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 129:sc= 1.28 USER MOD Single : A 48 HIS :FLIP no HD1:sc= -0.782 F(o=-1.5,f=-0.78) USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 LYS NZ :NH3+ -153:sc= -0.0925 (180deg=-0.569) 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+ 167:sc= 1.32 (180deg=1.1) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0192) USER MOD Single : A 79 THR OG1 : rot 62:sc= 1.3 USER MOD Single : A 82 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 83 THR OG1 : rot 71:sc= 0.225 USER MOD Single : A 85 SER OG : rot 151:sc= -0.38 USER MOD Single : A 89 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 90 GLN : amide:sc= -0.106 K(o=-0.11,f=-1.8!) USER MOD Single : A 98 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 108 GLN : amide:sc= -1.59 K(o=-1.6,f=-2.3) 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 81.891 30.639 11.079 1.00 0.00 N ATOM 527 CA PHE A 34 81.873 31.382 9.825 1.00 0.00 C ATOM 528 C PHE A 34 81.738 32.880 10.082 1.00 0.00 C ATOM 529 O PHE A 34 81.362 33.304 11.175 1.00 0.00 O ATOM 530 CB PHE A 34 80.722 30.900 8.939 1.00 0.00 C ATOM 531 CG PHE A 34 79.487 30.529 9.709 1.00 0.00 C ATOM 532 CD1 PHE A 34 78.888 31.440 10.564 1.00 0.00 C ATOM 533 CD2 PHE A 34 78.925 29.269 9.578 1.00 0.00 C ATOM 534 CE1 PHE A 34 77.752 31.102 11.274 1.00 0.00 C ATOM 535 CE2 PHE A 34 77.788 28.926 10.285 1.00 0.00 C ATOM 536 CZ PHE A 34 77.202 29.843 11.135 1.00 0.00 C ATOM 0 HA PHE A 34 82.818 31.203 9.312 1.00 0.00 H new ATOM 0 HB2 PHE A 34 80.473 31.683 8.223 1.00 0.00 H new ATOM 0 HB3 PHE A 34 81.055 30.036 8.363 1.00 0.00 H new ATOM 0 HD1 PHE A 34 79.314 32.426 10.677 1.00 0.00 H new ATOM 0 HD2 PHE A 34 79.380 28.547 8.916 1.00 0.00 H new ATOM 0 HE1 PHE A 34 77.295 31.822 11.937 1.00 0.00 H new ATOM 0 HE2 PHE A 34 77.358 27.942 10.173 1.00 0.00 H new ATOM 0 HZ PHE A 34 76.315 29.576 11.690 1.00 0.00 H new ATOM 546 N THR A 35 82.048 33.679 9.066 1.00 0.00 N ATOM 547 CA THR A 35 81.964 35.130 9.181 1.00 0.00 C ATOM 548 C THR A 35 80.746 35.670 8.441 1.00 0.00 C ATOM 549 O THR A 35 80.221 35.024 7.534 1.00 0.00 O ATOM 550 CB THR A 35 83.230 35.812 8.628 1.00 0.00 C ATOM 551 OG1 THR A 35 84.392 35.062 9.001 1.00 0.00 O ATOM 552 CG2 THR A 35 83.350 37.235 9.151 1.00 0.00 C ATOM 0 H THR A 35 82.360 33.346 8.154 1.00 0.00 H new ATOM 0 HA THR A 35 81.872 35.358 10.243 1.00 0.00 H new ATOM 0 HB THR A 35 83.153 35.846 7.541 1.00 0.00 H new ATOM 0 HG1 THR A 35 84.935 34.883 8.205 1.00 0.00 H new ATOM 0 HG21 THR A 35 84.251 37.696 8.747 1.00 0.00 H new ATOM 0 HG22 THR A 35 82.478 37.811 8.842 1.00 0.00 H new ATOM 0 HG23 THR A 35 83.407 37.219 10.239 1.00 0.00 H new ATOM 560 N VAL A 36 80.301 36.860 8.833 1.00 0.00 N ATOM 561 CA VAL A 36 79.145 37.489 8.205 1.00 0.00 C ATOM 562 C VAL A 36 79.299 37.533 6.689 1.00 0.00 C ATOM 563 O VAL A 36 78.328 37.373 5.951 1.00 0.00 O ATOM 564 CB VAL A 36 78.931 38.921 8.729 1.00 0.00 C ATOM 565 CG1 VAL A 36 80.190 39.754 8.538 1.00 0.00 C ATOM 566 CG2 VAL A 36 77.742 39.570 8.036 1.00 0.00 C ATOM 0 H VAL A 36 80.724 37.408 9.583 1.00 0.00 H new ATOM 0 HA VAL A 36 78.277 36.882 8.462 1.00 0.00 H new ATOM 0 HB VAL A 36 78.717 38.870 9.797 1.00 0.00 H new ATOM 0 HG11 VAL A 36 80.019 40.763 8.914 1.00 0.00 H new ATOM 0 HG12 VAL A 36 81.015 39.297 9.085 1.00 0.00 H new ATOM 0 HG13 VAL A 36 80.439 39.799 7.478 1.00 0.00 H new ATOM 0 HG21 VAL A 36 77.605 40.581 8.419 1.00 0.00 H new ATOM 0 HG22 VAL A 36 77.924 39.610 6.962 1.00 0.00 H new ATOM 0 HG23 VAL A 36 76.843 38.984 8.230 1.00 0.00 H new ATOM 576 N ALA A 37 80.528 37.749 6.230 1.00 0.00 N ATOM 577 CA ALA A 37 80.810 37.812 4.802 1.00 0.00 C ATOM 578 C ALA A 37 80.741 36.427 4.167 1.00 0.00 C ATOM 579 O ALA A 37 80.096 36.239 3.136 1.00 0.00 O ATOM 580 CB ALA A 37 82.177 38.436 4.561 1.00 0.00 C ATOM 0 H ALA A 37 81.344 37.883 6.827 1.00 0.00 H new ATOM 0 HA ALA A 37 80.049 38.437 4.334 1.00 0.00 H new ATOM 0 HB1 ALA A 37 82.375 38.477 3.490 1.00 0.00 H new ATOM 0 HB2 ALA A 37 82.194 39.446 4.972 1.00 0.00 H new ATOM 0 HB3 ALA A 37 82.943 37.833 5.049 1.00 0.00 H new ATOM 586 N GLU A 38 81.409 35.461 4.791 1.00 0.00 N ATOM 587 CA GLU A 38 81.423 34.093 4.285 1.00 0.00 C ATOM 588 C GLU A 38 80.007 33.529 4.204 1.00 0.00 C ATOM 589 O GLU A 38 79.630 32.908 3.210 1.00 0.00 O ATOM 590 CB GLU A 38 82.288 33.204 5.179 1.00 0.00 C ATOM 591 CG GLU A 38 83.779 33.348 4.922 1.00 0.00 C ATOM 592 CD GLU A 38 84.409 34.453 5.747 1.00 0.00 C ATOM 593 OE1 GLU A 38 84.132 35.637 5.463 1.00 0.00 O ATOM 594 OE2 GLU A 38 85.179 34.134 6.677 1.00 0.00 O ATOM 0 H GLU A 38 81.947 35.600 5.646 1.00 0.00 H new ATOM 0 HA GLU A 38 81.848 34.108 3.281 1.00 0.00 H new ATOM 0 HB2 GLU A 38 82.083 33.444 6.222 1.00 0.00 H new ATOM 0 HB3 GLU A 38 82.001 32.163 5.029 1.00 0.00 H new ATOM 0 HG2 GLU A 38 84.275 32.404 5.147 1.00 0.00 H new ATOM 0 HG3 GLU A 38 83.944 33.551 3.864 1.00 0.00 H new ATOM 601 N VAL A 39 79.228 33.748 5.258 1.00 0.00 N ATOM 602 CA VAL A 39 77.854 33.262 5.308 1.00 0.00 C ATOM 603 C VAL A 39 76.981 33.979 4.284 1.00 0.00 C ATOM 604 O VAL A 39 76.151 33.359 3.620 1.00 0.00 O ATOM 605 CB VAL A 39 77.243 33.449 6.709 1.00 0.00 C ATOM 606 CG1 VAL A 39 75.810 32.940 6.739 1.00 0.00 C ATOM 607 CG2 VAL A 39 78.089 32.743 7.757 1.00 0.00 C ATOM 0 H VAL A 39 79.525 34.259 6.089 1.00 0.00 H new ATOM 0 HA VAL A 39 77.885 32.198 5.073 1.00 0.00 H new ATOM 0 HB VAL A 39 77.230 34.514 6.941 1.00 0.00 H new ATOM 0 HG11 VAL A 39 75.395 33.080 7.737 1.00 0.00 H new ATOM 0 HG12 VAL A 39 75.212 33.494 6.016 1.00 0.00 H new ATOM 0 HG13 VAL A 39 75.795 31.880 6.486 1.00 0.00 H new ATOM 0 HG21 VAL A 39 77.643 32.885 8.741 1.00 0.00 H new ATOM 0 HG22 VAL A 39 78.135 31.678 7.530 1.00 0.00 H new ATOM 0 HG23 VAL A 39 79.097 33.159 7.752 1.00 0.00 H new ATOM 617 N GLU A 40 77.175 35.288 4.163 1.00 0.00 N ATOM 618 CA GLU A 40 76.403 36.090 3.220 1.00 0.00 C ATOM 619 C GLU A 40 76.540 35.543 1.802 1.00 0.00 C ATOM 620 O GLU A 40 75.546 35.351 1.100 1.00 0.00 O ATOM 621 CB GLU A 40 76.862 37.549 3.262 1.00 0.00 C ATOM 622 CG GLU A 40 76.104 38.397 4.269 1.00 0.00 C ATOM 623 CD GLU A 40 76.832 39.681 4.616 1.00 0.00 C ATOM 624 OE1 GLU A 40 77.932 39.905 4.069 1.00 0.00 O ATOM 625 OE2 GLU A 40 76.302 40.461 5.435 1.00 0.00 O ATOM 0 H GLU A 40 77.859 35.816 4.705 1.00 0.00 H new ATOM 0 HA GLU A 40 75.354 36.038 3.512 1.00 0.00 H new ATOM 0 HB2 GLU A 40 77.925 37.580 3.501 1.00 0.00 H new ATOM 0 HB3 GLU A 40 76.745 37.986 2.270 1.00 0.00 H new ATOM 0 HG2 GLU A 40 75.120 38.639 3.867 1.00 0.00 H new ATOM 0 HG3 GLU A 40 75.943 37.818 5.178 1.00 0.00 H new ATOM 632 N LEU A 41 77.777 35.295 1.386 1.00 0.00 N ATOM 633 CA LEU A 41 78.046 34.770 0.052 1.00 0.00 C ATOM 634 C LEU A 41 77.453 33.375 -0.114 1.00 0.00 C ATOM 635 O LEU A 41 76.781 33.088 -1.106 1.00 0.00 O ATOM 636 CB LEU A 41 79.553 34.731 -0.209 1.00 0.00 C ATOM 637 CG LEU A 41 80.321 36.016 0.103 1.00 0.00 C ATOM 638 CD1 LEU A 41 81.714 35.692 0.620 1.00 0.00 C ATOM 639 CD2 LEU A 41 80.401 36.903 -1.130 1.00 0.00 C ATOM 0 H LEU A 41 78.610 35.449 1.954 1.00 0.00 H new ATOM 0 HA LEU A 41 77.576 35.433 -0.674 1.00 0.00 H new ATOM 0 HB2 LEU A 41 79.983 33.922 0.381 1.00 0.00 H new ATOM 0 HB3 LEU A 41 79.714 34.481 -1.258 1.00 0.00 H new ATOM 0 HG LEU A 41 79.783 36.558 0.881 1.00 0.00 H new ATOM 0 HD11 LEU A 41 82.246 36.618 0.837 1.00 0.00 H new ATOM 0 HD12 LEU A 41 81.635 35.097 1.530 1.00 0.00 H new ATOM 0 HD13 LEU A 41 82.261 35.128 -0.136 1.00 0.00 H new ATOM 0 HD21 LEU A 41 80.951 37.813 -0.889 1.00 0.00 H new ATOM 0 HD22 LEU A 41 80.915 36.369 -1.929 1.00 0.00 H new ATOM 0 HD23 LEU A 41 79.394 37.164 -1.457 1.00 0.00 H new ATOM 651 N LEU A 42 77.705 32.511 0.863 1.00 0.00 N ATOM 652 CA LEU A 42 77.194 31.145 0.827 1.00 0.00 C ATOM 653 C LEU A 42 75.674 31.135 0.698 1.00 0.00 C ATOM 654 O LEU A 42 75.118 30.442 -0.153 1.00 0.00 O ATOM 655 CB LEU A 42 77.615 30.389 2.089 1.00 0.00 C ATOM 656 CG LEU A 42 76.579 29.426 2.671 1.00 0.00 C ATOM 657 CD1 LEU A 42 76.273 28.310 1.684 1.00 0.00 C ATOM 658 CD2 LEU A 42 77.069 28.852 3.993 1.00 0.00 C ATOM 0 H LEU A 42 78.260 32.732 1.690 1.00 0.00 H new ATOM 0 HA LEU A 42 77.617 30.648 -0.046 1.00 0.00 H new ATOM 0 HB2 LEU A 42 78.521 29.825 1.866 1.00 0.00 H new ATOM 0 HB3 LEU A 42 77.875 31.119 2.856 1.00 0.00 H new ATOM 0 HG LEU A 42 75.659 29.981 2.857 1.00 0.00 H new ATOM 0 HD11 LEU A 42 75.534 27.635 2.116 1.00 0.00 H new ATOM 0 HD12 LEU A 42 75.879 28.738 0.762 1.00 0.00 H new ATOM 0 HD13 LEU A 42 77.186 27.757 1.466 1.00 0.00 H new ATOM 0 HD21 LEU A 42 76.320 28.169 4.393 1.00 0.00 H new ATOM 0 HD22 LEU A 42 78.002 28.313 3.832 1.00 0.00 H new ATOM 0 HD23 LEU A 42 77.236 29.663 4.702 1.00 0.00 H new ATOM 670 N VAL A 43 75.008 31.911 1.547 1.00 0.00 N ATOM 671 CA VAL A 43 73.552 31.994 1.526 1.00 0.00 C ATOM 672 C VAL A 43 73.058 32.652 0.243 1.00 0.00 C ATOM 673 O VAL A 43 72.073 32.214 -0.351 1.00 0.00 O ATOM 674 CB VAL A 43 73.018 32.786 2.734 1.00 0.00 C ATOM 675 CG1 VAL A 43 71.504 32.917 2.660 1.00 0.00 C ATOM 676 CG2 VAL A 43 73.440 32.121 4.036 1.00 0.00 C ATOM 0 H VAL A 43 75.453 32.491 2.258 1.00 0.00 H new ATOM 0 HA VAL A 43 73.176 30.972 1.575 1.00 0.00 H new ATOM 0 HB VAL A 43 73.447 33.787 2.708 1.00 0.00 H new ATOM 0 HG11 VAL A 43 71.145 33.479 3.522 1.00 0.00 H new ATOM 0 HG12 VAL A 43 71.228 33.441 1.745 1.00 0.00 H new ATOM 0 HG13 VAL A 43 71.052 31.925 2.661 1.00 0.00 H new ATOM 0 HG21 VAL A 43 73.054 32.694 4.879 1.00 0.00 H new ATOM 0 HG22 VAL A 43 73.041 31.107 4.073 1.00 0.00 H new ATOM 0 HG23 VAL A 43 74.528 32.084 4.090 1.00 0.00 H new ATOM 686 N GLU A 44 73.750 33.705 -0.180 1.00 0.00 N ATOM 687 CA GLU A 44 73.380 34.423 -1.394 1.00 0.00 C ATOM 688 C GLU A 44 73.557 33.539 -2.625 1.00 0.00 C ATOM 689 O GLU A 44 72.867 33.709 -3.630 1.00 0.00 O ATOM 690 CB GLU A 44 74.223 35.692 -1.540 1.00 0.00 C ATOM 691 CG GLU A 44 73.876 36.517 -2.768 1.00 0.00 C ATOM 692 CD GLU A 44 72.632 37.361 -2.571 1.00 0.00 C ATOM 693 OE1 GLU A 44 71.778 36.975 -1.745 1.00 0.00 O ATOM 694 OE2 GLU A 44 72.512 38.407 -3.242 1.00 0.00 O ATOM 0 H GLU A 44 74.569 34.079 0.299 1.00 0.00 H new ATOM 0 HA GLU A 44 72.329 34.700 -1.315 1.00 0.00 H new ATOM 0 HB2 GLU A 44 74.093 36.308 -0.650 1.00 0.00 H new ATOM 0 HB3 GLU A 44 75.276 35.415 -1.585 1.00 0.00 H new ATOM 0 HG2 GLU A 44 74.716 37.167 -3.014 1.00 0.00 H new ATOM 0 HG3 GLU A 44 73.728 35.851 -3.618 1.00 0.00 H new ATOM 701 N ALA A 45 74.488 32.594 -2.538 1.00 0.00 N ATOM 702 CA ALA A 45 74.755 31.681 -3.643 1.00 0.00 C ATOM 703 C ALA A 45 73.649 30.640 -3.775 1.00 0.00 C ATOM 704 O ALA A 45 73.127 30.408 -4.865 1.00 0.00 O ATOM 705 CB ALA A 45 76.103 31.001 -3.452 1.00 0.00 C ATOM 0 H ALA A 45 75.070 32.441 -1.714 1.00 0.00 H new ATOM 0 HA ALA A 45 74.781 32.263 -4.564 1.00 0.00 H new ATOM 0 HB1 ALA A 45 76.289 30.322 -4.284 1.00 0.00 H new ATOM 0 HB2 ALA A 45 76.889 31.755 -3.416 1.00 0.00 H new ATOM 0 HB3 ALA A 45 76.097 30.438 -2.519 1.00 0.00 H new ATOM 711 N VAL A 46 73.296 30.013 -2.657 1.00 0.00 N ATOM 712 CA VAL A 46 72.251 28.996 -2.647 1.00 0.00 C ATOM 713 C VAL A 46 70.872 29.624 -2.809 1.00 0.00 C ATOM 714 O VAL A 46 69.979 29.035 -3.418 1.00 0.00 O ATOM 715 CB VAL A 46 72.280 28.174 -1.345 1.00 0.00 C ATOM 716 CG1 VAL A 46 72.124 29.084 -0.136 1.00 0.00 C ATOM 717 CG2 VAL A 46 71.195 27.108 -1.364 1.00 0.00 C ATOM 0 H VAL A 46 73.719 30.192 -1.746 1.00 0.00 H new ATOM 0 HA VAL A 46 72.446 28.333 -3.490 1.00 0.00 H new ATOM 0 HB VAL A 46 73.246 27.675 -1.272 1.00 0.00 H new ATOM 0 HG11 VAL A 46 72.147 28.486 0.775 1.00 0.00 H new ATOM 0 HG12 VAL A 46 72.940 29.806 -0.116 1.00 0.00 H new ATOM 0 HG13 VAL A 46 71.173 29.613 -0.199 1.00 0.00 H new ATOM 0 HG21 VAL A 46 71.230 26.537 -0.436 1.00 0.00 H new ATOM 0 HG22 VAL A 46 70.219 27.584 -1.460 1.00 0.00 H new ATOM 0 HG23 VAL A 46 71.357 26.439 -2.209 1.00 0.00 H new ATOM 727 N GLU A 47 70.705 30.823 -2.260 1.00 0.00 N ATOM 728 CA GLU A 47 69.433 31.531 -2.344 1.00 0.00 C ATOM 729 C GLU A 47 69.178 32.025 -3.765 1.00 0.00 C ATOM 730 O GLU A 47 68.087 31.852 -4.308 1.00 0.00 O ATOM 731 CB GLU A 47 69.416 32.711 -1.371 1.00 0.00 C ATOM 732 CG GLU A 47 68.143 33.538 -1.439 1.00 0.00 C ATOM 733 CD GLU A 47 68.101 34.632 -0.390 1.00 0.00 C ATOM 734 OE1 GLU A 47 68.399 34.339 0.786 1.00 0.00 O ATOM 735 OE2 GLU A 47 67.769 35.782 -0.747 1.00 0.00 O ATOM 0 H GLU A 47 71.434 31.324 -1.753 1.00 0.00 H new ATOM 0 HA GLU A 47 68.640 30.834 -2.073 1.00 0.00 H new ATOM 0 HB2 GLU A 47 69.541 32.335 -0.355 1.00 0.00 H new ATOM 0 HB3 GLU A 47 70.270 33.356 -1.580 1.00 0.00 H new ATOM 0 HG2 GLU A 47 68.058 33.986 -2.429 1.00 0.00 H new ATOM 0 HG3 GLU A 47 67.281 32.883 -1.310 1.00 0.00 H new ATOM 742 N HIS A 48 70.193 32.643 -4.362 1.00 0.00 N ATOM 743 CA HIS A 48 70.080 33.163 -5.720 1.00 0.00 C ATOM 744 C HIS A 48 69.547 32.093 -6.668 1.00 0.00 C ATOM 745 O HIS A 48 68.859 32.400 -7.643 1.00 0.00 O ATOM 746 CB HIS A 48 71.437 33.666 -6.211 1.00 0.00 C ATOM 747 CG HIS A 48 71.389 34.289 -7.572 1.00 0.00 C ATOM 748 ND1 HIS A 48 71.224 33.732 -8.795 1.00 0.00 N flip ATOM 749 CD2 HIS A 48 71.520 35.645 -7.784 1.00 0.00 C flip ATOM 750 CE1 HIS A 48 71.257 34.752 -9.714 1.00 0.00 C flip ATOM 751 NE2 HIS A 48 71.436 35.896 -9.078 1.00 0.00 N flip ATOM 0 H HIS A 48 71.103 32.796 -3.926 1.00 0.00 H new ATOM 0 HA HIS A 48 69.376 33.995 -5.707 1.00 0.00 H new ATOM 0 HB2 HIS A 48 71.823 34.396 -5.500 1.00 0.00 H new ATOM 0 HB3 HIS A 48 72.140 32.833 -6.226 1.00 0.00 H new ATOM 0 HD2 HIS A 48 71.668 36.386 -7.013 1.00 0.00 H new ATOM 0 HE1 HIS A 48 71.153 34.638 -10.783 1.00 0.00 H new ATOM 0 HE2 HIS A 48 71.499 36.817 -9.512 1.00 0.00 H new ATOM 759 N LEU A 49 69.869 30.838 -6.378 1.00 0.00 N ATOM 760 CA LEU A 49 69.423 29.722 -7.205 1.00 0.00 C ATOM 761 C LEU A 49 68.235 29.011 -6.567 1.00 0.00 C ATOM 762 O LEU A 49 67.538 28.235 -7.220 1.00 0.00 O ATOM 763 CB LEU A 49 70.569 28.732 -7.421 1.00 0.00 C ATOM 764 CG LEU A 49 71.913 29.338 -7.826 1.00 0.00 C ATOM 765 CD1 LEU A 49 73.054 28.402 -7.458 1.00 0.00 C ATOM 766 CD2 LEU A 49 71.932 29.644 -9.317 1.00 0.00 C ATOM 0 H LEU A 49 70.438 30.567 -5.576 1.00 0.00 H new ATOM 0 HA LEU A 49 69.108 30.120 -8.170 1.00 0.00 H new ATOM 0 HB2 LEU A 49 70.711 28.166 -6.501 1.00 0.00 H new ATOM 0 HB3 LEU A 49 70.268 28.021 -8.190 1.00 0.00 H new ATOM 0 HG LEU A 49 72.047 30.272 -7.281 1.00 0.00 H new ATOM 0 HD11 LEU A 49 74.002 28.850 -7.754 1.00 0.00 H new ATOM 0 HD12 LEU A 49 73.053 28.233 -6.381 1.00 0.00 H new ATOM 0 HD13 LEU A 49 72.925 27.451 -7.975 1.00 0.00 H new ATOM 0 HD21 LEU A 49 72.896 30.075 -9.588 1.00 0.00 H new ATOM 0 HD22 LEU A 49 71.775 28.724 -9.879 1.00 0.00 H new ATOM 0 HD23 LEU A 49 71.139 30.353 -9.553 1.00 0.00 H new ATOM 778 N GLY A 50 68.007 29.284 -5.285 1.00 0.00 N ATOM 779 CA GLY A 50 66.900 28.664 -4.580 1.00 0.00 C ATOM 780 C GLY A 50 67.160 27.205 -4.263 1.00 0.00 C ATOM 781 O GLY A 50 68.001 26.884 -3.422 1.00 0.00 O ATOM 0 H GLY A 50 68.569 29.923 -4.723 1.00 0.00 H new ATOM 0 HA2 GLY A 50 66.714 29.207 -3.653 1.00 0.00 H new ATOM 0 HA3 GLY A 50 65.997 28.746 -5.184 1.00 0.00 H new ATOM 785 N THR A 51 66.435 26.316 -4.935 1.00 0.00 N ATOM 786 CA THR A 51 66.589 24.883 -4.718 1.00 0.00 C ATOM 787 C THR A 51 67.070 24.184 -5.984 1.00 0.00 C ATOM 788 O THR A 51 66.274 23.619 -6.733 1.00 0.00 O ATOM 789 CB THR A 51 65.267 24.239 -4.259 1.00 0.00 C ATOM 790 OG1 THR A 51 65.375 22.812 -4.306 1.00 0.00 O ATOM 791 CG2 THR A 51 64.111 24.694 -5.137 1.00 0.00 C ATOM 0 H THR A 51 65.735 26.564 -5.634 1.00 0.00 H new ATOM 0 HA THR A 51 67.335 24.760 -3.933 1.00 0.00 H new ATOM 0 HB THR A 51 65.071 24.554 -3.234 1.00 0.00 H new ATOM 0 HG1 THR A 51 64.531 22.410 -4.011 1.00 0.00 H new ATOM 0 HG21 THR A 51 63.188 24.227 -4.794 1.00 0.00 H new ATOM 0 HG22 THR A 51 64.013 25.778 -5.077 1.00 0.00 H new ATOM 0 HG23 THR A 51 64.303 24.404 -6.170 1.00 0.00 H new ATOM 799 N GLY A 52 68.378 24.224 -6.217 1.00 0.00 N ATOM 800 CA GLY A 52 68.942 23.590 -7.394 1.00 0.00 C ATOM 801 C GLY A 52 70.237 22.861 -7.095 1.00 0.00 C ATOM 802 O GLY A 52 70.563 22.610 -5.935 1.00 0.00 O ATOM 0 H GLY A 52 69.057 24.684 -5.611 1.00 0.00 H new ATOM 0 HA2 GLY A 52 68.219 22.886 -7.805 1.00 0.00 H new ATOM 0 HA3 GLY A 52 69.122 24.345 -8.159 1.00 0.00 H new ATOM 806 N ARG A 53 70.978 22.519 -8.145 1.00 0.00 N ATOM 807 CA ARG A 53 72.243 21.812 -7.989 1.00 0.00 C ATOM 808 C ARG A 53 73.149 22.532 -6.995 1.00 0.00 C ATOM 809 O ARG A 53 73.123 23.758 -6.891 1.00 0.00 O ATOM 810 CB ARG A 53 72.950 21.685 -9.340 1.00 0.00 C ATOM 811 CG ARG A 53 72.201 20.819 -10.340 1.00 0.00 C ATOM 812 CD ARG A 53 72.294 19.344 -9.980 1.00 0.00 C ATOM 813 NE ARG A 53 71.441 18.519 -10.830 1.00 0.00 N ATOM 814 CZ ARG A 53 70.116 18.491 -10.736 1.00 0.00 C ATOM 815 NH1 ARG A 53 69.497 19.239 -9.833 1.00 0.00 N ATOM 816 NH2 ARG A 53 69.408 17.713 -11.545 1.00 0.00 N ATOM 0 H ARG A 53 70.724 22.720 -9.112 1.00 0.00 H new ATOM 0 HA ARG A 53 72.029 20.815 -7.603 1.00 0.00 H new ATOM 0 HB2 ARG A 53 73.086 22.680 -9.764 1.00 0.00 H new ATOM 0 HB3 ARG A 53 73.944 21.267 -9.182 1.00 0.00 H new ATOM 0 HG2 ARG A 53 71.154 21.121 -10.372 1.00 0.00 H new ATOM 0 HG3 ARG A 53 72.610 20.977 -11.338 1.00 0.00 H new ATOM 0 HD2 ARG A 53 73.328 19.013 -10.073 1.00 0.00 H new ATOM 0 HD3 ARG A 53 72.008 19.207 -8.937 1.00 0.00 H new ATOM 0 HE ARG A 53 71.887 17.932 -11.535 1.00 0.00 H new ATOM 0 HH11 ARG A 53 70.038 19.837 -9.209 1.00 0.00 H new ATOM 0 HH12 ARG A 53 68.480 19.216 -9.762 1.00 0.00 H new ATOM 0 HH21 ARG A 53 69.881 17.135 -12.240 1.00 0.00 H new ATOM 0 HH22 ARG A 53 68.391 17.693 -11.472 1.00 0.00 H new ATOM 830 N TRP A 54 73.949 21.762 -6.266 1.00 0.00 N ATOM 831 CA TRP A 54 74.863 22.326 -5.280 1.00 0.00 C ATOM 832 C TRP A 54 76.022 23.046 -5.961 1.00 0.00 C ATOM 833 O TRP A 54 76.433 24.124 -5.531 1.00 0.00 O ATOM 834 CB TRP A 54 75.399 21.226 -4.362 1.00 0.00 C ATOM 835 CG TRP A 54 74.369 20.196 -4.006 1.00 0.00 C ATOM 836 CD1 TRP A 54 74.558 18.847 -3.914 1.00 0.00 C ATOM 837 CD2 TRP A 54 72.992 20.433 -3.696 1.00 0.00 C ATOM 838 NE1 TRP A 54 73.380 18.230 -3.566 1.00 0.00 N ATOM 839 CE2 TRP A 54 72.405 19.182 -3.426 1.00 0.00 C ATOM 840 CE3 TRP A 54 72.198 21.581 -3.619 1.00 0.00 C ATOM 841 CZ2 TRP A 54 71.061 19.048 -3.085 1.00 0.00 C ATOM 842 CZ3 TRP A 54 70.864 21.446 -3.282 1.00 0.00 C ATOM 843 CH2 TRP A 54 70.307 20.188 -3.017 1.00 0.00 C ATOM 0 H TRP A 54 73.983 20.745 -6.339 1.00 0.00 H new ATOM 0 HA TRP A 54 74.310 23.051 -4.682 1.00 0.00 H new ATOM 0 HB2 TRP A 54 76.241 20.734 -4.849 1.00 0.00 H new ATOM 0 HB3 TRP A 54 75.780 21.680 -3.447 1.00 0.00 H new ATOM 0 HD1 TRP A 54 75.495 18.339 -4.089 1.00 0.00 H new ATOM 0 HE1 TRP A 54 73.253 17.227 -3.434 1.00 0.00 H new ATOM 0 HE3 TRP A 54 72.619 22.555 -3.819 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 70.630 18.079 -2.882 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 70.240 22.326 -3.222 1.00 0.00 H new ATOM 0 HH2 TRP A 54 69.262 20.117 -2.754 1.00 0.00 H new ATOM 854 N ARG A 55 76.544 22.444 -7.024 1.00 0.00 N ATOM 855 CA ARG A 55 77.657 23.028 -7.764 1.00 0.00 C ATOM 856 C ARG A 55 77.322 24.446 -8.219 1.00 0.00 C ATOM 857 O ARG A 55 78.210 25.285 -8.374 1.00 0.00 O ATOM 858 CB ARG A 55 78.004 22.161 -8.975 1.00 0.00 C ATOM 859 CG ARG A 55 76.861 22.014 -9.966 1.00 0.00 C ATOM 860 CD ARG A 55 77.209 21.034 -11.076 1.00 0.00 C ATOM 861 NE ARG A 55 76.824 19.666 -10.739 1.00 0.00 N ATOM 862 CZ ARG A 55 77.338 18.592 -11.327 1.00 0.00 C ATOM 863 NH1 ARG A 55 78.256 18.726 -12.275 1.00 0.00 N ATOM 864 NH2 ARG A 55 76.936 17.380 -10.966 1.00 0.00 N ATOM 0 H ARG A 55 76.214 21.552 -7.393 1.00 0.00 H new ATOM 0 HA ARG A 55 78.520 23.072 -7.099 1.00 0.00 H new ATOM 0 HB2 ARG A 55 78.864 22.594 -9.487 1.00 0.00 H new ATOM 0 HB3 ARG A 55 78.303 21.172 -8.629 1.00 0.00 H new ATOM 0 HG2 ARG A 55 75.967 21.672 -9.444 1.00 0.00 H new ATOM 0 HG3 ARG A 55 76.625 22.986 -10.398 1.00 0.00 H new ATOM 0 HD2 ARG A 55 76.708 21.335 -11.996 1.00 0.00 H new ATOM 0 HD3 ARG A 55 78.281 21.072 -11.270 1.00 0.00 H new ATOM 0 HE ARG A 55 76.122 19.528 -10.012 1.00 0.00 H new ATOM 0 HH11 ARG A 55 78.569 19.656 -12.554 1.00 0.00 H new ATOM 0 HH12 ARG A 55 78.649 17.899 -12.725 1.00 0.00 H new ATOM 0 HH21 ARG A 55 76.232 17.273 -10.236 1.00 0.00 H new ATOM 0 HH22 ARG A 55 77.331 16.556 -11.418 1.00 0.00 H new ATOM 878 N ASP A 56 76.037 24.705 -8.433 1.00 0.00 N ATOM 879 CA ASP A 56 75.584 26.020 -8.870 1.00 0.00 C ATOM 880 C ASP A 56 75.841 27.069 -7.793 1.00 0.00 C ATOM 881 O ASP A 56 76.318 28.167 -8.081 1.00 0.00 O ATOM 882 CB ASP A 56 74.095 25.982 -9.218 1.00 0.00 C ATOM 883 CG ASP A 56 73.790 25.023 -10.351 1.00 0.00 C ATOM 884 OD1 ASP A 56 74.738 24.399 -10.873 1.00 0.00 O ATOM 885 OD2 ASP A 56 72.603 24.894 -10.716 1.00 0.00 O ATOM 0 H ASP A 56 75.290 24.021 -8.311 1.00 0.00 H new ATOM 0 HA ASP A 56 76.150 26.294 -9.761 1.00 0.00 H new ATOM 0 HB2 ASP A 56 73.526 25.690 -8.335 1.00 0.00 H new ATOM 0 HB3 ASP A 56 73.764 26.983 -9.494 1.00 0.00 H new ATOM 890 N VAL A 57 75.520 26.724 -6.550 1.00 0.00 N ATOM 891 CA VAL A 57 75.716 27.636 -5.428 1.00 0.00 C ATOM 892 C VAL A 57 77.195 27.786 -5.094 1.00 0.00 C ATOM 893 O VAL A 57 77.621 28.808 -4.556 1.00 0.00 O ATOM 894 CB VAL A 57 74.963 27.152 -4.174 1.00 0.00 C ATOM 895 CG1 VAL A 57 73.722 26.365 -4.566 1.00 0.00 C ATOM 896 CG2 VAL A 57 75.879 26.316 -3.293 1.00 0.00 C ATOM 0 H VAL A 57 75.123 25.820 -6.294 1.00 0.00 H new ATOM 0 HA VAL A 57 75.316 28.603 -5.732 1.00 0.00 H new ATOM 0 HB VAL A 57 74.644 28.024 -3.603 1.00 0.00 H new ATOM 0 HG11 VAL A 57 73.204 26.032 -3.667 1.00 0.00 H new ATOM 0 HG12 VAL A 57 73.059 27.000 -5.153 1.00 0.00 H new ATOM 0 HG13 VAL A 57 74.013 25.498 -5.159 1.00 0.00 H new ATOM 0 HG21 VAL A 57 75.331 25.982 -2.412 1.00 0.00 H new ATOM 0 HG22 VAL A 57 76.230 25.449 -3.852 1.00 0.00 H new ATOM 0 HG23 VAL A 57 76.734 26.917 -2.983 1.00 0.00 H new ATOM 906 N LYS A 58 77.976 26.760 -5.415 1.00 0.00 N ATOM 907 CA LYS A 58 79.410 26.777 -5.151 1.00 0.00 C ATOM 908 C LYS A 58 80.117 27.787 -6.049 1.00 0.00 C ATOM 909 O LYS A 58 80.931 28.583 -5.583 1.00 0.00 O ATOM 910 CB LYS A 58 80.005 25.383 -5.366 1.00 0.00 C ATOM 911 CG LYS A 58 81.524 25.363 -5.359 1.00 0.00 C ATOM 912 CD LYS A 58 82.062 24.140 -4.635 1.00 0.00 C ATOM 913 CE LYS A 58 83.422 23.726 -5.175 1.00 0.00 C ATOM 914 NZ LYS A 58 83.344 23.284 -6.595 1.00 0.00 N ATOM 0 H LYS A 58 77.640 25.905 -5.859 1.00 0.00 H new ATOM 0 HA LYS A 58 79.560 27.074 -4.113 1.00 0.00 H new ATOM 0 HB2 LYS A 58 79.637 24.716 -4.586 1.00 0.00 H new ATOM 0 HB3 LYS A 58 79.649 24.988 -6.317 1.00 0.00 H new ATOM 0 HG2 LYS A 58 81.894 25.372 -6.384 1.00 0.00 H new ATOM 0 HG3 LYS A 58 81.899 26.266 -4.877 1.00 0.00 H new ATOM 0 HD2 LYS A 58 82.142 24.353 -3.569 1.00 0.00 H new ATOM 0 HD3 LYS A 58 81.360 23.314 -4.743 1.00 0.00 H new ATOM 0 HE2 LYS A 58 84.115 24.563 -5.093 1.00 0.00 H new ATOM 0 HE3 LYS A 58 83.824 22.918 -4.565 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 84.112 22.611 -6.792 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 82.427 22.823 -6.765 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 83.438 24.109 -7.221 1.00 0.00 H new ATOM 928 N PHE A 59 79.799 27.749 -7.339 1.00 0.00 N ATOM 929 CA PHE A 59 80.403 28.662 -8.303 1.00 0.00 C ATOM 930 C PHE A 59 79.859 30.077 -8.127 1.00 0.00 C ATOM 931 O PHE A 59 80.579 31.058 -8.316 1.00 0.00 O ATOM 932 CB PHE A 59 80.142 28.177 -9.730 1.00 0.00 C ATOM 933 CG PHE A 59 80.632 26.781 -9.988 1.00 0.00 C ATOM 934 CD1 PHE A 59 81.874 26.372 -9.529 1.00 0.00 C ATOM 935 CD2 PHE A 59 79.851 25.877 -10.690 1.00 0.00 C ATOM 936 CE1 PHE A 59 82.327 25.088 -9.764 1.00 0.00 C ATOM 937 CE2 PHE A 59 80.299 24.591 -10.927 1.00 0.00 C ATOM 938 CZ PHE A 59 81.539 24.197 -10.465 1.00 0.00 C ATOM 0 H PHE A 59 79.127 27.096 -7.741 1.00 0.00 H new ATOM 0 HA PHE A 59 81.478 28.680 -8.124 1.00 0.00 H new ATOM 0 HB2 PHE A 59 79.071 28.220 -9.930 1.00 0.00 H new ATOM 0 HB3 PHE A 59 80.625 28.858 -10.431 1.00 0.00 H new ATOM 0 HD1 PHE A 59 82.495 27.065 -8.981 1.00 0.00 H new ATOM 0 HD2 PHE A 59 78.881 26.181 -11.056 1.00 0.00 H new ATOM 0 HE1 PHE A 59 83.296 24.782 -9.400 1.00 0.00 H new ATOM 0 HE2 PHE A 59 79.680 23.895 -11.473 1.00 0.00 H new ATOM 0 HZ PHE A 59 81.892 23.194 -10.652 1.00 0.00 H new ATOM 948 N ARG A 60 78.584 30.173 -7.764 1.00 0.00 N ATOM 949 CA ARG A 60 77.943 31.467 -7.565 1.00 0.00 C ATOM 950 C ARG A 60 78.368 32.085 -6.236 1.00 0.00 C ATOM 951 O ARG A 60 78.330 33.304 -6.067 1.00 0.00 O ATOM 952 CB ARG A 60 76.421 31.317 -7.606 1.00 0.00 C ATOM 953 CG ARG A 60 75.675 32.628 -7.420 1.00 0.00 C ATOM 954 CD ARG A 60 74.359 32.633 -8.182 1.00 0.00 C ATOM 955 NE ARG A 60 74.556 32.439 -9.616 1.00 0.00 N ATOM 956 CZ ARG A 60 74.986 33.392 -10.435 1.00 0.00 C ATOM 957 NH1 ARG A 60 75.263 34.600 -9.963 1.00 0.00 N ATOM 958 NH2 ARG A 60 75.140 33.138 -11.728 1.00 0.00 N ATOM 0 H ARG A 60 77.975 29.371 -7.602 1.00 0.00 H new ATOM 0 HA ARG A 60 78.258 32.129 -8.372 1.00 0.00 H new ATOM 0 HB2 ARG A 60 76.133 30.877 -8.561 1.00 0.00 H new ATOM 0 HB3 ARG A 60 76.112 30.619 -6.828 1.00 0.00 H new ATOM 0 HG2 ARG A 60 75.483 32.791 -6.360 1.00 0.00 H new ATOM 0 HG3 ARG A 60 76.298 33.454 -7.762 1.00 0.00 H new ATOM 0 HD2 ARG A 60 73.713 31.845 -7.795 1.00 0.00 H new ATOM 0 HD3 ARG A 60 73.845 33.579 -8.011 1.00 0.00 H new ATOM 0 HE ARG A 60 74.352 31.521 -10.010 1.00 0.00 H new ATOM 0 HH11 ARG A 60 75.146 34.798 -8.969 1.00 0.00 H new ATOM 0 HH12 ARG A 60 75.593 35.331 -10.594 1.00 0.00 H new ATOM 0 HH21 ARG A 60 74.928 32.210 -12.094 1.00 0.00 H new ATOM 0 HH22 ARG A 60 75.470 33.871 -12.356 1.00 0.00 H new ATOM 972 N ALA A 61 78.771 31.236 -5.296 1.00 0.00 N ATOM 973 CA ALA A 61 79.204 31.699 -3.983 1.00 0.00 C ATOM 974 C ALA A 61 80.535 32.438 -4.073 1.00 0.00 C ATOM 975 O ALA A 61 80.589 33.660 -3.932 1.00 0.00 O ATOM 976 CB ALA A 61 79.313 30.526 -3.020 1.00 0.00 C ATOM 0 H ALA A 61 78.807 30.224 -5.419 1.00 0.00 H new ATOM 0 HA ALA A 61 78.456 32.397 -3.606 1.00 0.00 H new ATOM 0 HB1 ALA A 61 79.637 30.886 -2.044 1.00 0.00 H new ATOM 0 HB2 ALA A 61 78.341 30.042 -2.924 1.00 0.00 H new ATOM 0 HB3 ALA A 61 80.039 29.808 -3.402 1.00 0.00 H new ATOM 982 N PHE A 62 81.607 31.689 -4.309 1.00 0.00 N ATOM 983 CA PHE A 62 82.939 32.274 -4.415 1.00 0.00 C ATOM 984 C PHE A 62 83.935 31.260 -4.972 1.00 0.00 C ATOM 985 O PHE A 62 84.412 30.385 -4.252 1.00 0.00 O ATOM 986 CB PHE A 62 83.412 32.771 -3.048 1.00 0.00 C ATOM 987 CG PHE A 62 82.870 31.971 -1.898 1.00 0.00 C ATOM 988 CD1 PHE A 62 83.495 30.802 -1.495 1.00 0.00 C ATOM 989 CD2 PHE A 62 81.735 32.388 -1.221 1.00 0.00 C ATOM 990 CE1 PHE A 62 82.999 30.063 -0.438 1.00 0.00 C ATOM 991 CE2 PHE A 62 81.235 31.653 -0.163 1.00 0.00 C ATOM 992 CZ PHE A 62 81.866 30.489 0.229 1.00 0.00 C ATOM 0 H PHE A 62 81.580 30.677 -4.430 1.00 0.00 H new ATOM 0 HA PHE A 62 82.884 33.119 -5.101 1.00 0.00 H new ATOM 0 HB2 PHE A 62 84.501 32.744 -3.018 1.00 0.00 H new ATOM 0 HB3 PHE A 62 83.116 33.813 -2.927 1.00 0.00 H new ATOM 0 HD1 PHE A 62 84.380 30.464 -2.013 1.00 0.00 H new ATOM 0 HD2 PHE A 62 81.236 33.297 -1.523 1.00 0.00 H new ATOM 0 HE1 PHE A 62 83.496 29.154 -0.134 1.00 0.00 H new ATOM 0 HE2 PHE A 62 80.350 31.989 0.357 1.00 0.00 H new ATOM 0 HZ PHE A 62 81.475 29.913 1.055 1.00 0.00 H new ATOM 1002 N GLU A 63 84.241 31.387 -6.260 1.00 0.00 N ATOM 1003 CA GLU A 63 85.178 30.481 -6.914 1.00 0.00 C ATOM 1004 C GLU A 63 86.617 30.817 -6.531 1.00 0.00 C ATOM 1005 O GLU A 63 87.552 30.116 -6.914 1.00 0.00 O ATOM 1006 CB GLU A 63 85.014 30.551 -8.433 1.00 0.00 C ATOM 1007 CG GLU A 63 85.879 29.554 -9.186 1.00 0.00 C ATOM 1008 CD GLU A 63 85.373 29.287 -10.590 1.00 0.00 C ATOM 1009 OE1 GLU A 63 85.207 30.259 -11.356 1.00 0.00 O ATOM 1010 OE2 GLU A 63 85.144 28.105 -10.924 1.00 0.00 O ATOM 0 H GLU A 63 83.854 32.107 -6.870 1.00 0.00 H new ATOM 0 HA GLU A 63 84.958 29.468 -6.578 1.00 0.00 H new ATOM 0 HB2 GLU A 63 83.968 30.375 -8.685 1.00 0.00 H new ATOM 0 HB3 GLU A 63 85.258 31.558 -8.770 1.00 0.00 H new ATOM 0 HG2 GLU A 63 86.900 29.931 -9.237 1.00 0.00 H new ATOM 0 HG3 GLU A 63 85.913 28.616 -8.631 1.00 0.00 H new ATOM 1081 N ARG A 68 86.039 25.140 0.662 1.00 0.00 N ATOM 1082 CA ARG A 68 84.604 24.900 0.769 1.00 0.00 C ATOM 1083 C ARG A 68 84.116 24.009 -0.369 1.00 0.00 C ATOM 1084 O ARG A 68 84.691 24.003 -1.458 1.00 0.00 O ATOM 1085 CB ARG A 68 83.841 26.226 0.756 1.00 0.00 C ATOM 1086 CG ARG A 68 83.400 26.688 2.136 1.00 0.00 C ATOM 1087 CD ARG A 68 84.381 27.688 2.728 1.00 0.00 C ATOM 1088 NE ARG A 68 83.964 29.068 2.496 1.00 0.00 N ATOM 1089 CZ ARG A 68 84.689 30.124 2.848 1.00 0.00 C ATOM 1090 NH1 ARG A 68 85.860 29.958 3.446 1.00 0.00 N ATOM 1091 NH2 ARG A 68 84.242 31.349 2.603 1.00 0.00 N ATOM 0 HA ARG A 68 84.416 24.390 1.714 1.00 0.00 H new ATOM 0 HB2 ARG A 68 84.472 26.994 0.309 1.00 0.00 H new ATOM 0 HB3 ARG A 68 82.963 26.124 0.118 1.00 0.00 H new ATOM 0 HG2 ARG A 68 82.411 27.142 2.070 1.00 0.00 H new ATOM 0 HG3 ARG A 68 83.312 25.827 2.798 1.00 0.00 H new ATOM 0 HD2 ARG A 68 84.474 27.513 3.800 1.00 0.00 H new ATOM 0 HD3 ARG A 68 85.367 27.529 2.292 1.00 0.00 H new ATOM 0 HE ARG A 68 83.067 29.230 2.039 1.00 0.00 H new ATOM 0 HH11 ARG A 68 86.206 29.018 3.637 1.00 0.00 H new ATOM 0 HH12 ARG A 68 86.415 30.770 3.715 1.00 0.00 H new ATOM 0 HH21 ARG A 68 83.341 31.481 2.144 1.00 0.00 H new ATOM 0 HH22 ARG A 68 84.800 32.159 2.874 1.00 0.00 H new ATOM 1105 N THR A 69 83.052 23.256 -0.110 1.00 0.00 N ATOM 1106 CA THR A 69 82.487 22.360 -1.111 1.00 0.00 C ATOM 1107 C THR A 69 81.015 22.669 -1.357 1.00 0.00 C ATOM 1108 O THR A 69 80.301 23.103 -0.452 1.00 0.00 O ATOM 1109 CB THR A 69 82.626 20.886 -0.688 1.00 0.00 C ATOM 1110 OG1 THR A 69 83.923 20.658 -0.125 1.00 0.00 O ATOM 1111 CG2 THR A 69 82.414 19.959 -1.876 1.00 0.00 C ATOM 0 H THR A 69 82.564 23.249 0.786 1.00 0.00 H new ATOM 0 HA THR A 69 83.048 22.521 -2.031 1.00 0.00 H new ATOM 0 HB THR A 69 81.862 20.673 0.060 1.00 0.00 H new ATOM 0 HG1 THR A 69 84.003 19.719 0.143 1.00 0.00 H new ATOM 0 HG21 THR A 69 82.517 18.923 -1.552 1.00 0.00 H new ATOM 0 HG22 THR A 69 81.415 20.114 -2.285 1.00 0.00 H new ATOM 0 HG23 THR A 69 83.157 20.175 -2.643 1.00 0.00 H new ATOM 1119 N TYR A 70 80.565 22.443 -2.587 1.00 0.00 N ATOM 1120 CA TYR A 70 79.177 22.698 -2.952 1.00 0.00 C ATOM 1121 C TYR A 70 78.222 22.058 -1.950 1.00 0.00 C ATOM 1122 O TYR A 70 77.235 22.667 -1.538 1.00 0.00 O ATOM 1123 CB TYR A 70 78.891 22.166 -4.358 1.00 0.00 C ATOM 1124 CG TYR A 70 79.423 20.771 -4.596 1.00 0.00 C ATOM 1125 CD1 TYR A 70 78.662 19.653 -4.277 1.00 0.00 C ATOM 1126 CD2 TYR A 70 80.686 20.570 -5.139 1.00 0.00 C ATOM 1127 CE1 TYR A 70 79.143 18.376 -4.493 1.00 0.00 C ATOM 1128 CE2 TYR A 70 81.175 19.297 -5.359 1.00 0.00 C ATOM 1129 CZ TYR A 70 80.400 18.203 -5.034 1.00 0.00 C ATOM 1130 OH TYR A 70 80.884 16.933 -5.250 1.00 0.00 O ATOM 0 H TYR A 70 81.142 22.084 -3.348 1.00 0.00 H new ATOM 0 HA TYR A 70 79.018 23.776 -2.939 1.00 0.00 H new ATOM 0 HB2 TYR A 70 77.814 22.169 -4.527 1.00 0.00 H new ATOM 0 HB3 TYR A 70 79.330 22.843 -5.090 1.00 0.00 H new ATOM 0 HD1 TYR A 70 77.678 19.785 -3.853 1.00 0.00 H new ATOM 0 HD2 TYR A 70 81.296 21.424 -5.394 1.00 0.00 H new ATOM 0 HE1 TYR A 70 78.538 17.518 -4.240 1.00 0.00 H new ATOM 0 HE2 TYR A 70 82.159 19.159 -5.783 1.00 0.00 H new ATOM 0 HH TYR A 70 81.783 16.987 -5.637 1.00 0.00 H new ATOM 1140 N VAL A 71 78.525 20.823 -1.560 1.00 0.00 N ATOM 1141 CA VAL A 71 77.697 20.098 -0.604 1.00 0.00 C ATOM 1142 C VAL A 71 77.694 20.789 0.755 1.00 0.00 C ATOM 1143 O VAL A 71 76.668 20.840 1.435 1.00 0.00 O ATOM 1144 CB VAL A 71 78.180 18.647 -0.429 1.00 0.00 C ATOM 1145 CG1 VAL A 71 79.638 18.618 0.005 1.00 0.00 C ATOM 1146 CG2 VAL A 71 77.303 17.910 0.571 1.00 0.00 C ATOM 0 H VAL A 71 79.338 20.304 -1.892 1.00 0.00 H new ATOM 0 HA VAL A 71 76.684 20.089 -1.006 1.00 0.00 H new ATOM 0 HB VAL A 71 78.102 18.138 -1.390 1.00 0.00 H new ATOM 0 HG11 VAL A 71 79.962 17.584 0.124 1.00 0.00 H new ATOM 0 HG12 VAL A 71 80.253 19.106 -0.751 1.00 0.00 H new ATOM 0 HG13 VAL A 71 79.746 19.143 0.954 1.00 0.00 H new ATOM 0 HG21 VAL A 71 77.659 16.886 0.682 1.00 0.00 H new ATOM 0 HG22 VAL A 71 77.347 18.416 1.535 1.00 0.00 H new ATOM 0 HG23 VAL A 71 76.273 17.899 0.213 1.00 0.00 H new ATOM 1156 N ASP A 72 78.848 21.319 1.146 1.00 0.00 N ATOM 1157 CA ASP A 72 78.979 22.008 2.424 1.00 0.00 C ATOM 1158 C ASP A 72 78.127 23.273 2.449 1.00 0.00 C ATOM 1159 O ASP A 72 77.598 23.658 3.493 1.00 0.00 O ATOM 1160 CB ASP A 72 80.443 22.359 2.691 1.00 0.00 C ATOM 1161 CG ASP A 72 81.142 21.318 3.544 1.00 0.00 C ATOM 1162 OD1 ASP A 72 80.741 21.145 4.714 1.00 0.00 O ATOM 1163 OD2 ASP A 72 82.090 20.678 3.043 1.00 0.00 O ATOM 0 H ASP A 72 79.706 21.284 0.596 1.00 0.00 H new ATOM 0 HA ASP A 72 78.626 21.338 3.208 1.00 0.00 H new ATOM 0 HB2 ASP A 72 80.969 22.459 1.741 1.00 0.00 H new ATOM 0 HB3 ASP A 72 80.497 23.327 3.188 1.00 0.00 H new ATOM 1168 N LEU A 73 78.000 23.917 1.294 1.00 0.00 N ATOM 1169 CA LEU A 73 77.213 25.141 1.183 1.00 0.00 C ATOM 1170 C LEU A 73 75.726 24.849 1.354 1.00 0.00 C ATOM 1171 O LEU A 73 75.054 25.458 2.187 1.00 0.00 O ATOM 1172 CB LEU A 73 77.461 25.809 -0.171 1.00 0.00 C ATOM 1173 CG LEU A 73 78.898 26.252 -0.447 1.00 0.00 C ATOM 1174 CD1 LEU A 73 78.941 27.228 -1.612 1.00 0.00 C ATOM 1175 CD2 LEU A 73 79.513 26.876 0.797 1.00 0.00 C ATOM 0 H LEU A 73 78.431 23.612 0.421 1.00 0.00 H new ATOM 0 HA LEU A 73 77.525 25.818 1.978 1.00 0.00 H new ATOM 0 HB2 LEU A 73 77.158 25.116 -0.956 1.00 0.00 H new ATOM 0 HB3 LEU A 73 76.812 26.681 -0.248 1.00 0.00 H new ATOM 0 HG LEU A 73 79.484 25.372 -0.715 1.00 0.00 H new ATOM 0 HD11 LEU A 73 79.972 27.532 -1.794 1.00 0.00 H new ATOM 0 HD12 LEU A 73 78.542 26.747 -2.505 1.00 0.00 H new ATOM 0 HD13 LEU A 73 78.340 28.106 -1.374 1.00 0.00 H new ATOM 0 HD21 LEU A 73 80.536 27.185 0.581 1.00 0.00 H new ATOM 0 HD22 LEU A 73 78.927 27.745 1.096 1.00 0.00 H new ATOM 0 HD23 LEU A 73 79.518 26.146 1.606 1.00 0.00 H new ATOM 1187 N LYS A 74 75.217 23.912 0.561 1.00 0.00 N ATOM 1188 CA LYS A 74 73.810 23.535 0.626 1.00 0.00 C ATOM 1189 C LYS A 74 73.445 23.031 2.018 1.00 0.00 C ATOM 1190 O LYS A 74 72.425 23.425 2.584 1.00 0.00 O ATOM 1191 CB LYS A 74 73.500 22.458 -0.416 1.00 0.00 C ATOM 1192 CG LYS A 74 72.156 21.781 -0.210 1.00 0.00 C ATOM 1193 CD LYS A 74 71.013 22.780 -0.270 1.00 0.00 C ATOM 1194 CE LYS A 74 69.708 22.163 0.208 1.00 0.00 C ATOM 1195 NZ LYS A 74 68.712 22.051 -0.893 1.00 0.00 N ATOM 0 H LYS A 74 75.759 23.399 -0.135 1.00 0.00 H new ATOM 0 HA LYS A 74 73.213 24.421 0.412 1.00 0.00 H new ATOM 0 HB2 LYS A 74 73.522 22.908 -1.409 1.00 0.00 H new ATOM 0 HB3 LYS A 74 74.286 21.703 -0.390 1.00 0.00 H new ATOM 0 HG2 LYS A 74 72.012 21.016 -0.973 1.00 0.00 H new ATOM 0 HG3 LYS A 74 72.147 21.274 0.755 1.00 0.00 H new ATOM 0 HD2 LYS A 74 71.254 23.647 0.345 1.00 0.00 H new ATOM 0 HD3 LYS A 74 70.894 23.138 -1.293 1.00 0.00 H new ATOM 0 HE2 LYS A 74 69.904 21.174 0.622 1.00 0.00 H new ATOM 0 HE3 LYS A 74 69.293 22.769 1.013 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 67.930 21.435 -0.592 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 68.341 22.995 -1.123 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 69.169 21.644 -1.734 1.00 0.00 H new ATOM 1209 N ASP A 75 74.285 22.160 2.565 1.00 0.00 N ATOM 1210 CA ASP A 75 74.052 21.603 3.893 1.00 0.00 C ATOM 1211 C ASP A 75 74.117 22.694 4.958 1.00 0.00 C ATOM 1212 O ASP A 75 73.351 22.682 5.922 1.00 0.00 O ATOM 1213 CB ASP A 75 75.079 20.512 4.200 1.00 0.00 C ATOM 1214 CG ASP A 75 74.579 19.521 5.233 1.00 0.00 C ATOM 1215 OD1 ASP A 75 73.357 19.264 5.268 1.00 0.00 O ATOM 1216 OD2 ASP A 75 75.411 19.001 6.006 1.00 0.00 O ATOM 0 H ASP A 75 75.134 21.824 2.110 1.00 0.00 H new ATOM 0 HA ASP A 75 73.054 21.165 3.906 1.00 0.00 H new ATOM 0 HB2 ASP A 75 75.326 19.981 3.281 1.00 0.00 H new ATOM 0 HB3 ASP A 75 75.999 20.974 4.559 1.00 0.00 H new ATOM 1221 N LYS A 76 75.038 23.635 4.779 1.00 0.00 N ATOM 1222 CA LYS A 76 75.204 24.733 5.723 1.00 0.00 C ATOM 1223 C LYS A 76 73.975 25.636 5.730 1.00 0.00 C ATOM 1224 O LYS A 76 73.489 26.030 6.790 1.00 0.00 O ATOM 1225 CB LYS A 76 76.449 25.551 5.371 1.00 0.00 C ATOM 1226 CG LYS A 76 77.719 25.038 6.025 1.00 0.00 C ATOM 1227 CD LYS A 76 78.953 25.718 5.456 1.00 0.00 C ATOM 1228 CE LYS A 76 80.182 25.448 6.311 1.00 0.00 C ATOM 1229 NZ LYS A 76 81.315 26.346 5.952 1.00 0.00 N ATOM 0 H LYS A 76 75.681 23.659 3.988 1.00 0.00 H new ATOM 0 HA LYS A 76 75.325 24.307 6.719 1.00 0.00 H new ATOM 0 HB2 LYS A 76 76.581 25.548 4.289 1.00 0.00 H new ATOM 0 HB3 LYS A 76 76.289 26.587 5.670 1.00 0.00 H new ATOM 0 HG2 LYS A 76 77.671 25.210 7.100 1.00 0.00 H new ATOM 0 HG3 LYS A 76 77.796 23.961 5.878 1.00 0.00 H new ATOM 0 HD2 LYS A 76 79.130 25.363 4.441 1.00 0.00 H new ATOM 0 HD3 LYS A 76 78.781 26.793 5.393 1.00 0.00 H new ATOM 0 HE2 LYS A 76 79.930 25.584 7.363 1.00 0.00 H new ATOM 0 HE3 LYS A 76 80.489 24.409 6.188 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 82.133 26.131 6.557 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 81.573 26.198 4.955 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 81.031 27.336 6.093 1.00 0.00 H new ATOM 1243 N TRP A 77 73.475 25.957 4.542 1.00 0.00 N ATOM 1244 CA TRP A 77 72.301 26.812 4.412 1.00 0.00 C ATOM 1245 C TRP A 77 71.095 26.189 5.108 1.00 0.00 C ATOM 1246 O TRP A 77 70.420 26.841 5.905 1.00 0.00 O ATOM 1247 CB TRP A 77 71.984 27.057 2.936 1.00 0.00 C ATOM 1248 CG TRP A 77 70.643 27.689 2.714 1.00 0.00 C ATOM 1249 CD1 TRP A 77 70.228 28.911 3.163 1.00 0.00 C ATOM 1250 CD2 TRP A 77 69.542 27.131 1.989 1.00 0.00 C ATOM 1251 NE1 TRP A 77 68.935 29.145 2.761 1.00 0.00 N ATOM 1252 CE2 TRP A 77 68.492 28.069 2.039 1.00 0.00 C ATOM 1253 CE3 TRP A 77 69.341 25.931 1.302 1.00 0.00 C ATOM 1254 CZ2 TRP A 77 67.261 27.841 1.429 1.00 0.00 C ATOM 1255 CZ3 TRP A 77 68.119 25.707 0.696 1.00 0.00 C ATOM 1256 CH2 TRP A 77 67.092 26.658 0.762 1.00 0.00 C ATOM 0 H TRP A 77 73.864 25.638 3.655 1.00 0.00 H new ATOM 0 HA TRP A 77 72.521 27.766 4.892 1.00 0.00 H new ATOM 0 HB2 TRP A 77 72.755 27.697 2.508 1.00 0.00 H new ATOM 0 HB3 TRP A 77 72.024 26.108 2.401 1.00 0.00 H new ATOM 0 HD1 TRP A 77 70.828 29.593 3.748 1.00 0.00 H new ATOM 0 HE1 TRP A 77 68.393 29.984 2.967 1.00 0.00 H new ATOM 0 HE3 TRP A 77 70.126 25.192 1.245 1.00 0.00 H new ATOM 0 HZ2 TRP A 77 66.468 28.572 1.480 1.00 0.00 H new ATOM 0 HZ3 TRP A 77 67.953 24.783 0.162 1.00 0.00 H new ATOM 0 HH2 TRP A 77 66.149 26.453 0.277 1.00 0.00 H new ATOM 1267 N LYS A 78 70.828 24.924 4.801 1.00 0.00 N ATOM 1268 CA LYS A 78 69.704 24.212 5.397 1.00 0.00 C ATOM 1269 C LYS A 78 69.856 24.127 6.912 1.00 0.00 C ATOM 1270 O LYS A 78 68.900 24.345 7.657 1.00 0.00 O ATOM 1271 CB LYS A 78 69.593 22.806 4.805 1.00 0.00 C ATOM 1272 CG LYS A 78 68.497 21.965 5.436 1.00 0.00 C ATOM 1273 CD LYS A 78 67.945 20.942 4.457 1.00 0.00 C ATOM 1274 CE LYS A 78 68.958 19.845 4.167 1.00 0.00 C ATOM 1275 NZ LYS A 78 69.082 18.890 5.303 1.00 0.00 N ATOM 0 H LYS A 78 71.376 24.370 4.142 1.00 0.00 H new ATOM 0 HA LYS A 78 68.793 24.767 5.172 1.00 0.00 H new ATOM 0 HB2 LYS A 78 69.407 22.886 3.734 1.00 0.00 H new ATOM 0 HB3 LYS A 78 70.547 22.294 4.926 1.00 0.00 H new ATOM 0 HG2 LYS A 78 68.890 21.454 6.315 1.00 0.00 H new ATOM 0 HG3 LYS A 78 67.691 22.614 5.779 1.00 0.00 H new ATOM 0 HD2 LYS A 78 67.036 20.500 4.865 1.00 0.00 H new ATOM 0 HD3 LYS A 78 67.669 21.439 3.527 1.00 0.00 H new ATOM 0 HE2 LYS A 78 68.660 19.304 3.269 1.00 0.00 H new ATOM 0 HE3 LYS A 78 69.930 20.293 3.962 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 69.704 18.103 5.028 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 69.487 19.380 6.126 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 68.142 18.519 5.549 1.00 0.00 H new ATOM 1289 N THR A 79 71.066 23.810 7.365 1.00 0.00 N ATOM 1290 CA THR A 79 71.343 23.697 8.791 1.00 0.00 C ATOM 1291 C THR A 79 71.158 25.036 9.495 1.00 0.00 C ATOM 1292 O THR A 79 70.442 25.130 10.494 1.00 0.00 O ATOM 1293 CB THR A 79 72.775 23.189 9.046 1.00 0.00 C ATOM 1294 OG1 THR A 79 72.979 21.941 8.376 1.00 0.00 O ATOM 1295 CG2 THR A 79 73.031 23.018 10.536 1.00 0.00 C ATOM 0 H THR A 79 71.869 23.627 6.764 1.00 0.00 H new ATOM 0 HA THR A 79 70.632 22.976 9.195 1.00 0.00 H new ATOM 0 HB THR A 79 73.474 23.929 8.656 1.00 0.00 H new ATOM 0 HG1 THR A 79 72.876 22.068 7.410 1.00 0.00 H new ATOM 0 HG21 THR A 79 74.048 22.659 10.692 1.00 0.00 H new ATOM 0 HG22 THR A 79 72.904 23.976 11.039 1.00 0.00 H new ATOM 0 HG23 THR A 79 72.325 22.296 10.946 1.00 0.00 H new ATOM 1303 N LEU A 80 71.805 26.070 8.969 1.00 0.00 N ATOM 1304 CA LEU A 80 71.710 27.406 9.548 1.00 0.00 C ATOM 1305 C LEU A 80 70.258 27.867 9.620 1.00 0.00 C ATOM 1306 O LEU A 80 69.869 28.586 10.540 1.00 0.00 O ATOM 1307 CB LEU A 80 72.532 28.399 8.724 1.00 0.00 C ATOM 1308 CG LEU A 80 71.749 29.252 7.725 1.00 0.00 C ATOM 1309 CD1 LEU A 80 71.141 30.462 8.418 1.00 0.00 C ATOM 1310 CD2 LEU A 80 72.648 29.688 6.577 1.00 0.00 C ATOM 0 H LEU A 80 72.401 26.009 8.143 1.00 0.00 H new ATOM 0 HA LEU A 80 72.109 27.365 10.562 1.00 0.00 H new ATOM 0 HB2 LEU A 80 73.054 29.066 9.410 1.00 0.00 H new ATOM 0 HB3 LEU A 80 73.295 27.844 8.178 1.00 0.00 H new ATOM 0 HG LEU A 80 70.939 28.648 7.316 1.00 0.00 H new ATOM 0 HD11 LEU A 80 70.588 31.057 7.692 1.00 0.00 H new ATOM 0 HD12 LEU A 80 70.464 30.129 9.205 1.00 0.00 H new ATOM 0 HD13 LEU A 80 71.935 31.068 8.855 1.00 0.00 H new ATOM 0 HD21 LEU A 80 72.074 30.294 5.876 1.00 0.00 H new ATOM 0 HD22 LEU A 80 73.479 30.275 6.968 1.00 0.00 H new ATOM 0 HD23 LEU A 80 73.035 28.808 6.064 1.00 0.00 H new ATOM 1322 N VAL A 81 69.460 27.445 8.644 1.00 0.00 N ATOM 1323 CA VAL A 81 68.049 27.812 8.599 1.00 0.00 C ATOM 1324 C VAL A 81 67.280 27.180 9.753 1.00 0.00 C ATOM 1325 O VAL A 81 66.494 27.846 10.428 1.00 0.00 O ATOM 1326 CB VAL A 81 67.401 27.384 7.269 1.00 0.00 C ATOM 1327 CG1 VAL A 81 65.884 27.459 7.365 1.00 0.00 C ATOM 1328 CG2 VAL A 81 67.914 28.245 6.125 1.00 0.00 C ATOM 0 H VAL A 81 69.766 26.849 7.875 1.00 0.00 H new ATOM 0 HA VAL A 81 68.001 28.897 8.686 1.00 0.00 H new ATOM 0 HB VAL A 81 67.678 26.349 7.067 1.00 0.00 H new ATOM 0 HG11 VAL A 81 65.444 27.153 6.416 1.00 0.00 H new ATOM 0 HG12 VAL A 81 65.536 26.796 8.157 1.00 0.00 H new ATOM 0 HG13 VAL A 81 65.584 28.482 7.591 1.00 0.00 H new ATOM 0 HG21 VAL A 81 67.446 27.929 5.193 1.00 0.00 H new ATOM 0 HG22 VAL A 81 67.669 29.290 6.318 1.00 0.00 H new ATOM 0 HG23 VAL A 81 68.995 28.135 6.043 1.00 0.00 H new ATOM 1338 N HIS A 82 67.511 25.890 9.976 1.00 0.00 N ATOM 1339 CA HIS A 82 66.840 25.167 11.050 1.00 0.00 C ATOM 1340 C HIS A 82 67.169 25.782 12.407 1.00 0.00 C ATOM 1341 O HIS A 82 66.316 25.856 13.291 1.00 0.00 O ATOM 1342 CB HIS A 82 67.247 23.693 11.033 1.00 0.00 C ATOM 1343 CG HIS A 82 66.283 22.798 11.749 1.00 0.00 C ATOM 1344 ND1 HIS A 82 65.054 22.448 11.231 1.00 0.00 N ATOM 1345 CD2 HIS A 82 66.374 22.178 12.949 1.00 0.00 C ATOM 1346 CE1 HIS A 82 64.430 21.653 12.082 1.00 0.00 C ATOM 1347 NE2 HIS A 82 65.210 21.474 13.133 1.00 0.00 N ATOM 0 H HIS A 82 68.158 25.324 9.427 1.00 0.00 H new ATOM 0 HA HIS A 82 65.765 25.241 10.888 1.00 0.00 H new ATOM 0 HB2 HIS A 82 67.338 23.362 9.999 1.00 0.00 H new ATOM 0 HB3 HIS A 82 68.232 23.591 11.489 1.00 0.00 H new ATOM 0 HD2 HIS A 82 67.207 22.228 13.634 1.00 0.00 H new ATOM 0 HE1 HIS A 82 63.449 21.223 11.942 1.00 0.00 H new ATOM 0 HE2 HIS A 82 64.984 20.905 13.949 1.00 0.00 H new ATOM 1355 N THR A 83 68.414 26.223 12.565 1.00 0.00 N ATOM 1356 CA THR A 83 68.856 26.830 13.814 1.00 0.00 C ATOM 1357 C THR A 83 68.269 28.226 13.986 1.00 0.00 C ATOM 1358 O THR A 83 68.042 28.681 15.107 1.00 0.00 O ATOM 1359 CB THR A 83 70.392 26.920 13.882 1.00 0.00 C ATOM 1360 OG1 THR A 83 70.973 25.661 13.521 1.00 0.00 O ATOM 1361 CG2 THR A 83 70.851 27.314 15.278 1.00 0.00 C ATOM 0 H THR A 83 69.133 26.171 11.844 1.00 0.00 H new ATOM 0 HA THR A 83 68.500 26.188 14.620 1.00 0.00 H new ATOM 0 HB THR A 83 70.720 27.686 13.180 1.00 0.00 H new ATOM 0 HG1 THR A 83 70.851 25.508 12.561 1.00 0.00 H new ATOM 0 HG21 THR A 83 71.939 27.371 15.301 1.00 0.00 H new ATOM 0 HG22 THR A 83 70.431 28.286 15.538 1.00 0.00 H new ATOM 0 HG23 THR A 83 70.512 26.568 15.997 1.00 0.00 H new ATOM 1369 N ALA A 84 68.024 28.901 12.868 1.00 0.00 N ATOM 1370 CA ALA A 84 67.460 30.245 12.895 1.00 0.00 C ATOM 1371 C ALA A 84 65.942 30.200 13.035 1.00 0.00 C ATOM 1372 O ALA A 84 65.299 31.227 13.255 1.00 0.00 O ATOM 1373 CB ALA A 84 67.854 31.008 11.639 1.00 0.00 C ATOM 0 H ALA A 84 68.207 28.539 11.932 1.00 0.00 H new ATOM 0 HA ALA A 84 67.864 30.765 13.764 1.00 0.00 H new ATOM 0 HB1 ALA A 84 67.426 32.010 11.673 1.00 0.00 H new ATOM 0 HB2 ALA A 84 68.940 31.079 11.582 1.00 0.00 H new ATOM 0 HB3 ALA A 84 67.478 30.482 10.761 1.00 0.00 H new ATOM 1379 N SER A 85 65.375 29.005 12.906 1.00 0.00 N ATOM 1380 CA SER A 85 63.932 28.828 13.014 1.00 0.00 C ATOM 1381 C SER A 85 63.555 28.262 14.380 1.00 0.00 C ATOM 1382 O SER A 85 62.525 28.623 14.950 1.00 0.00 O ATOM 1383 CB SER A 85 63.427 27.900 11.908 1.00 0.00 C ATOM 1384 OG SER A 85 62.201 28.366 11.372 1.00 0.00 O ATOM 0 H SER A 85 65.893 28.145 12.727 1.00 0.00 H new ATOM 0 HA SER A 85 63.461 29.805 12.902 1.00 0.00 H new ATOM 0 HB2 SER A 85 64.172 27.834 11.115 1.00 0.00 H new ATOM 0 HB3 SER A 85 63.295 26.894 12.305 1.00 0.00 H new ATOM 0 HG SER A 85 62.127 28.088 10.435 1.00 0.00 H new ATOM 1390 N ILE A 86 64.396 27.374 14.898 1.00 0.00 N ATOM 1391 CA ILE A 86 64.152 26.758 16.197 1.00 0.00 C ATOM 1392 C ILE A 86 63.995 27.815 17.285 1.00 0.00 C ATOM 1393 O ILE A 86 64.070 29.014 17.016 1.00 0.00 O ATOM 1394 CB ILE A 86 65.293 25.800 16.589 1.00 0.00 C ATOM 1395 CG1 ILE A 86 66.639 26.525 16.533 1.00 0.00 C ATOM 1396 CG2 ILE A 86 65.301 24.585 15.674 1.00 0.00 C ATOM 1397 CD1 ILE A 86 67.793 25.699 17.056 1.00 0.00 C ATOM 0 H ILE A 86 65.252 27.065 14.439 1.00 0.00 H new ATOM 0 HA ILE A 86 63.226 26.190 16.108 1.00 0.00 H new ATOM 0 HB ILE A 86 65.128 25.460 17.611 1.00 0.00 H new ATOM 0 HG12 ILE A 86 66.846 26.811 15.502 1.00 0.00 H new ATOM 0 HG13 ILE A 86 66.571 27.446 17.112 1.00 0.00 H new ATOM 0 HG21 ILE A 86 66.113 23.917 15.963 1.00 0.00 H new ATOM 0 HG22 ILE A 86 64.350 24.059 15.759 1.00 0.00 H new ATOM 0 HG23 ILE A 86 65.446 24.907 14.643 1.00 0.00 H new ATOM 0 HD11 ILE A 86 68.715 26.276 16.986 1.00 0.00 H new ATOM 0 HD12 ILE A 86 67.609 25.435 18.097 1.00 0.00 H new ATOM 0 HD13 ILE A 86 67.888 24.790 16.462 1.00 0.00 H new ATOM 1409 N ALA A 87 63.777 27.362 18.515 1.00 0.00 N ATOM 1410 CA ALA A 87 63.613 28.268 19.645 1.00 0.00 C ATOM 1411 C ALA A 87 64.777 29.248 19.737 1.00 0.00 C ATOM 1412 O ALA A 87 65.859 29.017 19.195 1.00 0.00 O ATOM 1413 CB ALA A 87 63.482 27.479 20.939 1.00 0.00 C ATOM 0 H ALA A 87 63.710 26.373 18.754 1.00 0.00 H new ATOM 0 HA ALA A 87 62.700 28.843 19.488 1.00 0.00 H new ATOM 0 HB1 ALA A 87 63.360 28.168 21.775 1.00 0.00 H new ATOM 0 HB2 ALA A 87 62.613 26.824 20.879 1.00 0.00 H new ATOM 0 HB3 ALA A 87 64.379 26.879 21.092 1.00 0.00 H new ATOM 1419 N PRO A 88 64.554 30.369 20.438 1.00 0.00 N ATOM 1420 CA PRO A 88 65.574 31.408 20.617 1.00 0.00 C ATOM 1421 C PRO A 88 66.713 30.952 21.522 1.00 0.00 C ATOM 1422 O PRO A 88 67.843 31.423 21.398 1.00 0.00 O ATOM 1423 CB PRO A 88 64.800 32.556 21.268 1.00 0.00 C ATOM 1424 CG PRO A 88 63.654 31.899 21.957 1.00 0.00 C ATOM 1425 CD PRO A 88 63.289 30.710 21.111 1.00 0.00 C ATOM 0 HA PRO A 88 66.051 31.678 19.675 1.00 0.00 H new ATOM 0 HB2 PRO A 88 65.424 33.104 21.974 1.00 0.00 H new ATOM 0 HB3 PRO A 88 64.455 33.273 20.523 1.00 0.00 H new ATOM 0 HG2 PRO A 88 63.930 31.591 22.965 1.00 0.00 H new ATOM 0 HG3 PRO A 88 62.811 32.584 22.052 1.00 0.00 H new ATOM 0 HD2 PRO A 88 62.921 29.883 21.718 1.00 0.00 H new ATOM 0 HD3 PRO A 88 62.505 30.953 20.394 1.00 0.00 H new ATOM 1433 N GLN A 89 66.408 30.032 22.431 1.00 0.00 N ATOM 1434 CA GLN A 89 67.407 29.513 23.357 1.00 0.00 C ATOM 1435 C GLN A 89 68.295 28.476 22.676 1.00 0.00 C ATOM 1436 O GLN A 89 69.251 27.979 23.269 1.00 0.00 O ATOM 1437 CB GLN A 89 66.728 28.895 24.581 1.00 0.00 C ATOM 1438 CG GLN A 89 65.687 27.843 24.232 1.00 0.00 C ATOM 1439 CD GLN A 89 65.203 27.075 25.446 1.00 0.00 C ATOM 1440 OE1 GLN A 89 65.921 26.235 25.990 1.00 0.00 O ATOM 1441 NE2 GLN A 89 63.981 27.360 25.879 1.00 0.00 N ATOM 0 H GLN A 89 65.477 29.631 22.546 1.00 0.00 H new ATOM 0 HA GLN A 89 68.033 30.345 23.679 1.00 0.00 H new ATOM 0 HB2 GLN A 89 67.488 28.444 25.219 1.00 0.00 H new ATOM 0 HB3 GLN A 89 66.253 29.686 25.161 1.00 0.00 H new ATOM 0 HG2 GLN A 89 64.837 28.325 23.749 1.00 0.00 H new ATOM 0 HG3 GLN A 89 66.110 27.145 23.510 1.00 0.00 H new ATOM 0 HE21 GLN A 89 63.421 28.063 25.398 1.00 0.00 H new ATOM 0 HE22 GLN A 89 63.602 26.876 26.693 1.00 0.00 H new ATOM 1450 N GLN A 90 67.970 28.156 21.427 1.00 0.00 N ATOM 1451 CA GLN A 90 68.738 27.177 20.666 1.00 0.00 C ATOM 1452 C GLN A 90 69.379 27.822 19.442 1.00 0.00 C ATOM 1453 O GLN A 90 70.409 27.357 18.952 1.00 0.00 O ATOM 1454 CB GLN A 90 67.839 26.017 20.235 1.00 0.00 C ATOM 1455 CG GLN A 90 67.245 25.242 21.399 1.00 0.00 C ATOM 1456 CD GLN A 90 68.134 24.102 21.856 1.00 0.00 C ATOM 1457 OE1 GLN A 90 69.225 23.898 21.323 1.00 0.00 O ATOM 1458 NE2 GLN A 90 67.672 23.352 22.849 1.00 0.00 N ATOM 0 H GLN A 90 67.181 28.560 20.921 1.00 0.00 H new ATOM 0 HA GLN A 90 69.530 26.793 21.309 1.00 0.00 H new ATOM 0 HB2 GLN A 90 67.029 26.406 19.618 1.00 0.00 H new ATOM 0 HB3 GLN A 90 68.416 25.334 19.611 1.00 0.00 H new ATOM 0 HG2 GLN A 90 67.075 25.922 22.234 1.00 0.00 H new ATOM 0 HG3 GLN A 90 66.273 24.845 21.108 1.00 0.00 H new ATOM 0 HE21 GLN A 90 66.762 23.557 23.262 1.00 0.00 H new ATOM 0 HE22 GLN A 90 68.227 22.571 23.199 1.00 0.00 H new ATOM 1467 N ARG A 91 68.765 28.894 18.953 1.00 0.00 N ATOM 1468 CA ARG A 91 69.275 29.601 17.785 1.00 0.00 C ATOM 1469 C ARG A 91 70.572 30.333 18.117 1.00 0.00 C ATOM 1470 O ARG A 91 71.268 30.819 17.225 1.00 0.00 O ATOM 1471 CB ARG A 91 68.233 30.595 17.268 1.00 0.00 C ATOM 1472 CG ARG A 91 68.141 31.866 18.097 1.00 0.00 C ATOM 1473 CD ARG A 91 67.071 32.804 17.561 1.00 0.00 C ATOM 1474 NE ARG A 91 66.993 34.043 18.330 1.00 0.00 N ATOM 1475 CZ ARG A 91 66.184 35.050 18.021 1.00 0.00 C ATOM 1476 NH1 ARG A 91 65.388 34.965 16.965 1.00 0.00 N ATOM 1477 NH2 ARG A 91 66.171 36.145 18.771 1.00 0.00 N ATOM 0 H ARG A 91 67.913 29.292 19.348 1.00 0.00 H new ATOM 0 HA ARG A 91 69.482 28.866 17.008 1.00 0.00 H new ATOM 0 HB2 ARG A 91 68.475 30.859 16.238 1.00 0.00 H new ATOM 0 HB3 ARG A 91 67.257 30.110 17.252 1.00 0.00 H new ATOM 0 HG2 ARG A 91 67.917 31.611 19.133 1.00 0.00 H new ATOM 0 HG3 ARG A 91 69.106 32.374 18.095 1.00 0.00 H new ATOM 0 HD2 ARG A 91 67.284 33.038 16.518 1.00 0.00 H new ATOM 0 HD3 ARG A 91 66.104 32.302 17.584 1.00 0.00 H new ATOM 0 HE ARG A 91 67.593 34.140 19.149 1.00 0.00 H new ATOM 0 HH11 ARG A 91 65.396 34.125 16.387 1.00 0.00 H new ATOM 0 HH12 ARG A 91 64.768 35.740 16.730 1.00 0.00 H new ATOM 0 HH21 ARG A 91 66.782 36.213 19.585 1.00 0.00 H new ATOM 0 HH22 ARG A 91 65.550 36.918 18.534 1.00 0.00 H new ATOM 1491 N ARG A 92 70.890 30.409 19.405 1.00 0.00 N ATOM 1492 CA ARG A 92 72.102 31.084 19.854 1.00 0.00 C ATOM 1493 C ARG A 92 73.323 30.566 19.100 1.00 0.00 C ATOM 1494 O ARG A 92 73.753 29.431 19.298 1.00 0.00 O ATOM 1495 CB ARG A 92 72.295 30.882 21.359 1.00 0.00 C ATOM 1496 CG ARG A 92 73.360 31.784 21.962 1.00 0.00 C ATOM 1497 CD ARG A 92 73.472 31.585 23.465 1.00 0.00 C ATOM 1498 NE ARG A 92 74.086 30.304 23.803 1.00 0.00 N ATOM 1499 CZ ARG A 92 74.617 30.034 24.991 1.00 0.00 C ATOM 1500 NH1 ARG A 92 74.608 30.951 25.949 1.00 0.00 N ATOM 1501 NH2 ARG A 92 75.158 28.845 25.223 1.00 0.00 N ATOM 0 H ARG A 92 70.325 30.012 20.156 1.00 0.00 H new ATOM 0 HA ARG A 92 71.994 32.149 19.648 1.00 0.00 H new ATOM 0 HB2 ARG A 92 71.347 31.063 21.866 1.00 0.00 H new ATOM 0 HB3 ARG A 92 72.563 29.842 21.546 1.00 0.00 H new ATOM 0 HG2 ARG A 92 74.322 31.576 21.494 1.00 0.00 H new ATOM 0 HG3 ARG A 92 73.120 32.826 21.749 1.00 0.00 H new ATOM 0 HD2 ARG A 92 74.062 32.394 23.895 1.00 0.00 H new ATOM 0 HD3 ARG A 92 72.480 31.641 23.913 1.00 0.00 H new ATOM 0 HE ARG A 92 74.109 29.577 23.088 1.00 0.00 H new ATOM 0 HH11 ARG A 92 74.193 31.866 25.775 1.00 0.00 H new ATOM 0 HH12 ARG A 92 75.016 30.741 26.860 1.00 0.00 H new ATOM 0 HH21 ARG A 92 75.167 28.137 24.489 1.00 0.00 H new ATOM 0 HH22 ARG A 92 75.565 28.639 26.135 1.00 0.00 H new ATOM 1515 N GLY A 93 73.878 31.409 18.234 1.00 0.00 N ATOM 1516 CA GLY A 93 75.044 31.019 17.463 1.00 0.00 C ATOM 1517 C GLY A 93 76.122 32.085 17.462 1.00 0.00 C ATOM 1518 O GLY A 93 76.297 32.800 18.448 1.00 0.00 O ATOM 0 H GLY A 93 73.541 32.355 18.053 1.00 0.00 H new ATOM 0 HA2 GLY A 93 75.452 30.094 17.870 1.00 0.00 H new ATOM 0 HA3 GLY A 93 74.743 30.810 16.436 1.00 0.00 H new ATOM 1522 N ALA A 94 76.847 32.190 16.354 1.00 0.00 N ATOM 1523 CA ALA A 94 77.913 33.176 16.229 1.00 0.00 C ATOM 1524 C ALA A 94 77.357 34.595 16.278 1.00 0.00 C ATOM 1525 O ALA A 94 76.171 34.831 16.047 1.00 0.00 O ATOM 1526 CB ALA A 94 78.688 32.955 14.938 1.00 0.00 C ATOM 0 H ALA A 94 76.716 31.604 15.529 1.00 0.00 H new ATOM 0 HA ALA A 94 78.591 33.050 17.073 1.00 0.00 H new ATOM 0 HB1 ALA A 94 79.481 33.699 14.858 1.00 0.00 H new ATOM 0 HB2 ALA A 94 79.126 31.957 14.943 1.00 0.00 H new ATOM 0 HB3 ALA A 94 78.013 33.051 14.087 1.00 0.00 H new ATOM 1532 N PRO A 95 78.231 35.564 16.587 1.00 0.00 N ATOM 1533 CA PRO A 95 77.850 36.976 16.675 1.00 0.00 C ATOM 1534 C PRO A 95 77.521 37.573 15.310 1.00 0.00 C ATOM 1535 O PRO A 95 78.308 38.336 14.750 1.00 0.00 O ATOM 1536 CB PRO A 95 79.094 37.644 17.265 1.00 0.00 C ATOM 1537 CG PRO A 95 80.222 36.750 16.882 1.00 0.00 C ATOM 1538 CD PRO A 95 79.660 35.355 16.875 1.00 0.00 C ATOM 0 HA PRO A 95 76.950 37.119 17.273 1.00 0.00 H new ATOM 0 HB2 PRO A 95 79.231 38.648 16.865 1.00 0.00 H new ATOM 0 HB3 PRO A 95 79.016 37.741 18.348 1.00 0.00 H new ATOM 0 HG2 PRO A 95 80.616 37.017 15.901 1.00 0.00 H new ATOM 0 HG3 PRO A 95 81.046 36.835 17.591 1.00 0.00 H new ATOM 0 HD2 PRO A 95 80.136 34.734 16.116 1.00 0.00 H new ATOM 0 HD3 PRO A 95 79.808 34.857 17.833 1.00 0.00 H new ATOM 1546 N VAL A 96 76.354 37.221 14.781 1.00 0.00 N ATOM 1547 CA VAL A 96 75.920 37.724 13.483 1.00 0.00 C ATOM 1548 C VAL A 96 74.585 38.451 13.593 1.00 0.00 C ATOM 1549 O VAL A 96 73.793 38.212 14.505 1.00 0.00 O ATOM 1550 CB VAL A 96 75.789 36.584 12.455 1.00 0.00 C ATOM 1551 CG1 VAL A 96 77.158 36.175 11.933 1.00 0.00 C ATOM 1552 CG2 VAL A 96 75.066 35.394 13.069 1.00 0.00 C ATOM 0 H VAL A 96 75.692 36.589 15.231 1.00 0.00 H new ATOM 0 HA VAL A 96 76.684 38.424 13.143 1.00 0.00 H new ATOM 0 HB VAL A 96 75.199 36.944 11.612 1.00 0.00 H new ATOM 0 HG11 VAL A 96 77.045 35.369 11.208 1.00 0.00 H new ATOM 0 HG12 VAL A 96 77.635 37.030 11.453 1.00 0.00 H new ATOM 0 HG13 VAL A 96 77.776 35.833 12.763 1.00 0.00 H new ATOM 0 HG21 VAL A 96 74.982 34.598 12.329 1.00 0.00 H new ATOM 0 HG22 VAL A 96 75.628 35.032 13.930 1.00 0.00 H new ATOM 0 HG23 VAL A 96 74.069 35.699 13.388 1.00 0.00 H new ATOM 1562 N PRO A 97 74.326 39.359 12.641 1.00 0.00 N ATOM 1563 CA PRO A 97 73.085 40.140 12.608 1.00 0.00 C ATOM 1564 C PRO A 97 71.872 39.285 12.259 1.00 0.00 C ATOM 1565 O PRO A 97 71.952 38.393 11.415 1.00 0.00 O ATOM 1566 CB PRO A 97 73.345 41.173 11.509 1.00 0.00 C ATOM 1567 CG PRO A 97 74.362 40.538 10.624 1.00 0.00 C ATOM 1568 CD PRO A 97 75.224 39.695 11.523 1.00 0.00 C ATOM 0 HA PRO A 97 72.854 40.579 13.578 1.00 0.00 H new ATOM 0 HB2 PRO A 97 72.432 41.405 10.960 1.00 0.00 H new ATOM 0 HB3 PRO A 97 73.713 42.110 11.926 1.00 0.00 H new ATOM 0 HG2 PRO A 97 73.885 39.928 9.856 1.00 0.00 H new ATOM 0 HG3 PRO A 97 74.956 41.292 10.108 1.00 0.00 H new ATOM 0 HD2 PRO A 97 75.582 38.801 11.013 1.00 0.00 H new ATOM 0 HD3 PRO A 97 76.103 40.241 11.864 1.00 0.00 H new ATOM 1576 N GLN A 98 70.749 39.563 12.914 1.00 0.00 N ATOM 1577 CA GLN A 98 69.519 38.818 12.672 1.00 0.00 C ATOM 1578 C GLN A 98 69.179 38.798 11.186 1.00 0.00 C ATOM 1579 O GLN A 98 68.527 37.873 10.702 1.00 0.00 O ATOM 1580 CB GLN A 98 68.363 39.431 13.464 1.00 0.00 C ATOM 1581 CG GLN A 98 68.127 40.901 13.158 1.00 0.00 C ATOM 1582 CD GLN A 98 67.375 41.615 14.264 1.00 0.00 C ATOM 1583 OE1 GLN A 98 67.948 42.418 15.001 1.00 0.00 O ATOM 1584 NE2 GLN A 98 66.085 41.325 14.386 1.00 0.00 N ATOM 0 H GLN A 98 70.666 40.298 13.616 1.00 0.00 H new ATOM 0 HA GLN A 98 69.674 37.791 13.004 1.00 0.00 H new ATOM 0 HB2 GLN A 98 67.451 38.873 13.250 1.00 0.00 H new ATOM 0 HB3 GLN A 98 68.563 39.318 14.529 1.00 0.00 H new ATOM 0 HG2 GLN A 98 69.086 41.394 13.000 1.00 0.00 H new ATOM 0 HG3 GLN A 98 67.566 40.989 12.227 1.00 0.00 H new ATOM 0 HE21 GLN A 98 65.651 40.653 13.753 1.00 0.00 H new ATOM 0 HE22 GLN A 98 65.528 41.774 15.113 1.00 0.00 H new ATOM 1593 N GLU A 99 69.623 39.824 10.468 1.00 0.00 N ATOM 1594 CA GLU A 99 69.364 39.924 9.036 1.00 0.00 C ATOM 1595 C GLU A 99 69.753 38.633 8.322 1.00 0.00 C ATOM 1596 O GLU A 99 69.170 38.277 7.297 1.00 0.00 O ATOM 1597 CB GLU A 99 70.132 41.103 8.436 1.00 0.00 C ATOM 1598 CG GLU A 99 71.621 40.843 8.279 1.00 0.00 C ATOM 1599 CD GLU A 99 72.445 42.114 8.340 1.00 0.00 C ATOM 1600 OE1 GLU A 99 71.851 43.200 8.502 1.00 0.00 O ATOM 1601 OE2 GLU A 99 73.686 42.022 8.226 1.00 0.00 O ATOM 0 H GLU A 99 70.164 40.598 10.854 1.00 0.00 H new ATOM 0 HA GLU A 99 68.295 40.089 8.897 1.00 0.00 H new ATOM 0 HB2 GLU A 99 69.709 41.343 7.461 1.00 0.00 H new ATOM 0 HB3 GLU A 99 69.989 41.979 9.069 1.00 0.00 H new ATOM 0 HG2 GLU A 99 71.952 40.162 9.063 1.00 0.00 H new ATOM 0 HG3 GLU A 99 71.800 40.344 7.327 1.00 0.00 H new ATOM 1608 N LEU A 100 70.743 37.936 8.869 1.00 0.00 N ATOM 1609 CA LEU A 100 71.212 36.684 8.285 1.00 0.00 C ATOM 1610 C LEU A 100 70.188 35.572 8.488 1.00 0.00 C ATOM 1611 O LEU A 100 69.909 34.796 7.573 1.00 0.00 O ATOM 1612 CB LEU A 100 72.551 36.280 8.904 1.00 0.00 C ATOM 1613 CG LEU A 100 73.666 37.323 8.832 1.00 0.00 C ATOM 1614 CD1 LEU A 100 75.021 36.673 9.062 1.00 0.00 C ATOM 1615 CD2 LEU A 100 73.638 38.041 7.490 1.00 0.00 C ATOM 0 H LEU A 100 71.237 38.217 9.716 1.00 0.00 H new ATOM 0 HA LEU A 100 71.346 36.838 7.214 1.00 0.00 H new ATOM 0 HB2 LEU A 100 72.383 36.029 9.951 1.00 0.00 H new ATOM 0 HB3 LEU A 100 72.898 35.372 8.410 1.00 0.00 H new ATOM 0 HG LEU A 100 73.501 38.058 9.619 1.00 0.00 H new ATOM 0 HD11 LEU A 100 75.802 37.431 9.007 1.00 0.00 H new ATOM 0 HD12 LEU A 100 75.038 36.205 10.046 1.00 0.00 H new ATOM 0 HD13 LEU A 100 75.196 35.916 8.298 1.00 0.00 H new ATOM 0 HD21 LEU A 100 74.438 38.780 7.456 1.00 0.00 H new ATOM 0 HD22 LEU A 100 73.778 37.317 6.687 1.00 0.00 H new ATOM 0 HD23 LEU A 100 72.677 38.541 7.365 1.00 0.00 H new ATOM 1627 N LEU A 101 69.630 35.501 9.691 1.00 0.00 N ATOM 1628 CA LEU A 101 68.634 34.484 10.014 1.00 0.00 C ATOM 1629 C LEU A 101 67.281 34.834 9.404 1.00 0.00 C ATOM 1630 O LEU A 101 66.486 33.951 9.082 1.00 0.00 O ATOM 1631 CB LEU A 101 68.500 34.337 11.531 1.00 0.00 C ATOM 1632 CG LEU A 101 69.771 33.937 12.281 1.00 0.00 C ATOM 1633 CD1 LEU A 101 70.727 33.198 11.357 1.00 0.00 C ATOM 1634 CD2 LEU A 101 70.446 35.163 12.879 1.00 0.00 C ATOM 0 H LEU A 101 69.850 36.135 10.459 1.00 0.00 H new ATOM 0 HA LEU A 101 68.968 33.536 9.591 1.00 0.00 H new ATOM 0 HB2 LEU A 101 68.145 35.284 11.938 1.00 0.00 H new ATOM 0 HB3 LEU A 101 67.731 33.593 11.737 1.00 0.00 H new ATOM 0 HG LEU A 101 69.493 33.266 13.094 1.00 0.00 H new ATOM 0 HD11 LEU A 101 71.626 32.922 11.909 1.00 0.00 H new ATOM 0 HD12 LEU A 101 70.243 32.298 10.977 1.00 0.00 H new ATOM 0 HD13 LEU A 101 70.998 33.844 10.522 1.00 0.00 H new ATOM 0 HD21 LEU A 101 71.349 34.859 13.409 1.00 0.00 H new ATOM 0 HD22 LEU A 101 70.710 35.858 12.082 1.00 0.00 H new ATOM 0 HD23 LEU A 101 69.764 35.651 13.575 1.00 0.00 H new ATOM 1646 N ASP A 102 67.026 36.129 9.247 1.00 0.00 N ATOM 1647 CA ASP A 102 65.770 36.596 8.672 1.00 0.00 C ATOM 1648 C ASP A 102 65.782 36.457 7.153 1.00 0.00 C ATOM 1649 O ASP A 102 64.753 36.181 6.537 1.00 0.00 O ATOM 1650 CB ASP A 102 65.518 38.054 9.061 1.00 0.00 C ATOM 1651 CG ASP A 102 64.043 38.406 9.062 1.00 0.00 C ATOM 1652 OD1 ASP A 102 63.317 37.920 9.954 1.00 0.00 O ATOM 1653 OD2 ASP A 102 63.615 39.168 8.170 1.00 0.00 O ATOM 0 H ASP A 102 67.672 36.873 9.510 1.00 0.00 H new ATOM 0 HA ASP A 102 64.965 35.977 9.069 1.00 0.00 H new ATOM 0 HB2 ASP A 102 65.934 38.240 10.051 1.00 0.00 H new ATOM 0 HB3 ASP A 102 66.044 38.709 8.366 1.00 0.00 H new ATOM 1658 N ARG A 103 66.953 36.652 6.556 1.00 0.00 N ATOM 1659 CA ARG A 103 67.099 36.551 5.108 1.00 0.00 C ATOM 1660 C ARG A 103 67.102 35.091 4.663 1.00 0.00 C ATOM 1661 O ARG A 103 66.559 34.750 3.612 1.00 0.00 O ATOM 1662 CB ARG A 103 68.389 37.236 4.655 1.00 0.00 C ATOM 1663 CG ARG A 103 69.648 36.469 5.024 1.00 0.00 C ATOM 1664 CD ARG A 103 70.896 37.158 4.493 1.00 0.00 C ATOM 1665 NE ARG A 103 71.543 36.382 3.439 1.00 0.00 N ATOM 1666 CZ ARG A 103 71.229 36.485 2.152 1.00 0.00 C ATOM 1667 NH1 ARG A 103 70.281 37.327 1.763 1.00 0.00 N ATOM 1668 NH2 ARG A 103 71.863 35.745 1.252 1.00 0.00 N ATOM 0 H ARG A 103 67.814 36.881 7.052 1.00 0.00 H new ATOM 0 HA ARG A 103 66.248 37.052 4.646 1.00 0.00 H new ATOM 0 HB2 ARG A 103 68.359 37.370 3.574 1.00 0.00 H new ATOM 0 HB3 ARG A 103 68.437 38.231 5.098 1.00 0.00 H new ATOM 0 HG2 ARG A 103 69.715 36.377 6.108 1.00 0.00 H new ATOM 0 HG3 ARG A 103 69.590 35.458 4.622 1.00 0.00 H new ATOM 0 HD2 ARG A 103 70.630 38.142 4.107 1.00 0.00 H new ATOM 0 HD3 ARG A 103 71.599 37.315 5.311 1.00 0.00 H new ATOM 0 HE ARG A 103 72.276 35.725 3.705 1.00 0.00 H new ATOM 0 HH11 ARG A 103 69.791 37.897 2.452 1.00 0.00 H new ATOM 0 HH12 ARG A 103 70.042 37.404 0.774 1.00 0.00 H new ATOM 0 HH21 ARG A 103 72.592 35.096 1.548 1.00 0.00 H new ATOM 0 HH22 ARG A 103 71.621 35.825 0.264 1.00 0.00 H new ATOM 1682 N VAL A 104 67.719 34.233 5.470 1.00 0.00 N ATOM 1683 CA VAL A 104 67.793 32.810 5.160 1.00 0.00 C ATOM 1684 C VAL A 104 66.444 32.131 5.371 1.00 0.00 C ATOM 1685 O VAL A 104 66.046 31.262 4.594 1.00 0.00 O ATOM 1686 CB VAL A 104 68.853 32.102 6.024 1.00 0.00 C ATOM 1687 CG1 VAL A 104 70.242 32.639 5.713 1.00 0.00 C ATOM 1688 CG2 VAL A 104 68.529 32.262 7.502 1.00 0.00 C ATOM 0 H VAL A 104 68.175 34.499 6.343 1.00 0.00 H new ATOM 0 HA VAL A 104 68.077 32.729 4.111 1.00 0.00 H new ATOM 0 HB VAL A 104 68.839 31.039 5.785 1.00 0.00 H new ATOM 0 HG11 VAL A 104 70.977 32.127 6.333 1.00 0.00 H new ATOM 0 HG12 VAL A 104 70.471 32.467 4.661 1.00 0.00 H new ATOM 0 HG13 VAL A 104 70.274 33.708 5.921 1.00 0.00 H new ATOM 0 HG21 VAL A 104 69.288 31.756 8.098 1.00 0.00 H new ATOM 0 HG22 VAL A 104 68.513 33.321 7.758 1.00 0.00 H new ATOM 0 HG23 VAL A 104 67.553 31.824 7.710 1.00 0.00 H new ATOM 1698 N LEU A 105 65.745 32.532 6.427 1.00 0.00 N ATOM 1699 CA LEU A 105 64.439 31.963 6.741 1.00 0.00 C ATOM 1700 C LEU A 105 63.387 32.428 5.740 1.00 0.00 C ATOM 1701 O LEU A 105 62.590 31.631 5.245 1.00 0.00 O ATOM 1702 CB LEU A 105 64.018 32.353 8.159 1.00 0.00 C ATOM 1703 CG LEU A 105 64.363 31.350 9.261 1.00 0.00 C ATOM 1704 CD1 LEU A 105 63.459 30.131 9.175 1.00 0.00 C ATOM 1705 CD2 LEU A 105 65.825 30.940 9.170 1.00 0.00 C ATOM 0 H LEU A 105 66.061 33.249 7.080 1.00 0.00 H new ATOM 0 HA LEU A 105 64.519 30.878 6.678 1.00 0.00 H new ATOM 0 HB2 LEU A 105 64.483 33.307 8.405 1.00 0.00 H new ATOM 0 HB3 LEU A 105 62.940 32.513 8.165 1.00 0.00 H new ATOM 0 HG LEU A 105 64.201 31.830 10.226 1.00 0.00 H new ATOM 0 HD11 LEU A 105 63.719 29.428 9.967 1.00 0.00 H new ATOM 0 HD12 LEU A 105 62.420 30.440 9.291 1.00 0.00 H new ATOM 0 HD13 LEU A 105 63.589 29.650 8.206 1.00 0.00 H new ATOM 0 HD21 LEU A 105 66.053 30.226 9.962 1.00 0.00 H new ATOM 0 HD22 LEU A 105 66.014 30.479 8.200 1.00 0.00 H new ATOM 0 HD23 LEU A 105 66.458 31.821 9.283 1.00 0.00 H new ATOM 1717 N ALA A 106 63.392 33.724 5.444 1.00 0.00 N ATOM 1718 CA ALA A 106 62.441 34.295 4.498 1.00 0.00 C ATOM 1719 C ALA A 106 62.629 33.704 3.105 1.00 0.00 C ATOM 1720 O ALA A 106 61.662 33.323 2.446 1.00 0.00 O ATOM 1721 CB ALA A 106 62.584 35.809 4.455 1.00 0.00 C ATOM 0 H ALA A 106 64.044 34.398 5.846 1.00 0.00 H new ATOM 0 HA ALA A 106 61.435 34.045 4.837 1.00 0.00 H new ATOM 0 HB1 ALA A 106 61.868 36.222 3.745 1.00 0.00 H new ATOM 0 HB2 ALA A 106 62.391 36.221 5.446 1.00 0.00 H new ATOM 0 HB3 ALA A 106 63.595 36.070 4.144 1.00 0.00 H new ATOM 1727 N ALA A 107 63.880 33.631 2.663 1.00 0.00 N ATOM 1728 CA ALA A 107 64.195 33.085 1.348 1.00 0.00 C ATOM 1729 C ALA A 107 63.878 31.595 1.283 1.00 0.00 C ATOM 1730 O ALA A 107 63.407 31.097 0.260 1.00 0.00 O ATOM 1731 CB ALA A 107 65.659 33.330 1.012 1.00 0.00 C ATOM 0 H ALA A 107 64.692 33.943 3.196 1.00 0.00 H new ATOM 0 HA ALA A 107 63.574 33.595 0.611 1.00 0.00 H new ATOM 0 HB1 ALA A 107 65.880 32.917 0.028 1.00 0.00 H new ATOM 0 HB2 ALA A 107 65.857 34.402 1.009 1.00 0.00 H new ATOM 0 HB3 ALA A 107 66.289 32.847 1.758 1.00 0.00 H new ATOM 1737 N GLN A 108 64.139 30.890 2.379 1.00 0.00 N ATOM 1738 CA GLN A 108 63.882 29.456 2.443 1.00 0.00 C ATOM 1739 C GLN A 108 62.405 29.157 2.209 1.00 0.00 C ATOM 1740 O GLN A 108 62.055 28.331 1.366 1.00 0.00 O ATOM 1741 CB GLN A 108 64.318 28.899 3.799 1.00 0.00 C ATOM 1742 CG GLN A 108 64.195 27.387 3.904 1.00 0.00 C ATOM 1743 CD GLN A 108 62.775 26.935 4.183 1.00 0.00 C ATOM 1744 OE1 GLN A 108 62.064 27.544 4.982 1.00 0.00 O ATOM 1745 NE2 GLN A 108 62.355 25.862 3.524 1.00 0.00 N ATOM 0 H GLN A 108 64.528 31.288 3.234 1.00 0.00 H new ATOM 0 HA GLN A 108 64.461 28.973 1.656 1.00 0.00 H new ATOM 0 HB2 GLN A 108 65.354 29.185 3.984 1.00 0.00 H new ATOM 0 HB3 GLN A 108 63.716 29.359 4.582 1.00 0.00 H new ATOM 0 HG2 GLN A 108 64.541 26.933 2.976 1.00 0.00 H new ATOM 0 HG3 GLN A 108 64.849 27.027 4.698 1.00 0.00 H new ATOM 0 HE21 GLN A 108 62.979 25.388 2.871 1.00 0.00 H new ATOM 0 HE22 GLN A 108 61.408 25.511 3.671 1.00 0.00 H new ATOM 1754 N ALA A 109 61.542 29.834 2.961 1.00 0.00 N ATOM 1755 CA ALA A 109 60.103 29.641 2.833 1.00 0.00 C ATOM 1756 C ALA A 109 59.602 30.126 1.477 1.00 0.00 C ATOM 1757 O ALA A 109 58.674 29.553 0.906 1.00 0.00 O ATOM 1758 CB ALA A 109 59.373 30.363 3.957 1.00 0.00 C ATOM 0 H ALA A 109 61.815 30.520 3.665 1.00 0.00 H new ATOM 0 HA ALA A 109 59.896 28.573 2.906 1.00 0.00 H new ATOM 0 HB1 ALA A 109 58.299 30.211 3.850 1.00 0.00 H new ATOM 0 HB2 ALA A 109 59.702 29.967 4.918 1.00 0.00 H new ATOM 0 HB3 ALA A 109 59.595 31.429 3.909 1.00 0.00 H new ATOM 1764 N TYR A 110 60.221 31.185 0.968 1.00 0.00 N ATOM 1765 CA TYR A 110 59.835 31.749 -0.321 1.00 0.00 C ATOM 1766 C TYR A 110 60.007 30.724 -1.437 1.00 0.00 C ATOM 1767 O TYR A 110 59.147 30.588 -2.307 1.00 0.00 O ATOM 1768 CB TYR A 110 60.668 32.996 -0.625 1.00 0.00 C ATOM 1769 CG TYR A 110 59.993 34.288 -0.222 1.00 0.00 C ATOM 1770 CD1 TYR A 110 59.371 34.413 1.014 1.00 0.00 C ATOM 1771 CD2 TYR A 110 59.976 35.382 -1.077 1.00 0.00 C ATOM 1772 CE1 TYR A 110 58.752 35.591 1.387 1.00 0.00 C ATOM 1773 CE2 TYR A 110 59.361 36.565 -0.713 1.00 0.00 C ATOM 1774 CZ TYR A 110 58.751 36.664 0.520 1.00 0.00 C ATOM 1775 OH TYR A 110 58.136 37.839 0.886 1.00 0.00 O ATOM 0 H TYR A 110 60.992 31.670 1.427 1.00 0.00 H new ATOM 0 HA TYR A 110 58.782 32.027 -0.267 1.00 0.00 H new ATOM 0 HB2 TYR A 110 61.624 32.919 -0.108 1.00 0.00 H new ATOM 0 HB3 TYR A 110 60.885 33.027 -1.693 1.00 0.00 H new ATOM 0 HD1 TYR A 110 59.371 33.575 1.695 1.00 0.00 H new ATOM 0 HD2 TYR A 110 60.452 35.307 -2.044 1.00 0.00 H new ATOM 0 HE1 TYR A 110 58.272 35.671 2.351 1.00 0.00 H new ATOM 0 HE2 TYR A 110 59.358 37.407 -1.390 1.00 0.00 H new ATOM 0 HH TYR A 110 58.227 38.495 0.163 1.00 0.00 H new ATOM 1785 N TRP A 111 61.124 30.006 -1.405 1.00 0.00 N ATOM 1786 CA TRP A 111 61.410 28.992 -2.414 1.00 0.00 C ATOM 1787 C TRP A 111 60.515 27.772 -2.227 1.00 0.00 C ATOM 1788 O TRP A 111 60.345 26.970 -3.145 1.00 0.00 O ATOM 1789 CB TRP A 111 62.880 28.578 -2.347 1.00 0.00 C ATOM 1790 CG TRP A 111 63.825 29.669 -2.752 1.00 0.00 C ATOM 1791 CD1 TRP A 111 64.899 30.127 -2.045 1.00 0.00 C ATOM 1792 CD2 TRP A 111 63.777 30.439 -3.958 1.00 0.00 C ATOM 1793 NE1 TRP A 111 65.522 31.136 -2.739 1.00 0.00 N ATOM 1794 CE2 TRP A 111 64.854 31.346 -3.916 1.00 0.00 C ATOM 1795 CE3 TRP A 111 62.930 30.450 -5.070 1.00 0.00 C ATOM 1796 CZ2 TRP A 111 65.103 32.253 -4.942 1.00 0.00 C ATOM 1797 CZ3 TRP A 111 63.179 31.351 -6.088 1.00 0.00 C ATOM 1798 CH2 TRP A 111 64.258 32.242 -6.019 1.00 0.00 C ATOM 0 H TRP A 111 61.846 30.107 -0.692 1.00 0.00 H new ATOM 0 HA TRP A 111 61.206 29.422 -3.395 1.00 0.00 H new ATOM 0 HB2 TRP A 111 63.115 28.263 -1.330 1.00 0.00 H new ATOM 0 HB3 TRP A 111 63.036 27.714 -2.993 1.00 0.00 H new ATOM 0 HD1 TRP A 111 65.213 29.752 -1.082 1.00 0.00 H new ATOM 0 HE1 TRP A 111 66.349 31.646 -2.428 1.00 0.00 H new ATOM 0 HE3 TRP A 111 62.096 29.767 -5.133 1.00 0.00 H new ATOM 0 HZ2 TRP A 111 65.934 32.941 -4.890 1.00 0.00 H new ATOM 0 HZ3 TRP A 111 62.531 31.369 -6.952 1.00 0.00 H new ATOM 0 HH2 TRP A 111 64.426 32.934 -6.831 1.00 0.00 H new ATOM 1809 N SER A 112 59.946 27.637 -1.034 1.00 0.00 N ATOM 1810 CA SER A 112 59.072 26.512 -0.726 1.00 0.00 C ATOM 1811 C SER A 112 57.761 26.614 -1.501 1.00 0.00 C ATOM 1812 O SER A 112 56.997 27.564 -1.327 1.00 0.00 O ATOM 1813 CB SER A 112 58.787 26.455 0.776 1.00 0.00 C ATOM 1814 OG SER A 112 58.250 25.197 1.146 1.00 0.00 O ATOM 0 H SER A 112 60.075 28.294 -0.264 1.00 0.00 H new ATOM 0 HA SER A 112 59.581 25.596 -1.026 1.00 0.00 H new ATOM 0 HB2 SER A 112 59.707 26.639 1.331 1.00 0.00 H new ATOM 0 HB3 SER A 112 58.088 27.246 1.047 1.00 0.00 H new ATOM 0 HG SER A 112 58.078 25.186 2.111 1.00 0.00 H new