USER MOD reduce.3.24.130724 H: found=0, std=0, add=616, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 616 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 35 THR OG1 : rot 180:sc= 0.0449 USER MOD Single : A 48 HIS : no HD1:sc= -0.0845 X(o=-0.084,f=0) USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 THR OG1 : rot 78:sc= 0.505 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 THR OG1 : rot 96:sc= 1.41 USER MOD Single : A 82 HIS : no HD1:sc=-0.00728 X(o=-0.0073,f=-0.16) USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 SER OG : rot -27:sc= 0.414 USER MOD Single : A 89 GLN : amide:sc= -0.205 K(o=-0.21,f=-2.3!) USER MOD Single : A 90 GLN : amide:sc= -1.48 K(o=-1.5,f=-4.2!) USER MOD Single : A 98 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 108 GLN : amide:sc= -0.732 X(o=-0.73,f=-0.84) USER MOD Single : A 110 TYR OH : rot 180:sc= 0 USER MOD Single : A 112 SER OG : rot -67:sc= 1.16 USER MOD ----------------------------------------------------------------- ATOM 526 N PHE A 34 79.423 31.093 10.097 1.00 0.00 N ATOM 527 CA PHE A 34 80.513 31.693 9.337 1.00 0.00 C ATOM 528 C PHE A 34 80.444 33.216 9.396 1.00 0.00 C ATOM 529 O PHE A 34 79.422 33.789 9.777 1.00 0.00 O ATOM 530 CB PHE A 34 80.465 31.226 7.881 1.00 0.00 C ATOM 531 CG PHE A 34 81.442 30.128 7.571 1.00 0.00 C ATOM 532 CD1 PHE A 34 81.737 29.157 8.515 1.00 0.00 C ATOM 533 CD2 PHE A 34 82.068 30.068 6.336 1.00 0.00 C ATOM 534 CE1 PHE A 34 82.635 28.146 8.233 1.00 0.00 C ATOM 535 CE2 PHE A 34 82.967 29.058 6.048 1.00 0.00 C ATOM 536 CZ PHE A 34 83.252 28.097 6.998 1.00 0.00 C ATOM 0 HA PHE A 34 81.454 31.372 9.784 1.00 0.00 H new ATOM 0 HB2 PHE A 34 79.457 30.880 7.652 1.00 0.00 H new ATOM 0 HB3 PHE A 34 80.666 32.076 7.228 1.00 0.00 H new ATOM 0 HD1 PHE A 34 81.259 29.191 9.483 1.00 0.00 H new ATOM 0 HD2 PHE A 34 81.851 30.819 5.590 1.00 0.00 H new ATOM 0 HE1 PHE A 34 82.854 27.395 8.977 1.00 0.00 H new ATOM 0 HE2 PHE A 34 83.446 29.021 5.081 1.00 0.00 H new ATOM 0 HZ PHE A 34 83.956 27.309 6.776 1.00 0.00 H new ATOM 546 N THR A 35 81.539 33.868 9.018 1.00 0.00 N ATOM 547 CA THR A 35 81.604 35.324 9.030 1.00 0.00 C ATOM 548 C THR A 35 80.437 35.933 8.262 1.00 0.00 C ATOM 549 O THR A 35 79.868 35.300 7.373 1.00 0.00 O ATOM 550 CB THR A 35 82.925 35.831 8.421 1.00 0.00 C ATOM 551 OG1 THR A 35 83.993 34.937 8.753 1.00 0.00 O ATOM 552 CG2 THR A 35 83.252 37.229 8.926 1.00 0.00 C ATOM 0 H THR A 35 82.393 33.410 8.700 1.00 0.00 H new ATOM 0 HA THR A 35 81.550 35.635 10.073 1.00 0.00 H new ATOM 0 HB THR A 35 82.808 35.870 7.338 1.00 0.00 H new ATOM 0 HG1 THR A 35 84.829 35.266 8.361 1.00 0.00 H new ATOM 0 HG21 THR A 35 84.189 37.566 8.483 1.00 0.00 H new ATOM 0 HG22 THR A 35 82.451 37.913 8.646 1.00 0.00 H new ATOM 0 HG23 THR A 35 83.350 37.210 10.011 1.00 0.00 H new ATOM 560 N VAL A 36 80.085 37.166 8.611 1.00 0.00 N ATOM 561 CA VAL A 36 78.986 37.862 7.952 1.00 0.00 C ATOM 562 C VAL A 36 79.170 37.874 6.439 1.00 0.00 C ATOM 563 O VAL A 36 78.217 37.677 5.686 1.00 0.00 O ATOM 564 CB VAL A 36 78.859 39.313 8.454 1.00 0.00 C ATOM 565 CG1 VAL A 36 80.186 40.043 8.318 1.00 0.00 C ATOM 566 CG2 VAL A 36 77.759 40.044 7.699 1.00 0.00 C ATOM 0 H VAL A 36 80.545 37.704 9.346 1.00 0.00 H new ATOM 0 HA VAL A 36 78.074 37.318 8.199 1.00 0.00 H new ATOM 0 HB VAL A 36 78.590 39.291 9.510 1.00 0.00 H new ATOM 0 HG11 VAL A 36 80.077 41.066 8.677 1.00 0.00 H new ATOM 0 HG12 VAL A 36 80.946 39.530 8.908 1.00 0.00 H new ATOM 0 HG13 VAL A 36 80.488 40.057 7.271 1.00 0.00 H new ATOM 0 HG21 VAL A 36 77.683 41.067 8.067 1.00 0.00 H new ATOM 0 HG22 VAL A 36 77.995 40.057 6.635 1.00 0.00 H new ATOM 0 HG23 VAL A 36 76.809 39.532 7.854 1.00 0.00 H new ATOM 576 N ALA A 37 80.403 38.105 6.001 1.00 0.00 N ATOM 577 CA ALA A 37 80.714 38.140 4.577 1.00 0.00 C ATOM 578 C ALA A 37 80.668 36.741 3.971 1.00 0.00 C ATOM 579 O ALA A 37 80.113 36.541 2.891 1.00 0.00 O ATOM 580 CB ALA A 37 82.080 38.771 4.350 1.00 0.00 C ATOM 0 H ALA A 37 81.203 38.271 6.612 1.00 0.00 H new ATOM 0 HA ALA A 37 79.958 38.748 4.080 1.00 0.00 H new ATOM 0 HB1 ALA A 37 82.299 38.790 3.282 1.00 0.00 H new ATOM 0 HB2 ALA A 37 82.080 39.789 4.739 1.00 0.00 H new ATOM 0 HB3 ALA A 37 82.841 38.186 4.866 1.00 0.00 H new ATOM 586 N GLU A 38 81.256 35.777 4.673 1.00 0.00 N ATOM 587 CA GLU A 38 81.283 34.398 4.201 1.00 0.00 C ATOM 588 C GLU A 38 79.868 33.849 4.043 1.00 0.00 C ATOM 589 O GLU A 38 79.522 33.282 3.006 1.00 0.00 O ATOM 590 CB GLU A 38 82.077 33.520 5.171 1.00 0.00 C ATOM 591 CG GLU A 38 83.301 32.874 4.544 1.00 0.00 C ATOM 592 CD GLU A 38 82.943 31.777 3.559 1.00 0.00 C ATOM 593 OE1 GLU A 38 81.924 31.924 2.852 1.00 0.00 O ATOM 594 OE2 GLU A 38 83.682 30.773 3.497 1.00 0.00 O ATOM 0 H GLU A 38 81.719 35.926 5.569 1.00 0.00 H new ATOM 0 HA GLU A 38 81.770 34.384 3.226 1.00 0.00 H new ATOM 0 HB2 GLU A 38 82.391 34.125 6.021 1.00 0.00 H new ATOM 0 HB3 GLU A 38 81.423 32.739 5.560 1.00 0.00 H new ATOM 0 HG2 GLU A 38 83.889 33.637 4.034 1.00 0.00 H new ATOM 0 HG3 GLU A 38 83.931 32.459 5.331 1.00 0.00 H new ATOM 601 N VAL A 39 79.053 34.022 5.079 1.00 0.00 N ATOM 602 CA VAL A 39 77.676 33.546 5.056 1.00 0.00 C ATOM 603 C VAL A 39 76.834 34.346 4.069 1.00 0.00 C ATOM 604 O VAL A 39 75.900 33.819 3.465 1.00 0.00 O ATOM 605 CB VAL A 39 77.029 33.630 6.452 1.00 0.00 C ATOM 606 CG1 VAL A 39 75.519 33.481 6.351 1.00 0.00 C ATOM 607 CG2 VAL A 39 77.617 32.574 7.375 1.00 0.00 C ATOM 0 H VAL A 39 79.323 34.489 5.945 1.00 0.00 H new ATOM 0 HA VAL A 39 77.707 32.503 4.740 1.00 0.00 H new ATOM 0 HB VAL A 39 77.245 34.611 6.875 1.00 0.00 H new ATOM 0 HG11 VAL A 39 75.080 33.543 7.347 1.00 0.00 H new ATOM 0 HG12 VAL A 39 75.116 34.278 5.726 1.00 0.00 H new ATOM 0 HG13 VAL A 39 75.278 32.515 5.907 1.00 0.00 H new ATOM 0 HG21 VAL A 39 77.149 32.647 8.357 1.00 0.00 H new ATOM 0 HG22 VAL A 39 77.433 31.584 6.959 1.00 0.00 H new ATOM 0 HG23 VAL A 39 78.691 32.733 7.472 1.00 0.00 H new ATOM 617 N GLU A 40 77.172 35.622 3.909 1.00 0.00 N ATOM 618 CA GLU A 40 76.446 36.495 2.995 1.00 0.00 C ATOM 619 C GLU A 40 76.515 35.964 1.566 1.00 0.00 C ATOM 620 O GLU A 40 75.490 35.787 0.906 1.00 0.00 O ATOM 621 CB GLU A 40 77.014 37.915 3.051 1.00 0.00 C ATOM 622 CG GLU A 40 76.227 38.850 3.954 1.00 0.00 C ATOM 623 CD GLU A 40 76.864 40.220 4.072 1.00 0.00 C ATOM 624 OE1 GLU A 40 77.980 40.403 3.541 1.00 0.00 O ATOM 625 OE2 GLU A 40 76.248 41.110 4.694 1.00 0.00 O ATOM 0 H GLU A 40 77.944 36.073 4.400 1.00 0.00 H new ATOM 0 HA GLU A 40 75.402 36.517 3.307 1.00 0.00 H new ATOM 0 HB2 GLU A 40 78.046 37.871 3.399 1.00 0.00 H new ATOM 0 HB3 GLU A 40 77.035 38.329 2.043 1.00 0.00 H new ATOM 0 HG2 GLU A 40 75.214 38.957 3.566 1.00 0.00 H new ATOM 0 HG3 GLU A 40 76.143 38.406 4.946 1.00 0.00 H new ATOM 632 N LEU A 41 77.731 35.713 1.093 1.00 0.00 N ATOM 633 CA LEU A 41 77.935 35.203 -0.259 1.00 0.00 C ATOM 634 C LEU A 41 77.384 33.787 -0.396 1.00 0.00 C ATOM 635 O LEU A 41 76.825 33.425 -1.432 1.00 0.00 O ATOM 636 CB LEU A 41 79.424 35.218 -0.611 1.00 0.00 C ATOM 637 CG LEU A 41 80.130 36.568 -0.480 1.00 0.00 C ATOM 638 CD1 LEU A 41 81.500 36.394 0.157 1.00 0.00 C ATOM 639 CD2 LEU A 41 80.254 37.239 -1.840 1.00 0.00 C ATOM 0 H LEU A 41 78.590 35.854 1.625 1.00 0.00 H new ATOM 0 HA LEU A 41 77.397 35.851 -0.950 1.00 0.00 H new ATOM 0 HB2 LEU A 41 79.936 34.499 0.029 1.00 0.00 H new ATOM 0 HB3 LEU A 41 79.538 34.869 -1.637 1.00 0.00 H new ATOM 0 HG LEU A 41 79.530 37.209 0.166 1.00 0.00 H new ATOM 0 HD11 LEU A 41 81.988 37.365 0.242 1.00 0.00 H new ATOM 0 HD12 LEU A 41 81.387 35.956 1.149 1.00 0.00 H new ATOM 0 HD13 LEU A 41 82.109 35.736 -0.463 1.00 0.00 H new ATOM 0 HD21 LEU A 41 80.759 38.198 -1.728 1.00 0.00 H new ATOM 0 HD22 LEU A 41 80.832 36.601 -2.509 1.00 0.00 H new ATOM 0 HD23 LEU A 41 79.260 37.399 -2.259 1.00 0.00 H new ATOM 651 N LEU A 42 77.542 32.992 0.656 1.00 0.00 N ATOM 652 CA LEU A 42 77.057 31.616 0.655 1.00 0.00 C ATOM 653 C LEU A 42 75.545 31.571 0.465 1.00 0.00 C ATOM 654 O LEU A 42 75.051 31.113 -0.565 1.00 0.00 O ATOM 655 CB LEU A 42 77.440 30.918 1.961 1.00 0.00 C ATOM 656 CG LEU A 42 77.084 29.434 2.059 1.00 0.00 C ATOM 657 CD1 LEU A 42 77.982 28.735 3.068 1.00 0.00 C ATOM 658 CD2 LEU A 42 75.619 29.261 2.436 1.00 0.00 C ATOM 0 H LEU A 42 78.002 33.276 1.521 1.00 0.00 H new ATOM 0 HA LEU A 42 77.525 31.093 -0.179 1.00 0.00 H new ATOM 0 HB2 LEU A 42 78.515 31.023 2.104 1.00 0.00 H new ATOM 0 HB3 LEU A 42 76.956 31.442 2.785 1.00 0.00 H new ATOM 0 HG LEU A 42 77.244 28.976 1.083 1.00 0.00 H new ATOM 0 HD11 LEU A 42 77.714 27.680 3.124 1.00 0.00 H new ATOM 0 HD12 LEU A 42 79.022 28.829 2.756 1.00 0.00 H new ATOM 0 HD13 LEU A 42 77.854 29.194 4.048 1.00 0.00 H new ATOM 0 HD21 LEU A 42 75.383 28.199 2.501 1.00 0.00 H new ATOM 0 HD22 LEU A 42 75.433 29.734 3.400 1.00 0.00 H new ATOM 0 HD23 LEU A 42 74.990 29.726 1.677 1.00 0.00 H new ATOM 670 N VAL A 43 74.813 32.052 1.466 1.00 0.00 N ATOM 671 CA VAL A 43 73.357 32.070 1.408 1.00 0.00 C ATOM 672 C VAL A 43 72.865 32.767 0.144 1.00 0.00 C ATOM 673 O VAL A 43 71.937 32.299 -0.513 1.00 0.00 O ATOM 674 CB VAL A 43 72.755 32.777 2.637 1.00 0.00 C ATOM 675 CG1 VAL A 43 71.236 32.791 2.555 1.00 0.00 C ATOM 676 CG2 VAL A 43 73.222 32.104 3.919 1.00 0.00 C ATOM 0 H VAL A 43 75.205 32.434 2.326 1.00 0.00 H new ATOM 0 HA VAL A 43 73.028 31.031 1.398 1.00 0.00 H new ATOM 0 HB VAL A 43 73.103 33.810 2.648 1.00 0.00 H new ATOM 0 HG11 VAL A 43 70.829 33.295 3.432 1.00 0.00 H new ATOM 0 HG12 VAL A 43 70.925 33.321 1.655 1.00 0.00 H new ATOM 0 HG13 VAL A 43 70.864 31.767 2.519 1.00 0.00 H new ATOM 0 HG21 VAL A 43 72.788 32.616 4.778 1.00 0.00 H new ATOM 0 HG22 VAL A 43 72.904 31.061 3.919 1.00 0.00 H new ATOM 0 HG23 VAL A 43 74.309 32.152 3.980 1.00 0.00 H new ATOM 686 N GLU A 44 73.496 33.889 -0.190 1.00 0.00 N ATOM 687 CA GLU A 44 73.122 34.651 -1.376 1.00 0.00 C ATOM 688 C GLU A 44 73.321 33.821 -2.641 1.00 0.00 C ATOM 689 O GLU A 44 72.620 34.007 -3.634 1.00 0.00 O ATOM 690 CB GLU A 44 73.944 35.938 -1.462 1.00 0.00 C ATOM 691 CG GLU A 44 73.649 36.767 -2.701 1.00 0.00 C ATOM 692 CD GLU A 44 73.992 38.232 -2.518 1.00 0.00 C ATOM 693 OE1 GLU A 44 75.111 38.524 -2.046 1.00 0.00 O ATOM 694 OE2 GLU A 44 73.143 39.087 -2.847 1.00 0.00 O ATOM 0 H GLU A 44 74.268 34.290 0.343 1.00 0.00 H new ATOM 0 HA GLU A 44 72.066 34.908 -1.294 1.00 0.00 H new ATOM 0 HB2 GLU A 44 73.750 36.543 -0.576 1.00 0.00 H new ATOM 0 HB3 GLU A 44 75.004 35.684 -1.449 1.00 0.00 H new ATOM 0 HG2 GLU A 44 74.214 36.368 -3.543 1.00 0.00 H new ATOM 0 HG3 GLU A 44 72.593 36.674 -2.953 1.00 0.00 H new ATOM 701 N ALA A 45 74.283 32.905 -2.595 1.00 0.00 N ATOM 702 CA ALA A 45 74.575 32.046 -3.735 1.00 0.00 C ATOM 703 C ALA A 45 73.511 30.964 -3.894 1.00 0.00 C ATOM 704 O ALA A 45 72.959 30.777 -4.978 1.00 0.00 O ATOM 705 CB ALA A 45 75.952 31.416 -3.584 1.00 0.00 C ATOM 0 H ALA A 45 74.873 32.739 -1.780 1.00 0.00 H new ATOM 0 HA ALA A 45 74.567 32.663 -4.634 1.00 0.00 H new ATOM 0 HB1 ALA A 45 76.156 30.777 -4.443 1.00 0.00 H new ATOM 0 HB2 ALA A 45 76.707 32.200 -3.528 1.00 0.00 H new ATOM 0 HB3 ALA A 45 75.981 30.819 -2.673 1.00 0.00 H new ATOM 711 N VAL A 46 73.229 30.254 -2.806 1.00 0.00 N ATOM 712 CA VAL A 46 72.232 29.191 -2.824 1.00 0.00 C ATOM 713 C VAL A 46 70.823 29.762 -2.950 1.00 0.00 C ATOM 714 O VAL A 46 69.935 29.127 -3.518 1.00 0.00 O ATOM 715 CB VAL A 46 72.311 28.325 -1.553 1.00 0.00 C ATOM 716 CG1 VAL A 46 72.385 29.203 -0.313 1.00 0.00 C ATOM 717 CG2 VAL A 46 71.121 27.380 -1.477 1.00 0.00 C ATOM 0 H VAL A 46 73.677 30.396 -1.901 1.00 0.00 H new ATOM 0 HA VAL A 46 72.448 28.569 -3.692 1.00 0.00 H new ATOM 0 HB VAL A 46 73.220 27.725 -1.599 1.00 0.00 H new ATOM 0 HG11 VAL A 46 72.440 28.574 0.575 1.00 0.00 H new ATOM 0 HG12 VAL A 46 73.272 29.834 -0.366 1.00 0.00 H new ATOM 0 HG13 VAL A 46 71.496 29.831 -0.258 1.00 0.00 H new ATOM 0 HG21 VAL A 46 71.193 26.776 -0.573 1.00 0.00 H new ATOM 0 HG22 VAL A 46 70.198 27.959 -1.454 1.00 0.00 H new ATOM 0 HG23 VAL A 46 71.118 26.727 -2.350 1.00 0.00 H new ATOM 727 N GLU A 47 70.628 30.964 -2.418 1.00 0.00 N ATOM 728 CA GLU A 47 69.327 31.620 -2.472 1.00 0.00 C ATOM 729 C GLU A 47 69.002 32.069 -3.893 1.00 0.00 C ATOM 730 O GLU A 47 67.876 31.905 -4.366 1.00 0.00 O ATOM 731 CB GLU A 47 69.298 32.823 -1.526 1.00 0.00 C ATOM 732 CG GLU A 47 68.068 33.699 -1.694 1.00 0.00 C ATOM 733 CD GLU A 47 68.240 34.744 -2.779 1.00 0.00 C ATOM 734 OE1 GLU A 47 69.373 35.237 -2.955 1.00 0.00 O ATOM 735 OE2 GLU A 47 67.239 35.068 -3.453 1.00 0.00 O ATOM 0 H GLU A 47 71.353 31.503 -1.945 1.00 0.00 H new ATOM 0 HA GLU A 47 68.572 30.900 -2.156 1.00 0.00 H new ATOM 0 HB2 GLU A 47 69.342 32.467 -0.497 1.00 0.00 H new ATOM 0 HB3 GLU A 47 70.190 33.427 -1.693 1.00 0.00 H new ATOM 0 HG2 GLU A 47 67.209 33.071 -1.932 1.00 0.00 H new ATOM 0 HG3 GLU A 47 67.848 34.195 -0.749 1.00 0.00 H new ATOM 742 N HIS A 48 69.995 32.636 -4.570 1.00 0.00 N ATOM 743 CA HIS A 48 69.816 33.110 -5.938 1.00 0.00 C ATOM 744 C HIS A 48 69.316 31.986 -6.841 1.00 0.00 C ATOM 745 O HIS A 48 68.671 32.234 -7.861 1.00 0.00 O ATOM 746 CB HIS A 48 71.130 33.670 -6.483 1.00 0.00 C ATOM 747 CG HIS A 48 70.969 34.446 -7.754 1.00 0.00 C ATOM 748 ND1 HIS A 48 70.968 35.824 -7.799 1.00 0.00 N ATOM 749 CD2 HIS A 48 70.806 34.028 -9.031 1.00 0.00 C ATOM 750 CE1 HIS A 48 70.808 36.221 -9.049 1.00 0.00 C ATOM 751 NE2 HIS A 48 70.709 35.150 -9.817 1.00 0.00 N ATOM 0 H HIS A 48 70.932 32.779 -4.194 1.00 0.00 H new ATOM 0 HA HIS A 48 69.069 33.904 -5.926 1.00 0.00 H new ATOM 0 HB2 HIS A 48 71.582 34.314 -5.728 1.00 0.00 H new ATOM 0 HB3 HIS A 48 71.823 32.846 -6.655 1.00 0.00 H new ATOM 0 HD2 HIS A 48 70.761 33.003 -9.369 1.00 0.00 H new ATOM 0 HE1 HIS A 48 70.765 37.246 -9.386 1.00 0.00 H new ATOM 0 HE2 HIS A 48 70.581 35.156 -10.829 1.00 0.00 H new ATOM 759 N LEU A 49 69.617 30.749 -6.459 1.00 0.00 N ATOM 760 CA LEU A 49 69.199 29.586 -7.235 1.00 0.00 C ATOM 761 C LEU A 49 68.068 28.842 -6.532 1.00 0.00 C ATOM 762 O LEU A 49 67.385 28.016 -7.137 1.00 0.00 O ATOM 763 CB LEU A 49 70.383 28.645 -7.458 1.00 0.00 C ATOM 764 CG LEU A 49 71.651 29.284 -8.026 1.00 0.00 C ATOM 765 CD1 LEU A 49 72.889 28.654 -7.408 1.00 0.00 C ATOM 766 CD2 LEU A 49 71.682 29.149 -9.542 1.00 0.00 C ATOM 0 H LEU A 49 70.148 30.526 -5.617 1.00 0.00 H new ATOM 0 HA LEU A 49 68.835 29.935 -8.201 1.00 0.00 H new ATOM 0 HB2 LEU A 49 70.632 28.175 -6.507 1.00 0.00 H new ATOM 0 HB3 LEU A 49 70.067 27.850 -8.133 1.00 0.00 H new ATOM 0 HG LEU A 49 71.645 30.345 -7.775 1.00 0.00 H new ATOM 0 HD11 LEU A 49 73.781 29.121 -7.824 1.00 0.00 H new ATOM 0 HD12 LEU A 49 72.872 28.802 -6.328 1.00 0.00 H new ATOM 0 HD13 LEU A 49 72.902 27.586 -7.628 1.00 0.00 H new ATOM 0 HD21 LEU A 49 72.591 29.609 -9.930 1.00 0.00 H new ATOM 0 HD22 LEU A 49 71.665 28.094 -9.814 1.00 0.00 H new ATOM 0 HD23 LEU A 49 70.812 29.648 -9.970 1.00 0.00 H new ATOM 778 N GLY A 50 67.874 29.142 -5.251 1.00 0.00 N ATOM 779 CA GLY A 50 66.824 28.493 -4.488 1.00 0.00 C ATOM 780 C GLY A 50 67.368 27.518 -3.464 1.00 0.00 C ATOM 781 O GLY A 50 67.838 27.921 -2.399 1.00 0.00 O ATOM 0 H GLY A 50 68.425 29.823 -4.728 1.00 0.00 H new ATOM 0 HA2 GLY A 50 66.226 29.251 -3.981 1.00 0.00 H new ATOM 0 HA3 GLY A 50 66.158 27.965 -5.170 1.00 0.00 H new ATOM 785 N THR A 51 67.305 26.229 -3.784 1.00 0.00 N ATOM 786 CA THR A 51 67.793 25.193 -2.882 1.00 0.00 C ATOM 787 C THR A 51 68.700 24.210 -3.614 1.00 0.00 C ATOM 788 O THR A 51 69.708 23.759 -3.072 1.00 0.00 O ATOM 789 CB THR A 51 66.630 24.417 -2.236 1.00 0.00 C ATOM 790 OG1 THR A 51 65.690 25.332 -1.661 1.00 0.00 O ATOM 791 CG2 THR A 51 67.142 23.469 -1.163 1.00 0.00 C ATOM 0 H THR A 51 66.921 25.878 -4.661 1.00 0.00 H new ATOM 0 HA THR A 51 68.362 25.697 -2.101 1.00 0.00 H new ATOM 0 HB THR A 51 66.138 23.831 -3.012 1.00 0.00 H new ATOM 0 HG1 THR A 51 64.953 24.831 -1.254 1.00 0.00 H new ATOM 0 HG21 THR A 51 66.303 22.932 -0.721 1.00 0.00 H new ATOM 0 HG22 THR A 51 67.835 22.755 -1.609 1.00 0.00 H new ATOM 0 HG23 THR A 51 67.656 24.039 -0.389 1.00 0.00 H new ATOM 799 N GLY A 52 68.335 23.883 -4.850 1.00 0.00 N ATOM 800 CA GLY A 52 69.127 22.955 -5.636 1.00 0.00 C ATOM 801 C GLY A 52 70.289 23.633 -6.335 1.00 0.00 C ATOM 802 O GLY A 52 70.713 24.719 -5.938 1.00 0.00 O ATOM 0 H GLY A 52 67.505 24.244 -5.321 1.00 0.00 H new ATOM 0 HA2 GLY A 52 69.507 22.166 -4.987 1.00 0.00 H new ATOM 0 HA3 GLY A 52 68.489 22.476 -6.379 1.00 0.00 H new ATOM 806 N ARG A 53 70.806 22.992 -7.378 1.00 0.00 N ATOM 807 CA ARG A 53 71.928 23.539 -8.132 1.00 0.00 C ATOM 808 C ARG A 53 73.153 23.708 -7.238 1.00 0.00 C ATOM 809 O ARG A 53 73.766 24.775 -7.203 1.00 0.00 O ATOM 810 CB ARG A 53 71.546 24.884 -8.751 1.00 0.00 C ATOM 811 CG ARG A 53 70.157 24.898 -9.369 1.00 0.00 C ATOM 812 CD ARG A 53 70.130 25.702 -10.660 1.00 0.00 C ATOM 813 NE ARG A 53 68.775 26.106 -11.025 1.00 0.00 N ATOM 814 CZ ARG A 53 68.503 26.982 -11.986 1.00 0.00 C ATOM 815 NH1 ARG A 53 69.488 27.543 -12.675 1.00 0.00 N ATOM 816 NH2 ARG A 53 67.244 27.299 -12.259 1.00 0.00 N ATOM 0 H ARG A 53 70.466 22.093 -7.720 1.00 0.00 H new ATOM 0 HA ARG A 53 72.175 22.837 -8.928 1.00 0.00 H new ATOM 0 HB2 ARG A 53 71.601 25.656 -7.984 1.00 0.00 H new ATOM 0 HB3 ARG A 53 72.278 25.143 -9.516 1.00 0.00 H new ATOM 0 HG2 ARG A 53 69.836 23.876 -9.569 1.00 0.00 H new ATOM 0 HG3 ARG A 53 69.446 25.322 -8.660 1.00 0.00 H new ATOM 0 HD2 ARG A 53 70.755 26.588 -10.548 1.00 0.00 H new ATOM 0 HD3 ARG A 53 70.561 25.108 -11.466 1.00 0.00 H new ATOM 0 HE ARG A 53 67.995 25.693 -10.514 1.00 0.00 H new ATOM 0 HH11 ARG A 53 70.457 27.302 -12.468 1.00 0.00 H new ATOM 0 HH12 ARG A 53 69.276 28.215 -13.412 1.00 0.00 H new ATOM 0 HH21 ARG A 53 66.484 26.870 -11.731 1.00 0.00 H new ATOM 0 HH22 ARG A 53 67.036 27.972 -12.997 1.00 0.00 H new ATOM 830 N TRP A 54 73.503 22.649 -6.517 1.00 0.00 N ATOM 831 CA TRP A 54 74.654 22.680 -5.622 1.00 0.00 C ATOM 832 C TRP A 54 75.894 23.188 -6.349 1.00 0.00 C ATOM 833 O TRP A 54 76.775 23.797 -5.741 1.00 0.00 O ATOM 834 CB TRP A 54 74.919 21.287 -5.049 1.00 0.00 C ATOM 835 CG TRP A 54 74.810 20.194 -6.070 1.00 0.00 C ATOM 836 CD1 TRP A 54 73.713 19.425 -6.333 1.00 0.00 C ATOM 837 CD2 TRP A 54 75.839 19.749 -6.961 1.00 0.00 C ATOM 838 NE1 TRP A 54 73.997 18.528 -7.335 1.00 0.00 N ATOM 839 CE2 TRP A 54 75.294 18.707 -7.737 1.00 0.00 C ATOM 840 CE3 TRP A 54 77.165 20.130 -7.180 1.00 0.00 C ATOM 841 CZ2 TRP A 54 76.032 18.043 -8.714 1.00 0.00 C ATOM 842 CZ3 TRP A 54 77.896 19.470 -8.149 1.00 0.00 C ATOM 843 CH2 TRP A 54 77.329 18.437 -8.907 1.00 0.00 C ATOM 0 H TRP A 54 73.006 21.758 -6.535 1.00 0.00 H new ATOM 0 HA TRP A 54 74.428 23.364 -4.804 1.00 0.00 H new ATOM 0 HB2 TRP A 54 75.916 21.266 -4.610 1.00 0.00 H new ATOM 0 HB3 TRP A 54 74.212 21.093 -4.243 1.00 0.00 H new ATOM 0 HD1 TRP A 54 72.762 19.509 -5.828 1.00 0.00 H new ATOM 0 HE1 TRP A 54 73.347 17.841 -7.717 1.00 0.00 H new ATOM 0 HE3 TRP A 54 77.611 20.926 -6.602 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 75.597 17.246 -9.298 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 78.923 19.755 -8.325 1.00 0.00 H new ATOM 0 HH2 TRP A 54 77.927 17.942 -9.658 1.00 0.00 H new ATOM 854 N ARG A 55 75.957 22.934 -7.652 1.00 0.00 N ATOM 855 CA ARG A 55 77.091 23.366 -8.461 1.00 0.00 C ATOM 856 C ARG A 55 77.011 24.861 -8.755 1.00 0.00 C ATOM 857 O ARG A 55 78.006 25.579 -8.649 1.00 0.00 O ATOM 858 CB ARG A 55 77.138 22.579 -9.772 1.00 0.00 C ATOM 859 CG ARG A 55 78.000 23.230 -10.842 1.00 0.00 C ATOM 860 CD ARG A 55 78.662 22.190 -11.732 1.00 0.00 C ATOM 861 NE ARG A 55 79.339 22.799 -12.874 1.00 0.00 N ATOM 862 CZ ARG A 55 78.700 23.364 -13.892 1.00 0.00 C ATOM 863 NH1 ARG A 55 77.375 23.398 -13.911 1.00 0.00 N ATOM 864 NH2 ARG A 55 79.387 23.897 -14.895 1.00 0.00 N ATOM 0 H ARG A 55 75.236 22.431 -8.170 1.00 0.00 H new ATOM 0 HA ARG A 55 78.003 23.173 -7.896 1.00 0.00 H new ATOM 0 HB2 ARG A 55 77.518 21.577 -9.571 1.00 0.00 H new ATOM 0 HB3 ARG A 55 76.124 22.465 -10.154 1.00 0.00 H new ATOM 0 HG2 ARG A 55 77.387 23.894 -11.451 1.00 0.00 H new ATOM 0 HG3 ARG A 55 78.765 23.846 -10.370 1.00 0.00 H new ATOM 0 HD2 ARG A 55 79.382 21.617 -11.147 1.00 0.00 H new ATOM 0 HD3 ARG A 55 77.910 21.487 -12.089 1.00 0.00 H new ATOM 0 HE ARG A 55 80.359 22.790 -12.891 1.00 0.00 H new ATOM 0 HH11 ARG A 55 76.843 22.990 -13.142 1.00 0.00 H new ATOM 0 HH12 ARG A 55 76.887 23.833 -14.694 1.00 0.00 H new ATOM 0 HH21 ARG A 55 80.407 23.873 -14.884 1.00 0.00 H new ATOM 0 HH22 ARG A 55 78.895 24.331 -15.676 1.00 0.00 H new ATOM 878 N ASP A 56 75.822 25.323 -9.124 1.00 0.00 N ATOM 879 CA ASP A 56 75.612 26.733 -9.433 1.00 0.00 C ATOM 880 C ASP A 56 76.002 27.613 -8.249 1.00 0.00 C ATOM 881 O ASP A 56 76.725 28.597 -8.405 1.00 0.00 O ATOM 882 CB ASP A 56 74.151 26.982 -9.810 1.00 0.00 C ATOM 883 CG ASP A 56 73.768 26.314 -11.116 1.00 0.00 C ATOM 884 OD1 ASP A 56 73.999 25.094 -11.248 1.00 0.00 O ATOM 885 OD2 ASP A 56 73.236 27.011 -12.005 1.00 0.00 O ATOM 0 H ASP A 56 74.989 24.742 -9.217 1.00 0.00 H new ATOM 0 HA ASP A 56 76.247 26.993 -10.280 1.00 0.00 H new ATOM 0 HB2 ASP A 56 73.505 26.613 -9.013 1.00 0.00 H new ATOM 0 HB3 ASP A 56 73.977 28.055 -9.890 1.00 0.00 H new ATOM 890 N VAL A 57 75.516 27.252 -7.065 1.00 0.00 N ATOM 891 CA VAL A 57 75.814 28.009 -5.855 1.00 0.00 C ATOM 892 C VAL A 57 77.284 27.879 -5.473 1.00 0.00 C ATOM 893 O VAL A 57 77.890 28.821 -4.962 1.00 0.00 O ATOM 894 CB VAL A 57 74.944 27.540 -4.673 1.00 0.00 C ATOM 895 CG1 VAL A 57 74.840 26.023 -4.654 1.00 0.00 C ATOM 896 CG2 VAL A 57 75.508 28.060 -3.359 1.00 0.00 C ATOM 0 H VAL A 57 74.915 26.441 -6.918 1.00 0.00 H new ATOM 0 HA VAL A 57 75.590 29.054 -6.071 1.00 0.00 H new ATOM 0 HB VAL A 57 73.941 27.947 -4.799 1.00 0.00 H new ATOM 0 HG11 VAL A 57 74.222 25.711 -3.812 1.00 0.00 H new ATOM 0 HG12 VAL A 57 74.388 25.678 -5.584 1.00 0.00 H new ATOM 0 HG13 VAL A 57 75.836 25.591 -4.552 1.00 0.00 H new ATOM 0 HG21 VAL A 57 74.882 27.720 -2.534 1.00 0.00 H new ATOM 0 HG22 VAL A 57 76.522 27.684 -3.224 1.00 0.00 H new ATOM 0 HG23 VAL A 57 75.525 29.150 -3.376 1.00 0.00 H new ATOM 906 N LYS A 58 77.853 26.705 -5.724 1.00 0.00 N ATOM 907 CA LYS A 58 79.254 26.450 -5.409 1.00 0.00 C ATOM 908 C LYS A 58 80.161 27.457 -6.108 1.00 0.00 C ATOM 909 O LYS A 58 81.095 27.988 -5.508 1.00 0.00 O ATOM 910 CB LYS A 58 79.640 25.027 -5.821 1.00 0.00 C ATOM 911 CG LYS A 58 81.073 24.662 -5.475 1.00 0.00 C ATOM 912 CD LYS A 58 81.603 23.565 -6.383 1.00 0.00 C ATOM 913 CE LYS A 58 82.746 22.804 -5.729 1.00 0.00 C ATOM 914 NZ LYS A 58 84.058 23.472 -5.953 1.00 0.00 N ATOM 0 H LYS A 58 77.365 25.914 -6.145 1.00 0.00 H new ATOM 0 HA LYS A 58 79.384 26.558 -4.332 1.00 0.00 H new ATOM 0 HB2 LYS A 58 78.966 24.321 -5.335 1.00 0.00 H new ATOM 0 HB3 LYS A 58 79.495 24.917 -6.896 1.00 0.00 H new ATOM 0 HG2 LYS A 58 81.706 25.545 -5.562 1.00 0.00 H new ATOM 0 HG3 LYS A 58 81.125 24.334 -4.437 1.00 0.00 H new ATOM 0 HD2 LYS A 58 80.797 22.873 -6.628 1.00 0.00 H new ATOM 0 HD3 LYS A 58 81.945 24.002 -7.321 1.00 0.00 H new ATOM 0 HE2 LYS A 58 82.560 22.719 -4.658 1.00 0.00 H new ATOM 0 HE3 LYS A 58 82.782 21.790 -6.128 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 84.811 22.922 -5.492 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 84.248 23.530 -6.974 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 84.033 24.430 -5.550 1.00 0.00 H new ATOM 928 N PHE A 59 79.879 27.717 -7.381 1.00 0.00 N ATOM 929 CA PHE A 59 80.669 28.661 -8.162 1.00 0.00 C ATOM 930 C PHE A 59 80.163 30.087 -7.966 1.00 0.00 C ATOM 931 O PHE A 59 80.948 31.015 -7.774 1.00 0.00 O ATOM 932 CB PHE A 59 80.623 28.291 -9.646 1.00 0.00 C ATOM 933 CG PHE A 59 81.515 29.144 -10.503 1.00 0.00 C ATOM 934 CD1 PHE A 59 81.105 30.401 -10.916 1.00 0.00 C ATOM 935 CD2 PHE A 59 82.762 28.687 -10.897 1.00 0.00 C ATOM 936 CE1 PHE A 59 81.923 31.188 -11.705 1.00 0.00 C ATOM 937 CE2 PHE A 59 83.585 29.469 -11.686 1.00 0.00 C ATOM 938 CZ PHE A 59 83.164 30.721 -12.091 1.00 0.00 C ATOM 0 H PHE A 59 79.109 27.287 -7.893 1.00 0.00 H new ATOM 0 HA PHE A 59 81.700 28.609 -7.813 1.00 0.00 H new ATOM 0 HB2 PHE A 59 80.912 27.246 -9.761 1.00 0.00 H new ATOM 0 HB3 PHE A 59 79.597 28.379 -10.003 1.00 0.00 H new ATOM 0 HD1 PHE A 59 80.135 30.771 -10.618 1.00 0.00 H new ATOM 0 HD2 PHE A 59 83.095 27.708 -10.584 1.00 0.00 H new ATOM 0 HE1 PHE A 59 81.592 32.167 -12.019 1.00 0.00 H new ATOM 0 HE2 PHE A 59 84.556 29.102 -11.985 1.00 0.00 H new ATOM 0 HZ PHE A 59 83.804 31.333 -12.708 1.00 0.00 H new ATOM 948 N ARG A 60 78.845 30.253 -8.016 1.00 0.00 N ATOM 949 CA ARG A 60 78.233 31.565 -7.845 1.00 0.00 C ATOM 950 C ARG A 60 78.743 32.242 -6.576 1.00 0.00 C ATOM 951 O ARG A 60 78.982 33.449 -6.559 1.00 0.00 O ATOM 952 CB ARG A 60 76.709 31.438 -7.792 1.00 0.00 C ATOM 953 CG ARG A 60 75.989 32.774 -7.711 1.00 0.00 C ATOM 954 CD ARG A 60 75.649 33.307 -9.094 1.00 0.00 C ATOM 955 NE ARG A 60 76.816 33.877 -9.763 1.00 0.00 N ATOM 956 CZ ARG A 60 76.886 34.079 -11.074 1.00 0.00 C ATOM 957 NH1 ARG A 60 75.862 33.758 -11.853 1.00 0.00 N ATOM 958 NH2 ARG A 60 77.981 34.602 -11.609 1.00 0.00 N ATOM 0 H ARG A 60 78.181 29.495 -8.174 1.00 0.00 H new ATOM 0 HA ARG A 60 78.509 32.181 -8.701 1.00 0.00 H new ATOM 0 HB2 ARG A 60 76.366 30.903 -8.678 1.00 0.00 H new ATOM 0 HB3 ARG A 60 76.433 30.833 -6.928 1.00 0.00 H new ATOM 0 HG2 ARG A 60 75.075 32.661 -7.128 1.00 0.00 H new ATOM 0 HG3 ARG A 60 76.615 33.495 -7.186 1.00 0.00 H new ATOM 0 HD2 ARG A 60 75.240 32.501 -9.703 1.00 0.00 H new ATOM 0 HD3 ARG A 60 74.873 34.067 -9.009 1.00 0.00 H new ATOM 0 HE ARG A 60 77.621 34.134 -9.192 1.00 0.00 H new ATOM 0 HH11 ARG A 60 75.018 33.355 -11.446 1.00 0.00 H new ATOM 0 HH12 ARG A 60 75.918 33.914 -12.859 1.00 0.00 H new ATOM 0 HH21 ARG A 60 78.771 34.850 -11.014 1.00 0.00 H new ATOM 0 HH22 ARG A 60 78.033 34.756 -12.616 1.00 0.00 H new ATOM 972 N ALA A 61 78.905 31.456 -5.517 1.00 0.00 N ATOM 973 CA ALA A 61 79.388 31.979 -4.245 1.00 0.00 C ATOM 974 C ALA A 61 80.831 32.458 -4.360 1.00 0.00 C ATOM 975 O ALA A 61 81.104 33.657 -4.299 1.00 0.00 O ATOM 976 CB ALA A 61 79.266 30.921 -3.159 1.00 0.00 C ATOM 0 H ALA A 61 78.709 30.455 -5.515 1.00 0.00 H new ATOM 0 HA ALA A 61 78.770 32.835 -3.974 1.00 0.00 H new ATOM 0 HB1 ALA A 61 79.630 31.325 -2.215 1.00 0.00 H new ATOM 0 HB2 ALA A 61 78.221 30.630 -3.050 1.00 0.00 H new ATOM 0 HB3 ALA A 61 79.859 30.048 -3.433 1.00 0.00 H new ATOM 982 N PHE A 62 81.751 31.514 -4.526 1.00 0.00 N ATOM 983 CA PHE A 62 83.167 31.840 -4.648 1.00 0.00 C ATOM 984 C PHE A 62 83.990 30.590 -4.945 1.00 0.00 C ATOM 985 O PHE A 62 84.285 29.802 -4.047 1.00 0.00 O ATOM 986 CB PHE A 62 83.672 32.504 -3.365 1.00 0.00 C ATOM 987 CG PHE A 62 83.871 33.987 -3.496 1.00 0.00 C ATOM 988 CD1 PHE A 62 84.755 34.501 -4.430 1.00 0.00 C ATOM 989 CD2 PHE A 62 83.172 34.867 -2.684 1.00 0.00 C ATOM 990 CE1 PHE A 62 84.940 35.865 -4.551 1.00 0.00 C ATOM 991 CE2 PHE A 62 83.353 36.232 -2.801 1.00 0.00 C ATOM 992 CZ PHE A 62 84.238 36.732 -3.737 1.00 0.00 C ATOM 0 H PHE A 62 81.542 30.517 -4.579 1.00 0.00 H new ATOM 0 HA PHE A 62 83.283 32.536 -5.479 1.00 0.00 H new ATOM 0 HB2 PHE A 62 82.962 32.310 -2.561 1.00 0.00 H new ATOM 0 HB3 PHE A 62 84.616 32.043 -3.074 1.00 0.00 H new ATOM 0 HD1 PHE A 62 85.306 33.828 -5.071 1.00 0.00 H new ATOM 0 HD2 PHE A 62 82.478 34.481 -1.952 1.00 0.00 H new ATOM 0 HE1 PHE A 62 85.634 36.253 -5.282 1.00 0.00 H new ATOM 0 HE2 PHE A 62 82.803 36.907 -2.162 1.00 0.00 H new ATOM 0 HZ PHE A 62 84.380 37.798 -3.832 1.00 0.00 H new ATOM 1002 N GLU A 63 84.355 30.416 -6.211 1.00 0.00 N ATOM 1003 CA GLU A 63 85.142 29.260 -6.626 1.00 0.00 C ATOM 1004 C GLU A 63 86.557 29.334 -6.059 1.00 0.00 C ATOM 1005 O GLU A 63 87.318 28.370 -6.136 1.00 0.00 O ATOM 1006 CB GLU A 63 85.197 29.174 -8.153 1.00 0.00 C ATOM 1007 CG GLU A 63 85.603 30.477 -8.822 1.00 0.00 C ATOM 1008 CD GLU A 63 84.413 31.278 -9.312 1.00 0.00 C ATOM 1009 OE1 GLU A 63 83.274 30.948 -8.918 1.00 0.00 O ATOM 1010 OE2 GLU A 63 84.619 32.233 -10.088 1.00 0.00 O ATOM 0 H GLU A 63 84.119 31.060 -6.966 1.00 0.00 H new ATOM 0 HA GLU A 63 84.659 28.364 -6.236 1.00 0.00 H new ATOM 0 HB2 GLU A 63 85.902 28.393 -8.439 1.00 0.00 H new ATOM 0 HB3 GLU A 63 84.218 28.873 -8.527 1.00 0.00 H new ATOM 0 HG2 GLU A 63 86.176 31.079 -8.117 1.00 0.00 H new ATOM 0 HG3 GLU A 63 86.261 30.259 -9.664 1.00 0.00 H new ATOM 1081 N ARG A 68 85.639 25.535 0.678 1.00 0.00 N ATOM 1082 CA ARG A 68 84.190 25.532 0.519 1.00 0.00 C ATOM 1083 C ARG A 68 83.775 24.665 -0.667 1.00 0.00 C ATOM 1084 O ARG A 68 84.243 24.864 -1.789 1.00 0.00 O ATOM 1085 CB ARG A 68 83.672 26.958 0.327 1.00 0.00 C ATOM 1086 CG ARG A 68 82.748 27.426 1.439 1.00 0.00 C ATOM 1087 CD ARG A 68 83.482 27.526 2.768 1.00 0.00 C ATOM 1088 NE ARG A 68 82.992 26.551 3.738 1.00 0.00 N ATOM 1089 CZ ARG A 68 81.808 26.636 4.333 1.00 0.00 C ATOM 1090 NH1 ARG A 68 80.996 27.648 4.059 1.00 0.00 N ATOM 1091 NH2 ARG A 68 81.434 25.709 5.205 1.00 0.00 N ATOM 0 HA ARG A 68 83.752 25.113 1.425 1.00 0.00 H new ATOM 0 HB2 ARG A 68 84.521 27.638 0.262 1.00 0.00 H new ATOM 0 HB3 ARG A 68 83.142 27.018 -0.624 1.00 0.00 H new ATOM 0 HG2 ARG A 68 82.328 28.398 1.180 1.00 0.00 H new ATOM 0 HG3 ARG A 68 81.912 26.733 1.535 1.00 0.00 H new ATOM 0 HD2 ARG A 68 84.549 27.371 2.606 1.00 0.00 H new ATOM 0 HD3 ARG A 68 83.364 28.531 3.173 1.00 0.00 H new ATOM 0 HE ARG A 68 83.593 25.760 3.972 1.00 0.00 H new ATOM 0 HH11 ARG A 68 81.280 28.363 3.390 1.00 0.00 H new ATOM 0 HH12 ARG A 68 80.087 27.711 4.517 1.00 0.00 H new ATOM 0 HH21 ARG A 68 82.056 24.930 5.419 1.00 0.00 H new ATOM 0 HH22 ARG A 68 80.524 25.776 5.661 1.00 0.00 H new ATOM 1105 N THR A 69 82.895 23.702 -0.411 1.00 0.00 N ATOM 1106 CA THR A 69 82.419 22.804 -1.456 1.00 0.00 C ATOM 1107 C THR A 69 80.928 22.996 -1.708 1.00 0.00 C ATOM 1108 O THR A 69 80.208 23.525 -0.861 1.00 0.00 O ATOM 1109 CB THR A 69 82.681 21.331 -1.092 1.00 0.00 C ATOM 1110 OG1 THR A 69 83.972 21.198 -0.488 1.00 0.00 O ATOM 1111 CG2 THR A 69 82.601 20.446 -2.327 1.00 0.00 C ATOM 0 H THR A 69 82.497 23.524 0.511 1.00 0.00 H new ATOM 0 HA THR A 69 82.973 23.051 -2.362 1.00 0.00 H new ATOM 0 HB THR A 69 81.915 21.013 -0.385 1.00 0.00 H new ATOM 0 HG1 THR A 69 83.929 21.494 0.445 1.00 0.00 H new ATOM 0 HG21 THR A 69 82.790 19.410 -2.045 1.00 0.00 H new ATOM 0 HG22 THR A 69 81.608 20.527 -2.769 1.00 0.00 H new ATOM 0 HG23 THR A 69 83.348 20.766 -3.053 1.00 0.00 H new ATOM 1119 N TYR A 70 80.470 22.562 -2.877 1.00 0.00 N ATOM 1120 CA TYR A 70 79.064 22.688 -3.241 1.00 0.00 C ATOM 1121 C TYR A 70 78.163 22.179 -2.121 1.00 0.00 C ATOM 1122 O TYR A 70 77.182 22.825 -1.754 1.00 0.00 O ATOM 1123 CB TYR A 70 78.779 21.916 -4.531 1.00 0.00 C ATOM 1124 CG TYR A 70 79.136 20.449 -4.450 1.00 0.00 C ATOM 1125 CD1 TYR A 70 80.442 20.020 -4.655 1.00 0.00 C ATOM 1126 CD2 TYR A 70 78.169 19.493 -4.167 1.00 0.00 C ATOM 1127 CE1 TYR A 70 80.773 18.680 -4.583 1.00 0.00 C ATOM 1128 CE2 TYR A 70 78.491 18.151 -4.092 1.00 0.00 C ATOM 1129 CZ TYR A 70 79.794 17.750 -4.301 1.00 0.00 C ATOM 1130 OH TYR A 70 80.120 16.415 -4.227 1.00 0.00 O ATOM 0 H TYR A 70 81.052 22.120 -3.589 1.00 0.00 H new ATOM 0 HA TYR A 70 78.850 23.745 -3.402 1.00 0.00 H new ATOM 0 HB2 TYR A 70 77.721 22.011 -4.775 1.00 0.00 H new ATOM 0 HB3 TYR A 70 79.337 22.373 -5.349 1.00 0.00 H new ATOM 0 HD1 TYR A 70 81.211 20.746 -4.874 1.00 0.00 H new ATOM 0 HD2 TYR A 70 77.148 19.804 -4.003 1.00 0.00 H new ATOM 0 HE1 TYR A 70 81.792 18.363 -4.747 1.00 0.00 H new ATOM 0 HE2 TYR A 70 77.727 17.421 -3.871 1.00 0.00 H new ATOM 0 HH TYR A 70 79.317 15.893 -4.019 1.00 0.00 H new ATOM 1140 N VAL A 71 78.505 21.014 -1.579 1.00 0.00 N ATOM 1141 CA VAL A 71 77.729 20.416 -0.498 1.00 0.00 C ATOM 1142 C VAL A 71 77.823 21.253 0.773 1.00 0.00 C ATOM 1143 O VAL A 71 76.876 21.318 1.557 1.00 0.00 O ATOM 1144 CB VAL A 71 78.204 18.983 -0.193 1.00 0.00 C ATOM 1145 CG1 VAL A 71 79.675 18.978 0.191 1.00 0.00 C ATOM 1146 CG2 VAL A 71 77.355 18.365 0.908 1.00 0.00 C ATOM 0 H VAL A 71 79.314 20.466 -1.871 1.00 0.00 H new ATOM 0 HA VAL A 71 76.692 20.383 -0.832 1.00 0.00 H new ATOM 0 HB VAL A 71 78.087 18.380 -1.094 1.00 0.00 H new ATOM 0 HG11 VAL A 71 79.992 17.957 0.403 1.00 0.00 H new ATOM 0 HG12 VAL A 71 80.267 19.379 -0.632 1.00 0.00 H new ATOM 0 HG13 VAL A 71 79.822 19.595 1.078 1.00 0.00 H new ATOM 0 HG21 VAL A 71 77.704 17.353 1.111 1.00 0.00 H new ATOM 0 HG22 VAL A 71 77.439 18.966 1.813 1.00 0.00 H new ATOM 0 HG23 VAL A 71 76.313 18.333 0.589 1.00 0.00 H new ATOM 1156 N ASP A 72 78.970 21.892 0.970 1.00 0.00 N ATOM 1157 CA ASP A 72 79.188 22.727 2.146 1.00 0.00 C ATOM 1158 C ASP A 72 78.264 23.941 2.129 1.00 0.00 C ATOM 1159 O ASP A 72 77.697 24.318 3.155 1.00 0.00 O ATOM 1160 CB ASP A 72 80.647 23.181 2.212 1.00 0.00 C ATOM 1161 CG ASP A 72 81.619 22.020 2.136 1.00 0.00 C ATOM 1162 OD1 ASP A 72 81.173 20.862 2.277 1.00 0.00 O ATOM 1163 OD2 ASP A 72 82.826 22.270 1.934 1.00 0.00 O ATOM 0 H ASP A 72 79.764 21.848 0.331 1.00 0.00 H new ATOM 0 HA ASP A 72 78.961 22.133 3.031 1.00 0.00 H new ATOM 0 HB2 ASP A 72 80.847 23.872 1.393 1.00 0.00 H new ATOM 0 HB3 ASP A 72 80.812 23.729 3.140 1.00 0.00 H new ATOM 1168 N LEU A 73 78.119 24.550 0.957 1.00 0.00 N ATOM 1169 CA LEU A 73 77.265 25.723 0.806 1.00 0.00 C ATOM 1170 C LEU A 73 75.798 25.359 1.014 1.00 0.00 C ATOM 1171 O LEU A 73 75.081 26.027 1.760 1.00 0.00 O ATOM 1172 CB LEU A 73 77.456 26.343 -0.579 1.00 0.00 C ATOM 1173 CG LEU A 73 78.901 26.617 -0.998 1.00 0.00 C ATOM 1174 CD1 LEU A 73 78.951 27.686 -2.078 1.00 0.00 C ATOM 1175 CD2 LEU A 73 79.735 27.033 0.205 1.00 0.00 C ATOM 0 H LEU A 73 78.581 24.251 0.098 1.00 0.00 H new ATOM 0 HA LEU A 73 77.552 26.450 1.566 1.00 0.00 H new ATOM 0 HB2 LEU A 73 77.004 25.680 -1.317 1.00 0.00 H new ATOM 0 HB3 LEU A 73 76.904 27.282 -0.614 1.00 0.00 H new ATOM 0 HG LEU A 73 79.321 25.698 -1.406 1.00 0.00 H new ATOM 0 HD11 LEU A 73 79.987 27.867 -2.363 1.00 0.00 H new ATOM 0 HD12 LEU A 73 78.389 27.350 -2.949 1.00 0.00 H new ATOM 0 HD13 LEU A 73 78.513 28.609 -1.697 1.00 0.00 H new ATOM 0 HD21 LEU A 73 80.760 27.224 -0.112 1.00 0.00 H new ATOM 0 HD22 LEU A 73 79.316 27.939 0.643 1.00 0.00 H new ATOM 0 HD23 LEU A 73 79.727 26.234 0.947 1.00 0.00 H new ATOM 1187 N LYS A 74 75.358 24.295 0.352 1.00 0.00 N ATOM 1188 CA LYS A 74 73.978 23.839 0.466 1.00 0.00 C ATOM 1189 C LYS A 74 73.681 23.353 1.881 1.00 0.00 C ATOM 1190 O LYS A 74 72.626 23.652 2.442 1.00 0.00 O ATOM 1191 CB LYS A 74 73.706 22.716 -0.538 1.00 0.00 C ATOM 1192 CG LYS A 74 72.232 22.381 -0.691 1.00 0.00 C ATOM 1193 CD LYS A 74 71.815 21.259 0.245 1.00 0.00 C ATOM 1194 CE LYS A 74 70.624 20.489 -0.305 1.00 0.00 C ATOM 1195 NZ LYS A 74 69.798 19.894 0.782 1.00 0.00 N ATOM 0 H LYS A 74 75.938 23.732 -0.270 1.00 0.00 H new ATOM 0 HA LYS A 74 73.323 24.682 0.245 1.00 0.00 H new ATOM 0 HB2 LYS A 74 74.107 23.004 -1.510 1.00 0.00 H new ATOM 0 HB3 LYS A 74 74.243 21.821 -0.224 1.00 0.00 H new ATOM 0 HG2 LYS A 74 71.633 23.268 -0.486 1.00 0.00 H new ATOM 0 HG3 LYS A 74 72.029 22.090 -1.722 1.00 0.00 H new ATOM 0 HD2 LYS A 74 72.653 20.578 0.394 1.00 0.00 H new ATOM 0 HD3 LYS A 74 71.563 21.673 1.221 1.00 0.00 H new ATOM 0 HE2 LYS A 74 70.007 21.156 -0.906 1.00 0.00 H new ATOM 0 HE3 LYS A 74 70.977 19.698 -0.967 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 68.997 19.378 0.366 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 70.380 19.238 1.341 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 69.440 20.650 1.399 1.00 0.00 H new ATOM 1209 N ASP A 75 74.617 22.604 2.454 1.00 0.00 N ATOM 1210 CA ASP A 75 74.456 22.079 3.805 1.00 0.00 C ATOM 1211 C ASP A 75 74.498 23.205 4.833 1.00 0.00 C ATOM 1212 O ASP A 75 73.764 23.186 5.821 1.00 0.00 O ATOM 1213 CB ASP A 75 75.548 21.052 4.109 1.00 0.00 C ATOM 1214 CG ASP A 75 75.231 20.215 5.332 1.00 0.00 C ATOM 1215 OD1 ASP A 75 74.374 20.639 6.136 1.00 0.00 O ATOM 1216 OD2 ASP A 75 75.839 19.135 5.486 1.00 0.00 O ATOM 0 H ASP A 75 75.495 22.347 2.004 1.00 0.00 H new ATOM 0 HA ASP A 75 73.483 21.592 3.866 1.00 0.00 H new ATOM 0 HB2 ASP A 75 75.677 20.397 3.247 1.00 0.00 H new ATOM 0 HB3 ASP A 75 76.496 21.568 4.261 1.00 0.00 H new ATOM 1221 N LYS A 76 75.364 24.185 4.596 1.00 0.00 N ATOM 1222 CA LYS A 76 75.503 25.320 5.501 1.00 0.00 C ATOM 1223 C LYS A 76 74.200 26.109 5.587 1.00 0.00 C ATOM 1224 O LYS A 76 73.721 26.415 6.679 1.00 0.00 O ATOM 1225 CB LYS A 76 76.636 26.235 5.033 1.00 0.00 C ATOM 1226 CG LYS A 76 77.997 25.850 5.587 1.00 0.00 C ATOM 1227 CD LYS A 76 78.099 26.148 7.073 1.00 0.00 C ATOM 1228 CE LYS A 76 78.509 27.591 7.326 1.00 0.00 C ATOM 1229 NZ LYS A 76 78.002 28.091 8.633 1.00 0.00 N ATOM 0 H LYS A 76 75.981 24.216 3.784 1.00 0.00 H new ATOM 0 HA LYS A 76 75.741 24.936 6.493 1.00 0.00 H new ATOM 0 HB2 LYS A 76 76.679 26.219 3.944 1.00 0.00 H new ATOM 0 HB3 LYS A 76 76.410 27.260 5.328 1.00 0.00 H new ATOM 0 HG2 LYS A 76 78.174 24.788 5.415 1.00 0.00 H new ATOM 0 HG3 LYS A 76 78.776 26.393 5.052 1.00 0.00 H new ATOM 0 HD2 LYS A 76 77.139 25.952 7.551 1.00 0.00 H new ATOM 0 HD3 LYS A 76 78.826 25.477 7.531 1.00 0.00 H new ATOM 0 HE2 LYS A 76 79.596 27.669 7.305 1.00 0.00 H new ATOM 0 HE3 LYS A 76 78.128 28.223 6.523 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 78.303 29.077 8.768 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 76.963 28.041 8.645 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 78.385 27.504 9.401 1.00 0.00 H new ATOM 1243 N TRP A 77 73.633 26.433 4.431 1.00 0.00 N ATOM 1244 CA TRP A 77 72.385 27.186 4.378 1.00 0.00 C ATOM 1245 C TRP A 77 71.257 26.419 5.059 1.00 0.00 C ATOM 1246 O TRP A 77 70.512 26.976 5.865 1.00 0.00 O ATOM 1247 CB TRP A 77 72.009 27.487 2.926 1.00 0.00 C ATOM 1248 CG TRP A 77 70.673 28.152 2.784 1.00 0.00 C ATOM 1249 CD1 TRP A 77 70.391 29.474 2.974 1.00 0.00 C ATOM 1250 CD2 TRP A 77 69.438 27.524 2.423 1.00 0.00 C ATOM 1251 NE1 TRP A 77 69.055 29.707 2.754 1.00 0.00 N ATOM 1252 CE2 TRP A 77 68.448 28.527 2.413 1.00 0.00 C ATOM 1253 CE3 TRP A 77 69.072 26.213 2.105 1.00 0.00 C ATOM 1254 CZ2 TRP A 77 67.119 28.257 2.099 1.00 0.00 C ATOM 1255 CZ3 TRP A 77 67.752 25.947 1.794 1.00 0.00 C ATOM 1256 CH2 TRP A 77 66.789 26.965 1.792 1.00 0.00 C ATOM 0 H TRP A 77 74.017 26.187 3.519 1.00 0.00 H new ATOM 0 HA TRP A 77 72.533 28.125 4.910 1.00 0.00 H new ATOM 0 HB2 TRP A 77 72.774 28.126 2.485 1.00 0.00 H new ATOM 0 HB3 TRP A 77 72.006 26.556 2.359 1.00 0.00 H new ATOM 0 HD1 TRP A 77 71.112 30.227 3.256 1.00 0.00 H new ATOM 0 HE1 TRP A 77 68.590 30.612 2.832 1.00 0.00 H new ATOM 0 HE3 TRP A 77 69.808 25.422 2.102 1.00 0.00 H new ATOM 0 HZ2 TRP A 77 66.375 29.040 2.098 1.00 0.00 H new ATOM 0 HZ3 TRP A 77 67.458 24.937 1.548 1.00 0.00 H new ATOM 0 HH2 TRP A 77 65.766 26.725 1.543 1.00 0.00 H new ATOM 1267 N LYS A 78 71.136 25.137 4.731 1.00 0.00 N ATOM 1268 CA LYS A 78 70.100 24.292 5.312 1.00 0.00 C ATOM 1269 C LYS A 78 70.290 24.157 6.819 1.00 0.00 C ATOM 1270 O LYS A 78 69.342 24.307 7.591 1.00 0.00 O ATOM 1271 CB LYS A 78 70.116 22.908 4.659 1.00 0.00 C ATOM 1272 CG LYS A 78 69.036 21.977 5.181 1.00 0.00 C ATOM 1273 CD LYS A 78 67.676 22.313 4.591 1.00 0.00 C ATOM 1274 CE LYS A 78 66.921 23.306 5.461 1.00 0.00 C ATOM 1275 NZ LYS A 78 65.447 23.113 5.372 1.00 0.00 N ATOM 0 H LYS A 78 71.744 24.660 4.065 1.00 0.00 H new ATOM 0 HA LYS A 78 69.135 24.763 5.126 1.00 0.00 H new ATOM 0 HB2 LYS A 78 69.996 23.022 3.582 1.00 0.00 H new ATOM 0 HB3 LYS A 78 71.091 22.449 4.824 1.00 0.00 H new ATOM 0 HG2 LYS A 78 69.294 20.946 4.938 1.00 0.00 H new ATOM 0 HG3 LYS A 78 68.989 22.046 6.268 1.00 0.00 H new ATOM 0 HD2 LYS A 78 67.804 22.728 3.591 1.00 0.00 H new ATOM 0 HD3 LYS A 78 67.089 21.401 4.485 1.00 0.00 H new ATOM 0 HE2 LYS A 78 67.240 23.196 6.498 1.00 0.00 H new ATOM 0 HE3 LYS A 78 67.173 24.321 5.156 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 64.969 23.809 5.979 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 65.139 23.243 4.387 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 65.203 22.153 5.687 1.00 0.00 H new ATOM 1289 N THR A 79 71.521 23.874 7.233 1.00 0.00 N ATOM 1290 CA THR A 79 71.835 23.719 8.648 1.00 0.00 C ATOM 1291 C THR A 79 71.530 24.996 9.422 1.00 0.00 C ATOM 1292 O THR A 79 70.845 24.966 10.445 1.00 0.00 O ATOM 1293 CB THR A 79 73.316 23.348 8.857 1.00 0.00 C ATOM 1294 OG1 THR A 79 73.613 22.121 8.181 1.00 0.00 O ATOM 1295 CG2 THR A 79 73.634 23.206 10.338 1.00 0.00 C ATOM 0 H THR A 79 72.317 23.747 6.608 1.00 0.00 H new ATOM 0 HA THR A 79 71.208 22.911 9.024 1.00 0.00 H new ATOM 0 HB THR A 79 73.930 24.148 8.444 1.00 0.00 H new ATOM 0 HG1 THR A 79 73.993 22.317 7.299 1.00 0.00 H new ATOM 0 HG21 THR A 79 74.685 22.944 10.461 1.00 0.00 H new ATOM 0 HG22 THR A 79 73.434 24.150 10.845 1.00 0.00 H new ATOM 0 HG23 THR A 79 73.012 22.423 10.770 1.00 0.00 H new ATOM 1303 N LEU A 80 72.040 26.119 8.927 1.00 0.00 N ATOM 1304 CA LEU A 80 71.820 27.409 9.573 1.00 0.00 C ATOM 1305 C LEU A 80 70.334 27.749 9.618 1.00 0.00 C ATOM 1306 O LEU A 80 69.868 28.420 10.539 1.00 0.00 O ATOM 1307 CB LEU A 80 72.585 28.508 8.833 1.00 0.00 C ATOM 1308 CG LEU A 80 71.763 29.364 7.869 1.00 0.00 C ATOM 1309 CD1 LEU A 80 71.069 30.492 8.616 1.00 0.00 C ATOM 1310 CD2 LEU A 80 72.647 29.920 6.762 1.00 0.00 C ATOM 0 H LEU A 80 72.608 26.162 8.081 1.00 0.00 H new ATOM 0 HA LEU A 80 72.189 27.344 10.596 1.00 0.00 H new ATOM 0 HB2 LEU A 80 73.042 29.166 9.572 1.00 0.00 H new ATOM 0 HB3 LEU A 80 73.397 28.044 8.273 1.00 0.00 H new ATOM 0 HG LEU A 80 71.000 28.733 7.414 1.00 0.00 H new ATOM 0 HD11 LEU A 80 70.489 31.091 7.914 1.00 0.00 H new ATOM 0 HD12 LEU A 80 70.404 30.073 9.371 1.00 0.00 H new ATOM 0 HD13 LEU A 80 71.816 31.122 9.099 1.00 0.00 H new ATOM 0 HD21 LEU A 80 72.045 30.527 6.086 1.00 0.00 H new ATOM 0 HD22 LEU A 80 73.433 30.536 7.199 1.00 0.00 H new ATOM 0 HD23 LEU A 80 73.097 29.096 6.208 1.00 0.00 H new ATOM 1322 N VAL A 81 69.594 27.280 8.618 1.00 0.00 N ATOM 1323 CA VAL A 81 68.160 27.531 8.545 1.00 0.00 C ATOM 1324 C VAL A 81 67.419 26.816 9.669 1.00 0.00 C ATOM 1325 O VAL A 81 66.462 27.348 10.233 1.00 0.00 O ATOM 1326 CB VAL A 81 67.579 27.079 7.192 1.00 0.00 C ATOM 1327 CG1 VAL A 81 66.524 26.002 7.398 1.00 0.00 C ATOM 1328 CG2 VAL A 81 67.000 28.266 6.437 1.00 0.00 C ATOM 0 H VAL A 81 69.964 26.724 7.847 1.00 0.00 H new ATOM 0 HA VAL A 81 68.021 28.607 8.650 1.00 0.00 H new ATOM 0 HB VAL A 81 68.385 26.656 6.593 1.00 0.00 H new ATOM 0 HG11 VAL A 81 66.124 25.695 6.432 1.00 0.00 H new ATOM 0 HG12 VAL A 81 66.974 25.142 7.895 1.00 0.00 H new ATOM 0 HG13 VAL A 81 65.717 26.397 8.015 1.00 0.00 H new ATOM 0 HG21 VAL A 81 66.594 27.928 5.484 1.00 0.00 H new ATOM 0 HG22 VAL A 81 66.206 28.721 7.029 1.00 0.00 H new ATOM 0 HG23 VAL A 81 67.785 29.001 6.257 1.00 0.00 H new ATOM 1338 N HIS A 82 67.867 25.607 9.991 1.00 0.00 N ATOM 1339 CA HIS A 82 67.247 24.818 11.049 1.00 0.00 C ATOM 1340 C HIS A 82 67.525 25.431 12.418 1.00 0.00 C ATOM 1341 O HIS A 82 66.638 25.508 13.268 1.00 0.00 O ATOM 1342 CB HIS A 82 67.760 23.378 11.009 1.00 0.00 C ATOM 1343 CG HIS A 82 66.766 22.373 11.503 1.00 0.00 C ATOM 1344 ND1 HIS A 82 65.521 22.203 10.934 1.00 0.00 N ATOM 1345 CD2 HIS A 82 66.838 21.482 12.519 1.00 0.00 C ATOM 1346 CE1 HIS A 82 64.871 21.252 11.580 1.00 0.00 C ATOM 1347 NE2 HIS A 82 65.648 20.797 12.546 1.00 0.00 N ATOM 0 H HIS A 82 68.657 25.152 9.534 1.00 0.00 H new ATOM 0 HA HIS A 82 66.170 24.817 10.883 1.00 0.00 H new ATOM 0 HB2 HIS A 82 68.038 23.129 9.985 1.00 0.00 H new ATOM 0 HB3 HIS A 82 68.666 23.307 11.611 1.00 0.00 H new ATOM 0 HD2 HIS A 82 67.676 21.337 13.185 1.00 0.00 H new ATOM 0 HE1 HIS A 82 63.873 20.905 11.356 1.00 0.00 H new ATOM 0 HE2 HIS A 82 65.404 20.057 13.205 1.00 0.00 H new ATOM 1355 N THR A 83 68.765 25.866 12.625 1.00 0.00 N ATOM 1356 CA THR A 83 69.161 26.470 13.891 1.00 0.00 C ATOM 1357 C THR A 83 68.618 27.889 14.016 1.00 0.00 C ATOM 1358 O THR A 83 68.372 28.375 15.120 1.00 0.00 O ATOM 1359 CB THR A 83 70.693 26.504 14.043 1.00 0.00 C ATOM 1360 OG1 THR A 83 71.224 25.177 13.948 1.00 0.00 O ATOM 1361 CG2 THR A 83 71.092 27.121 15.374 1.00 0.00 C ATOM 0 H THR A 83 69.511 25.811 11.932 1.00 0.00 H new ATOM 0 HA THR A 83 68.739 25.851 14.682 1.00 0.00 H new ATOM 0 HB THR A 83 71.102 27.117 13.240 1.00 0.00 H new ATOM 0 HG1 THR A 83 72.199 25.207 14.044 1.00 0.00 H new ATOM 0 HG21 THR A 83 72.179 27.134 15.458 1.00 0.00 H new ATOM 0 HG22 THR A 83 70.712 28.141 15.431 1.00 0.00 H new ATOM 0 HG23 THR A 83 70.672 26.531 16.189 1.00 0.00 H new ATOM 1369 N ALA A 84 68.433 28.550 12.878 1.00 0.00 N ATOM 1370 CA ALA A 84 67.917 29.913 12.861 1.00 0.00 C ATOM 1371 C ALA A 84 66.392 29.923 12.873 1.00 0.00 C ATOM 1372 O ALA A 84 65.770 30.972 13.037 1.00 0.00 O ATOM 1373 CB ALA A 84 68.442 30.661 11.644 1.00 0.00 C ATOM 0 H ALA A 84 68.633 28.163 11.956 1.00 0.00 H new ATOM 0 HA ALA A 84 68.265 30.418 13.762 1.00 0.00 H new ATOM 0 HB1 ALA A 84 68.049 31.678 11.644 1.00 0.00 H new ATOM 0 HB2 ALA A 84 69.531 30.693 11.679 1.00 0.00 H new ATOM 0 HB3 ALA A 84 68.123 30.149 10.736 1.00 0.00 H new ATOM 1379 N SER A 85 65.796 28.748 12.697 1.00 0.00 N ATOM 1380 CA SER A 85 64.343 28.622 12.683 1.00 0.00 C ATOM 1381 C SER A 85 63.833 28.066 14.009 1.00 0.00 C ATOM 1382 O SER A 85 62.757 28.438 14.477 1.00 0.00 O ATOM 1383 CB SER A 85 63.900 27.716 11.533 1.00 0.00 C ATOM 1384 OG SER A 85 64.335 26.383 11.737 1.00 0.00 O ATOM 0 H SER A 85 66.297 27.870 12.562 1.00 0.00 H new ATOM 0 HA SER A 85 63.918 29.615 12.538 1.00 0.00 H new ATOM 0 HB2 SER A 85 62.814 27.738 11.446 1.00 0.00 H new ATOM 0 HB3 SER A 85 64.302 28.093 10.593 1.00 0.00 H new ATOM 0 HG SER A 85 65.141 26.384 12.294 1.00 0.00 H new ATOM 1390 N ILE A 86 64.614 27.174 14.609 1.00 0.00 N ATOM 1391 CA ILE A 86 64.243 26.567 15.881 1.00 0.00 C ATOM 1392 C ILE A 86 63.918 27.631 16.923 1.00 0.00 C ATOM 1393 O ILE A 86 64.093 28.825 16.682 1.00 0.00 O ATOM 1394 CB ILE A 86 65.365 25.661 16.421 1.00 0.00 C ATOM 1395 CG1 ILE A 86 66.706 26.398 16.388 1.00 0.00 C ATOM 1396 CG2 ILE A 86 65.442 24.374 15.614 1.00 0.00 C ATOM 1397 CD1 ILE A 86 67.821 25.656 17.091 1.00 0.00 C ATOM 0 H ILE A 86 65.508 26.856 14.234 1.00 0.00 H new ATOM 0 HA ILE A 86 63.356 25.961 15.695 1.00 0.00 H new ATOM 0 HB ILE A 86 65.138 25.405 17.456 1.00 0.00 H new ATOM 0 HG12 ILE A 86 66.992 26.569 15.350 1.00 0.00 H new ATOM 0 HG13 ILE A 86 66.584 27.378 16.850 1.00 0.00 H new ATOM 0 HG21 ILE A 86 66.240 23.745 16.008 1.00 0.00 H new ATOM 0 HG22 ILE A 86 64.493 23.843 15.684 1.00 0.00 H new ATOM 0 HG23 ILE A 86 65.649 24.611 14.570 1.00 0.00 H new ATOM 0 HD11 ILE A 86 68.741 26.237 17.028 1.00 0.00 H new ATOM 0 HD12 ILE A 86 67.556 25.508 18.138 1.00 0.00 H new ATOM 0 HD13 ILE A 86 67.970 24.687 16.615 1.00 0.00 H new ATOM 1409 N ALA A 87 63.445 27.190 18.084 1.00 0.00 N ATOM 1410 CA ALA A 87 63.098 28.104 19.165 1.00 0.00 C ATOM 1411 C ALA A 87 64.253 29.051 19.474 1.00 0.00 C ATOM 1412 O ALA A 87 65.409 28.789 19.141 1.00 0.00 O ATOM 1413 CB ALA A 87 62.705 27.324 20.411 1.00 0.00 C ATOM 0 H ALA A 87 63.293 26.205 18.300 1.00 0.00 H new ATOM 0 HA ALA A 87 62.247 28.703 18.842 1.00 0.00 H new ATOM 0 HB1 ALA A 87 62.448 28.020 21.210 1.00 0.00 H new ATOM 0 HB2 ALA A 87 61.844 26.693 20.189 1.00 0.00 H new ATOM 0 HB3 ALA A 87 63.540 26.700 20.728 1.00 0.00 H new ATOM 1419 N PRO A 88 63.936 30.179 20.127 1.00 0.00 N ATOM 1420 CA PRO A 88 64.934 31.188 20.495 1.00 0.00 C ATOM 1421 C PRO A 88 65.872 30.701 21.593 1.00 0.00 C ATOM 1422 O PRO A 88 67.035 31.100 21.650 1.00 0.00 O ATOM 1423 CB PRO A 88 64.086 32.359 20.996 1.00 0.00 C ATOM 1424 CG PRO A 88 62.814 31.736 21.459 1.00 0.00 C ATOM 1425 CD PRO A 88 62.579 30.557 20.555 1.00 0.00 C ATOM 0 HA PRO A 88 65.584 31.443 19.658 1.00 0.00 H new ATOM 0 HB2 PRO A 88 64.585 32.890 21.807 1.00 0.00 H new ATOM 0 HB3 PRO A 88 63.906 33.085 20.203 1.00 0.00 H new ATOM 0 HG2 PRO A 88 62.890 31.421 22.500 1.00 0.00 H new ATOM 0 HG3 PRO A 88 61.988 32.445 21.400 1.00 0.00 H new ATOM 0 HD2 PRO A 88 62.081 29.741 21.080 1.00 0.00 H new ATOM 0 HD3 PRO A 88 61.949 30.821 19.706 1.00 0.00 H new ATOM 1433 N GLN A 89 65.360 29.837 22.463 1.00 0.00 N ATOM 1434 CA GLN A 89 66.154 29.296 23.560 1.00 0.00 C ATOM 1435 C GLN A 89 67.348 28.509 23.031 1.00 0.00 C ATOM 1436 O GLN A 89 68.307 28.255 23.760 1.00 0.00 O ATOM 1437 CB GLN A 89 65.290 28.400 24.449 1.00 0.00 C ATOM 1438 CG GLN A 89 64.695 27.208 23.716 1.00 0.00 C ATOM 1439 CD GLN A 89 63.389 26.740 24.326 1.00 0.00 C ATOM 1440 OE1 GLN A 89 62.806 27.421 25.170 1.00 0.00 O ATOM 1441 NE2 GLN A 89 62.922 25.572 23.902 1.00 0.00 N ATOM 0 H GLN A 89 64.399 29.496 22.430 1.00 0.00 H new ATOM 0 HA GLN A 89 66.527 30.132 24.152 1.00 0.00 H new ATOM 0 HB2 GLN A 89 65.893 28.039 25.282 1.00 0.00 H new ATOM 0 HB3 GLN A 89 64.482 28.995 24.874 1.00 0.00 H new ATOM 0 HG2 GLN A 89 64.529 27.474 22.672 1.00 0.00 H new ATOM 0 HG3 GLN A 89 65.411 26.386 23.725 1.00 0.00 H new ATOM 0 HE21 GLN A 89 63.438 25.041 23.201 1.00 0.00 H new ATOM 0 HE22 GLN A 89 62.047 25.206 24.277 1.00 0.00 H new ATOM 1450 N GLN A 90 67.283 28.127 21.760 1.00 0.00 N ATOM 1451 CA GLN A 90 68.359 27.367 21.135 1.00 0.00 C ATOM 1452 C GLN A 90 68.920 28.111 19.927 1.00 0.00 C ATOM 1453 O GLN A 90 69.558 27.515 19.060 1.00 0.00 O ATOM 1454 CB GLN A 90 67.857 25.986 20.710 1.00 0.00 C ATOM 1455 CG GLN A 90 66.967 25.317 21.745 1.00 0.00 C ATOM 1456 CD GLN A 90 67.680 25.077 23.060 1.00 0.00 C ATOM 1457 OE1 GLN A 90 68.861 25.393 23.206 1.00 0.00 O ATOM 1458 NE2 GLN A 90 66.965 24.515 24.028 1.00 0.00 N ATOM 0 H GLN A 90 66.497 28.331 21.143 1.00 0.00 H new ATOM 0 HA GLN A 90 69.157 27.246 21.867 1.00 0.00 H new ATOM 0 HB2 GLN A 90 67.305 26.081 19.775 1.00 0.00 H new ATOM 0 HB3 GLN A 90 68.714 25.343 20.510 1.00 0.00 H new ATOM 0 HG2 GLN A 90 66.089 25.939 21.920 1.00 0.00 H new ATOM 0 HG3 GLN A 90 66.610 24.366 21.351 1.00 0.00 H new ATOM 0 HE21 GLN A 90 65.989 24.269 23.864 1.00 0.00 H new ATOM 0 HE22 GLN A 90 67.392 24.329 24.935 1.00 0.00 H new ATOM 1467 N ARG A 91 68.677 29.417 19.878 1.00 0.00 N ATOM 1468 CA ARG A 91 69.157 30.242 18.776 1.00 0.00 C ATOM 1469 C ARG A 91 70.567 30.754 19.054 1.00 0.00 C ATOM 1470 O ARG A 91 71.095 31.582 18.312 1.00 0.00 O ATOM 1471 CB ARG A 91 68.211 31.422 18.545 1.00 0.00 C ATOM 1472 CG ARG A 91 68.388 32.550 19.548 1.00 0.00 C ATOM 1473 CD ARG A 91 69.187 33.701 18.956 1.00 0.00 C ATOM 1474 NE ARG A 91 68.750 34.995 19.475 1.00 0.00 N ATOM 1475 CZ ARG A 91 67.687 35.648 19.021 1.00 0.00 C ATOM 1476 NH1 ARG A 91 66.955 35.131 18.043 1.00 0.00 N ATOM 1477 NH2 ARG A 91 67.353 36.821 19.545 1.00 0.00 N ATOM 0 H ARG A 91 68.151 29.926 20.588 1.00 0.00 H new ATOM 0 HA ARG A 91 69.184 29.625 17.878 1.00 0.00 H new ATOM 0 HB2 ARG A 91 68.370 31.813 17.540 1.00 0.00 H new ATOM 0 HB3 ARG A 91 67.182 31.066 18.590 1.00 0.00 H new ATOM 0 HG2 ARG A 91 67.410 32.911 19.868 1.00 0.00 H new ATOM 0 HG3 ARG A 91 68.895 32.173 20.436 1.00 0.00 H new ATOM 0 HD2 ARG A 91 70.245 33.560 19.178 1.00 0.00 H new ATOM 0 HD3 ARG A 91 69.085 33.693 17.871 1.00 0.00 H new ATOM 0 HE ARG A 91 69.292 35.420 20.228 1.00 0.00 H new ATOM 0 HH11 ARG A 91 67.208 34.230 17.638 1.00 0.00 H new ATOM 0 HH12 ARG A 91 66.139 35.635 17.696 1.00 0.00 H new ATOM 0 HH21 ARG A 91 67.913 37.222 20.297 1.00 0.00 H new ATOM 0 HH22 ARG A 91 66.536 37.322 19.195 1.00 0.00 H new ATOM 1491 N ARG A 92 71.171 30.255 20.127 1.00 0.00 N ATOM 1492 CA ARG A 92 72.519 30.663 20.504 1.00 0.00 C ATOM 1493 C ARG A 92 73.479 30.521 19.326 1.00 0.00 C ATOM 1494 O ARG A 92 73.153 29.897 18.318 1.00 0.00 O ATOM 1495 CB ARG A 92 73.017 29.827 21.684 1.00 0.00 C ATOM 1496 CG ARG A 92 73.365 28.395 21.313 1.00 0.00 C ATOM 1497 CD ARG A 92 73.733 27.575 22.540 1.00 0.00 C ATOM 1498 NE ARG A 92 72.690 27.620 23.561 1.00 0.00 N ATOM 1499 CZ ARG A 92 72.821 27.084 24.769 1.00 0.00 C ATOM 1500 NH1 ARG A 92 73.944 26.465 25.106 1.00 0.00 N ATOM 1501 NH2 ARG A 92 71.827 27.167 25.645 1.00 0.00 N ATOM 0 H ARG A 92 70.748 29.568 20.751 1.00 0.00 H new ATOM 0 HA ARG A 92 72.485 31.712 20.799 1.00 0.00 H new ATOM 0 HB2 ARG A 92 73.897 30.307 22.112 1.00 0.00 H new ATOM 0 HB3 ARG A 92 72.251 29.816 22.460 1.00 0.00 H new ATOM 0 HG2 ARG A 92 72.518 27.933 20.806 1.00 0.00 H new ATOM 0 HG3 ARG A 92 74.197 28.392 20.609 1.00 0.00 H new ATOM 0 HD2 ARG A 92 73.908 26.540 22.245 1.00 0.00 H new ATOM 0 HD3 ARG A 92 74.667 27.949 22.959 1.00 0.00 H new ATOM 0 HE ARG A 92 71.813 28.089 23.334 1.00 0.00 H new ATOM 0 HH11 ARG A 92 74.711 26.399 24.437 1.00 0.00 H new ATOM 0 HH12 ARG A 92 74.041 26.054 26.035 1.00 0.00 H new ATOM 0 HH21 ARG A 92 70.961 27.643 25.391 1.00 0.00 H new ATOM 0 HH22 ARG A 92 71.929 26.755 26.572 1.00 0.00 H new ATOM 1515 N GLY A 93 74.665 31.106 19.462 1.00 0.00 N ATOM 1516 CA GLY A 93 75.654 31.034 18.402 1.00 0.00 C ATOM 1517 C GLY A 93 76.573 32.240 18.383 1.00 0.00 C ATOM 1518 O GLY A 93 76.673 32.968 19.371 1.00 0.00 O ATOM 0 H GLY A 93 74.959 31.629 20.287 1.00 0.00 H new ATOM 0 HA2 GLY A 93 76.249 30.129 18.526 1.00 0.00 H new ATOM 0 HA3 GLY A 93 75.147 30.953 17.441 1.00 0.00 H new ATOM 1522 N ALA A 94 77.247 32.451 17.258 1.00 0.00 N ATOM 1523 CA ALA A 94 78.162 33.577 17.114 1.00 0.00 C ATOM 1524 C ALA A 94 77.400 34.894 17.018 1.00 0.00 C ATOM 1525 O ALA A 94 76.212 34.930 16.697 1.00 0.00 O ATOM 1526 CB ALA A 94 79.046 33.385 15.892 1.00 0.00 C ATOM 0 H ALA A 94 77.177 31.857 16.432 1.00 0.00 H new ATOM 0 HA ALA A 94 78.793 33.617 18.002 1.00 0.00 H new ATOM 0 HB1 ALA A 94 79.724 34.233 15.797 1.00 0.00 H new ATOM 0 HB2 ALA A 94 79.625 32.468 16.002 1.00 0.00 H new ATOM 0 HB3 ALA A 94 78.424 33.316 15.000 1.00 0.00 H new ATOM 1532 N PRO A 95 78.097 36.004 17.302 1.00 0.00 N ATOM 1533 CA PRO A 95 77.506 37.344 17.254 1.00 0.00 C ATOM 1534 C PRO A 95 77.192 37.789 15.830 1.00 0.00 C ATOM 1535 O PRO A 95 77.944 38.556 15.228 1.00 0.00 O ATOM 1536 CB PRO A 95 78.592 38.233 17.865 1.00 0.00 C ATOM 1537 CG PRO A 95 79.864 37.497 17.623 1.00 0.00 C ATOM 1538 CD PRO A 95 79.517 36.036 17.692 1.00 0.00 C ATOM 0 HA PRO A 95 76.553 37.388 17.782 1.00 0.00 H new ATOM 0 HB2 PRO A 95 78.608 39.217 17.396 1.00 0.00 H new ATOM 0 HB3 PRO A 95 78.422 38.390 18.930 1.00 0.00 H new ATOM 0 HG2 PRO A 95 80.284 37.753 16.650 1.00 0.00 H new ATOM 0 HG3 PRO A 95 80.613 37.756 18.371 1.00 0.00 H new ATOM 0 HD2 PRO A 95 80.133 35.444 17.015 1.00 0.00 H new ATOM 0 HD3 PRO A 95 79.668 35.634 18.694 1.00 0.00 H new ATOM 1546 N VAL A 96 76.076 37.303 15.295 1.00 0.00 N ATOM 1547 CA VAL A 96 75.662 37.652 13.941 1.00 0.00 C ATOM 1548 C VAL A 96 74.329 38.392 13.948 1.00 0.00 C ATOM 1549 O VAL A 96 73.469 38.165 14.799 1.00 0.00 O ATOM 1550 CB VAL A 96 75.537 36.400 13.053 1.00 0.00 C ATOM 1551 CG1 VAL A 96 76.913 35.868 12.683 1.00 0.00 C ATOM 1552 CG2 VAL A 96 74.714 35.330 13.753 1.00 0.00 C ATOM 0 H VAL A 96 75.443 36.666 15.779 1.00 0.00 H new ATOM 0 HA VAL A 96 76.434 38.304 13.531 1.00 0.00 H new ATOM 0 HB VAL A 96 75.022 36.679 12.134 1.00 0.00 H new ATOM 0 HG11 VAL A 96 76.804 34.983 12.055 1.00 0.00 H new ATOM 0 HG12 VAL A 96 77.465 36.634 12.138 1.00 0.00 H new ATOM 0 HG13 VAL A 96 77.457 35.605 13.590 1.00 0.00 H new ATOM 0 HG21 VAL A 96 74.636 34.453 13.111 1.00 0.00 H new ATOM 0 HG22 VAL A 96 75.199 35.053 14.689 1.00 0.00 H new ATOM 0 HG23 VAL A 96 73.716 35.717 13.962 1.00 0.00 H new ATOM 1562 N PRO A 97 74.152 39.300 12.976 1.00 0.00 N ATOM 1563 CA PRO A 97 72.925 40.092 12.848 1.00 0.00 C ATOM 1564 C PRO A 97 71.733 39.247 12.411 1.00 0.00 C ATOM 1565 O PRO A 97 71.860 38.379 11.548 1.00 0.00 O ATOM 1566 CB PRO A 97 73.277 41.118 11.768 1.00 0.00 C ATOM 1567 CG PRO A 97 74.351 40.469 10.965 1.00 0.00 C ATOM 1568 CD PRO A 97 75.135 39.622 11.929 1.00 0.00 C ATOM 0 HA PRO A 97 72.626 40.537 13.797 1.00 0.00 H new ATOM 0 HB2 PRO A 97 72.411 41.356 11.151 1.00 0.00 H new ATOM 0 HB3 PRO A 97 73.622 42.054 12.208 1.00 0.00 H new ATOM 0 HG2 PRO A 97 73.927 39.860 10.166 1.00 0.00 H new ATOM 0 HG3 PRO A 97 74.990 41.215 10.492 1.00 0.00 H new ATOM 0 HD2 PRO A 97 75.522 38.722 11.451 1.00 0.00 H new ATOM 0 HD3 PRO A 97 75.991 40.161 12.334 1.00 0.00 H new ATOM 1576 N GLN A 98 70.577 39.508 13.012 1.00 0.00 N ATOM 1577 CA GLN A 98 69.362 38.771 12.684 1.00 0.00 C ATOM 1578 C GLN A 98 69.114 38.772 11.179 1.00 0.00 C ATOM 1579 O GLN A 98 68.494 37.855 10.643 1.00 0.00 O ATOM 1580 CB GLN A 98 68.161 39.376 13.412 1.00 0.00 C ATOM 1581 CG GLN A 98 67.762 40.748 12.892 1.00 0.00 C ATOM 1582 CD GLN A 98 66.739 41.433 13.776 1.00 0.00 C ATOM 1583 OE1 GLN A 98 67.089 42.215 14.660 1.00 0.00 O ATOM 1584 NE2 GLN A 98 65.465 41.142 13.542 1.00 0.00 N ATOM 0 H GLN A 98 70.456 40.224 13.728 1.00 0.00 H new ATOM 0 HA GLN A 98 69.493 37.740 13.011 1.00 0.00 H new ATOM 0 HB2 GLN A 98 67.311 38.700 13.318 1.00 0.00 H new ATOM 0 HB3 GLN A 98 68.392 39.452 14.475 1.00 0.00 H new ATOM 0 HG2 GLN A 98 68.650 41.376 12.817 1.00 0.00 H new ATOM 0 HG3 GLN A 98 67.357 40.647 11.885 1.00 0.00 H new ATOM 0 HE21 GLN A 98 65.219 40.488 12.799 1.00 0.00 H new ATOM 0 HE22 GLN A 98 64.732 41.572 14.105 1.00 0.00 H new ATOM 1593 N GLU A 99 69.602 39.809 10.505 1.00 0.00 N ATOM 1594 CA GLU A 99 69.431 39.929 9.062 1.00 0.00 C ATOM 1595 C GLU A 99 69.862 38.648 8.354 1.00 0.00 C ATOM 1596 O GLU A 99 69.296 38.272 7.327 1.00 0.00 O ATOM 1597 CB GLU A 99 70.237 41.115 8.528 1.00 0.00 C ATOM 1598 CG GLU A 99 71.736 40.871 8.503 1.00 0.00 C ATOM 1599 CD GLU A 99 72.538 42.152 8.628 1.00 0.00 C ATOM 1600 OE1 GLU A 99 71.920 43.231 8.735 1.00 0.00 O ATOM 1601 OE2 GLU A 99 73.785 42.074 8.620 1.00 0.00 O ATOM 0 H GLU A 99 70.118 40.577 10.935 1.00 0.00 H new ATOM 0 HA GLU A 99 68.373 40.097 8.860 1.00 0.00 H new ATOM 0 HB2 GLU A 99 69.899 41.348 7.518 1.00 0.00 H new ATOM 0 HB3 GLU A 99 70.030 41.990 9.144 1.00 0.00 H new ATOM 0 HG2 GLU A 99 72.004 40.198 9.317 1.00 0.00 H new ATOM 0 HG3 GLU A 99 72.003 40.369 7.573 1.00 0.00 H new ATOM 1608 N LEU A 100 70.868 37.981 8.911 1.00 0.00 N ATOM 1609 CA LEU A 100 71.376 36.742 8.334 1.00 0.00 C ATOM 1610 C LEU A 100 70.308 35.654 8.352 1.00 0.00 C ATOM 1611 O LEU A 100 70.088 34.967 7.353 1.00 0.00 O ATOM 1612 CB LEU A 100 72.614 36.270 9.099 1.00 0.00 C ATOM 1613 CG LEU A 100 73.753 37.282 9.223 1.00 0.00 C ATOM 1614 CD1 LEU A 100 75.058 36.578 9.562 1.00 0.00 C ATOM 1615 CD2 LEU A 100 73.896 38.084 7.937 1.00 0.00 C ATOM 0 H LEU A 100 71.347 38.278 9.761 1.00 0.00 H new ATOM 0 HA LEU A 100 71.650 36.939 7.297 1.00 0.00 H new ATOM 0 HB2 LEU A 100 72.306 35.975 10.102 1.00 0.00 H new ATOM 0 HB3 LEU A 100 73.001 35.376 8.609 1.00 0.00 H new ATOM 0 HG LEU A 100 73.515 37.971 10.033 1.00 0.00 H new ATOM 0 HD11 LEU A 100 75.857 37.314 9.646 1.00 0.00 H new ATOM 0 HD12 LEU A 100 74.951 36.049 10.509 1.00 0.00 H new ATOM 0 HD13 LEU A 100 75.302 35.866 8.774 1.00 0.00 H new ATOM 0 HD21 LEU A 100 74.711 38.799 8.043 1.00 0.00 H new ATOM 0 HD22 LEU A 100 74.111 37.409 7.109 1.00 0.00 H new ATOM 0 HD23 LEU A 100 72.968 38.619 7.737 1.00 0.00 H new ATOM 1627 N LEU A 101 69.644 35.503 9.493 1.00 0.00 N ATOM 1628 CA LEU A 101 68.595 34.500 9.642 1.00 0.00 C ATOM 1629 C LEU A 101 67.332 34.919 8.897 1.00 0.00 C ATOM 1630 O LEU A 101 66.525 34.077 8.502 1.00 0.00 O ATOM 1631 CB LEU A 101 68.280 34.278 11.122 1.00 0.00 C ATOM 1632 CG LEU A 101 69.459 33.874 12.007 1.00 0.00 C ATOM 1633 CD1 LEU A 101 70.484 33.088 11.203 1.00 0.00 C ATOM 1634 CD2 LEU A 101 70.100 35.102 12.636 1.00 0.00 C ATOM 0 H LEU A 101 69.814 36.063 10.329 1.00 0.00 H new ATOM 0 HA LEU A 101 68.955 33.566 9.211 1.00 0.00 H new ATOM 0 HB2 LEU A 101 67.849 35.196 11.522 1.00 0.00 H new ATOM 0 HB3 LEU A 101 67.514 33.506 11.198 1.00 0.00 H new ATOM 0 HG LEU A 101 69.086 33.234 12.807 1.00 0.00 H new ATOM 0 HD11 LEU A 101 71.316 32.809 11.849 1.00 0.00 H new ATOM 0 HD12 LEU A 101 70.019 32.188 10.801 1.00 0.00 H new ATOM 0 HD13 LEU A 101 70.852 33.704 10.382 1.00 0.00 H new ATOM 0 HD21 LEU A 101 70.937 34.795 13.263 1.00 0.00 H new ATOM 0 HD22 LEU A 101 70.459 35.767 11.851 1.00 0.00 H new ATOM 0 HD23 LEU A 101 69.363 35.625 13.246 1.00 0.00 H new ATOM 1646 N ASP A 102 67.168 36.223 8.709 1.00 0.00 N ATOM 1647 CA ASP A 102 66.004 36.754 8.009 1.00 0.00 C ATOM 1648 C ASP A 102 66.058 36.409 6.524 1.00 0.00 C ATOM 1649 O ASP A 102 65.041 36.075 5.917 1.00 0.00 O ATOM 1650 CB ASP A 102 65.921 38.271 8.190 1.00 0.00 C ATOM 1651 CG ASP A 102 64.705 38.870 7.511 1.00 0.00 C ATOM 1652 OD1 ASP A 102 63.577 38.626 7.989 1.00 0.00 O ATOM 1653 OD2 ASP A 102 64.881 39.583 6.501 1.00 0.00 O ATOM 0 H ASP A 102 67.826 36.932 9.031 1.00 0.00 H new ATOM 0 HA ASP A 102 65.113 36.295 8.438 1.00 0.00 H new ATOM 0 HB2 ASP A 102 65.892 38.506 9.254 1.00 0.00 H new ATOM 0 HB3 ASP A 102 66.823 38.732 7.786 1.00 0.00 H new ATOM 1658 N ARG A 103 67.252 36.494 5.946 1.00 0.00 N ATOM 1659 CA ARG A 103 67.438 36.193 4.532 1.00 0.00 C ATOM 1660 C ARG A 103 67.421 34.686 4.289 1.00 0.00 C ATOM 1661 O ARG A 103 66.815 34.208 3.331 1.00 0.00 O ATOM 1662 CB ARG A 103 68.757 36.786 4.032 1.00 0.00 C ATOM 1663 CG ARG A 103 69.969 36.334 4.830 1.00 0.00 C ATOM 1664 CD ARG A 103 71.250 36.960 4.301 1.00 0.00 C ATOM 1665 NE ARG A 103 71.126 38.406 4.140 1.00 0.00 N ATOM 1666 CZ ARG A 103 71.917 39.128 3.354 1.00 0.00 C ATOM 1667 NH1 ARG A 103 72.883 38.541 2.661 1.00 0.00 N ATOM 1668 NH2 ARG A 103 71.742 40.440 3.260 1.00 0.00 N ATOM 0 H ARG A 103 68.104 36.769 6.435 1.00 0.00 H new ATOM 0 HA ARG A 103 66.613 36.642 3.979 1.00 0.00 H new ATOM 0 HB2 ARG A 103 68.897 36.510 2.987 1.00 0.00 H new ATOM 0 HB3 ARG A 103 68.694 37.874 4.068 1.00 0.00 H new ATOM 0 HG2 ARG A 103 69.837 36.603 5.878 1.00 0.00 H new ATOM 0 HG3 ARG A 103 70.049 35.248 4.788 1.00 0.00 H new ATOM 0 HD2 ARG A 103 72.070 36.740 4.985 1.00 0.00 H new ATOM 0 HD3 ARG A 103 71.505 36.509 3.342 1.00 0.00 H new ATOM 0 HE ARG A 103 70.392 38.888 4.659 1.00 0.00 H new ATOM 0 HH11 ARG A 103 73.020 37.533 2.731 1.00 0.00 H new ATOM 0 HH12 ARG A 103 73.489 39.098 2.058 1.00 0.00 H new ATOM 0 HH21 ARG A 103 71.000 40.895 3.792 1.00 0.00 H new ATOM 0 HH22 ARG A 103 72.350 40.994 2.656 1.00 0.00 H new ATOM 1682 N VAL A 104 68.092 33.944 5.164 1.00 0.00 N ATOM 1683 CA VAL A 104 68.153 32.492 5.046 1.00 0.00 C ATOM 1684 C VAL A 104 66.778 31.865 5.248 1.00 0.00 C ATOM 1685 O VAL A 104 66.363 30.992 4.485 1.00 0.00 O ATOM 1686 CB VAL A 104 69.136 31.887 6.066 1.00 0.00 C ATOM 1687 CG1 VAL A 104 69.231 30.379 5.887 1.00 0.00 C ATOM 1688 CG2 VAL A 104 70.506 32.535 5.935 1.00 0.00 C ATOM 0 H VAL A 104 68.601 34.324 5.962 1.00 0.00 H new ATOM 0 HA VAL A 104 68.505 32.271 4.038 1.00 0.00 H new ATOM 0 HB VAL A 104 68.760 32.087 7.069 1.00 0.00 H new ATOM 0 HG11 VAL A 104 69.930 29.969 6.616 1.00 0.00 H new ATOM 0 HG12 VAL A 104 68.248 29.932 6.036 1.00 0.00 H new ATOM 0 HG13 VAL A 104 69.583 30.154 4.880 1.00 0.00 H new ATOM 0 HG21 VAL A 104 71.188 32.095 6.663 1.00 0.00 H new ATOM 0 HG22 VAL A 104 70.893 32.369 4.930 1.00 0.00 H new ATOM 0 HG23 VAL A 104 70.421 33.606 6.118 1.00 0.00 H new ATOM 1698 N LEU A 105 66.075 32.316 6.281 1.00 0.00 N ATOM 1699 CA LEU A 105 64.744 31.801 6.584 1.00 0.00 C ATOM 1700 C LEU A 105 63.746 32.200 5.502 1.00 0.00 C ATOM 1701 O LEU A 105 63.019 31.359 4.974 1.00 0.00 O ATOM 1702 CB LEU A 105 64.273 32.318 7.945 1.00 0.00 C ATOM 1703 CG LEU A 105 64.976 31.726 9.167 1.00 0.00 C ATOM 1704 CD1 LEU A 105 64.468 32.380 10.443 1.00 0.00 C ATOM 1705 CD2 LEU A 105 64.773 30.219 9.221 1.00 0.00 C ATOM 0 H LEU A 105 66.404 33.037 6.923 1.00 0.00 H new ATOM 0 HA LEU A 105 64.801 30.713 6.616 1.00 0.00 H new ATOM 0 HB2 LEU A 105 64.402 33.400 7.965 1.00 0.00 H new ATOM 0 HB3 LEU A 105 63.204 32.123 8.035 1.00 0.00 H new ATOM 0 HG LEU A 105 66.044 31.926 9.080 1.00 0.00 H new ATOM 0 HD11 LEU A 105 64.979 31.946 11.303 1.00 0.00 H new ATOM 0 HD12 LEU A 105 64.665 33.451 10.406 1.00 0.00 H new ATOM 0 HD13 LEU A 105 63.395 32.211 10.536 1.00 0.00 H new ATOM 0 HD21 LEU A 105 65.280 29.815 10.097 1.00 0.00 H new ATOM 0 HD22 LEU A 105 63.708 29.997 9.284 1.00 0.00 H new ATOM 0 HD23 LEU A 105 65.186 29.764 8.321 1.00 0.00 H new ATOM 1717 N ALA A 106 63.717 33.488 5.177 1.00 0.00 N ATOM 1718 CA ALA A 106 62.812 33.998 4.155 1.00 0.00 C ATOM 1719 C ALA A 106 62.921 33.185 2.870 1.00 0.00 C ATOM 1720 O ALA A 106 61.915 32.739 2.319 1.00 0.00 O ATOM 1721 CB ALA A 106 63.100 35.466 3.879 1.00 0.00 C ATOM 0 H ALA A 106 64.310 34.198 5.607 1.00 0.00 H new ATOM 0 HA ALA A 106 61.792 33.903 4.528 1.00 0.00 H new ATOM 0 HB1 ALA A 106 62.416 35.833 3.114 1.00 0.00 H new ATOM 0 HB2 ALA A 106 62.963 36.042 4.794 1.00 0.00 H new ATOM 0 HB3 ALA A 106 64.127 35.576 3.531 1.00 0.00 H new ATOM 1727 N ALA A 107 64.149 32.997 2.397 1.00 0.00 N ATOM 1728 CA ALA A 107 64.389 32.236 1.176 1.00 0.00 C ATOM 1729 C ALA A 107 63.918 30.794 1.327 1.00 0.00 C ATOM 1730 O ALA A 107 63.273 30.247 0.433 1.00 0.00 O ATOM 1731 CB ALA A 107 65.866 32.276 0.812 1.00 0.00 C ATOM 0 H ALA A 107 64.993 33.361 2.840 1.00 0.00 H new ATOM 0 HA ALA A 107 63.815 32.695 0.371 1.00 0.00 H new ATOM 0 HB1 ALA A 107 66.031 31.704 -0.101 1.00 0.00 H new ATOM 0 HB2 ALA A 107 66.174 33.310 0.654 1.00 0.00 H new ATOM 0 HB3 ALA A 107 66.452 31.843 1.622 1.00 0.00 H new ATOM 1737 N GLN A 108 64.245 30.185 2.462 1.00 0.00 N ATOM 1738 CA GLN A 108 63.855 28.805 2.727 1.00 0.00 C ATOM 1739 C GLN A 108 62.351 28.622 2.559 1.00 0.00 C ATOM 1740 O GLN A 108 61.899 27.670 1.923 1.00 0.00 O ATOM 1741 CB GLN A 108 64.276 28.397 4.140 1.00 0.00 C ATOM 1742 CG GLN A 108 64.192 26.900 4.392 1.00 0.00 C ATOM 1743 CD GLN A 108 62.795 26.449 4.770 1.00 0.00 C ATOM 1744 OE1 GLN A 108 62.129 25.747 4.009 1.00 0.00 O ATOM 1745 NE2 GLN A 108 62.343 26.852 5.952 1.00 0.00 N ATOM 0 H GLN A 108 64.778 30.625 3.212 1.00 0.00 H new ATOM 0 HA GLN A 108 64.363 28.165 2.005 1.00 0.00 H new ATOM 0 HB2 GLN A 108 65.299 28.730 4.316 1.00 0.00 H new ATOM 0 HB3 GLN A 108 63.644 28.914 4.862 1.00 0.00 H new ATOM 0 HG2 GLN A 108 64.512 26.366 3.497 1.00 0.00 H new ATOM 0 HG3 GLN A 108 64.885 26.630 5.189 1.00 0.00 H new ATOM 0 HE21 GLN A 108 62.929 27.433 6.551 1.00 0.00 H new ATOM 0 HE22 GLN A 108 61.410 26.580 6.261 1.00 0.00 H new ATOM 1754 N ALA A 109 61.580 29.540 3.133 1.00 0.00 N ATOM 1755 CA ALA A 109 60.126 29.480 3.045 1.00 0.00 C ATOM 1756 C ALA A 109 59.645 29.860 1.649 1.00 0.00 C ATOM 1757 O ALA A 109 58.825 29.162 1.052 1.00 0.00 O ATOM 1758 CB ALA A 109 59.497 30.390 4.089 1.00 0.00 C ATOM 0 H ALA A 109 61.938 30.334 3.664 1.00 0.00 H new ATOM 0 HA ALA A 109 59.816 28.453 3.240 1.00 0.00 H new ATOM 0 HB1 ALA A 109 58.411 30.336 4.012 1.00 0.00 H new ATOM 0 HB2 ALA A 109 59.807 30.071 5.084 1.00 0.00 H new ATOM 0 HB3 ALA A 109 59.822 31.417 3.920 1.00 0.00 H new ATOM 1764 N TYR A 110 60.158 30.972 1.133 1.00 0.00 N ATOM 1765 CA TYR A 110 59.778 31.447 -0.192 1.00 0.00 C ATOM 1766 C TYR A 110 59.971 30.354 -1.238 1.00 0.00 C ATOM 1767 O TYR A 110 59.119 30.149 -2.103 1.00 0.00 O ATOM 1768 CB TYR A 110 60.600 32.680 -0.569 1.00 0.00 C ATOM 1769 CG TYR A 110 60.019 33.977 -0.050 1.00 0.00 C ATOM 1770 CD1 TYR A 110 58.690 34.307 -0.280 1.00 0.00 C ATOM 1771 CD2 TYR A 110 60.801 34.871 0.671 1.00 0.00 C ATOM 1772 CE1 TYR A 110 58.156 35.490 0.191 1.00 0.00 C ATOM 1773 CE2 TYR A 110 60.275 36.056 1.148 1.00 0.00 C ATOM 1774 CZ TYR A 110 58.952 36.361 0.905 1.00 0.00 C ATOM 1775 OH TYR A 110 58.423 37.541 1.378 1.00 0.00 O ATOM 0 H TYR A 110 60.838 31.561 1.613 1.00 0.00 H new ATOM 0 HA TYR A 110 58.722 31.717 -0.165 1.00 0.00 H new ATOM 0 HB2 TYR A 110 61.612 32.564 -0.181 1.00 0.00 H new ATOM 0 HB3 TYR A 110 60.679 32.736 -1.655 1.00 0.00 H new ATOM 0 HD1 TYR A 110 58.063 33.626 -0.837 1.00 0.00 H new ATOM 0 HD2 TYR A 110 61.838 34.635 0.862 1.00 0.00 H new ATOM 0 HE1 TYR A 110 57.121 35.732 0.001 1.00 0.00 H new ATOM 0 HE2 TYR A 110 60.896 36.740 1.708 1.00 0.00 H new ATOM 0 HH TYR A 110 59.115 38.039 1.861 1.00 0.00 H new ATOM 1785 N TRP A 111 61.096 29.654 -1.152 1.00 0.00 N ATOM 1786 CA TRP A 111 61.402 28.580 -2.091 1.00 0.00 C ATOM 1787 C TRP A 111 60.667 27.300 -1.712 1.00 0.00 C ATOM 1788 O TRP A 111 60.508 26.397 -2.534 1.00 0.00 O ATOM 1789 CB TRP A 111 62.909 28.324 -2.132 1.00 0.00 C ATOM 1790 CG TRP A 111 63.697 29.493 -2.643 1.00 0.00 C ATOM 1791 CD1 TRP A 111 64.765 30.089 -2.036 1.00 0.00 C ATOM 1792 CD2 TRP A 111 63.476 30.206 -3.864 1.00 0.00 C ATOM 1793 NE1 TRP A 111 65.222 31.131 -2.807 1.00 0.00 N ATOM 1794 CE2 TRP A 111 64.448 31.223 -3.934 1.00 0.00 C ATOM 1795 CE3 TRP A 111 62.553 30.084 -4.906 1.00 0.00 C ATOM 1796 CZ2 TRP A 111 64.521 32.111 -5.004 1.00 0.00 C ATOM 1797 CZ3 TRP A 111 62.627 30.966 -5.968 1.00 0.00 C ATOM 1798 CH2 TRP A 111 63.605 31.968 -6.011 1.00 0.00 C ATOM 0 H TRP A 111 61.812 29.810 -0.442 1.00 0.00 H new ATOM 0 HA TRP A 111 61.066 28.890 -3.081 1.00 0.00 H new ATOM 0 HB2 TRP A 111 63.255 28.072 -1.129 1.00 0.00 H new ATOM 0 HB3 TRP A 111 63.106 27.458 -2.764 1.00 0.00 H new ATOM 0 HD1 TRP A 111 65.188 29.786 -1.090 1.00 0.00 H new ATOM 0 HE1 TRP A 111 66.009 31.737 -2.578 1.00 0.00 H new ATOM 0 HE3 TRP A 111 61.795 29.315 -4.882 1.00 0.00 H new ATOM 0 HZ2 TRP A 111 65.273 32.885 -5.038 1.00 0.00 H new ATOM 0 HZ3 TRP A 111 61.918 30.881 -6.779 1.00 0.00 H new ATOM 0 HH2 TRP A 111 63.637 32.641 -6.855 1.00 0.00 H new ATOM 1809 N SER A 112 60.220 27.227 -0.462 1.00 0.00 N ATOM 1810 CA SER A 112 59.504 26.054 0.027 1.00 0.00 C ATOM 1811 C SER A 112 58.308 25.737 -0.866 1.00 0.00 C ATOM 1812 O SER A 112 57.473 26.600 -1.135 1.00 0.00 O ATOM 1813 CB SER A 112 59.035 26.280 1.466 1.00 0.00 C ATOM 1814 OG SER A 112 57.735 26.844 1.496 1.00 0.00 O ATOM 0 H SER A 112 60.341 27.966 0.230 1.00 0.00 H new ATOM 0 HA SER A 112 60.188 25.205 0.004 1.00 0.00 H new ATOM 0 HB2 SER A 112 59.036 25.333 2.005 1.00 0.00 H new ATOM 0 HB3 SER A 112 59.733 26.940 1.980 1.00 0.00 H new ATOM 0 HG SER A 112 57.764 27.753 1.131 1.00 0.00 H new