USER MOD reduce.3.24.130724 H: found=0, std=0, add=616, rem=0, adj=10 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 USER MOD Single : A 48 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 51 THR OG1 : rot -51:sc= 0.57 USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 THR OG1 : rot 180:sc= -0.441 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+ -161:sc= 0.212 (180deg=0.114) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 THR OG1 : rot 59:sc= 1.26 USER MOD Single : A 82 HIS : no HD1:sc= 0 K(o=0,f=-0.56) USER MOD Single : A 83 THR OG1 : rot 71:sc= 0.0998 USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 89 GLN : amide:sc=-0.00453 K(o=-0.0045,f=-1) USER MOD Single : A 90 GLN : amide:sc= -0.0111 X(o=-0.011,f=-0.011) USER MOD Single : A 98 GLN : amide:sc= -0.0257 K(o=-0.026,f=-1.2!) USER MOD Single : A 108 GLN : amide:sc= -2.09 K(o=-2.1,f=-1.5!) 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 81.729 31.275 11.098 1.00 0.00 N ATOM 527 CA PHE A 34 81.700 31.998 9.832 1.00 0.00 C ATOM 528 C PHE A 34 81.503 33.493 10.063 1.00 0.00 C ATOM 529 O PHE A 34 81.094 33.918 11.144 1.00 0.00 O ATOM 530 CB PHE A 34 80.582 31.457 8.937 1.00 0.00 C ATOM 531 CG PHE A 34 79.362 31.024 9.699 1.00 0.00 C ATOM 532 CD1 PHE A 34 78.722 31.897 10.563 1.00 0.00 C ATOM 533 CD2 PHE A 34 78.856 29.743 9.551 1.00 0.00 C ATOM 534 CE1 PHE A 34 77.599 31.502 11.265 1.00 0.00 C ATOM 535 CE2 PHE A 34 77.733 29.342 10.250 1.00 0.00 C ATOM 536 CZ PHE A 34 77.104 30.222 11.109 1.00 0.00 C ATOM 0 HA PHE A 34 82.659 31.849 9.335 1.00 0.00 H new ATOM 0 HB2 PHE A 34 80.298 32.226 8.219 1.00 0.00 H new ATOM 0 HB3 PHE A 34 80.963 30.611 8.365 1.00 0.00 H new ATOM 0 HD1 PHE A 34 79.105 32.899 10.690 1.00 0.00 H new ATOM 0 HD2 PHE A 34 79.344 29.050 8.882 1.00 0.00 H new ATOM 0 HE1 PHE A 34 77.109 32.193 11.935 1.00 0.00 H new ATOM 0 HE2 PHE A 34 77.347 28.341 10.125 1.00 0.00 H new ATOM 0 HZ PHE A 34 76.227 29.910 11.657 1.00 0.00 H new ATOM 546 N THR A 35 81.798 34.288 9.039 1.00 0.00 N ATOM 547 CA THR A 35 81.656 35.736 9.129 1.00 0.00 C ATOM 548 C THR A 35 80.432 36.218 8.359 1.00 0.00 C ATOM 549 O THR A 35 79.947 35.537 7.455 1.00 0.00 O ATOM 550 CB THR A 35 82.905 36.457 8.589 1.00 0.00 C ATOM 551 OG1 THR A 35 84.090 35.787 9.034 1.00 0.00 O ATOM 552 CG2 THR A 35 82.934 37.907 9.050 1.00 0.00 C ATOM 0 H THR A 35 82.137 33.953 8.137 1.00 0.00 H new ATOM 0 HA THR A 35 81.535 35.976 10.185 1.00 0.00 H new ATOM 0 HB THR A 35 82.865 36.438 7.500 1.00 0.00 H new ATOM 0 HG1 THR A 35 84.879 36.251 8.684 1.00 0.00 H new ATOM 0 HG21 THR A 35 83.825 38.396 8.656 1.00 0.00 H new ATOM 0 HG22 THR A 35 82.046 38.423 8.685 1.00 0.00 H new ATOM 0 HG23 THR A 35 82.952 37.942 10.139 1.00 0.00 H new ATOM 560 N VAL A 36 79.936 37.396 8.722 1.00 0.00 N ATOM 561 CA VAL A 36 78.769 37.970 8.064 1.00 0.00 C ATOM 562 C VAL A 36 78.954 38.006 6.551 1.00 0.00 C ATOM 563 O VAL A 36 78.012 37.767 5.795 1.00 0.00 O ATOM 564 CB VAL A 36 78.485 39.397 8.569 1.00 0.00 C ATOM 565 CG1 VAL A 36 79.712 40.280 8.396 1.00 0.00 C ATOM 566 CG2 VAL A 36 77.286 39.990 7.844 1.00 0.00 C ATOM 0 H VAL A 36 80.325 37.972 9.469 1.00 0.00 H new ATOM 0 HA VAL A 36 77.921 37.330 8.309 1.00 0.00 H new ATOM 0 HB VAL A 36 78.250 39.347 9.632 1.00 0.00 H new ATOM 0 HG11 VAL A 36 79.492 41.284 8.758 1.00 0.00 H new ATOM 0 HG12 VAL A 36 80.543 39.863 8.965 1.00 0.00 H new ATOM 0 HG13 VAL A 36 79.981 40.326 7.341 1.00 0.00 H new ATOM 0 HG21 VAL A 36 77.100 40.998 8.213 1.00 0.00 H new ATOM 0 HG22 VAL A 36 77.490 40.027 6.774 1.00 0.00 H new ATOM 0 HG23 VAL A 36 76.408 39.370 8.025 1.00 0.00 H new ATOM 576 N ALA A 37 80.173 38.304 6.116 1.00 0.00 N ATOM 577 CA ALA A 37 80.483 38.369 4.693 1.00 0.00 C ATOM 578 C ALA A 37 80.400 36.988 4.050 1.00 0.00 C ATOM 579 O ALA A 37 79.769 36.816 3.008 1.00 0.00 O ATOM 580 CB ALA A 37 81.864 38.971 4.480 1.00 0.00 C ATOM 0 H ALA A 37 80.963 38.505 6.729 1.00 0.00 H new ATOM 0 HA ALA A 37 79.743 39.009 4.214 1.00 0.00 H new ATOM 0 HB1 ALA A 37 82.082 39.013 3.413 1.00 0.00 H new ATOM 0 HB2 ALA A 37 81.890 39.978 4.896 1.00 0.00 H new ATOM 0 HB3 ALA A 37 82.611 38.353 4.979 1.00 0.00 H new ATOM 586 N GLU A 38 81.042 36.009 4.679 1.00 0.00 N ATOM 587 CA GLU A 38 81.042 34.644 4.166 1.00 0.00 C ATOM 588 C GLU A 38 79.625 34.076 4.131 1.00 0.00 C ATOM 589 O GLU A 38 79.191 33.524 3.120 1.00 0.00 O ATOM 590 CB GLU A 38 81.939 33.751 5.026 1.00 0.00 C ATOM 591 CG GLU A 38 83.415 34.098 4.927 1.00 0.00 C ATOM 592 CD GLU A 38 84.312 32.968 5.397 1.00 0.00 C ATOM 593 OE1 GLU A 38 83.848 32.144 6.213 1.00 0.00 O ATOM 594 OE2 GLU A 38 85.476 32.909 4.950 1.00 0.00 O ATOM 0 H GLU A 38 81.568 36.135 5.544 1.00 0.00 H new ATOM 0 HA GLU A 38 81.432 34.666 3.149 1.00 0.00 H new ATOM 0 HB2 GLU A 38 81.625 33.829 6.067 1.00 0.00 H new ATOM 0 HB3 GLU A 38 81.797 32.712 4.727 1.00 0.00 H new ATOM 0 HG2 GLU A 38 83.658 34.344 3.893 1.00 0.00 H new ATOM 0 HG3 GLU A 38 83.616 34.988 5.523 1.00 0.00 H new ATOM 601 N VAL A 39 78.910 34.216 5.242 1.00 0.00 N ATOM 602 CA VAL A 39 77.543 33.719 5.340 1.00 0.00 C ATOM 603 C VAL A 39 76.631 34.419 4.339 1.00 0.00 C ATOM 604 O VAL A 39 75.697 33.817 3.810 1.00 0.00 O ATOM 605 CB VAL A 39 76.975 33.913 6.758 1.00 0.00 C ATOM 606 CG1 VAL A 39 75.539 33.416 6.831 1.00 0.00 C ATOM 607 CG2 VAL A 39 77.847 33.202 7.783 1.00 0.00 C ATOM 0 H VAL A 39 79.255 34.670 6.088 1.00 0.00 H new ATOM 0 HA VAL A 39 77.577 32.653 5.113 1.00 0.00 H new ATOM 0 HB VAL A 39 76.977 34.978 6.989 1.00 0.00 H new ATOM 0 HG11 VAL A 39 75.155 33.561 7.841 1.00 0.00 H new ATOM 0 HG12 VAL A 39 74.924 33.974 6.125 1.00 0.00 H new ATOM 0 HG13 VAL A 39 75.508 32.356 6.580 1.00 0.00 H new ATOM 0 HG21 VAL A 39 77.431 33.350 8.780 1.00 0.00 H new ATOM 0 HG22 VAL A 39 77.879 32.136 7.557 1.00 0.00 H new ATOM 0 HG23 VAL A 39 78.857 33.610 7.747 1.00 0.00 H new ATOM 617 N GLU A 40 76.910 35.693 4.083 1.00 0.00 N ATOM 618 CA GLU A 40 76.113 36.475 3.145 1.00 0.00 C ATOM 619 C GLU A 40 76.294 35.963 1.718 1.00 0.00 C ATOM 620 O GLU A 40 75.320 35.678 1.020 1.00 0.00 O ATOM 621 CB GLU A 40 76.500 37.953 3.221 1.00 0.00 C ATOM 622 CG GLU A 40 75.694 38.742 4.239 1.00 0.00 C ATOM 623 CD GLU A 40 76.257 40.129 4.481 1.00 0.00 C ATOM 624 OE1 GLU A 40 77.163 40.541 3.726 1.00 0.00 O ATOM 625 OE2 GLU A 40 75.794 40.801 5.426 1.00 0.00 O ATOM 0 H GLU A 40 77.681 36.205 4.511 1.00 0.00 H new ATOM 0 HA GLU A 40 75.064 36.367 3.421 1.00 0.00 H new ATOM 0 HB2 GLU A 40 77.558 38.030 3.469 1.00 0.00 H new ATOM 0 HB3 GLU A 40 76.370 38.405 2.238 1.00 0.00 H new ATOM 0 HG2 GLU A 40 74.664 38.827 3.894 1.00 0.00 H new ATOM 0 HG3 GLU A 40 75.670 38.194 5.181 1.00 0.00 H new ATOM 632 N LEU A 41 77.547 35.849 1.292 1.00 0.00 N ATOM 633 CA LEU A 41 77.858 35.372 -0.051 1.00 0.00 C ATOM 634 C LEU A 41 77.384 33.935 -0.242 1.00 0.00 C ATOM 635 O LEU A 41 76.927 33.559 -1.323 1.00 0.00 O ATOM 636 CB LEU A 41 79.363 35.463 -0.310 1.00 0.00 C ATOM 637 CG LEU A 41 79.969 36.866 -0.263 1.00 0.00 C ATOM 638 CD1 LEU A 41 81.423 36.805 0.177 1.00 0.00 C ATOM 639 CD2 LEU A 41 79.848 37.545 -1.619 1.00 0.00 C ATOM 0 H LEU A 41 78.364 36.080 1.857 1.00 0.00 H new ATOM 0 HA LEU A 41 77.333 36.006 -0.766 1.00 0.00 H new ATOM 0 HB2 LEU A 41 79.876 34.843 0.425 1.00 0.00 H new ATOM 0 HB3 LEU A 41 79.569 35.033 -1.290 1.00 0.00 H new ATOM 0 HG LEU A 41 79.415 37.456 0.467 1.00 0.00 H new ATOM 0 HD11 LEU A 41 81.837 37.813 0.204 1.00 0.00 H new ATOM 0 HD12 LEU A 41 81.484 36.360 1.170 1.00 0.00 H new ATOM 0 HD13 LEU A 41 81.991 36.198 -0.528 1.00 0.00 H new ATOM 0 HD21 LEU A 41 80.284 38.542 -1.567 1.00 0.00 H new ATOM 0 HD22 LEU A 41 80.376 36.957 -2.369 1.00 0.00 H new ATOM 0 HD23 LEU A 41 78.796 37.623 -1.894 1.00 0.00 H new ATOM 651 N LEU A 42 77.492 33.137 0.814 1.00 0.00 N ATOM 652 CA LEU A 42 77.072 31.741 0.764 1.00 0.00 C ATOM 653 C LEU A 42 75.555 31.633 0.638 1.00 0.00 C ATOM 654 O LEU A 42 75.039 31.129 -0.359 1.00 0.00 O ATOM 655 CB LEU A 42 77.545 31.000 2.016 1.00 0.00 C ATOM 656 CG LEU A 42 76.817 29.694 2.339 1.00 0.00 C ATOM 657 CD1 LEU A 42 77.043 28.671 1.237 1.00 0.00 C ATOM 658 CD2 LEU A 42 77.277 29.146 3.681 1.00 0.00 C ATOM 0 H LEU A 42 77.867 33.433 1.715 1.00 0.00 H new ATOM 0 HA LEU A 42 77.525 31.282 -0.115 1.00 0.00 H new ATOM 0 HB2 LEU A 42 78.607 30.783 1.905 1.00 0.00 H new ATOM 0 HB3 LEU A 42 77.444 31.670 2.870 1.00 0.00 H new ATOM 0 HG LEU A 42 75.749 29.901 2.401 1.00 0.00 H new ATOM 0 HD11 LEU A 42 76.518 27.748 1.484 1.00 0.00 H new ATOM 0 HD12 LEU A 42 76.664 29.063 0.293 1.00 0.00 H new ATOM 0 HD13 LEU A 42 78.110 28.467 1.143 1.00 0.00 H new ATOM 0 HD21 LEU A 42 76.749 28.217 3.895 1.00 0.00 H new ATOM 0 HD22 LEU A 42 78.350 28.954 3.647 1.00 0.00 H new ATOM 0 HD23 LEU A 42 77.063 29.874 4.464 1.00 0.00 H new ATOM 670 N VAL A 43 74.847 32.111 1.656 1.00 0.00 N ATOM 671 CA VAL A 43 73.389 32.072 1.659 1.00 0.00 C ATOM 672 C VAL A 43 72.820 32.716 0.400 1.00 0.00 C ATOM 673 O VAL A 43 71.766 32.315 -0.092 1.00 0.00 O ATOM 674 CB VAL A 43 72.811 32.786 2.894 1.00 0.00 C ATOM 675 CG1 VAL A 43 71.292 32.832 2.822 1.00 0.00 C ATOM 676 CG2 VAL A 43 73.271 32.099 4.171 1.00 0.00 C ATOM 0 H VAL A 43 75.259 32.530 2.490 1.00 0.00 H new ATOM 0 HA VAL A 43 73.100 31.021 1.688 1.00 0.00 H new ATOM 0 HB VAL A 43 73.182 33.811 2.906 1.00 0.00 H new ATOM 0 HG11 VAL A 43 70.901 33.340 3.703 1.00 0.00 H new ATOM 0 HG12 VAL A 43 70.986 33.372 1.926 1.00 0.00 H new ATOM 0 HG13 VAL A 43 70.899 31.816 2.785 1.00 0.00 H new ATOM 0 HG21 VAL A 43 72.853 32.617 5.034 1.00 0.00 H new ATOM 0 HG22 VAL A 43 72.931 31.063 4.170 1.00 0.00 H new ATOM 0 HG23 VAL A 43 74.359 32.123 4.226 1.00 0.00 H new ATOM 686 N GLU A 44 73.526 33.717 -0.117 1.00 0.00 N ATOM 687 CA GLU A 44 73.090 34.417 -1.320 1.00 0.00 C ATOM 688 C GLU A 44 73.351 33.574 -2.565 1.00 0.00 C ATOM 689 O GLU A 44 72.585 33.617 -3.528 1.00 0.00 O ATOM 690 CB GLU A 44 73.808 35.763 -1.442 1.00 0.00 C ATOM 691 CG GLU A 44 73.432 36.542 -2.691 1.00 0.00 C ATOM 692 CD GLU A 44 73.996 37.950 -2.692 1.00 0.00 C ATOM 693 OE1 GLU A 44 74.920 38.218 -1.897 1.00 0.00 O ATOM 694 OE2 GLU A 44 73.512 38.782 -3.487 1.00 0.00 O ATOM 0 H GLU A 44 74.401 34.061 0.278 1.00 0.00 H new ATOM 0 HA GLU A 44 72.017 34.592 -1.239 1.00 0.00 H new ATOM 0 HB2 GLU A 44 73.580 36.368 -0.564 1.00 0.00 H new ATOM 0 HB3 GLU A 44 74.885 35.592 -1.441 1.00 0.00 H new ATOM 0 HG2 GLU A 44 73.794 36.009 -3.570 1.00 0.00 H new ATOM 0 HG3 GLU A 44 72.346 36.589 -2.772 1.00 0.00 H new ATOM 701 N ALA A 45 74.437 32.809 -2.538 1.00 0.00 N ATOM 702 CA ALA A 45 74.798 31.955 -3.662 1.00 0.00 C ATOM 703 C ALA A 45 73.793 30.822 -3.837 1.00 0.00 C ATOM 704 O ALA A 45 73.334 30.551 -4.946 1.00 0.00 O ATOM 705 CB ALA A 45 76.200 31.395 -3.470 1.00 0.00 C ATOM 0 H ALA A 45 75.082 32.763 -1.749 1.00 0.00 H new ATOM 0 HA ALA A 45 74.781 32.562 -4.567 1.00 0.00 H new ATOM 0 HB1 ALA A 45 76.457 30.759 -4.317 1.00 0.00 H new ATOM 0 HB2 ALA A 45 76.914 32.216 -3.403 1.00 0.00 H new ATOM 0 HB3 ALA A 45 76.235 30.808 -2.552 1.00 0.00 H new ATOM 711 N VAL A 46 73.455 30.162 -2.733 1.00 0.00 N ATOM 712 CA VAL A 46 72.503 29.058 -2.764 1.00 0.00 C ATOM 713 C VAL A 46 71.080 29.565 -2.969 1.00 0.00 C ATOM 714 O VAL A 46 70.260 28.902 -3.603 1.00 0.00 O ATOM 715 CB VAL A 46 72.559 28.231 -1.466 1.00 0.00 C ATOM 716 CG1 VAL A 46 72.521 29.144 -0.250 1.00 0.00 C ATOM 717 CG2 VAL A 46 71.419 27.226 -1.425 1.00 0.00 C ATOM 0 H VAL A 46 73.826 30.373 -1.807 1.00 0.00 H new ATOM 0 HA VAL A 46 72.784 28.422 -3.603 1.00 0.00 H new ATOM 0 HB VAL A 46 73.499 27.679 -1.447 1.00 0.00 H new ATOM 0 HG11 VAL A 46 72.561 28.542 0.658 1.00 0.00 H new ATOM 0 HG12 VAL A 46 73.376 29.820 -0.276 1.00 0.00 H new ATOM 0 HG13 VAL A 46 71.599 29.725 -0.260 1.00 0.00 H new ATOM 0 HG21 VAL A 46 71.474 26.651 -0.501 1.00 0.00 H new ATOM 0 HG22 VAL A 46 70.467 27.754 -1.467 1.00 0.00 H new ATOM 0 HG23 VAL A 46 71.498 26.552 -2.278 1.00 0.00 H new ATOM 727 N GLU A 47 70.794 30.745 -2.429 1.00 0.00 N ATOM 728 CA GLU A 47 69.469 31.341 -2.553 1.00 0.00 C ATOM 729 C GLU A 47 69.243 31.877 -3.964 1.00 0.00 C ATOM 730 O GLU A 47 68.228 31.583 -4.596 1.00 0.00 O ATOM 731 CB GLU A 47 69.295 32.469 -1.533 1.00 0.00 C ATOM 732 CG GLU A 47 68.041 33.299 -1.752 1.00 0.00 C ATOM 733 CD GLU A 47 68.256 34.430 -2.739 1.00 0.00 C ATOM 734 OE1 GLU A 47 69.198 35.224 -2.536 1.00 0.00 O ATOM 735 OE2 GLU A 47 67.480 34.521 -3.714 1.00 0.00 O ATOM 0 H GLU A 47 71.462 31.307 -1.901 1.00 0.00 H new ATOM 0 HA GLU A 47 68.730 30.565 -2.355 1.00 0.00 H new ATOM 0 HB2 GLU A 47 69.267 32.040 -0.531 1.00 0.00 H new ATOM 0 HB3 GLU A 47 70.166 33.123 -1.575 1.00 0.00 H new ATOM 0 HG2 GLU A 47 67.241 32.653 -2.114 1.00 0.00 H new ATOM 0 HG3 GLU A 47 67.711 33.711 -0.798 1.00 0.00 H new ATOM 742 N HIS A 48 70.196 32.664 -4.451 1.00 0.00 N ATOM 743 CA HIS A 48 70.102 33.242 -5.787 1.00 0.00 C ATOM 744 C HIS A 48 69.896 32.153 -6.836 1.00 0.00 C ATOM 745 O HIS A 48 69.333 32.403 -7.903 1.00 0.00 O ATOM 746 CB HIS A 48 71.363 34.044 -6.109 1.00 0.00 C ATOM 747 CG HIS A 48 71.214 34.943 -7.297 1.00 0.00 C ATOM 748 ND1 HIS A 48 70.580 36.167 -7.240 1.00 0.00 N ATOM 749 CD2 HIS A 48 71.622 34.792 -8.579 1.00 0.00 C ATOM 750 CE1 HIS A 48 70.604 36.728 -8.436 1.00 0.00 C ATOM 751 NE2 HIS A 48 71.231 35.915 -9.266 1.00 0.00 N ATOM 0 H HIS A 48 71.042 32.916 -3.941 1.00 0.00 H new ATOM 0 HA HIS A 48 69.241 33.910 -5.807 1.00 0.00 H new ATOM 0 HB2 HIS A 48 71.633 34.645 -5.241 1.00 0.00 H new ATOM 0 HB3 HIS A 48 72.187 33.353 -6.287 1.00 0.00 H new ATOM 0 HD2 HIS A 48 72.156 33.946 -8.986 1.00 0.00 H new ATOM 0 HE1 HIS A 48 70.182 37.689 -8.691 1.00 0.00 H new ATOM 0 HE2 HIS A 48 71.398 36.092 -10.257 1.00 0.00 H new ATOM 759 N LEU A 49 70.356 30.946 -6.527 1.00 0.00 N ATOM 760 CA LEU A 49 70.223 29.819 -7.444 1.00 0.00 C ATOM 761 C LEU A 49 69.087 28.897 -7.012 1.00 0.00 C ATOM 762 O LEU A 49 68.569 28.118 -7.810 1.00 0.00 O ATOM 763 CB LEU A 49 71.535 29.034 -7.511 1.00 0.00 C ATOM 764 CG LEU A 49 72.778 29.836 -7.895 1.00 0.00 C ATOM 765 CD1 LEU A 49 74.035 29.151 -7.382 1.00 0.00 C ATOM 766 CD2 LEU A 49 72.849 30.023 -9.403 1.00 0.00 C ATOM 0 H LEU A 49 70.824 30.722 -5.649 1.00 0.00 H new ATOM 0 HA LEU A 49 69.991 30.212 -8.434 1.00 0.00 H new ATOM 0 HB2 LEU A 49 71.710 28.574 -6.538 1.00 0.00 H new ATOM 0 HB3 LEU A 49 71.414 28.223 -8.230 1.00 0.00 H new ATOM 0 HG LEU A 49 72.709 30.820 -7.430 1.00 0.00 H new ATOM 0 HD11 LEU A 49 74.910 29.737 -7.665 1.00 0.00 H new ATOM 0 HD12 LEU A 49 73.988 29.070 -6.296 1.00 0.00 H new ATOM 0 HD13 LEU A 49 74.109 28.154 -7.817 1.00 0.00 H new ATOM 0 HD21 LEU A 49 73.741 30.596 -9.657 1.00 0.00 H new ATOM 0 HD22 LEU A 49 72.894 29.048 -9.889 1.00 0.00 H new ATOM 0 HD23 LEU A 49 71.964 30.559 -9.745 1.00 0.00 H new ATOM 778 N GLY A 50 68.704 28.993 -5.742 1.00 0.00 N ATOM 779 CA GLY A 50 67.630 28.164 -5.227 1.00 0.00 C ATOM 780 C GLY A 50 67.747 26.720 -5.673 1.00 0.00 C ATOM 781 O GLY A 50 68.844 26.236 -5.958 1.00 0.00 O ATOM 0 H GLY A 50 69.118 29.630 -5.061 1.00 0.00 H new ATOM 0 HA2 GLY A 50 67.633 28.206 -4.138 1.00 0.00 H new ATOM 0 HA3 GLY A 50 66.673 28.567 -5.559 1.00 0.00 H new ATOM 785 N THR A 51 66.614 26.027 -5.734 1.00 0.00 N ATOM 786 CA THR A 51 66.594 24.629 -6.146 1.00 0.00 C ATOM 787 C THR A 51 67.727 23.847 -5.491 1.00 0.00 C ATOM 788 O THR A 51 68.232 22.878 -6.056 1.00 0.00 O ATOM 789 CB THR A 51 66.709 24.493 -7.676 1.00 0.00 C ATOM 790 OG1 THR A 51 66.443 23.141 -8.068 1.00 0.00 O ATOM 791 CG2 THR A 51 68.093 24.903 -8.154 1.00 0.00 C ATOM 0 H THR A 51 65.698 26.412 -5.503 1.00 0.00 H new ATOM 0 HA THR A 51 65.638 24.217 -5.823 1.00 0.00 H new ATOM 0 HB THR A 51 65.974 25.155 -8.134 1.00 0.00 H new ATOM 0 HG1 THR A 51 66.994 22.531 -7.534 1.00 0.00 H new ATOM 0 HG21 THR A 51 68.150 24.798 -9.237 1.00 0.00 H new ATOM 0 HG22 THR A 51 68.280 25.941 -7.879 1.00 0.00 H new ATOM 0 HG23 THR A 51 68.843 24.264 -7.688 1.00 0.00 H new ATOM 799 N GLY A 52 68.122 24.274 -4.296 1.00 0.00 N ATOM 800 CA GLY A 52 69.192 23.601 -3.584 1.00 0.00 C ATOM 801 C GLY A 52 70.321 23.175 -4.502 1.00 0.00 C ATOM 802 O GLY A 52 70.882 22.090 -4.343 1.00 0.00 O ATOM 0 H GLY A 52 67.720 25.074 -3.808 1.00 0.00 H new ATOM 0 HA2 GLY A 52 69.585 24.264 -2.813 1.00 0.00 H new ATOM 0 HA3 GLY A 52 68.791 22.724 -3.076 1.00 0.00 H new ATOM 806 N ARG A 53 70.652 24.028 -5.465 1.00 0.00 N ATOM 807 CA ARG A 53 71.719 23.732 -6.414 1.00 0.00 C ATOM 808 C ARG A 53 73.086 23.832 -5.744 1.00 0.00 C ATOM 809 O ARG A 53 73.808 24.811 -5.928 1.00 0.00 O ATOM 810 CB ARG A 53 71.652 24.690 -7.605 1.00 0.00 C ATOM 811 CG ARG A 53 71.103 24.051 -8.870 1.00 0.00 C ATOM 812 CD ARG A 53 70.751 25.098 -9.915 1.00 0.00 C ATOM 813 NE ARG A 53 69.990 24.529 -11.025 1.00 0.00 N ATOM 814 CZ ARG A 53 69.728 25.187 -12.149 1.00 0.00 C ATOM 815 NH1 ARG A 53 70.163 26.429 -12.312 1.00 0.00 N ATOM 816 NH2 ARG A 53 69.029 24.602 -13.113 1.00 0.00 N ATOM 0 H ARG A 53 70.197 24.930 -5.609 1.00 0.00 H new ATOM 0 HA ARG A 53 71.581 22.711 -6.769 1.00 0.00 H new ATOM 0 HB2 ARG A 53 71.029 25.544 -7.339 1.00 0.00 H new ATOM 0 HB3 ARG A 53 72.651 25.076 -7.807 1.00 0.00 H new ATOM 0 HG2 ARG A 53 71.840 23.360 -9.279 1.00 0.00 H new ATOM 0 HG3 ARG A 53 70.217 23.465 -8.628 1.00 0.00 H new ATOM 0 HD2 ARG A 53 70.171 25.895 -9.449 1.00 0.00 H new ATOM 0 HD3 ARG A 53 71.666 25.551 -10.297 1.00 0.00 H new ATOM 0 HE ARG A 53 69.641 23.575 -10.932 1.00 0.00 H new ATOM 0 HH11 ARG A 53 70.701 26.882 -11.573 1.00 0.00 H new ATOM 0 HH12 ARG A 53 69.960 26.931 -13.176 1.00 0.00 H new ATOM 0 HH21 ARG A 53 68.693 23.647 -12.991 1.00 0.00 H new ATOM 0 HH22 ARG A 53 68.828 25.107 -13.976 1.00 0.00 H new ATOM 830 N TRP A 54 73.434 22.813 -4.966 1.00 0.00 N ATOM 831 CA TRP A 54 74.714 22.786 -4.268 1.00 0.00 C ATOM 832 C TRP A 54 75.871 22.955 -5.246 1.00 0.00 C ATOM 833 O TRP A 54 76.924 23.484 -4.891 1.00 0.00 O ATOM 834 CB TRP A 54 74.870 21.475 -3.496 1.00 0.00 C ATOM 835 CG TRP A 54 74.308 20.289 -4.219 1.00 0.00 C ATOM 836 CD1 TRP A 54 73.069 19.739 -4.053 1.00 0.00 C ATOM 837 CD2 TRP A 54 74.966 19.506 -5.221 1.00 0.00 C ATOM 838 NE1 TRP A 54 72.917 18.661 -4.892 1.00 0.00 N ATOM 839 CE2 TRP A 54 74.066 18.498 -5.620 1.00 0.00 C ATOM 840 CE3 TRP A 54 76.226 19.559 -5.822 1.00 0.00 C ATOM 841 CZ2 TRP A 54 74.389 17.553 -6.589 1.00 0.00 C ATOM 842 CZ3 TRP A 54 76.545 18.620 -6.785 1.00 0.00 C ATOM 843 CH2 TRP A 54 75.630 17.628 -7.161 1.00 0.00 C ATOM 0 H TRP A 54 72.847 21.995 -4.803 1.00 0.00 H new ATOM 0 HA TRP A 54 74.733 23.618 -3.564 1.00 0.00 H new ATOM 0 HB2 TRP A 54 75.928 21.302 -3.297 1.00 0.00 H new ATOM 0 HB3 TRP A 54 74.375 21.570 -2.529 1.00 0.00 H new ATOM 0 HD1 TRP A 54 72.319 20.098 -3.364 1.00 0.00 H new ATOM 0 HE1 TRP A 54 72.084 18.077 -4.961 1.00 0.00 H new ATOM 0 HE3 TRP A 54 76.938 20.320 -5.539 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 73.685 16.787 -6.879 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 77.517 18.652 -7.256 1.00 0.00 H new ATOM 0 HH2 TRP A 54 75.909 16.909 -7.917 1.00 0.00 H new ATOM 854 N ARG A 55 75.669 22.503 -6.479 1.00 0.00 N ATOM 855 CA ARG A 55 76.696 22.604 -7.509 1.00 0.00 C ATOM 856 C ARG A 55 76.810 24.035 -8.025 1.00 0.00 C ATOM 857 O ARG A 55 77.904 24.597 -8.089 1.00 0.00 O ATOM 858 CB ARG A 55 76.382 21.656 -8.668 1.00 0.00 C ATOM 859 CG ARG A 55 77.230 21.904 -9.904 1.00 0.00 C ATOM 860 CD ARG A 55 78.713 21.748 -9.604 1.00 0.00 C ATOM 861 NE ARG A 55 79.499 21.549 -10.818 1.00 0.00 N ATOM 862 CZ ARG A 55 79.588 20.386 -11.453 1.00 0.00 C ATOM 863 NH1 ARG A 55 78.942 19.324 -10.992 1.00 0.00 N ATOM 864 NH2 ARG A 55 80.324 20.283 -12.553 1.00 0.00 N ATOM 0 H ARG A 55 74.803 22.063 -6.789 1.00 0.00 H new ATOM 0 HA ARG A 55 77.650 22.319 -7.064 1.00 0.00 H new ATOM 0 HB2 ARG A 55 76.530 20.628 -8.336 1.00 0.00 H new ATOM 0 HB3 ARG A 55 75.330 21.756 -8.934 1.00 0.00 H new ATOM 0 HG2 ARG A 55 76.942 21.206 -10.690 1.00 0.00 H new ATOM 0 HG3 ARG A 55 77.038 22.908 -10.283 1.00 0.00 H new ATOM 0 HD2 ARG A 55 79.072 22.634 -9.081 1.00 0.00 H new ATOM 0 HD3 ARG A 55 78.860 20.901 -8.934 1.00 0.00 H new ATOM 0 HE ARG A 55 80.008 22.347 -11.199 1.00 0.00 H new ATOM 0 HH11 ARG A 55 78.375 19.399 -10.148 1.00 0.00 H new ATOM 0 HH12 ARG A 55 79.012 18.432 -11.482 1.00 0.00 H new ATOM 0 HH21 ARG A 55 80.822 21.098 -12.911 1.00 0.00 H new ATOM 0 HH22 ARG A 55 80.391 19.389 -13.040 1.00 0.00 H new ATOM 878 N ASP A 56 75.675 24.618 -8.391 1.00 0.00 N ATOM 879 CA ASP A 56 75.647 25.984 -8.901 1.00 0.00 C ATOM 880 C ASP A 56 76.224 26.958 -7.879 1.00 0.00 C ATOM 881 O ASP A 56 77.068 27.792 -8.207 1.00 0.00 O ATOM 882 CB ASP A 56 74.216 26.389 -9.258 1.00 0.00 C ATOM 883 CG ASP A 56 74.165 27.415 -10.373 1.00 0.00 C ATOM 884 OD1 ASP A 56 75.120 28.211 -10.491 1.00 0.00 O ATOM 885 OD2 ASP A 56 73.171 27.421 -11.128 1.00 0.00 O ATOM 0 H ASP A 56 74.762 24.166 -8.344 1.00 0.00 H new ATOM 0 HA ASP A 56 76.262 26.022 -9.800 1.00 0.00 H new ATOM 0 HB2 ASP A 56 73.655 25.504 -9.557 1.00 0.00 H new ATOM 0 HB3 ASP A 56 73.725 26.794 -8.373 1.00 0.00 H new ATOM 890 N VAL A 57 75.762 26.848 -6.637 1.00 0.00 N ATOM 891 CA VAL A 57 76.232 27.718 -5.566 1.00 0.00 C ATOM 892 C VAL A 57 77.732 27.558 -5.347 1.00 0.00 C ATOM 893 O VAL A 57 78.463 28.543 -5.234 1.00 0.00 O ATOM 894 CB VAL A 57 75.497 27.428 -4.244 1.00 0.00 C ATOM 895 CG1 VAL A 57 75.505 25.937 -3.944 1.00 0.00 C ATOM 896 CG2 VAL A 57 76.125 28.214 -3.103 1.00 0.00 C ATOM 0 H VAL A 57 75.062 26.164 -6.348 1.00 0.00 H new ATOM 0 HA VAL A 57 76.020 28.742 -5.874 1.00 0.00 H new ATOM 0 HB VAL A 57 74.460 27.747 -4.347 1.00 0.00 H new ATOM 0 HG11 VAL A 57 74.981 25.752 -3.006 1.00 0.00 H new ATOM 0 HG12 VAL A 57 75.005 25.401 -4.751 1.00 0.00 H new ATOM 0 HG13 VAL A 57 76.534 25.588 -3.860 1.00 0.00 H new ATOM 0 HG21 VAL A 57 75.594 27.997 -2.176 1.00 0.00 H new ATOM 0 HG22 VAL A 57 77.171 27.928 -2.997 1.00 0.00 H new ATOM 0 HG23 VAL A 57 76.061 29.281 -3.317 1.00 0.00 H new ATOM 906 N LYS A 58 78.186 26.311 -5.287 1.00 0.00 N ATOM 907 CA LYS A 58 79.600 26.020 -5.082 1.00 0.00 C ATOM 908 C LYS A 58 80.461 26.760 -6.102 1.00 0.00 C ATOM 909 O LYS A 58 81.511 27.305 -5.763 1.00 0.00 O ATOM 910 CB LYS A 58 79.852 24.514 -5.183 1.00 0.00 C ATOM 911 CG LYS A 58 81.225 24.093 -4.691 1.00 0.00 C ATOM 912 CD LYS A 58 82.240 24.067 -5.822 1.00 0.00 C ATOM 913 CE LYS A 58 81.947 22.948 -6.809 1.00 0.00 C ATOM 914 NZ LYS A 58 83.053 22.769 -7.789 1.00 0.00 N ATOM 0 H LYS A 58 77.595 25.485 -5.378 1.00 0.00 H new ATOM 0 HA LYS A 58 79.875 26.362 -4.084 1.00 0.00 H new ATOM 0 HB2 LYS A 58 79.091 23.987 -4.606 1.00 0.00 H new ATOM 0 HB3 LYS A 58 79.736 24.204 -6.221 1.00 0.00 H new ATOM 0 HG2 LYS A 58 81.561 24.781 -3.915 1.00 0.00 H new ATOM 0 HG3 LYS A 58 81.162 23.105 -4.235 1.00 0.00 H new ATOM 0 HD2 LYS A 58 82.230 25.024 -6.343 1.00 0.00 H new ATOM 0 HD3 LYS A 58 83.241 23.938 -5.411 1.00 0.00 H new ATOM 0 HE2 LYS A 58 81.789 22.016 -6.265 1.00 0.00 H new ATOM 0 HE3 LYS A 58 81.022 23.167 -7.342 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 82.815 21.997 -8.444 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 83.187 23.650 -8.326 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 83.931 22.535 -7.283 1.00 0.00 H new ATOM 928 N PHE A 59 80.008 26.776 -7.351 1.00 0.00 N ATOM 929 CA PHE A 59 80.736 27.449 -8.420 1.00 0.00 C ATOM 930 C PHE A 59 80.424 28.943 -8.433 1.00 0.00 C ATOM 931 O PHE A 59 81.192 29.743 -8.967 1.00 0.00 O ATOM 932 CB PHE A 59 80.383 26.831 -9.775 1.00 0.00 C ATOM 933 CG PHE A 59 81.240 27.330 -10.903 1.00 0.00 C ATOM 934 CD1 PHE A 59 82.610 27.464 -10.742 1.00 0.00 C ATOM 935 CD2 PHE A 59 80.677 27.664 -12.123 1.00 0.00 C ATOM 936 CE1 PHE A 59 83.401 27.924 -11.778 1.00 0.00 C ATOM 937 CE2 PHE A 59 81.462 28.124 -13.163 1.00 0.00 C ATOM 938 CZ PHE A 59 82.827 28.253 -12.991 1.00 0.00 C ATOM 0 H PHE A 59 79.140 26.330 -7.648 1.00 0.00 H new ATOM 0 HA PHE A 59 81.803 27.319 -8.237 1.00 0.00 H new ATOM 0 HB2 PHE A 59 80.480 25.747 -9.707 1.00 0.00 H new ATOM 0 HB3 PHE A 59 79.338 27.044 -10.001 1.00 0.00 H new ATOM 0 HD1 PHE A 59 83.064 27.206 -9.797 1.00 0.00 H new ATOM 0 HD2 PHE A 59 79.611 27.564 -12.264 1.00 0.00 H new ATOM 0 HE1 PHE A 59 84.467 28.026 -11.639 1.00 0.00 H new ATOM 0 HE2 PHE A 59 81.009 28.382 -14.109 1.00 0.00 H new ATOM 0 HZ PHE A 59 83.444 28.610 -13.803 1.00 0.00 H new ATOM 948 N ARG A 60 79.291 29.310 -7.844 1.00 0.00 N ATOM 949 CA ARG A 60 78.876 30.706 -7.789 1.00 0.00 C ATOM 950 C ARG A 60 78.836 31.206 -6.348 1.00 0.00 C ATOM 951 O ARG A 60 77.797 31.653 -5.864 1.00 0.00 O ATOM 952 CB ARG A 60 77.501 30.877 -8.438 1.00 0.00 C ATOM 953 CG ARG A 60 77.205 32.303 -8.872 1.00 0.00 C ATOM 954 CD ARG A 60 75.993 32.367 -9.788 1.00 0.00 C ATOM 955 NE ARG A 60 76.309 31.926 -11.144 1.00 0.00 N ATOM 956 CZ ARG A 60 75.502 32.111 -12.183 1.00 0.00 C ATOM 957 NH1 ARG A 60 74.339 32.726 -12.023 1.00 0.00 N ATOM 958 NH2 ARG A 60 75.860 31.681 -13.387 1.00 0.00 N ATOM 0 H ARG A 60 78.644 28.660 -7.398 1.00 0.00 H new ATOM 0 HA ARG A 60 79.607 31.298 -8.340 1.00 0.00 H new ATOM 0 HB2 ARG A 60 77.434 30.221 -9.306 1.00 0.00 H new ATOM 0 HB3 ARG A 60 76.734 30.554 -7.734 1.00 0.00 H new ATOM 0 HG2 ARG A 60 77.031 32.923 -7.993 1.00 0.00 H new ATOM 0 HG3 ARG A 60 78.073 32.715 -9.386 1.00 0.00 H new ATOM 0 HD2 ARG A 60 75.197 31.744 -9.380 1.00 0.00 H new ATOM 0 HD3 ARG A 60 75.614 33.389 -9.818 1.00 0.00 H new ATOM 0 HE ARG A 60 77.197 31.450 -11.302 1.00 0.00 H new ATOM 0 HH11 ARG A 60 74.061 33.059 -11.100 1.00 0.00 H new ATOM 0 HH12 ARG A 60 73.722 32.866 -12.823 1.00 0.00 H new ATOM 0 HH21 ARG A 60 76.755 31.208 -13.515 1.00 0.00 H new ATOM 0 HH22 ARG A 60 75.240 31.823 -14.184 1.00 0.00 H new ATOM 972 N ALA A 61 79.975 31.125 -5.668 1.00 0.00 N ATOM 973 CA ALA A 61 80.070 31.570 -4.283 1.00 0.00 C ATOM 974 C ALA A 61 81.526 31.724 -3.855 1.00 0.00 C ATOM 975 O ALA A 61 81.963 32.814 -3.485 1.00 0.00 O ATOM 976 CB ALA A 61 79.348 30.596 -3.364 1.00 0.00 C ATOM 0 H ALA A 61 80.844 30.756 -6.053 1.00 0.00 H new ATOM 0 HA ALA A 61 79.591 32.546 -4.207 1.00 0.00 H new ATOM 0 HB1 ALA A 61 79.427 30.941 -2.333 1.00 0.00 H new ATOM 0 HB2 ALA A 61 78.297 30.539 -3.648 1.00 0.00 H new ATOM 0 HB3 ALA A 61 79.801 29.609 -3.452 1.00 0.00 H new ATOM 982 N PHE A 62 82.272 30.626 -3.907 1.00 0.00 N ATOM 983 CA PHE A 62 83.679 30.639 -3.523 1.00 0.00 C ATOM 984 C PHE A 62 84.538 29.954 -4.582 1.00 0.00 C ATOM 985 O PHE A 62 85.588 29.391 -4.275 1.00 0.00 O ATOM 986 CB PHE A 62 83.867 29.946 -2.172 1.00 0.00 C ATOM 987 CG PHE A 62 83.944 30.900 -1.015 1.00 0.00 C ATOM 988 CD1 PHE A 62 82.921 31.803 -0.774 1.00 0.00 C ATOM 989 CD2 PHE A 62 85.041 30.895 -0.167 1.00 0.00 C ATOM 990 CE1 PHE A 62 82.988 32.682 0.290 1.00 0.00 C ATOM 991 CE2 PHE A 62 85.114 31.772 0.899 1.00 0.00 C ATOM 992 CZ PHE A 62 84.087 32.667 1.127 1.00 0.00 C ATOM 0 H PHE A 62 81.926 29.716 -4.211 1.00 0.00 H new ATOM 0 HA PHE A 62 83.997 31.678 -3.438 1.00 0.00 H new ATOM 0 HB2 PHE A 62 83.040 29.255 -2.009 1.00 0.00 H new ATOM 0 HB3 PHE A 62 84.779 29.350 -2.202 1.00 0.00 H new ATOM 0 HD1 PHE A 62 82.060 31.820 -1.426 1.00 0.00 H new ATOM 0 HD2 PHE A 62 85.847 30.198 -0.341 1.00 0.00 H new ATOM 0 HE1 PHE A 62 82.183 33.380 0.467 1.00 0.00 H new ATOM 0 HE2 PHE A 62 85.973 31.757 1.553 1.00 0.00 H new ATOM 0 HZ PHE A 62 84.143 33.354 1.958 1.00 0.00 H new ATOM 1002 N GLU A 63 84.083 30.007 -5.830 1.00 0.00 N ATOM 1003 CA GLU A 63 84.809 29.391 -6.934 1.00 0.00 C ATOM 1004 C GLU A 63 86.248 29.896 -6.989 1.00 0.00 C ATOM 1005 O GLU A 63 87.178 29.128 -7.230 1.00 0.00 O ATOM 1006 CB GLU A 63 84.104 29.680 -8.262 1.00 0.00 C ATOM 1007 CG GLU A 63 83.661 31.125 -8.413 1.00 0.00 C ATOM 1008 CD GLU A 63 83.231 31.458 -9.828 1.00 0.00 C ATOM 1009 OE1 GLU A 63 83.885 30.975 -10.776 1.00 0.00 O ATOM 1010 OE2 GLU A 63 82.240 32.201 -9.989 1.00 0.00 O ATOM 0 H GLU A 63 83.216 30.470 -6.101 1.00 0.00 H new ATOM 0 HA GLU A 63 84.827 28.314 -6.767 1.00 0.00 H new ATOM 0 HB2 GLU A 63 84.775 29.427 -9.083 1.00 0.00 H new ATOM 0 HB3 GLU A 63 83.233 29.031 -8.350 1.00 0.00 H new ATOM 0 HG2 GLU A 63 82.834 31.321 -7.730 1.00 0.00 H new ATOM 0 HG3 GLU A 63 84.478 31.784 -8.121 1.00 0.00 H new ATOM 1081 N ARG A 68 85.084 25.068 -0.343 1.00 0.00 N ATOM 1082 CA ARG A 68 85.257 23.821 0.392 1.00 0.00 C ATOM 1083 C ARG A 68 84.576 22.664 -0.332 1.00 0.00 C ATOM 1084 O ARG A 68 85.236 21.827 -0.949 1.00 0.00 O ATOM 1085 CB ARG A 68 84.691 23.955 1.807 1.00 0.00 C ATOM 1086 CG ARG A 68 85.561 24.788 2.734 1.00 0.00 C ATOM 1087 CD ARG A 68 86.881 24.094 3.032 1.00 0.00 C ATOM 1088 NE ARG A 68 87.538 24.649 4.212 1.00 0.00 N ATOM 1089 CZ ARG A 68 87.165 24.376 5.458 1.00 0.00 C ATOM 1090 NH1 ARG A 68 86.147 23.558 5.684 1.00 0.00 N ATOM 1091 NH2 ARG A 68 87.813 24.921 6.480 1.00 0.00 N ATOM 0 HA ARG A 68 86.325 23.610 0.454 1.00 0.00 H new ATOM 0 HB2 ARG A 68 83.700 24.404 1.752 1.00 0.00 H new ATOM 0 HB3 ARG A 68 84.567 22.960 2.235 1.00 0.00 H new ATOM 0 HG2 ARG A 68 85.754 25.759 2.278 1.00 0.00 H new ATOM 0 HG3 ARG A 68 85.028 24.974 3.666 1.00 0.00 H new ATOM 0 HD2 ARG A 68 86.704 23.029 3.183 1.00 0.00 H new ATOM 0 HD3 ARG A 68 87.543 24.189 2.171 1.00 0.00 H new ATOM 0 HE ARG A 68 88.326 25.281 4.072 1.00 0.00 H new ATOM 0 HH11 ARG A 68 85.648 23.136 4.901 1.00 0.00 H new ATOM 0 HH12 ARG A 68 85.863 23.350 6.641 1.00 0.00 H new ATOM 0 HH21 ARG A 68 88.598 25.550 6.309 1.00 0.00 H new ATOM 0 HH22 ARG A 68 87.526 24.711 7.436 1.00 0.00 H new ATOM 1105 N THR A 69 83.249 22.621 -0.253 1.00 0.00 N ATOM 1106 CA THR A 69 82.478 21.566 -0.898 1.00 0.00 C ATOM 1107 C THR A 69 81.042 22.011 -1.151 1.00 0.00 C ATOM 1108 O THR A 69 80.406 22.610 -0.283 1.00 0.00 O ATOM 1109 CB THR A 69 82.464 20.281 -0.050 1.00 0.00 C ATOM 1110 OG1 THR A 69 83.771 20.028 0.477 1.00 0.00 O ATOM 1111 CG2 THR A 69 82.007 19.090 -0.879 1.00 0.00 C ATOM 0 H THR A 69 82.686 23.306 0.252 1.00 0.00 H new ATOM 0 HA THR A 69 82.964 21.357 -1.851 1.00 0.00 H new ATOM 0 HB THR A 69 81.762 20.422 0.772 1.00 0.00 H new ATOM 0 HG1 THR A 69 83.754 19.210 1.016 1.00 0.00 H new ATOM 0 HG21 THR A 69 82.005 18.194 -0.258 1.00 0.00 H new ATOM 0 HG22 THR A 69 81.000 19.273 -1.255 1.00 0.00 H new ATOM 0 HG23 THR A 69 82.688 18.949 -1.719 1.00 0.00 H new ATOM 1119 N TYR A 70 80.537 21.714 -2.343 1.00 0.00 N ATOM 1120 CA TYR A 70 79.175 22.085 -2.709 1.00 0.00 C ATOM 1121 C TYR A 70 78.185 21.660 -1.630 1.00 0.00 C ATOM 1122 O TYR A 70 77.255 22.395 -1.299 1.00 0.00 O ATOM 1123 CB TYR A 70 78.793 21.449 -4.047 1.00 0.00 C ATOM 1124 CG TYR A 70 79.245 20.012 -4.185 1.00 0.00 C ATOM 1125 CD1 TYR A 70 78.490 18.973 -3.655 1.00 0.00 C ATOM 1126 CD2 TYR A 70 80.427 19.695 -4.843 1.00 0.00 C ATOM 1127 CE1 TYR A 70 78.899 17.659 -3.778 1.00 0.00 C ATOM 1128 CE2 TYR A 70 80.842 18.384 -4.972 1.00 0.00 C ATOM 1129 CZ TYR A 70 80.075 17.369 -4.438 1.00 0.00 C ATOM 1130 OH TYR A 70 80.487 16.062 -4.563 1.00 0.00 O ATOM 0 H TYR A 70 81.050 21.218 -3.072 1.00 0.00 H new ATOM 0 HA TYR A 70 79.135 23.170 -2.805 1.00 0.00 H new ATOM 0 HB2 TYR A 70 77.710 21.494 -4.165 1.00 0.00 H new ATOM 0 HB3 TYR A 70 79.226 22.037 -4.856 1.00 0.00 H new ATOM 0 HD1 TYR A 70 77.568 19.196 -3.138 1.00 0.00 H new ATOM 0 HD2 TYR A 70 81.031 20.487 -5.260 1.00 0.00 H new ATOM 0 HE1 TYR A 70 78.301 16.863 -3.360 1.00 0.00 H new ATOM 0 HE2 TYR A 70 81.762 18.154 -5.488 1.00 0.00 H new ATOM 0 HH TYR A 70 81.334 16.032 -5.055 1.00 0.00 H new ATOM 1140 N VAL A 71 78.393 20.466 -1.083 1.00 0.00 N ATOM 1141 CA VAL A 71 77.520 19.941 -0.039 1.00 0.00 C ATOM 1142 C VAL A 71 77.609 20.785 1.227 1.00 0.00 C ATOM 1143 O VAL A 71 76.626 20.942 1.951 1.00 0.00 O ATOM 1144 CB VAL A 71 77.872 18.481 0.305 1.00 0.00 C ATOM 1145 CG1 VAL A 71 79.306 18.381 0.802 1.00 0.00 C ATOM 1146 CG2 VAL A 71 76.901 17.929 1.337 1.00 0.00 C ATOM 0 H VAL A 71 79.158 19.844 -1.345 1.00 0.00 H new ATOM 0 HA VAL A 71 76.502 19.980 -0.428 1.00 0.00 H new ATOM 0 HB VAL A 71 77.784 17.880 -0.600 1.00 0.00 H new ATOM 0 HG11 VAL A 71 79.537 17.343 1.040 1.00 0.00 H new ATOM 0 HG12 VAL A 71 79.985 18.735 0.027 1.00 0.00 H new ATOM 0 HG13 VAL A 71 79.425 18.993 1.696 1.00 0.00 H new ATOM 0 HG21 VAL A 71 77.164 16.897 1.569 1.00 0.00 H new ATOM 0 HG22 VAL A 71 76.955 18.530 2.245 1.00 0.00 H new ATOM 0 HG23 VAL A 71 75.887 17.964 0.938 1.00 0.00 H new ATOM 1156 N ASP A 72 78.793 21.328 1.488 1.00 0.00 N ATOM 1157 CA ASP A 72 79.011 22.159 2.667 1.00 0.00 C ATOM 1158 C ASP A 72 78.217 23.458 2.569 1.00 0.00 C ATOM 1159 O ASP A 72 77.621 23.909 3.548 1.00 0.00 O ATOM 1160 CB ASP A 72 80.499 22.467 2.832 1.00 0.00 C ATOM 1161 CG ASP A 72 80.861 22.826 4.260 1.00 0.00 C ATOM 1162 OD1 ASP A 72 80.365 23.859 4.755 1.00 0.00 O ATOM 1163 OD2 ASP A 72 81.641 22.075 4.882 1.00 0.00 O ATOM 0 H ASP A 72 79.617 21.208 0.899 1.00 0.00 H new ATOM 0 HA ASP A 72 78.664 21.607 3.540 1.00 0.00 H new ATOM 0 HB2 ASP A 72 81.083 21.602 2.519 1.00 0.00 H new ATOM 0 HB3 ASP A 72 80.772 23.291 2.173 1.00 0.00 H new ATOM 1168 N LEU A 73 78.216 24.057 1.383 1.00 0.00 N ATOM 1169 CA LEU A 73 77.496 25.306 1.158 1.00 0.00 C ATOM 1170 C LEU A 73 75.993 25.105 1.316 1.00 0.00 C ATOM 1171 O LEU A 73 75.324 25.865 2.017 1.00 0.00 O ATOM 1172 CB LEU A 73 77.806 25.851 -0.238 1.00 0.00 C ATOM 1173 CG LEU A 73 79.208 26.425 -0.439 1.00 0.00 C ATOM 1174 CD1 LEU A 73 80.132 25.378 -1.042 1.00 0.00 C ATOM 1175 CD2 LEU A 73 79.156 27.664 -1.319 1.00 0.00 C ATOM 0 H LEU A 73 78.705 23.698 0.563 1.00 0.00 H new ATOM 0 HA LEU A 73 77.827 26.027 1.905 1.00 0.00 H new ATOM 0 HB2 LEU A 73 77.657 25.049 -0.961 1.00 0.00 H new ATOM 0 HB3 LEU A 73 77.080 26.629 -0.472 1.00 0.00 H new ATOM 0 HG LEU A 73 79.605 26.712 0.535 1.00 0.00 H new ATOM 0 HD11 LEU A 73 81.126 25.805 -1.178 1.00 0.00 H new ATOM 0 HD12 LEU A 73 80.194 24.519 -0.374 1.00 0.00 H new ATOM 0 HD13 LEU A 73 79.739 25.059 -2.007 1.00 0.00 H new ATOM 0 HD21 LEU A 73 80.163 28.059 -1.451 1.00 0.00 H new ATOM 0 HD22 LEU A 73 78.738 27.402 -2.291 1.00 0.00 H new ATOM 0 HD23 LEU A 73 78.529 28.420 -0.846 1.00 0.00 H new ATOM 1187 N LYS A 74 75.467 24.075 0.662 1.00 0.00 N ATOM 1188 CA LYS A 74 74.043 23.770 0.732 1.00 0.00 C ATOM 1189 C LYS A 74 73.651 23.319 2.135 1.00 0.00 C ATOM 1190 O LYS A 74 72.639 23.760 2.680 1.00 0.00 O ATOM 1191 CB LYS A 74 73.682 22.684 -0.284 1.00 0.00 C ATOM 1192 CG LYS A 74 72.230 22.243 -0.214 1.00 0.00 C ATOM 1193 CD LYS A 74 72.051 21.061 0.724 1.00 0.00 C ATOM 1194 CE LYS A 74 70.759 20.312 0.434 1.00 0.00 C ATOM 1195 NZ LYS A 74 70.773 18.939 1.012 1.00 0.00 N ATOM 0 H LYS A 74 76.006 23.437 0.077 1.00 0.00 H new ATOM 0 HA LYS A 74 73.491 24.679 0.494 1.00 0.00 H new ATOM 0 HB2 LYS A 74 73.893 23.053 -1.288 1.00 0.00 H new ATOM 0 HB3 LYS A 74 74.324 21.818 -0.121 1.00 0.00 H new ATOM 0 HG2 LYS A 74 71.612 23.075 0.125 1.00 0.00 H new ATOM 0 HG3 LYS A 74 71.882 21.973 -1.211 1.00 0.00 H new ATOM 0 HD2 LYS A 74 72.898 20.382 0.622 1.00 0.00 H new ATOM 0 HD3 LYS A 74 72.046 21.411 1.756 1.00 0.00 H new ATOM 0 HE2 LYS A 74 69.916 20.870 0.843 1.00 0.00 H new ATOM 0 HE3 LYS A 74 70.608 20.251 -0.644 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 69.876 18.461 0.793 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 71.562 18.398 0.603 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 70.891 18.998 2.044 1.00 0.00 H new ATOM 1209 N ASP A 75 74.459 22.439 2.716 1.00 0.00 N ATOM 1210 CA ASP A 75 74.198 21.930 4.057 1.00 0.00 C ATOM 1211 C ASP A 75 74.279 23.051 5.089 1.00 0.00 C ATOM 1212 O ASP A 75 73.493 23.096 6.035 1.00 0.00 O ATOM 1213 CB ASP A 75 75.194 20.823 4.409 1.00 0.00 C ATOM 1214 CG ASP A 75 74.808 20.076 5.670 1.00 0.00 C ATOM 1215 OD1 ASP A 75 73.687 20.301 6.174 1.00 0.00 O ATOM 1216 OD2 ASP A 75 75.626 19.266 6.153 1.00 0.00 O ATOM 0 H ASP A 75 75.301 22.063 2.279 1.00 0.00 H new ATOM 0 HA ASP A 75 73.189 21.518 4.072 1.00 0.00 H new ATOM 0 HB2 ASP A 75 75.259 20.119 3.579 1.00 0.00 H new ATOM 0 HB3 ASP A 75 76.185 21.258 4.537 1.00 0.00 H new ATOM 1221 N LYS A 76 75.236 23.953 4.901 1.00 0.00 N ATOM 1222 CA LYS A 76 75.421 25.075 5.814 1.00 0.00 C ATOM 1223 C LYS A 76 74.203 25.993 5.802 1.00 0.00 C ATOM 1224 O LYS A 76 73.697 26.382 6.855 1.00 0.00 O ATOM 1225 CB LYS A 76 76.674 25.867 5.434 1.00 0.00 C ATOM 1226 CG LYS A 76 76.975 27.019 6.378 1.00 0.00 C ATOM 1227 CD LYS A 76 78.452 27.080 6.728 1.00 0.00 C ATOM 1228 CE LYS A 76 79.294 27.475 5.525 1.00 0.00 C ATOM 1229 NZ LYS A 76 80.671 26.913 5.604 1.00 0.00 N ATOM 0 H LYS A 76 75.896 23.929 4.124 1.00 0.00 H new ATOM 0 HA LYS A 76 75.543 24.676 6.821 1.00 0.00 H new ATOM 0 HB2 LYS A 76 77.529 25.191 5.415 1.00 0.00 H new ATOM 0 HB3 LYS A 76 76.554 26.258 4.424 1.00 0.00 H new ATOM 0 HG2 LYS A 76 76.670 27.958 5.916 1.00 0.00 H new ATOM 0 HG3 LYS A 76 76.388 26.907 7.290 1.00 0.00 H new ATOM 0 HD2 LYS A 76 78.607 27.798 7.533 1.00 0.00 H new ATOM 0 HD3 LYS A 76 78.779 26.109 7.100 1.00 0.00 H new ATOM 0 HE2 LYS A 76 78.811 27.125 4.613 1.00 0.00 H new ATOM 0 HE3 LYS A 76 79.348 28.562 5.461 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 81.299 27.443 4.967 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 81.022 26.990 6.580 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 80.654 25.913 5.320 1.00 0.00 H new ATOM 1243 N TRP A 77 73.736 26.333 4.606 1.00 0.00 N ATOM 1244 CA TRP A 77 72.576 27.204 4.458 1.00 0.00 C ATOM 1245 C TRP A 77 71.355 26.607 5.150 1.00 0.00 C ATOM 1246 O TRP A 77 70.706 27.265 5.963 1.00 0.00 O ATOM 1247 CB TRP A 77 72.274 27.439 2.977 1.00 0.00 C ATOM 1248 CG TRP A 77 70.902 27.989 2.731 1.00 0.00 C ATOM 1249 CD1 TRP A 77 70.445 29.232 3.065 1.00 0.00 C ATOM 1250 CD2 TRP A 77 69.808 27.314 2.099 1.00 0.00 C ATOM 1251 NE1 TRP A 77 69.133 29.370 2.679 1.00 0.00 N ATOM 1252 CE2 TRP A 77 68.720 28.208 2.083 1.00 0.00 C ATOM 1253 CE3 TRP A 77 69.644 26.043 1.543 1.00 0.00 C ATOM 1254 CZ2 TRP A 77 67.486 27.869 1.535 1.00 0.00 C ATOM 1255 CZ3 TRP A 77 68.418 25.707 0.999 1.00 0.00 C ATOM 1256 CH2 TRP A 77 67.353 26.617 0.997 1.00 0.00 C ATOM 0 H TRP A 77 74.143 26.019 3.725 1.00 0.00 H new ATOM 0 HA TRP A 77 72.807 28.159 4.930 1.00 0.00 H new ATOM 0 HB2 TRP A 77 73.013 28.128 2.568 1.00 0.00 H new ATOM 0 HB3 TRP A 77 72.383 26.498 2.438 1.00 0.00 H new ATOM 0 HD1 TRP A 77 71.029 29.994 3.560 1.00 0.00 H new ATOM 0 HE1 TRP A 77 68.560 30.203 2.814 1.00 0.00 H new ATOM 0 HE3 TRP A 77 70.460 25.336 1.538 1.00 0.00 H new ATOM 0 HZ2 TRP A 77 66.663 28.568 1.534 1.00 0.00 H new ATOM 0 HZ3 TRP A 77 68.279 24.726 0.568 1.00 0.00 H new ATOM 0 HH2 TRP A 77 66.408 26.325 0.562 1.00 0.00 H new ATOM 1267 N LYS A 78 71.047 25.357 4.823 1.00 0.00 N ATOM 1268 CA LYS A 78 69.905 24.670 5.414 1.00 0.00 C ATOM 1269 C LYS A 78 70.060 24.560 6.927 1.00 0.00 C ATOM 1270 O LYS A 78 69.134 24.861 7.681 1.00 0.00 O ATOM 1271 CB LYS A 78 69.751 23.275 4.803 1.00 0.00 C ATOM 1272 CG LYS A 78 68.644 22.452 5.439 1.00 0.00 C ATOM 1273 CD LYS A 78 68.063 21.447 4.458 1.00 0.00 C ATOM 1274 CE LYS A 78 67.075 20.512 5.139 1.00 0.00 C ATOM 1275 NZ LYS A 78 65.792 21.197 5.457 1.00 0.00 N ATOM 0 H LYS A 78 71.573 24.798 4.151 1.00 0.00 H new ATOM 0 HA LYS A 78 69.010 25.254 5.200 1.00 0.00 H new ATOM 0 HB2 LYS A 78 69.551 23.375 3.736 1.00 0.00 H new ATOM 0 HB3 LYS A 78 70.694 22.738 4.902 1.00 0.00 H new ATOM 0 HG2 LYS A 78 69.035 21.927 6.311 1.00 0.00 H new ATOM 0 HG3 LYS A 78 67.854 23.115 5.793 1.00 0.00 H new ATOM 0 HD2 LYS A 78 67.565 21.976 3.646 1.00 0.00 H new ATOM 0 HD3 LYS A 78 68.869 20.864 4.012 1.00 0.00 H new ATOM 0 HE2 LYS A 78 66.879 19.657 4.492 1.00 0.00 H new ATOM 0 HE3 LYS A 78 67.516 20.123 6.057 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 65.146 20.526 5.920 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 65.975 21.998 6.095 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 65.358 21.546 4.579 1.00 0.00 H new ATOM 1289 N THR A 79 71.238 24.127 7.367 1.00 0.00 N ATOM 1290 CA THR A 79 71.514 23.977 8.790 1.00 0.00 C ATOM 1291 C THR A 79 71.339 25.301 9.526 1.00 0.00 C ATOM 1292 O THR A 79 70.625 25.376 10.528 1.00 0.00 O ATOM 1293 CB THR A 79 72.942 23.453 9.033 1.00 0.00 C ATOM 1294 OG1 THR A 79 73.103 22.169 8.421 1.00 0.00 O ATOM 1295 CG2 THR A 79 73.234 23.351 10.523 1.00 0.00 C ATOM 0 H THR A 79 72.016 23.874 6.758 1.00 0.00 H new ATOM 0 HA THR A 79 70.798 23.252 9.176 1.00 0.00 H new ATOM 0 HB THR A 79 73.645 24.157 8.588 1.00 0.00 H new ATOM 0 HG1 THR A 79 72.934 22.242 7.458 1.00 0.00 H new ATOM 0 HG21 THR A 79 74.248 22.979 10.670 1.00 0.00 H new ATOM 0 HG22 THR A 79 73.139 24.336 10.981 1.00 0.00 H new ATOM 0 HG23 THR A 79 72.525 22.665 10.987 1.00 0.00 H new ATOM 1303 N LEU A 80 71.993 26.342 9.025 1.00 0.00 N ATOM 1304 CA LEU A 80 71.909 27.665 9.635 1.00 0.00 C ATOM 1305 C LEU A 80 70.464 28.154 9.678 1.00 0.00 C ATOM 1306 O LEU A 80 70.072 28.884 10.588 1.00 0.00 O ATOM 1307 CB LEU A 80 72.773 28.661 8.860 1.00 0.00 C ATOM 1308 CG LEU A 80 72.039 29.543 7.849 1.00 0.00 C ATOM 1309 CD1 LEU A 80 71.435 30.757 8.538 1.00 0.00 C ATOM 1310 CD2 LEU A 80 72.981 29.973 6.734 1.00 0.00 C ATOM 0 H LEU A 80 72.588 26.296 8.198 1.00 0.00 H new ATOM 0 HA LEU A 80 72.279 27.591 10.658 1.00 0.00 H new ATOM 0 HB2 LEU A 80 73.278 29.308 9.577 1.00 0.00 H new ATOM 0 HB3 LEU A 80 73.548 28.105 8.332 1.00 0.00 H new ATOM 0 HG LEU A 80 71.229 28.961 7.409 1.00 0.00 H new ATOM 0 HD11 LEU A 80 70.917 31.373 7.803 1.00 0.00 H new ATOM 0 HD12 LEU A 80 70.727 30.429 9.299 1.00 0.00 H new ATOM 0 HD13 LEU A 80 72.227 31.341 9.007 1.00 0.00 H new ATOM 0 HD21 LEU A 80 72.442 30.600 6.024 1.00 0.00 H new ATOM 0 HD22 LEU A 80 73.812 30.537 7.157 1.00 0.00 H new ATOM 0 HD23 LEU A 80 73.364 29.091 6.221 1.00 0.00 H new ATOM 1322 N VAL A 81 69.676 27.744 8.689 1.00 0.00 N ATOM 1323 CA VAL A 81 68.274 28.137 8.616 1.00 0.00 C ATOM 1324 C VAL A 81 67.467 27.506 9.744 1.00 0.00 C ATOM 1325 O VAL A 81 66.655 28.171 10.389 1.00 0.00 O ATOM 1326 CB VAL A 81 67.649 27.737 7.266 1.00 0.00 C ATOM 1327 CG1 VAL A 81 66.131 27.812 7.337 1.00 0.00 C ATOM 1328 CG2 VAL A 81 68.183 28.620 6.149 1.00 0.00 C ATOM 0 H VAL A 81 69.985 27.140 7.927 1.00 0.00 H new ATOM 0 HA VAL A 81 68.244 29.222 8.715 1.00 0.00 H new ATOM 0 HB VAL A 81 67.928 26.706 7.048 1.00 0.00 H new ATOM 0 HG11 VAL A 81 65.707 27.526 6.374 1.00 0.00 H new ATOM 0 HG12 VAL A 81 65.769 27.133 8.109 1.00 0.00 H new ATOM 0 HG13 VAL A 81 65.828 28.831 7.579 1.00 0.00 H new ATOM 0 HG21 VAL A 81 67.731 28.323 5.203 1.00 0.00 H new ATOM 0 HG22 VAL A 81 67.936 29.661 6.358 1.00 0.00 H new ATOM 0 HG23 VAL A 81 69.265 28.510 6.084 1.00 0.00 H new ATOM 1338 N HIS A 82 67.695 26.218 9.980 1.00 0.00 N ATOM 1339 CA HIS A 82 66.990 25.496 11.033 1.00 0.00 C ATOM 1340 C HIS A 82 67.307 26.086 12.403 1.00 0.00 C ATOM 1341 O HIS A 82 66.427 26.217 13.255 1.00 0.00 O ATOM 1342 CB HIS A 82 67.364 24.014 11.003 1.00 0.00 C ATOM 1343 CG HIS A 82 66.251 23.106 11.427 1.00 0.00 C ATOM 1344 ND1 HIS A 82 65.756 23.072 12.714 1.00 0.00 N ATOM 1345 CD2 HIS A 82 65.535 22.196 10.726 1.00 0.00 C ATOM 1346 CE1 HIS A 82 64.784 22.180 12.786 1.00 0.00 C ATOM 1347 NE2 HIS A 82 64.630 21.634 11.593 1.00 0.00 N ATOM 0 H HIS A 82 68.363 25.653 9.456 1.00 0.00 H new ATOM 0 HA HIS A 82 65.920 25.596 10.854 1.00 0.00 H new ATOM 0 HB2 HIS A 82 67.675 23.747 9.993 1.00 0.00 H new ATOM 0 HB3 HIS A 82 68.223 23.851 11.654 1.00 0.00 H new ATOM 0 HD2 HIS A 82 65.653 21.956 9.680 1.00 0.00 H new ATOM 0 HE1 HIS A 82 64.213 21.938 13.670 1.00 0.00 H new ATOM 0 HE2 HIS A 82 63.950 20.912 11.354 1.00 0.00 H new ATOM 1355 N THR A 83 68.572 26.441 12.611 1.00 0.00 N ATOM 1356 CA THR A 83 69.006 27.015 13.878 1.00 0.00 C ATOM 1357 C THR A 83 68.489 28.440 14.042 1.00 0.00 C ATOM 1358 O THR A 83 68.251 28.899 15.159 1.00 0.00 O ATOM 1359 CB THR A 83 70.542 27.022 13.994 1.00 0.00 C ATOM 1360 OG1 THR A 83 71.063 25.724 13.686 1.00 0.00 O ATOM 1361 CG2 THR A 83 70.977 27.429 15.394 1.00 0.00 C ATOM 0 H THR A 83 69.313 26.341 11.918 1.00 0.00 H new ATOM 0 HA THR A 83 68.592 26.388 14.668 1.00 0.00 H new ATOM 0 HB THR A 83 70.934 27.749 13.283 1.00 0.00 H new ATOM 0 HG1 THR A 83 70.959 25.549 12.727 1.00 0.00 H new ATOM 0 HG21 THR A 83 72.065 27.427 15.452 1.00 0.00 H new ATOM 0 HG22 THR A 83 70.604 28.429 15.615 1.00 0.00 H new ATOM 0 HG23 THR A 83 70.574 26.723 16.120 1.00 0.00 H new ATOM 1369 N ALA A 84 68.316 29.135 12.922 1.00 0.00 N ATOM 1370 CA ALA A 84 67.824 30.506 12.942 1.00 0.00 C ATOM 1371 C ALA A 84 66.300 30.543 12.969 1.00 0.00 C ATOM 1372 O ALA A 84 65.698 31.603 13.134 1.00 0.00 O ATOM 1373 CB ALA A 84 68.351 31.274 11.739 1.00 0.00 C ATOM 0 H ALA A 84 68.510 28.770 11.989 1.00 0.00 H new ATOM 0 HA ALA A 84 68.189 30.983 13.852 1.00 0.00 H new ATOM 0 HB1 ALA A 84 67.975 32.297 11.767 1.00 0.00 H new ATOM 0 HB2 ALA A 84 69.441 31.287 11.764 1.00 0.00 H new ATOM 0 HB3 ALA A 84 68.015 30.789 10.822 1.00 0.00 H new ATOM 1379 N SER A 85 65.682 29.378 12.805 1.00 0.00 N ATOM 1380 CA SER A 85 64.227 29.277 12.805 1.00 0.00 C ATOM 1381 C SER A 85 63.724 28.691 14.121 1.00 0.00 C ATOM 1382 O SER A 85 62.651 29.054 14.605 1.00 0.00 O ATOM 1383 CB SER A 85 63.754 28.413 11.635 1.00 0.00 C ATOM 1384 OG SER A 85 62.436 28.759 11.246 1.00 0.00 O ATOM 0 H SER A 85 66.166 28.490 12.670 1.00 0.00 H new ATOM 0 HA SER A 85 63.818 30.281 12.694 1.00 0.00 H new ATOM 0 HB2 SER A 85 64.431 28.538 10.790 1.00 0.00 H new ATOM 0 HB3 SER A 85 63.789 27.361 11.918 1.00 0.00 H new ATOM 0 HG SER A 85 62.157 28.194 10.496 1.00 0.00 H new ATOM 1390 N ILE A 86 64.506 27.783 14.694 1.00 0.00 N ATOM 1391 CA ILE A 86 64.141 27.147 15.954 1.00 0.00 C ATOM 1392 C ILE A 86 63.878 28.186 17.039 1.00 0.00 C ATOM 1393 O ILE A 86 64.020 29.387 16.809 1.00 0.00 O ATOM 1394 CB ILE A 86 65.240 26.183 16.438 1.00 0.00 C ATOM 1395 CG1 ILE A 86 66.601 26.882 16.428 1.00 0.00 C ATOM 1396 CG2 ILE A 86 65.273 24.936 15.567 1.00 0.00 C ATOM 1397 CD1 ILE A 86 67.701 26.073 17.080 1.00 0.00 C ATOM 0 H ILE A 86 65.396 27.471 14.306 1.00 0.00 H new ATOM 0 HA ILE A 86 63.229 26.580 15.768 1.00 0.00 H new ATOM 0 HB ILE A 86 65.014 25.882 17.461 1.00 0.00 H new ATOM 0 HG12 ILE A 86 66.882 27.098 15.397 1.00 0.00 H new ATOM 0 HG13 ILE A 86 66.512 27.840 16.941 1.00 0.00 H new ATOM 0 HG21 ILE A 86 66.055 24.265 15.922 1.00 0.00 H new ATOM 0 HG22 ILE A 86 64.309 24.430 15.619 1.00 0.00 H new ATOM 0 HG23 ILE A 86 65.479 25.219 14.535 1.00 0.00 H new ATOM 0 HD11 ILE A 86 68.637 26.630 17.036 1.00 0.00 H new ATOM 0 HD12 ILE A 86 67.442 25.879 18.121 1.00 0.00 H new ATOM 0 HD13 ILE A 86 67.817 25.126 16.553 1.00 0.00 H new ATOM 1409 N ALA A 87 63.495 27.716 18.221 1.00 0.00 N ATOM 1410 CA ALA A 87 63.216 28.604 19.343 1.00 0.00 C ATOM 1411 C ALA A 87 64.396 29.531 19.615 1.00 0.00 C ATOM 1412 O ALA A 87 65.527 29.274 19.202 1.00 0.00 O ATOM 1413 CB ALA A 87 62.881 27.794 20.586 1.00 0.00 C ATOM 0 H ALA A 87 63.371 26.725 18.427 1.00 0.00 H new ATOM 0 HA ALA A 87 62.356 29.220 19.082 1.00 0.00 H new ATOM 0 HB1 ALA A 87 62.675 28.470 21.416 1.00 0.00 H new ATOM 0 HB2 ALA A 87 62.003 27.178 20.393 1.00 0.00 H new ATOM 0 HB3 ALA A 87 63.725 27.153 20.841 1.00 0.00 H new ATOM 1419 N PRO A 88 64.129 30.636 20.327 1.00 0.00 N ATOM 1420 CA PRO A 88 65.156 31.624 20.671 1.00 0.00 C ATOM 1421 C PRO A 88 66.156 31.090 21.691 1.00 0.00 C ATOM 1422 O PRO A 88 67.314 31.505 21.713 1.00 0.00 O ATOM 1423 CB PRO A 88 64.351 32.781 21.266 1.00 0.00 C ATOM 1424 CG PRO A 88 63.104 32.148 21.783 1.00 0.00 C ATOM 1425 CD PRO A 88 62.804 31.006 20.852 1.00 0.00 C ATOM 0 HA PRO A 88 65.756 31.906 19.806 1.00 0.00 H new ATOM 0 HB2 PRO A 88 64.903 33.278 22.064 1.00 0.00 H new ATOM 0 HB3 PRO A 88 64.129 33.537 20.513 1.00 0.00 H new ATOM 0 HG2 PRO A 88 63.241 31.793 22.805 1.00 0.00 H new ATOM 0 HG3 PRO A 88 62.282 32.863 21.801 1.00 0.00 H new ATOM 0 HD2 PRO A 88 62.333 30.174 21.375 1.00 0.00 H new ATOM 0 HD3 PRO A 88 62.125 31.306 20.054 1.00 0.00 H new ATOM 1433 N GLN A 89 65.700 30.168 22.532 1.00 0.00 N ATOM 1434 CA GLN A 89 66.556 29.578 23.555 1.00 0.00 C ATOM 1435 C GLN A 89 67.469 28.514 22.954 1.00 0.00 C ATOM 1436 O GLN A 89 68.559 28.259 23.463 1.00 0.00 O ATOM 1437 CB GLN A 89 65.707 28.967 24.671 1.00 0.00 C ATOM 1438 CG GLN A 89 64.502 29.812 25.051 1.00 0.00 C ATOM 1439 CD GLN A 89 63.861 29.365 26.350 1.00 0.00 C ATOM 1440 OE1 GLN A 89 64.269 28.367 26.945 1.00 0.00 O ATOM 1441 NE2 GLN A 89 62.852 30.103 26.797 1.00 0.00 N ATOM 0 H GLN A 89 64.744 29.813 22.526 1.00 0.00 H new ATOM 0 HA GLN A 89 67.177 30.370 23.973 1.00 0.00 H new ATOM 0 HB2 GLN A 89 65.364 27.981 24.357 1.00 0.00 H new ATOM 0 HB3 GLN A 89 66.331 28.822 25.553 1.00 0.00 H new ATOM 0 HG2 GLN A 89 64.808 30.854 25.141 1.00 0.00 H new ATOM 0 HG3 GLN A 89 63.763 29.765 24.251 1.00 0.00 H new ATOM 0 HE21 GLN A 89 62.547 30.922 26.271 1.00 0.00 H new ATOM 0 HE22 GLN A 89 62.382 29.851 27.666 1.00 0.00 H new ATOM 1450 N GLN A 90 67.014 27.896 21.868 1.00 0.00 N ATOM 1451 CA GLN A 90 67.790 26.859 21.198 1.00 0.00 C ATOM 1452 C GLN A 90 68.673 27.458 20.109 1.00 0.00 C ATOM 1453 O GLN A 90 69.349 26.735 19.377 1.00 0.00 O ATOM 1454 CB GLN A 90 66.860 25.806 20.596 1.00 0.00 C ATOM 1455 CG GLN A 90 65.911 25.182 21.607 1.00 0.00 C ATOM 1456 CD GLN A 90 66.630 24.325 22.630 1.00 0.00 C ATOM 1457 OE1 GLN A 90 66.798 24.723 23.783 1.00 0.00 O ATOM 1458 NE2 GLN A 90 67.058 23.139 22.213 1.00 0.00 N ATOM 0 H GLN A 90 66.113 28.095 21.434 1.00 0.00 H new ATOM 0 HA GLN A 90 68.432 26.384 21.940 1.00 0.00 H new ATOM 0 HB2 GLN A 90 66.277 26.263 19.797 1.00 0.00 H new ATOM 0 HB3 GLN A 90 67.462 25.019 20.141 1.00 0.00 H new ATOM 0 HG2 GLN A 90 65.363 25.972 22.121 1.00 0.00 H new ATOM 0 HG3 GLN A 90 65.175 24.573 21.081 1.00 0.00 H new ATOM 0 HE21 GLN A 90 66.897 22.849 21.248 1.00 0.00 H new ATOM 0 HE22 GLN A 90 67.547 22.518 22.857 1.00 0.00 H new ATOM 1467 N ARG A 91 68.662 28.783 20.006 1.00 0.00 N ATOM 1468 CA ARG A 91 69.461 29.479 19.005 1.00 0.00 C ATOM 1469 C ARG A 91 70.930 29.522 19.415 1.00 0.00 C ATOM 1470 O ARG A 91 71.470 30.587 19.715 1.00 0.00 O ATOM 1471 CB ARG A 91 68.935 30.901 18.800 1.00 0.00 C ATOM 1472 CG ARG A 91 67.812 30.994 17.781 1.00 0.00 C ATOM 1473 CD ARG A 91 67.920 32.261 16.947 1.00 0.00 C ATOM 1474 NE ARG A 91 66.754 33.125 17.111 1.00 0.00 N ATOM 1475 CZ ARG A 91 66.555 33.896 18.174 1.00 0.00 C ATOM 1476 NH1 ARG A 91 67.439 33.911 19.162 1.00 0.00 N ATOM 1477 NH2 ARG A 91 65.469 34.655 18.251 1.00 0.00 N ATOM 0 H ARG A 91 68.108 29.396 20.604 1.00 0.00 H new ATOM 0 HA ARG A 91 69.380 28.930 18.067 1.00 0.00 H new ATOM 0 HB2 ARG A 91 68.581 31.289 19.755 1.00 0.00 H new ATOM 0 HB3 ARG A 91 69.758 31.541 18.481 1.00 0.00 H new ATOM 0 HG2 ARG A 91 67.840 30.123 17.127 1.00 0.00 H new ATOM 0 HG3 ARG A 91 66.851 30.976 18.295 1.00 0.00 H new ATOM 0 HD2 ARG A 91 68.819 32.807 17.232 1.00 0.00 H new ATOM 0 HD3 ARG A 91 68.029 31.995 15.896 1.00 0.00 H new ATOM 0 HE ARG A 91 66.054 33.137 16.369 1.00 0.00 H new ATOM 0 HH11 ARG A 91 68.275 33.329 19.107 1.00 0.00 H new ATOM 0 HH12 ARG A 91 67.283 34.504 19.977 1.00 0.00 H new ATOM 0 HH21 ARG A 91 64.786 34.647 17.493 1.00 0.00 H new ATOM 0 HH22 ARG A 91 65.317 35.247 19.068 1.00 0.00 H new ATOM 1491 N ARG A 92 71.571 28.358 19.426 1.00 0.00 N ATOM 1492 CA ARG A 92 72.976 28.263 19.801 1.00 0.00 C ATOM 1493 C ARG A 92 73.875 28.365 18.572 1.00 0.00 C ATOM 1494 O ARG A 92 74.775 27.549 18.379 1.00 0.00 O ATOM 1495 CB ARG A 92 73.243 26.946 20.533 1.00 0.00 C ATOM 1496 CG ARG A 92 74.528 26.950 21.344 1.00 0.00 C ATOM 1497 CD ARG A 92 74.847 25.567 21.889 1.00 0.00 C ATOM 1498 NE ARG A 92 75.955 25.595 22.840 1.00 0.00 N ATOM 1499 CZ ARG A 92 75.869 26.132 24.052 1.00 0.00 C ATOM 1500 NH1 ARG A 92 74.734 26.682 24.458 1.00 0.00 N ATOM 1501 NH2 ARG A 92 76.922 26.119 24.861 1.00 0.00 N ATOM 0 H ARG A 92 71.139 27.467 19.179 1.00 0.00 H new ATOM 0 HA ARG A 92 73.205 29.094 20.468 1.00 0.00 H new ATOM 0 HB2 ARG A 92 72.405 26.733 21.197 1.00 0.00 H new ATOM 0 HB3 ARG A 92 73.286 26.137 19.804 1.00 0.00 H new ATOM 0 HG2 ARG A 92 75.352 27.295 20.720 1.00 0.00 H new ATOM 0 HG3 ARG A 92 74.436 27.655 22.170 1.00 0.00 H new ATOM 0 HD2 ARG A 92 73.962 25.156 22.375 1.00 0.00 H new ATOM 0 HD3 ARG A 92 75.095 24.900 21.063 1.00 0.00 H new ATOM 0 HE ARG A 92 76.843 25.180 22.558 1.00 0.00 H new ATOM 0 HH11 ARG A 92 73.923 26.694 23.839 1.00 0.00 H new ATOM 0 HH12 ARG A 92 74.671 27.093 25.389 1.00 0.00 H new ATOM 0 HH21 ARG A 92 77.797 25.697 24.552 1.00 0.00 H new ATOM 0 HH22 ARG A 92 76.855 26.531 25.791 1.00 0.00 H new ATOM 1515 N GLY A 93 73.623 29.374 17.743 1.00 0.00 N ATOM 1516 CA GLY A 93 74.417 29.563 16.543 1.00 0.00 C ATOM 1517 C GLY A 93 75.533 30.571 16.739 1.00 0.00 C ATOM 1518 O GLY A 93 75.801 30.999 17.861 1.00 0.00 O ATOM 0 H GLY A 93 72.884 30.063 17.881 1.00 0.00 H new ATOM 0 HA2 GLY A 93 74.844 28.607 16.239 1.00 0.00 H new ATOM 0 HA3 GLY A 93 73.770 29.895 15.731 1.00 0.00 H new ATOM 1522 N ALA A 94 76.185 30.949 15.645 1.00 0.00 N ATOM 1523 CA ALA A 94 77.278 31.912 15.702 1.00 0.00 C ATOM 1524 C ALA A 94 76.756 33.319 15.971 1.00 0.00 C ATOM 1525 O ALA A 94 75.579 33.620 15.767 1.00 0.00 O ATOM 1526 CB ALA A 94 78.076 31.882 14.407 1.00 0.00 C ATOM 0 H ALA A 94 75.976 30.603 14.709 1.00 0.00 H new ATOM 0 HA ALA A 94 77.934 31.632 16.526 1.00 0.00 H new ATOM 0 HB1 ALA A 94 78.889 32.606 14.464 1.00 0.00 H new ATOM 0 HB2 ALA A 94 78.489 30.884 14.257 1.00 0.00 H new ATOM 0 HB3 ALA A 94 77.423 32.134 13.571 1.00 0.00 H new ATOM 1532 N PRO A 95 77.649 34.204 16.440 1.00 0.00 N ATOM 1533 CA PRO A 95 77.300 35.594 16.746 1.00 0.00 C ATOM 1534 C PRO A 95 77.006 36.408 15.491 1.00 0.00 C ATOM 1535 O PRO A 95 77.852 37.168 15.020 1.00 0.00 O ATOM 1536 CB PRO A 95 78.551 36.127 17.449 1.00 0.00 C ATOM 1537 CG PRO A 95 79.663 35.275 16.940 1.00 0.00 C ATOM 1538 CD PRO A 95 79.068 33.914 16.706 1.00 0.00 C ATOM 0 HA PRO A 95 76.394 35.664 17.348 1.00 0.00 H new ATOM 0 HB2 PRO A 95 78.719 37.178 17.215 1.00 0.00 H new ATOM 0 HB3 PRO A 95 78.459 36.052 18.532 1.00 0.00 H new ATOM 0 HG2 PRO A 95 80.077 35.684 16.018 1.00 0.00 H new ATOM 0 HG3 PRO A 95 80.479 35.226 17.662 1.00 0.00 H new ATOM 0 HD2 PRO A 95 79.540 33.409 15.863 1.00 0.00 H new ATOM 0 HD3 PRO A 95 79.190 33.267 17.575 1.00 0.00 H new ATOM 1546 N VAL A 96 75.801 36.246 14.954 1.00 0.00 N ATOM 1547 CA VAL A 96 75.395 36.967 13.754 1.00 0.00 C ATOM 1548 C VAL A 96 74.162 37.825 14.019 1.00 0.00 C ATOM 1549 O VAL A 96 73.376 37.561 14.930 1.00 0.00 O ATOM 1550 CB VAL A 96 75.095 36.001 12.593 1.00 0.00 C ATOM 1551 CG1 VAL A 96 76.388 35.492 11.974 1.00 0.00 C ATOM 1552 CG2 VAL A 96 74.232 34.844 13.073 1.00 0.00 C ATOM 0 H VAL A 96 75.089 35.621 15.332 1.00 0.00 H new ATOM 0 HA VAL A 96 76.229 37.611 13.474 1.00 0.00 H new ATOM 0 HB VAL A 96 74.542 36.543 11.826 1.00 0.00 H new ATOM 0 HG11 VAL A 96 76.156 34.811 11.155 1.00 0.00 H new ATOM 0 HG12 VAL A 96 76.965 36.334 11.593 1.00 0.00 H new ATOM 0 HG13 VAL A 96 76.971 34.966 12.730 1.00 0.00 H new ATOM 0 HG21 VAL A 96 74.030 34.171 12.240 1.00 0.00 H new ATOM 0 HG22 VAL A 96 74.756 34.301 13.859 1.00 0.00 H new ATOM 0 HG23 VAL A 96 73.291 35.230 13.464 1.00 0.00 H new ATOM 1562 N PRO A 97 73.987 38.876 13.205 1.00 0.00 N ATOM 1563 CA PRO A 97 72.851 39.794 13.331 1.00 0.00 C ATOM 1564 C PRO A 97 71.531 39.141 12.932 1.00 0.00 C ATOM 1565 O PRO A 97 71.518 38.110 12.260 1.00 0.00 O ATOM 1566 CB PRO A 97 73.200 40.926 12.362 1.00 0.00 C ATOM 1567 CG PRO A 97 74.104 40.300 11.357 1.00 0.00 C ATOM 1568 CD PRO A 97 74.884 39.250 12.099 1.00 0.00 C ATOM 0 HA PRO A 97 72.706 40.124 14.360 1.00 0.00 H new ATOM 0 HB2 PRO A 97 72.306 41.333 11.890 1.00 0.00 H new ATOM 0 HB3 PRO A 97 73.692 41.751 12.878 1.00 0.00 H new ATOM 0 HG2 PRO A 97 73.533 39.858 10.540 1.00 0.00 H new ATOM 0 HG3 PRO A 97 74.770 41.042 10.915 1.00 0.00 H new ATOM 0 HD2 PRO A 97 75.114 38.396 11.462 1.00 0.00 H new ATOM 0 HD3 PRO A 97 75.834 39.639 12.466 1.00 0.00 H new ATOM 1576 N GLN A 98 70.426 39.748 13.351 1.00 0.00 N ATOM 1577 CA GLN A 98 69.102 39.224 13.037 1.00 0.00 C ATOM 1578 C GLN A 98 68.856 39.232 11.532 1.00 0.00 C ATOM 1579 O GLN A 98 68.149 38.373 11.005 1.00 0.00 O ATOM 1580 CB GLN A 98 68.024 40.046 13.746 1.00 0.00 C ATOM 1581 CG GLN A 98 67.959 39.800 15.245 1.00 0.00 C ATOM 1582 CD GLN A 98 66.732 40.418 15.885 1.00 0.00 C ATOM 1583 OE1 GLN A 98 65.697 40.586 15.238 1.00 0.00 O ATOM 1584 NE2 GLN A 98 66.840 40.761 17.163 1.00 0.00 N ATOM 0 H GLN A 98 70.421 40.602 13.908 1.00 0.00 H new ATOM 0 HA GLN A 98 69.054 38.194 13.389 1.00 0.00 H new ATOM 0 HB2 GLN A 98 68.210 41.105 13.568 1.00 0.00 H new ATOM 0 HB3 GLN A 98 67.054 39.815 13.306 1.00 0.00 H new ATOM 0 HG2 GLN A 98 67.961 38.726 15.434 1.00 0.00 H new ATOM 0 HG3 GLN A 98 68.854 40.208 15.715 1.00 0.00 H new ATOM 0 HE21 GLN A 98 67.716 40.604 17.661 1.00 0.00 H new ATOM 0 HE22 GLN A 98 66.047 41.182 17.647 1.00 0.00 H new ATOM 1593 N GLU A 99 69.444 40.207 10.846 1.00 0.00 N ATOM 1594 CA GLU A 99 69.287 40.326 9.401 1.00 0.00 C ATOM 1595 C GLU A 99 69.680 39.028 8.702 1.00 0.00 C ATOM 1596 O GLU A 99 68.989 38.564 7.794 1.00 0.00 O ATOM 1597 CB GLU A 99 70.135 41.482 8.868 1.00 0.00 C ATOM 1598 CG GLU A 99 71.609 41.369 9.219 1.00 0.00 C ATOM 1599 CD GLU A 99 72.244 42.715 9.513 1.00 0.00 C ATOM 1600 OE1 GLU A 99 71.704 43.452 10.364 1.00 0.00 O ATOM 1601 OE2 GLU A 99 73.280 43.029 8.892 1.00 0.00 O ATOM 0 H GLU A 99 70.033 40.925 11.267 1.00 0.00 H new ATOM 0 HA GLU A 99 68.237 40.528 9.191 1.00 0.00 H new ATOM 0 HB2 GLU A 99 70.031 41.528 7.784 1.00 0.00 H new ATOM 0 HB3 GLU A 99 69.747 42.420 9.265 1.00 0.00 H new ATOM 0 HG2 GLU A 99 71.723 40.720 10.087 1.00 0.00 H new ATOM 0 HG3 GLU A 99 72.140 40.894 8.394 1.00 0.00 H new ATOM 1608 N LEU A 100 70.795 38.446 9.131 1.00 0.00 N ATOM 1609 CA LEU A 100 71.282 37.201 8.547 1.00 0.00 C ATOM 1610 C LEU A 100 70.220 36.109 8.630 1.00 0.00 C ATOM 1611 O LEU A 100 70.023 35.347 7.682 1.00 0.00 O ATOM 1612 CB LEU A 100 72.556 36.744 9.260 1.00 0.00 C ATOM 1613 CG LEU A 100 73.873 37.058 8.548 1.00 0.00 C ATOM 1614 CD1 LEU A 100 73.930 36.357 7.200 1.00 0.00 C ATOM 1615 CD2 LEU A 100 74.042 38.560 8.378 1.00 0.00 C ATOM 0 H LEU A 100 71.379 38.816 9.881 1.00 0.00 H new ATOM 0 HA LEU A 100 71.507 37.385 7.496 1.00 0.00 H new ATOM 0 HB2 LEU A 100 72.581 37.205 10.247 1.00 0.00 H new ATOM 0 HB3 LEU A 100 72.496 35.666 9.413 1.00 0.00 H new ATOM 0 HG LEU A 100 74.694 36.688 9.162 1.00 0.00 H new ATOM 0 HD11 LEU A 100 74.874 36.592 6.708 1.00 0.00 H new ATOM 0 HD12 LEU A 100 73.855 35.280 7.347 1.00 0.00 H new ATOM 0 HD13 LEU A 100 73.102 36.697 6.578 1.00 0.00 H new ATOM 0 HD21 LEU A 100 74.984 38.765 7.870 1.00 0.00 H new ATOM 0 HD22 LEU A 100 73.217 38.954 7.785 1.00 0.00 H new ATOM 0 HD23 LEU A 100 74.046 39.039 9.357 1.00 0.00 H new ATOM 1627 N LEU A 101 69.538 36.040 9.767 1.00 0.00 N ATOM 1628 CA LEU A 101 68.493 35.042 9.973 1.00 0.00 C ATOM 1629 C LEU A 101 67.232 35.405 9.196 1.00 0.00 C ATOM 1630 O LEU A 101 66.428 34.537 8.857 1.00 0.00 O ATOM 1631 CB LEU A 101 68.169 34.915 11.463 1.00 0.00 C ATOM 1632 CG LEU A 101 69.336 34.535 12.374 1.00 0.00 C ATOM 1633 CD1 LEU A 101 70.413 33.805 11.586 1.00 0.00 C ATOM 1634 CD2 LEU A 101 69.912 35.772 13.048 1.00 0.00 C ATOM 0 H LEU A 101 69.689 36.663 10.561 1.00 0.00 H new ATOM 0 HA LEU A 101 68.861 34.085 9.604 1.00 0.00 H new ATOM 0 HB2 LEU A 101 67.760 35.865 11.807 1.00 0.00 H new ATOM 0 HB3 LEU A 101 67.384 34.168 11.581 1.00 0.00 H new ATOM 0 HG LEU A 101 68.963 33.864 13.148 1.00 0.00 H new ATOM 0 HD11 LEU A 101 71.236 33.543 12.251 1.00 0.00 H new ATOM 0 HD12 LEU A 101 69.994 32.897 11.152 1.00 0.00 H new ATOM 0 HD13 LEU A 101 70.782 34.451 10.790 1.00 0.00 H new ATOM 0 HD21 LEU A 101 70.742 35.482 13.693 1.00 0.00 H new ATOM 0 HD22 LEU A 101 70.269 36.468 12.288 1.00 0.00 H new ATOM 0 HD23 LEU A 101 69.139 36.254 13.646 1.00 0.00 H new ATOM 1646 N ASP A 102 67.068 36.693 8.914 1.00 0.00 N ATOM 1647 CA ASP A 102 65.906 37.171 8.173 1.00 0.00 C ATOM 1648 C ASP A 102 66.032 36.835 6.690 1.00 0.00 C ATOM 1649 O ASP A 102 65.043 36.514 6.030 1.00 0.00 O ATOM 1650 CB ASP A 102 65.745 38.681 8.354 1.00 0.00 C ATOM 1651 CG ASP A 102 64.425 39.192 7.811 1.00 0.00 C ATOM 1652 OD1 ASP A 102 64.346 39.453 6.593 1.00 0.00 O ATOM 1653 OD2 ASP A 102 63.471 39.331 8.605 1.00 0.00 O ATOM 0 H ASP A 102 67.724 37.424 9.187 1.00 0.00 H new ATOM 0 HA ASP A 102 65.022 36.669 8.568 1.00 0.00 H new ATOM 0 HB2 ASP A 102 65.818 38.927 9.413 1.00 0.00 H new ATOM 0 HB3 ASP A 102 66.565 39.194 7.850 1.00 0.00 H new ATOM 1658 N ARG A 103 67.254 36.911 6.173 1.00 0.00 N ATOM 1659 CA ARG A 103 67.508 36.618 4.767 1.00 0.00 C ATOM 1660 C ARG A 103 67.494 35.113 4.515 1.00 0.00 C ATOM 1661 O ARG A 103 66.932 34.644 3.526 1.00 0.00 O ATOM 1662 CB ARG A 103 68.853 37.206 4.337 1.00 0.00 C ATOM 1663 CG ARG A 103 70.012 36.791 5.228 1.00 0.00 C ATOM 1664 CD ARG A 103 71.339 37.302 4.689 1.00 0.00 C ATOM 1665 NE ARG A 103 71.760 38.534 5.350 1.00 0.00 N ATOM 1666 CZ ARG A 103 71.395 39.746 4.946 1.00 0.00 C ATOM 1667 NH1 ARG A 103 70.606 39.887 3.890 1.00 0.00 N ATOM 1668 NH2 ARG A 103 71.820 40.820 5.600 1.00 0.00 N ATOM 0 H ARG A 103 68.083 37.173 6.706 1.00 0.00 H new ATOM 0 HA ARG A 103 66.714 37.075 4.176 1.00 0.00 H new ATOM 0 HB2 ARG A 103 69.064 36.897 3.313 1.00 0.00 H new ATOM 0 HB3 ARG A 103 68.780 38.294 4.333 1.00 0.00 H new ATOM 0 HG2 ARG A 103 69.854 37.177 6.235 1.00 0.00 H new ATOM 0 HG3 ARG A 103 70.043 35.704 5.304 1.00 0.00 H new ATOM 0 HD2 ARG A 103 72.104 36.538 4.825 1.00 0.00 H new ATOM 0 HD3 ARG A 103 71.251 37.478 3.617 1.00 0.00 H new ATOM 0 HE ARG A 103 72.367 38.460 6.166 1.00 0.00 H new ATOM 0 HH11 ARG A 103 70.277 39.064 3.385 1.00 0.00 H new ATOM 0 HH12 ARG A 103 70.327 40.819 3.582 1.00 0.00 H new ATOM 0 HH21 ARG A 103 72.427 40.715 6.413 1.00 0.00 H new ATOM 0 HH22 ARG A 103 71.540 41.750 5.290 1.00 0.00 H new ATOM 1682 N VAL A 104 68.118 34.361 5.417 1.00 0.00 N ATOM 1683 CA VAL A 104 68.177 32.910 5.293 1.00 0.00 C ATOM 1684 C VAL A 104 66.797 32.287 5.464 1.00 0.00 C ATOM 1685 O VAL A 104 66.445 31.330 4.773 1.00 0.00 O ATOM 1686 CB VAL A 104 69.137 32.297 6.330 1.00 0.00 C ATOM 1687 CG1 VAL A 104 70.523 32.912 6.204 1.00 0.00 C ATOM 1688 CG2 VAL A 104 68.589 32.481 7.737 1.00 0.00 C ATOM 0 H VAL A 104 68.590 34.733 6.241 1.00 0.00 H new ATOM 0 HA VAL A 104 68.549 32.693 4.292 1.00 0.00 H new ATOM 0 HB VAL A 104 69.221 31.228 6.134 1.00 0.00 H new ATOM 0 HG11 VAL A 104 71.187 32.467 6.945 1.00 0.00 H new ATOM 0 HG12 VAL A 104 70.915 32.723 5.205 1.00 0.00 H new ATOM 0 HG13 VAL A 104 70.461 33.987 6.372 1.00 0.00 H new ATOM 0 HG21 VAL A 104 69.280 32.042 8.457 1.00 0.00 H new ATOM 0 HG22 VAL A 104 68.474 33.544 7.946 1.00 0.00 H new ATOM 0 HG23 VAL A 104 67.620 31.988 7.817 1.00 0.00 H new ATOM 1698 N LEU A 105 66.017 32.835 6.389 1.00 0.00 N ATOM 1699 CA LEU A 105 64.672 32.334 6.652 1.00 0.00 C ATOM 1700 C LEU A 105 63.728 32.681 5.505 1.00 0.00 C ATOM 1701 O LEU A 105 63.012 31.820 4.995 1.00 0.00 O ATOM 1702 CB LEU A 105 64.137 32.914 7.962 1.00 0.00 C ATOM 1703 CG LEU A 105 64.667 32.273 9.246 1.00 0.00 C ATOM 1704 CD1 LEU A 105 64.248 33.087 10.460 1.00 0.00 C ATOM 1705 CD2 LEU A 105 64.176 30.838 9.367 1.00 0.00 C ATOM 0 H LEU A 105 66.293 33.627 6.970 1.00 0.00 H new ATOM 0 HA LEU A 105 64.726 31.249 6.738 1.00 0.00 H new ATOM 0 HB2 LEU A 105 64.371 33.978 7.987 1.00 0.00 H new ATOM 0 HB3 LEU A 105 63.050 32.827 7.958 1.00 0.00 H new ATOM 0 HG LEU A 105 65.756 32.260 9.201 1.00 0.00 H new ATOM 0 HD11 LEU A 105 64.634 32.616 11.364 1.00 0.00 H new ATOM 0 HD12 LEU A 105 64.649 34.097 10.377 1.00 0.00 H new ATOM 0 HD13 LEU A 105 63.160 33.132 10.510 1.00 0.00 H new ATOM 0 HD21 LEU A 105 64.563 30.397 10.286 1.00 0.00 H new ATOM 0 HD22 LEU A 105 63.086 30.827 9.390 1.00 0.00 H new ATOM 0 HD23 LEU A 105 64.527 30.260 8.512 1.00 0.00 H new ATOM 1717 N ALA A 106 63.733 33.948 5.104 1.00 0.00 N ATOM 1718 CA ALA A 106 62.881 34.408 4.015 1.00 0.00 C ATOM 1719 C ALA A 106 63.142 33.614 2.740 1.00 0.00 C ATOM 1720 O ALA A 106 62.211 33.260 2.017 1.00 0.00 O ATOM 1721 CB ALA A 106 63.098 35.894 3.767 1.00 0.00 C ATOM 0 H ALA A 106 64.318 34.674 5.517 1.00 0.00 H new ATOM 0 HA ALA A 106 61.843 34.247 4.306 1.00 0.00 H new ATOM 0 HB1 ALA A 106 62.455 36.224 2.951 1.00 0.00 H new ATOM 0 HB2 ALA A 106 62.854 36.453 4.670 1.00 0.00 H new ATOM 0 HB3 ALA A 106 64.140 36.070 3.502 1.00 0.00 H new ATOM 1727 N ALA A 107 64.413 33.337 2.471 1.00 0.00 N ATOM 1728 CA ALA A 107 64.796 32.583 1.283 1.00 0.00 C ATOM 1729 C ALA A 107 64.334 31.133 1.381 1.00 0.00 C ATOM 1730 O ALA A 107 63.795 30.579 0.424 1.00 0.00 O ATOM 1731 CB ALA A 107 66.303 32.646 1.081 1.00 0.00 C ATOM 0 H ALA A 107 65.195 33.623 3.059 1.00 0.00 H new ATOM 0 HA ALA A 107 64.306 33.036 0.421 1.00 0.00 H new ATOM 0 HB1 ALA A 107 66.575 32.079 0.191 1.00 0.00 H new ATOM 0 HB2 ALA A 107 66.610 33.684 0.958 1.00 0.00 H new ATOM 0 HB3 ALA A 107 66.805 32.220 1.950 1.00 0.00 H new ATOM 1737 N GLN A 108 64.549 30.526 2.544 1.00 0.00 N ATOM 1738 CA GLN A 108 64.155 29.139 2.765 1.00 0.00 C ATOM 1739 C GLN A 108 62.680 28.934 2.437 1.00 0.00 C ATOM 1740 O GLN A 108 62.322 28.028 1.685 1.00 0.00 O ATOM 1741 CB GLN A 108 64.429 28.734 4.214 1.00 0.00 C ATOM 1742 CG GLN A 108 64.191 27.258 4.488 1.00 0.00 C ATOM 1743 CD GLN A 108 65.160 26.362 3.743 1.00 0.00 C ATOM 1744 OE1 GLN A 108 64.977 26.080 2.558 1.00 0.00 O ATOM 1745 NE2 GLN A 108 66.200 25.909 4.434 1.00 0.00 N ATOM 0 H GLN A 108 64.993 30.972 3.347 1.00 0.00 H new ATOM 0 HA GLN A 108 64.747 28.509 2.101 1.00 0.00 H new ATOM 0 HB2 GLN A 108 65.462 28.979 4.462 1.00 0.00 H new ATOM 0 HB3 GLN A 108 63.794 29.325 4.874 1.00 0.00 H new ATOM 0 HG2 GLN A 108 64.280 27.072 5.558 1.00 0.00 H new ATOM 0 HG3 GLN A 108 63.171 27.000 4.203 1.00 0.00 H new ATOM 0 HE21 GLN A 108 66.313 26.168 5.414 1.00 0.00 H new ATOM 0 HE22 GLN A 108 66.886 25.302 3.984 1.00 0.00 H new ATOM 1754 N ALA A 109 61.829 29.780 3.007 1.00 0.00 N ATOM 1755 CA ALA A 109 60.392 29.692 2.774 1.00 0.00 C ATOM 1756 C ALA A 109 60.053 29.988 1.317 1.00 0.00 C ATOM 1757 O ALA A 109 59.201 29.329 0.721 1.00 0.00 O ATOM 1758 CB ALA A 109 59.649 30.648 3.695 1.00 0.00 C ATOM 0 H ALA A 109 62.109 30.534 3.634 1.00 0.00 H new ATOM 0 HA ALA A 109 60.075 28.673 2.994 1.00 0.00 H new ATOM 0 HB1 ALA A 109 58.577 30.572 3.510 1.00 0.00 H new ATOM 0 HB2 ALA A 109 59.858 30.389 4.733 1.00 0.00 H new ATOM 0 HB3 ALA A 109 59.979 31.669 3.502 1.00 0.00 H new ATOM 1764 N TYR A 110 60.725 30.983 0.748 1.00 0.00 N ATOM 1765 CA TYR A 110 60.493 31.368 -0.639 1.00 0.00 C ATOM 1766 C TYR A 110 60.688 30.179 -1.574 1.00 0.00 C ATOM 1767 O TYR A 110 59.960 30.020 -2.554 1.00 0.00 O ATOM 1768 CB TYR A 110 61.433 32.506 -1.039 1.00 0.00 C ATOM 1769 CG TYR A 110 60.914 33.347 -2.183 1.00 0.00 C ATOM 1770 CD1 TYR A 110 60.049 34.410 -1.953 1.00 0.00 C ATOM 1771 CD2 TYR A 110 61.287 33.079 -3.494 1.00 0.00 C ATOM 1772 CE1 TYR A 110 59.572 35.181 -2.995 1.00 0.00 C ATOM 1773 CE2 TYR A 110 60.816 33.845 -4.542 1.00 0.00 C ATOM 1774 CZ TYR A 110 59.958 34.895 -4.288 1.00 0.00 C ATOM 1775 OH TYR A 110 59.485 35.660 -5.329 1.00 0.00 O ATOM 0 H TYR A 110 61.435 31.538 1.226 1.00 0.00 H new ATOM 0 HA TYR A 110 59.462 31.711 -0.727 1.00 0.00 H new ATOM 0 HB2 TYR A 110 61.601 33.148 -0.174 1.00 0.00 H new ATOM 0 HB3 TYR A 110 62.400 32.086 -1.317 1.00 0.00 H new ATOM 0 HD1 TYR A 110 59.744 34.637 -0.942 1.00 0.00 H new ATOM 0 HD2 TYR A 110 61.957 32.257 -3.697 1.00 0.00 H new ATOM 0 HE1 TYR A 110 58.900 36.004 -2.798 1.00 0.00 H new ATOM 0 HE2 TYR A 110 61.118 33.623 -5.555 1.00 0.00 H new ATOM 0 HH TYR A 110 59.854 35.327 -6.174 1.00 0.00 H new ATOM 1785 N TRP A 111 61.675 29.347 -1.264 1.00 0.00 N ATOM 1786 CA TRP A 111 61.967 28.171 -2.076 1.00 0.00 C ATOM 1787 C TRP A 111 61.298 26.929 -1.495 1.00 0.00 C ATOM 1788 O TRP A 111 61.528 25.814 -1.963 1.00 0.00 O ATOM 1789 CB TRP A 111 63.478 27.954 -2.172 1.00 0.00 C ATOM 1790 CG TRP A 111 64.190 29.053 -2.900 1.00 0.00 C ATOM 1791 CD1 TRP A 111 65.265 29.769 -2.455 1.00 0.00 C ATOM 1792 CD2 TRP A 111 63.878 29.561 -4.202 1.00 0.00 C ATOM 1793 NE1 TRP A 111 65.639 30.692 -3.402 1.00 0.00 N ATOM 1794 CE2 TRP A 111 64.804 30.585 -4.483 1.00 0.00 C ATOM 1795 CE3 TRP A 111 62.907 29.251 -5.158 1.00 0.00 C ATOM 1796 CZ2 TRP A 111 64.786 31.297 -5.679 1.00 0.00 C ATOM 1797 CZ3 TRP A 111 62.890 29.959 -6.344 1.00 0.00 C ATOM 1798 CH2 TRP A 111 63.824 30.972 -6.597 1.00 0.00 C ATOM 0 H TRP A 111 62.287 29.464 -0.456 1.00 0.00 H new ATOM 0 HA TRP A 111 61.568 28.342 -3.076 1.00 0.00 H new ATOM 0 HB2 TRP A 111 63.890 27.867 -1.167 1.00 0.00 H new ATOM 0 HB3 TRP A 111 63.671 27.008 -2.678 1.00 0.00 H new ATOM 0 HD1 TRP A 111 65.749 29.630 -1.500 1.00 0.00 H new ATOM 0 HE1 TRP A 111 66.413 31.350 -3.314 1.00 0.00 H new ATOM 0 HE3 TRP A 111 62.183 28.472 -4.973 1.00 0.00 H new ATOM 0 HZ2 TRP A 111 65.505 32.078 -5.876 1.00 0.00 H new ATOM 0 HZ3 TRP A 111 62.144 29.728 -7.089 1.00 0.00 H new ATOM 0 HH2 TRP A 111 63.784 31.507 -7.534 1.00 0.00 H new ATOM 1809 N SER A 112 60.471 27.130 -0.475 1.00 0.00 N ATOM 1810 CA SER A 112 59.772 26.026 0.171 1.00 0.00 C ATOM 1811 C SER A 112 58.260 26.195 0.051 1.00 0.00 C ATOM 1812 O SER A 112 57.756 27.312 -0.068 1.00 0.00 O ATOM 1813 CB SER A 112 60.171 25.935 1.645 1.00 0.00 C ATOM 1814 OG SER A 112 59.374 24.984 2.332 1.00 0.00 O ATOM 0 H SER A 112 60.268 28.047 -0.078 1.00 0.00 H new ATOM 0 HA SER A 112 60.058 25.103 -0.333 1.00 0.00 H new ATOM 0 HB2 SER A 112 61.222 25.658 1.724 1.00 0.00 H new ATOM 0 HB3 SER A 112 60.063 26.912 2.115 1.00 0.00 H new ATOM 0 HG SER A 112 59.650 24.944 3.271 1.00 0.00 H new