USER MOD reduce.3.24.130724 H: found=0, std=0, add=375, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 377 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 Set 1.1: A 40 MET CE :methyl -118:sc= -6.39! (180deg=-9.38!) USER MOD Set 1.2: A 41 TYR OH : rot 30:sc= -0.264 USER MOD Single : A 35 CYS SG : rot -81:sc= 0.0877 USER MOD Single : A 36 GLN : amide:sc= 0 K(o=0,f=-0.93) USER MOD Single : A 43 TYR OH : rot -117:sc= 0.0344 USER MOD Single : A 52 SER OG : rot 180:sc= -0.452 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 GLN : amide:sc= -0.316 K(o=-0.32,f=-3!) USER MOD Single : A 60 ASN : amide:sc= -2.39 K(o=-2.4,f=-11!) USER MOD Single : A 62 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 63 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 64 LYS NZ :NH3+ -138:sc= -0.0113 (180deg=-0.313) USER MOD Single : A 71 GLN : amide:sc= -0.0355 K(o=-0.035,f=-1.6!) USER MOD Single : A 75 ASN : amide:sc= 0 X(o=0,f=-0.028) USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 83 SER OG : rot -173:sc= 0.843 USER MOD Single : A 84 ASN : amide:sc= -3.33! C(o=-3.3!,f=-4.4!) USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 87 LYS NZ :NH3+ -147:sc= 0 (180deg=-0.14) USER MOD ----------------------------------------------------------------- ATOM 467 N VAL A 34 -8.337 -2.913 3.135 1.00 0.00 N ATOM 468 CA VAL A 34 -8.966 -3.528 1.972 1.00 0.00 C ATOM 469 C VAL A 34 -8.294 -4.851 1.620 1.00 0.00 C ATOM 470 O VAL A 34 -8.934 -5.763 1.093 1.00 0.00 O ATOM 471 CB VAL A 34 -8.913 -2.597 0.746 1.00 0.00 C ATOM 472 CG1 VAL A 34 -9.806 -1.384 0.959 1.00 0.00 C ATOM 473 CG2 VAL A 34 -7.480 -2.171 0.463 1.00 0.00 C ATOM 0 HA VAL A 34 -10.008 -3.710 2.235 1.00 0.00 H new ATOM 0 HB VAL A 34 -9.283 -3.144 -0.121 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -9.756 -0.737 0.083 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -10.835 -1.711 1.110 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -9.468 -0.833 1.837 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -7.461 -1.514 -0.406 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -7.080 -1.641 1.328 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -6.871 -3.053 0.265 1.00 0.00 H new ATOM 483 N CYS A 35 -7.003 -4.950 1.914 1.00 0.00 N ATOM 484 CA CYS A 35 -6.244 -6.162 1.629 1.00 0.00 C ATOM 485 C CYS A 35 -4.868 -6.109 2.284 1.00 0.00 C ATOM 486 O CYS A 35 -4.494 -5.101 2.883 1.00 0.00 O ATOM 487 CB CYS A 35 -6.095 -6.352 0.118 1.00 0.00 C ATOM 488 SG CYS A 35 -5.917 -8.076 -0.395 1.00 0.00 S ATOM 0 H CYS A 35 -6.459 -4.205 2.350 1.00 0.00 H new ATOM 0 HA CYS A 35 -6.791 -7.009 2.043 1.00 0.00 H new ATOM 0 HB2 CYS A 35 -6.966 -5.924 -0.379 1.00 0.00 H new ATOM 0 HB3 CYS A 35 -5.225 -5.791 -0.224 1.00 0.00 H new ATOM 0 HG CYS A 35 -4.684 -8.453 -0.230 1.00 0.00 H new ATOM 494 N GLN A 36 -4.120 -7.201 2.168 1.00 0.00 N ATOM 495 CA GLN A 36 -2.786 -7.279 2.751 1.00 0.00 C ATOM 496 C GLN A 36 -1.742 -7.591 1.684 1.00 0.00 C ATOM 497 O GLN A 36 -1.872 -8.562 0.939 1.00 0.00 O ATOM 498 CB GLN A 36 -2.747 -8.346 3.847 1.00 0.00 C ATOM 499 CG GLN A 36 -1.515 -8.264 4.733 1.00 0.00 C ATOM 500 CD GLN A 36 -1.489 -9.343 5.798 1.00 0.00 C ATOM 501 OE1 GLN A 36 -2.281 -10.285 5.763 1.00 0.00 O ATOM 502 NE2 GLN A 36 -0.575 -9.211 6.752 1.00 0.00 N ATOM 0 H GLN A 36 -4.415 -8.044 1.676 1.00 0.00 H new ATOM 0 HA GLN A 36 -2.552 -6.309 3.189 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -3.638 -8.250 4.468 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -2.786 -9.332 3.384 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -0.621 -8.348 4.115 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -1.481 -7.285 5.212 1.00 0.00 H new ATOM 0 HE21 GLN A 36 0.061 -8.414 6.742 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -0.509 -9.907 7.495 1.00 0.00 H new ATOM 511 N VAL A 37 -0.706 -6.761 1.616 1.00 0.00 N ATOM 512 CA VAL A 37 0.361 -6.948 0.641 1.00 0.00 C ATOM 513 C VAL A 37 1.719 -7.051 1.325 1.00 0.00 C ATOM 514 O VAL A 37 1.841 -6.803 2.525 1.00 0.00 O ATOM 515 CB VAL A 37 0.398 -5.795 -0.379 1.00 0.00 C ATOM 516 CG1 VAL A 37 -0.910 -5.722 -1.151 1.00 0.00 C ATOM 517 CG2 VAL A 37 0.689 -4.475 0.320 1.00 0.00 C ATOM 0 H VAL A 37 -0.583 -5.952 2.225 1.00 0.00 H new ATOM 0 HA VAL A 37 0.150 -7.880 0.117 1.00 0.00 H new ATOM 0 HB VAL A 37 1.201 -5.988 -1.090 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -0.865 -4.901 -1.867 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -1.071 -6.659 -1.683 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -1.733 -5.553 -0.457 1.00 0.00 H new ATOM 0 HG21 VAL A 37 0.712 -3.671 -0.416 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -0.090 -4.273 1.055 1.00 0.00 H new ATOM 0 HG23 VAL A 37 1.655 -4.534 0.822 1.00 0.00 H new ATOM 527 N ILE A 38 2.738 -7.418 0.555 1.00 0.00 N ATOM 528 CA ILE A 38 4.088 -7.552 1.087 1.00 0.00 C ATOM 529 C ILE A 38 5.079 -6.708 0.291 1.00 0.00 C ATOM 530 O ILE A 38 4.920 -6.517 -0.914 1.00 0.00 O ATOM 531 CB ILE A 38 4.555 -9.020 1.074 1.00 0.00 C ATOM 532 CG1 ILE A 38 5.663 -9.234 2.107 1.00 0.00 C ATOM 533 CG2 ILE A 38 5.037 -9.410 -0.316 1.00 0.00 C ATOM 534 CD1 ILE A 38 5.696 -10.636 2.675 1.00 0.00 C ATOM 0 H ILE A 38 2.654 -7.628 -0.440 1.00 0.00 H new ATOM 0 HA ILE A 38 4.058 -7.198 2.117 1.00 0.00 H new ATOM 0 HB ILE A 38 3.711 -9.657 1.337 1.00 0.00 H new ATOM 0 HG12 ILE A 38 6.626 -9.015 1.646 1.00 0.00 H new ATOM 0 HG13 ILE A 38 5.531 -8.523 2.923 1.00 0.00 H new ATOM 0 HG21 ILE A 38 5.364 -10.450 -0.309 1.00 0.00 H new ATOM 0 HG22 ILE A 38 4.223 -9.290 -1.030 1.00 0.00 H new ATOM 0 HG23 ILE A 38 5.870 -8.770 -0.605 1.00 0.00 H new ATOM 0 HD11 ILE A 38 6.506 -10.716 3.400 1.00 0.00 H new ATOM 0 HD12 ILE A 38 4.747 -10.852 3.165 1.00 0.00 H new ATOM 0 HD13 ILE A 38 5.859 -11.351 1.869 1.00 0.00 H new ATOM 546 N ALA A 39 6.102 -6.206 0.975 1.00 0.00 N ATOM 547 CA ALA A 39 7.121 -5.386 0.332 1.00 0.00 C ATOM 548 C ALA A 39 8.040 -6.235 -0.540 1.00 0.00 C ATOM 549 O ALA A 39 8.607 -7.226 -0.079 1.00 0.00 O ATOM 550 CB ALA A 39 7.930 -4.633 1.378 1.00 0.00 C ATOM 0 H ALA A 39 6.247 -6.353 1.974 1.00 0.00 H new ATOM 0 HA ALA A 39 6.618 -4.664 -0.312 1.00 0.00 H new ATOM 0 HB1 ALA A 39 8.687 -4.025 0.884 1.00 0.00 H new ATOM 0 HB2 ALA A 39 7.267 -3.989 1.956 1.00 0.00 H new ATOM 0 HB3 ALA A 39 8.416 -5.346 2.045 1.00 0.00 H new ATOM 556 N MET A 40 8.183 -5.842 -1.801 1.00 0.00 N ATOM 557 CA MET A 40 9.034 -6.567 -2.736 1.00 0.00 C ATOM 558 C MET A 40 10.489 -6.132 -2.597 1.00 0.00 C ATOM 559 O MET A 40 11.402 -6.956 -2.662 1.00 0.00 O ATOM 560 CB MET A 40 8.557 -6.343 -4.173 1.00 0.00 C ATOM 561 CG MET A 40 7.116 -6.765 -4.408 1.00 0.00 C ATOM 562 SD MET A 40 6.298 -5.771 -5.670 1.00 0.00 S ATOM 563 CE MET A 40 7.531 -5.791 -6.969 1.00 0.00 C ATOM 0 H MET A 40 7.720 -5.025 -2.199 1.00 0.00 H new ATOM 0 HA MET A 40 8.967 -7.629 -2.500 1.00 0.00 H new ATOM 0 HB2 MET A 40 8.663 -5.287 -4.422 1.00 0.00 H new ATOM 0 HB3 MET A 40 9.205 -6.897 -4.853 1.00 0.00 H new ATOM 0 HG2 MET A 40 7.092 -7.813 -4.705 1.00 0.00 H new ATOM 0 HG3 MET A 40 6.561 -6.686 -3.473 1.00 0.00 H new ATOM 0 HE1 MET A 40 7.871 -4.774 -7.163 1.00 0.00 H new ATOM 0 HE2 MET A 40 8.377 -6.404 -6.658 1.00 0.00 H new ATOM 0 HE3 MET A 40 7.096 -6.208 -7.877 1.00 0.00 H new ATOM 573 N TYR A 41 10.698 -4.834 -2.406 1.00 0.00 N ATOM 574 CA TYR A 41 12.043 -4.290 -2.261 1.00 0.00 C ATOM 575 C TYR A 41 12.125 -3.354 -1.058 1.00 0.00 C ATOM 576 O TYR A 41 11.127 -2.757 -0.654 1.00 0.00 O ATOM 577 CB TYR A 41 12.454 -3.544 -3.531 1.00 0.00 C ATOM 578 CG TYR A 41 11.846 -4.115 -4.792 1.00 0.00 C ATOM 579 CD1 TYR A 41 12.485 -5.124 -5.500 1.00 0.00 C ATOM 580 CD2 TYR A 41 10.630 -3.645 -5.275 1.00 0.00 C ATOM 581 CE1 TYR A 41 11.934 -5.648 -6.653 1.00 0.00 C ATOM 582 CE2 TYR A 41 10.070 -4.163 -6.426 1.00 0.00 C ATOM 583 CZ TYR A 41 10.726 -5.164 -7.112 1.00 0.00 C ATOM 584 OH TYR A 41 10.172 -5.684 -8.260 1.00 0.00 O ATOM 0 H TYR A 41 9.953 -4.139 -2.348 1.00 0.00 H new ATOM 0 HA TYR A 41 12.729 -5.122 -2.099 1.00 0.00 H new ATOM 0 HB2 TYR A 41 12.162 -2.498 -3.438 1.00 0.00 H new ATOM 0 HB3 TYR A 41 13.540 -3.565 -3.619 1.00 0.00 H new ATOM 0 HD1 TYR A 41 13.430 -5.506 -5.143 1.00 0.00 H new ATOM 0 HD2 TYR A 41 10.114 -2.861 -4.741 1.00 0.00 H new ATOM 0 HE1 TYR A 41 12.445 -6.432 -7.192 1.00 0.00 H new ATOM 0 HE2 TYR A 41 9.124 -3.787 -6.787 1.00 0.00 H new ATOM 0 HH TYR A 41 10.441 -6.621 -8.358 1.00 0.00 H new ATOM 594 N ASP A 42 13.320 -3.231 -0.493 1.00 0.00 N ATOM 595 CA ASP A 42 13.535 -2.367 0.662 1.00 0.00 C ATOM 596 C ASP A 42 13.204 -0.916 0.324 1.00 0.00 C ATOM 597 O ASP A 42 14.017 -0.206 -0.269 1.00 0.00 O ATOM 598 CB ASP A 42 14.982 -2.474 1.144 1.00 0.00 C ATOM 599 CG ASP A 42 15.489 -3.903 1.141 1.00 0.00 C ATOM 600 OD1 ASP A 42 15.663 -4.469 0.042 1.00 0.00 O ATOM 601 OD2 ASP A 42 15.712 -4.455 2.239 1.00 0.00 O ATOM 0 H ASP A 42 14.156 -3.719 -0.816 1.00 0.00 H new ATOM 0 HA ASP A 42 12.870 -2.697 1.460 1.00 0.00 H new ATOM 0 HB2 ASP A 42 15.621 -1.864 0.506 1.00 0.00 H new ATOM 0 HB3 ASP A 42 15.057 -2.067 2.152 1.00 0.00 H new ATOM 606 N TYR A 43 12.007 -0.484 0.703 1.00 0.00 N ATOM 607 CA TYR A 43 11.568 0.881 0.437 1.00 0.00 C ATOM 608 C TYR A 43 11.993 1.819 1.563 1.00 0.00 C ATOM 609 O TYR A 43 11.775 1.534 2.740 1.00 0.00 O ATOM 610 CB TYR A 43 10.048 0.926 0.268 1.00 0.00 C ATOM 611 CG TYR A 43 9.553 2.174 -0.426 1.00 0.00 C ATOM 612 CD1 TYR A 43 9.720 3.427 0.151 1.00 0.00 C ATOM 613 CD2 TYR A 43 8.918 2.101 -1.660 1.00 0.00 C ATOM 614 CE1 TYR A 43 9.269 4.570 -0.479 1.00 0.00 C ATOM 615 CE2 TYR A 43 8.464 3.239 -2.298 1.00 0.00 C ATOM 616 CZ TYR A 43 8.642 4.471 -1.704 1.00 0.00 C ATOM 617 OH TYR A 43 8.191 5.607 -2.336 1.00 0.00 O ATOM 0 H TYR A 43 11.323 -1.059 1.195 1.00 0.00 H new ATOM 0 HA TYR A 43 12.040 1.214 -0.487 1.00 0.00 H new ATOM 0 HB2 TYR A 43 9.728 0.053 -0.301 1.00 0.00 H new ATOM 0 HB3 TYR A 43 9.579 0.856 1.250 1.00 0.00 H new ATOM 0 HD1 TYR A 43 10.211 3.508 1.109 1.00 0.00 H new ATOM 0 HD2 TYR A 43 8.777 1.138 -2.128 1.00 0.00 H new ATOM 0 HE1 TYR A 43 9.406 5.536 -0.016 1.00 0.00 H new ATOM 0 HE2 TYR A 43 7.972 3.164 -3.257 1.00 0.00 H new ATOM 0 HH TYR A 43 7.216 5.566 -2.425 1.00 0.00 H new ATOM 627 N ALA A 44 12.602 2.940 1.191 1.00 0.00 N ATOM 628 CA ALA A 44 13.056 3.923 2.167 1.00 0.00 C ATOM 629 C ALA A 44 12.430 5.288 1.904 1.00 0.00 C ATOM 630 O ALA A 44 12.876 6.027 1.026 1.00 0.00 O ATOM 631 CB ALA A 44 14.574 4.024 2.147 1.00 0.00 C ATOM 0 H ALA A 44 12.792 3.190 0.221 1.00 0.00 H new ATOM 0 HA ALA A 44 12.737 3.591 3.155 1.00 0.00 H new ATOM 0 HB1 ALA A 44 14.899 4.762 2.881 1.00 0.00 H new ATOM 0 HB2 ALA A 44 15.006 3.054 2.392 1.00 0.00 H new ATOM 0 HB3 ALA A 44 14.905 4.329 1.154 1.00 0.00 H new ATOM 637 N ALA A 45 11.394 5.616 2.669 1.00 0.00 N ATOM 638 CA ALA A 45 10.708 6.894 2.519 1.00 0.00 C ATOM 639 C ALA A 45 11.666 8.060 2.734 1.00 0.00 C ATOM 640 O ALA A 45 12.193 8.249 3.829 1.00 0.00 O ATOM 641 CB ALA A 45 9.539 6.982 3.489 1.00 0.00 C ATOM 0 H ALA A 45 11.011 5.015 3.399 1.00 0.00 H new ATOM 0 HA ALA A 45 10.326 6.956 1.500 1.00 0.00 H new ATOM 0 HB1 ALA A 45 9.036 7.941 3.366 1.00 0.00 H new ATOM 0 HB2 ALA A 45 8.836 6.175 3.285 1.00 0.00 H new ATOM 0 HB3 ALA A 45 9.907 6.893 4.511 1.00 0.00 H new ATOM 702 N GLU A 50 6.236 9.506 2.861 1.00 0.00 N ATOM 703 CA GLU A 50 6.355 8.124 2.411 1.00 0.00 C ATOM 704 C GLU A 50 6.547 7.181 3.595 1.00 0.00 C ATOM 705 O GLU A 50 6.703 7.620 4.735 1.00 0.00 O ATOM 706 CB GLU A 50 7.527 7.981 1.437 1.00 0.00 C ATOM 707 CG GLU A 50 7.253 8.574 0.065 1.00 0.00 C ATOM 708 CD GLU A 50 8.364 8.287 -0.927 1.00 0.00 C ATOM 709 OE1 GLU A 50 9.501 8.023 -0.483 1.00 0.00 O ATOM 710 OE2 GLU A 50 8.097 8.328 -2.146 1.00 0.00 O ATOM 0 HA GLU A 50 5.431 7.854 1.900 1.00 0.00 H new ATOM 0 HB2 GLU A 50 8.405 8.465 1.864 1.00 0.00 H new ATOM 0 HB3 GLU A 50 7.769 6.924 1.325 1.00 0.00 H new ATOM 0 HG2 GLU A 50 6.315 8.173 -0.319 1.00 0.00 H new ATOM 0 HG3 GLU A 50 7.124 9.652 0.158 1.00 0.00 H new ATOM 717 N LEU A 51 6.533 5.882 3.317 1.00 0.00 N ATOM 718 CA LEU A 51 6.704 4.875 4.359 1.00 0.00 C ATOM 719 C LEU A 51 8.019 4.123 4.179 1.00 0.00 C ATOM 720 O LEU A 51 8.300 3.592 3.104 1.00 0.00 O ATOM 721 CB LEU A 51 5.534 3.889 4.340 1.00 0.00 C ATOM 722 CG LEU A 51 5.121 3.313 5.695 1.00 0.00 C ATOM 723 CD1 LEU A 51 4.018 2.280 5.521 1.00 0.00 C ATOM 724 CD2 LEU A 51 6.321 2.701 6.402 1.00 0.00 C ATOM 0 H LEU A 51 6.405 5.501 2.379 1.00 0.00 H new ATOM 0 HA LEU A 51 6.727 5.385 5.322 1.00 0.00 H new ATOM 0 HB2 LEU A 51 4.670 4.389 3.902 1.00 0.00 H new ATOM 0 HB3 LEU A 51 5.793 3.062 3.679 1.00 0.00 H new ATOM 0 HG LEU A 51 4.736 4.125 6.312 1.00 0.00 H new ATOM 0 HD11 LEU A 51 3.737 1.881 6.495 1.00 0.00 H new ATOM 0 HD12 LEU A 51 3.150 2.749 5.057 1.00 0.00 H new ATOM 0 HD13 LEU A 51 4.376 1.469 4.886 1.00 0.00 H new ATOM 0 HD21 LEU A 51 6.009 2.296 7.365 1.00 0.00 H new ATOM 0 HD22 LEU A 51 6.735 1.901 5.789 1.00 0.00 H new ATOM 0 HD23 LEU A 51 7.080 3.467 6.560 1.00 0.00 H new ATOM 736 N SER A 52 8.821 4.082 5.238 1.00 0.00 N ATOM 737 CA SER A 52 10.107 3.396 5.197 1.00 0.00 C ATOM 738 C SER A 52 9.977 1.965 5.707 1.00 0.00 C ATOM 739 O SER A 52 9.707 1.736 6.886 1.00 0.00 O ATOM 740 CB SER A 52 11.140 4.156 6.031 1.00 0.00 C ATOM 741 OG SER A 52 11.473 5.394 5.428 1.00 0.00 O ATOM 0 H SER A 52 8.603 4.516 6.135 1.00 0.00 H new ATOM 0 HA SER A 52 10.441 3.363 4.160 1.00 0.00 H new ATOM 0 HB2 SER A 52 10.746 4.330 7.032 1.00 0.00 H new ATOM 0 HB3 SER A 52 12.039 3.549 6.143 1.00 0.00 H new ATOM 0 HG SER A 52 12.134 5.860 5.982 1.00 0.00 H new ATOM 747 N PHE A 53 10.171 1.003 4.810 1.00 0.00 N ATOM 748 CA PHE A 53 10.075 -0.407 5.168 1.00 0.00 C ATOM 749 C PHE A 53 11.103 -1.234 4.402 1.00 0.00 C ATOM 750 O PHE A 53 11.711 -0.756 3.444 1.00 0.00 O ATOM 751 CB PHE A 53 8.666 -0.932 4.883 1.00 0.00 C ATOM 752 CG PHE A 53 8.187 -0.638 3.490 1.00 0.00 C ATOM 753 CD1 PHE A 53 7.520 0.542 3.207 1.00 0.00 C ATOM 754 CD2 PHE A 53 8.404 -1.544 2.464 1.00 0.00 C ATOM 755 CE1 PHE A 53 7.078 0.816 1.926 1.00 0.00 C ATOM 756 CE2 PHE A 53 7.965 -1.276 1.181 1.00 0.00 C ATOM 757 CZ PHE A 53 7.301 -0.095 0.912 1.00 0.00 C ATOM 0 H PHE A 53 10.396 1.175 3.830 1.00 0.00 H new ATOM 0 HA PHE A 53 10.282 -0.501 6.234 1.00 0.00 H new ATOM 0 HB2 PHE A 53 8.649 -2.010 5.045 1.00 0.00 H new ATOM 0 HB3 PHE A 53 7.971 -0.491 5.598 1.00 0.00 H new ATOM 0 HD1 PHE A 53 7.343 1.257 3.997 1.00 0.00 H new ATOM 0 HD2 PHE A 53 8.922 -2.469 2.669 1.00 0.00 H new ATOM 0 HE1 PHE A 53 6.559 1.740 1.719 1.00 0.00 H new ATOM 0 HE2 PHE A 53 8.141 -1.989 0.390 1.00 0.00 H new ATOM 0 HZ PHE A 53 6.957 0.116 -0.090 1.00 0.00 H new ATOM 767 N SER A 54 11.291 -2.478 4.831 1.00 0.00 N ATOM 768 CA SER A 54 12.248 -3.371 4.188 1.00 0.00 C ATOM 769 C SER A 54 11.533 -4.528 3.498 1.00 0.00 C ATOM 770 O SER A 54 10.432 -4.916 3.890 1.00 0.00 O ATOM 771 CB SER A 54 13.243 -3.912 5.218 1.00 0.00 C ATOM 772 OG SER A 54 14.115 -2.891 5.670 1.00 0.00 O ATOM 0 H SER A 54 10.794 -2.890 5.620 1.00 0.00 H new ATOM 0 HA SER A 54 12.790 -2.801 3.434 1.00 0.00 H new ATOM 0 HB2 SER A 54 12.701 -4.333 6.065 1.00 0.00 H new ATOM 0 HB3 SER A 54 13.824 -4.722 4.777 1.00 0.00 H new ATOM 0 HG SER A 54 14.739 -3.262 6.328 1.00 0.00 H new ATOM 778 N LYS A 55 12.167 -5.077 2.468 1.00 0.00 N ATOM 779 CA LYS A 55 11.594 -6.191 1.721 1.00 0.00 C ATOM 780 C LYS A 55 11.007 -7.235 2.667 1.00 0.00 C ATOM 781 O LYS A 55 11.703 -7.763 3.533 1.00 0.00 O ATOM 782 CB LYS A 55 12.658 -6.836 0.830 1.00 0.00 C ATOM 783 CG LYS A 55 12.187 -8.105 0.142 1.00 0.00 C ATOM 784 CD LYS A 55 13.217 -8.615 -0.852 1.00 0.00 C ATOM 785 CE LYS A 55 12.886 -10.022 -1.326 1.00 0.00 C ATOM 786 NZ LYS A 55 13.290 -11.053 -0.330 1.00 0.00 N ATOM 0 H LYS A 55 13.079 -4.769 2.131 1.00 0.00 H new ATOM 0 HA LYS A 55 10.792 -5.801 1.094 1.00 0.00 H new ATOM 0 HB2 LYS A 55 12.971 -6.117 0.073 1.00 0.00 H new ATOM 0 HB3 LYS A 55 13.536 -7.065 1.434 1.00 0.00 H new ATOM 0 HG2 LYS A 55 11.990 -8.873 0.889 1.00 0.00 H new ATOM 0 HG3 LYS A 55 11.246 -7.913 -0.374 1.00 0.00 H new ATOM 0 HD2 LYS A 55 13.261 -7.942 -1.709 1.00 0.00 H new ATOM 0 HD3 LYS A 55 14.204 -8.608 -0.390 1.00 0.00 H new ATOM 0 HE2 LYS A 55 11.815 -10.099 -1.514 1.00 0.00 H new ATOM 0 HE3 LYS A 55 13.391 -10.214 -2.273 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 13.047 -11.998 -0.691 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 14.316 -10.997 -0.169 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 12.789 -10.885 0.566 1.00 0.00 H new ATOM 800 N GLY A 56 9.722 -7.528 2.492 1.00 0.00 N ATOM 801 CA GLY A 56 9.064 -8.508 3.336 1.00 0.00 C ATOM 802 C GLY A 56 8.502 -7.898 4.605 1.00 0.00 C ATOM 803 O GLY A 56 8.454 -8.551 5.647 1.00 0.00 O ATOM 0 H GLY A 56 9.125 -7.104 1.781 1.00 0.00 H new ATOM 0 HA2 GLY A 56 8.257 -8.982 2.776 1.00 0.00 H new ATOM 0 HA3 GLY A 56 9.774 -9.293 3.597 1.00 0.00 H new ATOM 807 N GLN A 57 8.077 -6.641 4.517 1.00 0.00 N ATOM 808 CA GLN A 57 7.518 -5.942 5.667 1.00 0.00 C ATOM 809 C GLN A 57 6.014 -6.175 5.768 1.00 0.00 C ATOM 810 O GLN A 57 5.380 -6.631 4.815 1.00 0.00 O ATOM 811 CB GLN A 57 7.808 -4.443 5.571 1.00 0.00 C ATOM 812 CG GLN A 57 7.604 -3.699 6.880 1.00 0.00 C ATOM 813 CD GLN A 57 8.426 -4.277 8.015 1.00 0.00 C ATOM 814 OE1 GLN A 57 7.954 -5.134 8.764 1.00 0.00 O ATOM 815 NE2 GLN A 57 9.662 -3.812 8.149 1.00 0.00 N ATOM 0 H GLN A 57 8.109 -6.087 3.661 1.00 0.00 H new ATOM 0 HA GLN A 57 7.990 -6.339 6.566 1.00 0.00 H new ATOM 0 HB2 GLN A 57 8.836 -4.301 5.238 1.00 0.00 H new ATOM 0 HB3 GLN A 57 7.163 -4.005 4.809 1.00 0.00 H new ATOM 0 HG2 GLN A 57 7.868 -2.651 6.742 1.00 0.00 H new ATOM 0 HG3 GLN A 57 6.548 -3.729 7.149 1.00 0.00 H new ATOM 0 HE21 GLN A 57 10.012 -3.102 7.506 1.00 0.00 H new ATOM 0 HE22 GLN A 57 10.262 -4.165 8.895 1.00 0.00 H new ATOM 824 N LEU A 58 5.448 -5.859 6.927 1.00 0.00 N ATOM 825 CA LEU A 58 4.017 -6.034 7.153 1.00 0.00 C ATOM 826 C LEU A 58 3.243 -4.788 6.735 1.00 0.00 C ATOM 827 O LEU A 58 3.269 -3.769 7.425 1.00 0.00 O ATOM 828 CB LEU A 58 3.747 -6.345 8.626 1.00 0.00 C ATOM 829 CG LEU A 58 2.422 -5.831 9.189 1.00 0.00 C ATOM 830 CD1 LEU A 58 1.263 -6.261 8.304 1.00 0.00 C ATOM 831 CD2 LEU A 58 2.220 -6.326 10.614 1.00 0.00 C ATOM 0 H LEU A 58 5.958 -5.480 7.725 1.00 0.00 H new ATOM 0 HA LEU A 58 3.678 -6.872 6.543 1.00 0.00 H new ATOM 0 HB2 LEU A 58 3.781 -7.426 8.760 1.00 0.00 H new ATOM 0 HB3 LEU A 58 4.559 -5.925 9.220 1.00 0.00 H new ATOM 0 HG LEU A 58 2.455 -4.742 9.205 1.00 0.00 H new ATOM 0 HD11 LEU A 58 0.328 -5.886 8.721 1.00 0.00 H new ATOM 0 HD12 LEU A 58 1.401 -5.857 7.301 1.00 0.00 H new ATOM 0 HD13 LEU A 58 1.227 -7.349 8.255 1.00 0.00 H new ATOM 0 HD21 LEU A 58 1.272 -5.950 10.999 1.00 0.00 H new ATOM 0 HD22 LEU A 58 2.209 -7.416 10.622 1.00 0.00 H new ATOM 0 HD23 LEU A 58 3.035 -5.967 11.243 1.00 0.00 H new ATOM 843 N ILE A 59 2.554 -4.878 5.602 1.00 0.00 N ATOM 844 CA ILE A 59 1.771 -3.759 5.094 1.00 0.00 C ATOM 845 C ILE A 59 0.350 -4.193 4.752 1.00 0.00 C ATOM 846 O ILE A 59 0.141 -5.227 4.119 1.00 0.00 O ATOM 847 CB ILE A 59 2.421 -3.138 3.844 1.00 0.00 C ATOM 848 CG1 ILE A 59 3.742 -2.460 4.213 1.00 0.00 C ATOM 849 CG2 ILE A 59 1.472 -2.142 3.193 1.00 0.00 C ATOM 850 CD1 ILE A 59 4.656 -2.233 3.029 1.00 0.00 C ATOM 0 H ILE A 59 2.522 -5.714 5.019 1.00 0.00 H new ATOM 0 HA ILE A 59 1.739 -3.011 5.886 1.00 0.00 H new ATOM 0 HB ILE A 59 2.630 -3.933 3.128 1.00 0.00 H new ATOM 0 HG12 ILE A 59 3.529 -1.502 4.687 1.00 0.00 H new ATOM 0 HG13 ILE A 59 4.261 -3.072 4.951 1.00 0.00 H new ATOM 0 HG21 ILE A 59 1.946 -1.711 2.311 1.00 0.00 H new ATOM 0 HG22 ILE A 59 0.554 -2.652 2.900 1.00 0.00 H new ATOM 0 HG23 ILE A 59 1.235 -1.348 3.902 1.00 0.00 H new ATOM 0 HD11 ILE A 59 5.573 -1.749 3.365 1.00 0.00 H new ATOM 0 HD12 ILE A 59 4.899 -3.190 2.568 1.00 0.00 H new ATOM 0 HD13 ILE A 59 4.155 -1.596 2.300 1.00 0.00 H new ATOM 862 N ASN A 60 -0.625 -3.394 5.174 1.00 0.00 N ATOM 863 CA ASN A 60 -2.028 -3.696 4.911 1.00 0.00 C ATOM 864 C ASN A 60 -2.697 -2.552 4.155 1.00 0.00 C ATOM 865 O ASN A 60 -3.037 -1.523 4.738 1.00 0.00 O ATOM 866 CB ASN A 60 -2.770 -3.957 6.223 1.00 0.00 C ATOM 867 CG ASN A 60 -2.210 -5.149 6.976 1.00 0.00 C ATOM 868 OD1 ASN A 60 -1.141 -5.661 6.643 1.00 0.00 O ATOM 869 ND2 ASN A 60 -2.933 -5.596 7.996 1.00 0.00 N ATOM 0 H ASN A 60 -0.470 -2.533 5.699 1.00 0.00 H new ATOM 0 HA ASN A 60 -2.071 -4.592 4.292 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -2.709 -3.071 6.854 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -3.826 -4.127 6.013 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -2.608 -6.395 8.540 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -3.813 -5.140 8.236 1.00 0.00 H new ATOM 876 N VAL A 61 -2.884 -2.741 2.852 1.00 0.00 N ATOM 877 CA VAL A 61 -3.515 -1.727 2.016 1.00 0.00 C ATOM 878 C VAL A 61 -4.897 -1.360 2.544 1.00 0.00 C ATOM 879 O VAL A 61 -5.764 -2.221 2.692 1.00 0.00 O ATOM 880 CB VAL A 61 -3.644 -2.204 0.557 1.00 0.00 C ATOM 881 CG1 VAL A 61 -4.268 -1.118 -0.307 1.00 0.00 C ATOM 882 CG2 VAL A 61 -2.287 -2.618 0.009 1.00 0.00 C ATOM 0 H VAL A 61 -2.607 -3.587 2.353 1.00 0.00 H new ATOM 0 HA VAL A 61 -2.873 -0.847 2.047 1.00 0.00 H new ATOM 0 HB VAL A 61 -4.300 -3.074 0.535 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -4.351 -1.473 -1.334 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -5.260 -0.875 0.074 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -3.641 -0.227 -0.281 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -2.398 -2.952 -1.023 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -1.606 -1.768 0.044 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -1.884 -3.431 0.612 1.00 0.00 H new ATOM 892 N MET A 62 -5.096 -0.077 2.825 1.00 0.00 N ATOM 893 CA MET A 62 -6.375 0.404 3.335 1.00 0.00 C ATOM 894 C MET A 62 -7.124 1.195 2.267 1.00 0.00 C ATOM 895 O MET A 62 -8.347 1.112 2.164 1.00 0.00 O ATOM 896 CB MET A 62 -6.158 1.276 4.574 1.00 0.00 C ATOM 897 CG MET A 62 -5.204 0.666 5.588 1.00 0.00 C ATOM 898 SD MET A 62 -4.521 1.889 6.722 1.00 0.00 S ATOM 899 CE MET A 62 -5.833 1.994 7.937 1.00 0.00 C ATOM 0 H MET A 62 -4.389 0.648 2.708 1.00 0.00 H new ATOM 0 HA MET A 62 -6.978 -0.462 3.609 1.00 0.00 H new ATOM 0 HB2 MET A 62 -5.772 2.246 4.262 1.00 0.00 H new ATOM 0 HB3 MET A 62 -7.120 1.456 5.055 1.00 0.00 H new ATOM 0 HG2 MET A 62 -5.728 -0.100 6.159 1.00 0.00 H new ATOM 0 HG3 MET A 62 -4.389 0.169 5.061 1.00 0.00 H new ATOM 0 HE1 MET A 62 -5.558 2.714 8.708 1.00 0.00 H new ATOM 0 HE2 MET A 62 -6.754 2.317 7.451 1.00 0.00 H new ATOM 0 HE3 MET A 62 -5.986 1.016 8.392 1.00 0.00 H new ATOM 909 N ASN A 63 -6.381 1.961 1.475 1.00 0.00 N ATOM 910 CA ASN A 63 -6.976 2.767 0.415 1.00 0.00 C ATOM 911 C ASN A 63 -6.179 2.637 -0.880 1.00 0.00 C ATOM 912 O ASN A 63 -5.142 3.279 -1.052 1.00 0.00 O ATOM 913 CB ASN A 63 -7.044 4.235 0.839 1.00 0.00 C ATOM 914 CG ASN A 63 -7.913 5.065 -0.085 1.00 0.00 C ATOM 915 OD1 ASN A 63 -7.415 5.731 -0.993 1.00 0.00 O ATOM 916 ND2 ASN A 63 -9.221 5.028 0.141 1.00 0.00 N ATOM 0 H ASN A 63 -5.367 2.041 1.547 1.00 0.00 H new ATOM 0 HA ASN A 63 -7.987 2.400 0.238 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -7.434 4.299 1.855 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -6.037 4.652 0.858 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -9.856 5.565 -0.449 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -9.591 4.462 0.905 1.00 0.00 H new ATOM 923 N LYS A 64 -6.670 1.802 -1.789 1.00 0.00 N ATOM 924 CA LYS A 64 -6.007 1.587 -3.070 1.00 0.00 C ATOM 925 C LYS A 64 -6.814 2.200 -4.210 1.00 0.00 C ATOM 926 O LYS A 64 -6.928 1.614 -5.287 1.00 0.00 O ATOM 927 CB LYS A 64 -5.806 0.091 -3.319 1.00 0.00 C ATOM 928 CG LYS A 64 -7.104 -0.671 -3.526 1.00 0.00 C ATOM 929 CD LYS A 64 -6.893 -1.911 -4.378 1.00 0.00 C ATOM 930 CE LYS A 64 -6.205 -3.017 -3.592 1.00 0.00 C ATOM 931 NZ LYS A 64 -7.130 -3.665 -2.621 1.00 0.00 N ATOM 0 H LYS A 64 -7.526 1.262 -1.662 1.00 0.00 H new ATOM 0 HA LYS A 64 -5.034 2.076 -3.034 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -5.173 -0.041 -4.197 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -5.272 -0.341 -2.473 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -7.516 -0.959 -2.559 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -7.837 -0.021 -4.004 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -7.855 -2.269 -4.746 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -6.292 -1.656 -5.251 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -5.819 -3.767 -4.282 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -5.349 -2.605 -3.058 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -6.633 -3.824 -1.721 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -7.951 -3.048 -2.458 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -7.453 -4.576 -3.004 1.00 0.00 H new ATOM 945 N ASP A 65 -7.370 3.382 -3.966 1.00 0.00 N ATOM 946 CA ASP A 65 -8.164 4.075 -4.974 1.00 0.00 C ATOM 947 C ASP A 65 -7.398 4.185 -6.289 1.00 0.00 C ATOM 948 O ASP A 65 -7.933 3.887 -7.357 1.00 0.00 O ATOM 949 CB ASP A 65 -8.553 5.468 -4.478 1.00 0.00 C ATOM 950 CG ASP A 65 -8.867 6.421 -5.614 1.00 0.00 C ATOM 951 OD1 ASP A 65 -9.424 5.965 -6.634 1.00 0.00 O ATOM 952 OD2 ASP A 65 -8.553 7.623 -5.485 1.00 0.00 O ATOM 0 H ASP A 65 -7.286 3.880 -3.080 1.00 0.00 H new ATOM 0 HA ASP A 65 -9.070 3.494 -5.150 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -9.422 5.388 -3.824 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -7.740 5.877 -3.879 1.00 0.00 H new ATOM 957 N ASP A 66 -6.144 4.615 -6.202 1.00 0.00 N ATOM 958 CA ASP A 66 -5.304 4.765 -7.385 1.00 0.00 C ATOM 959 C ASP A 66 -4.444 3.524 -7.601 1.00 0.00 C ATOM 960 O ASP A 66 -3.715 3.081 -6.713 1.00 0.00 O ATOM 961 CB ASP A 66 -4.414 6.001 -7.251 1.00 0.00 C ATOM 962 CG ASP A 66 -5.084 7.256 -7.775 1.00 0.00 C ATOM 963 OD1 ASP A 66 -6.050 7.723 -7.136 1.00 0.00 O ATOM 964 OD2 ASP A 66 -4.642 7.772 -8.823 1.00 0.00 O ATOM 0 H ASP A 66 -5.687 4.866 -5.325 1.00 0.00 H new ATOM 0 HA ASP A 66 -5.955 4.889 -8.250 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -4.151 6.144 -6.203 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -3.483 5.836 -7.794 1.00 0.00 H new ATOM 969 N PRO A 67 -4.530 2.946 -8.809 1.00 0.00 N ATOM 970 CA PRO A 67 -3.766 1.748 -9.169 1.00 0.00 C ATOM 971 C PRO A 67 -2.274 2.029 -9.302 1.00 0.00 C ATOM 972 O PRO A 67 -1.491 1.139 -9.634 1.00 0.00 O ATOM 973 CB PRO A 67 -4.357 1.345 -10.523 1.00 0.00 C ATOM 974 CG PRO A 67 -4.901 2.611 -11.090 1.00 0.00 C ATOM 975 CD PRO A 67 -5.378 3.419 -9.915 1.00 0.00 C ATOM 0 HA PRO A 67 -3.841 0.972 -8.407 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -3.597 0.914 -11.174 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -5.139 0.595 -10.406 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -4.135 3.149 -11.649 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -5.718 2.409 -11.782 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -5.255 4.488 -10.086 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -6.435 3.248 -9.712 1.00 0.00 H new ATOM 983 N ASP A 68 -1.885 3.272 -9.039 1.00 0.00 N ATOM 984 CA ASP A 68 -0.485 3.671 -9.127 1.00 0.00 C ATOM 985 C ASP A 68 0.174 3.648 -7.752 1.00 0.00 C ATOM 986 O ASP A 68 1.272 3.115 -7.588 1.00 0.00 O ATOM 987 CB ASP A 68 -0.368 5.067 -9.739 1.00 0.00 C ATOM 988 CG ASP A 68 -1.406 5.317 -10.815 1.00 0.00 C ATOM 989 OD1 ASP A 68 -2.567 5.617 -10.463 1.00 0.00 O ATOM 990 OD2 ASP A 68 -1.059 5.214 -12.010 1.00 0.00 O ATOM 0 H ASP A 68 -2.520 4.021 -8.763 1.00 0.00 H new ATOM 0 HA ASP A 68 0.031 2.957 -9.769 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -0.476 5.815 -8.953 1.00 0.00 H new ATOM 0 HB3 ASP A 68 0.628 5.192 -10.163 1.00 0.00 H new ATOM 995 N TRP A 69 -0.502 4.229 -6.768 1.00 0.00 N ATOM 996 CA TRP A 69 0.019 4.276 -5.406 1.00 0.00 C ATOM 997 C TRP A 69 -1.003 3.734 -4.413 1.00 0.00 C ATOM 998 O TRP A 69 -2.206 3.944 -4.570 1.00 0.00 O ATOM 999 CB TRP A 69 0.401 5.709 -5.034 1.00 0.00 C ATOM 1000 CG TRP A 69 1.772 6.098 -5.499 1.00 0.00 C ATOM 1001 CD1 TRP A 69 2.172 6.304 -6.788 1.00 0.00 C ATOM 1002 CD2 TRP A 69 2.922 6.327 -4.678 1.00 0.00 C ATOM 1003 NE1 TRP A 69 3.502 6.646 -6.819 1.00 0.00 N ATOM 1004 CE2 TRP A 69 3.985 6.668 -5.537 1.00 0.00 C ATOM 1005 CE3 TRP A 69 3.158 6.278 -3.302 1.00 0.00 C ATOM 1006 CZ2 TRP A 69 5.262 6.958 -5.063 1.00 0.00 C ATOM 1007 CZ3 TRP A 69 4.426 6.566 -2.832 1.00 0.00 C ATOM 1008 CH2 TRP A 69 5.464 6.902 -3.710 1.00 0.00 C ATOM 0 H TRP A 69 -1.412 4.674 -6.887 1.00 0.00 H new ATOM 0 HA TRP A 69 0.908 3.647 -5.362 1.00 0.00 H new ATOM 0 HB2 TRP A 69 -0.329 6.395 -5.464 1.00 0.00 H new ATOM 0 HB3 TRP A 69 0.346 5.823 -3.951 1.00 0.00 H new ATOM 0 HD1 TRP A 69 1.536 6.212 -7.656 1.00 0.00 H new ATOM 0 HE1 TRP A 69 4.042 6.850 -7.660 1.00 0.00 H new ATOM 0 HE3 TRP A 69 2.364 6.020 -2.617 1.00 0.00 H new ATOM 0 HZ2 TRP A 69 6.064 7.218 -5.738 1.00 0.00 H new ATOM 0 HZ3 TRP A 69 4.619 6.531 -1.770 1.00 0.00 H new ATOM 0 HH2 TRP A 69 6.444 7.121 -3.312 1.00 0.00 H new ATOM 1019 N TRP A 70 -0.518 3.038 -3.392 1.00 0.00 N ATOM 1020 CA TRP A 70 -1.392 2.467 -2.372 1.00 0.00 C ATOM 1021 C TRP A 70 -0.956 2.901 -0.977 1.00 0.00 C ATOM 1022 O TRP A 70 0.199 3.271 -0.766 1.00 0.00 O ATOM 1023 CB TRP A 70 -1.392 0.941 -2.469 1.00 0.00 C ATOM 1024 CG TRP A 70 -2.070 0.424 -3.702 1.00 0.00 C ATOM 1025 CD1 TRP A 70 -2.986 1.083 -4.471 1.00 0.00 C ATOM 1026 CD2 TRP A 70 -1.886 -0.862 -4.305 1.00 0.00 C ATOM 1027 NE1 TRP A 70 -3.382 0.284 -5.517 1.00 0.00 N ATOM 1028 CE2 TRP A 70 -2.722 -0.913 -5.438 1.00 0.00 C ATOM 1029 CE3 TRP A 70 -1.095 -1.973 -4.001 1.00 0.00 C ATOM 1030 CZ2 TRP A 70 -2.788 -2.032 -6.263 1.00 0.00 C ATOM 1031 CZ3 TRP A 70 -1.163 -3.083 -4.821 1.00 0.00 C ATOM 1032 CH2 TRP A 70 -2.004 -3.106 -5.942 1.00 0.00 C ATOM 0 H TRP A 70 0.475 2.855 -3.247 1.00 0.00 H new ATOM 0 HA TRP A 70 -2.403 2.835 -2.546 1.00 0.00 H new ATOM 0 HB2 TRP A 70 -0.363 0.583 -2.452 1.00 0.00 H new ATOM 0 HB3 TRP A 70 -1.888 0.528 -1.590 1.00 0.00 H new ATOM 0 HD1 TRP A 70 -3.346 2.084 -4.285 1.00 0.00 H new ATOM 0 HE1 TRP A 70 -4.058 0.541 -6.236 1.00 0.00 H new ATOM 0 HE3 TRP A 70 -0.442 -1.964 -3.141 1.00 0.00 H new ATOM 0 HZ2 TRP A 70 -3.436 -2.052 -7.127 1.00 0.00 H new ATOM 0 HZ3 TRP A 70 -0.558 -3.948 -4.594 1.00 0.00 H new ATOM 0 HH2 TRP A 70 -2.034 -3.988 -6.564 1.00 0.00 H new ATOM 1043 N GLN A 71 -1.886 2.851 -0.029 1.00 0.00 N ATOM 1044 CA GLN A 71 -1.596 3.240 1.346 1.00 0.00 C ATOM 1045 C GLN A 71 -1.691 2.040 2.282 1.00 0.00 C ATOM 1046 O GLN A 71 -2.717 1.364 2.339 1.00 0.00 O ATOM 1047 CB GLN A 71 -2.561 4.336 1.803 1.00 0.00 C ATOM 1048 CG GLN A 71 -2.250 4.881 3.187 1.00 0.00 C ATOM 1049 CD GLN A 71 -2.905 6.224 3.446 1.00 0.00 C ATOM 1050 OE1 GLN A 71 -3.493 6.824 2.546 1.00 0.00 O ATOM 1051 NE2 GLN A 71 -2.805 6.704 4.680 1.00 0.00 N ATOM 0 H GLN A 71 -2.846 2.545 -0.188 1.00 0.00 H new ATOM 0 HA GLN A 71 -0.577 3.626 1.381 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -2.534 5.155 1.084 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -3.577 3.940 1.797 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -2.586 4.166 3.939 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -1.170 4.980 3.300 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -2.308 6.173 5.395 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -3.225 7.604 4.913 1.00 0.00 H new ATOM 1060 N GLY A 72 -0.612 1.780 3.015 1.00 0.00 N ATOM 1061 CA GLY A 72 -0.595 0.661 3.939 1.00 0.00 C ATOM 1062 C GLY A 72 -0.112 1.057 5.320 1.00 0.00 C ATOM 1063 O GLY A 72 0.211 2.219 5.562 1.00 0.00 O ATOM 0 H GLY A 72 0.250 2.324 2.985 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -1.598 0.241 4.015 1.00 0.00 H new ATOM 0 HA3 GLY A 72 0.050 -0.123 3.543 1.00 0.00 H new ATOM 1067 N GLU A 73 -0.064 0.088 6.229 1.00 0.00 N ATOM 1068 CA GLU A 73 0.381 0.343 7.594 1.00 0.00 C ATOM 1069 C GLU A 73 1.450 -0.662 8.014 1.00 0.00 C ATOM 1070 O GLU A 73 1.372 -1.844 7.679 1.00 0.00 O ATOM 1071 CB GLU A 73 -0.804 0.278 8.560 1.00 0.00 C ATOM 1072 CG GLU A 73 -1.531 -1.057 8.544 1.00 0.00 C ATOM 1073 CD GLU A 73 -0.999 -2.023 9.584 1.00 0.00 C ATOM 1074 OE1 GLU A 73 -0.909 -1.633 10.767 1.00 0.00 O ATOM 1075 OE2 GLU A 73 -0.674 -3.171 9.215 1.00 0.00 O ATOM 0 H GLU A 73 -0.328 -0.880 6.045 1.00 0.00 H new ATOM 0 HA GLU A 73 0.814 1.343 7.628 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -0.449 0.476 9.571 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -1.510 1.070 8.309 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -2.594 -0.890 8.719 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -1.437 -1.506 7.555 1.00 0.00 H new ATOM 1082 N ILE A 74 2.447 -0.182 8.749 1.00 0.00 N ATOM 1083 CA ILE A 74 3.532 -1.037 9.216 1.00 0.00 C ATOM 1084 C ILE A 74 3.848 -0.773 10.684 1.00 0.00 C ATOM 1085 O ILE A 74 4.572 0.165 11.014 1.00 0.00 O ATOM 1086 CB ILE A 74 4.810 -0.830 8.382 1.00 0.00 C ATOM 1087 CG1 ILE A 74 4.500 -0.966 6.890 1.00 0.00 C ATOM 1088 CG2 ILE A 74 5.881 -1.828 8.798 1.00 0.00 C ATOM 1089 CD1 ILE A 74 5.614 -0.473 5.994 1.00 0.00 C ATOM 0 H ILE A 74 2.526 0.794 9.034 1.00 0.00 H new ATOM 0 HA ILE A 74 3.194 -2.067 9.100 1.00 0.00 H new ATOM 0 HB ILE A 74 5.186 0.176 8.566 1.00 0.00 H new ATOM 0 HG12 ILE A 74 4.299 -2.013 6.663 1.00 0.00 H new ATOM 0 HG13 ILE A 74 3.590 -0.410 6.664 1.00 0.00 H new ATOM 0 HG21 ILE A 74 6.778 -1.669 8.200 1.00 0.00 H new ATOM 0 HG22 ILE A 74 6.119 -1.688 9.853 1.00 0.00 H new ATOM 0 HG23 ILE A 74 5.514 -2.842 8.640 1.00 0.00 H new ATOM 0 HD11 ILE A 74 5.325 -0.600 4.951 1.00 0.00 H new ATOM 0 HD12 ILE A 74 5.801 0.582 6.193 1.00 0.00 H new ATOM 0 HD13 ILE A 74 6.520 -1.045 6.192 1.00 0.00 H new ATOM 1101 N ASN A 75 3.300 -1.607 11.561 1.00 0.00 N ATOM 1102 CA ASN A 75 3.524 -1.465 12.995 1.00 0.00 C ATOM 1103 C ASN A 75 2.912 -0.167 13.515 1.00 0.00 C ATOM 1104 O ASN A 75 3.558 0.590 14.239 1.00 0.00 O ATOM 1105 CB ASN A 75 5.022 -1.495 13.304 1.00 0.00 C ATOM 1106 CG ASN A 75 5.522 -2.895 13.606 1.00 0.00 C ATOM 1107 OD1 ASN A 75 5.093 -3.523 14.574 1.00 0.00 O ATOM 1108 ND2 ASN A 75 6.433 -3.389 12.776 1.00 0.00 N ATOM 0 H ASN A 75 2.697 -2.389 11.304 1.00 0.00 H new ATOM 0 HA ASN A 75 3.039 -2.302 13.498 1.00 0.00 H new ATOM 0 HB2 ASN A 75 5.573 -1.090 12.455 1.00 0.00 H new ATOM 0 HB3 ASN A 75 5.228 -0.847 14.156 1.00 0.00 H new ATOM 0 HD21 ASN A 75 6.807 -4.326 12.928 1.00 0.00 H new ATOM 0 HD22 ASN A 75 6.759 -2.832 11.986 1.00 0.00 H new ATOM 1115 N GLY A 76 1.661 0.083 13.140 1.00 0.00 N ATOM 1116 CA GLY A 76 0.983 1.289 13.578 1.00 0.00 C ATOM 1117 C GLY A 76 1.457 2.523 12.835 1.00 0.00 C ATOM 1118 O GLY A 76 1.062 3.643 13.161 1.00 0.00 O ATOM 0 H GLY A 76 1.105 -0.528 12.541 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -0.091 1.171 13.433 1.00 0.00 H new ATOM 0 HA3 GLY A 76 1.147 1.427 14.647 1.00 0.00 H new ATOM 1122 N VAL A 77 2.307 2.319 11.834 1.00 0.00 N ATOM 1123 CA VAL A 77 2.836 3.424 11.043 1.00 0.00 C ATOM 1124 C VAL A 77 2.176 3.482 9.670 1.00 0.00 C ATOM 1125 O VAL A 77 2.057 2.467 8.982 1.00 0.00 O ATOM 1126 CB VAL A 77 4.361 3.305 10.863 1.00 0.00 C ATOM 1127 CG1 VAL A 77 4.691 2.521 9.602 1.00 0.00 C ATOM 1128 CG2 VAL A 77 5.002 4.685 10.826 1.00 0.00 C ATOM 0 H VAL A 77 2.644 1.399 11.551 1.00 0.00 H new ATOM 0 HA VAL A 77 2.612 4.340 11.589 1.00 0.00 H new ATOM 0 HB VAL A 77 4.769 2.762 11.716 1.00 0.00 H new ATOM 0 HG11 VAL A 77 5.773 2.448 9.492 1.00 0.00 H new ATOM 0 HG12 VAL A 77 4.265 1.520 9.674 1.00 0.00 H new ATOM 0 HG13 VAL A 77 4.272 3.033 8.735 1.00 0.00 H new ATOM 0 HG21 VAL A 77 6.080 4.582 10.698 1.00 0.00 H new ATOM 0 HG22 VAL A 77 4.591 5.255 9.993 1.00 0.00 H new ATOM 0 HG23 VAL A 77 4.795 5.207 11.760 1.00 0.00 H new ATOM 1138 N THR A 78 1.749 4.677 9.275 1.00 0.00 N ATOM 1139 CA THR A 78 1.100 4.868 7.984 1.00 0.00 C ATOM 1140 C THR A 78 1.937 5.760 7.075 1.00 0.00 C ATOM 1141 O THR A 78 2.584 6.700 7.535 1.00 0.00 O ATOM 1142 CB THR A 78 -0.300 5.489 8.145 1.00 0.00 C ATOM 1143 OG1 THR A 78 -0.228 6.648 8.984 1.00 0.00 O ATOM 1144 CG2 THR A 78 -1.273 4.484 8.743 1.00 0.00 C ATOM 0 H THR A 78 1.841 5.527 9.831 1.00 0.00 H new ATOM 0 HA THR A 78 1.002 3.882 7.531 1.00 0.00 H new ATOM 0 HB THR A 78 -0.661 5.777 7.158 1.00 0.00 H new ATOM 0 HG1 THR A 78 -1.122 7.038 9.080 1.00 0.00 H new ATOM 0 HG21 THR A 78 -2.255 4.946 8.847 1.00 0.00 H new ATOM 0 HG22 THR A 78 -1.348 3.616 8.088 1.00 0.00 H new ATOM 0 HG23 THR A 78 -0.914 4.169 9.723 1.00 0.00 H new ATOM 1152 N GLY A 79 1.921 5.459 5.779 1.00 0.00 N ATOM 1153 CA GLY A 79 2.682 6.244 4.826 1.00 0.00 C ATOM 1154 C GLY A 79 2.179 6.079 3.406 1.00 0.00 C ATOM 1155 O GLY A 79 1.115 5.501 3.179 1.00 0.00 O ATOM 0 H GLY A 79 1.394 4.685 5.373 1.00 0.00 H new ATOM 0 HA2 GLY A 79 2.633 7.296 5.106 1.00 0.00 H new ATOM 0 HA3 GLY A 79 3.731 5.950 4.873 1.00 0.00 H new ATOM 1159 N LEU A 80 2.943 6.588 2.446 1.00 0.00 N ATOM 1160 CA LEU A 80 2.568 6.496 1.039 1.00 0.00 C ATOM 1161 C LEU A 80 3.611 5.712 0.248 1.00 0.00 C ATOM 1162 O LEU A 80 4.809 5.979 0.346 1.00 0.00 O ATOM 1163 CB LEU A 80 2.404 7.895 0.442 1.00 0.00 C ATOM 1164 CG LEU A 80 1.128 8.644 0.828 1.00 0.00 C ATOM 1165 CD1 LEU A 80 1.159 10.065 0.289 1.00 0.00 C ATOM 1166 CD2 LEU A 80 -0.100 7.904 0.318 1.00 0.00 C ATOM 0 H LEU A 80 3.826 7.069 2.616 1.00 0.00 H new ATOM 0 HA LEU A 80 1.617 5.967 0.975 1.00 0.00 H new ATOM 0 HB2 LEU A 80 3.261 8.499 0.742 1.00 0.00 H new ATOM 0 HB3 LEU A 80 2.438 7.811 -0.644 1.00 0.00 H new ATOM 0 HG LEU A 80 1.073 8.692 1.916 1.00 0.00 H new ATOM 0 HD11 LEU A 80 0.243 10.582 0.574 1.00 0.00 H new ATOM 0 HD12 LEU A 80 2.018 10.593 0.704 1.00 0.00 H new ATOM 0 HD13 LEU A 80 1.239 10.040 -0.798 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -0.999 8.452 0.602 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -0.052 7.824 -0.768 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -0.130 6.906 0.754 1.00 0.00 H new ATOM 1178 N PHE A 81 3.146 4.746 -0.537 1.00 0.00 N ATOM 1179 CA PHE A 81 4.038 3.924 -1.347 1.00 0.00 C ATOM 1180 C PHE A 81 3.347 3.472 -2.630 1.00 0.00 C ATOM 1181 O PHE A 81 2.122 3.368 -2.701 1.00 0.00 O ATOM 1182 CB PHE A 81 4.506 2.704 -0.550 1.00 0.00 C ATOM 1183 CG PHE A 81 3.380 1.913 0.050 1.00 0.00 C ATOM 1184 CD1 PHE A 81 2.440 1.296 -0.760 1.00 0.00 C ATOM 1185 CD2 PHE A 81 3.261 1.785 1.425 1.00 0.00 C ATOM 1186 CE1 PHE A 81 1.403 0.566 -0.210 1.00 0.00 C ATOM 1187 CE2 PHE A 81 2.226 1.056 1.980 1.00 0.00 C ATOM 1188 CZ PHE A 81 1.295 0.447 1.161 1.00 0.00 C ATOM 0 H PHE A 81 2.157 4.513 -0.630 1.00 0.00 H new ATOM 0 HA PHE A 81 4.904 4.529 -1.615 1.00 0.00 H new ATOM 0 HB2 PHE A 81 5.088 2.054 -1.204 1.00 0.00 H new ATOM 0 HB3 PHE A 81 5.173 3.034 0.247 1.00 0.00 H new ATOM 0 HD1 PHE A 81 2.519 1.387 -1.833 1.00 0.00 H new ATOM 0 HD2 PHE A 81 3.985 2.260 2.070 1.00 0.00 H new ATOM 0 HE1 PHE A 81 0.678 0.089 -0.853 1.00 0.00 H new ATOM 0 HE2 PHE A 81 2.145 0.963 3.053 1.00 0.00 H new ATOM 0 HZ PHE A 81 0.484 -0.121 1.593 1.00 0.00 H new ATOM 1198 N PRO A 82 4.149 3.198 -3.669 1.00 0.00 N ATOM 1199 CA PRO A 82 3.637 2.754 -4.969 1.00 0.00 C ATOM 1200 C PRO A 82 3.064 1.342 -4.914 1.00 0.00 C ATOM 1201 O PRO A 82 3.534 0.500 -4.148 1.00 0.00 O ATOM 1202 CB PRO A 82 4.874 2.793 -5.869 1.00 0.00 C ATOM 1203 CG PRO A 82 6.026 2.632 -4.939 1.00 0.00 C ATOM 1204 CD PRO A 82 5.618 3.301 -3.655 1.00 0.00 C ATOM 0 HA PRO A 82 2.817 3.381 -5.320 1.00 0.00 H new ATOM 0 HB2 PRO A 82 4.849 1.994 -6.610 1.00 0.00 H new ATOM 0 HB3 PRO A 82 4.936 3.734 -6.416 1.00 0.00 H new ATOM 0 HG2 PRO A 82 6.251 1.578 -4.776 1.00 0.00 H new ATOM 0 HG3 PRO A 82 6.926 3.090 -5.349 1.00 0.00 H new ATOM 0 HD2 PRO A 82 6.048 2.801 -2.787 1.00 0.00 H new ATOM 0 HD3 PRO A 82 5.948 4.339 -3.620 1.00 0.00 H new ATOM 1212 N SER A 83 2.046 1.089 -5.730 1.00 0.00 N ATOM 1213 CA SER A 83 1.406 -0.220 -5.771 1.00 0.00 C ATOM 1214 C SER A 83 2.234 -1.204 -6.592 1.00 0.00 C ATOM 1215 O SER A 83 1.779 -2.302 -6.910 1.00 0.00 O ATOM 1216 CB SER A 83 -0.002 -0.105 -6.360 1.00 0.00 C ATOM 1217 OG SER A 83 0.045 0.295 -7.719 1.00 0.00 O ATOM 0 H SER A 83 1.647 1.774 -6.372 1.00 0.00 H new ATOM 0 HA SER A 83 1.335 -0.595 -4.750 1.00 0.00 H new ATOM 0 HB2 SER A 83 -0.514 -1.064 -6.277 1.00 0.00 H new ATOM 0 HB3 SER A 83 -0.582 0.617 -5.785 1.00 0.00 H new ATOM 0 HG SER A 83 -0.865 0.465 -8.042 1.00 0.00 H new ATOM 1223 N ASN A 84 3.454 -0.801 -6.933 1.00 0.00 N ATOM 1224 CA ASN A 84 4.347 -1.645 -7.718 1.00 0.00 C ATOM 1225 C ASN A 84 5.466 -2.210 -6.848 1.00 0.00 C ATOM 1226 O ASN A 84 6.180 -3.126 -7.255 1.00 0.00 O ATOM 1227 CB ASN A 84 4.942 -0.851 -8.882 1.00 0.00 C ATOM 1228 CG ASN A 84 5.127 0.617 -8.545 1.00 0.00 C ATOM 1229 OD1 ASN A 84 6.172 1.021 -8.034 1.00 0.00 O ATOM 1230 ND2 ASN A 84 4.110 1.422 -8.831 1.00 0.00 N ATOM 0 H ASN A 84 3.847 0.105 -6.678 1.00 0.00 H new ATOM 0 HA ASN A 84 3.764 -2.476 -8.115 1.00 0.00 H new ATOM 0 HB2 ASN A 84 5.904 -1.282 -9.158 1.00 0.00 H new ATOM 0 HB3 ASN A 84 4.291 -0.942 -9.751 1.00 0.00 H new ATOM 0 HD21 ASN A 84 4.176 2.419 -8.627 1.00 0.00 H new ATOM 0 HD22 ASN A 84 3.263 1.043 -9.254 1.00 0.00 H new ATOM 1237 N TYR A 85 5.611 -1.658 -5.649 1.00 0.00 N ATOM 1238 CA TYR A 85 6.643 -2.105 -4.721 1.00 0.00 C ATOM 1239 C TYR A 85 6.089 -3.140 -3.747 1.00 0.00 C ATOM 1240 O TYR A 85 6.761 -3.533 -2.793 1.00 0.00 O ATOM 1241 CB TYR A 85 7.214 -0.915 -3.948 1.00 0.00 C ATOM 1242 CG TYR A 85 8.419 -0.284 -4.611 1.00 0.00 C ATOM 1243 CD1 TYR A 85 8.282 0.477 -5.765 1.00 0.00 C ATOM 1244 CD2 TYR A 85 9.693 -0.449 -4.081 1.00 0.00 C ATOM 1245 CE1 TYR A 85 9.380 1.054 -6.374 1.00 0.00 C ATOM 1246 CE2 TYR A 85 10.796 0.126 -4.682 1.00 0.00 C ATOM 1247 CZ TYR A 85 10.634 0.876 -5.828 1.00 0.00 C ATOM 1248 OH TYR A 85 11.730 1.450 -6.431 1.00 0.00 O ATOM 0 H TYR A 85 5.027 -0.900 -5.296 1.00 0.00 H new ATOM 0 HA TYR A 85 7.441 -2.569 -5.301 1.00 0.00 H new ATOM 0 HB2 TYR A 85 6.436 -0.160 -3.833 1.00 0.00 H new ATOM 0 HB3 TYR A 85 7.491 -1.242 -2.946 1.00 0.00 H new ATOM 0 HD1 TYR A 85 7.301 0.620 -6.193 1.00 0.00 H new ATOM 0 HD2 TYR A 85 9.823 -1.037 -3.184 1.00 0.00 H new ATOM 0 HE1 TYR A 85 9.257 1.641 -7.272 1.00 0.00 H new ATOM 0 HE2 TYR A 85 11.779 -0.011 -4.257 1.00 0.00 H new ATOM 0 HH TYR A 85 12.537 1.229 -5.921 1.00 0.00 H new ATOM 1258 N VAL A 86 4.859 -3.577 -3.994 1.00 0.00 N ATOM 1259 CA VAL A 86 4.214 -4.568 -3.141 1.00 0.00 C ATOM 1260 C VAL A 86 3.543 -5.656 -3.973 1.00 0.00 C ATOM 1261 O VAL A 86 3.186 -5.437 -5.130 1.00 0.00 O ATOM 1262 CB VAL A 86 3.162 -3.918 -2.223 1.00 0.00 C ATOM 1263 CG1 VAL A 86 3.805 -2.859 -1.340 1.00 0.00 C ATOM 1264 CG2 VAL A 86 2.031 -3.321 -3.048 1.00 0.00 C ATOM 0 H VAL A 86 4.289 -3.260 -4.778 1.00 0.00 H new ATOM 0 HA VAL A 86 4.996 -5.014 -2.527 1.00 0.00 H new ATOM 0 HB VAL A 86 2.742 -4.689 -1.577 1.00 0.00 H new ATOM 0 HG11 VAL A 86 3.046 -2.411 -0.698 1.00 0.00 H new ATOM 0 HG12 VAL A 86 4.576 -3.319 -0.723 1.00 0.00 H new ATOM 0 HG13 VAL A 86 4.253 -2.087 -1.965 1.00 0.00 H new ATOM 0 HG21 VAL A 86 1.297 -2.866 -2.383 1.00 0.00 H new ATOM 0 HG22 VAL A 86 2.432 -2.562 -3.720 1.00 0.00 H new ATOM 0 HG23 VAL A 86 1.553 -4.107 -3.633 1.00 0.00 H new ATOM 1274 N LYS A 87 3.375 -6.830 -3.374 1.00 0.00 N ATOM 1275 CA LYS A 87 2.745 -7.954 -4.057 1.00 0.00 C ATOM 1276 C LYS A 87 1.609 -8.533 -3.220 1.00 0.00 C ATOM 1277 O LYS A 87 1.806 -8.907 -2.065 1.00 0.00 O ATOM 1278 CB LYS A 87 3.780 -9.042 -4.353 1.00 0.00 C ATOM 1279 CG LYS A 87 4.465 -8.881 -5.699 1.00 0.00 C ATOM 1280 CD LYS A 87 5.770 -9.657 -5.758 1.00 0.00 C ATOM 1281 CE LYS A 87 5.544 -11.095 -6.199 1.00 0.00 C ATOM 1282 NZ LYS A 87 5.294 -11.997 -5.041 1.00 0.00 N ATOM 0 H LYS A 87 3.666 -7.028 -2.417 1.00 0.00 H new ATOM 0 HA LYS A 87 2.330 -7.589 -4.997 1.00 0.00 H new ATOM 0 HB2 LYS A 87 4.536 -9.036 -3.567 1.00 0.00 H new ATOM 0 HB3 LYS A 87 3.291 -10.016 -4.318 1.00 0.00 H new ATOM 0 HG2 LYS A 87 3.800 -9.226 -6.490 1.00 0.00 H new ATOM 0 HG3 LYS A 87 4.660 -7.825 -5.885 1.00 0.00 H new ATOM 0 HD2 LYS A 87 6.455 -9.167 -6.450 1.00 0.00 H new ATOM 0 HD3 LYS A 87 6.245 -9.647 -4.777 1.00 0.00 H new ATOM 0 HE2 LYS A 87 4.695 -11.136 -6.882 1.00 0.00 H new ATOM 0 HE3 LYS A 87 6.415 -11.447 -6.752 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 5.684 -12.940 -5.245 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 5.753 -11.608 -4.193 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 4.270 -12.074 -4.876 1.00 0.00 H new