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= -0.0889 X(o=-0.089,f=0) USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 LYS NZ :NH3+ 164:sc= 0 (180deg=-0.215) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 THR OG1 : rot 86:sc= 1.19 USER MOD Single : A 82 HIS : no HD1:sc= -0.048 X(o=-0.048,f=-0.17) USER MOD Single : A 83 THR OG1 : rot 73:sc= 0.346 USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 89 GLN : amide:sc= 0 X(o=0,f=-0.32) USER MOD Single : A 90 GLN : amide:sc=-0.00216 K(o=-0.0022,f=-1.5) USER MOD Single : A 98 GLN : amide:sc= 0 K(o=0,f=-0.83) USER MOD Single : A 108 GLN : amide:sc= -1.79! C(o=-1.8!,f=-4.1!) 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 81.101 30.599 11.447 1.00 0.00 N ATOM 527 CA PHE A 34 81.243 31.234 10.142 1.00 0.00 C ATOM 528 C PHE A 34 81.270 32.754 10.277 1.00 0.00 C ATOM 529 O PHE A 34 80.884 33.305 11.308 1.00 0.00 O ATOM 530 CB PHE A 34 80.098 30.813 9.218 1.00 0.00 C ATOM 531 CG PHE A 34 78.791 30.621 9.933 1.00 0.00 C ATOM 532 CD1 PHE A 34 78.260 31.632 10.716 1.00 0.00 C ATOM 533 CD2 PHE A 34 78.095 29.428 9.822 1.00 0.00 C ATOM 534 CE1 PHE A 34 77.057 31.459 11.375 1.00 0.00 C ATOM 535 CE2 PHE A 34 76.891 29.249 10.478 1.00 0.00 C ATOM 536 CZ PHE A 34 76.372 30.266 11.256 1.00 0.00 C ATOM 0 HA PHE A 34 82.188 30.908 9.708 1.00 0.00 H new ATOM 0 HB2 PHE A 34 79.971 31.568 8.442 1.00 0.00 H new ATOM 0 HB3 PHE A 34 80.369 29.884 8.717 1.00 0.00 H new ATOM 0 HD1 PHE A 34 78.792 32.567 10.813 1.00 0.00 H new ATOM 0 HD2 PHE A 34 78.497 28.629 9.217 1.00 0.00 H new ATOM 0 HE1 PHE A 34 76.654 32.256 11.982 1.00 0.00 H new ATOM 0 HE2 PHE A 34 76.357 28.315 10.382 1.00 0.00 H new ATOM 0 HZ PHE A 34 75.432 30.128 11.770 1.00 0.00 H new ATOM 546 N THR A 35 81.728 33.427 9.226 1.00 0.00 N ATOM 547 CA THR A 35 81.807 34.883 9.226 1.00 0.00 C ATOM 548 C THR A 35 80.627 35.497 8.483 1.00 0.00 C ATOM 549 O THR A 35 80.082 34.896 7.558 1.00 0.00 O ATOM 550 CB THR A 35 83.118 35.374 8.582 1.00 0.00 C ATOM 551 OG1 THR A 35 84.202 34.522 8.967 1.00 0.00 O ATOM 552 CG2 THR A 35 83.420 36.806 8.996 1.00 0.00 C ATOM 0 H THR A 35 82.050 32.987 8.364 1.00 0.00 H new ATOM 0 HA THR A 35 81.782 35.202 10.268 1.00 0.00 H new ATOM 0 HB THR A 35 82.999 35.343 7.499 1.00 0.00 H new ATOM 0 HG1 THR A 35 85.031 34.840 8.552 1.00 0.00 H new ATOM 0 HG21 THR A 35 84.350 37.131 8.529 1.00 0.00 H new ATOM 0 HG22 THR A 35 82.606 37.457 8.676 1.00 0.00 H new ATOM 0 HG23 THR A 35 83.521 36.858 10.080 1.00 0.00 H new ATOM 560 N VAL A 36 80.237 36.700 8.892 1.00 0.00 N ATOM 561 CA VAL A 36 79.122 37.398 8.263 1.00 0.00 C ATOM 562 C VAL A 36 79.289 37.447 6.749 1.00 0.00 C ATOM 563 O VAL A 36 78.316 37.341 6.003 1.00 0.00 O ATOM 564 CB VAL A 36 78.984 38.835 8.801 1.00 0.00 C ATOM 565 CG1 VAL A 36 80.270 39.615 8.577 1.00 0.00 C ATOM 566 CG2 VAL A 36 77.804 39.537 8.146 1.00 0.00 C ATOM 0 H VAL A 36 80.677 37.212 9.657 1.00 0.00 H new ATOM 0 HA VAL A 36 78.219 36.839 8.508 1.00 0.00 H new ATOM 0 HB VAL A 36 78.799 38.787 9.874 1.00 0.00 H new ATOM 0 HG11 VAL A 36 80.153 40.628 8.963 1.00 0.00 H new ATOM 0 HG12 VAL A 36 81.091 39.121 9.097 1.00 0.00 H new ATOM 0 HG13 VAL A 36 80.489 39.657 7.510 1.00 0.00 H new ATOM 0 HG21 VAL A 36 77.721 40.551 8.537 1.00 0.00 H new ATOM 0 HG22 VAL A 36 77.957 39.576 7.067 1.00 0.00 H new ATOM 0 HG23 VAL A 36 76.888 38.988 8.363 1.00 0.00 H new ATOM 576 N ALA A 37 80.530 37.609 6.301 1.00 0.00 N ATOM 577 CA ALA A 37 80.825 37.670 4.875 1.00 0.00 C ATOM 578 C ALA A 37 80.684 36.298 4.226 1.00 0.00 C ATOM 579 O ALA A 37 80.033 36.155 3.191 1.00 0.00 O ATOM 580 CB ALA A 37 82.225 38.222 4.649 1.00 0.00 C ATOM 0 H ALA A 37 81.347 37.700 6.905 1.00 0.00 H new ATOM 0 HA ALA A 37 80.103 38.339 4.408 1.00 0.00 H new ATOM 0 HB1 ALA A 37 82.432 38.262 3.580 1.00 0.00 H new ATOM 0 HB2 ALA A 37 82.293 39.225 5.070 1.00 0.00 H new ATOM 0 HB3 ALA A 37 82.954 37.575 5.136 1.00 0.00 H new ATOM 586 N GLU A 38 81.299 35.292 4.840 1.00 0.00 N ATOM 587 CA GLU A 38 81.242 33.931 4.319 1.00 0.00 C ATOM 588 C GLU A 38 79.799 33.441 4.233 1.00 0.00 C ATOM 589 O GLU A 38 79.396 32.835 3.241 1.00 0.00 O ATOM 590 CB GLU A 38 82.060 32.988 5.204 1.00 0.00 C ATOM 591 CG GLU A 38 83.562 33.181 5.074 1.00 0.00 C ATOM 592 CD GLU A 38 84.065 32.914 3.669 1.00 0.00 C ATOM 593 OE1 GLU A 38 83.422 32.119 2.951 1.00 0.00 O ATOM 594 OE2 GLU A 38 85.101 33.497 3.288 1.00 0.00 O ATOM 0 H GLU A 38 81.842 35.394 5.698 1.00 0.00 H new ATOM 0 HA GLU A 38 81.666 33.936 3.315 1.00 0.00 H new ATOM 0 HB2 GLU A 38 81.772 33.138 6.244 1.00 0.00 H new ATOM 0 HB3 GLU A 38 81.811 31.958 4.950 1.00 0.00 H new ATOM 0 HG2 GLU A 38 83.820 34.201 5.360 1.00 0.00 H new ATOM 0 HG3 GLU A 38 84.072 32.516 5.771 1.00 0.00 H new ATOM 601 N VAL A 39 79.026 33.708 5.281 1.00 0.00 N ATOM 602 CA VAL A 39 77.628 33.296 5.325 1.00 0.00 C ATOM 603 C VAL A 39 76.808 34.022 4.265 1.00 0.00 C ATOM 604 O VAL A 39 75.996 33.412 3.570 1.00 0.00 O ATOM 605 CB VAL A 39 77.008 33.561 6.710 1.00 0.00 C ATOM 606 CG1 VAL A 39 75.538 33.171 6.720 1.00 0.00 C ATOM 607 CG2 VAL A 39 77.775 32.812 7.789 1.00 0.00 C ATOM 0 H VAL A 39 79.344 34.208 6.111 1.00 0.00 H new ATOM 0 HA VAL A 39 77.607 32.225 5.125 1.00 0.00 H new ATOM 0 HB VAL A 39 77.077 34.628 6.922 1.00 0.00 H new ATOM 0 HG11 VAL A 39 75.117 33.365 7.706 1.00 0.00 H new ATOM 0 HG12 VAL A 39 75.001 33.757 5.974 1.00 0.00 H new ATOM 0 HG13 VAL A 39 75.441 32.111 6.486 1.00 0.00 H new ATOM 0 HG21 VAL A 39 77.323 33.011 8.761 1.00 0.00 H new ATOM 0 HG22 VAL A 39 77.740 31.742 7.584 1.00 0.00 H new ATOM 0 HG23 VAL A 39 78.813 33.146 7.796 1.00 0.00 H new ATOM 617 N GLU A 40 77.026 35.328 4.147 1.00 0.00 N ATOM 618 CA GLU A 40 76.306 36.137 3.171 1.00 0.00 C ATOM 619 C GLU A 40 76.447 35.552 1.769 1.00 0.00 C ATOM 620 O GLU A 40 75.457 35.351 1.065 1.00 0.00 O ATOM 621 CB GLU A 40 76.822 37.577 3.190 1.00 0.00 C ATOM 622 CG GLU A 40 76.123 38.461 4.209 1.00 0.00 C ATOM 623 CD GLU A 40 76.833 39.785 4.418 1.00 0.00 C ATOM 624 OE1 GLU A 40 77.977 39.926 3.936 1.00 0.00 O ATOM 625 OE2 GLU A 40 76.247 40.678 5.063 1.00 0.00 O ATOM 0 H GLU A 40 77.695 35.848 4.715 1.00 0.00 H new ATOM 0 HA GLU A 40 75.250 36.134 3.442 1.00 0.00 H new ATOM 0 HB2 GLU A 40 77.891 37.568 3.402 1.00 0.00 H new ATOM 0 HB3 GLU A 40 76.697 38.012 2.198 1.00 0.00 H new ATOM 0 HG2 GLU A 40 75.101 38.649 3.881 1.00 0.00 H new ATOM 0 HG3 GLU A 40 76.060 37.933 5.160 1.00 0.00 H new ATOM 632 N LEU A 41 77.685 35.282 1.370 1.00 0.00 N ATOM 633 CA LEU A 41 77.958 34.720 0.051 1.00 0.00 C ATOM 634 C LEU A 41 77.391 33.309 -0.068 1.00 0.00 C ATOM 635 O LEU A 41 76.918 32.906 -1.131 1.00 0.00 O ATOM 636 CB LEU A 41 79.464 34.702 -0.215 1.00 0.00 C ATOM 637 CG LEU A 41 80.201 36.024 0.002 1.00 0.00 C ATOM 638 CD1 LEU A 41 81.689 35.780 0.197 1.00 0.00 C ATOM 639 CD2 LEU A 41 79.961 36.967 -1.168 1.00 0.00 C ATOM 0 H LEU A 41 78.515 35.443 1.940 1.00 0.00 H new ATOM 0 HA LEU A 41 77.472 35.350 -0.693 1.00 0.00 H new ATOM 0 HB2 LEU A 41 79.917 33.947 0.428 1.00 0.00 H new ATOM 0 HB3 LEU A 41 79.627 34.383 -1.245 1.00 0.00 H new ATOM 0 HG LEU A 41 79.810 36.492 0.905 1.00 0.00 H new ATOM 0 HD11 LEU A 41 82.197 36.732 0.350 1.00 0.00 H new ATOM 0 HD12 LEU A 41 81.842 35.143 1.068 1.00 0.00 H new ATOM 0 HD13 LEU A 41 82.096 35.290 -0.687 1.00 0.00 H new ATOM 0 HD21 LEU A 41 80.493 37.903 -0.996 1.00 0.00 H new ATOM 0 HD22 LEU A 41 80.324 36.507 -2.087 1.00 0.00 H new ATOM 0 HD23 LEU A 41 78.894 37.168 -1.260 1.00 0.00 H new ATOM 651 N LEU A 42 77.441 32.563 1.030 1.00 0.00 N ATOM 652 CA LEU A 42 76.931 31.197 1.050 1.00 0.00 C ATOM 653 C LEU A 42 75.419 31.177 0.851 1.00 0.00 C ATOM 654 O LEU A 42 74.920 30.654 -0.145 1.00 0.00 O ATOM 655 CB LEU A 42 77.291 30.516 2.372 1.00 0.00 C ATOM 656 CG LEU A 42 76.367 29.382 2.817 1.00 0.00 C ATOM 657 CD1 LEU A 42 76.259 28.324 1.730 1.00 0.00 C ATOM 658 CD2 LEU A 42 76.866 28.766 4.116 1.00 0.00 C ATOM 0 H LEU A 42 77.829 32.881 1.918 1.00 0.00 H new ATOM 0 HA LEU A 42 77.395 30.651 0.229 1.00 0.00 H new ATOM 0 HB2 LEU A 42 78.304 30.121 2.290 1.00 0.00 H new ATOM 0 HB3 LEU A 42 77.306 31.274 3.155 1.00 0.00 H new ATOM 0 HG LEU A 42 75.374 29.796 2.993 1.00 0.00 H new ATOM 0 HD11 LEU A 42 75.597 27.525 2.064 1.00 0.00 H new ATOM 0 HD12 LEU A 42 75.855 28.774 0.823 1.00 0.00 H new ATOM 0 HD13 LEU A 42 77.247 27.914 1.522 1.00 0.00 H new ATOM 0 HD21 LEU A 42 76.196 27.961 4.418 1.00 0.00 H new ATOM 0 HD22 LEU A 42 77.869 28.367 3.968 1.00 0.00 H new ATOM 0 HD23 LEU A 42 76.890 29.529 4.895 1.00 0.00 H new ATOM 670 N VAL A 43 74.694 31.753 1.805 1.00 0.00 N ATOM 671 CA VAL A 43 73.238 31.805 1.733 1.00 0.00 C ATOM 672 C VAL A 43 72.775 32.416 0.416 1.00 0.00 C ATOM 673 O VAL A 43 71.816 31.944 -0.195 1.00 0.00 O ATOM 674 CB VAL A 43 72.647 32.619 2.900 1.00 0.00 C ATOM 675 CG1 VAL A 43 73.105 34.067 2.827 1.00 0.00 C ATOM 676 CG2 VAL A 43 71.129 32.530 2.896 1.00 0.00 C ATOM 0 H VAL A 43 75.091 32.190 2.637 1.00 0.00 H new ATOM 0 HA VAL A 43 72.881 30.777 1.799 1.00 0.00 H new ATOM 0 HB VAL A 43 73.010 32.195 3.836 1.00 0.00 H new ATOM 0 HG11 VAL A 43 72.678 34.626 3.659 1.00 0.00 H new ATOM 0 HG12 VAL A 43 74.193 34.108 2.883 1.00 0.00 H new ATOM 0 HG13 VAL A 43 72.773 34.506 1.886 1.00 0.00 H new ATOM 0 HG21 VAL A 43 70.728 33.111 3.727 1.00 0.00 H new ATOM 0 HG22 VAL A 43 70.744 32.927 1.957 1.00 0.00 H new ATOM 0 HG23 VAL A 43 70.825 31.488 3.001 1.00 0.00 H new ATOM 686 N GLU A 44 73.462 33.469 -0.017 1.00 0.00 N ATOM 687 CA GLU A 44 73.120 34.145 -1.263 1.00 0.00 C ATOM 688 C GLU A 44 73.371 33.235 -2.462 1.00 0.00 C ATOM 689 O GLU A 44 72.658 33.300 -3.463 1.00 0.00 O ATOM 690 CB GLU A 44 73.930 35.434 -1.408 1.00 0.00 C ATOM 691 CG GLU A 44 73.555 36.254 -2.632 1.00 0.00 C ATOM 692 CD GLU A 44 74.530 37.384 -2.898 1.00 0.00 C ATOM 693 OE1 GLU A 44 75.747 37.175 -2.707 1.00 0.00 O ATOM 694 OE2 GLU A 44 74.077 38.478 -3.296 1.00 0.00 O ATOM 0 H GLU A 44 74.258 33.872 0.477 1.00 0.00 H new ATOM 0 HA GLU A 44 72.059 34.393 -1.233 1.00 0.00 H new ATOM 0 HB2 GLU A 44 73.790 36.044 -0.516 1.00 0.00 H new ATOM 0 HB3 GLU A 44 74.990 35.184 -1.459 1.00 0.00 H new ATOM 0 HG2 GLU A 44 73.515 35.601 -3.504 1.00 0.00 H new ATOM 0 HG3 GLU A 44 72.555 36.666 -2.496 1.00 0.00 H new ATOM 701 N ALA A 45 74.389 32.388 -2.352 1.00 0.00 N ATOM 702 CA ALA A 45 74.733 31.464 -3.425 1.00 0.00 C ATOM 703 C ALA A 45 73.628 30.436 -3.641 1.00 0.00 C ATOM 704 O ALA A 45 73.191 30.207 -4.769 1.00 0.00 O ATOM 705 CB ALA A 45 76.051 30.768 -3.119 1.00 0.00 C ATOM 0 H ALA A 45 74.990 32.323 -1.530 1.00 0.00 H new ATOM 0 HA ALA A 45 74.842 32.039 -4.345 1.00 0.00 H new ATOM 0 HB1 ALA A 45 76.296 30.081 -3.929 1.00 0.00 H new ATOM 0 HB2 ALA A 45 76.842 31.512 -3.023 1.00 0.00 H new ATOM 0 HB3 ALA A 45 75.961 30.212 -2.186 1.00 0.00 H new ATOM 711 N VAL A 46 73.179 29.820 -2.552 1.00 0.00 N ATOM 712 CA VAL A 46 72.123 28.816 -2.623 1.00 0.00 C ATOM 713 C VAL A 46 70.760 29.466 -2.829 1.00 0.00 C ATOM 714 O VAL A 46 69.881 28.896 -3.475 1.00 0.00 O ATOM 715 CB VAL A 46 72.081 27.955 -1.346 1.00 0.00 C ATOM 716 CG1 VAL A 46 72.045 28.838 -0.108 1.00 0.00 C ATOM 717 CG2 VAL A 46 70.885 27.016 -1.377 1.00 0.00 C ATOM 0 H VAL A 46 73.529 29.998 -1.611 1.00 0.00 H new ATOM 0 HA VAL A 46 72.350 28.177 -3.476 1.00 0.00 H new ATOM 0 HB VAL A 46 72.987 27.351 -1.305 1.00 0.00 H new ATOM 0 HG11 VAL A 46 72.016 28.213 0.784 1.00 0.00 H new ATOM 0 HG12 VAL A 46 72.936 29.465 -0.082 1.00 0.00 H new ATOM 0 HG13 VAL A 46 71.157 29.470 -0.138 1.00 0.00 H new ATOM 0 HG21 VAL A 46 70.870 26.415 -0.468 1.00 0.00 H new ATOM 0 HG22 VAL A 46 69.966 27.599 -1.441 1.00 0.00 H new ATOM 0 HG23 VAL A 46 70.960 26.360 -2.244 1.00 0.00 H new ATOM 727 N GLU A 47 70.591 30.664 -2.277 1.00 0.00 N ATOM 728 CA GLU A 47 69.334 31.391 -2.401 1.00 0.00 C ATOM 729 C GLU A 47 69.141 31.906 -3.824 1.00 0.00 C ATOM 730 O GLU A 47 68.065 31.766 -4.406 1.00 0.00 O ATOM 731 CB GLU A 47 69.296 32.561 -1.415 1.00 0.00 C ATOM 732 CG GLU A 47 68.125 33.503 -1.633 1.00 0.00 C ATOM 733 CD GLU A 47 68.139 34.683 -0.679 1.00 0.00 C ATOM 734 OE1 GLU A 47 68.909 34.642 0.303 1.00 0.00 O ATOM 735 OE2 GLU A 47 67.381 35.646 -0.917 1.00 0.00 O ATOM 0 H GLU A 47 71.309 31.151 -1.740 1.00 0.00 H new ATOM 0 HA GLU A 47 68.522 30.702 -2.169 1.00 0.00 H new ATOM 0 HB2 GLU A 47 69.251 32.168 -0.399 1.00 0.00 H new ATOM 0 HB3 GLU A 47 70.225 33.125 -1.497 1.00 0.00 H new ATOM 0 HG2 GLU A 47 68.145 33.870 -2.659 1.00 0.00 H new ATOM 0 HG3 GLU A 47 67.193 32.952 -1.510 1.00 0.00 H new ATOM 742 N HIS A 48 70.191 32.502 -4.379 1.00 0.00 N ATOM 743 CA HIS A 48 70.138 33.038 -5.735 1.00 0.00 C ATOM 744 C HIS A 48 69.615 31.991 -6.713 1.00 0.00 C ATOM 745 O HIS A 48 69.004 32.326 -7.729 1.00 0.00 O ATOM 746 CB HIS A 48 71.524 33.515 -6.172 1.00 0.00 C ATOM 747 CG HIS A 48 71.524 34.230 -7.488 1.00 0.00 C ATOM 748 ND1 HIS A 48 71.380 35.596 -7.602 1.00 0.00 N ATOM 749 CD2 HIS A 48 71.653 33.760 -8.751 1.00 0.00 C ATOM 750 CE1 HIS A 48 71.419 35.936 -8.878 1.00 0.00 C ATOM 751 NE2 HIS A 48 71.584 34.840 -9.596 1.00 0.00 N ATOM 0 H HIS A 48 71.089 32.626 -3.911 1.00 0.00 H new ATOM 0 HA HIS A 48 69.453 33.886 -5.738 1.00 0.00 H new ATOM 0 HB2 HIS A 48 71.929 34.178 -5.408 1.00 0.00 H new ATOM 0 HB3 HIS A 48 72.192 32.656 -6.235 1.00 0.00 H new ATOM 0 HD2 HIS A 48 71.785 32.728 -9.040 1.00 0.00 H new ATOM 0 HE1 HIS A 48 71.331 36.939 -9.268 1.00 0.00 H new ATOM 0 HE2 HIS A 48 71.650 34.802 -10.613 1.00 0.00 H new ATOM 759 N LEU A 49 69.860 30.723 -6.401 1.00 0.00 N ATOM 760 CA LEU A 49 69.414 29.626 -7.253 1.00 0.00 C ATOM 761 C LEU A 49 68.193 28.934 -6.656 1.00 0.00 C ATOM 762 O LEU A 49 67.497 28.184 -7.338 1.00 0.00 O ATOM 763 CB LEU A 49 70.544 28.614 -7.448 1.00 0.00 C ATOM 764 CG LEU A 49 71.926 29.199 -7.741 1.00 0.00 C ATOM 765 CD1 LEU A 49 73.017 28.220 -7.334 1.00 0.00 C ATOM 766 CD2 LEU A 49 72.052 29.558 -9.214 1.00 0.00 C ATOM 0 H LEU A 49 70.365 30.429 -5.565 1.00 0.00 H new ATOM 0 HA LEU A 49 69.135 30.041 -8.222 1.00 0.00 H new ATOM 0 HB2 LEU A 49 70.614 28.001 -6.550 1.00 0.00 H new ATOM 0 HB3 LEU A 49 70.272 27.949 -8.268 1.00 0.00 H new ATOM 0 HG LEU A 49 72.046 30.110 -7.154 1.00 0.00 H new ATOM 0 HD11 LEU A 49 73.994 28.653 -7.550 1.00 0.00 H new ATOM 0 HD12 LEU A 49 72.940 28.012 -6.267 1.00 0.00 H new ATOM 0 HD13 LEU A 49 72.900 27.292 -7.893 1.00 0.00 H new ATOM 0 HD21 LEU A 49 73.042 29.973 -9.404 1.00 0.00 H new ATOM 0 HD22 LEU A 49 71.911 28.663 -9.820 1.00 0.00 H new ATOM 0 HD23 LEU A 49 71.293 30.296 -9.475 1.00 0.00 H new ATOM 778 N GLY A 50 67.939 29.193 -5.377 1.00 0.00 N ATOM 779 CA GLY A 50 66.801 28.589 -4.710 1.00 0.00 C ATOM 780 C GLY A 50 67.110 27.206 -4.173 1.00 0.00 C ATOM 781 O GLY A 50 67.746 27.064 -3.127 1.00 0.00 O ATOM 0 H GLY A 50 68.501 29.810 -4.791 1.00 0.00 H new ATOM 0 HA2 GLY A 50 66.482 29.231 -3.889 1.00 0.00 H new ATOM 0 HA3 GLY A 50 65.966 28.526 -5.408 1.00 0.00 H new ATOM 785 N THR A 51 66.659 26.180 -4.888 1.00 0.00 N ATOM 786 CA THR A 51 66.889 24.801 -4.477 1.00 0.00 C ATOM 787 C THR A 51 67.216 23.917 -5.674 1.00 0.00 C ATOM 788 O THR A 51 66.327 23.320 -6.279 1.00 0.00 O ATOM 789 CB THR A 51 65.663 24.221 -3.745 1.00 0.00 C ATOM 790 OG1 THR A 51 65.808 22.805 -3.593 1.00 0.00 O ATOM 791 CG2 THR A 51 64.383 24.527 -4.508 1.00 0.00 C ATOM 0 H THR A 51 66.132 26.279 -5.756 1.00 0.00 H new ATOM 0 HA THR A 51 67.739 24.813 -3.795 1.00 0.00 H new ATOM 0 HB THR A 51 65.600 24.686 -2.761 1.00 0.00 H new ATOM 0 HG1 THR A 51 65.026 22.444 -3.126 1.00 0.00 H new ATOM 0 HG21 THR A 51 63.531 24.108 -3.972 1.00 0.00 H new ATOM 0 HG22 THR A 51 64.261 25.607 -4.596 1.00 0.00 H new ATOM 0 HG23 THR A 51 64.438 24.086 -5.503 1.00 0.00 H new ATOM 799 N GLY A 52 68.500 23.837 -6.012 1.00 0.00 N ATOM 800 CA GLY A 52 68.922 23.022 -7.137 1.00 0.00 C ATOM 801 C GLY A 52 70.181 22.233 -6.840 1.00 0.00 C ATOM 802 O GLY A 52 70.242 21.494 -5.858 1.00 0.00 O ATOM 0 H GLY A 52 69.255 24.322 -5.527 1.00 0.00 H new ATOM 0 HA2 GLY A 52 68.120 22.334 -7.404 1.00 0.00 H new ATOM 0 HA3 GLY A 52 69.094 23.663 -8.002 1.00 0.00 H new ATOM 806 N ARG A 53 71.189 22.388 -7.693 1.00 0.00 N ATOM 807 CA ARG A 53 72.453 21.682 -7.519 1.00 0.00 C ATOM 808 C ARG A 53 73.391 22.464 -6.605 1.00 0.00 C ATOM 809 O ARG A 53 73.416 23.694 -6.631 1.00 0.00 O ATOM 810 CB ARG A 53 73.121 21.447 -8.874 1.00 0.00 C ATOM 811 CG ARG A 53 72.362 20.481 -9.769 1.00 0.00 C ATOM 812 CD ARG A 53 72.835 19.050 -9.570 1.00 0.00 C ATOM 813 NE ARG A 53 72.411 18.177 -10.662 1.00 0.00 N ATOM 814 CZ ARG A 53 73.038 18.104 -11.831 1.00 0.00 C ATOM 815 NH1 ARG A 53 74.111 18.849 -12.058 1.00 0.00 N ATOM 816 NH2 ARG A 53 72.591 17.286 -12.775 1.00 0.00 N ATOM 0 H ARG A 53 71.155 22.996 -8.511 1.00 0.00 H new ATOM 0 HA ARG A 53 72.242 20.719 -7.055 1.00 0.00 H new ATOM 0 HB2 ARG A 53 73.223 22.402 -9.389 1.00 0.00 H new ATOM 0 HB3 ARG A 53 74.128 21.063 -8.711 1.00 0.00 H new ATOM 0 HG2 ARG A 53 71.295 20.546 -9.555 1.00 0.00 H new ATOM 0 HG3 ARG A 53 72.496 20.768 -10.812 1.00 0.00 H new ATOM 0 HD2 ARG A 53 73.922 19.035 -9.495 1.00 0.00 H new ATOM 0 HD3 ARG A 53 72.445 18.667 -8.627 1.00 0.00 H new ATOM 0 HE ARG A 53 71.588 17.591 -10.519 1.00 0.00 H new ATOM 0 HH11 ARG A 53 74.456 19.480 -11.334 1.00 0.00 H new ATOM 0 HH12 ARG A 53 74.591 18.792 -12.956 1.00 0.00 H new ATOM 0 HH21 ARG A 53 71.765 16.712 -12.604 1.00 0.00 H new ATOM 0 HH22 ARG A 53 73.073 17.231 -13.672 1.00 0.00 H new ATOM 830 N TRP A 54 74.160 21.742 -5.798 1.00 0.00 N ATOM 831 CA TRP A 54 75.101 22.368 -4.876 1.00 0.00 C ATOM 832 C TRP A 54 76.222 23.070 -5.634 1.00 0.00 C ATOM 833 O TRP A 54 76.594 24.197 -5.307 1.00 0.00 O ATOM 834 CB TRP A 54 75.687 21.323 -3.925 1.00 0.00 C ATOM 835 CG TRP A 54 74.655 20.410 -3.336 1.00 0.00 C ATOM 836 CD1 TRP A 54 73.365 20.728 -3.020 1.00 0.00 C ATOM 837 CD2 TRP A 54 74.827 19.032 -2.990 1.00 0.00 C ATOM 838 NE1 TRP A 54 72.724 19.629 -2.499 1.00 0.00 N ATOM 839 CE2 TRP A 54 73.600 18.576 -2.471 1.00 0.00 C ATOM 840 CE3 TRP A 54 75.898 18.138 -3.070 1.00 0.00 C ATOM 841 CZ2 TRP A 54 73.417 17.267 -2.034 1.00 0.00 C ATOM 842 CZ3 TRP A 54 75.715 16.839 -2.635 1.00 0.00 C ATOM 843 CH2 TRP A 54 74.482 16.413 -2.123 1.00 0.00 C ATOM 0 H TRP A 54 74.151 20.723 -5.763 1.00 0.00 H new ATOM 0 HA TRP A 54 74.559 23.114 -4.295 1.00 0.00 H new ATOM 0 HB2 TRP A 54 76.425 20.727 -4.462 1.00 0.00 H new ATOM 0 HB3 TRP A 54 76.214 21.832 -3.118 1.00 0.00 H new ATOM 0 HD1 TRP A 54 72.915 21.700 -3.159 1.00 0.00 H new ATOM 0 HE1 TRP A 54 71.754 19.602 -2.184 1.00 0.00 H new ATOM 0 HE3 TRP A 54 76.852 18.456 -3.465 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 72.468 16.937 -1.639 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 76.536 16.140 -2.691 1.00 0.00 H new ATOM 0 HH2 TRP A 54 74.370 15.391 -1.792 1.00 0.00 H new ATOM 854 N ARG A 55 76.756 22.397 -6.648 1.00 0.00 N ATOM 855 CA ARG A 55 77.836 22.956 -7.452 1.00 0.00 C ATOM 856 C ARG A 55 77.446 24.321 -8.012 1.00 0.00 C ATOM 857 O ARG A 55 78.304 25.165 -8.273 1.00 0.00 O ATOM 858 CB ARG A 55 78.193 22.007 -8.597 1.00 0.00 C ATOM 859 CG ARG A 55 77.159 21.979 -9.710 1.00 0.00 C ATOM 860 CD ARG A 55 77.470 20.898 -10.733 1.00 0.00 C ATOM 861 NE ARG A 55 77.015 21.263 -12.072 1.00 0.00 N ATOM 862 CZ ARG A 55 77.624 22.165 -12.834 1.00 0.00 C ATOM 863 NH1 ARG A 55 78.708 22.788 -12.393 1.00 0.00 N ATOM 864 NH2 ARG A 55 77.150 22.443 -14.042 1.00 0.00 N ATOM 0 H ARG A 55 76.458 21.464 -6.932 1.00 0.00 H new ATOM 0 HA ARG A 55 78.707 23.081 -6.808 1.00 0.00 H new ATOM 0 HB2 ARG A 55 79.156 22.301 -9.015 1.00 0.00 H new ATOM 0 HB3 ARG A 55 78.313 21.000 -8.199 1.00 0.00 H new ATOM 0 HG2 ARG A 55 76.170 21.806 -9.285 1.00 0.00 H new ATOM 0 HG3 ARG A 55 77.128 22.950 -10.204 1.00 0.00 H new ATOM 0 HD2 ARG A 55 78.545 20.716 -10.753 1.00 0.00 H new ATOM 0 HD3 ARG A 55 76.994 19.965 -10.430 1.00 0.00 H new ATOM 0 HE ARG A 55 76.185 20.800 -12.442 1.00 0.00 H new ATOM 0 HH11 ARG A 55 79.077 22.575 -11.466 1.00 0.00 H new ATOM 0 HH12 ARG A 55 79.173 23.480 -12.981 1.00 0.00 H new ATOM 0 HH21 ARG A 55 76.318 21.964 -14.386 1.00 0.00 H new ATOM 0 HH22 ARG A 55 77.618 23.136 -14.627 1.00 0.00 H new ATOM 878 N ASP A 56 76.147 24.530 -8.194 1.00 0.00 N ATOM 879 CA ASP A 56 75.642 25.792 -8.723 1.00 0.00 C ATOM 880 C ASP A 56 75.866 26.927 -7.728 1.00 0.00 C ATOM 881 O ASP A 56 76.253 28.032 -8.107 1.00 0.00 O ATOM 882 CB ASP A 56 74.153 25.673 -9.053 1.00 0.00 C ATOM 883 CG ASP A 56 73.708 26.684 -10.091 1.00 0.00 C ATOM 884 OD1 ASP A 56 74.425 27.687 -10.289 1.00 0.00 O ATOM 885 OD2 ASP A 56 72.642 26.472 -10.705 1.00 0.00 O ATOM 0 H ASP A 56 75.424 23.842 -7.983 1.00 0.00 H new ATOM 0 HA ASP A 56 76.191 26.020 -9.637 1.00 0.00 H new ATOM 0 HB2 ASP A 56 73.944 24.667 -9.417 1.00 0.00 H new ATOM 0 HB3 ASP A 56 73.570 25.811 -8.142 1.00 0.00 H new ATOM 890 N VAL A 57 75.620 26.646 -6.452 1.00 0.00 N ATOM 891 CA VAL A 57 75.794 27.642 -5.402 1.00 0.00 C ATOM 892 C VAL A 57 77.272 27.891 -5.122 1.00 0.00 C ATOM 893 O VAL A 57 77.658 28.975 -4.682 1.00 0.00 O ATOM 894 CB VAL A 57 75.101 27.209 -4.097 1.00 0.00 C ATOM 895 CG1 VAL A 57 73.887 26.344 -4.398 1.00 0.00 C ATOM 896 CG2 VAL A 57 76.079 26.473 -3.193 1.00 0.00 C ATOM 0 H VAL A 57 75.299 25.736 -6.121 1.00 0.00 H new ATOM 0 HA VAL A 57 75.334 28.563 -5.759 1.00 0.00 H new ATOM 0 HB VAL A 57 74.760 28.102 -3.574 1.00 0.00 H new ATOM 0 HG11 VAL A 57 73.411 26.048 -3.463 1.00 0.00 H new ATOM 0 HG12 VAL A 57 73.178 26.909 -5.003 1.00 0.00 H new ATOM 0 HG13 VAL A 57 74.201 25.454 -4.943 1.00 0.00 H new ATOM 0 HG21 VAL A 57 75.572 26.174 -2.275 1.00 0.00 H new ATOM 0 HG22 VAL A 57 76.452 25.587 -3.706 1.00 0.00 H new ATOM 0 HG23 VAL A 57 76.914 27.130 -2.949 1.00 0.00 H new ATOM 906 N LYS A 58 78.096 26.881 -5.379 1.00 0.00 N ATOM 907 CA LYS A 58 79.533 26.989 -5.156 1.00 0.00 C ATOM 908 C LYS A 58 80.175 27.915 -6.185 1.00 0.00 C ATOM 909 O LYS A 58 80.971 28.787 -5.838 1.00 0.00 O ATOM 910 CB LYS A 58 80.186 25.607 -5.221 1.00 0.00 C ATOM 911 CG LYS A 58 81.702 25.646 -5.141 1.00 0.00 C ATOM 912 CD LYS A 58 82.333 25.663 -6.523 1.00 0.00 C ATOM 913 CE LYS A 58 83.698 24.991 -6.521 1.00 0.00 C ATOM 914 NZ LYS A 58 84.130 24.609 -7.894 1.00 0.00 N ATOM 0 H LYS A 58 77.793 25.977 -5.742 1.00 0.00 H new ATOM 0 HA LYS A 58 79.690 27.412 -4.164 1.00 0.00 H new ATOM 0 HB2 LYS A 58 79.803 24.995 -4.404 1.00 0.00 H new ATOM 0 HB3 LYS A 58 79.892 25.119 -6.150 1.00 0.00 H new ATOM 0 HG2 LYS A 58 82.015 26.530 -4.586 1.00 0.00 H new ATOM 0 HG3 LYS A 58 82.060 24.778 -4.587 1.00 0.00 H new ATOM 0 HD2 LYS A 58 81.677 25.155 -7.230 1.00 0.00 H new ATOM 0 HD3 LYS A 58 82.434 26.693 -6.865 1.00 0.00 H new ATOM 0 HE2 LYS A 58 84.434 25.665 -6.083 1.00 0.00 H new ATOM 0 HE3 LYS A 58 83.665 24.103 -5.890 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 85.064 24.154 -7.850 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 83.441 23.946 -8.303 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 84.187 25.460 -8.489 1.00 0.00 H new ATOM 928 N PHE A 59 79.821 27.721 -7.451 1.00 0.00 N ATOM 929 CA PHE A 59 80.362 28.539 -8.530 1.00 0.00 C ATOM 930 C PHE A 59 79.756 29.939 -8.507 1.00 0.00 C ATOM 931 O PHE A 59 80.430 30.924 -8.810 1.00 0.00 O ATOM 932 CB PHE A 59 80.095 27.877 -9.884 1.00 0.00 C ATOM 933 CG PHE A 59 80.495 28.727 -11.056 1.00 0.00 C ATOM 934 CD1 PHE A 59 81.800 28.716 -11.523 1.00 0.00 C ATOM 935 CD2 PHE A 59 79.567 29.536 -11.690 1.00 0.00 C ATOM 936 CE1 PHE A 59 82.171 29.497 -12.601 1.00 0.00 C ATOM 937 CE2 PHE A 59 79.932 30.320 -12.769 1.00 0.00 C ATOM 938 CZ PHE A 59 81.236 30.299 -13.225 1.00 0.00 C ATOM 0 H PHE A 59 79.162 27.004 -7.755 1.00 0.00 H new ATOM 0 HA PHE A 59 81.438 28.626 -8.382 1.00 0.00 H new ATOM 0 HB2 PHE A 59 80.635 26.931 -9.930 1.00 0.00 H new ATOM 0 HB3 PHE A 59 79.034 27.642 -9.961 1.00 0.00 H new ATOM 0 HD1 PHE A 59 82.535 28.090 -11.039 1.00 0.00 H new ATOM 0 HD2 PHE A 59 78.546 29.555 -11.338 1.00 0.00 H new ATOM 0 HE1 PHE A 59 83.191 29.480 -12.955 1.00 0.00 H new ATOM 0 HE2 PHE A 59 79.199 30.948 -13.254 1.00 0.00 H new ATOM 0 HZ PHE A 59 81.524 30.909 -14.068 1.00 0.00 H new ATOM 948 N ARG A 60 78.480 30.019 -8.146 1.00 0.00 N ATOM 949 CA ARG A 60 77.782 31.297 -8.086 1.00 0.00 C ATOM 950 C ARG A 60 78.286 32.137 -6.917 1.00 0.00 C ATOM 951 O ARG A 60 78.298 33.366 -6.982 1.00 0.00 O ATOM 952 CB ARG A 60 76.274 31.073 -7.954 1.00 0.00 C ATOM 953 CG ARG A 60 75.467 32.361 -7.931 1.00 0.00 C ATOM 954 CD ARG A 60 75.302 32.939 -9.328 1.00 0.00 C ATOM 955 NE ARG A 60 76.357 33.895 -9.653 1.00 0.00 N ATOM 956 CZ ARG A 60 76.374 34.621 -10.764 1.00 0.00 C ATOM 957 NH1 ARG A 60 75.397 34.503 -11.653 1.00 0.00 N ATOM 958 NH2 ARG A 60 77.370 35.469 -10.989 1.00 0.00 N ATOM 0 H ARG A 60 77.908 29.214 -7.891 1.00 0.00 H new ATOM 0 HA ARG A 60 77.983 31.836 -9.012 1.00 0.00 H new ATOM 0 HB2 ARG A 60 75.933 30.455 -8.785 1.00 0.00 H new ATOM 0 HB3 ARG A 60 76.077 30.514 -7.039 1.00 0.00 H new ATOM 0 HG2 ARG A 60 74.486 32.169 -7.497 1.00 0.00 H new ATOM 0 HG3 ARG A 60 75.962 33.091 -7.290 1.00 0.00 H new ATOM 0 HD2 ARG A 60 75.309 32.130 -10.058 1.00 0.00 H new ATOM 0 HD3 ARG A 60 74.332 33.430 -9.405 1.00 0.00 H new ATOM 0 HE ARG A 60 77.123 34.011 -8.990 1.00 0.00 H new ATOM 0 HH11 ARG A 60 74.629 33.853 -11.484 1.00 0.00 H new ATOM 0 HH12 ARG A 60 75.413 35.062 -12.506 1.00 0.00 H new ATOM 0 HH21 ARG A 60 78.123 35.563 -10.308 1.00 0.00 H new ATOM 0 HH22 ARG A 60 77.382 36.026 -11.843 1.00 0.00 H new ATOM 972 N ALA A 61 78.702 31.466 -5.848 1.00 0.00 N ATOM 973 CA ALA A 61 79.209 32.150 -4.665 1.00 0.00 C ATOM 974 C ALA A 61 80.503 32.896 -4.974 1.00 0.00 C ATOM 975 O ALA A 61 80.537 34.126 -4.972 1.00 0.00 O ATOM 976 CB ALA A 61 79.427 31.157 -3.533 1.00 0.00 C ATOM 0 H ALA A 61 78.698 30.448 -5.777 1.00 0.00 H new ATOM 0 HA ALA A 61 78.464 32.882 -4.352 1.00 0.00 H new ATOM 0 HB1 ALA A 61 79.806 31.682 -2.656 1.00 0.00 H new ATOM 0 HB2 ALA A 61 78.482 30.673 -3.286 1.00 0.00 H new ATOM 0 HB3 ALA A 61 80.150 30.403 -3.845 1.00 0.00 H new ATOM 982 N PHE A 62 81.565 32.143 -5.240 1.00 0.00 N ATOM 983 CA PHE A 62 82.862 32.733 -5.550 1.00 0.00 C ATOM 984 C PHE A 62 83.857 31.661 -5.986 1.00 0.00 C ATOM 985 O PHE A 62 84.457 30.982 -5.154 1.00 0.00 O ATOM 986 CB PHE A 62 83.407 33.486 -4.334 1.00 0.00 C ATOM 987 CG PHE A 62 83.254 34.977 -4.435 1.00 0.00 C ATOM 988 CD1 PHE A 62 83.761 35.666 -5.525 1.00 0.00 C ATOM 989 CD2 PHE A 62 82.603 35.689 -3.440 1.00 0.00 C ATOM 990 CE1 PHE A 62 83.622 37.038 -5.619 1.00 0.00 C ATOM 991 CE2 PHE A 62 82.461 37.061 -3.530 1.00 0.00 C ATOM 992 CZ PHE A 62 82.971 37.736 -4.621 1.00 0.00 C ATOM 0 H PHE A 62 81.553 31.123 -5.247 1.00 0.00 H new ATOM 0 HA PHE A 62 82.727 33.435 -6.373 1.00 0.00 H new ATOM 0 HB2 PHE A 62 82.893 33.136 -3.439 1.00 0.00 H new ATOM 0 HB3 PHE A 62 84.463 33.245 -4.210 1.00 0.00 H new ATOM 0 HD1 PHE A 62 84.270 35.125 -6.309 1.00 0.00 H new ATOM 0 HD2 PHE A 62 82.202 35.166 -2.584 1.00 0.00 H new ATOM 0 HE1 PHE A 62 84.023 37.564 -6.473 1.00 0.00 H new ATOM 0 HE2 PHE A 62 81.952 37.604 -2.748 1.00 0.00 H new ATOM 0 HZ PHE A 62 82.861 38.808 -4.694 1.00 0.00 H new ATOM 1002 N GLU A 63 84.025 31.516 -7.297 1.00 0.00 N ATOM 1003 CA GLU A 63 84.946 30.526 -7.843 1.00 0.00 C ATOM 1004 C GLU A 63 86.382 30.832 -7.428 1.00 0.00 C ATOM 1005 O GLU A 63 87.261 29.977 -7.522 1.00 0.00 O ATOM 1006 CB GLU A 63 84.841 30.488 -9.369 1.00 0.00 C ATOM 1007 CG GLU A 63 85.857 29.568 -10.026 1.00 0.00 C ATOM 1008 CD GLU A 63 85.696 29.502 -11.532 1.00 0.00 C ATOM 1009 OE1 GLU A 63 85.456 30.561 -12.150 1.00 0.00 O ATOM 1010 OE2 GLU A 63 85.809 28.392 -12.093 1.00 0.00 O ATOM 0 H GLU A 63 83.536 32.071 -8.000 1.00 0.00 H new ATOM 0 HA GLU A 63 84.671 29.550 -7.442 1.00 0.00 H new ATOM 0 HB2 GLU A 63 83.838 30.166 -9.648 1.00 0.00 H new ATOM 0 HB3 GLU A 63 84.972 31.497 -9.759 1.00 0.00 H new ATOM 0 HG2 GLU A 63 86.863 29.914 -9.787 1.00 0.00 H new ATOM 0 HG3 GLU A 63 85.757 28.566 -9.609 1.00 0.00 H new ATOM 1081 N ARG A 68 85.923 25.793 0.575 1.00 0.00 N ATOM 1082 CA ARG A 68 84.714 25.065 0.943 1.00 0.00 C ATOM 1083 C ARG A 68 84.157 24.295 -0.251 1.00 0.00 C ATOM 1084 O ARG A 68 84.341 24.694 -1.401 1.00 0.00 O ATOM 1085 CB ARG A 68 83.655 26.031 1.479 1.00 0.00 C ATOM 1086 CG ARG A 68 84.114 26.825 2.691 1.00 0.00 C ATOM 1087 CD ARG A 68 83.728 26.133 3.989 1.00 0.00 C ATOM 1088 NE ARG A 68 83.488 27.088 5.068 1.00 0.00 N ATOM 1089 CZ ARG A 68 83.176 26.731 6.309 1.00 0.00 C ATOM 1090 NH1 ARG A 68 83.067 25.448 6.626 1.00 0.00 N ATOM 1091 NH2 ARG A 68 82.972 27.658 7.236 1.00 0.00 N ATOM 0 HA ARG A 68 84.974 24.351 1.724 1.00 0.00 H new ATOM 0 HB2 ARG A 68 83.373 26.724 0.686 1.00 0.00 H new ATOM 0 HB3 ARG A 68 82.760 25.467 1.742 1.00 0.00 H new ATOM 0 HG2 ARG A 68 85.196 26.955 2.654 1.00 0.00 H new ATOM 0 HG3 ARG A 68 83.673 27.821 2.663 1.00 0.00 H new ATOM 0 HD2 ARG A 68 82.831 25.535 3.828 1.00 0.00 H new ATOM 0 HD3 ARG A 68 84.521 25.446 4.283 1.00 0.00 H new ATOM 0 HE ARG A 68 83.564 28.083 4.857 1.00 0.00 H new ATOM 0 HH11 ARG A 68 83.223 24.732 5.916 1.00 0.00 H new ATOM 0 HH12 ARG A 68 82.827 25.177 7.580 1.00 0.00 H new ATOM 0 HH21 ARG A 68 83.055 28.646 6.996 1.00 0.00 H new ATOM 0 HH22 ARG A 68 82.732 27.383 8.188 1.00 0.00 H new ATOM 1105 N THR A 69 83.477 23.189 0.030 1.00 0.00 N ATOM 1106 CA THR A 69 82.895 22.362 -1.019 1.00 0.00 C ATOM 1107 C THR A 69 81.428 22.709 -1.243 1.00 0.00 C ATOM 1108 O THR A 69 80.726 23.110 -0.314 1.00 0.00 O ATOM 1109 CB THR A 69 83.011 20.863 -0.683 1.00 0.00 C ATOM 1110 OG1 THR A 69 84.291 20.589 -0.103 1.00 0.00 O ATOM 1111 CG2 THR A 69 82.820 20.012 -1.929 1.00 0.00 C ATOM 0 H THR A 69 83.315 22.845 0.976 1.00 0.00 H new ATOM 0 HA THR A 69 83.457 22.567 -1.930 1.00 0.00 H new ATOM 0 HB THR A 69 82.227 20.612 0.032 1.00 0.00 H new ATOM 0 HG1 THR A 69 84.356 19.635 0.109 1.00 0.00 H new ATOM 0 HG21 THR A 69 82.906 18.958 -1.666 1.00 0.00 H new ATOM 0 HG22 THR A 69 81.833 20.201 -2.351 1.00 0.00 H new ATOM 0 HG23 THR A 69 83.584 20.266 -2.664 1.00 0.00 H new ATOM 1119 N TYR A 70 80.969 22.551 -2.479 1.00 0.00 N ATOM 1120 CA TYR A 70 79.584 22.849 -2.825 1.00 0.00 C ATOM 1121 C TYR A 70 78.623 22.191 -1.840 1.00 0.00 C ATOM 1122 O TYR A 70 77.654 22.806 -1.394 1.00 0.00 O ATOM 1123 CB TYR A 70 79.278 22.376 -4.247 1.00 0.00 C ATOM 1124 CG TYR A 70 79.831 21.004 -4.561 1.00 0.00 C ATOM 1125 CD1 TYR A 70 79.105 19.857 -4.267 1.00 0.00 C ATOM 1126 CD2 TYR A 70 81.081 20.856 -5.150 1.00 0.00 C ATOM 1127 CE1 TYR A 70 79.606 18.601 -4.552 1.00 0.00 C ATOM 1128 CE2 TYR A 70 81.590 19.604 -5.439 1.00 0.00 C ATOM 1129 CZ TYR A 70 80.849 18.480 -5.138 1.00 0.00 C ATOM 1130 OH TYR A 70 81.353 17.232 -5.423 1.00 0.00 O ATOM 0 H TYR A 70 81.536 22.218 -3.259 1.00 0.00 H new ATOM 0 HA TYR A 70 79.447 23.929 -2.772 1.00 0.00 H new ATOM 0 HB2 TYR A 70 78.198 22.365 -4.393 1.00 0.00 H new ATOM 0 HB3 TYR A 70 79.688 23.095 -4.956 1.00 0.00 H new ATOM 0 HD1 TYR A 70 78.132 19.948 -3.808 1.00 0.00 H new ATOM 0 HD2 TYR A 70 81.664 21.734 -5.386 1.00 0.00 H new ATOM 0 HE1 TYR A 70 79.028 17.719 -4.317 1.00 0.00 H new ATOM 0 HE2 TYR A 70 82.563 19.506 -5.898 1.00 0.00 H new ATOM 0 HH TYR A 70 82.238 17.323 -5.834 1.00 0.00 H new ATOM 1140 N VAL A 71 78.899 20.935 -1.503 1.00 0.00 N ATOM 1141 CA VAL A 71 78.061 20.192 -0.569 1.00 0.00 C ATOM 1142 C VAL A 71 78.047 20.855 0.803 1.00 0.00 C ATOM 1143 O VAL A 71 77.010 20.914 1.465 1.00 0.00 O ATOM 1144 CB VAL A 71 78.542 18.736 -0.419 1.00 0.00 C ATOM 1145 CG1 VAL A 71 80.000 18.698 0.012 1.00 0.00 C ATOM 1146 CG2 VAL A 71 77.665 17.985 0.570 1.00 0.00 C ATOM 0 H VAL A 71 79.696 20.411 -1.863 1.00 0.00 H new ATOM 0 HA VAL A 71 77.051 20.193 -0.980 1.00 0.00 H new ATOM 0 HB VAL A 71 78.461 18.243 -1.388 1.00 0.00 H new ATOM 0 HG11 VAL A 71 80.323 17.662 0.113 1.00 0.00 H new ATOM 0 HG12 VAL A 71 80.614 19.198 -0.737 1.00 0.00 H new ATOM 0 HG13 VAL A 71 80.110 19.207 0.970 1.00 0.00 H new ATOM 0 HG21 VAL A 71 78.019 16.958 0.664 1.00 0.00 H new ATOM 0 HG22 VAL A 71 77.711 18.475 1.543 1.00 0.00 H new ATOM 0 HG23 VAL A 71 76.635 17.982 0.214 1.00 0.00 H new ATOM 1156 N ASP A 72 79.203 21.353 1.226 1.00 0.00 N ATOM 1157 CA ASP A 72 79.324 22.014 2.520 1.00 0.00 C ATOM 1158 C ASP A 72 78.480 23.284 2.562 1.00 0.00 C ATOM 1159 O ASP A 72 77.914 23.632 3.600 1.00 0.00 O ATOM 1160 CB ASP A 72 80.788 22.350 2.811 1.00 0.00 C ATOM 1161 CG ASP A 72 80.982 22.947 4.191 1.00 0.00 C ATOM 1162 OD1 ASP A 72 80.781 24.170 4.341 1.00 0.00 O ATOM 1163 OD2 ASP A 72 81.335 22.191 5.120 1.00 0.00 O ATOM 0 H ASP A 72 80.071 21.312 0.691 1.00 0.00 H new ATOM 0 HA ASP A 72 78.958 21.330 3.285 1.00 0.00 H new ATOM 0 HB2 ASP A 72 81.390 21.446 2.722 1.00 0.00 H new ATOM 0 HB3 ASP A 72 81.153 23.051 2.060 1.00 0.00 H new ATOM 1168 N LEU A 73 78.401 23.974 1.430 1.00 0.00 N ATOM 1169 CA LEU A 73 77.627 25.207 1.337 1.00 0.00 C ATOM 1170 C LEU A 73 76.140 24.933 1.538 1.00 0.00 C ATOM 1171 O LEU A 73 75.503 25.517 2.415 1.00 0.00 O ATOM 1172 CB LEU A 73 77.856 25.875 -0.020 1.00 0.00 C ATOM 1173 CG LEU A 73 79.286 26.331 -0.311 1.00 0.00 C ATOM 1174 CD1 LEU A 73 79.329 27.183 -1.570 1.00 0.00 C ATOM 1175 CD2 LEU A 73 79.852 27.100 0.874 1.00 0.00 C ATOM 0 H LEU A 73 78.864 23.701 0.563 1.00 0.00 H new ATOM 0 HA LEU A 73 77.963 25.879 2.127 1.00 0.00 H new ATOM 0 HB2 LEU A 73 77.552 25.178 -0.801 1.00 0.00 H new ATOM 0 HB3 LEU A 73 77.198 26.741 -0.092 1.00 0.00 H new ATOM 0 HG LEU A 73 79.903 25.447 -0.474 1.00 0.00 H new ATOM 0 HD11 LEU A 73 80.355 27.498 -1.761 1.00 0.00 H new ATOM 0 HD12 LEU A 73 78.965 26.600 -2.416 1.00 0.00 H new ATOM 0 HD13 LEU A 73 78.698 28.062 -1.436 1.00 0.00 H new ATOM 0 HD21 LEU A 73 80.870 27.417 0.649 1.00 0.00 H new ATOM 0 HD22 LEU A 73 79.234 27.977 1.068 1.00 0.00 H new ATOM 0 HD23 LEU A 73 79.858 26.458 1.755 1.00 0.00 H new ATOM 1187 N LYS A 74 75.593 24.039 0.721 1.00 0.00 N ATOM 1188 CA LYS A 74 74.182 23.684 0.810 1.00 0.00 C ATOM 1189 C LYS A 74 73.842 23.150 2.197 1.00 0.00 C ATOM 1190 O LYS A 74 72.797 23.479 2.760 1.00 0.00 O ATOM 1191 CB LYS A 74 73.831 22.638 -0.251 1.00 0.00 C ATOM 1192 CG LYS A 74 72.337 22.484 -0.483 1.00 0.00 C ATOM 1193 CD LYS A 74 71.830 21.143 0.020 1.00 0.00 C ATOM 1194 CE LYS A 74 71.322 21.241 1.451 1.00 0.00 C ATOM 1195 NZ LYS A 74 70.472 20.075 1.818 1.00 0.00 N ATOM 0 H LYS A 74 76.106 23.547 -0.011 1.00 0.00 H new ATOM 0 HA LYS A 74 73.594 24.585 0.633 1.00 0.00 H new ATOM 0 HB2 LYS A 74 74.310 22.912 -1.191 1.00 0.00 H new ATOM 0 HB3 LYS A 74 74.245 21.675 0.049 1.00 0.00 H new ATOM 0 HG2 LYS A 74 71.804 23.289 0.024 1.00 0.00 H new ATOM 0 HG3 LYS A 74 72.121 22.580 -1.547 1.00 0.00 H new ATOM 0 HD2 LYS A 74 71.028 20.789 -0.628 1.00 0.00 H new ATOM 0 HD3 LYS A 74 72.632 20.406 -0.033 1.00 0.00 H new ATOM 0 HE2 LYS A 74 72.169 21.302 2.134 1.00 0.00 H new ATOM 0 HE3 LYS A 74 70.749 22.160 1.571 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 70.145 20.179 2.800 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 69.650 20.031 1.183 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 71.026 19.200 1.728 1.00 0.00 H new ATOM 1209 N ASP A 75 74.730 22.326 2.744 1.00 0.00 N ATOM 1210 CA ASP A 75 74.524 21.749 4.067 1.00 0.00 C ATOM 1211 C ASP A 75 74.616 22.821 5.148 1.00 0.00 C ATOM 1212 O ASP A 75 73.864 22.803 6.122 1.00 0.00 O ATOM 1213 CB ASP A 75 75.554 20.650 4.333 1.00 0.00 C ATOM 1214 CG ASP A 75 75.144 19.735 5.470 1.00 0.00 C ATOM 1215 OD1 ASP A 75 73.952 19.368 5.537 1.00 0.00 O ATOM 1216 OD2 ASP A 75 76.016 19.386 6.293 1.00 0.00 O ATOM 0 H ASP A 75 75.599 22.043 2.291 1.00 0.00 H new ATOM 0 HA ASP A 75 73.525 21.315 4.095 1.00 0.00 H new ATOM 0 HB2 ASP A 75 75.693 20.059 3.427 1.00 0.00 H new ATOM 0 HB3 ASP A 75 76.516 21.106 4.567 1.00 0.00 H new ATOM 1221 N LYS A 76 75.544 23.755 4.970 1.00 0.00 N ATOM 1222 CA LYS A 76 75.736 24.837 5.929 1.00 0.00 C ATOM 1223 C LYS A 76 74.499 25.727 6.000 1.00 0.00 C ATOM 1224 O LYS A 76 74.094 26.157 7.079 1.00 0.00 O ATOM 1225 CB LYS A 76 76.959 25.674 5.547 1.00 0.00 C ATOM 1226 CG LYS A 76 77.354 26.691 6.604 1.00 0.00 C ATOM 1227 CD LYS A 76 78.249 26.072 7.665 1.00 0.00 C ATOM 1228 CE LYS A 76 77.639 26.201 9.053 1.00 0.00 C ATOM 1229 NZ LYS A 76 77.052 24.916 9.522 1.00 0.00 N ATOM 0 H LYS A 76 76.176 23.785 4.170 1.00 0.00 H new ATOM 0 HA LYS A 76 75.900 24.394 6.911 1.00 0.00 H new ATOM 0 HB2 LYS A 76 77.802 25.008 5.363 1.00 0.00 H new ATOM 0 HB3 LYS A 76 76.754 26.195 4.612 1.00 0.00 H new ATOM 0 HG2 LYS A 76 77.872 27.526 6.132 1.00 0.00 H new ATOM 0 HG3 LYS A 76 76.458 27.096 7.074 1.00 0.00 H new ATOM 0 HD2 LYS A 76 78.413 25.019 7.435 1.00 0.00 H new ATOM 0 HD3 LYS A 76 79.225 26.558 7.648 1.00 0.00 H new ATOM 0 HE2 LYS A 76 78.404 26.529 9.757 1.00 0.00 H new ATOM 0 HE3 LYS A 76 76.867 26.970 9.040 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 76.894 24.961 10.549 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 76.146 24.752 9.039 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 77.706 24.136 9.306 1.00 0.00 H new ATOM 1243 N TRP A 77 73.904 25.998 4.844 1.00 0.00 N ATOM 1244 CA TRP A 77 72.713 26.836 4.775 1.00 0.00 C ATOM 1245 C TRP A 77 71.529 26.156 5.455 1.00 0.00 C ATOM 1246 O TRP A 77 70.856 26.753 6.296 1.00 0.00 O ATOM 1247 CB TRP A 77 72.368 27.150 3.319 1.00 0.00 C ATOM 1248 CG TRP A 77 71.001 27.740 3.146 1.00 0.00 C ATOM 1249 CD1 TRP A 77 70.669 29.064 3.185 1.00 0.00 C ATOM 1250 CD2 TRP A 77 69.783 27.026 2.908 1.00 0.00 C ATOM 1251 NE1 TRP A 77 69.318 29.216 2.987 1.00 0.00 N ATOM 1252 CE2 TRP A 77 68.752 27.980 2.813 1.00 0.00 C ATOM 1253 CE3 TRP A 77 69.464 25.673 2.765 1.00 0.00 C ATOM 1254 CZ2 TRP A 77 67.426 27.623 2.583 1.00 0.00 C ATOM 1255 CZ3 TRP A 77 68.147 25.320 2.536 1.00 0.00 C ATOM 1256 CH2 TRP A 77 67.142 26.292 2.446 1.00 0.00 C ATOM 0 H TRP A 77 74.227 25.649 3.942 1.00 0.00 H new ATOM 0 HA TRP A 77 72.924 27.768 5.300 1.00 0.00 H new ATOM 0 HB2 TRP A 77 73.108 27.843 2.919 1.00 0.00 H new ATOM 0 HB3 TRP A 77 72.438 26.235 2.731 1.00 0.00 H new ATOM 0 HD1 TRP A 77 71.366 29.873 3.348 1.00 0.00 H new ATOM 0 HE1 TRP A 77 68.817 30.105 2.972 1.00 0.00 H new ATOM 0 HE3 TRP A 77 70.232 24.917 2.832 1.00 0.00 H new ATOM 0 HZ2 TRP A 77 66.649 28.370 2.515 1.00 0.00 H new ATOM 0 HZ3 TRP A 77 67.889 24.277 2.425 1.00 0.00 H new ATOM 0 HH2 TRP A 77 66.123 25.984 2.265 1.00 0.00 H new ATOM 1267 N LYS A 78 71.281 24.904 5.087 1.00 0.00 N ATOM 1268 CA LYS A 78 70.179 24.141 5.663 1.00 0.00 C ATOM 1269 C LYS A 78 70.284 24.097 7.184 1.00 0.00 C ATOM 1270 O LYS A 78 69.284 24.232 7.890 1.00 0.00 O ATOM 1271 CB LYS A 78 70.168 22.718 5.100 1.00 0.00 C ATOM 1272 CG LYS A 78 69.168 21.801 5.783 1.00 0.00 C ATOM 1273 CD LYS A 78 67.755 22.352 5.692 1.00 0.00 C ATOM 1274 CE LYS A 78 66.733 21.356 6.217 1.00 0.00 C ATOM 1275 NZ LYS A 78 66.717 21.310 7.706 1.00 0.00 N ATOM 0 H LYS A 78 71.828 24.395 4.392 1.00 0.00 H new ATOM 0 HA LYS A 78 69.247 24.638 5.395 1.00 0.00 H new ATOM 0 HB2 LYS A 78 69.941 22.760 4.035 1.00 0.00 H new ATOM 0 HB3 LYS A 78 71.166 22.290 5.197 1.00 0.00 H new ATOM 0 HG2 LYS A 78 69.205 20.814 5.323 1.00 0.00 H new ATOM 0 HG3 LYS A 78 69.444 21.675 6.830 1.00 0.00 H new ATOM 0 HD2 LYS A 78 67.687 23.279 6.262 1.00 0.00 H new ATOM 0 HD3 LYS A 78 67.525 22.598 4.655 1.00 0.00 H new ATOM 0 HE2 LYS A 78 65.742 21.626 5.851 1.00 0.00 H new ATOM 0 HE3 LYS A 78 66.958 20.364 5.825 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 66.007 20.619 8.024 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 67.655 21.028 8.055 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 66.477 22.250 8.080 1.00 0.00 H new ATOM 1289 N THR A 79 71.502 23.908 7.684 1.00 0.00 N ATOM 1290 CA THR A 79 71.737 23.847 9.120 1.00 0.00 C ATOM 1291 C THR A 79 71.513 25.206 9.773 1.00 0.00 C ATOM 1292 O THR A 79 70.775 25.322 10.753 1.00 0.00 O ATOM 1293 CB THR A 79 73.167 23.369 9.436 1.00 0.00 C ATOM 1294 OG1 THR A 79 73.494 22.235 8.625 1.00 0.00 O ATOM 1295 CG2 THR A 79 73.304 23.005 10.906 1.00 0.00 C ATOM 0 H THR A 79 72.340 23.795 7.114 1.00 0.00 H new ATOM 0 HA THR A 79 71.023 23.130 9.526 1.00 0.00 H new ATOM 0 HB THR A 79 73.856 24.184 9.215 1.00 0.00 H new ATOM 0 HG1 THR A 79 73.833 22.540 7.758 1.00 0.00 H new ATOM 0 HG21 THR A 79 74.322 22.670 11.105 1.00 0.00 H new ATOM 0 HG22 THR A 79 73.083 23.879 11.519 1.00 0.00 H new ATOM 0 HG23 THR A 79 72.605 22.205 11.149 1.00 0.00 H new ATOM 1303 N LEU A 80 72.151 26.234 9.224 1.00 0.00 N ATOM 1304 CA LEU A 80 72.020 27.587 9.752 1.00 0.00 C ATOM 1305 C LEU A 80 70.565 28.044 9.725 1.00 0.00 C ATOM 1306 O LEU A 80 70.130 28.816 10.579 1.00 0.00 O ATOM 1307 CB LEU A 80 72.886 28.557 8.946 1.00 0.00 C ATOM 1308 CG LEU A 80 72.149 29.422 7.922 1.00 0.00 C ATOM 1309 CD1 LEU A 80 71.545 30.645 8.594 1.00 0.00 C ATOM 1310 CD2 LEU A 80 73.089 29.837 6.800 1.00 0.00 C ATOM 0 H LEU A 80 72.765 26.156 8.413 1.00 0.00 H new ATOM 0 HA LEU A 80 72.360 27.580 10.787 1.00 0.00 H new ATOM 0 HB2 LEU A 80 73.404 29.216 9.643 1.00 0.00 H new ATOM 0 HB3 LEU A 80 73.650 27.982 8.423 1.00 0.00 H new ATOM 0 HG LEU A 80 71.340 28.833 7.491 1.00 0.00 H new ATOM 0 HD11 LEU A 80 71.025 31.249 7.851 1.00 0.00 H new ATOM 0 HD12 LEU A 80 70.840 30.327 9.362 1.00 0.00 H new ATOM 0 HD13 LEU A 80 72.337 31.237 9.052 1.00 0.00 H new ATOM 0 HD21 LEU A 80 72.548 30.452 6.081 1.00 0.00 H new ATOM 0 HD22 LEU A 80 73.919 30.409 7.214 1.00 0.00 H new ATOM 0 HD23 LEU A 80 73.474 28.948 6.300 1.00 0.00 H new ATOM 1322 N VAL A 81 69.816 27.559 8.740 1.00 0.00 N ATOM 1323 CA VAL A 81 68.409 27.914 8.603 1.00 0.00 C ATOM 1324 C VAL A 81 67.576 27.300 9.722 1.00 0.00 C ATOM 1325 O VAL A 81 66.752 27.975 10.340 1.00 0.00 O ATOM 1326 CB VAL A 81 67.843 27.456 7.246 1.00 0.00 C ATOM 1327 CG1 VAL A 81 66.324 27.527 7.249 1.00 0.00 C ATOM 1328 CG2 VAL A 81 68.422 28.295 6.117 1.00 0.00 C ATOM 0 H VAL A 81 70.161 26.919 8.025 1.00 0.00 H new ATOM 0 HA VAL A 81 68.350 29.001 8.664 1.00 0.00 H new ATOM 0 HB VAL A 81 68.134 26.418 7.083 1.00 0.00 H new ATOM 0 HG11 VAL A 81 65.943 27.200 6.282 1.00 0.00 H new ATOM 0 HG12 VAL A 81 65.931 26.879 8.032 1.00 0.00 H new ATOM 0 HG13 VAL A 81 66.008 28.554 7.435 1.00 0.00 H new ATOM 0 HG21 VAL A 81 68.011 27.958 5.165 1.00 0.00 H new ATOM 0 HG22 VAL A 81 68.164 29.342 6.273 1.00 0.00 H new ATOM 0 HG23 VAL A 81 69.507 28.187 6.103 1.00 0.00 H new ATOM 1338 N HIS A 82 67.795 26.014 9.979 1.00 0.00 N ATOM 1339 CA HIS A 82 67.065 25.308 11.025 1.00 0.00 C ATOM 1340 C HIS A 82 67.339 25.928 12.392 1.00 0.00 C ATOM 1341 O HIS A 82 66.439 26.044 13.225 1.00 0.00 O ATOM 1342 CB HIS A 82 67.453 23.829 11.037 1.00 0.00 C ATOM 1343 CG HIS A 82 66.374 22.931 11.561 1.00 0.00 C ATOM 1344 ND1 HIS A 82 65.077 22.962 11.095 1.00 0.00 N ATOM 1345 CD2 HIS A 82 66.407 21.972 12.516 1.00 0.00 C ATOM 1346 CE1 HIS A 82 64.357 22.063 11.742 1.00 0.00 C ATOM 1347 NE2 HIS A 82 65.141 21.448 12.609 1.00 0.00 N ATOM 0 H HIS A 82 68.472 25.440 9.477 1.00 0.00 H new ATOM 0 HA HIS A 82 65.999 25.395 10.813 1.00 0.00 H new ATOM 0 HB2 HIS A 82 67.710 23.521 10.024 1.00 0.00 H new ATOM 0 HB3 HIS A 82 68.348 23.702 11.646 1.00 0.00 H new ATOM 0 HD2 HIS A 82 67.268 21.675 13.096 1.00 0.00 H new ATOM 0 HE1 HIS A 82 63.307 21.865 11.588 1.00 0.00 H new ATOM 0 HE2 HIS A 82 64.853 20.704 13.245 1.00 0.00 H new ATOM 1355 N THR A 83 68.587 26.326 12.617 1.00 0.00 N ATOM 1356 CA THR A 83 68.980 26.932 13.883 1.00 0.00 C ATOM 1357 C THR A 83 68.440 28.353 14.003 1.00 0.00 C ATOM 1358 O THR A 83 68.163 28.831 15.102 1.00 0.00 O ATOM 1359 CB THR A 83 70.512 26.962 14.040 1.00 0.00 C ATOM 1360 OG1 THR A 83 71.058 25.666 13.771 1.00 0.00 O ATOM 1361 CG2 THR A 83 70.903 27.401 15.443 1.00 0.00 C ATOM 0 H THR A 83 69.344 26.239 11.938 1.00 0.00 H new ATOM 0 HA THR A 83 68.553 26.316 14.674 1.00 0.00 H new ATOM 0 HB THR A 83 70.914 27.680 13.326 1.00 0.00 H new ATOM 0 HG1 THR A 83 71.015 25.486 12.809 1.00 0.00 H new ATOM 0 HG21 THR A 83 71.989 27.415 15.530 1.00 0.00 H new ATOM 0 HG22 THR A 83 70.511 28.400 15.634 1.00 0.00 H new ATOM 0 HG23 THR A 83 70.489 26.703 16.171 1.00 0.00 H new ATOM 1369 N ALA A 84 68.291 29.022 12.864 1.00 0.00 N ATOM 1370 CA ALA A 84 67.781 30.388 12.842 1.00 0.00 C ATOM 1371 C ALA A 84 66.257 30.404 12.844 1.00 0.00 C ATOM 1372 O ALA A 84 65.638 31.461 12.971 1.00 0.00 O ATOM 1373 CB ALA A 84 68.318 31.132 11.628 1.00 0.00 C ATOM 0 H ALA A 84 68.516 28.641 11.945 1.00 0.00 H new ATOM 0 HA ALA A 84 68.124 30.893 13.745 1.00 0.00 H new ATOM 0 HB1 ALA A 84 67.929 32.150 11.624 1.00 0.00 H new ATOM 0 HB2 ALA A 84 69.407 31.159 11.670 1.00 0.00 H new ATOM 0 HB3 ALA A 84 68.003 30.620 10.719 1.00 0.00 H new ATOM 1379 N SER A 85 65.656 29.227 12.702 1.00 0.00 N ATOM 1380 CA SER A 85 64.203 29.107 12.683 1.00 0.00 C ATOM 1381 C SER A 85 63.686 28.552 14.007 1.00 0.00 C ATOM 1382 O SER A 85 62.609 28.927 14.471 1.00 0.00 O ATOM 1383 CB SER A 85 63.760 28.204 11.530 1.00 0.00 C ATOM 1384 OG SER A 85 62.783 27.272 11.960 1.00 0.00 O ATOM 0 H SER A 85 66.153 28.342 12.598 1.00 0.00 H new ATOM 0 HA SER A 85 63.783 30.102 12.538 1.00 0.00 H new ATOM 0 HB2 SER A 85 63.356 28.813 10.721 1.00 0.00 H new ATOM 0 HB3 SER A 85 64.622 27.672 11.128 1.00 0.00 H new ATOM 0 HG SER A 85 62.515 26.708 11.205 1.00 0.00 H new ATOM 1390 N ILE A 86 64.462 27.657 14.609 1.00 0.00 N ATOM 1391 CA ILE A 86 64.084 27.051 15.879 1.00 0.00 C ATOM 1392 C ILE A 86 63.804 28.116 16.935 1.00 0.00 C ATOM 1393 O ILE A 86 63.936 29.312 16.675 1.00 0.00 O ATOM 1394 CB ILE A 86 65.181 26.105 16.400 1.00 0.00 C ATOM 1395 CG1 ILE A 86 66.537 26.813 16.403 1.00 0.00 C ATOM 1396 CG2 ILE A 86 65.238 24.843 15.552 1.00 0.00 C ATOM 1397 CD1 ILE A 86 67.632 26.020 17.083 1.00 0.00 C ATOM 0 H ILE A 86 65.356 27.336 14.238 1.00 0.00 H new ATOM 0 HA ILE A 86 63.176 26.476 15.696 1.00 0.00 H new ATOM 0 HB ILE A 86 64.939 25.821 17.424 1.00 0.00 H new ATOM 0 HG12 ILE A 86 66.833 27.017 15.374 1.00 0.00 H new ATOM 0 HG13 ILE A 86 66.434 27.776 16.902 1.00 0.00 H new ATOM 0 HG21 ILE A 86 66.018 24.184 15.933 1.00 0.00 H new ATOM 0 HG22 ILE A 86 64.277 24.331 15.597 1.00 0.00 H new ATOM 0 HG23 ILE A 86 65.460 25.109 14.518 1.00 0.00 H new ATOM 0 HD11 ILE A 86 68.565 26.583 17.047 1.00 0.00 H new ATOM 0 HD12 ILE A 86 67.358 25.838 18.122 1.00 0.00 H new ATOM 0 HD13 ILE A 86 67.763 25.067 16.570 1.00 0.00 H new ATOM 1409 N ALA A 87 63.418 27.673 18.127 1.00 0.00 N ATOM 1410 CA ALA A 87 63.123 28.587 19.223 1.00 0.00 C ATOM 1411 C ALA A 87 64.264 29.578 19.434 1.00 0.00 C ATOM 1412 O ALA A 87 65.397 29.356 19.008 1.00 0.00 O ATOM 1413 CB ALA A 87 62.855 27.809 20.502 1.00 0.00 C ATOM 0 H ALA A 87 63.302 26.686 18.358 1.00 0.00 H new ATOM 0 HA ALA A 87 62.229 29.152 18.961 1.00 0.00 H new ATOM 0 HB1 ALA A 87 62.636 28.505 21.312 1.00 0.00 H new ATOM 0 HB2 ALA A 87 62.003 27.146 20.353 1.00 0.00 H new ATOM 0 HB3 ALA A 87 63.734 27.218 20.759 1.00 0.00 H new ATOM 1419 N PRO A 88 63.959 30.698 20.105 1.00 0.00 N ATOM 1420 CA PRO A 88 64.946 31.745 20.387 1.00 0.00 C ATOM 1421 C PRO A 88 65.988 31.299 21.408 1.00 0.00 C ATOM 1422 O PRO A 88 67.115 31.792 21.411 1.00 0.00 O ATOM 1423 CB PRO A 88 64.098 32.888 20.953 1.00 0.00 C ATOM 1424 CG PRO A 88 62.893 32.221 21.519 1.00 0.00 C ATOM 1425 CD PRO A 88 62.628 31.028 20.642 1.00 0.00 C ATOM 0 HA PRO A 88 65.516 32.018 19.499 1.00 0.00 H new ATOM 0 HB2 PRO A 88 64.641 33.442 21.719 1.00 0.00 H new ATOM 0 HB3 PRO A 88 63.827 33.602 20.176 1.00 0.00 H new ATOM 0 HG2 PRO A 88 63.065 31.916 22.551 1.00 0.00 H new ATOM 0 HG3 PRO A 88 62.039 32.898 21.525 1.00 0.00 H new ATOM 0 HD2 PRO A 88 62.206 30.198 21.209 1.00 0.00 H new ATOM 0 HD3 PRO A 88 61.921 31.263 19.847 1.00 0.00 H new ATOM 1433 N GLN A 89 65.603 30.365 22.271 1.00 0.00 N ATOM 1434 CA GLN A 89 66.505 29.854 23.296 1.00 0.00 C ATOM 1435 C GLN A 89 67.438 28.793 22.721 1.00 0.00 C ATOM 1436 O GLN A 89 68.512 28.538 23.264 1.00 0.00 O ATOM 1437 CB GLN A 89 65.707 29.270 24.463 1.00 0.00 C ATOM 1438 CG GLN A 89 64.974 27.985 24.116 1.00 0.00 C ATOM 1439 CD GLN A 89 63.937 27.606 25.154 1.00 0.00 C ATOM 1440 OE1 GLN A 89 64.097 27.891 26.341 1.00 0.00 O ATOM 1441 NE2 GLN A 89 62.864 26.959 24.712 1.00 0.00 N ATOM 0 H GLN A 89 64.673 29.947 22.281 1.00 0.00 H new ATOM 0 HA GLN A 89 67.110 30.685 23.659 1.00 0.00 H new ATOM 0 HB2 GLN A 89 66.384 29.079 25.296 1.00 0.00 H new ATOM 0 HB3 GLN A 89 64.983 30.010 24.804 1.00 0.00 H new ATOM 0 HG2 GLN A 89 64.488 28.099 23.147 1.00 0.00 H new ATOM 0 HG3 GLN A 89 65.696 27.175 24.017 1.00 0.00 H new ATOM 0 HE21 GLN A 89 62.772 26.743 23.719 1.00 0.00 H new ATOM 0 HE22 GLN A 89 62.133 26.678 25.365 1.00 0.00 H new ATOM 1450 N GLN A 90 67.018 28.179 21.619 1.00 0.00 N ATOM 1451 CA GLN A 90 67.817 27.144 20.972 1.00 0.00 C ATOM 1452 C GLN A 90 68.694 27.740 19.876 1.00 0.00 C ATOM 1453 O GLN A 90 69.822 27.297 19.661 1.00 0.00 O ATOM 1454 CB GLN A 90 66.908 26.064 20.383 1.00 0.00 C ATOM 1455 CG GLN A 90 66.035 25.373 21.417 1.00 0.00 C ATOM 1456 CD GLN A 90 66.823 24.444 22.320 1.00 0.00 C ATOM 1457 OE1 GLN A 90 68.014 24.215 22.106 1.00 0.00 O ATOM 1458 NE2 GLN A 90 66.161 23.903 23.336 1.00 0.00 N ATOM 0 H GLN A 90 66.131 28.380 21.156 1.00 0.00 H new ATOM 0 HA GLN A 90 68.464 26.694 21.725 1.00 0.00 H new ATOM 0 HB2 GLN A 90 66.269 26.514 19.623 1.00 0.00 H new ATOM 0 HB3 GLN A 90 67.523 25.317 19.882 1.00 0.00 H new ATOM 0 HG2 GLN A 90 65.534 26.126 22.025 1.00 0.00 H new ATOM 0 HG3 GLN A 90 65.256 24.805 20.908 1.00 0.00 H new ATOM 0 HE21 GLN A 90 65.174 24.121 23.476 1.00 0.00 H new ATOM 0 HE22 GLN A 90 66.639 23.270 23.977 1.00 0.00 H new ATOM 1467 N ARG A 91 68.169 28.747 19.186 1.00 0.00 N ATOM 1468 CA ARG A 91 68.904 29.403 18.111 1.00 0.00 C ATOM 1469 C ARG A 91 70.207 30.003 18.631 1.00 0.00 C ATOM 1470 O ARG A 91 71.162 30.187 17.876 1.00 0.00 O ATOM 1471 CB ARG A 91 68.046 30.496 17.471 1.00 0.00 C ATOM 1472 CG ARG A 91 67.936 31.756 18.315 1.00 0.00 C ATOM 1473 CD ARG A 91 68.974 32.790 17.911 1.00 0.00 C ATOM 1474 NE ARG A 91 68.529 34.152 18.194 1.00 0.00 N ATOM 1475 CZ ARG A 91 69.222 35.236 17.862 1.00 0.00 C ATOM 1476 NH1 ARG A 91 70.386 35.117 17.238 1.00 0.00 N ATOM 1477 NH2 ARG A 91 68.751 36.441 18.154 1.00 0.00 N ATOM 0 H ARG A 91 67.237 29.127 19.352 1.00 0.00 H new ATOM 0 HA ARG A 91 69.145 28.652 17.358 1.00 0.00 H new ATOM 0 HB2 ARG A 91 68.468 30.755 16.500 1.00 0.00 H new ATOM 0 HB3 ARG A 91 67.046 30.102 17.290 1.00 0.00 H new ATOM 0 HG2 ARG A 91 66.938 32.180 18.208 1.00 0.00 H new ATOM 0 HG3 ARG A 91 68.064 31.502 19.367 1.00 0.00 H new ATOM 0 HD2 ARG A 91 69.906 32.595 18.442 1.00 0.00 H new ATOM 0 HD3 ARG A 91 69.188 32.692 16.847 1.00 0.00 H new ATOM 0 HE ARG A 91 67.637 34.278 18.673 1.00 0.00 H new ATOM 0 HH11 ARG A 91 70.751 34.192 17.012 1.00 0.00 H new ATOM 0 HH12 ARG A 91 70.916 35.951 16.984 1.00 0.00 H new ATOM 0 HH21 ARG A 91 67.856 36.536 18.634 1.00 0.00 H new ATOM 0 HH22 ARG A 91 69.284 37.272 17.899 1.00 0.00 H new ATOM 1491 N ARG A 92 70.238 30.306 19.925 1.00 0.00 N ATOM 1492 CA ARG A 92 71.423 30.886 20.545 1.00 0.00 C ATOM 1493 C ARG A 92 72.664 30.055 20.231 1.00 0.00 C ATOM 1494 O ARG A 92 72.861 28.979 20.794 1.00 0.00 O ATOM 1495 CB ARG A 92 71.234 30.988 22.060 1.00 0.00 C ATOM 1496 CG ARG A 92 69.967 31.720 22.467 1.00 0.00 C ATOM 1497 CD ARG A 92 70.126 32.399 23.819 1.00 0.00 C ATOM 1498 NE ARG A 92 71.029 33.545 23.753 1.00 0.00 N ATOM 1499 CZ ARG A 92 71.054 34.513 24.662 1.00 0.00 C ATOM 1500 NH1 ARG A 92 70.231 34.474 25.701 1.00 0.00 N ATOM 1501 NH2 ARG A 92 71.904 35.524 24.533 1.00 0.00 N ATOM 0 H ARG A 92 69.456 30.159 20.564 1.00 0.00 H new ATOM 0 HA ARG A 92 71.564 31.886 20.135 1.00 0.00 H new ATOM 0 HB2 ARG A 92 71.216 29.984 22.484 1.00 0.00 H new ATOM 0 HB3 ARG A 92 72.094 31.500 22.491 1.00 0.00 H new ATOM 0 HG2 ARG A 92 69.717 32.465 21.712 1.00 0.00 H new ATOM 0 HG3 ARG A 92 69.136 31.016 22.508 1.00 0.00 H new ATOM 0 HD2 ARG A 92 69.150 32.727 24.177 1.00 0.00 H new ATOM 0 HD3 ARG A 92 70.506 31.679 24.544 1.00 0.00 H new ATOM 0 HE ARG A 92 71.675 33.605 22.966 1.00 0.00 H new ATOM 0 HH11 ARG A 92 69.576 33.699 25.804 1.00 0.00 H new ATOM 0 HH12 ARG A 92 70.253 35.219 26.397 1.00 0.00 H new ATOM 0 HH21 ARG A 92 72.539 35.558 23.735 1.00 0.00 H new ATOM 0 HH22 ARG A 92 71.923 36.267 25.232 1.00 0.00 H new ATOM 1515 N GLY A 93 73.497 30.562 19.328 1.00 0.00 N ATOM 1516 CA GLY A 93 74.707 29.853 18.954 1.00 0.00 C ATOM 1517 C GLY A 93 75.925 30.755 18.938 1.00 0.00 C ATOM 1518 O GLY A 93 76.682 30.804 19.907 1.00 0.00 O ATOM 0 H GLY A 93 73.356 31.451 18.849 1.00 0.00 H new ATOM 0 HA2 GLY A 93 74.875 29.033 19.652 1.00 0.00 H new ATOM 0 HA3 GLY A 93 74.574 29.409 17.967 1.00 0.00 H new ATOM 1522 N ALA A 94 76.116 31.469 17.833 1.00 0.00 N ATOM 1523 CA ALA A 94 77.251 32.373 17.695 1.00 0.00 C ATOM 1524 C ALA A 94 76.786 33.809 17.479 1.00 0.00 C ATOM 1525 O ALA A 94 75.647 34.066 17.087 1.00 0.00 O ATOM 1526 CB ALA A 94 78.144 31.928 16.547 1.00 0.00 C ATOM 0 H ALA A 94 75.499 31.439 17.021 1.00 0.00 H new ATOM 0 HA ALA A 94 77.825 32.340 18.621 1.00 0.00 H new ATOM 0 HB1 ALA A 94 78.987 32.612 16.456 1.00 0.00 H new ATOM 0 HB2 ALA A 94 78.513 30.921 16.742 1.00 0.00 H new ATOM 0 HB3 ALA A 94 77.572 31.931 15.619 1.00 0.00 H new ATOM 1532 N PRO A 95 77.685 34.769 17.741 1.00 0.00 N ATOM 1533 CA PRO A 95 77.389 36.196 17.582 1.00 0.00 C ATOM 1534 C PRO A 95 77.240 36.598 16.119 1.00 0.00 C ATOM 1535 O PRO A 95 78.189 37.075 15.496 1.00 0.00 O ATOM 1536 CB PRO A 95 78.607 36.883 18.204 1.00 0.00 C ATOM 1537 CG PRO A 95 79.708 35.887 18.079 1.00 0.00 C ATOM 1538 CD PRO A 95 79.061 34.536 18.211 1.00 0.00 C ATOM 0 HA PRO A 95 76.443 36.470 18.049 1.00 0.00 H new ATOM 0 HB2 PRO A 95 78.849 37.809 17.682 1.00 0.00 H new ATOM 0 HB3 PRO A 95 78.425 37.144 19.247 1.00 0.00 H new ATOM 0 HG2 PRO A 95 80.215 35.985 17.119 1.00 0.00 H new ATOM 0 HG3 PRO A 95 80.460 36.037 18.854 1.00 0.00 H new ATOM 0 HD2 PRO A 95 79.570 33.786 17.606 1.00 0.00 H new ATOM 0 HD3 PRO A 95 79.079 34.181 19.241 1.00 0.00 H new ATOM 1546 N VAL A 96 76.042 36.403 15.575 1.00 0.00 N ATOM 1547 CA VAL A 96 75.769 36.747 14.185 1.00 0.00 C ATOM 1548 C VAL A 96 74.636 37.763 14.082 1.00 0.00 C ATOM 1549 O VAL A 96 73.790 37.877 14.969 1.00 0.00 O ATOM 1550 CB VAL A 96 75.401 35.499 13.360 1.00 0.00 C ATOM 1551 CG1 VAL A 96 76.647 34.691 13.030 1.00 0.00 C ATOM 1552 CG2 VAL A 96 74.386 34.648 14.107 1.00 0.00 C ATOM 0 H VAL A 96 75.246 36.009 16.076 1.00 0.00 H new ATOM 0 HA VAL A 96 76.683 37.184 13.782 1.00 0.00 H new ATOM 0 HB VAL A 96 74.949 35.824 12.423 1.00 0.00 H new ATOM 0 HG11 VAL A 96 76.368 33.813 12.447 1.00 0.00 H new ATOM 0 HG12 VAL A 96 77.337 35.306 12.452 1.00 0.00 H new ATOM 0 HG13 VAL A 96 77.130 34.374 13.954 1.00 0.00 H new ATOM 0 HG21 VAL A 96 74.137 33.771 13.510 1.00 0.00 H new ATOM 0 HG22 VAL A 96 74.809 34.330 15.060 1.00 0.00 H new ATOM 0 HG23 VAL A 96 73.484 35.232 14.287 1.00 0.00 H new ATOM 1562 N PRO A 97 74.618 38.518 12.974 1.00 0.00 N ATOM 1563 CA PRO A 97 73.593 39.537 12.728 1.00 0.00 C ATOM 1564 C PRO A 97 72.223 38.927 12.454 1.00 0.00 C ATOM 1565 O PRO A 97 72.116 37.885 11.809 1.00 0.00 O ATOM 1566 CB PRO A 97 74.111 40.268 11.487 1.00 0.00 C ATOM 1567 CG PRO A 97 74.972 39.272 10.792 1.00 0.00 C ATOM 1568 CD PRO A 97 75.595 38.435 11.876 1.00 0.00 C ATOM 0 HA PRO A 97 73.447 40.185 13.592 1.00 0.00 H new ATOM 0 HB2 PRO A 97 73.290 40.595 10.849 1.00 0.00 H new ATOM 0 HB3 PRO A 97 74.677 41.159 11.760 1.00 0.00 H new ATOM 0 HG2 PRO A 97 74.384 38.655 10.112 1.00 0.00 H new ATOM 0 HG3 PRO A 97 75.736 39.767 10.193 1.00 0.00 H new ATOM 0 HD2 PRO A 97 75.748 37.406 11.551 1.00 0.00 H new ATOM 0 HD3 PRO A 97 76.569 38.823 12.174 1.00 0.00 H new ATOM 1576 N GLN A 98 71.178 39.584 12.948 1.00 0.00 N ATOM 1577 CA GLN A 98 69.814 39.105 12.755 1.00 0.00 C ATOM 1578 C GLN A 98 69.447 39.087 11.275 1.00 0.00 C ATOM 1579 O GLN A 98 68.668 38.245 10.829 1.00 0.00 O ATOM 1580 CB GLN A 98 68.829 39.984 13.527 1.00 0.00 C ATOM 1581 CG GLN A 98 68.616 41.353 12.901 1.00 0.00 C ATOM 1582 CD GLN A 98 67.619 42.197 13.670 1.00 0.00 C ATOM 1583 OE1 GLN A 98 66.782 41.674 14.406 1.00 0.00 O ATOM 1584 NE2 GLN A 98 67.704 43.512 13.504 1.00 0.00 N ATOM 0 H GLN A 98 71.250 40.449 13.484 1.00 0.00 H new ATOM 0 HA GLN A 98 69.756 38.086 13.136 1.00 0.00 H new ATOM 0 HB2 GLN A 98 67.870 39.470 13.592 1.00 0.00 H new ATOM 0 HB3 GLN A 98 69.192 40.112 14.547 1.00 0.00 H new ATOM 0 HG2 GLN A 98 69.570 41.878 12.852 1.00 0.00 H new ATOM 0 HG3 GLN A 98 68.267 41.229 11.876 1.00 0.00 H new ATOM 0 HE21 GLN A 98 68.413 43.903 12.884 1.00 0.00 H new ATOM 0 HE22 GLN A 98 67.060 44.131 13.997 1.00 0.00 H new ATOM 1593 N GLU A 99 70.014 40.022 10.519 1.00 0.00 N ATOM 1594 CA GLU A 99 69.745 40.114 9.089 1.00 0.00 C ATOM 1595 C GLU A 99 70.051 38.792 8.391 1.00 0.00 C ATOM 1596 O GLU A 99 69.372 38.407 7.438 1.00 0.00 O ATOM 1597 CB GLU A 99 70.573 41.238 8.462 1.00 0.00 C ATOM 1598 CG GLU A 99 72.062 40.941 8.413 1.00 0.00 C ATOM 1599 CD GLU A 99 72.911 42.174 8.657 1.00 0.00 C ATOM 1600 OE1 GLU A 99 72.393 43.296 8.478 1.00 0.00 O ATOM 1601 OE2 GLU A 99 74.093 42.016 9.028 1.00 0.00 O ATOM 0 H GLU A 99 70.662 40.726 10.873 1.00 0.00 H new ATOM 0 HA GLU A 99 68.686 40.337 8.959 1.00 0.00 H new ATOM 0 HB2 GLU A 99 70.214 41.421 7.449 1.00 0.00 H new ATOM 0 HB3 GLU A 99 70.412 42.156 9.028 1.00 0.00 H new ATOM 0 HG2 GLU A 99 72.303 40.185 9.160 1.00 0.00 H new ATOM 0 HG3 GLU A 99 72.313 40.519 7.440 1.00 0.00 H new ATOM 1608 N LEU A 100 71.079 38.100 8.873 1.00 0.00 N ATOM 1609 CA LEU A 100 71.477 36.821 8.296 1.00 0.00 C ATOM 1610 C LEU A 100 70.362 35.790 8.437 1.00 0.00 C ATOM 1611 O LEU A 100 70.094 35.019 7.514 1.00 0.00 O ATOM 1612 CB LEU A 100 72.750 36.308 8.973 1.00 0.00 C ATOM 1613 CG LEU A 100 74.045 36.472 8.178 1.00 0.00 C ATOM 1614 CD1 LEU A 100 74.185 37.900 7.672 1.00 0.00 C ATOM 1615 CD2 LEU A 100 75.246 36.086 9.029 1.00 0.00 C ATOM 0 H LEU A 100 71.651 38.403 9.661 1.00 0.00 H new ATOM 0 HA LEU A 100 71.673 36.974 7.235 1.00 0.00 H new ATOM 0 HB2 LEU A 100 72.864 36.825 9.926 1.00 0.00 H new ATOM 0 HB3 LEU A 100 72.617 35.250 9.198 1.00 0.00 H new ATOM 0 HG LEU A 100 74.006 35.806 7.316 1.00 0.00 H new ATOM 0 HD11 LEU A 100 75.113 37.997 7.108 1.00 0.00 H new ATOM 0 HD12 LEU A 100 73.341 38.141 7.026 1.00 0.00 H new ATOM 0 HD13 LEU A 100 74.201 38.586 8.519 1.00 0.00 H new ATOM 0 HD21 LEU A 100 76.159 36.209 8.447 1.00 0.00 H new ATOM 0 HD22 LEU A 100 75.288 36.726 9.910 1.00 0.00 H new ATOM 0 HD23 LEU A 100 75.152 35.046 9.341 1.00 0.00 H new ATOM 1627 N LEU A 101 69.714 35.782 9.596 1.00 0.00 N ATOM 1628 CA LEU A 101 68.625 34.846 9.857 1.00 0.00 C ATOM 1629 C LEU A 101 67.359 35.263 9.115 1.00 0.00 C ATOM 1630 O LEU A 101 66.512 34.429 8.796 1.00 0.00 O ATOM 1631 CB LEU A 101 68.346 34.765 11.359 1.00 0.00 C ATOM 1632 CG LEU A 101 69.522 34.338 12.238 1.00 0.00 C ATOM 1633 CD1 LEU A 101 70.532 33.541 11.428 1.00 0.00 C ATOM 1634 CD2 LEU A 101 70.183 35.554 12.871 1.00 0.00 C ATOM 0 H LEU A 101 69.923 36.412 10.370 1.00 0.00 H new ATOM 0 HA LEU A 101 68.928 33.863 9.496 1.00 0.00 H new ATOM 0 HB2 LEU A 101 68.001 35.742 11.697 1.00 0.00 H new ATOM 0 HB3 LEU A 101 67.526 34.065 11.519 1.00 0.00 H new ATOM 0 HG LEU A 101 69.142 33.699 13.035 1.00 0.00 H new ATOM 0 HD11 LEU A 101 71.362 33.246 12.070 1.00 0.00 H new ATOM 0 HD12 LEU A 101 70.052 32.650 11.023 1.00 0.00 H new ATOM 0 HD13 LEU A 101 70.907 34.155 10.609 1.00 0.00 H new ATOM 0 HD21 LEU A 101 71.018 35.232 13.493 1.00 0.00 H new ATOM 0 HD22 LEU A 101 70.549 36.218 12.088 1.00 0.00 H new ATOM 0 HD23 LEU A 101 69.456 36.085 13.486 1.00 0.00 H new ATOM 1646 N ASP A 102 67.239 36.557 8.842 1.00 0.00 N ATOM 1647 CA ASP A 102 66.078 37.085 8.134 1.00 0.00 C ATOM 1648 C ASP A 102 66.153 36.755 6.647 1.00 0.00 C ATOM 1649 O ASP A 102 65.137 36.468 6.013 1.00 0.00 O ATOM 1650 CB ASP A 102 65.979 38.598 8.330 1.00 0.00 C ATOM 1651 CG ASP A 102 64.613 39.142 7.959 1.00 0.00 C ATOM 1652 OD1 ASP A 102 63.837 38.407 7.312 1.00 0.00 O ATOM 1653 OD2 ASP A 102 64.320 40.302 8.316 1.00 0.00 O ATOM 0 H ASP A 102 67.931 37.260 9.100 1.00 0.00 H new ATOM 0 HA ASP A 102 65.186 36.615 8.547 1.00 0.00 H new ATOM 0 HB2 ASP A 102 66.193 38.841 9.371 1.00 0.00 H new ATOM 0 HB3 ASP A 102 66.740 39.090 7.724 1.00 0.00 H new ATOM 1658 N ARG A 103 67.361 36.800 6.096 1.00 0.00 N ATOM 1659 CA ARG A 103 67.568 36.508 4.683 1.00 0.00 C ATOM 1660 C ARG A 103 67.452 35.011 4.414 1.00 0.00 C ATOM 1661 O ARG A 103 66.863 34.592 3.417 1.00 0.00 O ATOM 1662 CB ARG A 103 68.940 37.014 4.231 1.00 0.00 C ATOM 1663 CG ARG A 103 70.096 36.433 5.029 1.00 0.00 C ATOM 1664 CD ARG A 103 71.436 36.929 4.510 1.00 0.00 C ATOM 1665 NE ARG A 103 71.699 38.310 4.906 1.00 0.00 N ATOM 1666 CZ ARG A 103 71.356 39.363 4.172 1.00 0.00 C ATOM 1667 NH1 ARG A 103 70.739 39.193 3.011 1.00 0.00 N ATOM 1668 NH2 ARG A 103 71.630 40.588 4.600 1.00 0.00 N ATOM 0 H ARG A 103 68.212 37.036 6.607 1.00 0.00 H new ATOM 0 HA ARG A 103 66.793 37.023 4.115 1.00 0.00 H new ATOM 0 HB2 ARG A 103 69.078 36.771 3.177 1.00 0.00 H new ATOM 0 HB3 ARG A 103 68.962 38.101 4.313 1.00 0.00 H new ATOM 0 HG2 ARG A 103 69.988 36.705 6.079 1.00 0.00 H new ATOM 0 HG3 ARG A 103 70.065 35.345 4.977 1.00 0.00 H new ATOM 0 HD2 ARG A 103 72.231 36.286 4.887 1.00 0.00 H new ATOM 0 HD3 ARG A 103 71.454 36.854 3.423 1.00 0.00 H new ATOM 0 HE ARG A 103 72.172 38.475 5.795 1.00 0.00 H new ATOM 0 HH11 ARG A 103 70.527 38.252 2.679 1.00 0.00 H new ATOM 0 HH12 ARG A 103 70.477 40.003 2.449 1.00 0.00 H new ATOM 0 HH21 ARG A 103 72.104 40.722 5.493 1.00 0.00 H new ATOM 0 HH22 ARG A 103 71.366 41.396 4.036 1.00 0.00 H new ATOM 1682 N VAL A 104 68.018 34.208 5.309 1.00 0.00 N ATOM 1683 CA VAL A 104 67.977 32.758 5.169 1.00 0.00 C ATOM 1684 C VAL A 104 66.565 32.224 5.380 1.00 0.00 C ATOM 1685 O VAL A 104 66.125 31.308 4.684 1.00 0.00 O ATOM 1686 CB VAL A 104 68.928 32.071 6.168 1.00 0.00 C ATOM 1687 CG1 VAL A 104 70.350 32.578 5.987 1.00 0.00 C ATOM 1688 CG2 VAL A 104 68.451 32.293 7.596 1.00 0.00 C ATOM 0 H VAL A 104 68.511 34.538 6.139 1.00 0.00 H new ATOM 0 HA VAL A 104 68.300 32.529 4.153 1.00 0.00 H new ATOM 0 HB VAL A 104 68.923 30.999 5.970 1.00 0.00 H new ATOM 0 HG11 VAL A 104 71.007 32.081 6.701 1.00 0.00 H new ATOM 0 HG12 VAL A 104 70.687 32.362 4.973 1.00 0.00 H new ATOM 0 HG13 VAL A 104 70.377 33.654 6.157 1.00 0.00 H new ATOM 0 HG21 VAL A 104 69.134 31.801 8.288 1.00 0.00 H new ATOM 0 HG22 VAL A 104 68.426 33.362 7.809 1.00 0.00 H new ATOM 0 HG23 VAL A 104 67.451 31.875 7.715 1.00 0.00 H new ATOM 1698 N LEU A 105 65.857 32.803 6.344 1.00 0.00 N ATOM 1699 CA LEU A 105 64.492 32.387 6.646 1.00 0.00 C ATOM 1700 C LEU A 105 63.530 32.838 5.552 1.00 0.00 C ATOM 1701 O LEU A 105 62.762 32.038 5.019 1.00 0.00 O ATOM 1702 CB LEU A 105 64.051 32.957 7.995 1.00 0.00 C ATOM 1703 CG LEU A 105 64.628 32.271 9.235 1.00 0.00 C ATOM 1704 CD1 LEU A 105 64.270 33.050 10.491 1.00 0.00 C ATOM 1705 CD2 LEU A 105 64.127 30.838 9.332 1.00 0.00 C ATOM 0 H LEU A 105 66.206 33.562 6.930 1.00 0.00 H new ATOM 0 HA LEU A 105 64.473 31.298 6.694 1.00 0.00 H new ATOM 0 HB2 LEU A 105 64.324 34.012 8.028 1.00 0.00 H new ATOM 0 HB3 LEU A 105 62.964 32.907 8.050 1.00 0.00 H new ATOM 0 HG LEU A 105 65.714 32.250 9.144 1.00 0.00 H new ATOM 0 HD11 LEU A 105 64.689 32.547 11.363 1.00 0.00 H new ATOM 0 HD12 LEU A 105 64.678 34.058 10.423 1.00 0.00 H new ATOM 0 HD13 LEU A 105 63.186 33.104 10.589 1.00 0.00 H new ATOM 0 HD21 LEU A 105 64.547 30.365 10.220 1.00 0.00 H new ATOM 0 HD22 LEU A 105 63.039 30.837 9.401 1.00 0.00 H new ATOM 0 HD23 LEU A 105 64.435 30.284 8.445 1.00 0.00 H new ATOM 1717 N ALA A 106 63.580 34.124 5.220 1.00 0.00 N ATOM 1718 CA ALA A 106 62.717 34.680 4.186 1.00 0.00 C ATOM 1719 C ALA A 106 62.882 33.929 2.869 1.00 0.00 C ATOM 1720 O ALA A 106 61.901 33.602 2.203 1.00 0.00 O ATOM 1721 CB ALA A 106 63.011 36.160 3.992 1.00 0.00 C ATOM 0 H ALA A 106 64.209 34.800 5.653 1.00 0.00 H new ATOM 0 HA ALA A 106 61.683 34.566 4.512 1.00 0.00 H new ATOM 0 HB1 ALA A 106 62.359 36.562 3.217 1.00 0.00 H new ATOM 0 HB2 ALA A 106 62.834 36.692 4.927 1.00 0.00 H new ATOM 0 HB3 ALA A 106 64.051 36.288 3.693 1.00 0.00 H new ATOM 1727 N ALA A 107 64.130 33.659 2.500 1.00 0.00 N ATOM 1728 CA ALA A 107 64.424 32.946 1.264 1.00 0.00 C ATOM 1729 C ALA A 107 63.926 31.506 1.329 1.00 0.00 C ATOM 1730 O ALA A 107 63.360 30.992 0.365 1.00 0.00 O ATOM 1731 CB ALA A 107 65.918 32.976 0.979 1.00 0.00 C ATOM 0 H ALA A 107 64.954 33.924 3.040 1.00 0.00 H new ATOM 0 HA ALA A 107 63.900 33.449 0.451 1.00 0.00 H new ATOM 0 HB1 ALA A 107 66.123 32.439 0.053 1.00 0.00 H new ATOM 0 HB2 ALA A 107 66.249 34.010 0.880 1.00 0.00 H new ATOM 0 HB3 ALA A 107 66.455 32.500 1.800 1.00 0.00 H new ATOM 1737 N GLN A 108 64.140 30.862 2.472 1.00 0.00 N ATOM 1738 CA GLN A 108 63.714 29.480 2.661 1.00 0.00 C ATOM 1739 C GLN A 108 62.228 29.323 2.355 1.00 0.00 C ATOM 1740 O GLN A 108 61.833 28.453 1.579 1.00 0.00 O ATOM 1741 CB GLN A 108 64.002 29.027 4.093 1.00 0.00 C ATOM 1742 CG GLN A 108 63.721 27.552 4.333 1.00 0.00 C ATOM 1743 CD GLN A 108 62.245 27.264 4.527 1.00 0.00 C ATOM 1744 OE1 GLN A 108 61.482 28.131 4.952 1.00 0.00 O ATOM 1745 NE2 GLN A 108 61.835 26.040 4.216 1.00 0.00 N ATOM 0 H GLN A 108 64.605 31.275 3.280 1.00 0.00 H new ATOM 0 HA GLN A 108 64.278 28.854 1.969 1.00 0.00 H new ATOM 0 HB2 GLN A 108 65.047 29.232 4.327 1.00 0.00 H new ATOM 0 HB3 GLN A 108 63.399 29.620 4.781 1.00 0.00 H new ATOM 0 HG2 GLN A 108 64.092 26.973 3.488 1.00 0.00 H new ATOM 0 HG3 GLN A 108 64.271 27.220 5.213 1.00 0.00 H new ATOM 0 HE21 GLN A 108 62.502 25.352 3.867 1.00 0.00 H new ATOM 0 HE22 GLN A 108 60.853 25.788 4.326 1.00 0.00 H new ATOM 1754 N ALA A 109 61.409 30.170 2.970 1.00 0.00 N ATOM 1755 CA ALA A 109 59.967 30.126 2.761 1.00 0.00 C ATOM 1756 C ALA A 109 59.603 30.558 1.345 1.00 0.00 C ATOM 1757 O ALA A 109 58.658 30.039 0.751 1.00 0.00 O ATOM 1758 CB ALA A 109 59.259 31.005 3.781 1.00 0.00 C ATOM 0 H ALA A 109 61.720 30.895 3.617 1.00 0.00 H new ATOM 0 HA ALA A 109 59.637 29.096 2.894 1.00 0.00 H new ATOM 0 HB1 ALA A 109 58.183 30.963 3.613 1.00 0.00 H new ATOM 0 HB2 ALA A 109 59.484 30.649 4.786 1.00 0.00 H new ATOM 0 HB3 ALA A 109 59.602 32.034 3.675 1.00 0.00 H new ATOM 1764 N TYR A 110 60.359 31.510 0.809 1.00 0.00 N ATOM 1765 CA TYR A 110 60.114 32.014 -0.537 1.00 0.00 C ATOM 1766 C TYR A 110 60.149 30.880 -1.557 1.00 0.00 C ATOM 1767 O TYR A 110 59.314 30.817 -2.459 1.00 0.00 O ATOM 1768 CB TYR A 110 61.152 33.076 -0.903 1.00 0.00 C ATOM 1769 CG TYR A 110 60.717 33.984 -2.031 1.00 0.00 C ATOM 1770 CD1 TYR A 110 59.517 34.683 -1.963 1.00 0.00 C ATOM 1771 CD2 TYR A 110 61.503 34.143 -3.165 1.00 0.00 C ATOM 1772 CE1 TYR A 110 59.115 35.513 -2.991 1.00 0.00 C ATOM 1773 CE2 TYR A 110 61.110 34.972 -4.197 1.00 0.00 C ATOM 1774 CZ TYR A 110 59.915 35.655 -4.106 1.00 0.00 C ATOM 1775 OH TYR A 110 59.519 36.481 -5.133 1.00 0.00 O ATOM 0 H TYR A 110 61.147 31.948 1.286 1.00 0.00 H new ATOM 0 HA TYR A 110 59.122 32.464 -0.554 1.00 0.00 H new ATOM 0 HB2 TYR A 110 61.366 33.682 -0.022 1.00 0.00 H new ATOM 0 HB3 TYR A 110 62.082 32.582 -1.184 1.00 0.00 H new ATOM 0 HD1 TYR A 110 58.889 34.575 -1.091 1.00 0.00 H new ATOM 0 HD2 TYR A 110 62.438 33.609 -3.241 1.00 0.00 H new ATOM 0 HE1 TYR A 110 58.179 36.048 -2.922 1.00 0.00 H new ATOM 0 HE2 TYR A 110 61.735 35.085 -5.071 1.00 0.00 H new ATOM 0 HH TYR A 110 60.196 36.469 -5.842 1.00 0.00 H new ATOM 1785 N TRP A 111 61.121 29.988 -1.407 1.00 0.00 N ATOM 1786 CA TRP A 111 61.265 28.855 -2.315 1.00 0.00 C ATOM 1787 C TRP A 111 60.428 27.671 -1.846 1.00 0.00 C ATOM 1788 O TRP A 111 60.132 26.762 -2.621 1.00 0.00 O ATOM 1789 CB TRP A 111 62.735 28.446 -2.423 1.00 0.00 C ATOM 1790 CG TRP A 111 63.651 29.594 -2.721 1.00 0.00 C ATOM 1791 CD1 TRP A 111 64.800 29.919 -2.058 1.00 0.00 C ATOM 1792 CD2 TRP A 111 63.494 30.568 -3.759 1.00 0.00 C ATOM 1793 NE1 TRP A 111 65.366 31.038 -2.621 1.00 0.00 N ATOM 1794 CE2 TRP A 111 64.585 31.454 -3.666 1.00 0.00 C ATOM 1795 CE3 TRP A 111 62.540 30.777 -4.758 1.00 0.00 C ATOM 1796 CZ2 TRP A 111 64.744 32.531 -4.534 1.00 0.00 C ATOM 1797 CZ3 TRP A 111 62.699 31.846 -5.618 1.00 0.00 C ATOM 1798 CH2 TRP A 111 63.795 32.712 -5.503 1.00 0.00 C ATOM 0 H TRP A 111 61.821 30.027 -0.666 1.00 0.00 H new ATOM 0 HA TRP A 111 60.907 29.161 -3.298 1.00 0.00 H new ATOM 0 HB2 TRP A 111 63.044 27.977 -1.489 1.00 0.00 H new ATOM 0 HB3 TRP A 111 62.839 27.695 -3.206 1.00 0.00 H new ATOM 0 HD1 TRP A 111 65.204 29.377 -1.216 1.00 0.00 H new ATOM 0 HE1 TRP A 111 66.228 31.486 -2.311 1.00 0.00 H new ATOM 0 HE3 TRP A 111 61.693 30.114 -4.856 1.00 0.00 H new ATOM 0 HZ2 TRP A 111 65.587 33.200 -4.446 1.00 0.00 H new ATOM 0 HZ3 TRP A 111 61.966 32.018 -6.392 1.00 0.00 H new ATOM 0 HH2 TRP A 111 63.892 33.538 -6.192 1.00 0.00 H new ATOM 1809 N SER A 112 60.048 27.688 -0.572 1.00 0.00 N ATOM 1810 CA SER A 112 59.247 26.613 0.002 1.00 0.00 C ATOM 1811 C SER A 112 57.918 26.473 -0.735 1.00 0.00 C ATOM 1812 O SER A 112 57.670 27.159 -1.727 1.00 0.00 O ATOM 1813 CB SER A 112 58.994 26.874 1.488 1.00 0.00 C ATOM 1814 OG SER A 112 58.579 25.691 2.149 1.00 0.00 O ATOM 0 H SER A 112 60.282 28.435 0.082 1.00 0.00 H new ATOM 0 HA SER A 112 59.803 25.682 -0.106 1.00 0.00 H new ATOM 0 HB2 SER A 112 59.903 27.255 1.954 1.00 0.00 H new ATOM 0 HB3 SER A 112 58.231 27.644 1.601 1.00 0.00 H new ATOM 0 HG SER A 112 58.425 25.883 3.098 1.00 0.00 H new