USER MOD reduce.3.24.130724 H: found=0, std=0, add=616, rem=0, adj=13 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= 0.0425 USER MOD Single : A 48 HIS : no HE2:sc= 0.177 K(o=0.18,f=-1.7) USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 LYS NZ :NH3+ -117:sc= -3.51! (180deg=-8.25!) USER MOD Single : A 69 THR OG1 : rot 180:sc= -0.678 USER MOD Single : A 70 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0646) USER MOD Single : A 76 LYS NZ :NH3+ 158:sc= 0.193 (180deg=0.0685) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 THR OG1 : rot 89:sc= 1.26 USER MOD Single : A 82 HIS : no HD1:sc= -0.329 X(o=-0.33,f=-0.0073) USER MOD Single : A 83 THR OG1 : rot 72:sc= 0.0221 USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 89 GLN : amide:sc=-0.00674 X(o=-0.0067,f=-0.08) USER MOD Single : A 90 GLN : amide:sc= -0.103 K(o=-0.1,f=-1.3!) USER MOD Single : A 98 GLN : amide:sc= -0.07 X(o=-0.07,f=0) USER MOD Single : A 108 GLN : amide:sc= -3.6! C(o=-3.6!,f=-8.9!) 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 80.093 30.523 10.171 1.00 0.00 N ATOM 527 CA PHE A 34 80.985 31.281 9.301 1.00 0.00 C ATOM 528 C PHE A 34 80.863 32.778 9.569 1.00 0.00 C ATOM 529 O PHE A 34 79.893 33.236 10.174 1.00 0.00 O ATOM 530 CB PHE A 34 80.670 30.987 7.832 1.00 0.00 C ATOM 531 CG PHE A 34 81.541 29.920 7.235 1.00 0.00 C ATOM 532 CD1 PHE A 34 82.010 28.873 8.013 1.00 0.00 C ATOM 533 CD2 PHE A 34 81.892 29.963 5.895 1.00 0.00 C ATOM 534 CE1 PHE A 34 82.812 27.889 7.466 1.00 0.00 C ATOM 535 CE2 PHE A 34 82.693 28.981 5.343 1.00 0.00 C ATOM 536 CZ PHE A 34 83.155 27.944 6.129 1.00 0.00 C ATOM 0 HA PHE A 34 82.009 30.974 9.515 1.00 0.00 H new ATOM 0 HB2 PHE A 34 79.627 30.684 7.746 1.00 0.00 H new ATOM 0 HB3 PHE A 34 80.784 31.904 7.254 1.00 0.00 H new ATOM 0 HD1 PHE A 34 81.746 28.826 9.059 1.00 0.00 H new ATOM 0 HD2 PHE A 34 81.536 30.773 5.275 1.00 0.00 H new ATOM 0 HE1 PHE A 34 83.170 27.078 8.083 1.00 0.00 H new ATOM 0 HE2 PHE A 34 82.958 29.025 4.297 1.00 0.00 H new ATOM 0 HZ PHE A 34 83.783 27.178 5.699 1.00 0.00 H new ATOM 546 N THR A 35 81.855 33.538 9.114 1.00 0.00 N ATOM 547 CA THR A 35 81.861 34.982 9.305 1.00 0.00 C ATOM 548 C THR A 35 80.678 35.636 8.600 1.00 0.00 C ATOM 549 O THR A 35 80.046 35.029 7.734 1.00 0.00 O ATOM 550 CB THR A 35 83.167 35.613 8.784 1.00 0.00 C ATOM 551 OG1 THR A 35 84.249 34.686 8.926 1.00 0.00 O ATOM 552 CG2 THR A 35 83.488 36.894 9.538 1.00 0.00 C ATOM 0 H THR A 35 82.665 33.176 8.610 1.00 0.00 H new ATOM 0 HA THR A 35 81.783 35.158 10.378 1.00 0.00 H new ATOM 0 HB THR A 35 83.032 35.855 7.730 1.00 0.00 H new ATOM 0 HG1 THR A 35 85.075 35.094 8.591 1.00 0.00 H new ATOM 0 HG21 THR A 35 84.414 37.321 9.153 1.00 0.00 H new ATOM 0 HG22 THR A 35 82.676 37.608 9.404 1.00 0.00 H new ATOM 0 HG23 THR A 35 83.605 36.672 10.599 1.00 0.00 H new ATOM 560 N VAL A 36 80.383 36.876 8.974 1.00 0.00 N ATOM 561 CA VAL A 36 79.276 37.613 8.376 1.00 0.00 C ATOM 562 C VAL A 36 79.437 37.713 6.863 1.00 0.00 C ATOM 563 O VAL A 36 78.465 37.601 6.117 1.00 0.00 O ATOM 564 CB VAL A 36 79.163 39.032 8.964 1.00 0.00 C ATOM 565 CG1 VAL A 36 80.483 39.775 8.824 1.00 0.00 C ATOM 566 CG2 VAL A 36 78.036 39.800 8.289 1.00 0.00 C ATOM 0 H VAL A 36 80.895 37.392 9.689 1.00 0.00 H new ATOM 0 HA VAL A 36 78.366 37.059 8.606 1.00 0.00 H new ATOM 0 HB VAL A 36 78.931 38.949 10.026 1.00 0.00 H new ATOM 0 HG11 VAL A 36 80.384 40.776 9.245 1.00 0.00 H new ATOM 0 HG12 VAL A 36 81.264 39.233 9.357 1.00 0.00 H new ATOM 0 HG13 VAL A 36 80.748 39.850 7.769 1.00 0.00 H new ATOM 0 HG21 VAL A 36 77.970 40.800 8.717 1.00 0.00 H new ATOM 0 HG22 VAL A 36 78.236 39.875 7.220 1.00 0.00 H new ATOM 0 HG23 VAL A 36 77.093 39.276 8.446 1.00 0.00 H new ATOM 576 N ALA A 37 80.671 37.924 6.417 1.00 0.00 N ATOM 577 CA ALA A 37 80.960 38.036 4.993 1.00 0.00 C ATOM 578 C ALA A 37 80.872 36.678 4.306 1.00 0.00 C ATOM 579 O ALA A 37 80.224 36.538 3.269 1.00 0.00 O ATOM 580 CB ALA A 37 82.336 38.649 4.780 1.00 0.00 C ATOM 0 H ALA A 37 81.487 38.021 7.022 1.00 0.00 H new ATOM 0 HA ALA A 37 80.210 38.689 4.546 1.00 0.00 H new ATOM 0 HB1 ALA A 37 82.538 38.727 3.712 1.00 0.00 H new ATOM 0 HB2 ALA A 37 82.365 39.642 5.228 1.00 0.00 H new ATOM 0 HB3 ALA A 37 83.092 38.018 5.248 1.00 0.00 H new ATOM 586 N GLU A 38 81.527 35.680 4.891 1.00 0.00 N ATOM 587 CA GLU A 38 81.523 34.333 4.333 1.00 0.00 C ATOM 588 C GLU A 38 80.100 33.791 4.231 1.00 0.00 C ATOM 589 O GLU A 38 79.703 33.249 3.199 1.00 0.00 O ATOM 590 CB GLU A 38 82.377 33.398 5.192 1.00 0.00 C ATOM 591 CG GLU A 38 83.787 33.911 5.432 1.00 0.00 C ATOM 592 CD GLU A 38 84.640 33.881 4.179 1.00 0.00 C ATOM 593 OE1 GLU A 38 84.485 34.785 3.333 1.00 0.00 O ATOM 594 OE2 GLU A 38 85.464 32.951 4.046 1.00 0.00 O ATOM 0 H GLU A 38 82.067 35.779 5.751 1.00 0.00 H new ATOM 0 HA GLU A 38 81.948 34.381 3.330 1.00 0.00 H new ATOM 0 HB2 GLU A 38 81.885 33.250 6.153 1.00 0.00 H new ATOM 0 HB3 GLU A 38 82.432 32.423 4.709 1.00 0.00 H new ATOM 0 HG2 GLU A 38 83.739 34.932 5.810 1.00 0.00 H new ATOM 0 HG3 GLU A 38 84.262 33.307 6.205 1.00 0.00 H new ATOM 601 N VAL A 39 79.338 33.940 5.310 1.00 0.00 N ATOM 602 CA VAL A 39 77.960 33.466 5.343 1.00 0.00 C ATOM 603 C VAL A 39 77.096 34.216 4.335 1.00 0.00 C ATOM 604 O VAL A 39 76.331 33.610 3.586 1.00 0.00 O ATOM 605 CB VAL A 39 77.345 33.624 6.747 1.00 0.00 C ATOM 606 CG1 VAL A 39 75.839 33.417 6.697 1.00 0.00 C ATOM 607 CG2 VAL A 39 77.994 32.655 7.724 1.00 0.00 C ATOM 0 H VAL A 39 79.652 34.385 6.172 1.00 0.00 H new ATOM 0 HA VAL A 39 77.983 32.408 5.081 1.00 0.00 H new ATOM 0 HB VAL A 39 77.536 34.639 7.097 1.00 0.00 H new ATOM 0 HG11 VAL A 39 75.422 33.532 7.698 1.00 0.00 H new ATOM 0 HG12 VAL A 39 75.392 34.155 6.031 1.00 0.00 H new ATOM 0 HG13 VAL A 39 75.622 32.415 6.327 1.00 0.00 H new ATOM 0 HG21 VAL A 39 77.548 32.780 8.711 1.00 0.00 H new ATOM 0 HG22 VAL A 39 77.836 31.632 7.381 1.00 0.00 H new ATOM 0 HG23 VAL A 39 79.064 32.858 7.781 1.00 0.00 H new ATOM 617 N GLU A 40 77.226 35.539 4.322 1.00 0.00 N ATOM 618 CA GLU A 40 76.456 36.372 3.405 1.00 0.00 C ATOM 619 C GLU A 40 76.629 35.899 1.965 1.00 0.00 C ATOM 620 O GLU A 40 75.662 35.818 1.206 1.00 0.00 O ATOM 621 CB GLU A 40 76.886 37.836 3.528 1.00 0.00 C ATOM 622 CG GLU A 40 76.144 38.599 4.611 1.00 0.00 C ATOM 623 CD GLU A 40 76.761 39.954 4.897 1.00 0.00 C ATOM 624 OE1 GLU A 40 77.737 40.319 4.208 1.00 0.00 O ATOM 625 OE2 GLU A 40 76.270 40.650 5.810 1.00 0.00 O ATOM 0 H GLU A 40 77.856 36.056 4.935 1.00 0.00 H new ATOM 0 HA GLU A 40 75.403 36.286 3.673 1.00 0.00 H new ATOM 0 HB2 GLU A 40 77.955 37.876 3.735 1.00 0.00 H new ATOM 0 HB3 GLU A 40 76.728 38.334 2.571 1.00 0.00 H new ATOM 0 HG2 GLU A 40 75.105 38.733 4.309 1.00 0.00 H new ATOM 0 HG3 GLU A 40 76.136 38.007 5.526 1.00 0.00 H new ATOM 632 N LEU A 41 77.866 35.588 1.595 1.00 0.00 N ATOM 633 CA LEU A 41 78.167 35.123 0.245 1.00 0.00 C ATOM 634 C LEU A 41 77.525 33.765 -0.019 1.00 0.00 C ATOM 635 O LEU A 41 76.894 33.555 -1.055 1.00 0.00 O ATOM 636 CB LEU A 41 79.680 35.033 0.041 1.00 0.00 C ATOM 637 CG LEU A 41 80.443 36.358 0.081 1.00 0.00 C ATOM 638 CD1 LEU A 41 81.903 36.123 0.433 1.00 0.00 C ATOM 639 CD2 LEU A 41 80.323 37.083 -1.252 1.00 0.00 C ATOM 0 H LEU A 41 78.677 35.649 2.210 1.00 0.00 H new ATOM 0 HA LEU A 41 77.754 35.843 -0.461 1.00 0.00 H new ATOM 0 HB2 LEU A 41 80.091 34.377 0.808 1.00 0.00 H new ATOM 0 HB3 LEU A 41 79.869 34.557 -0.921 1.00 0.00 H new ATOM 0 HG LEU A 41 80.001 36.986 0.854 1.00 0.00 H new ATOM 0 HD11 LEU A 41 82.430 37.077 0.457 1.00 0.00 H new ATOM 0 HD12 LEU A 41 81.969 35.647 1.412 1.00 0.00 H new ATOM 0 HD13 LEU A 41 82.358 35.476 -0.317 1.00 0.00 H new ATOM 0 HD21 LEU A 41 80.872 38.024 -1.205 1.00 0.00 H new ATOM 0 HD22 LEU A 41 80.738 36.460 -2.044 1.00 0.00 H new ATOM 0 HD23 LEU A 41 79.273 37.286 -1.463 1.00 0.00 H new ATOM 651 N LEU A 42 77.689 32.846 0.926 1.00 0.00 N ATOM 652 CA LEU A 42 77.124 31.507 0.798 1.00 0.00 C ATOM 653 C LEU A 42 75.611 31.571 0.612 1.00 0.00 C ATOM 654 O LEU A 42 75.085 31.161 -0.423 1.00 0.00 O ATOM 655 CB LEU A 42 77.462 30.668 2.032 1.00 0.00 C ATOM 656 CG LEU A 42 76.844 29.271 2.083 1.00 0.00 C ATOM 657 CD1 LEU A 42 75.443 29.328 2.670 1.00 0.00 C ATOM 658 CD2 LEU A 42 76.818 28.648 0.695 1.00 0.00 C ATOM 0 H LEU A 42 78.209 33.003 1.789 1.00 0.00 H new ATOM 0 HA LEU A 42 77.561 31.038 -0.083 1.00 0.00 H new ATOM 0 HB2 LEU A 42 78.546 30.567 2.092 1.00 0.00 H new ATOM 0 HB3 LEU A 42 77.144 31.217 2.918 1.00 0.00 H new ATOM 0 HG LEU A 42 77.461 28.646 2.728 1.00 0.00 H new ATOM 0 HD11 LEU A 42 75.019 28.324 2.698 1.00 0.00 H new ATOM 0 HD12 LEU A 42 75.489 29.731 3.682 1.00 0.00 H new ATOM 0 HD13 LEU A 42 74.815 29.970 2.052 1.00 0.00 H new ATOM 0 HD21 LEU A 42 76.375 27.654 0.751 1.00 0.00 H new ATOM 0 HD22 LEU A 42 76.225 29.273 0.027 1.00 0.00 H new ATOM 0 HD23 LEU A 42 77.835 28.571 0.312 1.00 0.00 H new ATOM 670 N VAL A 43 74.917 32.089 1.620 1.00 0.00 N ATOM 671 CA VAL A 43 73.465 32.210 1.566 1.00 0.00 C ATOM 672 C VAL A 43 73.020 32.935 0.302 1.00 0.00 C ATOM 673 O VAL A 43 72.007 32.585 -0.303 1.00 0.00 O ATOM 674 CB VAL A 43 72.918 32.960 2.795 1.00 0.00 C ATOM 675 CG1 VAL A 43 71.398 33.008 2.760 1.00 0.00 C ATOM 676 CG2 VAL A 43 73.410 32.309 4.079 1.00 0.00 C ATOM 0 H VAL A 43 75.337 32.432 2.484 1.00 0.00 H new ATOM 0 HA VAL A 43 73.063 31.197 1.560 1.00 0.00 H new ATOM 0 HB VAL A 43 73.290 33.984 2.768 1.00 0.00 H new ATOM 0 HG11 VAL A 43 71.031 33.542 3.636 1.00 0.00 H new ATOM 0 HG12 VAL A 43 71.071 33.524 1.857 1.00 0.00 H new ATOM 0 HG13 VAL A 43 71.002 31.993 2.761 1.00 0.00 H new ATOM 0 HG21 VAL A 43 73.014 32.852 4.937 1.00 0.00 H new ATOM 0 HG22 VAL A 43 73.070 31.274 4.116 1.00 0.00 H new ATOM 0 HG23 VAL A 43 74.499 32.334 4.105 1.00 0.00 H new ATOM 686 N GLU A 44 73.785 33.948 -0.093 1.00 0.00 N ATOM 687 CA GLU A 44 73.468 34.724 -1.287 1.00 0.00 C ATOM 688 C GLU A 44 73.612 33.871 -2.544 1.00 0.00 C ATOM 689 O GLU A 44 72.911 34.081 -3.533 1.00 0.00 O ATOM 690 CB GLU A 44 74.380 35.949 -1.382 1.00 0.00 C ATOM 691 CG GLU A 44 74.083 36.837 -2.579 1.00 0.00 C ATOM 692 CD GLU A 44 74.417 38.293 -2.323 1.00 0.00 C ATOM 693 OE1 GLU A 44 75.596 38.670 -2.493 1.00 0.00 O ATOM 694 OE2 GLU A 44 73.501 39.057 -1.952 1.00 0.00 O ATOM 0 H GLU A 44 74.628 34.250 0.396 1.00 0.00 H new ATOM 0 HA GLU A 44 72.432 35.055 -1.210 1.00 0.00 H new ATOM 0 HB2 GLU A 44 74.280 36.537 -0.470 1.00 0.00 H new ATOM 0 HB3 GLU A 44 75.417 35.617 -1.435 1.00 0.00 H new ATOM 0 HG2 GLU A 44 74.652 36.483 -3.439 1.00 0.00 H new ATOM 0 HG3 GLU A 44 73.028 36.750 -2.838 1.00 0.00 H new ATOM 701 N ALA A 45 74.526 32.907 -2.496 1.00 0.00 N ATOM 702 CA ALA A 45 74.761 32.021 -3.630 1.00 0.00 C ATOM 703 C ALA A 45 73.643 30.994 -3.764 1.00 0.00 C ATOM 704 O ALA A 45 73.071 30.820 -4.841 1.00 0.00 O ATOM 705 CB ALA A 45 76.106 31.324 -3.484 1.00 0.00 C ATOM 0 H ALA A 45 75.115 32.720 -1.685 1.00 0.00 H new ATOM 0 HA ALA A 45 74.774 32.626 -4.537 1.00 0.00 H new ATOM 0 HB1 ALA A 45 76.269 30.665 -4.337 1.00 0.00 H new ATOM 0 HB2 ALA A 45 76.900 32.070 -3.444 1.00 0.00 H new ATOM 0 HB3 ALA A 45 76.114 30.737 -2.566 1.00 0.00 H new ATOM 711 N VAL A 46 73.335 30.313 -2.665 1.00 0.00 N ATOM 712 CA VAL A 46 72.284 29.303 -2.660 1.00 0.00 C ATOM 713 C VAL A 46 70.907 29.942 -2.795 1.00 0.00 C ATOM 714 O VAL A 46 69.984 29.340 -3.343 1.00 0.00 O ATOM 715 CB VAL A 46 72.322 28.459 -1.372 1.00 0.00 C ATOM 716 CG1 VAL A 46 72.696 29.324 -0.178 1.00 0.00 C ATOM 717 CG2 VAL A 46 70.984 27.772 -1.145 1.00 0.00 C ATOM 0 H VAL A 46 73.799 30.443 -1.766 1.00 0.00 H new ATOM 0 HA VAL A 46 72.466 28.654 -3.516 1.00 0.00 H new ATOM 0 HB VAL A 46 73.085 27.689 -1.486 1.00 0.00 H new ATOM 0 HG11 VAL A 46 72.718 28.711 0.723 1.00 0.00 H new ATOM 0 HG12 VAL A 46 73.680 29.764 -0.341 1.00 0.00 H new ATOM 0 HG13 VAL A 46 71.959 30.118 -0.059 1.00 0.00 H new ATOM 0 HG21 VAL A 46 71.029 27.180 -0.231 1.00 0.00 H new ATOM 0 HG22 VAL A 46 70.200 28.524 -1.052 1.00 0.00 H new ATOM 0 HG23 VAL A 46 70.762 27.119 -1.989 1.00 0.00 H new ATOM 727 N GLU A 47 70.776 31.165 -2.292 1.00 0.00 N ATOM 728 CA GLU A 47 69.510 31.886 -2.356 1.00 0.00 C ATOM 729 C GLU A 47 69.212 32.335 -3.784 1.00 0.00 C ATOM 730 O GLU A 47 68.115 32.116 -4.300 1.00 0.00 O ATOM 731 CB GLU A 47 69.539 33.098 -1.424 1.00 0.00 C ATOM 732 CG GLU A 47 68.297 33.969 -1.518 1.00 0.00 C ATOM 733 CD GLU A 47 68.411 35.034 -2.591 1.00 0.00 C ATOM 734 OE1 GLU A 47 69.261 35.937 -2.444 1.00 0.00 O ATOM 735 OE2 GLU A 47 67.649 34.964 -3.578 1.00 0.00 O ATOM 0 H GLU A 47 71.531 31.677 -1.836 1.00 0.00 H new ATOM 0 HA GLU A 47 68.719 31.209 -2.033 1.00 0.00 H new ATOM 0 HB2 GLU A 47 69.653 32.753 -0.396 1.00 0.00 H new ATOM 0 HB3 GLU A 47 70.415 33.703 -1.656 1.00 0.00 H new ATOM 0 HG2 GLU A 47 67.432 33.340 -1.726 1.00 0.00 H new ATOM 0 HG3 GLU A 47 68.119 34.447 -0.555 1.00 0.00 H new ATOM 742 N HIS A 48 70.196 32.966 -4.417 1.00 0.00 N ATOM 743 CA HIS A 48 70.040 33.447 -5.785 1.00 0.00 C ATOM 744 C HIS A 48 69.631 32.310 -6.718 1.00 0.00 C ATOM 745 O HIS A 48 69.011 32.538 -7.757 1.00 0.00 O ATOM 746 CB HIS A 48 71.341 34.082 -6.276 1.00 0.00 C ATOM 747 CG HIS A 48 71.150 35.039 -7.412 1.00 0.00 C ATOM 748 ND1 HIS A 48 69.971 35.139 -8.121 1.00 0.00 N ATOM 749 CD2 HIS A 48 71.995 35.943 -7.961 1.00 0.00 C ATOM 750 CE1 HIS A 48 70.100 36.062 -9.057 1.00 0.00 C ATOM 751 NE2 HIS A 48 71.319 36.566 -8.981 1.00 0.00 N ATOM 0 H HIS A 48 71.109 33.156 -4.005 1.00 0.00 H new ATOM 0 HA HIS A 48 69.252 34.200 -5.791 1.00 0.00 H new ATOM 0 HB2 HIS A 48 71.815 34.606 -5.446 1.00 0.00 H new ATOM 0 HB3 HIS A 48 72.025 33.293 -6.588 1.00 0.00 H new ATOM 0 HD1 HIS A 48 69.131 34.587 -7.949 1.00 0.00 H new ATOM 0 HD2 HIS A 48 73.012 36.138 -7.654 1.00 0.00 H new ATOM 0 HE1 HIS A 48 69.338 36.355 -9.764 1.00 0.00 H new ATOM 759 N LEU A 49 69.984 31.086 -6.340 1.00 0.00 N ATOM 760 CA LEU A 49 69.655 29.913 -7.143 1.00 0.00 C ATOM 761 C LEU A 49 68.533 29.107 -6.495 1.00 0.00 C ATOM 762 O LEU A 49 68.013 28.162 -7.086 1.00 0.00 O ATOM 763 CB LEU A 49 70.892 29.032 -7.325 1.00 0.00 C ATOM 764 CG LEU A 49 72.117 29.714 -7.935 1.00 0.00 C ATOM 765 CD1 LEU A 49 73.306 28.765 -7.946 1.00 0.00 C ATOM 766 CD2 LEU A 49 71.810 30.202 -9.344 1.00 0.00 C ATOM 0 H LEU A 49 70.498 30.880 -5.483 1.00 0.00 H new ATOM 0 HA LEU A 49 69.314 30.256 -8.120 1.00 0.00 H new ATOM 0 HB2 LEU A 49 71.172 28.628 -6.352 1.00 0.00 H new ATOM 0 HB3 LEU A 49 70.621 28.185 -7.955 1.00 0.00 H new ATOM 0 HG LEU A 49 72.372 30.577 -7.320 1.00 0.00 H new ATOM 0 HD11 LEU A 49 74.169 29.268 -8.384 1.00 0.00 H new ATOM 0 HD12 LEU A 49 73.541 28.464 -6.925 1.00 0.00 H new ATOM 0 HD13 LEU A 49 73.062 27.883 -8.537 1.00 0.00 H new ATOM 0 HD21 LEU A 49 72.693 30.685 -9.762 1.00 0.00 H new ATOM 0 HD22 LEU A 49 71.529 29.355 -9.969 1.00 0.00 H new ATOM 0 HD23 LEU A 49 70.988 30.917 -9.310 1.00 0.00 H new ATOM 778 N GLY A 50 68.165 29.490 -5.276 1.00 0.00 N ATOM 779 CA GLY A 50 67.106 28.794 -4.568 1.00 0.00 C ATOM 780 C GLY A 50 67.470 27.358 -4.246 1.00 0.00 C ATOM 781 O GLY A 50 68.472 27.098 -3.578 1.00 0.00 O ATOM 0 H GLY A 50 68.581 30.269 -4.766 1.00 0.00 H new ATOM 0 HA2 GLY A 50 66.882 29.325 -3.643 1.00 0.00 H new ATOM 0 HA3 GLY A 50 66.199 28.809 -5.172 1.00 0.00 H new ATOM 785 N THR A 51 66.655 26.421 -4.721 1.00 0.00 N ATOM 786 CA THR A 51 66.895 25.004 -4.478 1.00 0.00 C ATOM 787 C THR A 51 67.257 24.278 -5.769 1.00 0.00 C ATOM 788 O THR A 51 66.459 23.510 -6.305 1.00 0.00 O ATOM 789 CB THR A 51 65.664 24.326 -3.849 1.00 0.00 C ATOM 790 OG1 THR A 51 65.223 25.072 -2.709 1.00 0.00 O ATOM 791 CG2 THR A 51 65.986 22.898 -3.433 1.00 0.00 C ATOM 0 H THR A 51 65.823 26.618 -5.276 1.00 0.00 H new ATOM 0 HA THR A 51 67.731 24.940 -3.782 1.00 0.00 H new ATOM 0 HB THR A 51 64.870 24.300 -4.595 1.00 0.00 H new ATOM 0 HG1 THR A 51 64.439 24.635 -2.316 1.00 0.00 H new ATOM 0 HG21 THR A 51 65.101 22.439 -2.991 1.00 0.00 H new ATOM 0 HG22 THR A 51 66.294 22.325 -4.308 1.00 0.00 H new ATOM 0 HG23 THR A 51 66.794 22.906 -2.702 1.00 0.00 H new ATOM 799 N GLY A 52 68.466 24.527 -6.264 1.00 0.00 N ATOM 800 CA GLY A 52 68.912 23.888 -7.488 1.00 0.00 C ATOM 801 C GLY A 52 70.030 22.893 -7.249 1.00 0.00 C ATOM 802 O GLY A 52 69.996 22.132 -6.282 1.00 0.00 O ATOM 0 H GLY A 52 69.144 25.160 -5.839 1.00 0.00 H new ATOM 0 HA2 GLY A 52 68.070 23.378 -7.956 1.00 0.00 H new ATOM 0 HA3 GLY A 52 69.252 24.650 -8.189 1.00 0.00 H new ATOM 806 N ARG A 53 71.022 22.896 -8.133 1.00 0.00 N ATOM 807 CA ARG A 53 72.154 21.985 -8.015 1.00 0.00 C ATOM 808 C ARG A 53 73.260 22.600 -7.162 1.00 0.00 C ATOM 809 O ARG A 53 73.642 23.754 -7.361 1.00 0.00 O ATOM 810 CB ARG A 53 72.699 21.633 -9.400 1.00 0.00 C ATOM 811 CG ARG A 53 71.809 20.678 -10.180 1.00 0.00 C ATOM 812 CD ARG A 53 72.220 20.603 -11.642 1.00 0.00 C ATOM 813 NE ARG A 53 71.433 19.620 -12.382 1.00 0.00 N ATOM 814 CZ ARG A 53 71.657 18.312 -12.332 1.00 0.00 C ATOM 815 NH1 ARG A 53 72.639 17.832 -11.582 1.00 0.00 N ATOM 816 NH2 ARG A 53 70.898 17.480 -13.034 1.00 0.00 N ATOM 0 H ARG A 53 71.065 23.519 -8.939 1.00 0.00 H new ATOM 0 HA ARG A 53 71.806 21.074 -7.527 1.00 0.00 H new ATOM 0 HB2 ARG A 53 72.826 22.550 -9.975 1.00 0.00 H new ATOM 0 HB3 ARG A 53 73.687 21.187 -9.290 1.00 0.00 H new ATOM 0 HG2 ARG A 53 71.861 19.684 -9.735 1.00 0.00 H new ATOM 0 HG3 ARG A 53 70.772 21.005 -10.109 1.00 0.00 H new ATOM 0 HD2 ARG A 53 72.101 21.584 -12.103 1.00 0.00 H new ATOM 0 HD3 ARG A 53 73.277 20.346 -11.709 1.00 0.00 H new ATOM 0 HE ARG A 53 70.670 19.956 -12.969 1.00 0.00 H new ATOM 0 HH11 ARG A 53 73.225 18.468 -11.041 1.00 0.00 H new ATOM 0 HH12 ARG A 53 72.808 16.827 -11.546 1.00 0.00 H new ATOM 0 HH21 ARG A 53 70.142 17.845 -13.613 1.00 0.00 H new ATOM 0 HH22 ARG A 53 71.071 16.476 -12.995 1.00 0.00 H new ATOM 830 N TRP A 54 73.770 21.823 -6.214 1.00 0.00 N ATOM 831 CA TRP A 54 74.832 22.291 -5.331 1.00 0.00 C ATOM 832 C TRP A 54 76.009 22.833 -6.135 1.00 0.00 C ATOM 833 O TRP A 54 76.746 23.700 -5.666 1.00 0.00 O ATOM 834 CB TRP A 54 75.301 21.158 -4.418 1.00 0.00 C ATOM 835 CG TRP A 54 75.478 19.853 -5.133 1.00 0.00 C ATOM 836 CD1 TRP A 54 76.408 19.562 -6.090 1.00 0.00 C ATOM 837 CD2 TRP A 54 74.702 18.663 -4.950 1.00 0.00 C ATOM 838 NE1 TRP A 54 76.257 18.263 -6.513 1.00 0.00 N ATOM 839 CE2 TRP A 54 75.218 17.690 -5.828 1.00 0.00 C ATOM 840 CE3 TRP A 54 73.623 18.325 -4.129 1.00 0.00 C ATOM 841 CZ2 TRP A 54 74.690 16.404 -5.907 1.00 0.00 C ATOM 842 CZ3 TRP A 54 73.100 17.048 -4.208 1.00 0.00 C ATOM 843 CH2 TRP A 54 73.634 16.100 -5.091 1.00 0.00 C ATOM 0 H TRP A 54 73.465 20.866 -6.037 1.00 0.00 H new ATOM 0 HA TRP A 54 74.431 23.099 -4.719 1.00 0.00 H new ATOM 0 HB2 TRP A 54 76.246 21.442 -3.955 1.00 0.00 H new ATOM 0 HB3 TRP A 54 74.578 21.028 -3.612 1.00 0.00 H new ATOM 0 HD1 TRP A 54 77.153 20.251 -6.460 1.00 0.00 H new ATOM 0 HE1 TRP A 54 76.826 17.801 -7.222 1.00 0.00 H new ATOM 0 HE3 TRP A 54 73.205 19.049 -3.445 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 75.099 15.672 -6.588 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 72.266 16.776 -3.578 1.00 0.00 H new ATOM 0 HH2 TRP A 54 73.204 15.110 -5.128 1.00 0.00 H new ATOM 854 N ARG A 55 76.179 22.317 -7.348 1.00 0.00 N ATOM 855 CA ARG A 55 77.268 22.749 -8.216 1.00 0.00 C ATOM 856 C ARG A 55 77.038 24.175 -8.707 1.00 0.00 C ATOM 857 O ARG A 55 77.986 24.935 -8.904 1.00 0.00 O ATOM 858 CB ARG A 55 77.402 21.803 -9.410 1.00 0.00 C ATOM 859 CG ARG A 55 78.455 22.238 -10.417 1.00 0.00 C ATOM 860 CD ARG A 55 78.863 21.090 -11.327 1.00 0.00 C ATOM 861 NE ARG A 55 79.925 21.476 -12.252 1.00 0.00 N ATOM 862 CZ ARG A 55 80.276 20.755 -13.311 1.00 0.00 C ATOM 863 NH1 ARG A 55 79.651 19.617 -13.578 1.00 0.00 N ATOM 864 NH2 ARG A 55 81.252 21.173 -14.106 1.00 0.00 N ATOM 0 H ARG A 55 75.577 21.600 -7.752 1.00 0.00 H new ATOM 0 HA ARG A 55 78.192 22.726 -7.638 1.00 0.00 H new ATOM 0 HB2 ARG A 55 77.649 20.806 -9.046 1.00 0.00 H new ATOM 0 HB3 ARG A 55 76.438 21.729 -9.914 1.00 0.00 H new ATOM 0 HG2 ARG A 55 78.067 23.060 -11.018 1.00 0.00 H new ATOM 0 HG3 ARG A 55 79.331 22.615 -9.889 1.00 0.00 H new ATOM 0 HD2 ARG A 55 79.198 20.248 -10.721 1.00 0.00 H new ATOM 0 HD3 ARG A 55 77.996 20.750 -11.893 1.00 0.00 H new ATOM 0 HE ARG A 55 80.425 22.347 -12.075 1.00 0.00 H new ATOM 0 HH11 ARG A 55 78.899 19.293 -12.970 1.00 0.00 H new ATOM 0 HH12 ARG A 55 79.922 19.065 -14.392 1.00 0.00 H new ATOM 0 HH21 ARG A 55 81.734 22.049 -13.904 1.00 0.00 H new ATOM 0 HH22 ARG A 55 81.521 20.618 -14.919 1.00 0.00 H new ATOM 878 N ASP A 56 75.773 24.531 -8.903 1.00 0.00 N ATOM 879 CA ASP A 56 75.418 25.866 -9.371 1.00 0.00 C ATOM 880 C ASP A 56 75.740 26.916 -8.312 1.00 0.00 C ATOM 881 O ASP A 56 76.316 27.962 -8.614 1.00 0.00 O ATOM 882 CB ASP A 56 73.933 25.926 -9.731 1.00 0.00 C ATOM 883 CG ASP A 56 73.661 26.828 -10.918 1.00 0.00 C ATOM 884 OD1 ASP A 56 74.556 27.621 -11.278 1.00 0.00 O ATOM 885 OD2 ASP A 56 72.553 26.740 -11.488 1.00 0.00 O ATOM 0 H ASP A 56 74.976 23.914 -8.745 1.00 0.00 H new ATOM 0 HA ASP A 56 76.008 26.081 -10.262 1.00 0.00 H new ATOM 0 HB2 ASP A 56 73.575 24.921 -9.953 1.00 0.00 H new ATOM 0 HB3 ASP A 56 73.368 26.283 -8.870 1.00 0.00 H new ATOM 890 N VAL A 57 75.363 26.632 -7.069 1.00 0.00 N ATOM 891 CA VAL A 57 75.611 27.551 -5.966 1.00 0.00 C ATOM 892 C VAL A 57 77.098 27.631 -5.640 1.00 0.00 C ATOM 893 O VAL A 57 77.592 28.665 -5.189 1.00 0.00 O ATOM 894 CB VAL A 57 74.842 27.129 -4.700 1.00 0.00 C ATOM 895 CG1 VAL A 57 75.116 25.670 -4.370 1.00 0.00 C ATOM 896 CG2 VAL A 57 75.210 28.027 -3.529 1.00 0.00 C ATOM 0 H VAL A 57 74.884 25.772 -6.801 1.00 0.00 H new ATOM 0 HA VAL A 57 75.259 28.531 -6.287 1.00 0.00 H new ATOM 0 HB VAL A 57 73.775 27.239 -4.891 1.00 0.00 H new ATOM 0 HG11 VAL A 57 74.564 25.390 -3.473 1.00 0.00 H new ATOM 0 HG12 VAL A 57 74.797 25.043 -5.202 1.00 0.00 H new ATOM 0 HG13 VAL A 57 76.183 25.530 -4.198 1.00 0.00 H new ATOM 0 HG21 VAL A 57 74.657 27.714 -2.643 1.00 0.00 H new ATOM 0 HG22 VAL A 57 76.280 27.951 -3.335 1.00 0.00 H new ATOM 0 HG23 VAL A 57 74.957 29.060 -3.769 1.00 0.00 H new ATOM 906 N LYS A 58 77.809 26.532 -5.872 1.00 0.00 N ATOM 907 CA LYS A 58 79.241 26.476 -5.606 1.00 0.00 C ATOM 908 C LYS A 58 80.007 27.391 -6.556 1.00 0.00 C ATOM 909 O LYS A 58 80.899 28.130 -6.138 1.00 0.00 O ATOM 910 CB LYS A 58 79.750 25.040 -5.743 1.00 0.00 C ATOM 911 CG LYS A 58 81.250 24.904 -5.542 1.00 0.00 C ATOM 912 CD LYS A 58 81.632 25.059 -4.079 1.00 0.00 C ATOM 913 CE LYS A 58 82.073 26.481 -3.766 1.00 0.00 C ATOM 914 NZ LYS A 58 82.274 26.690 -2.306 1.00 0.00 N ATOM 0 H LYS A 58 77.416 25.668 -6.244 1.00 0.00 H new ATOM 0 HA LYS A 58 79.409 26.819 -4.585 1.00 0.00 H new ATOM 0 HB2 LYS A 58 79.236 24.410 -5.017 1.00 0.00 H new ATOM 0 HB3 LYS A 58 79.489 24.664 -6.732 1.00 0.00 H new ATOM 0 HG2 LYS A 58 81.580 23.930 -5.904 1.00 0.00 H new ATOM 0 HG3 LYS A 58 81.768 25.657 -6.136 1.00 0.00 H new ATOM 0 HD2 LYS A 58 80.782 24.794 -3.450 1.00 0.00 H new ATOM 0 HD3 LYS A 58 82.437 24.365 -3.837 1.00 0.00 H new ATOM 0 HE2 LYS A 58 83.001 26.698 -4.295 1.00 0.00 H new ATOM 0 HE3 LYS A 58 81.324 27.183 -4.134 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 81.600 27.403 -1.961 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 82.117 25.794 -1.802 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 83.245 27.019 -2.133 1.00 0.00 H new ATOM 928 N PHE A 59 79.653 27.338 -7.836 1.00 0.00 N ATOM 929 CA PHE A 59 80.307 28.163 -8.845 1.00 0.00 C ATOM 930 C PHE A 59 79.725 29.573 -8.855 1.00 0.00 C ATOM 931 O PHE A 59 80.352 30.511 -9.348 1.00 0.00 O ATOM 932 CB PHE A 59 80.157 27.527 -10.229 1.00 0.00 C ATOM 933 CG PHE A 59 80.604 28.421 -11.350 1.00 0.00 C ATOM 934 CD1 PHE A 59 81.919 28.401 -11.787 1.00 0.00 C ATOM 935 CD2 PHE A 59 79.709 29.280 -11.968 1.00 0.00 C ATOM 936 CE1 PHE A 59 82.333 29.223 -12.819 1.00 0.00 C ATOM 937 CE2 PHE A 59 80.117 30.103 -13.000 1.00 0.00 C ATOM 938 CZ PHE A 59 81.431 30.074 -13.427 1.00 0.00 C ATOM 0 H PHE A 59 78.917 26.732 -8.199 1.00 0.00 H new ATOM 0 HA PHE A 59 81.366 28.228 -8.595 1.00 0.00 H new ATOM 0 HB2 PHE A 59 80.734 26.603 -10.260 1.00 0.00 H new ATOM 0 HB3 PHE A 59 79.113 27.257 -10.385 1.00 0.00 H new ATOM 0 HD1 PHE A 59 82.628 27.736 -11.316 1.00 0.00 H new ATOM 0 HD2 PHE A 59 78.681 29.306 -11.639 1.00 0.00 H new ATOM 0 HE1 PHE A 59 83.361 29.200 -13.149 1.00 0.00 H new ATOM 0 HE2 PHE A 59 79.410 30.768 -13.473 1.00 0.00 H new ATOM 0 HZ PHE A 59 81.752 30.715 -14.234 1.00 0.00 H new ATOM 948 N ARG A 60 78.522 29.715 -8.309 1.00 0.00 N ATOM 949 CA ARG A 60 77.854 31.010 -8.256 1.00 0.00 C ATOM 950 C ARG A 60 78.175 31.735 -6.952 1.00 0.00 C ATOM 951 O ARG A 60 77.897 32.925 -6.808 1.00 0.00 O ATOM 952 CB ARG A 60 76.341 30.832 -8.395 1.00 0.00 C ATOM 953 CG ARG A 60 75.565 32.137 -8.318 1.00 0.00 C ATOM 954 CD ARG A 60 76.033 33.126 -9.374 1.00 0.00 C ATOM 955 NE ARG A 60 76.612 34.328 -8.780 1.00 0.00 N ATOM 956 CZ ARG A 60 76.797 35.462 -9.447 1.00 0.00 C ATOM 957 NH1 ARG A 60 76.449 35.548 -10.724 1.00 0.00 N ATOM 958 NH2 ARG A 60 77.330 36.513 -8.837 1.00 0.00 N ATOM 0 H ARG A 60 77.990 28.949 -7.897 1.00 0.00 H new ATOM 0 HA ARG A 60 78.220 31.614 -9.086 1.00 0.00 H new ATOM 0 HB2 ARG A 60 76.127 30.347 -9.347 1.00 0.00 H new ATOM 0 HB3 ARG A 60 75.989 30.163 -7.610 1.00 0.00 H new ATOM 0 HG2 ARG A 60 74.502 31.938 -8.450 1.00 0.00 H new ATOM 0 HG3 ARG A 60 75.686 32.576 -7.328 1.00 0.00 H new ATOM 0 HD2 ARG A 60 76.772 32.647 -10.017 1.00 0.00 H new ATOM 0 HD3 ARG A 60 75.191 33.404 -10.008 1.00 0.00 H new ATOM 0 HE ARG A 60 76.890 34.295 -7.799 1.00 0.00 H new ATOM 0 HH11 ARG A 60 76.038 34.742 -11.196 1.00 0.00 H new ATOM 0 HH12 ARG A 60 76.592 36.420 -11.234 1.00 0.00 H new ATOM 0 HH21 ARG A 60 77.598 36.451 -7.855 1.00 0.00 H new ATOM 0 HH22 ARG A 60 77.472 37.383 -9.350 1.00 0.00 H new ATOM 972 N ALA A 61 78.760 31.008 -6.006 1.00 0.00 N ATOM 973 CA ALA A 61 79.119 31.582 -4.715 1.00 0.00 C ATOM 974 C ALA A 61 80.413 32.383 -4.812 1.00 0.00 C ATOM 975 O ALA A 61 80.390 33.610 -4.904 1.00 0.00 O ATOM 976 CB ALA A 61 79.252 30.486 -3.669 1.00 0.00 C ATOM 0 H ALA A 61 78.995 30.021 -6.109 1.00 0.00 H new ATOM 0 HA ALA A 61 78.323 32.262 -4.413 1.00 0.00 H new ATOM 0 HB1 ALA A 61 79.520 30.929 -2.710 1.00 0.00 H new ATOM 0 HB2 ALA A 61 78.303 29.958 -3.572 1.00 0.00 H new ATOM 0 HB3 ALA A 61 80.028 29.784 -3.974 1.00 0.00 H new ATOM 982 N PHE A 62 81.541 31.681 -4.790 1.00 0.00 N ATOM 983 CA PHE A 62 82.846 32.327 -4.874 1.00 0.00 C ATOM 984 C PHE A 62 83.806 31.505 -5.728 1.00 0.00 C ATOM 985 O PHE A 62 84.651 32.055 -6.434 1.00 0.00 O ATOM 986 CB PHE A 62 83.432 32.524 -3.474 1.00 0.00 C ATOM 987 CG PHE A 62 82.713 31.747 -2.408 1.00 0.00 C ATOM 988 CD1 PHE A 62 83.071 30.439 -2.125 1.00 0.00 C ATOM 989 CD2 PHE A 62 81.678 32.325 -1.691 1.00 0.00 C ATOM 990 CE1 PHE A 62 82.412 29.722 -1.145 1.00 0.00 C ATOM 991 CE2 PHE A 62 81.015 31.613 -0.709 1.00 0.00 C ATOM 992 CZ PHE A 62 81.382 30.309 -0.437 1.00 0.00 C ATOM 0 H PHE A 62 81.578 30.664 -4.715 1.00 0.00 H new ATOM 0 HA PHE A 62 82.712 33.301 -5.345 1.00 0.00 H new ATOM 0 HB2 PHE A 62 84.481 32.228 -3.483 1.00 0.00 H new ATOM 0 HB3 PHE A 62 83.402 33.584 -3.222 1.00 0.00 H new ATOM 0 HD1 PHE A 62 83.875 29.974 -2.677 1.00 0.00 H new ATOM 0 HD2 PHE A 62 81.386 33.343 -1.902 1.00 0.00 H new ATOM 0 HE1 PHE A 62 82.702 28.704 -0.933 1.00 0.00 H new ATOM 0 HE2 PHE A 62 80.211 32.075 -0.155 1.00 0.00 H new ATOM 0 HZ PHE A 62 80.864 29.750 0.328 1.00 0.00 H new ATOM 1002 N GLU A 63 83.670 30.185 -5.658 1.00 0.00 N ATOM 1003 CA GLU A 63 84.526 29.287 -6.424 1.00 0.00 C ATOM 1004 C GLU A 63 85.975 29.765 -6.400 1.00 0.00 C ATOM 1005 O GLU A 63 86.690 29.664 -7.397 1.00 0.00 O ATOM 1006 CB GLU A 63 84.034 29.186 -7.869 1.00 0.00 C ATOM 1007 CG GLU A 63 84.177 30.481 -8.652 1.00 0.00 C ATOM 1008 CD GLU A 63 84.149 30.262 -10.152 1.00 0.00 C ATOM 1009 OE1 GLU A 63 84.656 29.215 -10.608 1.00 0.00 O ATOM 1010 OE2 GLU A 63 83.621 31.136 -10.871 1.00 0.00 O ATOM 0 H GLU A 63 82.975 29.714 -5.079 1.00 0.00 H new ATOM 0 HA GLU A 63 84.479 28.300 -5.963 1.00 0.00 H new ATOM 0 HB2 GLU A 63 84.590 28.399 -8.379 1.00 0.00 H new ATOM 0 HB3 GLU A 63 82.986 28.886 -7.867 1.00 0.00 H new ATOM 0 HG2 GLU A 63 83.372 31.161 -8.373 1.00 0.00 H new ATOM 0 HG3 GLU A 63 85.114 30.966 -8.377 1.00 0.00 H new ATOM 1081 N ARG A 68 86.007 24.853 -0.654 1.00 0.00 N ATOM 1082 CA ARG A 68 84.879 25.035 -1.560 1.00 0.00 C ATOM 1083 C ARG A 68 84.252 23.693 -1.923 1.00 0.00 C ATOM 1084 O ARG A 68 84.762 22.968 -2.779 1.00 0.00 O ATOM 1085 CB ARG A 68 85.329 25.761 -2.829 1.00 0.00 C ATOM 1086 CG ARG A 68 86.636 25.236 -3.400 1.00 0.00 C ATOM 1087 CD ARG A 68 86.666 25.347 -4.916 1.00 0.00 C ATOM 1088 NE ARG A 68 87.790 24.617 -5.497 1.00 0.00 N ATOM 1089 CZ ARG A 68 87.787 23.305 -5.701 1.00 0.00 C ATOM 1090 NH1 ARG A 68 86.725 22.582 -5.375 1.00 0.00 N ATOM 1091 NH2 ARG A 68 88.849 22.713 -6.234 1.00 0.00 N ATOM 0 HA ARG A 68 84.129 25.640 -1.050 1.00 0.00 H new ATOM 0 HB2 ARG A 68 84.549 25.670 -3.585 1.00 0.00 H new ATOM 0 HB3 ARG A 68 85.439 26.823 -2.610 1.00 0.00 H new ATOM 0 HG2 ARG A 68 87.470 25.796 -2.977 1.00 0.00 H new ATOM 0 HG3 ARG A 68 86.770 24.194 -3.108 1.00 0.00 H new ATOM 0 HD2 ARG A 68 85.733 24.961 -5.326 1.00 0.00 H new ATOM 0 HD3 ARG A 68 86.730 26.397 -5.201 1.00 0.00 H new ATOM 0 HE ARG A 68 88.623 25.144 -5.760 1.00 0.00 H new ATOM 0 HH11 ARG A 68 85.907 23.033 -4.966 1.00 0.00 H new ATOM 0 HH12 ARG A 68 86.726 21.574 -5.533 1.00 0.00 H new ATOM 0 HH21 ARG A 68 89.668 23.266 -6.487 1.00 0.00 H new ATOM 0 HH22 ARG A 68 88.846 21.705 -6.390 1.00 0.00 H new ATOM 1105 N THR A 69 83.143 23.366 -1.267 1.00 0.00 N ATOM 1106 CA THR A 69 82.447 22.111 -1.520 1.00 0.00 C ATOM 1107 C THR A 69 80.969 22.350 -1.808 1.00 0.00 C ATOM 1108 O THR A 69 80.286 23.050 -1.060 1.00 0.00 O ATOM 1109 CB THR A 69 82.576 21.147 -0.325 1.00 0.00 C ATOM 1110 OG1 THR A 69 83.298 21.778 0.738 1.00 0.00 O ATOM 1111 CG2 THR A 69 83.287 19.867 -0.738 1.00 0.00 C ATOM 0 H THR A 69 82.708 23.954 -0.556 1.00 0.00 H new ATOM 0 HA THR A 69 82.916 21.660 -2.394 1.00 0.00 H new ATOM 0 HB THR A 69 81.573 20.893 0.019 1.00 0.00 H new ATOM 0 HG1 THR A 69 83.374 21.159 1.494 1.00 0.00 H new ATOM 0 HG21 THR A 69 83.367 19.202 0.122 1.00 0.00 H new ATOM 0 HG22 THR A 69 82.719 19.374 -1.527 1.00 0.00 H new ATOM 0 HG23 THR A 69 84.285 20.107 -1.105 1.00 0.00 H new ATOM 1119 N TYR A 70 80.481 21.763 -2.896 1.00 0.00 N ATOM 1120 CA TYR A 70 79.084 21.914 -3.284 1.00 0.00 C ATOM 1121 C TYR A 70 78.158 21.630 -2.105 1.00 0.00 C ATOM 1122 O TYR A 70 77.400 22.498 -1.672 1.00 0.00 O ATOM 1123 CB TYR A 70 78.752 20.977 -4.446 1.00 0.00 C ATOM 1124 CG TYR A 70 79.913 20.740 -5.384 1.00 0.00 C ATOM 1125 CD1 TYR A 70 80.267 21.689 -6.335 1.00 0.00 C ATOM 1126 CD2 TYR A 70 80.657 19.568 -5.319 1.00 0.00 C ATOM 1127 CE1 TYR A 70 81.327 21.477 -7.196 1.00 0.00 C ATOM 1128 CE2 TYR A 70 81.719 19.348 -6.175 1.00 0.00 C ATOM 1129 CZ TYR A 70 82.050 20.305 -7.111 1.00 0.00 C ATOM 1130 OH TYR A 70 83.108 20.091 -7.965 1.00 0.00 O ATOM 0 H TYR A 70 81.032 21.179 -3.524 1.00 0.00 H new ATOM 0 HA TYR A 70 78.931 22.945 -3.603 1.00 0.00 H new ATOM 0 HB2 TYR A 70 78.418 20.020 -4.046 1.00 0.00 H new ATOM 0 HB3 TYR A 70 77.919 21.394 -5.011 1.00 0.00 H new ATOM 0 HD1 TYR A 70 79.704 22.608 -6.403 1.00 0.00 H new ATOM 0 HD2 TYR A 70 80.401 18.816 -4.587 1.00 0.00 H new ATOM 0 HE1 TYR A 70 81.588 22.224 -7.931 1.00 0.00 H new ATOM 0 HE2 TYR A 70 82.287 18.432 -6.111 1.00 0.00 H new ATOM 0 HH TYR A 70 83.512 19.219 -7.774 1.00 0.00 H new ATOM 1140 N VAL A 71 78.225 20.406 -1.590 1.00 0.00 N ATOM 1141 CA VAL A 71 77.395 20.006 -0.460 1.00 0.00 C ATOM 1142 C VAL A 71 77.633 20.909 0.745 1.00 0.00 C ATOM 1143 O VAL A 71 76.713 21.196 1.510 1.00 0.00 O ATOM 1144 CB VAL A 71 77.667 18.545 -0.054 1.00 0.00 C ATOM 1145 CG1 VAL A 71 79.133 18.353 0.303 1.00 0.00 C ATOM 1146 CG2 VAL A 71 76.770 18.139 1.106 1.00 0.00 C ATOM 0 H VAL A 71 78.845 19.675 -1.937 1.00 0.00 H new ATOM 0 HA VAL A 71 76.358 20.100 -0.781 1.00 0.00 H new ATOM 0 HB VAL A 71 77.438 17.902 -0.904 1.00 0.00 H new ATOM 0 HG11 VAL A 71 79.305 17.315 0.587 1.00 0.00 H new ATOM 0 HG12 VAL A 71 79.753 18.601 -0.559 1.00 0.00 H new ATOM 0 HG13 VAL A 71 79.393 19.005 1.137 1.00 0.00 H new ATOM 0 HG21 VAL A 71 76.975 17.104 1.380 1.00 0.00 H new ATOM 0 HG22 VAL A 71 76.965 18.786 1.961 1.00 0.00 H new ATOM 0 HG23 VAL A 71 75.726 18.235 0.809 1.00 0.00 H new ATOM 1156 N ASP A 72 78.874 21.355 0.906 1.00 0.00 N ATOM 1157 CA ASP A 72 79.234 22.229 2.017 1.00 0.00 C ATOM 1158 C ASP A 72 78.417 23.517 1.983 1.00 0.00 C ATOM 1159 O ASP A 72 78.042 24.054 3.025 1.00 0.00 O ATOM 1160 CB ASP A 72 80.727 22.556 1.974 1.00 0.00 C ATOM 1161 CG ASP A 72 81.203 23.260 3.229 1.00 0.00 C ATOM 1162 OD1 ASP A 72 80.788 22.850 4.334 1.00 0.00 O ATOM 1163 OD2 ASP A 72 81.990 24.222 3.107 1.00 0.00 O ATOM 0 H ASP A 72 79.647 21.126 0.282 1.00 0.00 H new ATOM 0 HA ASP A 72 79.012 21.704 2.946 1.00 0.00 H new ATOM 0 HB2 ASP A 72 81.294 21.635 1.841 1.00 0.00 H new ATOM 0 HB3 ASP A 72 80.933 23.185 1.108 1.00 0.00 H new ATOM 1168 N LEU A 73 78.147 24.007 0.778 1.00 0.00 N ATOM 1169 CA LEU A 73 77.375 25.233 0.607 1.00 0.00 C ATOM 1170 C LEU A 73 75.898 24.993 0.904 1.00 0.00 C ATOM 1171 O LEU A 73 75.311 25.652 1.763 1.00 0.00 O ATOM 1172 CB LEU A 73 77.541 25.769 -0.816 1.00 0.00 C ATOM 1173 CG LEU A 73 78.965 26.133 -1.235 1.00 0.00 C ATOM 1174 CD1 LEU A 73 78.960 27.353 -2.142 1.00 0.00 C ATOM 1175 CD2 LEU A 73 79.835 26.380 -0.011 1.00 0.00 C ATOM 0 H LEU A 73 78.451 23.575 -0.094 1.00 0.00 H new ATOM 0 HA LEU A 73 77.752 25.972 1.313 1.00 0.00 H new ATOM 0 HB2 LEU A 73 77.159 25.021 -1.511 1.00 0.00 H new ATOM 0 HB3 LEU A 73 76.914 26.654 -0.925 1.00 0.00 H new ATOM 0 HG LEU A 73 79.384 25.294 -1.791 1.00 0.00 H new ATOM 0 HD11 LEU A 73 79.983 27.597 -2.430 1.00 0.00 H new ATOM 0 HD12 LEU A 73 78.373 27.140 -3.035 1.00 0.00 H new ATOM 0 HD13 LEU A 73 78.521 28.198 -1.612 1.00 0.00 H new ATOM 0 HD21 LEU A 73 80.845 26.638 -0.329 1.00 0.00 H new ATOM 0 HD22 LEU A 73 79.418 27.201 0.573 1.00 0.00 H new ATOM 0 HD23 LEU A 73 79.866 25.479 0.601 1.00 0.00 H new ATOM 1187 N LYS A 74 75.303 24.044 0.190 1.00 0.00 N ATOM 1188 CA LYS A 74 73.896 23.713 0.378 1.00 0.00 C ATOM 1189 C LYS A 74 73.616 23.329 1.827 1.00 0.00 C ATOM 1190 O LYS A 74 72.593 23.712 2.395 1.00 0.00 O ATOM 1191 CB LYS A 74 73.492 22.567 -0.552 1.00 0.00 C ATOM 1192 CG LYS A 74 72.052 22.117 -0.372 1.00 0.00 C ATOM 1193 CD LYS A 74 71.073 23.193 -0.813 1.00 0.00 C ATOM 1194 CE LYS A 74 69.725 23.034 -0.127 1.00 0.00 C ATOM 1195 NZ LYS A 74 69.123 21.697 -0.387 1.00 0.00 N ATOM 0 H LYS A 74 75.774 23.490 -0.525 1.00 0.00 H new ATOM 0 HA LYS A 74 73.305 24.596 0.134 1.00 0.00 H new ATOM 0 HB2 LYS A 74 73.640 22.880 -1.586 1.00 0.00 H new ATOM 0 HB3 LYS A 74 74.154 21.718 -0.378 1.00 0.00 H new ATOM 0 HG2 LYS A 74 71.879 21.208 -0.948 1.00 0.00 H new ATOM 0 HG3 LYS A 74 71.875 21.870 0.675 1.00 0.00 H new ATOM 0 HD2 LYS A 74 71.485 24.176 -0.586 1.00 0.00 H new ATOM 0 HD3 LYS A 74 70.940 23.145 -1.894 1.00 0.00 H new ATOM 0 HE2 LYS A 74 69.846 23.175 0.947 1.00 0.00 H new ATOM 0 HE3 LYS A 74 69.046 23.812 -0.476 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 68.145 21.682 -0.033 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 69.124 21.509 -1.410 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 69.679 20.965 0.100 1.00 0.00 H new ATOM 1209 N ASP A 75 74.532 22.572 2.421 1.00 0.00 N ATOM 1210 CA ASP A 75 74.385 22.138 3.805 1.00 0.00 C ATOM 1211 C ASP A 75 74.570 23.310 4.765 1.00 0.00 C ATOM 1212 O ASP A 75 73.882 23.409 5.781 1.00 0.00 O ATOM 1213 CB ASP A 75 75.396 21.036 4.127 1.00 0.00 C ATOM 1214 CG ASP A 75 74.973 20.191 5.312 1.00 0.00 C ATOM 1215 OD1 ASP A 75 73.821 19.708 5.317 1.00 0.00 O ATOM 1216 OD2 ASP A 75 75.794 20.011 6.235 1.00 0.00 O ATOM 0 H ASP A 75 75.384 22.246 1.965 1.00 0.00 H new ATOM 0 HA ASP A 75 73.377 21.744 3.930 1.00 0.00 H new ATOM 0 HB2 ASP A 75 75.521 20.396 3.254 1.00 0.00 H new ATOM 0 HB3 ASP A 75 76.367 21.487 4.334 1.00 0.00 H new ATOM 1221 N LYS A 76 75.504 24.196 4.435 1.00 0.00 N ATOM 1222 CA LYS A 76 75.781 25.361 5.266 1.00 0.00 C ATOM 1223 C LYS A 76 74.536 26.231 5.415 1.00 0.00 C ATOM 1224 O LYS A 76 74.214 26.687 6.512 1.00 0.00 O ATOM 1225 CB LYS A 76 76.922 26.184 4.663 1.00 0.00 C ATOM 1226 CG LYS A 76 78.281 25.870 5.263 1.00 0.00 C ATOM 1227 CD LYS A 76 78.474 26.565 6.601 1.00 0.00 C ATOM 1228 CE LYS A 76 79.413 25.781 7.505 1.00 0.00 C ATOM 1229 NZ LYS A 76 79.577 26.434 8.834 1.00 0.00 N ATOM 0 H LYS A 76 76.082 24.129 3.597 1.00 0.00 H new ATOM 0 HA LYS A 76 76.078 25.009 6.254 1.00 0.00 H new ATOM 0 HB2 LYS A 76 76.959 26.006 3.588 1.00 0.00 H new ATOM 0 HB3 LYS A 76 76.708 27.244 4.803 1.00 0.00 H new ATOM 0 HG2 LYS A 76 78.382 24.793 5.394 1.00 0.00 H new ATOM 0 HG3 LYS A 76 79.065 26.182 4.573 1.00 0.00 H new ATOM 0 HD2 LYS A 76 78.875 27.566 6.438 1.00 0.00 H new ATOM 0 HD3 LYS A 76 77.509 26.684 7.093 1.00 0.00 H new ATOM 0 HE2 LYS A 76 79.026 24.771 7.642 1.00 0.00 H new ATOM 0 HE3 LYS A 76 80.386 25.687 7.024 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 79.895 25.730 9.530 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 80.284 27.194 8.763 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 78.667 26.835 9.138 1.00 0.00 H new ATOM 1243 N TRP A 77 73.841 26.455 4.306 1.00 0.00 N ATOM 1244 CA TRP A 77 72.630 27.268 4.314 1.00 0.00 C ATOM 1245 C TRP A 77 71.503 26.560 5.058 1.00 0.00 C ATOM 1246 O TRP A 77 70.857 27.144 5.928 1.00 0.00 O ATOM 1247 CB TRP A 77 72.194 27.585 2.883 1.00 0.00 C ATOM 1248 CG TRP A 77 70.837 28.216 2.802 1.00 0.00 C ATOM 1249 CD1 TRP A 77 70.454 29.408 3.348 1.00 0.00 C ATOM 1250 CD2 TRP A 77 69.685 27.688 2.136 1.00 0.00 C ATOM 1251 NE1 TRP A 77 69.132 29.652 3.062 1.00 0.00 N ATOM 1252 CE2 TRP A 77 68.638 28.613 2.319 1.00 0.00 C ATOM 1253 CE3 TRP A 77 69.436 26.526 1.401 1.00 0.00 C ATOM 1254 CZ2 TRP A 77 67.364 28.408 1.795 1.00 0.00 C ATOM 1255 CZ3 TRP A 77 68.171 26.324 0.882 1.00 0.00 C ATOM 1256 CH2 TRP A 77 67.149 27.261 1.081 1.00 0.00 C ATOM 0 H TRP A 77 74.095 26.085 3.390 1.00 0.00 H new ATOM 0 HA TRP A 77 72.852 28.200 4.833 1.00 0.00 H new ATOM 0 HB2 TRP A 77 72.925 28.253 2.427 1.00 0.00 H new ATOM 0 HB3 TRP A 77 72.195 26.665 2.298 1.00 0.00 H new ATOM 0 HD1 TRP A 77 71.095 30.062 3.920 1.00 0.00 H new ATOM 0 HE1 TRP A 77 68.604 30.474 3.356 1.00 0.00 H new ATOM 0 HE3 TRP A 77 70.218 25.799 1.241 1.00 0.00 H new ATOM 0 HZ2 TRP A 77 66.574 29.129 1.947 1.00 0.00 H new ATOM 0 HZ3 TRP A 77 67.967 25.429 0.313 1.00 0.00 H new ATOM 0 HH2 TRP A 77 66.171 27.074 0.662 1.00 0.00 H new ATOM 1267 N LYS A 78 71.272 25.299 4.710 1.00 0.00 N ATOM 1268 CA LYS A 78 70.224 24.509 5.345 1.00 0.00 C ATOM 1269 C LYS A 78 70.424 24.454 6.856 1.00 0.00 C ATOM 1270 O LYS A 78 69.487 24.671 7.626 1.00 0.00 O ATOM 1271 CB LYS A 78 70.205 23.091 4.771 1.00 0.00 C ATOM 1272 CG LYS A 78 69.184 22.181 5.430 1.00 0.00 C ATOM 1273 CD LYS A 78 67.764 22.640 5.150 1.00 0.00 C ATOM 1274 CE LYS A 78 66.777 22.036 6.137 1.00 0.00 C ATOM 1275 NZ LYS A 78 66.604 20.572 5.923 1.00 0.00 N ATOM 0 H LYS A 78 71.797 24.802 3.991 1.00 0.00 H new ATOM 0 HA LYS A 78 69.268 24.990 5.139 1.00 0.00 H new ATOM 0 HB2 LYS A 78 69.996 23.144 3.703 1.00 0.00 H new ATOM 0 HB3 LYS A 78 71.196 22.651 4.881 1.00 0.00 H new ATOM 0 HG2 LYS A 78 69.316 21.162 5.067 1.00 0.00 H new ATOM 0 HG3 LYS A 78 69.355 22.160 6.506 1.00 0.00 H new ATOM 0 HD2 LYS A 78 67.715 23.728 5.204 1.00 0.00 H new ATOM 0 HD3 LYS A 78 67.483 22.359 4.135 1.00 0.00 H new ATOM 0 HE2 LYS A 78 67.125 22.216 7.154 1.00 0.00 H new ATOM 0 HE3 LYS A 78 65.813 22.534 6.037 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 65.924 20.198 6.615 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 66.248 20.401 4.961 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 67.519 20.093 6.043 1.00 0.00 H new ATOM 1289 N THR A 79 71.652 24.164 7.276 1.00 0.00 N ATOM 1290 CA THR A 79 71.975 24.082 8.695 1.00 0.00 C ATOM 1291 C THR A 79 71.719 25.411 9.396 1.00 0.00 C ATOM 1292 O THR A 79 71.023 25.466 10.410 1.00 0.00 O ATOM 1293 CB THR A 79 73.444 23.674 8.913 1.00 0.00 C ATOM 1294 OG1 THR A 79 73.733 22.474 8.187 1.00 0.00 O ATOM 1295 CG2 THR A 79 73.732 23.459 10.392 1.00 0.00 C ATOM 0 H THR A 79 72.439 23.982 6.653 1.00 0.00 H new ATOM 0 HA THR A 79 71.326 23.319 9.123 1.00 0.00 H new ATOM 0 HB THR A 79 74.080 24.481 8.548 1.00 0.00 H new ATOM 0 HG1 THR A 79 74.036 22.703 7.283 1.00 0.00 H new ATOM 0 HG21 THR A 79 74.775 23.172 10.521 1.00 0.00 H new ATOM 0 HG22 THR A 79 73.540 24.382 10.938 1.00 0.00 H new ATOM 0 HG23 THR A 79 73.088 22.669 10.777 1.00 0.00 H new ATOM 1303 N LEU A 80 72.285 26.481 8.849 1.00 0.00 N ATOM 1304 CA LEU A 80 72.117 27.812 9.421 1.00 0.00 C ATOM 1305 C LEU A 80 70.640 28.186 9.507 1.00 0.00 C ATOM 1306 O LEU A 80 70.227 28.924 10.401 1.00 0.00 O ATOM 1307 CB LEU A 80 72.869 28.848 8.584 1.00 0.00 C ATOM 1308 CG LEU A 80 72.017 29.686 7.630 1.00 0.00 C ATOM 1309 CD1 LEU A 80 71.391 30.861 8.365 1.00 0.00 C ATOM 1310 CD2 LEU A 80 72.854 30.174 6.456 1.00 0.00 C ATOM 0 H LEU A 80 72.864 26.453 8.010 1.00 0.00 H new ATOM 0 HA LEU A 80 72.529 27.801 10.430 1.00 0.00 H new ATOM 0 HB2 LEU A 80 73.391 29.524 9.262 1.00 0.00 H new ATOM 0 HB3 LEU A 80 73.630 28.331 8.000 1.00 0.00 H new ATOM 0 HG LEU A 80 71.215 29.057 7.243 1.00 0.00 H new ATOM 0 HD11 LEU A 80 70.788 31.446 7.670 1.00 0.00 H new ATOM 0 HD12 LEU A 80 70.758 30.490 9.171 1.00 0.00 H new ATOM 0 HD13 LEU A 80 72.177 31.490 8.782 1.00 0.00 H new ATOM 0 HD21 LEU A 80 72.231 30.769 5.787 1.00 0.00 H new ATOM 0 HD22 LEU A 80 73.677 30.786 6.825 1.00 0.00 H new ATOM 0 HD23 LEU A 80 73.254 29.317 5.913 1.00 0.00 H new ATOM 1322 N VAL A 81 69.849 27.669 8.572 1.00 0.00 N ATOM 1323 CA VAL A 81 68.418 27.946 8.543 1.00 0.00 C ATOM 1324 C VAL A 81 67.710 27.304 9.732 1.00 0.00 C ATOM 1325 O VAL A 81 66.887 27.936 10.393 1.00 0.00 O ATOM 1326 CB VAL A 81 67.774 27.436 7.240 1.00 0.00 C ATOM 1327 CG1 VAL A 81 66.258 27.425 7.363 1.00 0.00 C ATOM 1328 CG2 VAL A 81 68.215 28.288 6.060 1.00 0.00 C ATOM 0 H VAL A 81 70.175 27.056 7.825 1.00 0.00 H new ATOM 0 HA VAL A 81 68.304 29.029 8.597 1.00 0.00 H new ATOM 0 HB VAL A 81 68.108 26.413 7.065 1.00 0.00 H new ATOM 0 HG11 VAL A 81 65.820 27.062 6.433 1.00 0.00 H new ATOM 0 HG12 VAL A 81 65.964 26.769 8.183 1.00 0.00 H new ATOM 0 HG13 VAL A 81 65.902 28.436 7.561 1.00 0.00 H new ATOM 0 HG21 VAL A 81 67.751 27.914 5.147 1.00 0.00 H new ATOM 0 HG22 VAL A 81 67.911 29.322 6.224 1.00 0.00 H new ATOM 0 HG23 VAL A 81 69.299 28.240 5.962 1.00 0.00 H new ATOM 1338 N HIS A 82 68.038 26.043 9.998 1.00 0.00 N ATOM 1339 CA HIS A 82 67.434 25.315 11.108 1.00 0.00 C ATOM 1340 C HIS A 82 67.769 25.980 12.440 1.00 0.00 C ATOM 1341 O HIS A 82 66.921 26.082 13.327 1.00 0.00 O ATOM 1342 CB HIS A 82 67.914 23.863 11.115 1.00 0.00 C ATOM 1343 CG HIS A 82 67.260 23.020 12.165 1.00 0.00 C ATOM 1344 ND1 HIS A 82 67.847 21.893 12.700 1.00 0.00 N ATOM 1345 CD2 HIS A 82 66.061 23.147 12.782 1.00 0.00 C ATOM 1346 CE1 HIS A 82 67.037 21.361 13.598 1.00 0.00 C ATOM 1347 NE2 HIS A 82 65.947 22.104 13.668 1.00 0.00 N ATOM 0 H HIS A 82 68.718 25.505 9.461 1.00 0.00 H new ATOM 0 HA HIS A 82 66.352 25.332 10.975 1.00 0.00 H new ATOM 0 HB2 HIS A 82 67.724 23.422 10.137 1.00 0.00 H new ATOM 0 HB3 HIS A 82 68.993 23.847 11.268 1.00 0.00 H new ATOM 0 HD2 HIS A 82 65.331 23.924 12.609 1.00 0.00 H new ATOM 0 HE1 HIS A 82 67.233 20.470 14.176 1.00 0.00 H new ATOM 0 HE2 HIS A 82 65.150 21.931 14.281 1.00 0.00 H new ATOM 1355 N THR A 83 69.013 26.431 12.575 1.00 0.00 N ATOM 1356 CA THR A 83 69.461 27.083 13.798 1.00 0.00 C ATOM 1357 C THR A 83 68.857 28.477 13.931 1.00 0.00 C ATOM 1358 O THR A 83 68.638 28.966 15.038 1.00 0.00 O ATOM 1359 CB THR A 83 70.996 27.195 13.846 1.00 0.00 C ATOM 1360 OG1 THR A 83 71.588 25.911 13.617 1.00 0.00 O ATOM 1361 CG2 THR A 83 71.458 27.739 15.190 1.00 0.00 C ATOM 0 H THR A 83 69.728 26.356 11.851 1.00 0.00 H new ATOM 0 HA THR A 83 69.124 26.462 14.628 1.00 0.00 H new ATOM 0 HB THR A 83 71.312 27.886 13.064 1.00 0.00 H new ATOM 0 HG1 THR A 83 71.479 25.664 12.675 1.00 0.00 H new ATOM 0 HG21 THR A 83 72.546 27.809 15.200 1.00 0.00 H new ATOM 0 HG22 THR A 83 71.029 28.728 15.349 1.00 0.00 H new ATOM 0 HG23 THR A 83 71.130 27.070 15.985 1.00 0.00 H new ATOM 1369 N ALA A 84 68.590 29.111 12.794 1.00 0.00 N ATOM 1370 CA ALA A 84 68.009 30.448 12.783 1.00 0.00 C ATOM 1371 C ALA A 84 66.488 30.386 12.877 1.00 0.00 C ATOM 1372 O ALA A 84 65.824 31.412 13.023 1.00 0.00 O ATOM 1373 CB ALA A 84 68.433 31.198 11.529 1.00 0.00 C ATOM 0 H ALA A 84 68.767 28.720 11.869 1.00 0.00 H new ATOM 0 HA ALA A 84 68.379 30.985 13.656 1.00 0.00 H new ATOM 0 HB1 ALA A 84 67.992 32.195 11.534 1.00 0.00 H new ATOM 0 HB2 ALA A 84 69.519 31.282 11.505 1.00 0.00 H new ATOM 0 HB3 ALA A 84 68.092 30.655 10.648 1.00 0.00 H new ATOM 1379 N SER A 85 65.943 29.177 12.791 1.00 0.00 N ATOM 1380 CA SER A 85 64.500 28.983 12.862 1.00 0.00 C ATOM 1381 C SER A 85 64.094 28.411 14.217 1.00 0.00 C ATOM 1382 O SER A 85 63.038 28.747 14.754 1.00 0.00 O ATOM 1383 CB SER A 85 64.035 28.049 11.742 1.00 0.00 C ATOM 1384 OG SER A 85 62.673 28.277 11.421 1.00 0.00 O ATOM 0 H SER A 85 66.479 28.317 12.672 1.00 0.00 H new ATOM 0 HA SER A 85 64.021 29.954 12.739 1.00 0.00 H new ATOM 0 HB2 SER A 85 64.651 28.203 10.856 1.00 0.00 H new ATOM 0 HB3 SER A 85 64.171 27.012 12.049 1.00 0.00 H new ATOM 0 HG SER A 85 62.400 27.669 10.702 1.00 0.00 H new ATOM 1390 N ILE A 86 64.941 27.546 14.764 1.00 0.00 N ATOM 1391 CA ILE A 86 64.672 26.928 16.057 1.00 0.00 C ATOM 1392 C ILE A 86 64.333 27.979 17.109 1.00 0.00 C ATOM 1393 O ILE A 86 64.481 29.178 16.873 1.00 0.00 O ATOM 1394 CB ILE A 86 65.874 26.099 16.546 1.00 0.00 C ATOM 1395 CG1 ILE A 86 67.163 26.916 16.439 1.00 0.00 C ATOM 1396 CG2 ILE A 86 65.990 24.810 15.744 1.00 0.00 C ATOM 1397 CD1 ILE A 86 68.355 26.255 17.096 1.00 0.00 C ATOM 0 H ILE A 86 65.819 27.257 14.333 1.00 0.00 H new ATOM 0 HA ILE A 86 63.817 26.267 15.918 1.00 0.00 H new ATOM 0 HB ILE A 86 65.716 25.840 17.593 1.00 0.00 H new ATOM 0 HG12 ILE A 86 67.388 27.088 15.386 1.00 0.00 H new ATOM 0 HG13 ILE A 86 67.003 27.893 16.895 1.00 0.00 H new ATOM 0 HG21 ILE A 86 66.844 24.235 16.101 1.00 0.00 H new ATOM 0 HG22 ILE A 86 65.080 24.222 15.866 1.00 0.00 H new ATOM 0 HG23 ILE A 86 66.129 25.049 14.690 1.00 0.00 H new ATOM 0 HD11 ILE A 86 69.233 26.891 16.981 1.00 0.00 H new ATOM 0 HD12 ILE A 86 68.151 26.107 18.156 1.00 0.00 H new ATOM 0 HD13 ILE A 86 68.541 25.290 16.625 1.00 0.00 H new ATOM 1409 N ALA A 87 63.880 27.521 18.271 1.00 0.00 N ATOM 1410 CA ALA A 87 63.524 28.421 19.360 1.00 0.00 C ATOM 1411 C ALA A 87 64.655 29.399 19.656 1.00 0.00 C ATOM 1412 O ALA A 87 65.811 29.178 19.293 1.00 0.00 O ATOM 1413 CB ALA A 87 63.171 27.626 20.608 1.00 0.00 C ATOM 0 H ALA A 87 63.751 26.532 18.482 1.00 0.00 H new ATOM 0 HA ALA A 87 62.652 28.998 19.051 1.00 0.00 H new ATOM 0 HB1 ALA A 87 62.907 28.311 21.413 1.00 0.00 H new ATOM 0 HB2 ALA A 87 62.325 26.972 20.396 1.00 0.00 H new ATOM 0 HB3 ALA A 87 64.028 27.024 20.910 1.00 0.00 H new ATOM 1419 N PRO A 88 64.318 30.509 20.331 1.00 0.00 N ATOM 1420 CA PRO A 88 65.293 31.543 20.690 1.00 0.00 C ATOM 1421 C PRO A 88 66.271 31.071 21.761 1.00 0.00 C ATOM 1422 O PRO A 88 67.394 31.567 21.849 1.00 0.00 O ATOM 1423 CB PRO A 88 64.421 32.681 21.227 1.00 0.00 C ATOM 1424 CG PRO A 88 63.180 32.012 21.709 1.00 0.00 C ATOM 1425 CD PRO A 88 62.960 30.838 20.795 1.00 0.00 C ATOM 0 HA PRO A 88 65.916 31.828 19.842 1.00 0.00 H new ATOM 0 HB2 PRO A 88 64.921 33.216 22.034 1.00 0.00 H new ATOM 0 HB3 PRO A 88 64.200 33.412 20.449 1.00 0.00 H new ATOM 0 HG2 PRO A 88 63.289 31.686 22.743 1.00 0.00 H new ATOM 0 HG3 PRO A 88 62.331 32.695 21.678 1.00 0.00 H new ATOM 0 HD2 PRO A 88 62.501 30.000 21.320 1.00 0.00 H new ATOM 0 HD3 PRO A 88 62.302 31.093 19.964 1.00 0.00 H new ATOM 1433 N GLN A 89 65.837 30.111 22.570 1.00 0.00 N ATOM 1434 CA GLN A 89 66.676 29.573 23.635 1.00 0.00 C ATOM 1435 C GLN A 89 67.565 28.449 23.112 1.00 0.00 C ATOM 1436 O GLN A 89 68.539 28.065 23.759 1.00 0.00 O ATOM 1437 CB GLN A 89 65.809 29.060 24.786 1.00 0.00 C ATOM 1438 CG GLN A 89 65.073 27.769 24.464 1.00 0.00 C ATOM 1439 CD GLN A 89 63.629 27.791 24.926 1.00 0.00 C ATOM 1440 OE1 GLN A 89 62.868 28.696 24.581 1.00 0.00 O ATOM 1441 NE2 GLN A 89 63.242 26.792 25.710 1.00 0.00 N ATOM 0 H GLN A 89 64.910 29.690 22.509 1.00 0.00 H new ATOM 0 HA GLN A 89 67.315 30.377 24.001 1.00 0.00 H new ATOM 0 HB2 GLN A 89 66.439 28.901 25.661 1.00 0.00 H new ATOM 0 HB3 GLN A 89 65.081 29.827 25.052 1.00 0.00 H new ATOM 0 HG2 GLN A 89 65.104 27.596 23.388 1.00 0.00 H new ATOM 0 HG3 GLN A 89 65.589 26.933 24.936 1.00 0.00 H new ATOM 0 HE21 GLN A 89 63.905 26.063 25.972 1.00 0.00 H new ATOM 0 HE22 GLN A 89 62.281 26.754 26.051 1.00 0.00 H new ATOM 1450 N GLN A 90 67.223 27.928 21.939 1.00 0.00 N ATOM 1451 CA GLN A 90 67.990 26.848 21.330 1.00 0.00 C ATOM 1452 C GLN A 90 68.893 27.378 20.221 1.00 0.00 C ATOM 1453 O GLN A 90 69.747 26.658 19.704 1.00 0.00 O ATOM 1454 CB GLN A 90 67.051 25.778 20.771 1.00 0.00 C ATOM 1455 CG GLN A 90 65.953 25.366 21.739 1.00 0.00 C ATOM 1456 CD GLN A 90 65.348 24.019 21.397 1.00 0.00 C ATOM 1457 OE1 GLN A 90 66.038 23.121 20.912 1.00 0.00 O ATOM 1458 NE2 GLN A 90 64.053 23.870 21.648 1.00 0.00 N ATOM 0 H GLN A 90 66.420 28.236 21.391 1.00 0.00 H new ATOM 0 HA GLN A 90 68.617 26.403 22.103 1.00 0.00 H new ATOM 0 HB2 GLN A 90 66.594 26.150 19.854 1.00 0.00 H new ATOM 0 HB3 GLN A 90 67.635 24.898 20.502 1.00 0.00 H new ATOM 0 HG2 GLN A 90 66.359 25.331 22.750 1.00 0.00 H new ATOM 0 HG3 GLN A 90 65.169 26.123 21.737 1.00 0.00 H new ATOM 0 HE21 GLN A 90 63.520 24.641 22.050 1.00 0.00 H new ATOM 0 HE22 GLN A 90 63.591 22.985 21.438 1.00 0.00 H new ATOM 1467 N ARG A 91 68.698 28.642 19.861 1.00 0.00 N ATOM 1468 CA ARG A 91 69.493 29.269 18.812 1.00 0.00 C ATOM 1469 C ARG A 91 70.679 30.023 19.406 1.00 0.00 C ATOM 1470 O ARG A 91 71.235 30.922 18.774 1.00 0.00 O ATOM 1471 CB ARG A 91 68.628 30.225 17.988 1.00 0.00 C ATOM 1472 CG ARG A 91 68.304 31.525 18.706 1.00 0.00 C ATOM 1473 CD ARG A 91 67.491 32.460 17.824 1.00 0.00 C ATOM 1474 NE ARG A 91 66.226 31.860 17.410 1.00 0.00 N ATOM 1475 CZ ARG A 91 65.238 32.544 16.843 1.00 0.00 C ATOM 1476 NH1 ARG A 91 65.369 33.846 16.626 1.00 0.00 N ATOM 1477 NH2 ARG A 91 64.117 31.927 16.493 1.00 0.00 N ATOM 0 H ARG A 91 67.996 29.252 20.280 1.00 0.00 H new ATOM 0 HA ARG A 91 69.874 28.482 18.161 1.00 0.00 H new ATOM 0 HB2 ARG A 91 69.142 30.454 17.054 1.00 0.00 H new ATOM 0 HB3 ARG A 91 67.697 29.723 17.724 1.00 0.00 H new ATOM 0 HG2 ARG A 91 67.749 31.309 19.619 1.00 0.00 H new ATOM 0 HG3 ARG A 91 69.229 32.018 19.005 1.00 0.00 H new ATOM 0 HD2 ARG A 91 67.293 33.386 18.363 1.00 0.00 H new ATOM 0 HD3 ARG A 91 68.073 32.723 16.941 1.00 0.00 H new ATOM 0 HE ARG A 91 66.093 30.861 17.565 1.00 0.00 H new ATOM 0 HH11 ARG A 91 66.229 34.324 16.894 1.00 0.00 H new ATOM 0 HH12 ARG A 91 64.609 34.369 16.191 1.00 0.00 H new ATOM 0 HH21 ARG A 91 64.013 30.926 16.659 1.00 0.00 H new ATOM 0 HH22 ARG A 91 63.360 32.454 16.058 1.00 0.00 H new ATOM 1491 N ARG A 92 71.060 29.652 20.623 1.00 0.00 N ATOM 1492 CA ARG A 92 72.178 30.294 21.303 1.00 0.00 C ATOM 1493 C ARG A 92 73.501 29.935 20.633 1.00 0.00 C ATOM 1494 O ARG A 92 73.791 28.762 20.397 1.00 0.00 O ATOM 1495 CB ARG A 92 72.212 29.882 22.776 1.00 0.00 C ATOM 1496 CG ARG A 92 72.169 28.378 22.989 1.00 0.00 C ATOM 1497 CD ARG A 92 72.498 28.009 24.427 1.00 0.00 C ATOM 1498 NE ARG A 92 71.954 26.705 24.796 1.00 0.00 N ATOM 1499 CZ ARG A 92 72.394 25.989 25.824 1.00 0.00 C ATOM 1500 NH1 ARG A 92 73.381 26.448 26.582 1.00 0.00 N ATOM 1501 NH2 ARG A 92 71.848 24.811 26.097 1.00 0.00 N ATOM 0 H ARG A 92 70.611 28.910 21.159 1.00 0.00 H new ATOM 0 HA ARG A 92 72.038 31.373 21.238 1.00 0.00 H new ATOM 0 HB2 ARG A 92 73.117 30.280 23.235 1.00 0.00 H new ATOM 0 HB3 ARG A 92 71.367 30.338 23.292 1.00 0.00 H new ATOM 0 HG2 ARG A 92 71.179 28.001 22.733 1.00 0.00 H new ATOM 0 HG3 ARG A 92 72.877 27.894 22.317 1.00 0.00 H new ATOM 0 HD2 ARG A 92 73.580 28.001 24.561 1.00 0.00 H new ATOM 0 HD3 ARG A 92 72.099 28.771 25.097 1.00 0.00 H new ATOM 0 HE ARG A 92 71.194 26.323 24.233 1.00 0.00 H new ATOM 0 HH11 ARG A 92 73.804 27.353 26.376 1.00 0.00 H new ATOM 0 HH12 ARG A 92 73.717 25.896 27.371 1.00 0.00 H new ATOM 0 HH21 ARG A 92 71.089 24.454 25.517 1.00 0.00 H new ATOM 0 HH22 ARG A 92 72.187 24.262 26.887 1.00 0.00 H new ATOM 1515 N GLY A 93 74.300 30.952 20.328 1.00 0.00 N ATOM 1516 CA GLY A 93 75.582 30.723 19.688 1.00 0.00 C ATOM 1517 C GLY A 93 76.433 31.976 19.628 1.00 0.00 C ATOM 1518 O GLY A 93 76.651 32.636 20.643 1.00 0.00 O ATOM 0 H GLY A 93 74.082 31.931 20.513 1.00 0.00 H new ATOM 0 HA2 GLY A 93 76.122 29.947 20.230 1.00 0.00 H new ATOM 0 HA3 GLY A 93 75.418 30.350 18.677 1.00 0.00 H new ATOM 1522 N ALA A 94 76.916 32.305 18.434 1.00 0.00 N ATOM 1523 CA ALA A 94 77.748 33.487 18.246 1.00 0.00 C ATOM 1524 C ALA A 94 76.908 34.686 17.819 1.00 0.00 C ATOM 1525 O ALA A 94 75.786 34.547 17.331 1.00 0.00 O ATOM 1526 CB ALA A 94 78.835 33.209 17.218 1.00 0.00 C ATOM 0 H ALA A 94 76.745 31.770 17.583 1.00 0.00 H new ATOM 0 HA ALA A 94 78.218 33.726 19.200 1.00 0.00 H new ATOM 0 HB1 ALA A 94 79.449 34.100 17.087 1.00 0.00 H new ATOM 0 HB2 ALA A 94 79.460 32.385 17.563 1.00 0.00 H new ATOM 0 HB3 ALA A 94 78.376 32.942 16.266 1.00 0.00 H new ATOM 1532 N PRO A 95 77.461 35.894 18.005 1.00 0.00 N ATOM 1533 CA PRO A 95 76.780 37.141 17.646 1.00 0.00 C ATOM 1534 C PRO A 95 76.659 37.321 16.137 1.00 0.00 C ATOM 1535 O PRO A 95 77.616 37.713 15.469 1.00 0.00 O ATOM 1536 CB PRO A 95 77.683 38.223 18.243 1.00 0.00 C ATOM 1537 CG PRO A 95 79.032 37.595 18.313 1.00 0.00 C ATOM 1538 CD PRO A 95 78.795 36.135 18.581 1.00 0.00 C ATOM 0 HA PRO A 95 75.756 37.168 18.019 1.00 0.00 H new ATOM 0 HB2 PRO A 95 77.695 39.117 17.620 1.00 0.00 H new ATOM 0 HB3 PRO A 95 77.336 38.527 19.231 1.00 0.00 H new ATOM 0 HG2 PRO A 95 79.578 37.737 17.380 1.00 0.00 H new ATOM 0 HG3 PRO A 95 79.631 38.045 19.104 1.00 0.00 H new ATOM 0 HD2 PRO A 95 79.555 35.512 18.110 1.00 0.00 H new ATOM 0 HD3 PRO A 95 78.818 35.913 19.648 1.00 0.00 H new ATOM 1546 N VAL A 96 75.475 37.034 15.604 1.00 0.00 N ATOM 1547 CA VAL A 96 75.228 37.167 14.173 1.00 0.00 C ATOM 1548 C VAL A 96 74.102 38.157 13.899 1.00 0.00 C ATOM 1549 O VAL A 96 73.242 38.406 14.743 1.00 0.00 O ATOM 1550 CB VAL A 96 74.871 35.810 13.538 1.00 0.00 C ATOM 1551 CG1 VAL A 96 76.121 34.966 13.341 1.00 0.00 C ATOM 1552 CG2 VAL A 96 73.850 35.074 14.392 1.00 0.00 C ATOM 0 H VAL A 96 74.672 36.708 16.142 1.00 0.00 H new ATOM 0 HA VAL A 96 76.150 37.538 13.725 1.00 0.00 H new ATOM 0 HB VAL A 96 74.428 35.993 12.559 1.00 0.00 H new ATOM 0 HG11 VAL A 96 75.848 34.011 12.891 1.00 0.00 H new ATOM 0 HG12 VAL A 96 76.815 35.491 12.685 1.00 0.00 H new ATOM 0 HG13 VAL A 96 76.597 34.790 14.306 1.00 0.00 H new ATOM 0 HG21 VAL A 96 73.610 34.117 13.928 1.00 0.00 H new ATOM 0 HG22 VAL A 96 74.263 34.902 15.386 1.00 0.00 H new ATOM 0 HG23 VAL A 96 72.944 35.675 14.475 1.00 0.00 H new ATOM 1562 N PRO A 97 74.105 38.736 12.689 1.00 0.00 N ATOM 1563 CA PRO A 97 73.090 39.708 12.274 1.00 0.00 C ATOM 1564 C PRO A 97 71.722 39.066 12.071 1.00 0.00 C ATOM 1565 O PRO A 97 71.612 37.993 11.480 1.00 0.00 O ATOM 1566 CB PRO A 97 73.632 40.243 10.946 1.00 0.00 C ATOM 1567 CG PRO A 97 74.501 39.151 10.425 1.00 0.00 C ATOM 1568 CD PRO A 97 75.101 38.486 11.633 1.00 0.00 C ATOM 0 HA PRO A 97 72.933 40.480 13.027 1.00 0.00 H new ATOM 0 HB2 PRO A 97 72.824 40.471 10.251 1.00 0.00 H new ATOM 0 HB3 PRO A 97 74.197 41.164 11.091 1.00 0.00 H new ATOM 0 HG2 PRO A 97 73.923 38.440 9.835 1.00 0.00 H new ATOM 0 HG3 PRO A 97 75.278 39.549 9.772 1.00 0.00 H new ATOM 0 HD2 PRO A 97 75.255 37.419 11.470 1.00 0.00 H new ATOM 0 HD3 PRO A 97 76.071 38.913 11.886 1.00 0.00 H new ATOM 1576 N GLN A 98 70.682 39.731 12.566 1.00 0.00 N ATOM 1577 CA GLN A 98 69.321 39.224 12.438 1.00 0.00 C ATOM 1578 C GLN A 98 68.907 39.140 10.972 1.00 0.00 C ATOM 1579 O GLN A 98 68.178 38.231 10.575 1.00 0.00 O ATOM 1580 CB GLN A 98 68.346 40.119 13.205 1.00 0.00 C ATOM 1581 CG GLN A 98 68.491 41.597 12.879 1.00 0.00 C ATOM 1582 CD GLN A 98 67.211 42.204 12.340 1.00 0.00 C ATOM 1583 OE1 GLN A 98 67.191 42.769 11.246 1.00 0.00 O ATOM 1584 NE2 GLN A 98 66.133 42.089 13.107 1.00 0.00 N ATOM 0 H GLN A 98 70.756 40.621 13.059 1.00 0.00 H new ATOM 0 HA GLN A 98 69.293 38.221 12.863 1.00 0.00 H new ATOM 0 HB2 GLN A 98 67.326 39.805 12.983 1.00 0.00 H new ATOM 0 HB3 GLN A 98 68.498 39.975 14.275 1.00 0.00 H new ATOM 0 HG2 GLN A 98 68.794 42.135 13.777 1.00 0.00 H new ATOM 0 HG3 GLN A 98 69.287 41.727 12.146 1.00 0.00 H new ATOM 0 HE21 GLN A 98 66.196 41.612 14.007 1.00 0.00 H new ATOM 0 HE22 GLN A 98 65.242 42.477 12.796 1.00 0.00 H new ATOM 1593 N GLU A 99 69.376 40.094 10.174 1.00 0.00 N ATOM 1594 CA GLU A 99 69.052 40.128 8.753 1.00 0.00 C ATOM 1595 C GLU A 99 69.415 38.807 8.081 1.00 0.00 C ATOM 1596 O GLU A 99 68.666 38.295 7.247 1.00 0.00 O ATOM 1597 CB GLU A 99 69.788 41.280 8.067 1.00 0.00 C ATOM 1598 CG GLU A 99 71.266 41.351 8.412 1.00 0.00 C ATOM 1599 CD GLU A 99 71.999 42.421 7.627 1.00 0.00 C ATOM 1600 OE1 GLU A 99 71.948 42.382 6.380 1.00 0.00 O ATOM 1601 OE2 GLU A 99 72.622 43.298 8.260 1.00 0.00 O ATOM 0 H GLU A 99 69.981 40.853 10.487 1.00 0.00 H new ATOM 0 HA GLU A 99 67.978 40.283 8.655 1.00 0.00 H new ATOM 0 HB2 GLU A 99 69.680 41.177 6.987 1.00 0.00 H new ATOM 0 HB3 GLU A 99 69.313 42.221 8.346 1.00 0.00 H new ATOM 0 HG2 GLU A 99 71.377 41.548 9.478 1.00 0.00 H new ATOM 0 HG3 GLU A 99 71.727 40.383 8.217 1.00 0.00 H new ATOM 1608 N LEU A 100 70.568 38.260 8.449 1.00 0.00 N ATOM 1609 CA LEU A 100 71.032 36.998 7.883 1.00 0.00 C ATOM 1610 C LEU A 100 70.005 35.892 8.104 1.00 0.00 C ATOM 1611 O LEU A 100 69.762 35.070 7.219 1.00 0.00 O ATOM 1612 CB LEU A 100 72.371 36.599 8.505 1.00 0.00 C ATOM 1613 CG LEU A 100 73.616 36.899 7.669 1.00 0.00 C ATOM 1614 CD1 LEU A 100 73.656 38.369 7.280 1.00 0.00 C ATOM 1615 CD2 LEU A 100 74.876 36.512 8.430 1.00 0.00 C ATOM 0 H LEU A 100 71.199 38.671 9.137 1.00 0.00 H new ATOM 0 HA LEU A 100 71.164 37.136 6.810 1.00 0.00 H new ATOM 0 HB2 LEU A 100 72.470 37.109 9.463 1.00 0.00 H new ATOM 0 HB3 LEU A 100 72.347 35.529 8.714 1.00 0.00 H new ATOM 0 HG LEU A 100 73.570 36.304 6.757 1.00 0.00 H new ATOM 0 HD11 LEU A 100 74.549 38.564 6.686 1.00 0.00 H new ATOM 0 HD12 LEU A 100 72.770 38.615 6.695 1.00 0.00 H new ATOM 0 HD13 LEU A 100 73.678 38.983 8.180 1.00 0.00 H new ATOM 0 HD21 LEU A 100 75.752 36.733 7.820 1.00 0.00 H new ATOM 0 HD22 LEU A 100 74.929 37.080 9.359 1.00 0.00 H new ATOM 0 HD23 LEU A 100 74.851 35.446 8.657 1.00 0.00 H new ATOM 1627 N LEU A 101 69.405 35.877 9.289 1.00 0.00 N ATOM 1628 CA LEU A 101 68.402 34.873 9.626 1.00 0.00 C ATOM 1629 C LEU A 101 67.075 35.176 8.938 1.00 0.00 C ATOM 1630 O LEU A 101 66.281 34.273 8.674 1.00 0.00 O ATOM 1631 CB LEU A 101 68.202 34.813 11.141 1.00 0.00 C ATOM 1632 CG LEU A 101 69.446 34.489 11.970 1.00 0.00 C ATOM 1633 CD1 LEU A 101 70.469 33.743 11.128 1.00 0.00 C ATOM 1634 CD2 LEU A 101 70.051 35.763 12.543 1.00 0.00 C ATOM 0 H LEU A 101 69.596 36.549 10.033 1.00 0.00 H new ATOM 0 HA LEU A 101 68.760 33.905 9.274 1.00 0.00 H new ATOM 0 HB2 LEU A 101 67.808 35.773 11.474 1.00 0.00 H new ATOM 0 HB3 LEU A 101 67.440 34.064 11.357 1.00 0.00 H new ATOM 0 HG LEU A 101 69.150 33.846 12.799 1.00 0.00 H new ATOM 0 HD11 LEU A 101 71.347 33.521 11.734 1.00 0.00 H new ATOM 0 HD12 LEU A 101 70.033 32.812 10.766 1.00 0.00 H new ATOM 0 HD13 LEU A 101 70.761 34.361 10.279 1.00 0.00 H new ATOM 0 HD21 LEU A 101 70.935 35.514 13.130 1.00 0.00 H new ATOM 0 HD22 LEU A 101 70.332 36.430 11.729 1.00 0.00 H new ATOM 0 HD23 LEU A 101 69.319 36.258 13.181 1.00 0.00 H new ATOM 1646 N ASP A 102 66.842 36.452 8.649 1.00 0.00 N ATOM 1647 CA ASP A 102 65.613 36.874 7.988 1.00 0.00 C ATOM 1648 C ASP A 102 65.647 36.528 6.503 1.00 0.00 C ATOM 1649 O ASP A 102 64.624 36.181 5.913 1.00 0.00 O ATOM 1650 CB ASP A 102 65.402 38.378 8.170 1.00 0.00 C ATOM 1651 CG ASP A 102 63.999 38.815 7.798 1.00 0.00 C ATOM 1652 OD1 ASP A 102 63.044 38.070 8.105 1.00 0.00 O ATOM 1653 OD2 ASP A 102 63.855 39.902 7.201 1.00 0.00 O ATOM 0 H ASP A 102 67.488 37.212 8.862 1.00 0.00 H new ATOM 0 HA ASP A 102 64.781 36.340 8.447 1.00 0.00 H new ATOM 0 HB2 ASP A 102 65.600 38.647 9.208 1.00 0.00 H new ATOM 0 HB3 ASP A 102 66.123 38.920 7.557 1.00 0.00 H new ATOM 1658 N ARG A 103 66.830 36.626 5.905 1.00 0.00 N ATOM 1659 CA ARG A 103 66.997 36.326 4.488 1.00 0.00 C ATOM 1660 C ARG A 103 67.000 34.819 4.249 1.00 0.00 C ATOM 1661 O ARG A 103 66.387 34.330 3.300 1.00 0.00 O ATOM 1662 CB ARG A 103 68.298 36.939 3.965 1.00 0.00 C ATOM 1663 CG ARG A 103 69.533 36.488 4.728 1.00 0.00 C ATOM 1664 CD ARG A 103 70.792 37.153 4.192 1.00 0.00 C ATOM 1665 NE ARG A 103 70.910 37.014 2.743 1.00 0.00 N ATOM 1666 CZ ARG A 103 71.772 37.706 2.006 1.00 0.00 C ATOM 1667 NH1 ARG A 103 72.587 38.580 2.580 1.00 0.00 N ATOM 1668 NH2 ARG A 103 71.820 37.523 0.693 1.00 0.00 N ATOM 0 H ARG A 103 67.687 36.911 6.380 1.00 0.00 H new ATOM 0 HA ARG A 103 66.156 36.761 3.948 1.00 0.00 H new ATOM 0 HB2 ARG A 103 68.416 36.678 2.913 1.00 0.00 H new ATOM 0 HB3 ARG A 103 68.225 38.025 4.018 1.00 0.00 H new ATOM 0 HG2 ARG A 103 69.416 36.726 5.785 1.00 0.00 H new ATOM 0 HG3 ARG A 103 69.632 35.405 4.654 1.00 0.00 H new ATOM 0 HD2 ARG A 103 70.783 38.211 4.455 1.00 0.00 H new ATOM 0 HD3 ARG A 103 71.667 36.713 4.671 1.00 0.00 H new ATOM 0 HE ARG A 103 70.297 36.349 2.271 1.00 0.00 H new ATOM 0 HH11 ARG A 103 72.553 38.722 3.589 1.00 0.00 H new ATOM 0 HH12 ARG A 103 73.248 39.110 2.012 1.00 0.00 H new ATOM 0 HH21 ARG A 103 71.195 36.851 0.249 1.00 0.00 H new ATOM 0 HH22 ARG A 103 72.482 38.055 0.128 1.00 0.00 H new ATOM 1682 N VAL A 104 67.694 34.089 5.115 1.00 0.00 N ATOM 1683 CA VAL A 104 67.777 32.638 4.998 1.00 0.00 C ATOM 1684 C VAL A 104 66.430 31.985 5.289 1.00 0.00 C ATOM 1685 O VAL A 104 66.046 31.012 4.639 1.00 0.00 O ATOM 1686 CB VAL A 104 68.834 32.056 5.956 1.00 0.00 C ATOM 1687 CG1 VAL A 104 70.200 32.661 5.674 1.00 0.00 C ATOM 1688 CG2 VAL A 104 68.426 32.290 7.403 1.00 0.00 C ATOM 0 H VAL A 104 68.207 34.478 5.906 1.00 0.00 H new ATOM 0 HA VAL A 104 68.069 32.420 3.971 1.00 0.00 H new ATOM 0 HB VAL A 104 68.898 30.981 5.790 1.00 0.00 H new ATOM 0 HG11 VAL A 104 70.934 32.238 6.360 1.00 0.00 H new ATOM 0 HG12 VAL A 104 70.492 32.438 4.648 1.00 0.00 H new ATOM 0 HG13 VAL A 104 70.155 33.741 5.812 1.00 0.00 H new ATOM 0 HG21 VAL A 104 69.183 31.873 8.067 1.00 0.00 H new ATOM 0 HG22 VAL A 104 68.333 33.360 7.586 1.00 0.00 H new ATOM 0 HG23 VAL A 104 67.469 31.805 7.594 1.00 0.00 H new ATOM 1698 N LEU A 105 65.716 32.528 6.269 1.00 0.00 N ATOM 1699 CA LEU A 105 64.409 31.999 6.647 1.00 0.00 C ATOM 1700 C LEU A 105 63.364 32.321 5.583 1.00 0.00 C ATOM 1701 O LEU A 105 62.655 31.434 5.108 1.00 0.00 O ATOM 1702 CB LEU A 105 63.975 32.575 7.996 1.00 0.00 C ATOM 1703 CG LEU A 105 64.640 31.965 9.231 1.00 0.00 C ATOM 1704 CD1 LEU A 105 64.280 32.760 10.477 1.00 0.00 C ATOM 1705 CD2 LEU A 105 64.234 30.507 9.390 1.00 0.00 C ATOM 0 H LEU A 105 66.019 33.334 6.816 1.00 0.00 H new ATOM 0 HA LEU A 105 64.493 30.916 6.732 1.00 0.00 H new ATOM 0 HB2 LEU A 105 64.175 33.647 7.992 1.00 0.00 H new ATOM 0 HB3 LEU A 105 62.896 32.452 8.091 1.00 0.00 H new ATOM 0 HG LEU A 105 65.721 32.007 9.097 1.00 0.00 H new ATOM 0 HD11 LEU A 105 64.762 32.312 11.346 1.00 0.00 H new ATOM 0 HD12 LEU A 105 64.621 33.789 10.363 1.00 0.00 H new ATOM 0 HD13 LEU A 105 63.199 32.749 10.616 1.00 0.00 H new ATOM 0 HD21 LEU A 105 64.716 30.089 10.274 1.00 0.00 H new ATOM 0 HD22 LEU A 105 63.152 30.441 9.502 1.00 0.00 H new ATOM 0 HD23 LEU A 105 64.543 29.945 8.508 1.00 0.00 H new ATOM 1717 N ALA A 106 63.275 33.594 5.214 1.00 0.00 N ATOM 1718 CA ALA A 106 62.320 34.032 4.204 1.00 0.00 C ATOM 1719 C ALA A 106 62.526 33.282 2.892 1.00 0.00 C ATOM 1720 O ALA A 106 61.567 32.823 2.272 1.00 0.00 O ATOM 1721 CB ALA A 106 62.439 35.532 3.980 1.00 0.00 C ATOM 0 H ALA A 106 63.853 34.341 5.600 1.00 0.00 H new ATOM 0 HA ALA A 106 61.317 33.808 4.567 1.00 0.00 H new ATOM 0 HB1 ALA A 106 61.720 35.845 3.223 1.00 0.00 H new ATOM 0 HB2 ALA A 106 62.235 36.057 4.913 1.00 0.00 H new ATOM 0 HB3 ALA A 106 63.448 35.771 3.643 1.00 0.00 H new ATOM 1727 N ALA A 107 63.782 33.162 2.475 1.00 0.00 N ATOM 1728 CA ALA A 107 64.113 32.466 1.238 1.00 0.00 C ATOM 1729 C ALA A 107 63.763 30.985 1.330 1.00 0.00 C ATOM 1730 O ALA A 107 63.194 30.414 0.401 1.00 0.00 O ATOM 1731 CB ALA A 107 65.588 32.642 0.912 1.00 0.00 C ATOM 0 H ALA A 107 64.587 33.538 2.976 1.00 0.00 H new ATOM 0 HA ALA A 107 63.520 32.903 0.435 1.00 0.00 H new ATOM 0 HB1 ALA A 107 65.821 32.117 -0.014 1.00 0.00 H new ATOM 0 HB2 ALA A 107 65.810 33.702 0.794 1.00 0.00 H new ATOM 0 HB3 ALA A 107 66.191 32.233 1.723 1.00 0.00 H new ATOM 1737 N GLN A 108 64.107 30.369 2.457 1.00 0.00 N ATOM 1738 CA GLN A 108 63.830 28.953 2.669 1.00 0.00 C ATOM 1739 C GLN A 108 62.349 28.652 2.463 1.00 0.00 C ATOM 1740 O GLN A 108 61.990 27.719 1.745 1.00 0.00 O ATOM 1741 CB GLN A 108 64.257 28.534 4.076 1.00 0.00 C ATOM 1742 CG GLN A 108 64.225 27.030 4.299 1.00 0.00 C ATOM 1743 CD GLN A 108 65.463 26.335 3.766 1.00 0.00 C ATOM 1744 OE1 GLN A 108 66.580 26.607 4.207 1.00 0.00 O ATOM 1745 NE2 GLN A 108 65.270 25.432 2.812 1.00 0.00 N ATOM 0 H GLN A 108 64.578 30.828 3.237 1.00 0.00 H new ATOM 0 HA GLN A 108 64.403 28.382 1.938 1.00 0.00 H new ATOM 0 HB2 GLN A 108 65.266 28.899 4.264 1.00 0.00 H new ATOM 0 HB3 GLN A 108 63.603 29.015 4.804 1.00 0.00 H new ATOM 0 HG2 GLN A 108 64.129 26.827 5.366 1.00 0.00 H new ATOM 0 HG3 GLN A 108 63.342 26.613 3.815 1.00 0.00 H new ATOM 0 HE21 GLN A 108 64.326 25.238 2.476 1.00 0.00 H new ATOM 0 HE22 GLN A 108 66.065 24.932 2.415 1.00 0.00 H new ATOM 1754 N ALA A 109 61.495 29.447 3.097 1.00 0.00 N ATOM 1755 CA ALA A 109 60.053 29.266 2.982 1.00 0.00 C ATOM 1756 C ALA A 109 59.558 29.667 1.596 1.00 0.00 C ATOM 1757 O ALA A 109 58.698 29.003 1.018 1.00 0.00 O ATOM 1758 CB ALA A 109 59.333 30.070 4.054 1.00 0.00 C ATOM 0 H ALA A 109 61.776 30.223 3.696 1.00 0.00 H new ATOM 0 HA ALA A 109 59.832 28.208 3.126 1.00 0.00 H new ATOM 0 HB1 ALA A 109 58.257 29.925 3.956 1.00 0.00 H new ATOM 0 HB2 ALA A 109 59.656 29.734 5.039 1.00 0.00 H new ATOM 0 HB3 ALA A 109 59.569 31.128 3.936 1.00 0.00 H new ATOM 1764 N TYR A 110 60.106 30.756 1.070 1.00 0.00 N ATOM 1765 CA TYR A 110 59.718 31.247 -0.247 1.00 0.00 C ATOM 1766 C TYR A 110 59.988 30.198 -1.321 1.00 0.00 C ATOM 1767 O TYR A 110 59.170 29.984 -2.215 1.00 0.00 O ATOM 1768 CB TYR A 110 60.473 32.536 -0.577 1.00 0.00 C ATOM 1769 CG TYR A 110 59.735 33.791 -0.168 1.00 0.00 C ATOM 1770 CD1 TYR A 110 59.084 33.870 1.057 1.00 0.00 C ATOM 1771 CD2 TYR A 110 59.687 34.897 -1.007 1.00 0.00 C ATOM 1772 CE1 TYR A 110 58.408 35.014 1.434 1.00 0.00 C ATOM 1773 CE2 TYR A 110 59.015 36.046 -0.638 1.00 0.00 C ATOM 1774 CZ TYR A 110 58.376 36.100 0.584 1.00 0.00 C ATOM 1775 OH TYR A 110 57.704 37.242 0.955 1.00 0.00 O ATOM 0 H TYR A 110 60.820 31.316 1.535 1.00 0.00 H new ATOM 0 HA TYR A 110 58.648 31.455 -0.228 1.00 0.00 H new ATOM 0 HB2 TYR A 110 61.443 32.517 -0.080 1.00 0.00 H new ATOM 0 HB3 TYR A 110 60.665 32.570 -1.649 1.00 0.00 H new ATOM 0 HD1 TYR A 110 59.107 33.022 1.726 1.00 0.00 H new ATOM 0 HD2 TYR A 110 60.184 34.858 -1.965 1.00 0.00 H new ATOM 0 HE1 TYR A 110 57.907 35.058 2.390 1.00 0.00 H new ATOM 0 HE2 TYR A 110 58.990 36.897 -1.302 1.00 0.00 H new ATOM 0 HH TYR A 110 57.780 37.912 0.244 1.00 0.00 H new ATOM 1785 N TRP A 111 61.141 29.546 -1.225 1.00 0.00 N ATOM 1786 CA TRP A 111 61.520 28.518 -2.187 1.00 0.00 C ATOM 1787 C TRP A 111 60.760 27.222 -1.927 1.00 0.00 C ATOM 1788 O TRP A 111 60.665 26.361 -2.802 1.00 0.00 O ATOM 1789 CB TRP A 111 63.027 28.261 -2.124 1.00 0.00 C ATOM 1790 CG TRP A 111 63.847 29.406 -2.638 1.00 0.00 C ATOM 1791 CD1 TRP A 111 64.874 30.033 -1.993 1.00 0.00 C ATOM 1792 CD2 TRP A 111 63.706 30.060 -3.904 1.00 0.00 C ATOM 1793 NE1 TRP A 111 65.381 31.037 -2.781 1.00 0.00 N ATOM 1794 CE2 TRP A 111 64.682 31.074 -3.959 1.00 0.00 C ATOM 1795 CE3 TRP A 111 62.853 29.886 -4.996 1.00 0.00 C ATOM 1796 CZ2 TRP A 111 64.825 31.910 -5.063 1.00 0.00 C ATOM 1797 CZ3 TRP A 111 62.996 30.717 -6.091 1.00 0.00 C ATOM 1798 CH2 TRP A 111 63.976 31.718 -6.119 1.00 0.00 C ATOM 0 H TRP A 111 61.830 29.711 -0.491 1.00 0.00 H new ATOM 0 HA TRP A 111 61.261 28.876 -3.183 1.00 0.00 H new ATOM 0 HB2 TRP A 111 63.310 28.055 -1.092 1.00 0.00 H new ATOM 0 HB3 TRP A 111 63.260 27.367 -2.703 1.00 0.00 H new ATOM 0 HD1 TRP A 111 65.235 29.777 -1.008 1.00 0.00 H new ATOM 0 HE1 TRP A 111 66.153 31.655 -2.530 1.00 0.00 H new ATOM 0 HE3 TRP A 111 62.096 29.116 -4.985 1.00 0.00 H new ATOM 0 HZ2 TRP A 111 65.579 32.683 -5.085 1.00 0.00 H new ATOM 0 HZ3 TRP A 111 62.341 30.593 -6.940 1.00 0.00 H new ATOM 0 HH2 TRP A 111 64.063 32.350 -6.990 1.00 0.00 H new ATOM 1809 N SER A 112 60.220 27.090 -0.720 1.00 0.00 N ATOM 1810 CA SER A 112 59.470 25.897 -0.345 1.00 0.00 C ATOM 1811 C SER A 112 58.091 25.895 -0.996 1.00 0.00 C ATOM 1812 O SER A 112 57.512 26.950 -1.255 1.00 0.00 O ATOM 1813 CB SER A 112 59.329 25.816 1.177 1.00 0.00 C ATOM 1814 OG SER A 112 58.216 25.019 1.543 1.00 0.00 O ATOM 0 H SER A 112 60.288 27.794 0.015 1.00 0.00 H new ATOM 0 HA SER A 112 60.020 25.025 -0.699 1.00 0.00 H new ATOM 0 HB2 SER A 112 60.238 25.397 1.608 1.00 0.00 H new ATOM 0 HB3 SER A 112 59.214 26.819 1.589 1.00 0.00 H new ATOM 0 HG SER A 112 58.148 24.981 2.520 1.00 0.00 H new