USER MOD reduce.3.24.130724 H: found=0, std=0, add=616, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 616 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 35 THR OG1 : rot 148:sc= 0.202 USER MOD Single : A 48 HIS : no HD1:sc= -0.229 X(o=-0.23,f=-0.039) USER MOD Single : A 51 THR OG1 : rot -47:sc= 0.933 USER MOD Single : A 58 LYS NZ :NH3+ -163:sc=-0.00304 (180deg=-0.138) 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+ -149:sc= -0.0151 (180deg=-0.514) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 THR OG1 : rot 86:sc= 1.23 USER MOD Single : A 82 HIS : no HD1:sc= -0.698 X(o=-0.7,f=-0.48) USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 SER OG : rot 180:sc= -0.057 USER MOD Single : A 89 GLN : amide:sc= 0 X(o=0,f=-0.069) USER MOD Single : A 90 GLN : amide:sc= -0.296 X(o=-0.3,f=-0.0083) USER MOD Single : A 98 GLN : amide:sc= -0.0501 X(o=-0.05,f=0) USER MOD Single : A 108 GLN : amide:sc= -1.62! C(o=-1.6!,f=-2.1!) 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 80.576 31.211 12.236 1.00 0.00 N ATOM 527 CA PHE A 34 80.772 31.597 10.844 1.00 0.00 C ATOM 528 C PHE A 34 80.911 33.111 10.713 1.00 0.00 C ATOM 529 O PHE A 34 80.552 33.860 11.622 1.00 0.00 O ATOM 530 CB PHE A 34 79.603 31.105 9.987 1.00 0.00 C ATOM 531 CG PHE A 34 79.385 29.621 10.065 1.00 0.00 C ATOM 532 CD1 PHE A 34 80.460 28.748 10.037 1.00 0.00 C ATOM 533 CD2 PHE A 34 78.106 29.100 10.168 1.00 0.00 C ATOM 534 CE1 PHE A 34 80.262 27.382 10.108 1.00 0.00 C ATOM 535 CE2 PHE A 34 77.902 27.735 10.240 1.00 0.00 C ATOM 536 CZ PHE A 34 78.982 26.875 10.211 1.00 0.00 C ATOM 0 HA PHE A 34 81.693 31.134 10.491 1.00 0.00 H new ATOM 0 HB2 PHE A 34 78.692 31.615 10.302 1.00 0.00 H new ATOM 0 HB3 PHE A 34 79.782 31.384 8.949 1.00 0.00 H new ATOM 0 HD1 PHE A 34 81.464 29.139 9.959 1.00 0.00 H new ATOM 0 HD2 PHE A 34 77.258 29.768 10.192 1.00 0.00 H new ATOM 0 HE1 PHE A 34 81.108 26.711 10.083 1.00 0.00 H new ATOM 0 HE2 PHE A 34 76.899 27.341 10.319 1.00 0.00 H new ATOM 0 HZ PHE A 34 78.826 25.808 10.269 1.00 0.00 H new ATOM 546 N THR A 35 81.436 33.555 9.575 1.00 0.00 N ATOM 547 CA THR A 35 81.625 34.978 9.325 1.00 0.00 C ATOM 548 C THR A 35 80.446 35.563 8.556 1.00 0.00 C ATOM 549 O THR A 35 79.926 34.940 7.630 1.00 0.00 O ATOM 550 CB THR A 35 82.921 35.242 8.535 1.00 0.00 C ATOM 551 OG1 THR A 35 83.883 34.219 8.815 1.00 0.00 O ATOM 552 CG2 THR A 35 83.503 36.603 8.889 1.00 0.00 C ATOM 0 H THR A 35 81.738 32.949 8.812 1.00 0.00 H new ATOM 0 HA THR A 35 81.696 35.463 10.298 1.00 0.00 H new ATOM 0 HB THR A 35 82.680 35.232 7.472 1.00 0.00 H new ATOM 0 HG1 THR A 35 84.439 34.067 8.022 1.00 0.00 H new ATOM 0 HG21 THR A 35 84.417 36.767 8.319 1.00 0.00 H new ATOM 0 HG22 THR A 35 82.780 37.382 8.647 1.00 0.00 H new ATOM 0 HG23 THR A 35 83.729 36.636 9.955 1.00 0.00 H new ATOM 560 N VAL A 36 80.028 36.763 8.945 1.00 0.00 N ATOM 561 CA VAL A 36 78.911 37.433 8.290 1.00 0.00 C ATOM 562 C VAL A 36 79.093 37.453 6.777 1.00 0.00 C ATOM 563 O VAL A 36 78.131 37.302 6.024 1.00 0.00 O ATOM 564 CB VAL A 36 78.748 38.878 8.797 1.00 0.00 C ATOM 565 CG1 VAL A 36 80.029 39.668 8.578 1.00 0.00 C ATOM 566 CG2 VAL A 36 77.571 39.554 8.109 1.00 0.00 C ATOM 0 H VAL A 36 80.446 37.291 9.711 1.00 0.00 H new ATOM 0 HA VAL A 36 78.013 36.867 8.537 1.00 0.00 H new ATOM 0 HB VAL A 36 78.546 38.849 9.868 1.00 0.00 H new ATOM 0 HG11 VAL A 36 79.895 40.687 8.942 1.00 0.00 H new ATOM 0 HG12 VAL A 36 80.847 39.193 9.120 1.00 0.00 H new ATOM 0 HG13 VAL A 36 80.265 39.691 7.514 1.00 0.00 H new ATOM 0 HG21 VAL A 36 77.470 40.574 8.479 1.00 0.00 H new ATOM 0 HG22 VAL A 36 77.741 39.574 7.033 1.00 0.00 H new ATOM 0 HG23 VAL A 36 76.657 38.999 8.322 1.00 0.00 H new ATOM 576 N ALA A 37 80.333 37.641 6.338 1.00 0.00 N ATOM 577 CA ALA A 37 80.642 37.679 4.914 1.00 0.00 C ATOM 578 C ALA A 37 80.571 36.285 4.300 1.00 0.00 C ATOM 579 O ALA A 37 79.974 36.094 3.241 1.00 0.00 O ATOM 580 CB ALA A 37 82.018 38.288 4.689 1.00 0.00 C ATOM 0 H ALA A 37 81.140 37.769 6.948 1.00 0.00 H new ATOM 0 HA ALA A 37 79.896 38.303 4.421 1.00 0.00 H new ATOM 0 HB1 ALA A 37 82.236 38.310 3.621 1.00 0.00 H new ATOM 0 HB2 ALA A 37 82.035 39.304 5.084 1.00 0.00 H new ATOM 0 HB3 ALA A 37 82.770 37.687 5.200 1.00 0.00 H new ATOM 586 N GLU A 38 81.185 35.316 4.970 1.00 0.00 N ATOM 587 CA GLU A 38 81.192 33.940 4.488 1.00 0.00 C ATOM 588 C GLU A 38 79.770 33.402 4.356 1.00 0.00 C ATOM 589 O GLU A 38 79.400 32.841 3.325 1.00 0.00 O ATOM 590 CB GLU A 38 82.001 33.048 5.433 1.00 0.00 C ATOM 591 CG GLU A 38 83.483 32.999 5.103 1.00 0.00 C ATOM 592 CD GLU A 38 84.105 34.378 5.001 1.00 0.00 C ATOM 593 OE1 GLU A 38 84.484 34.938 6.050 1.00 0.00 O ATOM 594 OE2 GLU A 38 84.211 34.897 3.870 1.00 0.00 O ATOM 0 H GLU A 38 81.684 35.458 5.848 1.00 0.00 H new ATOM 0 HA GLU A 38 81.659 33.930 3.503 1.00 0.00 H new ATOM 0 HB2 GLU A 38 81.876 33.408 6.454 1.00 0.00 H new ATOM 0 HB3 GLU A 38 81.596 32.036 5.400 1.00 0.00 H new ATOM 0 HG2 GLU A 38 84.003 32.426 5.870 1.00 0.00 H new ATOM 0 HG3 GLU A 38 83.624 32.471 4.160 1.00 0.00 H new ATOM 601 N VAL A 39 78.978 33.577 5.409 1.00 0.00 N ATOM 602 CA VAL A 39 77.597 33.111 5.412 1.00 0.00 C ATOM 603 C VAL A 39 76.760 33.865 4.386 1.00 0.00 C ATOM 604 O VAL A 39 75.921 33.278 3.703 1.00 0.00 O ATOM 605 CB VAL A 39 76.953 33.272 6.802 1.00 0.00 C ATOM 606 CG1 VAL A 39 75.490 32.856 6.765 1.00 0.00 C ATOM 607 CG2 VAL A 39 77.719 32.467 7.841 1.00 0.00 C ATOM 0 H VAL A 39 79.269 34.038 6.271 1.00 0.00 H new ATOM 0 HA VAL A 39 77.620 32.053 5.151 1.00 0.00 H new ATOM 0 HB VAL A 39 76.999 34.324 7.085 1.00 0.00 H new ATOM 0 HG11 VAL A 39 75.052 32.977 7.756 1.00 0.00 H new ATOM 0 HG12 VAL A 39 74.952 33.481 6.052 1.00 0.00 H new ATOM 0 HG13 VAL A 39 75.416 31.812 6.460 1.00 0.00 H new ATOM 0 HG21 VAL A 39 77.250 32.593 8.817 1.00 0.00 H new ATOM 0 HG22 VAL A 39 77.707 31.412 7.566 1.00 0.00 H new ATOM 0 HG23 VAL A 39 78.750 32.818 7.886 1.00 0.00 H new ATOM 617 N GLU A 40 76.994 35.170 4.283 1.00 0.00 N ATOM 618 CA GLU A 40 76.260 36.005 3.339 1.00 0.00 C ATOM 619 C GLU A 40 76.464 35.516 1.908 1.00 0.00 C ATOM 620 O GLU A 40 75.500 35.284 1.176 1.00 0.00 O ATOM 621 CB GLU A 40 76.707 37.463 3.459 1.00 0.00 C ATOM 622 CG GLU A 40 75.892 38.269 4.456 1.00 0.00 C ATOM 623 CD GLU A 40 76.548 39.588 4.816 1.00 0.00 C ATOM 624 OE1 GLU A 40 77.643 39.870 4.284 1.00 0.00 O ATOM 625 OE2 GLU A 40 75.968 40.338 5.628 1.00 0.00 O ATOM 0 H GLU A 40 77.685 35.671 4.841 1.00 0.00 H new ATOM 0 HA GLU A 40 75.199 35.936 3.581 1.00 0.00 H new ATOM 0 HB2 GLU A 40 77.756 37.490 3.754 1.00 0.00 H new ATOM 0 HB3 GLU A 40 76.639 37.937 2.480 1.00 0.00 H new ATOM 0 HG2 GLU A 40 74.903 38.461 4.040 1.00 0.00 H new ATOM 0 HG3 GLU A 40 75.748 37.680 5.362 1.00 0.00 H new ATOM 632 N LEU A 41 77.723 35.361 1.515 1.00 0.00 N ATOM 633 CA LEU A 41 78.055 34.900 0.171 1.00 0.00 C ATOM 634 C LEU A 41 77.509 33.497 -0.073 1.00 0.00 C ATOM 635 O LEU A 41 76.878 33.234 -1.097 1.00 0.00 O ATOM 636 CB LEU A 41 79.571 34.913 -0.034 1.00 0.00 C ATOM 637 CG LEU A 41 80.262 36.264 0.152 1.00 0.00 C ATOM 638 CD1 LEU A 41 81.683 36.071 0.658 1.00 0.00 C ATOM 639 CD2 LEU A 41 80.260 37.048 -1.152 1.00 0.00 C ATOM 0 H LEU A 41 78.532 35.548 2.108 1.00 0.00 H new ATOM 0 HA LEU A 41 77.592 35.580 -0.545 1.00 0.00 H new ATOM 0 HB2 LEU A 41 80.017 34.201 0.660 1.00 0.00 H new ATOM 0 HB3 LEU A 41 79.784 34.554 -1.041 1.00 0.00 H new ATOM 0 HG LEU A 41 79.707 36.835 0.897 1.00 0.00 H new ATOM 0 HD11 LEU A 41 82.159 37.043 0.785 1.00 0.00 H new ATOM 0 HD12 LEU A 41 81.661 35.550 1.615 1.00 0.00 H new ATOM 0 HD13 LEU A 41 82.249 35.481 -0.063 1.00 0.00 H new ATOM 0 HD21 LEU A 41 80.756 38.007 -1.001 1.00 0.00 H new ATOM 0 HD22 LEU A 41 80.790 36.482 -1.918 1.00 0.00 H new ATOM 0 HD23 LEU A 41 79.232 37.218 -1.473 1.00 0.00 H new ATOM 651 N LEU A 42 77.754 32.599 0.875 1.00 0.00 N ATOM 652 CA LEU A 42 77.285 31.222 0.764 1.00 0.00 C ATOM 653 C LEU A 42 75.771 31.175 0.591 1.00 0.00 C ATOM 654 O LEU A 42 75.262 30.579 -0.359 1.00 0.00 O ATOM 655 CB LEU A 42 77.693 30.422 2.003 1.00 0.00 C ATOM 656 CG LEU A 42 76.729 29.317 2.436 1.00 0.00 C ATOM 657 CD1 LEU A 42 76.557 28.294 1.324 1.00 0.00 C ATOM 658 CD2 LEU A 42 77.224 28.646 3.709 1.00 0.00 C ATOM 0 H LEU A 42 78.275 32.800 1.729 1.00 0.00 H new ATOM 0 HA LEU A 42 77.747 30.777 -0.117 1.00 0.00 H new ATOM 0 HB2 LEU A 42 78.668 29.973 1.816 1.00 0.00 H new ATOM 0 HB3 LEU A 42 77.816 31.116 2.835 1.00 0.00 H new ATOM 0 HG LEU A 42 75.758 29.768 2.641 1.00 0.00 H new ATOM 0 HD11 LEU A 42 75.868 27.515 1.650 1.00 0.00 H new ATOM 0 HD12 LEU A 42 76.157 28.785 0.437 1.00 0.00 H new ATOM 0 HD13 LEU A 42 77.523 27.848 1.087 1.00 0.00 H new ATOM 0 HD21 LEU A 42 76.526 27.862 4.002 1.00 0.00 H new ATOM 0 HD22 LEU A 42 78.206 28.209 3.531 1.00 0.00 H new ATOM 0 HD23 LEU A 42 77.295 29.386 4.506 1.00 0.00 H new ATOM 670 N VAL A 43 75.054 31.809 1.514 1.00 0.00 N ATOM 671 CA VAL A 43 73.598 31.843 1.461 1.00 0.00 C ATOM 672 C VAL A 43 73.109 32.597 0.230 1.00 0.00 C ATOM 673 O VAL A 43 72.026 32.325 -0.287 1.00 0.00 O ATOM 674 CB VAL A 43 73.006 32.501 2.721 1.00 0.00 C ATOM 675 CG1 VAL A 43 71.487 32.541 2.640 1.00 0.00 C ATOM 676 CG2 VAL A 43 73.462 31.764 3.972 1.00 0.00 C ATOM 0 H VAL A 43 75.459 32.306 2.307 1.00 0.00 H new ATOM 0 HA VAL A 43 73.260 30.808 1.407 1.00 0.00 H new ATOM 0 HB VAL A 43 73.370 33.527 2.778 1.00 0.00 H new ATOM 0 HG11 VAL A 43 71.087 33.009 3.539 1.00 0.00 H new ATOM 0 HG12 VAL A 43 71.184 33.117 1.765 1.00 0.00 H new ATOM 0 HG13 VAL A 43 71.100 31.525 2.557 1.00 0.00 H new ATOM 0 HG21 VAL A 43 73.034 32.243 4.853 1.00 0.00 H new ATOM 0 HG22 VAL A 43 73.129 30.727 3.925 1.00 0.00 H new ATOM 0 HG23 VAL A 43 74.550 31.794 4.036 1.00 0.00 H new ATOM 686 N GLU A 44 73.916 33.546 -0.235 1.00 0.00 N ATOM 687 CA GLU A 44 73.565 34.340 -1.407 1.00 0.00 C ATOM 688 C GLU A 44 73.701 33.515 -2.684 1.00 0.00 C ATOM 689 O GLU A 44 73.013 33.764 -3.673 1.00 0.00 O ATOM 690 CB GLU A 44 74.453 35.583 -1.493 1.00 0.00 C ATOM 691 CG GLU A 44 74.233 36.402 -2.753 1.00 0.00 C ATOM 692 CD GLU A 44 75.064 37.671 -2.777 1.00 0.00 C ATOM 693 OE1 GLU A 44 76.299 37.573 -2.618 1.00 0.00 O ATOM 694 OE2 GLU A 44 74.479 38.760 -2.953 1.00 0.00 O ATOM 0 H GLU A 44 74.816 33.783 0.182 1.00 0.00 H new ATOM 0 HA GLU A 44 72.525 34.651 -1.305 1.00 0.00 H new ATOM 0 HB2 GLU A 44 74.267 36.213 -0.623 1.00 0.00 H new ATOM 0 HB3 GLU A 44 75.498 35.277 -1.447 1.00 0.00 H new ATOM 0 HG2 GLU A 44 74.479 35.795 -3.624 1.00 0.00 H new ATOM 0 HG3 GLU A 44 73.177 36.662 -2.833 1.00 0.00 H new ATOM 701 N ALA A 45 74.595 32.532 -2.654 1.00 0.00 N ATOM 702 CA ALA A 45 74.821 31.670 -3.807 1.00 0.00 C ATOM 703 C ALA A 45 73.688 30.663 -3.970 1.00 0.00 C ATOM 704 O ALA A 45 73.141 30.500 -5.061 1.00 0.00 O ATOM 705 CB ALA A 45 76.155 30.949 -3.674 1.00 0.00 C ATOM 0 H ALA A 45 75.174 32.313 -1.844 1.00 0.00 H new ATOM 0 HA ALA A 45 74.846 32.297 -4.698 1.00 0.00 H new ATOM 0 HB1 ALA A 45 76.311 30.309 -4.542 1.00 0.00 H new ATOM 0 HB2 ALA A 45 76.960 31.681 -3.614 1.00 0.00 H new ATOM 0 HB3 ALA A 45 76.151 30.340 -2.770 1.00 0.00 H new ATOM 711 N VAL A 46 73.339 29.989 -2.879 1.00 0.00 N ATOM 712 CA VAL A 46 72.270 28.998 -2.901 1.00 0.00 C ATOM 713 C VAL A 46 70.913 29.659 -3.113 1.00 0.00 C ATOM 714 O VAL A 46 70.012 29.071 -3.712 1.00 0.00 O ATOM 715 CB VAL A 46 72.233 28.183 -1.595 1.00 0.00 C ATOM 716 CG1 VAL A 46 72.229 29.108 -0.388 1.00 0.00 C ATOM 717 CG2 VAL A 46 71.022 27.263 -1.576 1.00 0.00 C ATOM 0 H VAL A 46 73.781 30.111 -1.968 1.00 0.00 H new ATOM 0 HA VAL A 46 72.478 28.326 -3.734 1.00 0.00 H new ATOM 0 HB VAL A 46 73.130 27.566 -1.546 1.00 0.00 H new ATOM 0 HG11 VAL A 46 72.203 28.514 0.526 1.00 0.00 H new ATOM 0 HG12 VAL A 46 73.130 29.721 -0.396 1.00 0.00 H new ATOM 0 HG13 VAL A 46 71.351 29.753 -0.427 1.00 0.00 H new ATOM 0 HG21 VAL A 46 71.012 26.695 -0.646 1.00 0.00 H new ATOM 0 HG22 VAL A 46 70.112 27.858 -1.648 1.00 0.00 H new ATOM 0 HG23 VAL A 46 71.074 26.576 -2.421 1.00 0.00 H new ATOM 727 N GLU A 47 70.774 30.885 -2.619 1.00 0.00 N ATOM 728 CA GLU A 47 69.525 31.626 -2.755 1.00 0.00 C ATOM 729 C GLU A 47 69.319 32.086 -4.195 1.00 0.00 C ATOM 730 O GLU A 47 68.240 31.916 -4.765 1.00 0.00 O ATOM 731 CB GLU A 47 69.518 32.834 -1.816 1.00 0.00 C ATOM 732 CG GLU A 47 68.929 32.538 -0.447 1.00 0.00 C ATOM 733 CD GLU A 47 69.144 31.100 -0.019 1.00 0.00 C ATOM 734 OE1 GLU A 47 68.302 30.245 -0.365 1.00 0.00 O ATOM 735 OE2 GLU A 47 70.155 30.829 0.664 1.00 0.00 O ATOM 0 H GLU A 47 71.510 31.386 -2.121 1.00 0.00 H new ATOM 0 HA GLU A 47 68.706 30.960 -2.484 1.00 0.00 H new ATOM 0 HB2 GLU A 47 70.540 33.193 -1.693 1.00 0.00 H new ATOM 0 HB3 GLU A 47 68.950 33.641 -2.280 1.00 0.00 H new ATOM 0 HG2 GLU A 47 69.379 33.204 0.290 1.00 0.00 H new ATOM 0 HG3 GLU A 47 67.861 32.753 -0.461 1.00 0.00 H new ATOM 742 N HIS A 48 70.361 32.669 -4.779 1.00 0.00 N ATOM 743 CA HIS A 48 70.296 33.154 -6.153 1.00 0.00 C ATOM 744 C HIS A 48 69.783 32.064 -7.090 1.00 0.00 C ATOM 745 O HIS A 48 69.177 32.353 -8.122 1.00 0.00 O ATOM 746 CB HIS A 48 71.673 33.632 -6.614 1.00 0.00 C ATOM 747 CG HIS A 48 71.727 35.096 -6.923 1.00 0.00 C ATOM 748 ND1 HIS A 48 72.816 35.888 -6.629 1.00 0.00 N ATOM 749 CD2 HIS A 48 70.817 35.911 -7.507 1.00 0.00 C ATOM 750 CE1 HIS A 48 72.573 37.128 -7.016 1.00 0.00 C ATOM 751 NE2 HIS A 48 71.367 37.168 -7.553 1.00 0.00 N ATOM 0 H HIS A 48 71.261 32.817 -4.322 1.00 0.00 H new ATOM 0 HA HIS A 48 69.600 33.992 -6.183 1.00 0.00 H new ATOM 0 HB2 HIS A 48 72.405 33.406 -5.839 1.00 0.00 H new ATOM 0 HB3 HIS A 48 71.965 33.071 -7.502 1.00 0.00 H new ATOM 0 HD2 HIS A 48 69.840 35.625 -7.869 1.00 0.00 H new ATOM 0 HE1 HIS A 48 73.246 37.966 -6.911 1.00 0.00 H new ATOM 0 HE2 HIS A 48 70.917 37.998 -7.939 1.00 0.00 H new ATOM 759 N LEU A 49 70.030 30.811 -6.723 1.00 0.00 N ATOM 760 CA LEU A 49 69.594 29.678 -7.531 1.00 0.00 C ATOM 761 C LEU A 49 68.412 28.967 -6.880 1.00 0.00 C ATOM 762 O LEU A 49 67.762 28.126 -7.499 1.00 0.00 O ATOM 763 CB LEU A 49 70.748 28.694 -7.730 1.00 0.00 C ATOM 764 CG LEU A 49 72.085 29.304 -8.151 1.00 0.00 C ATOM 765 CD1 LEU A 49 73.242 28.468 -7.626 1.00 0.00 C ATOM 766 CD2 LEU A 49 72.161 29.431 -9.666 1.00 0.00 C ATOM 0 H LEU A 49 70.530 30.554 -5.872 1.00 0.00 H new ATOM 0 HA LEU A 49 69.276 30.058 -8.502 1.00 0.00 H new ATOM 0 HB2 LEU A 49 70.898 28.148 -6.799 1.00 0.00 H new ATOM 0 HB3 LEU A 49 70.451 27.964 -8.483 1.00 0.00 H new ATOM 0 HG LEU A 49 72.159 30.302 -7.719 1.00 0.00 H new ATOM 0 HD11 LEU A 49 74.186 28.917 -7.936 1.00 0.00 H new ATOM 0 HD12 LEU A 49 73.198 28.429 -6.538 1.00 0.00 H new ATOM 0 HD13 LEU A 49 73.172 27.457 -8.028 1.00 0.00 H new ATOM 0 HD21 LEU A 49 73.120 29.867 -9.947 1.00 0.00 H new ATOM 0 HD22 LEU A 49 72.064 28.444 -10.119 1.00 0.00 H new ATOM 0 HD23 LEU A 49 71.353 30.073 -10.018 1.00 0.00 H new ATOM 778 N GLY A 50 68.137 29.315 -5.626 1.00 0.00 N ATOM 779 CA GLY A 50 67.031 28.703 -4.912 1.00 0.00 C ATOM 780 C GLY A 50 67.199 27.204 -4.759 1.00 0.00 C ATOM 781 O GLY A 50 67.982 26.739 -3.930 1.00 0.00 O ATOM 0 H GLY A 50 68.660 30.009 -5.092 1.00 0.00 H new ATOM 0 HA2 GLY A 50 66.943 29.158 -3.926 1.00 0.00 H new ATOM 0 HA3 GLY A 50 66.101 28.909 -5.442 1.00 0.00 H new ATOM 785 N THR A 51 66.460 26.443 -5.561 1.00 0.00 N ATOM 786 CA THR A 51 66.527 24.988 -5.509 1.00 0.00 C ATOM 787 C THR A 51 67.269 24.429 -6.718 1.00 0.00 C ATOM 788 O THR A 51 66.941 23.354 -7.218 1.00 0.00 O ATOM 789 CB THR A 51 65.121 24.361 -5.450 1.00 0.00 C ATOM 790 OG1 THR A 51 65.223 22.942 -5.293 1.00 0.00 O ATOM 791 CG2 THR A 51 64.333 24.682 -6.711 1.00 0.00 C ATOM 0 H THR A 51 65.808 26.811 -6.254 1.00 0.00 H new ATOM 0 HA THR A 51 67.070 24.730 -4.600 1.00 0.00 H new ATOM 0 HB THR A 51 64.595 24.783 -4.594 1.00 0.00 H new ATOM 0 HG1 THR A 51 65.877 22.588 -5.932 1.00 0.00 H new ATOM 0 HG21 THR A 51 63.344 24.229 -6.647 1.00 0.00 H new ATOM 0 HG22 THR A 51 64.232 25.763 -6.811 1.00 0.00 H new ATOM 0 HG23 THR A 51 64.858 24.285 -7.579 1.00 0.00 H new ATOM 799 N GLY A 52 68.274 25.166 -7.183 1.00 0.00 N ATOM 800 CA GLY A 52 69.047 24.727 -8.330 1.00 0.00 C ATOM 801 C GLY A 52 69.929 23.535 -8.012 1.00 0.00 C ATOM 802 O GLY A 52 69.432 22.437 -7.761 1.00 0.00 O ATOM 0 H GLY A 52 68.566 26.059 -6.786 1.00 0.00 H new ATOM 0 HA2 GLY A 52 68.369 24.467 -9.143 1.00 0.00 H new ATOM 0 HA3 GLY A 52 69.668 25.551 -8.683 1.00 0.00 H new ATOM 806 N ARG A 53 71.240 23.751 -8.025 1.00 0.00 N ATOM 807 CA ARG A 53 72.192 22.685 -7.740 1.00 0.00 C ATOM 808 C ARG A 53 73.310 23.185 -6.829 1.00 0.00 C ATOM 809 O ARG A 53 73.802 24.302 -6.989 1.00 0.00 O ATOM 810 CB ARG A 53 72.785 22.139 -9.040 1.00 0.00 C ATOM 811 CG ARG A 53 71.854 21.195 -9.784 1.00 0.00 C ATOM 812 CD ARG A 53 72.233 19.741 -9.551 1.00 0.00 C ATOM 813 NE ARG A 53 71.768 18.874 -10.630 1.00 0.00 N ATOM 814 CZ ARG A 53 72.337 18.824 -11.829 1.00 0.00 C ATOM 815 NH1 ARG A 53 73.387 19.587 -12.101 1.00 0.00 N ATOM 816 NH2 ARG A 53 71.857 18.010 -12.760 1.00 0.00 N ATOM 0 H ARG A 53 71.667 24.654 -8.230 1.00 0.00 H new ATOM 0 HA ARG A 53 71.659 21.884 -7.228 1.00 0.00 H new ATOM 0 HB2 ARG A 53 73.039 22.974 -9.693 1.00 0.00 H new ATOM 0 HB3 ARG A 53 73.714 21.616 -8.814 1.00 0.00 H new ATOM 0 HG2 ARG A 53 70.828 21.362 -9.457 1.00 0.00 H new ATOM 0 HG3 ARG A 53 71.888 21.415 -10.851 1.00 0.00 H new ATOM 0 HD2 ARG A 53 73.316 19.659 -9.461 1.00 0.00 H new ATOM 0 HD3 ARG A 53 71.808 19.403 -8.606 1.00 0.00 H new ATOM 0 HE ARG A 53 70.962 18.274 -10.453 1.00 0.00 H new ATOM 0 HH11 ARG A 53 73.760 20.214 -11.388 1.00 0.00 H new ATOM 0 HH12 ARG A 53 73.822 19.546 -13.023 1.00 0.00 H new ATOM 0 HH21 ARG A 53 71.050 17.421 -12.556 1.00 0.00 H new ATOM 0 HH22 ARG A 53 72.295 17.973 -13.680 1.00 0.00 H new ATOM 830 N TRP A 54 73.706 22.350 -5.875 1.00 0.00 N ATOM 831 CA TRP A 54 74.766 22.707 -4.939 1.00 0.00 C ATOM 832 C TRP A 54 76.019 23.159 -5.681 1.00 0.00 C ATOM 833 O TRP A 54 76.724 24.064 -5.235 1.00 0.00 O ATOM 834 CB TRP A 54 75.095 21.521 -4.032 1.00 0.00 C ATOM 835 CG TRP A 54 75.056 20.201 -4.742 1.00 0.00 C ATOM 836 CD1 TRP A 54 75.947 19.744 -5.671 1.00 0.00 C ATOM 837 CD2 TRP A 54 74.076 19.171 -4.583 1.00 0.00 C ATOM 838 NE1 TRP A 54 75.580 18.491 -6.099 1.00 0.00 N ATOM 839 CE2 TRP A 54 74.435 18.117 -5.446 1.00 0.00 C ATOM 840 CE3 TRP A 54 72.930 19.034 -3.794 1.00 0.00 C ATOM 841 CZ2 TRP A 54 73.689 16.945 -5.540 1.00 0.00 C ATOM 842 CZ3 TRP A 54 72.190 17.871 -3.890 1.00 0.00 C ATOM 843 CH2 TRP A 54 72.572 16.839 -4.757 1.00 0.00 C ATOM 0 H TRP A 54 73.309 21.422 -5.729 1.00 0.00 H new ATOM 0 HA TRP A 54 74.411 23.536 -4.326 1.00 0.00 H new ATOM 0 HB2 TRP A 54 76.086 21.665 -3.603 1.00 0.00 H new ATOM 0 HB3 TRP A 54 74.388 21.500 -3.202 1.00 0.00 H new ATOM 0 HD1 TRP A 54 76.813 20.288 -6.018 1.00 0.00 H new ATOM 0 HE1 TRP A 54 76.079 17.931 -6.790 1.00 0.00 H new ATOM 0 HE3 TRP A 54 72.628 19.823 -3.121 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 73.982 16.148 -6.207 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 71.302 17.756 -3.286 1.00 0.00 H new ATOM 0 HH2 TRP A 54 71.973 15.942 -4.808 1.00 0.00 H new ATOM 854 N ARG A 55 76.291 22.522 -6.816 1.00 0.00 N ATOM 855 CA ARG A 55 77.460 22.859 -7.619 1.00 0.00 C ATOM 856 C ARG A 55 77.316 24.247 -8.235 1.00 0.00 C ATOM 857 O ARG A 55 78.308 24.920 -8.514 1.00 0.00 O ATOM 858 CB ARG A 55 77.663 21.819 -8.723 1.00 0.00 C ATOM 859 CG ARG A 55 78.900 22.064 -9.571 1.00 0.00 C ATOM 860 CD ARG A 55 79.082 20.978 -10.619 1.00 0.00 C ATOM 861 NE ARG A 55 80.263 21.208 -11.447 1.00 0.00 N ATOM 862 CZ ARG A 55 80.464 20.618 -12.620 1.00 0.00 C ATOM 863 NH1 ARG A 55 79.567 19.767 -13.100 1.00 0.00 N ATOM 864 NH2 ARG A 55 81.563 20.880 -13.316 1.00 0.00 N ATOM 0 H ARG A 55 75.718 21.770 -7.199 1.00 0.00 H new ATOM 0 HA ARG A 55 78.331 22.860 -6.964 1.00 0.00 H new ATOM 0 HB2 ARG A 55 77.733 20.830 -8.270 1.00 0.00 H new ATOM 0 HB3 ARG A 55 76.785 21.812 -9.369 1.00 0.00 H new ATOM 0 HG2 ARG A 55 78.820 23.034 -10.061 1.00 0.00 H new ATOM 0 HG3 ARG A 55 79.780 22.103 -8.929 1.00 0.00 H new ATOM 0 HD2 ARG A 55 79.168 20.010 -10.126 1.00 0.00 H new ATOM 0 HD3 ARG A 55 78.197 20.935 -11.254 1.00 0.00 H new ATOM 0 HE ARG A 55 80.972 21.857 -11.106 1.00 0.00 H new ATOM 0 HH11 ARG A 55 78.721 19.564 -12.568 1.00 0.00 H new ATOM 0 HH12 ARG A 55 79.724 19.315 -14.001 1.00 0.00 H new ATOM 0 HH21 ARG A 55 82.254 21.535 -12.950 1.00 0.00 H new ATOM 0 HH22 ARG A 55 81.717 20.426 -14.217 1.00 0.00 H new ATOM 878 N ASP A 56 76.074 24.670 -8.444 1.00 0.00 N ATOM 879 CA ASP A 56 75.799 25.978 -9.026 1.00 0.00 C ATOM 880 C ASP A 56 76.040 27.088 -8.007 1.00 0.00 C ATOM 881 O ASP A 56 76.482 28.182 -8.358 1.00 0.00 O ATOM 882 CB ASP A 56 74.358 26.041 -9.536 1.00 0.00 C ATOM 883 CG ASP A 56 74.135 27.190 -10.499 1.00 0.00 C ATOM 884 OD1 ASP A 56 74.942 28.143 -10.484 1.00 0.00 O ATOM 885 OD2 ASP A 56 73.154 27.136 -11.269 1.00 0.00 O ATOM 0 H ASP A 56 75.241 24.125 -8.219 1.00 0.00 H new ATOM 0 HA ASP A 56 76.480 26.125 -9.865 1.00 0.00 H new ATOM 0 HB2 ASP A 56 74.109 25.102 -10.031 1.00 0.00 H new ATOM 0 HB3 ASP A 56 73.680 26.144 -8.689 1.00 0.00 H new ATOM 890 N VAL A 57 75.746 26.798 -6.744 1.00 0.00 N ATOM 891 CA VAL A 57 75.930 27.771 -5.673 1.00 0.00 C ATOM 892 C VAL A 57 77.407 27.947 -5.340 1.00 0.00 C ATOM 893 O VAL A 57 77.853 29.045 -5.004 1.00 0.00 O ATOM 894 CB VAL A 57 75.174 27.353 -4.398 1.00 0.00 C ATOM 895 CG1 VAL A 57 73.978 26.480 -4.749 1.00 0.00 C ATOM 896 CG2 VAL A 57 76.107 26.631 -3.438 1.00 0.00 C ATOM 0 H VAL A 57 75.379 25.897 -6.437 1.00 0.00 H new ATOM 0 HA VAL A 57 75.525 28.717 -6.032 1.00 0.00 H new ATOM 0 HB VAL A 57 74.806 28.252 -3.904 1.00 0.00 H new ATOM 0 HG11 VAL A 57 73.456 26.194 -3.836 1.00 0.00 H new ATOM 0 HG12 VAL A 57 73.299 27.036 -5.396 1.00 0.00 H new ATOM 0 HG13 VAL A 57 74.321 25.584 -5.267 1.00 0.00 H new ATOM 0 HG21 VAL A 57 75.556 26.343 -2.543 1.00 0.00 H new ATOM 0 HG22 VAL A 57 76.507 25.739 -3.921 1.00 0.00 H new ATOM 0 HG23 VAL A 57 76.928 27.293 -3.162 1.00 0.00 H new ATOM 906 N LYS A 58 78.164 26.859 -5.435 1.00 0.00 N ATOM 907 CA LYS A 58 79.592 26.892 -5.145 1.00 0.00 C ATOM 908 C LYS A 58 80.363 27.557 -6.282 1.00 0.00 C ATOM 909 O LYS A 58 81.380 28.212 -6.055 1.00 0.00 O ATOM 910 CB LYS A 58 80.121 25.474 -4.918 1.00 0.00 C ATOM 911 CG LYS A 58 80.385 24.710 -6.204 1.00 0.00 C ATOM 912 CD LYS A 58 81.162 23.431 -5.943 1.00 0.00 C ATOM 913 CE LYS A 58 82.659 23.644 -6.109 1.00 0.00 C ATOM 914 NZ LYS A 58 83.040 23.811 -7.538 1.00 0.00 N ATOM 0 H LYS A 58 77.811 25.943 -5.711 1.00 0.00 H new ATOM 0 HA LYS A 58 79.739 27.478 -4.238 1.00 0.00 H new ATOM 0 HB2 LYS A 58 81.044 25.528 -4.341 1.00 0.00 H new ATOM 0 HB3 LYS A 58 79.401 24.919 -4.317 1.00 0.00 H new ATOM 0 HG2 LYS A 58 79.438 24.469 -6.686 1.00 0.00 H new ATOM 0 HG3 LYS A 58 80.943 25.341 -6.895 1.00 0.00 H new ATOM 0 HD2 LYS A 58 80.954 23.077 -4.933 1.00 0.00 H new ATOM 0 HD3 LYS A 58 80.826 22.653 -6.629 1.00 0.00 H new ATOM 0 HE2 LYS A 58 82.965 24.526 -5.546 1.00 0.00 H new ATOM 0 HE3 LYS A 58 83.196 22.794 -5.687 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 84.064 23.666 -7.643 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 82.530 23.114 -8.117 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 82.792 24.770 -7.854 1.00 0.00 H new ATOM 928 N PHE A 59 79.870 27.385 -7.504 1.00 0.00 N ATOM 929 CA PHE A 59 80.513 27.969 -8.676 1.00 0.00 C ATOM 930 C PHE A 59 80.094 29.425 -8.856 1.00 0.00 C ATOM 931 O PHE A 59 80.841 30.233 -9.408 1.00 0.00 O ATOM 932 CB PHE A 59 80.161 27.166 -9.930 1.00 0.00 C ATOM 933 CG PHE A 59 80.601 27.823 -11.206 1.00 0.00 C ATOM 934 CD1 PHE A 59 81.873 27.604 -11.710 1.00 0.00 C ATOM 935 CD2 PHE A 59 79.744 28.660 -11.902 1.00 0.00 C ATOM 936 CE1 PHE A 59 82.282 28.209 -12.884 1.00 0.00 C ATOM 937 CE2 PHE A 59 80.147 29.267 -13.077 1.00 0.00 C ATOM 938 CZ PHE A 59 81.417 29.040 -13.569 1.00 0.00 C ATOM 0 H PHE A 59 79.028 26.847 -7.709 1.00 0.00 H new ATOM 0 HA PHE A 59 81.592 27.936 -8.523 1.00 0.00 H new ATOM 0 HB2 PHE A 59 80.621 26.180 -9.861 1.00 0.00 H new ATOM 0 HB3 PHE A 59 79.082 27.013 -9.963 1.00 0.00 H new ATOM 0 HD1 PHE A 59 82.553 26.953 -11.180 1.00 0.00 H new ATOM 0 HD2 PHE A 59 78.749 28.840 -11.522 1.00 0.00 H new ATOM 0 HE1 PHE A 59 83.277 28.032 -13.265 1.00 0.00 H new ATOM 0 HE2 PHE A 59 79.469 29.918 -13.609 1.00 0.00 H new ATOM 0 HZ PHE A 59 81.733 29.511 -14.488 1.00 0.00 H new ATOM 948 N ARG A 60 78.894 29.752 -8.388 1.00 0.00 N ATOM 949 CA ARG A 60 78.374 31.109 -8.499 1.00 0.00 C ATOM 950 C ARG A 60 78.789 31.951 -7.296 1.00 0.00 C ATOM 951 O ARG A 60 78.939 33.168 -7.400 1.00 0.00 O ATOM 952 CB ARG A 60 76.848 31.086 -8.616 1.00 0.00 C ATOM 953 CG ARG A 60 76.208 32.460 -8.508 1.00 0.00 C ATOM 954 CD ARG A 60 74.817 32.477 -9.122 1.00 0.00 C ATOM 955 NE ARG A 60 74.864 32.474 -10.582 1.00 0.00 N ATOM 956 CZ ARG A 60 73.812 32.733 -11.351 1.00 0.00 C ATOM 957 NH1 ARG A 60 72.638 33.013 -10.802 1.00 0.00 N ATOM 958 NH2 ARG A 60 73.934 32.712 -12.672 1.00 0.00 N ATOM 0 H ARG A 60 78.263 29.095 -7.928 1.00 0.00 H new ATOM 0 HA ARG A 60 78.794 31.559 -9.398 1.00 0.00 H new ATOM 0 HB2 ARG A 60 76.572 30.640 -9.572 1.00 0.00 H new ATOM 0 HB3 ARG A 60 76.442 30.443 -7.835 1.00 0.00 H new ATOM 0 HG2 ARG A 60 76.148 32.753 -7.460 1.00 0.00 H new ATOM 0 HG3 ARG A 60 76.837 33.196 -9.009 1.00 0.00 H new ATOM 0 HD2 ARG A 60 74.257 31.608 -8.775 1.00 0.00 H new ATOM 0 HD3 ARG A 60 74.280 33.361 -8.778 1.00 0.00 H new ATOM 0 HE ARG A 60 75.753 32.262 -11.036 1.00 0.00 H new ATOM 0 HH11 ARG A 60 72.541 33.030 -9.787 1.00 0.00 H new ATOM 0 HH12 ARG A 60 71.832 33.211 -11.395 1.00 0.00 H new ATOM 0 HH21 ARG A 60 74.836 32.497 -13.098 1.00 0.00 H new ATOM 0 HH22 ARG A 60 73.126 32.911 -13.262 1.00 0.00 H new ATOM 972 N ALA A 61 78.974 31.294 -6.156 1.00 0.00 N ATOM 973 CA ALA A 61 79.374 31.981 -4.934 1.00 0.00 C ATOM 974 C ALA A 61 80.600 32.855 -5.172 1.00 0.00 C ATOM 975 O ALA A 61 80.559 34.069 -4.971 1.00 0.00 O ATOM 976 CB ALA A 61 79.648 30.973 -3.828 1.00 0.00 C ATOM 0 H ALA A 61 78.853 30.286 -6.053 1.00 0.00 H new ATOM 0 HA ALA A 61 78.554 32.629 -4.625 1.00 0.00 H new ATOM 0 HB1 ALA A 61 79.946 31.500 -2.921 1.00 0.00 H new ATOM 0 HB2 ALA A 61 78.746 30.394 -3.632 1.00 0.00 H new ATOM 0 HB3 ALA A 61 80.449 30.302 -4.138 1.00 0.00 H new ATOM 982 N PHE A 62 81.692 32.230 -5.602 1.00 0.00 N ATOM 983 CA PHE A 62 82.932 32.951 -5.866 1.00 0.00 C ATOM 984 C PHE A 62 83.892 32.098 -6.689 1.00 0.00 C ATOM 985 O PHE A 62 84.587 32.603 -7.570 1.00 0.00 O ATOM 986 CB PHE A 62 83.597 33.363 -4.551 1.00 0.00 C ATOM 987 CG PHE A 62 83.571 34.844 -4.304 1.00 0.00 C ATOM 988 CD1 PHE A 62 83.998 35.730 -5.281 1.00 0.00 C ATOM 989 CD2 PHE A 62 83.119 35.351 -3.097 1.00 0.00 C ATOM 990 CE1 PHE A 62 83.976 37.094 -5.056 1.00 0.00 C ATOM 991 CE2 PHE A 62 83.094 36.714 -2.866 1.00 0.00 C ATOM 992 CZ PHE A 62 83.522 37.586 -3.848 1.00 0.00 C ATOM 0 H PHE A 62 81.743 31.226 -5.775 1.00 0.00 H new ATOM 0 HA PHE A 62 82.688 33.846 -6.438 1.00 0.00 H new ATOM 0 HB2 PHE A 62 83.097 32.856 -3.726 1.00 0.00 H new ATOM 0 HB3 PHE A 62 84.632 33.021 -4.554 1.00 0.00 H new ATOM 0 HD1 PHE A 62 84.352 35.351 -6.228 1.00 0.00 H new ATOM 0 HD2 PHE A 62 82.782 34.673 -2.327 1.00 0.00 H new ATOM 0 HE1 PHE A 62 84.314 37.774 -5.824 1.00 0.00 H new ATOM 0 HE2 PHE A 62 82.741 37.096 -1.920 1.00 0.00 H new ATOM 0 HZ PHE A 62 83.502 38.651 -3.671 1.00 0.00 H new ATOM 1002 N GLU A 63 83.925 30.802 -6.394 1.00 0.00 N ATOM 1003 CA GLU A 63 84.802 29.879 -7.106 1.00 0.00 C ATOM 1004 C GLU A 63 86.268 30.209 -6.843 1.00 0.00 C ATOM 1005 O GLU A 63 87.159 29.719 -7.535 1.00 0.00 O ATOM 1006 CB GLU A 63 84.518 29.929 -8.609 1.00 0.00 C ATOM 1007 CG GLU A 63 85.043 28.721 -9.367 1.00 0.00 C ATOM 1008 CD GLU A 63 84.708 28.770 -10.845 1.00 0.00 C ATOM 1009 OE1 GLU A 63 84.149 29.793 -11.293 1.00 0.00 O ATOM 1010 OE2 GLU A 63 85.004 27.785 -11.554 1.00 0.00 O ATOM 0 H GLU A 63 83.355 30.368 -5.668 1.00 0.00 H new ATOM 0 HA GLU A 63 84.603 28.872 -6.739 1.00 0.00 H new ATOM 0 HB2 GLU A 63 83.442 30.006 -8.765 1.00 0.00 H new ATOM 0 HB3 GLU A 63 84.966 30.832 -9.025 1.00 0.00 H new ATOM 0 HG2 GLU A 63 86.125 28.662 -9.245 1.00 0.00 H new ATOM 0 HG3 GLU A 63 84.623 27.814 -8.933 1.00 0.00 H new ATOM 1081 N ARG A 68 85.870 24.336 -0.391 1.00 0.00 N ATOM 1082 CA ARG A 68 84.426 24.437 -0.216 1.00 0.00 C ATOM 1083 C ARG A 68 83.700 23.409 -1.078 1.00 0.00 C ATOM 1084 O ARG A 68 83.681 23.514 -2.305 1.00 0.00 O ATOM 1085 CB ARG A 68 83.946 25.846 -0.569 1.00 0.00 C ATOM 1086 CG ARG A 68 83.822 26.767 0.633 1.00 0.00 C ATOM 1087 CD ARG A 68 82.763 26.273 1.607 1.00 0.00 C ATOM 1088 NE ARG A 68 82.276 27.343 2.474 1.00 0.00 N ATOM 1089 CZ ARG A 68 83.004 27.898 3.436 1.00 0.00 C ATOM 1090 NH1 ARG A 68 84.246 27.488 3.653 1.00 0.00 N ATOM 1091 NH2 ARG A 68 82.490 28.866 4.184 1.00 0.00 N ATOM 0 HA ARG A 68 84.197 24.234 0.830 1.00 0.00 H new ATOM 0 HB2 ARG A 68 84.639 26.288 -1.285 1.00 0.00 H new ATOM 0 HB3 ARG A 68 82.978 25.777 -1.064 1.00 0.00 H new ATOM 0 HG2 ARG A 68 84.783 26.834 1.142 1.00 0.00 H new ATOM 0 HG3 ARG A 68 83.569 27.773 0.298 1.00 0.00 H new ATOM 0 HD2 ARG A 68 81.928 25.849 1.050 1.00 0.00 H new ATOM 0 HD3 ARG A 68 83.178 25.472 2.218 1.00 0.00 H new ATOM 0 HE ARG A 68 81.325 27.682 2.333 1.00 0.00 H new ATOM 0 HH11 ARG A 68 84.645 26.744 3.080 1.00 0.00 H new ATOM 0 HH12 ARG A 68 84.803 27.916 4.393 1.00 0.00 H new ATOM 0 HH21 ARG A 68 81.535 29.184 4.020 1.00 0.00 H new ATOM 0 HH22 ARG A 68 83.050 29.292 4.923 1.00 0.00 H new ATOM 1105 N THR A 69 83.103 22.415 -0.429 1.00 0.00 N ATOM 1106 CA THR A 69 82.377 21.367 -1.136 1.00 0.00 C ATOM 1107 C THR A 69 80.946 21.796 -1.436 1.00 0.00 C ATOM 1108 O THR A 69 80.258 22.345 -0.574 1.00 0.00 O ATOM 1109 CB THR A 69 82.349 20.058 -0.324 1.00 0.00 C ATOM 1110 OG1 THR A 69 83.581 19.897 0.388 1.00 0.00 O ATOM 1111 CG2 THR A 69 82.125 18.861 -1.236 1.00 0.00 C ATOM 0 H THR A 69 83.108 22.313 0.586 1.00 0.00 H new ATOM 0 HA THR A 69 82.905 21.194 -2.074 1.00 0.00 H new ATOM 0 HB THR A 69 81.524 20.114 0.386 1.00 0.00 H new ATOM 0 HG1 THR A 69 83.555 19.064 0.903 1.00 0.00 H new ATOM 0 HG21 THR A 69 82.109 17.948 -0.641 1.00 0.00 H new ATOM 0 HG22 THR A 69 81.173 18.972 -1.755 1.00 0.00 H new ATOM 0 HG23 THR A 69 82.932 18.804 -1.966 1.00 0.00 H new ATOM 1119 N TYR A 70 80.502 21.543 -2.662 1.00 0.00 N ATOM 1120 CA TYR A 70 79.152 21.905 -3.076 1.00 0.00 C ATOM 1121 C TYR A 70 78.126 21.464 -2.036 1.00 0.00 C ATOM 1122 O TYR A 70 77.207 22.210 -1.698 1.00 0.00 O ATOM 1123 CB TYR A 70 78.825 21.274 -4.430 1.00 0.00 C ATOM 1124 CG TYR A 70 79.321 19.853 -4.572 1.00 0.00 C ATOM 1125 CD1 TYR A 70 78.560 18.782 -4.121 1.00 0.00 C ATOM 1126 CD2 TYR A 70 80.552 19.581 -5.157 1.00 0.00 C ATOM 1127 CE1 TYR A 70 79.010 17.482 -4.247 1.00 0.00 C ATOM 1128 CE2 TYR A 70 81.009 18.285 -5.289 1.00 0.00 C ATOM 1129 CZ TYR A 70 80.235 17.238 -4.832 1.00 0.00 C ATOM 1130 OH TYR A 70 80.687 15.945 -4.961 1.00 0.00 O ATOM 0 H TYR A 70 81.058 21.088 -3.387 1.00 0.00 H new ATOM 0 HA TYR A 70 79.106 22.990 -3.167 1.00 0.00 H new ATOM 0 HB2 TYR A 70 77.745 21.289 -4.577 1.00 0.00 H new ATOM 0 HB3 TYR A 70 79.263 21.883 -5.221 1.00 0.00 H new ATOM 0 HD1 TYR A 70 77.600 18.969 -3.664 1.00 0.00 H new ATOM 0 HD2 TYR A 70 81.162 20.398 -5.515 1.00 0.00 H new ATOM 0 HE1 TYR A 70 78.406 16.661 -3.889 1.00 0.00 H new ATOM 0 HE2 TYR A 70 81.967 18.092 -5.748 1.00 0.00 H new ATOM 0 HH TYR A 70 81.566 15.947 -5.395 1.00 0.00 H new ATOM 1140 N VAL A 71 78.291 20.245 -1.532 1.00 0.00 N ATOM 1141 CA VAL A 71 77.382 19.704 -0.529 1.00 0.00 C ATOM 1142 C VAL A 71 77.451 20.506 0.766 1.00 0.00 C ATOM 1143 O VAL A 71 76.435 20.728 1.426 1.00 0.00 O ATOM 1144 CB VAL A 71 77.699 18.228 -0.222 1.00 0.00 C ATOM 1145 CG1 VAL A 71 79.133 18.079 0.262 1.00 0.00 C ATOM 1146 CG2 VAL A 71 76.721 17.675 0.803 1.00 0.00 C ATOM 0 H VAL A 71 79.045 19.614 -1.802 1.00 0.00 H new ATOM 0 HA VAL A 71 76.376 19.774 -0.944 1.00 0.00 H new ATOM 0 HB VAL A 71 77.590 17.652 -1.141 1.00 0.00 H new ATOM 0 HG11 VAL A 71 79.338 17.030 0.474 1.00 0.00 H new ATOM 0 HG12 VAL A 71 79.816 18.434 -0.510 1.00 0.00 H new ATOM 0 HG13 VAL A 71 79.274 18.667 1.169 1.00 0.00 H new ATOM 0 HG21 VAL A 71 76.960 16.631 1.008 1.00 0.00 H new ATOM 0 HG22 VAL A 71 76.795 18.252 1.725 1.00 0.00 H new ATOM 0 HG23 VAL A 71 75.706 17.745 0.412 1.00 0.00 H new ATOM 1156 N ASP A 72 78.654 20.940 1.123 1.00 0.00 N ATOM 1157 CA ASP A 72 78.856 21.720 2.339 1.00 0.00 C ATOM 1158 C ASP A 72 78.107 23.047 2.264 1.00 0.00 C ATOM 1159 O ASP A 72 77.511 23.492 3.246 1.00 0.00 O ATOM 1160 CB ASP A 72 80.347 21.975 2.565 1.00 0.00 C ATOM 1161 CG ASP A 72 80.658 22.357 3.999 1.00 0.00 C ATOM 1162 OD1 ASP A 72 80.141 21.686 4.918 1.00 0.00 O ATOM 1163 OD2 ASP A 72 81.418 23.326 4.203 1.00 0.00 O ATOM 0 H ASP A 72 79.505 20.765 0.588 1.00 0.00 H new ATOM 0 HA ASP A 72 78.462 21.147 3.178 1.00 0.00 H new ATOM 0 HB2 ASP A 72 80.910 21.080 2.300 1.00 0.00 H new ATOM 0 HB3 ASP A 72 80.682 22.771 1.899 1.00 0.00 H new ATOM 1168 N LEU A 73 78.141 23.674 1.093 1.00 0.00 N ATOM 1169 CA LEU A 73 77.466 24.951 0.890 1.00 0.00 C ATOM 1170 C LEU A 73 75.962 24.811 1.098 1.00 0.00 C ATOM 1171 O LEU A 73 75.368 25.518 1.913 1.00 0.00 O ATOM 1172 CB LEU A 73 77.751 25.483 -0.516 1.00 0.00 C ATOM 1173 CG LEU A 73 79.137 26.088 -0.737 1.00 0.00 C ATOM 1174 CD1 LEU A 73 80.050 25.092 -1.436 1.00 0.00 C ATOM 1175 CD2 LEU A 73 79.035 27.375 -1.542 1.00 0.00 C ATOM 0 H LEU A 73 78.628 23.319 0.270 1.00 0.00 H new ATOM 0 HA LEU A 73 77.851 25.658 1.624 1.00 0.00 H new ATOM 0 HB2 LEU A 73 77.616 24.667 -1.226 1.00 0.00 H new ATOM 0 HB3 LEU A 73 77.004 26.240 -0.754 1.00 0.00 H new ATOM 0 HG LEU A 73 79.568 26.324 0.236 1.00 0.00 H new ATOM 0 HD11 LEU A 73 81.032 25.541 -1.585 1.00 0.00 H new ATOM 0 HD12 LEU A 73 80.149 24.197 -0.822 1.00 0.00 H new ATOM 0 HD13 LEU A 73 79.624 24.824 -2.403 1.00 0.00 H new ATOM 0 HD21 LEU A 73 80.031 27.792 -1.690 1.00 0.00 H new ATOM 0 HD22 LEU A 73 78.583 27.163 -2.511 1.00 0.00 H new ATOM 0 HD23 LEU A 73 78.417 28.093 -1.003 1.00 0.00 H new ATOM 1187 N LYS A 74 75.350 23.893 0.358 1.00 0.00 N ATOM 1188 CA LYS A 74 73.915 23.656 0.463 1.00 0.00 C ATOM 1189 C LYS A 74 73.548 23.143 1.852 1.00 0.00 C ATOM 1190 O LYS A 74 72.515 23.515 2.408 1.00 0.00 O ATOM 1191 CB LYS A 74 73.464 22.651 -0.599 1.00 0.00 C ATOM 1192 CG LYS A 74 72.017 22.215 -0.449 1.00 0.00 C ATOM 1193 CD LYS A 74 71.453 21.694 -1.760 1.00 0.00 C ATOM 1194 CE LYS A 74 70.048 22.219 -2.010 1.00 0.00 C ATOM 1195 NZ LYS A 74 69.042 21.549 -1.141 1.00 0.00 N ATOM 0 H LYS A 74 75.826 23.300 -0.322 1.00 0.00 H new ATOM 0 HA LYS A 74 73.403 24.604 0.298 1.00 0.00 H new ATOM 0 HB2 LYS A 74 73.601 23.092 -1.586 1.00 0.00 H new ATOM 0 HB3 LYS A 74 74.106 21.772 -0.551 1.00 0.00 H new ATOM 0 HG2 LYS A 74 71.947 21.438 0.312 1.00 0.00 H new ATOM 0 HG3 LYS A 74 71.417 23.056 -0.102 1.00 0.00 H new ATOM 0 HD2 LYS A 74 72.105 21.991 -2.581 1.00 0.00 H new ATOM 0 HD3 LYS A 74 71.438 20.604 -1.743 1.00 0.00 H new ATOM 0 HE2 LYS A 74 70.025 23.294 -1.830 1.00 0.00 H new ATOM 0 HE3 LYS A 74 69.784 22.065 -3.056 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 68.097 21.935 -1.342 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 69.046 20.526 -1.330 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 69.279 21.717 -0.142 1.00 0.00 H new ATOM 1209 N ASP A 75 74.402 22.289 2.406 1.00 0.00 N ATOM 1210 CA ASP A 75 74.168 21.727 3.732 1.00 0.00 C ATOM 1211 C ASP A 75 74.231 22.814 4.801 1.00 0.00 C ATOM 1212 O ASP A 75 73.456 22.804 5.757 1.00 0.00 O ATOM 1213 CB ASP A 75 75.196 20.636 4.034 1.00 0.00 C ATOM 1214 CG ASP A 75 74.836 19.308 3.398 1.00 0.00 C ATOM 1215 OD1 ASP A 75 73.876 19.274 2.600 1.00 0.00 O ATOM 1216 OD2 ASP A 75 75.514 18.304 3.698 1.00 0.00 O ATOM 0 H ASP A 75 75.262 21.971 1.958 1.00 0.00 H new ATOM 0 HA ASP A 75 73.170 21.288 3.744 1.00 0.00 H new ATOM 0 HB2 ASP A 75 76.175 20.954 3.675 1.00 0.00 H new ATOM 0 HB3 ASP A 75 75.279 20.508 5.113 1.00 0.00 H new ATOM 1221 N LYS A 76 75.159 23.749 4.632 1.00 0.00 N ATOM 1222 CA LYS A 76 75.325 24.844 5.582 1.00 0.00 C ATOM 1223 C LYS A 76 74.103 25.757 5.577 1.00 0.00 C ATOM 1224 O LYS A 76 73.616 26.163 6.632 1.00 0.00 O ATOM 1225 CB LYS A 76 76.581 25.651 5.247 1.00 0.00 C ATOM 1226 CG LYS A 76 77.082 26.502 6.401 1.00 0.00 C ATOM 1227 CD LYS A 76 78.289 25.872 7.076 1.00 0.00 C ATOM 1228 CE LYS A 76 79.502 26.787 7.016 1.00 0.00 C ATOM 1229 NZ LYS A 76 79.926 27.054 5.614 1.00 0.00 N ATOM 0 H LYS A 76 75.808 23.771 3.846 1.00 0.00 H new ATOM 0 HA LYS A 76 75.432 24.416 6.578 1.00 0.00 H new ATOM 0 HB2 LYS A 76 77.372 24.966 4.941 1.00 0.00 H new ATOM 0 HB3 LYS A 76 76.371 26.297 4.394 1.00 0.00 H new ATOM 0 HG2 LYS A 76 77.346 27.494 6.035 1.00 0.00 H new ATOM 0 HG3 LYS A 76 76.283 26.633 7.131 1.00 0.00 H new ATOM 0 HD2 LYS A 76 78.051 25.650 8.116 1.00 0.00 H new ATOM 0 HD3 LYS A 76 78.523 24.923 6.593 1.00 0.00 H new ATOM 0 HE2 LYS A 76 79.270 27.730 7.511 1.00 0.00 H new ATOM 0 HE3 LYS A 76 80.327 26.333 7.565 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 80.956 27.198 5.584 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 79.672 26.243 5.014 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 79.447 27.908 5.263 1.00 0.00 H new ATOM 1243 N TRP A 77 73.614 26.076 4.384 1.00 0.00 N ATOM 1244 CA TRP A 77 72.448 26.941 4.243 1.00 0.00 C ATOM 1245 C TRP A 77 71.235 26.338 4.941 1.00 0.00 C ATOM 1246 O TRP A 77 70.578 26.997 5.747 1.00 0.00 O ATOM 1247 CB TRP A 77 72.137 27.175 2.764 1.00 0.00 C ATOM 1248 CG TRP A 77 70.768 27.735 2.526 1.00 0.00 C ATOM 1249 CD1 TRP A 77 70.293 28.945 2.947 1.00 0.00 C ATOM 1250 CD2 TRP A 77 69.697 27.107 1.813 1.00 0.00 C ATOM 1251 NE1 TRP A 77 68.990 29.106 2.539 1.00 0.00 N ATOM 1252 CE2 TRP A 77 68.602 27.993 1.841 1.00 0.00 C ATOM 1253 CE3 TRP A 77 69.556 25.884 1.153 1.00 0.00 C ATOM 1254 CZ2 TRP A 77 67.385 27.692 1.234 1.00 0.00 C ATOM 1255 CZ3 TRP A 77 68.348 25.586 0.552 1.00 0.00 C ATOM 1256 CH2 TRP A 77 67.276 26.487 0.595 1.00 0.00 C ATOM 0 H TRP A 77 74.006 25.749 3.501 1.00 0.00 H new ATOM 0 HA TRP A 77 72.677 27.897 4.715 1.00 0.00 H new ATOM 0 HB2 TRP A 77 72.878 27.857 2.348 1.00 0.00 H new ATOM 0 HB3 TRP A 77 72.234 26.232 2.226 1.00 0.00 H new ATOM 0 HD1 TRP A 77 70.858 29.668 3.516 1.00 0.00 H new ATOM 0 HE1 TRP A 77 68.407 29.922 2.726 1.00 0.00 H new ATOM 0 HE3 TRP A 77 70.377 25.183 1.113 1.00 0.00 H new ATOM 0 HZ2 TRP A 77 66.557 28.385 1.267 1.00 0.00 H new ATOM 0 HZ3 TRP A 77 68.228 24.642 0.040 1.00 0.00 H new ATOM 0 HH2 TRP A 77 66.345 26.225 0.114 1.00 0.00 H new ATOM 1267 N LYS A 78 70.941 25.080 4.627 1.00 0.00 N ATOM 1268 CA LYS A 78 69.807 24.386 5.225 1.00 0.00 C ATOM 1269 C LYS A 78 69.980 24.262 6.735 1.00 0.00 C ATOM 1270 O LYS A 78 69.042 24.493 7.500 1.00 0.00 O ATOM 1271 CB LYS A 78 69.648 22.997 4.603 1.00 0.00 C ATOM 1272 CG LYS A 78 68.628 22.125 5.316 1.00 0.00 C ATOM 1273 CD LYS A 78 67.999 21.116 4.371 1.00 0.00 C ATOM 1274 CE LYS A 78 68.883 19.891 4.194 1.00 0.00 C ATOM 1275 NZ LYS A 78 68.301 18.923 3.223 1.00 0.00 N ATOM 0 H LYS A 78 71.473 24.520 3.961 1.00 0.00 H new ATOM 0 HA LYS A 78 68.909 24.971 5.027 1.00 0.00 H new ATOM 0 HB2 LYS A 78 69.354 23.107 3.559 1.00 0.00 H new ATOM 0 HB3 LYS A 78 70.614 22.492 4.610 1.00 0.00 H new ATOM 0 HG2 LYS A 78 69.110 21.601 6.141 1.00 0.00 H new ATOM 0 HG3 LYS A 78 67.850 22.754 5.749 1.00 0.00 H new ATOM 0 HD2 LYS A 78 67.026 20.811 4.757 1.00 0.00 H new ATOM 0 HD3 LYS A 78 67.825 21.583 3.402 1.00 0.00 H new ATOM 0 HE2 LYS A 78 69.870 20.202 3.850 1.00 0.00 H new ATOM 0 HE3 LYS A 78 69.021 19.400 5.158 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 68.933 18.102 3.130 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 67.370 18.607 3.563 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 68.193 19.383 2.297 1.00 0.00 H new ATOM 1289 N THR A 79 71.186 23.897 7.161 1.00 0.00 N ATOM 1290 CA THR A 79 71.482 23.743 8.579 1.00 0.00 C ATOM 1291 C THR A 79 71.311 25.063 9.323 1.00 0.00 C ATOM 1292 O THR A 79 70.615 25.130 10.337 1.00 0.00 O ATOM 1293 CB THR A 79 72.915 23.224 8.801 1.00 0.00 C ATOM 1294 OG1 THR A 79 73.077 21.949 8.169 1.00 0.00 O ATOM 1295 CG2 THR A 79 73.222 23.102 10.286 1.00 0.00 C ATOM 0 H THR A 79 71.974 23.703 6.543 1.00 0.00 H new ATOM 0 HA THR A 79 70.774 23.013 8.972 1.00 0.00 H new ATOM 0 HB THR A 79 73.610 23.939 8.360 1.00 0.00 H new ATOM 0 HG1 THR A 79 73.329 22.079 7.231 1.00 0.00 H new ATOM 0 HG21 THR A 79 74.239 22.734 10.418 1.00 0.00 H new ATOM 0 HG22 THR A 79 73.126 24.079 10.759 1.00 0.00 H new ATOM 0 HG23 THR A 79 72.521 22.405 10.746 1.00 0.00 H new ATOM 1303 N LEU A 80 71.949 26.110 8.813 1.00 0.00 N ATOM 1304 CA LEU A 80 71.867 27.430 9.429 1.00 0.00 C ATOM 1305 C LEU A 80 70.419 27.901 9.518 1.00 0.00 C ATOM 1306 O LEU A 80 70.045 28.621 10.444 1.00 0.00 O ATOM 1307 CB LEU A 80 72.695 28.439 8.632 1.00 0.00 C ATOM 1308 CG LEU A 80 71.923 29.298 7.630 1.00 0.00 C ATOM 1309 CD1 LEU A 80 71.315 30.509 8.321 1.00 0.00 C ATOM 1310 CD2 LEU A 80 72.831 29.733 6.489 1.00 0.00 C ATOM 0 H LEU A 80 72.529 26.071 7.975 1.00 0.00 H new ATOM 0 HA LEU A 80 72.269 27.357 10.440 1.00 0.00 H new ATOM 0 HB2 LEU A 80 73.199 29.102 9.336 1.00 0.00 H new ATOM 0 HB3 LEU A 80 73.471 27.896 8.093 1.00 0.00 H new ATOM 0 HG LEU A 80 71.113 28.698 7.215 1.00 0.00 H new ATOM 0 HD11 LEU A 80 70.770 31.108 7.592 1.00 0.00 H new ATOM 0 HD12 LEU A 80 70.631 30.177 9.102 1.00 0.00 H new ATOM 0 HD13 LEU A 80 72.108 31.111 8.765 1.00 0.00 H new ATOM 0 HD21 LEU A 80 72.265 30.343 5.786 1.00 0.00 H new ATOM 0 HD22 LEU A 80 73.662 30.315 6.887 1.00 0.00 H new ATOM 0 HD23 LEU A 80 73.218 28.853 5.976 1.00 0.00 H new ATOM 1322 N VAL A 81 69.607 27.487 8.551 1.00 0.00 N ATOM 1323 CA VAL A 81 68.199 27.863 8.521 1.00 0.00 C ATOM 1324 C VAL A 81 67.434 27.219 9.672 1.00 0.00 C ATOM 1325 O VAL A 81 66.647 27.876 10.354 1.00 0.00 O ATOM 1326 CB VAL A 81 67.537 27.459 7.190 1.00 0.00 C ATOM 1327 CG1 VAL A 81 66.022 27.536 7.301 1.00 0.00 C ATOM 1328 CG2 VAL A 81 68.043 28.337 6.056 1.00 0.00 C ATOM 0 H VAL A 81 69.900 26.891 7.777 1.00 0.00 H new ATOM 0 HA VAL A 81 68.159 28.948 8.623 1.00 0.00 H new ATOM 0 HB VAL A 81 67.808 26.427 6.968 1.00 0.00 H new ATOM 0 HG11 VAL A 81 65.572 27.247 6.351 1.00 0.00 H new ATOM 0 HG12 VAL A 81 65.680 26.860 8.085 1.00 0.00 H new ATOM 0 HG13 VAL A 81 65.727 28.556 7.547 1.00 0.00 H new ATOM 0 HG21 VAL A 81 67.565 28.038 5.123 1.00 0.00 H new ATOM 0 HG22 VAL A 81 67.804 29.379 6.268 1.00 0.00 H new ATOM 0 HG23 VAL A 81 69.123 28.224 5.963 1.00 0.00 H new ATOM 1338 N HIS A 82 67.670 25.928 9.884 1.00 0.00 N ATOM 1339 CA HIS A 82 67.005 25.194 10.954 1.00 0.00 C ATOM 1340 C HIS A 82 67.375 25.768 12.318 1.00 0.00 C ATOM 1341 O HIS A 82 66.528 25.888 13.204 1.00 0.00 O ATOM 1342 CB HIS A 82 67.377 23.712 10.893 1.00 0.00 C ATOM 1343 CG HIS A 82 66.860 22.917 12.052 1.00 0.00 C ATOM 1344 ND1 HIS A 82 67.570 21.887 12.634 1.00 0.00 N ATOM 1345 CD2 HIS A 82 65.698 23.006 12.739 1.00 0.00 C ATOM 1346 CE1 HIS A 82 66.865 21.376 13.627 1.00 0.00 C ATOM 1347 NE2 HIS A 82 65.725 22.038 13.713 1.00 0.00 N ATOM 0 H HIS A 82 68.317 25.369 9.328 1.00 0.00 H new ATOM 0 HA HIS A 82 65.929 25.296 10.816 1.00 0.00 H new ATOM 0 HB2 HIS A 82 66.988 23.286 9.968 1.00 0.00 H new ATOM 0 HB3 HIS A 82 68.462 23.619 10.855 1.00 0.00 H new ATOM 0 HD2 HIS A 82 64.898 23.708 12.556 1.00 0.00 H new ATOM 0 HE1 HIS A 82 67.169 20.556 14.261 1.00 0.00 H new ATOM 0 HE2 HIS A 82 64.985 21.859 14.392 1.00 0.00 H new ATOM 1355 N THR A 83 68.646 26.120 12.481 1.00 0.00 N ATOM 1356 CA THR A 83 69.129 26.679 13.738 1.00 0.00 C ATOM 1357 C THR A 83 68.634 28.108 13.930 1.00 0.00 C ATOM 1358 O THR A 83 68.450 28.565 15.058 1.00 0.00 O ATOM 1359 CB THR A 83 70.668 26.668 13.803 1.00 0.00 C ATOM 1360 OG1 THR A 83 71.153 25.325 13.699 1.00 0.00 O ATOM 1361 CG2 THR A 83 71.159 27.291 15.101 1.00 0.00 C ATOM 0 H THR A 83 69.360 26.028 11.758 1.00 0.00 H new ATOM 0 HA THR A 83 68.734 26.050 14.536 1.00 0.00 H new ATOM 0 HB THR A 83 71.049 27.257 12.969 1.00 0.00 H new ATOM 0 HG1 THR A 83 72.132 25.327 13.739 1.00 0.00 H new ATOM 0 HG21 THR A 83 72.249 27.272 15.124 1.00 0.00 H new ATOM 0 HG22 THR A 83 70.813 28.323 15.163 1.00 0.00 H new ATOM 0 HG23 THR A 83 70.768 26.725 15.947 1.00 0.00 H new ATOM 1369 N ALA A 84 68.419 28.809 12.822 1.00 0.00 N ATOM 1370 CA ALA A 84 67.942 30.186 12.869 1.00 0.00 C ATOM 1371 C ALA A 84 66.423 30.237 12.991 1.00 0.00 C ATOM 1372 O ALA A 84 65.843 31.301 13.208 1.00 0.00 O ATOM 1373 CB ALA A 84 68.400 30.946 11.633 1.00 0.00 C ATOM 0 H ALA A 84 68.568 28.446 11.880 1.00 0.00 H new ATOM 0 HA ALA A 84 68.367 30.662 13.753 1.00 0.00 H new ATOM 0 HB1 ALA A 84 68.037 31.972 11.682 1.00 0.00 H new ATOM 0 HB2 ALA A 84 69.489 30.948 11.590 1.00 0.00 H new ATOM 0 HB3 ALA A 84 68.003 30.462 10.741 1.00 0.00 H new ATOM 1379 N SER A 85 65.783 29.080 12.849 1.00 0.00 N ATOM 1380 CA SER A 85 64.331 28.994 12.939 1.00 0.00 C ATOM 1381 C SER A 85 63.903 28.418 14.286 1.00 0.00 C ATOM 1382 O SER A 85 62.881 28.815 14.846 1.00 0.00 O ATOM 1383 CB SER A 85 63.779 28.130 11.803 1.00 0.00 C ATOM 1384 OG SER A 85 62.511 28.599 11.376 1.00 0.00 O ATOM 0 H SER A 85 66.248 28.190 12.671 1.00 0.00 H new ATOM 0 HA SER A 85 63.926 30.002 12.849 1.00 0.00 H new ATOM 0 HB2 SER A 85 64.475 28.139 10.964 1.00 0.00 H new ATOM 0 HB3 SER A 85 63.694 27.096 12.136 1.00 0.00 H new ATOM 0 HG SER A 85 62.180 28.032 10.649 1.00 0.00 H new ATOM 1390 N ILE A 86 64.692 27.480 14.798 1.00 0.00 N ATOM 1391 CA ILE A 86 64.396 26.849 16.079 1.00 0.00 C ATOM 1392 C ILE A 86 64.227 27.892 17.179 1.00 0.00 C ATOM 1393 O ILE A 86 64.392 29.089 16.944 1.00 0.00 O ATOM 1394 CB ILE A 86 65.503 25.861 16.489 1.00 0.00 C ATOM 1395 CG1 ILE A 86 66.873 26.540 16.422 1.00 0.00 C ATOM 1396 CG2 ILE A 86 65.472 24.630 15.596 1.00 0.00 C ATOM 1397 CD1 ILE A 86 67.992 25.700 16.996 1.00 0.00 C ATOM 0 H ILE A 86 65.541 27.140 14.346 1.00 0.00 H new ATOM 0 HA ILE A 86 63.461 26.302 15.953 1.00 0.00 H new ATOM 0 HB ILE A 86 65.325 25.545 17.517 1.00 0.00 H new ATOM 0 HG12 ILE A 86 67.103 26.775 15.383 1.00 0.00 H new ATOM 0 HG13 ILE A 86 66.827 27.487 16.960 1.00 0.00 H new ATOM 0 HG21 ILE A 86 66.261 23.941 15.899 1.00 0.00 H new ATOM 0 HG22 ILE A 86 64.504 24.137 15.689 1.00 0.00 H new ATOM 0 HG23 ILE A 86 65.629 24.928 14.559 1.00 0.00 H new ATOM 0 HD11 ILE A 86 68.933 26.244 16.915 1.00 0.00 H new ATOM 0 HD12 ILE A 86 67.785 25.486 18.045 1.00 0.00 H new ATOM 0 HD13 ILE A 86 68.065 24.764 16.442 1.00 0.00 H new ATOM 1409 N ALA A 87 63.900 27.429 18.381 1.00 0.00 N ATOM 1410 CA ALA A 87 63.713 28.321 19.518 1.00 0.00 C ATOM 1411 C ALA A 87 64.908 29.254 19.686 1.00 0.00 C ATOM 1412 O ALA A 87 66.002 28.998 19.183 1.00 0.00 O ATOM 1413 CB ALA A 87 63.488 27.515 20.789 1.00 0.00 C ATOM 0 H ALA A 87 63.759 26.441 18.592 1.00 0.00 H new ATOM 0 HA ALA A 87 62.831 28.933 19.327 1.00 0.00 H new ATOM 0 HB1 ALA A 87 63.350 28.194 21.631 1.00 0.00 H new ATOM 0 HB2 ALA A 87 62.599 26.894 20.674 1.00 0.00 H new ATOM 0 HB3 ALA A 87 64.353 26.879 20.974 1.00 0.00 H new ATOM 1419 N PRO A 88 64.696 30.363 20.410 1.00 0.00 N ATOM 1420 CA PRO A 88 65.744 31.357 20.660 1.00 0.00 C ATOM 1421 C PRO A 88 66.826 30.834 21.598 1.00 0.00 C ATOM 1422 O PRO A 88 68.018 30.998 21.337 1.00 0.00 O ATOM 1423 CB PRO A 88 64.985 32.515 21.313 1.00 0.00 C ATOM 1424 CG PRO A 88 63.788 31.882 21.934 1.00 0.00 C ATOM 1425 CD PRO A 88 63.417 30.732 21.040 1.00 0.00 C ATOM 0 HA PRO A 88 66.269 31.635 19.746 1.00 0.00 H new ATOM 0 HB2 PRO A 88 65.598 33.019 22.060 1.00 0.00 H new ATOM 0 HB3 PRO A 88 64.698 33.266 20.576 1.00 0.00 H new ATOM 0 HG2 PRO A 88 64.009 31.536 22.944 1.00 0.00 H new ATOM 0 HG3 PRO A 88 62.967 32.595 22.014 1.00 0.00 H new ATOM 0 HD2 PRO A 88 62.994 29.903 21.607 1.00 0.00 H new ATOM 0 HD3 PRO A 88 62.673 31.023 20.298 1.00 0.00 H new ATOM 1433 N GLN A 89 66.404 30.204 22.690 1.00 0.00 N ATOM 1434 CA GLN A 89 67.339 29.657 23.666 1.00 0.00 C ATOM 1435 C GLN A 89 68.264 28.632 23.019 1.00 0.00 C ATOM 1436 O GLN A 89 69.357 28.367 23.518 1.00 0.00 O ATOM 1437 CB GLN A 89 66.578 29.014 24.827 1.00 0.00 C ATOM 1438 CG GLN A 89 65.568 27.967 24.387 1.00 0.00 C ATOM 1439 CD GLN A 89 64.769 27.404 25.545 1.00 0.00 C ATOM 1440 OE1 GLN A 89 64.204 28.150 26.345 1.00 0.00 O ATOM 1441 NE2 GLN A 89 64.716 26.080 25.640 1.00 0.00 N ATOM 0 H GLN A 89 65.421 30.060 22.921 1.00 0.00 H new ATOM 0 HA GLN A 89 67.947 30.477 24.049 1.00 0.00 H new ATOM 0 HB2 GLN A 89 67.293 28.553 25.508 1.00 0.00 H new ATOM 0 HB3 GLN A 89 66.061 29.793 25.387 1.00 0.00 H new ATOM 0 HG2 GLN A 89 64.886 28.409 23.661 1.00 0.00 H new ATOM 0 HG3 GLN A 89 66.090 27.154 23.881 1.00 0.00 H new ATOM 0 HE21 GLN A 89 65.200 25.500 24.954 1.00 0.00 H new ATOM 0 HE22 GLN A 89 64.192 25.644 26.398 1.00 0.00 H new ATOM 1450 N GLN A 90 67.819 28.060 21.905 1.00 0.00 N ATOM 1451 CA GLN A 90 68.607 27.063 21.191 1.00 0.00 C ATOM 1452 C GLN A 90 69.590 27.730 20.233 1.00 0.00 C ATOM 1453 O GLN A 90 70.663 27.195 19.957 1.00 0.00 O ATOM 1454 CB GLN A 90 67.690 26.113 20.419 1.00 0.00 C ATOM 1455 CG GLN A 90 66.721 25.349 21.306 1.00 0.00 C ATOM 1456 CD GLN A 90 67.414 24.318 22.175 1.00 0.00 C ATOM 1457 OE1 GLN A 90 67.824 23.260 21.697 1.00 0.00 O ATOM 1458 NE2 GLN A 90 67.549 24.622 23.461 1.00 0.00 N ATOM 0 H GLN A 90 66.917 28.270 21.478 1.00 0.00 H new ATOM 0 HA GLN A 90 69.174 26.491 21.926 1.00 0.00 H new ATOM 0 HB2 GLN A 90 67.123 26.685 19.684 1.00 0.00 H new ATOM 0 HB3 GLN A 90 68.302 25.401 19.865 1.00 0.00 H new ATOM 0 HG2 GLN A 90 66.184 26.053 21.942 1.00 0.00 H new ATOM 0 HG3 GLN A 90 65.978 24.852 20.682 1.00 0.00 H new ATOM 0 HE21 GLN A 90 67.194 25.510 23.815 1.00 0.00 H new ATOM 0 HE22 GLN A 90 68.007 23.967 24.094 1.00 0.00 H new ATOM 1467 N ARG A 91 69.214 28.902 19.730 1.00 0.00 N ATOM 1468 CA ARG A 91 70.062 29.641 18.802 1.00 0.00 C ATOM 1469 C ARG A 91 70.816 30.754 19.524 1.00 0.00 C ATOM 1470 O ARG A 91 70.869 31.890 19.051 1.00 0.00 O ATOM 1471 CB ARG A 91 69.220 30.233 17.670 1.00 0.00 C ATOM 1472 CG ARG A 91 68.193 31.250 18.141 1.00 0.00 C ATOM 1473 CD ARG A 91 68.003 32.362 17.122 1.00 0.00 C ATOM 1474 NE ARG A 91 69.105 33.320 17.145 1.00 0.00 N ATOM 1475 CZ ARG A 91 69.278 34.218 18.109 1.00 0.00 C ATOM 1476 NH1 ARG A 91 68.427 34.280 19.123 1.00 0.00 N ATOM 1477 NH2 ARG A 91 70.306 35.056 18.060 1.00 0.00 N ATOM 0 H ARG A 91 68.329 29.359 19.949 1.00 0.00 H new ATOM 0 HA ARG A 91 70.789 28.946 18.381 1.00 0.00 H new ATOM 0 HB2 ARG A 91 69.882 30.707 16.946 1.00 0.00 H new ATOM 0 HB3 ARG A 91 68.706 29.425 17.150 1.00 0.00 H new ATOM 0 HG2 ARG A 91 67.240 30.751 18.319 1.00 0.00 H new ATOM 0 HG3 ARG A 91 68.512 31.677 19.092 1.00 0.00 H new ATOM 0 HD2 ARG A 91 67.919 31.930 16.125 1.00 0.00 H new ATOM 0 HD3 ARG A 91 67.066 32.882 17.323 1.00 0.00 H new ATOM 0 HE ARG A 91 69.779 33.299 16.379 1.00 0.00 H new ATOM 0 HH11 ARG A 91 67.636 33.637 19.165 1.00 0.00 H new ATOM 0 HH12 ARG A 91 68.563 34.971 19.861 1.00 0.00 H new ATOM 0 HH21 ARG A 91 70.964 35.011 17.282 1.00 0.00 H new ATOM 0 HH22 ARG A 91 70.438 35.745 18.800 1.00 0.00 H new ATOM 1491 N ARG A 92 71.398 30.420 20.671 1.00 0.00 N ATOM 1492 CA ARG A 92 72.148 31.391 21.458 1.00 0.00 C ATOM 1493 C ARG A 92 73.651 31.177 21.298 1.00 0.00 C ATOM 1494 O ARG A 92 74.309 30.633 22.183 1.00 0.00 O ATOM 1495 CB ARG A 92 71.763 31.289 22.935 1.00 0.00 C ATOM 1496 CG ARG A 92 71.966 32.581 23.708 1.00 0.00 C ATOM 1497 CD ARG A 92 73.406 32.731 24.175 1.00 0.00 C ATOM 1498 NE ARG A 92 73.526 33.668 25.289 1.00 0.00 N ATOM 1499 CZ ARG A 92 74.627 33.805 26.019 1.00 0.00 C ATOM 1500 NH1 ARG A 92 75.698 33.069 25.754 1.00 0.00 N ATOM 1501 NH2 ARG A 92 74.659 34.679 27.016 1.00 0.00 N ATOM 0 H ARG A 92 71.365 29.484 21.076 1.00 0.00 H new ATOM 0 HA ARG A 92 71.899 32.387 21.092 1.00 0.00 H new ATOM 0 HB2 ARG A 92 70.717 30.992 23.009 1.00 0.00 H new ATOM 0 HB3 ARG A 92 72.353 30.500 23.402 1.00 0.00 H new ATOM 0 HG2 ARG A 92 71.696 33.429 23.078 1.00 0.00 H new ATOM 0 HG3 ARG A 92 71.299 32.599 24.570 1.00 0.00 H new ATOM 0 HD2 ARG A 92 73.792 31.758 24.477 1.00 0.00 H new ATOM 0 HD3 ARG A 92 74.022 33.075 23.344 1.00 0.00 H new ATOM 0 HE ARG A 92 72.720 34.249 25.519 1.00 0.00 H new ATOM 0 HH11 ARG A 92 75.677 32.396 24.988 1.00 0.00 H new ATOM 0 HH12 ARG A 92 76.542 33.176 26.316 1.00 0.00 H new ATOM 0 HH21 ARG A 92 73.837 35.247 27.223 1.00 0.00 H new ATOM 0 HH22 ARG A 92 75.505 34.783 27.576 1.00 0.00 H new ATOM 1515 N GLY A 93 74.187 31.609 20.160 1.00 0.00 N ATOM 1516 CA GLY A 93 75.607 31.455 19.903 1.00 0.00 C ATOM 1517 C GLY A 93 76.327 32.786 19.815 1.00 0.00 C ATOM 1518 O GLY A 93 76.047 33.703 20.586 1.00 0.00 O ATOM 0 H GLY A 93 73.663 32.063 19.412 1.00 0.00 H new ATOM 0 HA2 GLY A 93 76.054 30.855 20.696 1.00 0.00 H new ATOM 0 HA3 GLY A 93 75.747 30.907 18.971 1.00 0.00 H new ATOM 1522 N ALA A 94 77.260 32.891 18.874 1.00 0.00 N ATOM 1523 CA ALA A 94 78.023 34.119 18.688 1.00 0.00 C ATOM 1524 C ALA A 94 77.123 35.259 18.225 1.00 0.00 C ATOM 1525 O ALA A 94 76.022 35.046 17.716 1.00 0.00 O ATOM 1526 CB ALA A 94 79.150 33.894 17.691 1.00 0.00 C ATOM 0 H ALA A 94 77.505 32.140 18.229 1.00 0.00 H new ATOM 0 HA ALA A 94 78.454 34.399 19.649 1.00 0.00 H new ATOM 0 HB1 ALA A 94 79.712 34.819 17.562 1.00 0.00 H new ATOM 0 HB2 ALA A 94 79.815 33.115 18.063 1.00 0.00 H new ATOM 0 HB3 ALA A 94 78.732 33.586 16.733 1.00 0.00 H new ATOM 1532 N PRO A 95 77.599 36.500 18.405 1.00 0.00 N ATOM 1533 CA PRO A 95 76.853 37.699 18.012 1.00 0.00 C ATOM 1534 C PRO A 95 76.755 37.851 16.498 1.00 0.00 C ATOM 1535 O PRO A 95 77.692 38.316 15.849 1.00 0.00 O ATOM 1536 CB PRO A 95 77.676 38.842 18.612 1.00 0.00 C ATOM 1537 CG PRO A 95 79.058 38.297 18.720 1.00 0.00 C ATOM 1538 CD PRO A 95 78.903 36.828 19.005 1.00 0.00 C ATOM 0 HA PRO A 95 75.821 37.669 18.362 1.00 0.00 H new ATOM 0 HB2 PRO A 95 77.648 39.727 17.976 1.00 0.00 H new ATOM 0 HB3 PRO A 95 77.290 39.138 19.587 1.00 0.00 H new ATOM 0 HG2 PRO A 95 79.615 38.459 17.797 1.00 0.00 H new ATOM 0 HG3 PRO A 95 79.612 38.793 19.517 1.00 0.00 H new ATOM 0 HD2 PRO A 95 79.709 36.245 18.559 1.00 0.00 H new ATOM 0 HD3 PRO A 95 78.916 36.623 20.075 1.00 0.00 H new ATOM 1546 N VAL A 96 75.614 37.456 15.941 1.00 0.00 N ATOM 1547 CA VAL A 96 75.393 37.550 14.503 1.00 0.00 C ATOM 1548 C VAL A 96 74.187 38.427 14.188 1.00 0.00 C ATOM 1549 O VAL A 96 73.287 38.606 15.009 1.00 0.00 O ATOM 1550 CB VAL A 96 75.180 36.159 13.876 1.00 0.00 C ATOM 1551 CG1 VAL A 96 76.509 35.437 13.715 1.00 0.00 C ATOM 1552 CG2 VAL A 96 74.216 35.338 14.719 1.00 0.00 C ATOM 0 H VAL A 96 74.829 37.068 16.464 1.00 0.00 H new ATOM 0 HA VAL A 96 76.288 38.001 14.074 1.00 0.00 H new ATOM 0 HB VAL A 96 74.742 36.288 12.886 1.00 0.00 H new ATOM 0 HG11 VAL A 96 76.339 34.456 13.271 1.00 0.00 H new ATOM 0 HG12 VAL A 96 77.164 36.020 13.067 1.00 0.00 H new ATOM 0 HG13 VAL A 96 76.978 35.316 14.691 1.00 0.00 H new ATOM 0 HG21 VAL A 96 74.077 34.358 14.262 1.00 0.00 H new ATOM 0 HG22 VAL A 96 74.624 35.216 15.722 1.00 0.00 H new ATOM 0 HG23 VAL A 96 73.256 35.851 14.777 1.00 0.00 H new ATOM 1562 N PRO A 97 74.165 38.989 12.970 1.00 0.00 N ATOM 1563 CA PRO A 97 73.074 39.857 12.518 1.00 0.00 C ATOM 1564 C PRO A 97 71.776 39.088 12.294 1.00 0.00 C ATOM 1565 O PRO A 97 71.769 38.041 11.647 1.00 0.00 O ATOM 1566 CB PRO A 97 73.595 40.422 11.195 1.00 0.00 C ATOM 1567 CG PRO A 97 74.574 39.409 10.710 1.00 0.00 C ATOM 1568 CD PRO A 97 75.204 38.819 11.941 1.00 0.00 C ATOM 0 HA PRO A 97 72.828 40.620 13.256 1.00 0.00 H new ATOM 0 HB2 PRO A 97 72.785 40.565 10.479 1.00 0.00 H new ATOM 0 HB3 PRO A 97 74.068 41.393 11.338 1.00 0.00 H new ATOM 0 HG2 PRO A 97 74.078 38.639 10.118 1.00 0.00 H new ATOM 0 HG3 PRO A 97 75.326 39.869 10.069 1.00 0.00 H new ATOM 0 HD2 PRO A 97 75.460 37.769 11.798 1.00 0.00 H new ATOM 0 HD3 PRO A 97 76.124 39.338 12.210 1.00 0.00 H new ATOM 1576 N GLN A 98 70.681 39.614 12.834 1.00 0.00 N ATOM 1577 CA GLN A 98 69.378 38.975 12.692 1.00 0.00 C ATOM 1578 C GLN A 98 68.949 38.931 11.229 1.00 0.00 C ATOM 1579 O GLN A 98 68.250 38.012 10.806 1.00 0.00 O ATOM 1580 CB GLN A 98 68.329 39.719 13.522 1.00 0.00 C ATOM 1581 CG GLN A 98 68.354 39.358 14.998 1.00 0.00 C ATOM 1582 CD GLN A 98 67.654 40.389 15.862 1.00 0.00 C ATOM 1583 OE1 GLN A 98 66.664 40.087 16.529 1.00 0.00 O ATOM 1584 NE2 GLN A 98 68.167 41.614 15.855 1.00 0.00 N ATOM 0 H GLN A 98 70.670 40.480 13.373 1.00 0.00 H new ATOM 0 HA GLN A 98 69.461 37.951 13.057 1.00 0.00 H new ATOM 0 HB2 GLN A 98 68.488 40.792 13.416 1.00 0.00 H new ATOM 0 HB3 GLN A 98 67.339 39.502 13.120 1.00 0.00 H new ATOM 0 HG2 GLN A 98 67.878 38.388 15.139 1.00 0.00 H new ATOM 0 HG3 GLN A 98 69.388 39.256 15.326 1.00 0.00 H new ATOM 0 HE21 GLN A 98 68.989 41.819 15.287 1.00 0.00 H new ATOM 0 HE22 GLN A 98 67.739 42.349 16.418 1.00 0.00 H new ATOM 1593 N GLU A 99 69.373 39.932 10.463 1.00 0.00 N ATOM 1594 CA GLU A 99 69.031 40.007 9.048 1.00 0.00 C ATOM 1595 C GLU A 99 69.419 38.720 8.325 1.00 0.00 C ATOM 1596 O GLU A 99 68.743 38.293 7.388 1.00 0.00 O ATOM 1597 CB GLU A 99 69.729 41.202 8.394 1.00 0.00 C ATOM 1598 CG GLU A 99 71.220 40.995 8.183 1.00 0.00 C ATOM 1599 CD GLU A 99 72.010 42.284 8.301 1.00 0.00 C ATOM 1600 OE1 GLU A 99 71.467 43.349 7.941 1.00 0.00 O ATOM 1601 OE2 GLU A 99 73.173 42.226 8.755 1.00 0.00 O ATOM 0 H GLU A 99 69.953 40.701 10.799 1.00 0.00 H new ATOM 0 HA GLU A 99 67.952 40.137 8.968 1.00 0.00 H new ATOM 0 HB2 GLU A 99 69.259 41.405 7.432 1.00 0.00 H new ATOM 0 HB3 GLU A 99 69.578 42.085 9.015 1.00 0.00 H new ATOM 0 HG2 GLU A 99 71.591 40.278 8.915 1.00 0.00 H new ATOM 0 HG3 GLU A 99 71.387 40.560 7.198 1.00 0.00 H new ATOM 1608 N LEU A 100 70.512 38.107 8.767 1.00 0.00 N ATOM 1609 CA LEU A 100 70.991 36.869 8.163 1.00 0.00 C ATOM 1610 C LEU A 100 69.992 35.736 8.376 1.00 0.00 C ATOM 1611 O LEU A 100 69.762 34.920 7.483 1.00 0.00 O ATOM 1612 CB LEU A 100 72.350 36.484 8.751 1.00 0.00 C ATOM 1613 CG LEU A 100 73.573 36.838 7.905 1.00 0.00 C ATOM 1614 CD1 LEU A 100 73.564 36.056 6.600 1.00 0.00 C ATOM 1615 CD2 LEU A 100 73.617 38.334 7.632 1.00 0.00 C ATOM 0 H LEU A 100 71.083 38.447 9.541 1.00 0.00 H new ATOM 0 HA LEU A 100 71.100 37.035 7.091 1.00 0.00 H new ATOM 0 HB2 LEU A 100 72.453 36.968 9.722 1.00 0.00 H new ATOM 0 HB3 LEU A 100 72.355 35.409 8.928 1.00 0.00 H new ATOM 0 HG LEU A 100 74.469 36.564 8.463 1.00 0.00 H new ATOM 0 HD11 LEU A 100 74.442 36.321 6.011 1.00 0.00 H new ATOM 0 HD12 LEU A 100 73.581 34.988 6.816 1.00 0.00 H new ATOM 0 HD13 LEU A 100 72.663 36.298 6.037 1.00 0.00 H new ATOM 0 HD21 LEU A 100 74.494 38.568 7.029 1.00 0.00 H new ATOM 0 HD22 LEU A 100 72.717 38.632 7.095 1.00 0.00 H new ATOM 0 HD23 LEU A 100 73.672 38.875 8.577 1.00 0.00 H new ATOM 1627 N LEU A 101 69.400 35.693 9.565 1.00 0.00 N ATOM 1628 CA LEU A 101 68.423 34.662 9.896 1.00 0.00 C ATOM 1629 C LEU A 101 67.082 34.947 9.226 1.00 0.00 C ATOM 1630 O LEU A 101 66.326 34.028 8.913 1.00 0.00 O ATOM 1631 CB LEU A 101 68.239 34.573 11.412 1.00 0.00 C ATOM 1632 CG LEU A 101 69.487 34.211 12.219 1.00 0.00 C ATOM 1633 CD1 LEU A 101 70.507 33.507 11.338 1.00 0.00 C ATOM 1634 CD2 LEU A 101 70.093 35.456 12.850 1.00 0.00 C ATOM 0 H LEU A 101 69.580 36.360 10.315 1.00 0.00 H new ATOM 0 HA LEU A 101 68.799 33.708 9.525 1.00 0.00 H new ATOM 0 HB2 LEU A 101 67.865 35.532 11.770 1.00 0.00 H new ATOM 0 HB3 LEU A 101 67.468 33.832 11.622 1.00 0.00 H new ATOM 0 HG LEU A 101 69.195 33.529 13.017 1.00 0.00 H new ATOM 0 HD11 LEU A 101 71.388 33.257 11.929 1.00 0.00 H new ATOM 0 HD12 LEU A 101 70.070 32.594 10.934 1.00 0.00 H new ATOM 0 HD13 LEU A 101 70.795 34.165 10.518 1.00 0.00 H new ATOM 0 HD21 LEU A 101 70.980 35.180 13.420 1.00 0.00 H new ATOM 0 HD22 LEU A 101 70.370 36.162 12.067 1.00 0.00 H new ATOM 0 HD23 LEU A 101 69.364 35.919 13.515 1.00 0.00 H new ATOM 1646 N ASP A 102 66.796 36.226 9.007 1.00 0.00 N ATOM 1647 CA ASP A 102 65.548 36.632 8.370 1.00 0.00 C ATOM 1648 C ASP A 102 65.615 36.423 6.861 1.00 0.00 C ATOM 1649 O ASP A 102 64.612 36.102 6.224 1.00 0.00 O ATOM 1650 CB ASP A 102 65.246 38.098 8.682 1.00 0.00 C ATOM 1651 CG ASP A 102 63.812 38.474 8.366 1.00 0.00 C ATOM 1652 OD1 ASP A 102 62.899 37.721 8.767 1.00 0.00 O ATOM 1653 OD2 ASP A 102 63.602 39.520 7.717 1.00 0.00 O ATOM 0 H ASP A 102 67.411 36.999 9.261 1.00 0.00 H new ATOM 0 HA ASP A 102 64.746 36.011 8.769 1.00 0.00 H new ATOM 0 HB2 ASP A 102 65.445 38.290 9.736 1.00 0.00 H new ATOM 0 HB3 ASP A 102 65.920 38.735 8.109 1.00 0.00 H new ATOM 1658 N ARG A 103 66.804 36.610 6.295 1.00 0.00 N ATOM 1659 CA ARG A 103 67.001 36.445 4.860 1.00 0.00 C ATOM 1660 C ARG A 103 67.054 34.966 4.485 1.00 0.00 C ATOM 1661 O ARG A 103 66.604 34.571 3.409 1.00 0.00 O ATOM 1662 CB ARG A 103 68.289 37.141 4.417 1.00 0.00 C ATOM 1663 CG ARG A 103 69.545 36.332 4.696 1.00 0.00 C ATOM 1664 CD ARG A 103 69.978 35.536 3.475 1.00 0.00 C ATOM 1665 NE ARG A 103 70.207 36.394 2.315 1.00 0.00 N ATOM 1666 CZ ARG A 103 71.317 37.100 2.131 1.00 0.00 C ATOM 1667 NH1 ARG A 103 72.295 37.049 3.025 1.00 0.00 N ATOM 1668 NH2 ARG A 103 71.452 37.858 1.050 1.00 0.00 N ATOM 0 H ARG A 103 67.644 36.876 6.808 1.00 0.00 H new ATOM 0 HA ARG A 103 66.155 36.902 4.347 1.00 0.00 H new ATOM 0 HB2 ARG A 103 68.231 37.349 3.349 1.00 0.00 H new ATOM 0 HB3 ARG A 103 68.366 38.102 4.925 1.00 0.00 H new ATOM 0 HG2 ARG A 103 70.350 37.001 5.000 1.00 0.00 H new ATOM 0 HG3 ARG A 103 69.364 35.653 5.529 1.00 0.00 H new ATOM 0 HD2 ARG A 103 70.891 34.987 3.705 1.00 0.00 H new ATOM 0 HD3 ARG A 103 69.214 34.797 3.234 1.00 0.00 H new ATOM 0 HE ARG A 103 69.475 36.454 1.608 1.00 0.00 H new ATOM 0 HH11 ARG A 103 72.196 36.467 3.856 1.00 0.00 H new ATOM 0 HH12 ARG A 103 73.146 37.592 2.881 1.00 0.00 H new ATOM 0 HH21 ARG A 103 70.703 37.899 0.359 1.00 0.00 H new ATOM 0 HH22 ARG A 103 72.305 38.400 0.910 1.00 0.00 H new ATOM 1682 N VAL A 104 67.607 34.154 5.379 1.00 0.00 N ATOM 1683 CA VAL A 104 67.719 32.719 5.143 1.00 0.00 C ATOM 1684 C VAL A 104 66.376 32.024 5.338 1.00 0.00 C ATOM 1685 O VAL A 104 66.011 31.130 4.574 1.00 0.00 O ATOM 1686 CB VAL A 104 68.759 32.076 6.079 1.00 0.00 C ATOM 1687 CG1 VAL A 104 70.141 32.655 5.821 1.00 0.00 C ATOM 1688 CG2 VAL A 104 68.356 32.266 7.534 1.00 0.00 C ATOM 0 H VAL A 104 67.985 34.465 6.274 1.00 0.00 H new ATOM 0 HA VAL A 104 68.044 32.592 4.110 1.00 0.00 H new ATOM 0 HB VAL A 104 68.795 31.006 5.872 1.00 0.00 H new ATOM 0 HG11 VAL A 104 70.862 32.188 6.492 1.00 0.00 H new ATOM 0 HG12 VAL A 104 70.429 32.462 4.788 1.00 0.00 H new ATOM 0 HG13 VAL A 104 70.124 33.730 5.998 1.00 0.00 H new ATOM 0 HG21 VAL A 104 69.102 31.805 8.181 1.00 0.00 H new ATOM 0 HG22 VAL A 104 68.290 33.331 7.757 1.00 0.00 H new ATOM 0 HG23 VAL A 104 67.387 31.798 7.707 1.00 0.00 H new ATOM 1698 N LEU A 105 65.645 32.440 6.366 1.00 0.00 N ATOM 1699 CA LEU A 105 64.340 31.858 6.662 1.00 0.00 C ATOM 1700 C LEU A 105 63.302 32.296 5.634 1.00 0.00 C ATOM 1701 O LEU A 105 62.499 31.490 5.166 1.00 0.00 O ATOM 1702 CB LEU A 105 63.887 32.262 8.066 1.00 0.00 C ATOM 1703 CG LEU A 105 64.678 31.658 9.227 1.00 0.00 C ATOM 1704 CD1 LEU A 105 64.313 32.343 10.535 1.00 0.00 C ATOM 1705 CD2 LEU A 105 64.429 30.160 9.320 1.00 0.00 C ATOM 0 H LEU A 105 65.933 33.178 7.009 1.00 0.00 H new ATOM 0 HA LEU A 105 64.434 30.773 6.615 1.00 0.00 H new ATOM 0 HB2 LEU A 105 63.938 33.348 8.144 1.00 0.00 H new ATOM 0 HB3 LEU A 105 62.840 31.983 8.182 1.00 0.00 H new ATOM 0 HG LEU A 105 65.740 31.819 9.040 1.00 0.00 H new ATOM 0 HD11 LEU A 105 64.886 31.900 11.350 1.00 0.00 H new ATOM 0 HD12 LEU A 105 64.543 33.406 10.466 1.00 0.00 H new ATOM 0 HD13 LEU A 105 63.248 32.214 10.728 1.00 0.00 H new ATOM 0 HD21 LEU A 105 65.000 29.747 10.152 1.00 0.00 H new ATOM 0 HD22 LEU A 105 63.367 29.977 9.483 1.00 0.00 H new ATOM 0 HD23 LEU A 105 64.742 29.681 8.392 1.00 0.00 H new ATOM 1717 N ALA A 106 63.326 33.578 5.286 1.00 0.00 N ATOM 1718 CA ALA A 106 62.390 34.123 4.310 1.00 0.00 C ATOM 1719 C ALA A 106 62.619 33.514 2.931 1.00 0.00 C ATOM 1720 O ALA A 106 61.673 33.112 2.255 1.00 0.00 O ATOM 1721 CB ALA A 106 62.515 35.638 4.247 1.00 0.00 C ATOM 0 H ALA A 106 63.984 34.259 5.665 1.00 0.00 H new ATOM 0 HA ALA A 106 61.380 33.866 4.629 1.00 0.00 H new ATOM 0 HB1 ALA A 106 61.810 36.031 3.514 1.00 0.00 H new ATOM 0 HB2 ALA A 106 62.294 36.062 5.226 1.00 0.00 H new ATOM 0 HB3 ALA A 106 63.530 35.908 3.955 1.00 0.00 H new ATOM 1727 N ALA A 107 63.881 33.449 2.520 1.00 0.00 N ATOM 1728 CA ALA A 107 64.234 32.887 1.222 1.00 0.00 C ATOM 1729 C ALA A 107 63.955 31.389 1.178 1.00 0.00 C ATOM 1730 O ALA A 107 63.542 30.856 0.148 1.00 0.00 O ATOM 1731 CB ALA A 107 65.697 33.163 0.907 1.00 0.00 C ATOM 0 H ALA A 107 64.676 33.779 3.067 1.00 0.00 H new ATOM 0 HA ALA A 107 63.614 33.368 0.465 1.00 0.00 H new ATOM 0 HB1 ALA A 107 65.946 32.738 -0.065 1.00 0.00 H new ATOM 0 HB2 ALA A 107 65.868 34.239 0.887 1.00 0.00 H new ATOM 0 HB3 ALA A 107 66.326 32.710 1.673 1.00 0.00 H new ATOM 1737 N GLN A 108 64.184 30.716 2.300 1.00 0.00 N ATOM 1738 CA GLN A 108 63.959 29.278 2.388 1.00 0.00 C ATOM 1739 C GLN A 108 62.490 28.942 2.149 1.00 0.00 C ATOM 1740 O GLN A 108 62.164 28.093 1.320 1.00 0.00 O ATOM 1741 CB GLN A 108 64.398 28.753 3.756 1.00 0.00 C ATOM 1742 CG GLN A 108 64.269 27.246 3.900 1.00 0.00 C ATOM 1743 CD GLN A 108 62.852 26.810 4.220 1.00 0.00 C ATOM 1744 OE1 GLN A 108 62.187 27.398 5.073 1.00 0.00 O ATOM 1745 NE2 GLN A 108 62.383 25.773 3.536 1.00 0.00 N ATOM 0 H GLN A 108 64.525 31.143 3.161 1.00 0.00 H new ATOM 0 HA GLN A 108 64.555 28.795 1.614 1.00 0.00 H new ATOM 0 HB2 GLN A 108 65.436 29.039 3.929 1.00 0.00 H new ATOM 0 HB3 GLN A 108 63.801 29.236 4.530 1.00 0.00 H new ATOM 0 HG2 GLN A 108 64.592 26.767 2.976 1.00 0.00 H new ATOM 0 HG3 GLN A 108 64.938 26.901 4.688 1.00 0.00 H new ATOM 0 HE21 GLN A 108 62.969 25.315 2.838 1.00 0.00 H new ATOM 0 HE22 GLN A 108 61.437 25.434 3.709 1.00 0.00 H new ATOM 1754 N ALA A 109 61.608 29.613 2.882 1.00 0.00 N ATOM 1755 CA ALA A 109 60.174 29.387 2.750 1.00 0.00 C ATOM 1756 C ALA A 109 59.653 29.930 1.423 1.00 0.00 C ATOM 1757 O ALA A 109 58.670 29.427 0.879 1.00 0.00 O ATOM 1758 CB ALA A 109 59.429 30.025 3.912 1.00 0.00 C ATOM 0 H ALA A 109 61.862 30.318 3.574 1.00 0.00 H new ATOM 0 HA ALA A 109 59.998 28.311 2.768 1.00 0.00 H new ATOM 0 HB1 ALA A 109 58.359 29.848 3.800 1.00 0.00 H new ATOM 0 HB2 ALA A 109 59.773 29.587 4.849 1.00 0.00 H new ATOM 0 HB3 ALA A 109 59.620 31.098 3.921 1.00 0.00 H new ATOM 1764 N TYR A 110 60.318 30.959 0.909 1.00 0.00 N ATOM 1765 CA TYR A 110 59.919 31.572 -0.353 1.00 0.00 C ATOM 1766 C TYR A 110 60.087 30.593 -1.511 1.00 0.00 C ATOM 1767 O TYR A 110 59.221 30.487 -2.379 1.00 0.00 O ATOM 1768 CB TYR A 110 60.743 32.834 -0.613 1.00 0.00 C ATOM 1769 CG TYR A 110 60.021 34.113 -0.255 1.00 0.00 C ATOM 1770 CD1 TYR A 110 59.332 34.232 0.946 1.00 0.00 C ATOM 1771 CD2 TYR A 110 60.027 35.202 -1.118 1.00 0.00 C ATOM 1772 CE1 TYR A 110 58.670 35.399 1.277 1.00 0.00 C ATOM 1773 CE2 TYR A 110 59.369 36.373 -0.794 1.00 0.00 C ATOM 1774 CZ TYR A 110 58.692 36.466 0.404 1.00 0.00 C ATOM 1775 OH TYR A 110 58.034 37.630 0.729 1.00 0.00 O ATOM 0 H TYR A 110 61.135 31.386 1.346 1.00 0.00 H new ATOM 0 HA TYR A 110 58.866 31.842 -0.280 1.00 0.00 H new ATOM 0 HB2 TYR A 110 61.669 32.777 -0.041 1.00 0.00 H new ATOM 0 HB3 TYR A 110 61.020 32.866 -1.667 1.00 0.00 H new ATOM 0 HD1 TYR A 110 59.314 33.398 1.632 1.00 0.00 H new ATOM 0 HD2 TYR A 110 60.555 35.132 -2.058 1.00 0.00 H new ATOM 0 HE1 TYR A 110 58.138 35.475 2.214 1.00 0.00 H new ATOM 0 HE2 TYR A 110 59.385 37.211 -1.475 1.00 0.00 H new ATOM 0 HH TYR A 110 58.149 38.283 0.007 1.00 0.00 H new ATOM 1785 N TRP A 111 61.208 29.881 -1.516 1.00 0.00 N ATOM 1786 CA TRP A 111 61.491 28.909 -2.567 1.00 0.00 C ATOM 1787 C TRP A 111 60.665 27.642 -2.374 1.00 0.00 C ATOM 1788 O TRP A 111 60.488 26.858 -3.306 1.00 0.00 O ATOM 1789 CB TRP A 111 62.981 28.564 -2.584 1.00 0.00 C ATOM 1790 CG TRP A 111 63.831 29.631 -3.204 1.00 0.00 C ATOM 1791 CD1 TRP A 111 64.929 30.227 -2.654 1.00 0.00 C ATOM 1792 CD2 TRP A 111 63.650 30.230 -4.492 1.00 0.00 C ATOM 1793 NE1 TRP A 111 65.442 31.160 -3.523 1.00 0.00 N ATOM 1794 CE2 TRP A 111 64.676 31.180 -4.658 1.00 0.00 C ATOM 1795 CE3 TRP A 111 62.723 30.054 -5.523 1.00 0.00 C ATOM 1796 CZ2 TRP A 111 64.798 31.951 -5.811 1.00 0.00 C ATOM 1797 CZ3 TRP A 111 62.844 30.820 -6.667 1.00 0.00 C ATOM 1798 CH2 TRP A 111 63.876 31.758 -6.804 1.00 0.00 C ATOM 0 H TRP A 111 61.935 29.958 -0.805 1.00 0.00 H new ATOM 0 HA TRP A 111 61.218 29.356 -3.523 1.00 0.00 H new ATOM 0 HB2 TRP A 111 63.318 28.389 -1.562 1.00 0.00 H new ATOM 0 HB3 TRP A 111 63.125 27.632 -3.131 1.00 0.00 H new ATOM 0 HD1 TRP A 111 65.335 29.999 -1.679 1.00 0.00 H new ATOM 0 HE1 TRP A 111 66.261 31.743 -3.350 1.00 0.00 H new ATOM 0 HE3 TRP A 111 61.926 29.332 -5.427 1.00 0.00 H new ATOM 0 HZ2 TRP A 111 65.592 32.675 -5.918 1.00 0.00 H new ATOM 0 HZ3 TRP A 111 62.131 30.694 -7.469 1.00 0.00 H new ATOM 0 HH2 TRP A 111 63.945 32.340 -7.711 1.00 0.00 H new ATOM 1809 N SER A 112 60.162 27.448 -1.159 1.00 0.00 N ATOM 1810 CA SER A 112 59.357 26.274 -0.843 1.00 0.00 C ATOM 1811 C SER A 112 58.139 26.188 -1.757 1.00 0.00 C ATOM 1812 O SER A 112 57.194 26.966 -1.627 1.00 0.00 O ATOM 1813 CB SER A 112 58.910 26.314 0.619 1.00 0.00 C ATOM 1814 OG SER A 112 58.590 25.017 1.091 1.00 0.00 O ATOM 0 H SER A 112 60.298 28.089 -0.377 1.00 0.00 H new ATOM 0 HA SER A 112 59.973 25.389 -1.003 1.00 0.00 H new ATOM 0 HB2 SER A 112 59.702 26.742 1.233 1.00 0.00 H new ATOM 0 HB3 SER A 112 58.042 26.965 0.719 1.00 0.00 H new ATOM 0 HG SER A 112 58.309 25.070 2.028 1.00 0.00 H new