new ATOM 0 HE1 TRP A 111 66.162 31.194 -2.661 1.00 0.00 H new ATOM 0 HE3 TRP A 111 64.468 27.025 0.286 1.00 0.00 H new ATOM 0 HZ2 TRP A 111 67.850 30.606 -0.489 1.00 0.00 H new ATOM 0 HZ3 TRP A 111 66.409 27.278 1.779 1.00 0.00 H new ATOM 0 HH2 TRP A 111 68.076 29.047 1.398 1.00 0.00 H new ATOM 1809 N SER A 112 59.622 28.094 -1.365 1.00 0.00 N ATOM 1810 CA SER A 112 58.410 27.317 -1.135 1.00 0.00 C ATOM 1811 C SER A 112 57.398 27.546 -2.254 1.00 0.00 C ATOM 1812 O SER A 112 56.855 28.641 -2.400 1.00 0.00 O ATOM 1813 CB SER A 112 57.789 27.686 0.213 1.00 0.00 C ATOM 1814 OG SER A 112 57.096 26.585 0.774 1.00 0.00 O ATOM 0 H SER A 112 59.839 28.765 -0.628 1.00 0.00 H new ATOM 0 HA SER A 112 58.682 26.261 -1.124 1.00 0.00 H new ATOM 0 HB2 SER A 112 58.570 28.016 0.898 1.00 0.00 H new ATOM 0 HB3 SER A 112 57.104 28.524 0.084 1.00 0.00 H new ATOM 0 HG SER A 112 56.710 26.846 1.636 1.00 0.00 H new