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 -126:sc= -2.92 (180deg=-6.65!) USER MOD Set 1.2: A 41 TYR OH : rot 30:sc= -0.304 USER MOD Single : A 35 CYS SG : rot 41:sc= 0.444 USER MOD Single : A 36 GLN : amide:sc= -0.179 K(o=-0.18,f=-1.4) USER MOD Single : A 43 TYR OH : rot 165:sc= -0.127 USER MOD Single : A 52 SER OG : rot 37:sc= 0.557 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= -1.2 K(o=-1.2,f=-4.7!) USER MOD Single : A 60 ASN : amide:sc= -2.08 K(o=-2.1,f=-11!) USER MOD Single : A 62 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 63 ASN : amide:sc= -0.148 K(o=-0.15,f=-11!) USER MOD Single : A 64 LYS NZ :NH3+ -158:sc= 0.863 (180deg=0.594) USER MOD Single : A 71 GLN : amide:sc= 0 K(o=0,f=-0.75) USER MOD Single : A 75 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 83 SER OG : rot 165:sc= 0.397 USER MOD Single : A 84 ASN : amide:sc= -3.38! C(o=-3.4!,f=-4.2!) USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 87 LYS NZ :NH3+ -99:sc= -1.04 (180deg=-2.88!) USER MOD ----------------------------------------------------------------- ATOM 467 N VAL A 34 -8.430 -3.033 3.084 1.00 0.00 N ATOM 468 CA VAL A 34 -9.050 -3.690 1.941 1.00 0.00 C ATOM 469 C VAL A 34 -8.377 -5.025 1.642 1.00 0.00 C ATOM 470 O VAL A 34 -9.023 -5.971 1.190 1.00 0.00 O ATOM 471 CB VAL A 34 -8.989 -2.804 0.683 1.00 0.00 C ATOM 472 CG1 VAL A 34 -9.908 -1.601 0.832 1.00 0.00 C ATOM 473 CG2 VAL A 34 -7.559 -2.363 0.411 1.00 0.00 C ATOM 0 HA VAL A 34 -10.093 -3.863 2.204 1.00 0.00 H new ATOM 0 HB VAL A 34 -9.332 -3.390 -0.170 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -9.852 -0.987 -0.067 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -10.933 -1.942 0.975 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -9.598 -1.011 1.695 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -7.535 -1.738 -0.482 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -7.185 -1.795 1.263 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -6.931 -3.240 0.257 1.00 0.00 H new ATOM 483 N CYS A 35 -7.075 -5.094 1.897 1.00 0.00 N ATOM 484 CA CYS A 35 -6.312 -6.314 1.655 1.00 0.00 C ATOM 485 C CYS A 35 -4.946 -6.243 2.328 1.00 0.00 C ATOM 486 O CYS A 35 -4.573 -5.214 2.891 1.00 0.00 O ATOM 487 CB CYS A 35 -6.143 -6.545 0.153 1.00 0.00 C ATOM 488 SG CYS A 35 -7.463 -7.527 -0.597 1.00 0.00 S ATOM 0 H CYS A 35 -6.526 -4.320 2.271 1.00 0.00 H new ATOM 0 HA CYS A 35 -6.865 -7.150 2.084 1.00 0.00 H new ATOM 0 HB2 CYS A 35 -6.094 -5.579 -0.349 1.00 0.00 H new ATOM 0 HB3 CYS A 35 -5.190 -7.044 -0.022 1.00 0.00 H new ATOM 0 HG CYS A 35 -8.609 -7.160 -0.106 1.00 0.00 H new ATOM 494 N GLN A 36 -4.204 -7.345 2.268 1.00 0.00 N ATOM 495 CA GLN A 36 -2.879 -7.407 2.874 1.00 0.00 C ATOM 496 C GLN A 36 -1.821 -7.762 1.834 1.00 0.00 C ATOM 497 O GLN A 36 -1.914 -8.790 1.164 1.00 0.00 O ATOM 498 CB GLN A 36 -2.862 -8.435 4.007 1.00 0.00 C ATOM 499 CG GLN A 36 -1.725 -8.231 4.995 1.00 0.00 C ATOM 500 CD GLN A 36 -1.544 -9.413 5.927 1.00 0.00 C ATOM 501 OE1 GLN A 36 -2.139 -10.473 5.728 1.00 0.00 O ATOM 502 NE2 GLN A 36 -0.719 -9.238 6.953 1.00 0.00 N ATOM 0 H GLN A 36 -4.498 -8.206 1.806 1.00 0.00 H new ATOM 0 HA GLN A 36 -2.646 -6.423 3.281 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -3.810 -8.389 4.542 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -2.786 -9.434 3.579 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -0.799 -8.060 4.447 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -1.917 -7.334 5.584 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -0.246 -8.343 7.080 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -0.558 -9.998 7.613 1.00 0.00 H new ATOM 511 N VAL A 37 -0.815 -6.903 1.705 1.00 0.00 N ATOM 512 CA VAL A 37 0.262 -7.126 0.747 1.00 0.00 C ATOM 513 C VAL A 37 1.618 -7.152 1.442 1.00 0.00 C ATOM 514 O VAL A 37 1.711 -6.946 2.653 1.00 0.00 O ATOM 515 CB VAL A 37 0.277 -6.038 -0.344 1.00 0.00 C ATOM 516 CG1 VAL A 37 -1.091 -5.920 -0.999 1.00 0.00 C ATOM 517 CG2 VAL A 37 0.714 -4.704 0.241 1.00 0.00 C ATOM 0 H VAL A 37 -0.723 -6.047 2.251 1.00 0.00 H new ATOM 0 HA VAL A 37 0.077 -8.094 0.282 1.00 0.00 H new ATOM 0 HB VAL A 37 0.997 -6.326 -1.110 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -1.061 -5.147 -1.767 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -1.360 -6.873 -1.454 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -1.833 -5.655 -0.246 1.00 0.00 H new ATOM 0 HG21 VAL A 37 0.719 -3.947 -0.543 1.00 0.00 H new ATOM 0 HG22 VAL A 37 0.020 -4.407 1.028 1.00 0.00 H new ATOM 0 HG23 VAL A 37 1.716 -4.801 0.658 1.00 0.00 H new ATOM 527 N ILE A 38 2.668 -7.405 0.668 1.00 0.00 N ATOM 528 CA ILE A 38 4.021 -7.456 1.209 1.00 0.00 C ATOM 529 C ILE A 38 4.988 -6.652 0.348 1.00 0.00 C ATOM 530 O ILE A 38 4.784 -6.499 -0.856 1.00 0.00 O ATOM 531 CB ILE A 38 4.530 -8.906 1.316 1.00 0.00 C ATOM 532 CG1 ILE A 38 5.734 -8.979 2.258 1.00 0.00 C ATOM 533 CG2 ILE A 38 4.895 -9.442 -0.060 1.00 0.00 C ATOM 534 CD1 ILE A 38 5.897 -10.326 2.927 1.00 0.00 C ATOM 0 H ILE A 38 2.608 -7.578 -0.335 1.00 0.00 H new ATOM 0 HA ILE A 38 3.978 -7.020 2.207 1.00 0.00 H new ATOM 0 HB ILE A 38 3.733 -9.526 1.727 1.00 0.00 H new ATOM 0 HG12 ILE A 38 6.639 -8.750 1.696 1.00 0.00 H new ATOM 0 HG13 ILE A 38 5.632 -8.211 3.025 1.00 0.00 H new ATOM 0 HG21 ILE A 38 5.253 -10.467 0.032 1.00 0.00 H new ATOM 0 HG22 ILE A 38 4.016 -9.421 -0.704 1.00 0.00 H new ATOM 0 HG23 ILE A 38 5.678 -8.822 -0.496 1.00 0.00 H new ATOM 0 HD11 ILE A 38 6.770 -10.305 3.580 1.00 0.00 H new ATOM 0 HD12 ILE A 38 5.008 -10.549 3.517 1.00 0.00 H new ATOM 0 HD13 ILE A 38 6.031 -11.096 2.167 1.00 0.00 H new ATOM 546 N ALA A 39 6.044 -6.140 0.973 1.00 0.00 N ATOM 547 CA ALA A 39 7.045 -5.354 0.264 1.00 0.00 C ATOM 548 C ALA A 39 7.939 -6.247 -0.591 1.00 0.00 C ATOM 549 O ALA A 39 8.487 -7.237 -0.107 1.00 0.00 O ATOM 550 CB ALA A 39 7.883 -4.554 1.250 1.00 0.00 C ATOM 0 H ALA A 39 6.228 -6.256 1.970 1.00 0.00 H new ATOM 0 HA ALA A 39 6.526 -4.662 -0.399 1.00 0.00 H new ATOM 0 HB1 ALA A 39 8.627 -3.971 0.707 1.00 0.00 H new ATOM 0 HB2 ALA A 39 7.237 -3.882 1.815 1.00 0.00 H new ATOM 0 HB3 ALA A 39 8.386 -5.235 1.936 1.00 0.00 H new ATOM 556 N MET A 40 8.081 -5.890 -1.863 1.00 0.00 N ATOM 557 CA MET A 40 8.909 -6.659 -2.784 1.00 0.00 C ATOM 558 C MET A 40 10.361 -6.196 -2.727 1.00 0.00 C ATOM 559 O MET A 40 11.284 -6.991 -2.904 1.00 0.00 O ATOM 560 CB MET A 40 8.376 -6.529 -4.213 1.00 0.00 C ATOM 561 CG MET A 40 6.965 -7.068 -4.386 1.00 0.00 C ATOM 562 SD MET A 40 6.530 -7.331 -6.116 1.00 0.00 S ATOM 563 CE MET A 40 6.908 -5.723 -6.808 1.00 0.00 C ATOM 0 H MET A 40 7.634 -5.073 -2.279 1.00 0.00 H new ATOM 0 HA MET A 40 8.868 -7.706 -2.482 1.00 0.00 H new ATOM 0 HB2 MET A 40 8.393 -5.479 -4.505 1.00 0.00 H new ATOM 0 HB3 MET A 40 9.045 -7.059 -4.891 1.00 0.00 H new ATOM 0 HG2 MET A 40 6.871 -8.009 -3.844 1.00 0.00 H new ATOM 0 HG3 MET A 40 6.256 -6.371 -3.939 1.00 0.00 H new ATOM 0 HE1 MET A 40 6.035 -5.340 -7.336 1.00 0.00 H new ATOM 0 HE2 MET A 40 7.177 -5.036 -6.006 1.00 0.00 H new ATOM 0 HE3 MET A 40 7.742 -5.813 -7.504 1.00 0.00 H new ATOM 573 N TYR A 41 10.556 -4.905 -2.479 1.00 0.00 N ATOM 574 CA TYR A 41 11.896 -4.336 -2.401 1.00 0.00 C ATOM 575 C TYR A 41 12.021 -3.401 -1.202 1.00 0.00 C ATOM 576 O TYR A 41 11.032 -2.840 -0.731 1.00 0.00 O ATOM 577 CB TYR A 41 12.226 -3.579 -3.689 1.00 0.00 C ATOM 578 CG TYR A 41 11.625 -4.202 -4.929 1.00 0.00 C ATOM 579 CD1 TYR A 41 12.254 -5.260 -5.573 1.00 0.00 C ATOM 580 CD2 TYR A 41 10.428 -3.732 -5.455 1.00 0.00 C ATOM 581 CE1 TYR A 41 11.708 -5.831 -6.707 1.00 0.00 C ATOM 582 CE2 TYR A 41 9.875 -4.298 -6.587 1.00 0.00 C ATOM 583 CZ TYR A 41 10.519 -5.347 -7.210 1.00 0.00 C ATOM 584 OH TYR A 41 9.971 -5.914 -8.338 1.00 0.00 O ATOM 0 H TYR A 41 9.803 -4.233 -2.329 1.00 0.00 H new ATOM 0 HA TYR A 41 12.605 -5.154 -2.276 1.00 0.00 H new ATOM 0 HB2 TYR A 41 11.869 -2.553 -3.599 1.00 0.00 H new ATOM 0 HB3 TYR A 41 13.309 -3.531 -3.805 1.00 0.00 H new ATOM 0 HD1 TYR A 41 13.185 -5.643 -5.181 1.00 0.00 H new ATOM 0 HD2 TYR A 41 9.921 -2.910 -4.971 1.00 0.00 H new ATOM 0 HE1 TYR A 41 12.210 -6.652 -7.197 1.00 0.00 H new ATOM 0 HE2 TYR A 41 8.943 -3.921 -6.982 1.00 0.00 H new ATOM 0 HH TYR A 41 10.221 -6.861 -8.383 1.00 0.00 H new ATOM 594 N ASP A 42 13.246 -3.238 -0.714 1.00 0.00 N ATOM 595 CA ASP A 42 13.504 -2.371 0.430 1.00 0.00 C ATOM 596 C ASP A 42 13.180 -0.918 0.094 1.00 0.00 C ATOM 597 O ASP A 42 13.974 -0.226 -0.544 1.00 0.00 O ATOM 598 CB ASP A 42 14.964 -2.492 0.870 1.00 0.00 C ATOM 599 CG ASP A 42 15.918 -2.577 -0.305 1.00 0.00 C ATOM 600 OD1 ASP A 42 15.998 -3.657 -0.927 1.00 0.00 O ATOM 601 OD2 ASP A 42 16.585 -1.564 -0.602 1.00 0.00 O ATOM 0 H ASP A 42 14.076 -3.695 -1.093 1.00 0.00 H new ATOM 0 HA ASP A 42 12.858 -2.689 1.249 1.00 0.00 H new ATOM 0 HB2 ASP A 42 15.227 -1.632 1.486 1.00 0.00 H new ATOM 0 HB3 ASP A 42 15.080 -3.379 1.493 1.00 0.00 H new ATOM 606 N TYR A 43 12.009 -0.463 0.525 1.00 0.00 N ATOM 607 CA TYR A 43 11.579 0.905 0.267 1.00 0.00 C ATOM 608 C TYR A 43 12.056 1.844 1.371 1.00 0.00 C ATOM 609 O TYR A 43 11.863 1.574 2.556 1.00 0.00 O ATOM 610 CB TYR A 43 10.055 0.970 0.151 1.00 0.00 C ATOM 611 CG TYR A 43 9.557 2.169 -0.623 1.00 0.00 C ATOM 612 CD1 TYR A 43 9.703 3.456 -0.119 1.00 0.00 C ATOM 613 CD2 TYR A 43 8.939 2.017 -1.858 1.00 0.00 C ATOM 614 CE1 TYR A 43 9.249 4.555 -0.822 1.00 0.00 C ATOM 615 CE2 TYR A 43 8.483 3.110 -2.569 1.00 0.00 C ATOM 616 CZ TYR A 43 8.640 4.377 -2.047 1.00 0.00 C ATOM 617 OH TYR A 43 8.186 5.468 -2.751 1.00 0.00 O ATOM 0 H TYR A 43 11.341 -1.022 1.055 1.00 0.00 H new ATOM 0 HA TYR A 43 12.023 1.226 -0.675 1.00 0.00 H new ATOM 0 HB2 TYR A 43 9.697 0.061 -0.333 1.00 0.00 H new ATOM 0 HB3 TYR A 43 9.623 0.989 1.152 1.00 0.00 H new ATOM 0 HD1 TYR A 43 10.180 3.599 0.839 1.00 0.00 H new ATOM 0 HD2 TYR A 43 8.813 1.026 -2.270 1.00 0.00 H new ATOM 0 HE1 TYR A 43 9.370 5.548 -0.415 1.00 0.00 H new ATOM 0 HE2 TYR A 43 8.006 2.973 -3.528 1.00 0.00 H new ATOM 0 HH TYR A 43 8.005 5.207 -3.678 1.00 0.00 H new ATOM 627 N ALA A 44 12.679 2.948 0.972 1.00 0.00 N ATOM 628 CA ALA A 44 13.181 3.929 1.926 1.00 0.00 C ATOM 629 C ALA A 44 12.510 5.284 1.726 1.00 0.00 C ATOM 630 O ALA A 44 12.828 6.011 0.785 1.00 0.00 O ATOM 631 CB ALA A 44 14.692 4.062 1.800 1.00 0.00 C ATOM 0 H ALA A 44 12.848 3.185 -0.005 1.00 0.00 H new ATOM 0 HA ALA A 44 12.940 3.579 2.930 1.00 0.00 H new ATOM 0 HB1 ALA A 44 15.054 4.798 2.518 1.00 0.00 H new ATOM 0 HB2 ALA A 44 15.160 3.098 2.001 1.00 0.00 H new ATOM 0 HB3 ALA A 44 14.946 4.385 0.790 1.00 0.00 H new ATOM 637 N ALA A 45 11.581 5.616 2.615 1.00 0.00 N ATOM 638 CA ALA A 45 10.866 6.884 2.536 1.00 0.00 C ATOM 639 C ALA A 45 11.817 8.062 2.713 1.00 0.00 C ATOM 640 O ALA A 45 12.359 8.277 3.797 1.00 0.00 O ATOM 641 CB ALA A 45 9.761 6.933 3.581 1.00 0.00 C ATOM 0 H ALA A 45 11.305 5.025 3.399 1.00 0.00 H new ATOM 0 HA ALA A 45 10.417 6.959 1.545 1.00 0.00 H new ATOM 0 HB1 ALA A 45 9.236 7.885 3.510 1.00 0.00 H new ATOM 0 HB2 ALA A 45 9.059 6.117 3.407 1.00 0.00 H new ATOM 0 HB3 ALA A 45 10.196 6.831 4.575 1.00 0.00 H new ATOM 702 N GLU A 50 6.489 9.741 2.994 1.00 0.00 N ATOM 703 CA GLU A 50 6.555 8.386 2.461 1.00 0.00 C ATOM 704 C GLU A 50 6.727 7.367 3.584 1.00 0.00 C ATOM 705 O GLU A 50 7.028 7.727 4.723 1.00 0.00 O ATOM 706 CB GLU A 50 7.709 8.261 1.464 1.00 0.00 C ATOM 707 CG GLU A 50 7.481 9.026 0.171 1.00 0.00 C ATOM 708 CD GLU A 50 8.653 8.919 -0.785 1.00 0.00 C ATOM 709 OE1 GLU A 50 9.452 7.970 -0.638 1.00 0.00 O ATOM 710 OE2 GLU A 50 8.772 9.783 -1.678 1.00 0.00 O ATOM 0 HA GLU A 50 5.616 8.180 1.947 1.00 0.00 H new ATOM 0 HB2 GLU A 50 8.624 8.622 1.933 1.00 0.00 H new ATOM 0 HB3 GLU A 50 7.864 7.208 1.231 1.00 0.00 H new ATOM 0 HG2 GLU A 50 6.583 8.647 -0.317 1.00 0.00 H new ATOM 0 HG3 GLU A 50 7.300 10.076 0.402 1.00 0.00 H new ATOM 717 N LEU A 51 6.533 6.095 3.256 1.00 0.00 N ATOM 718 CA LEU A 51 6.666 5.023 4.236 1.00 0.00 C ATOM 719 C LEU A 51 7.968 4.255 4.031 1.00 0.00 C ATOM 720 O LEU A 51 8.245 3.764 2.937 1.00 0.00 O ATOM 721 CB LEU A 51 5.476 4.066 4.139 1.00 0.00 C ATOM 722 CG LEU A 51 5.037 3.406 5.447 1.00 0.00 C ATOM 723 CD1 LEU A 51 3.900 2.428 5.196 1.00 0.00 C ATOM 724 CD2 LEU A 51 6.212 2.702 6.110 1.00 0.00 C ATOM 0 H LEU A 51 6.283 5.780 2.319 1.00 0.00 H new ATOM 0 HA LEU A 51 6.684 5.473 5.229 1.00 0.00 H new ATOM 0 HB2 LEU A 51 4.627 4.614 3.729 1.00 0.00 H new ATOM 0 HB3 LEU A 51 5.724 3.281 3.425 1.00 0.00 H new ATOM 0 HG LEU A 51 4.678 4.184 6.121 1.00 0.00 H new ATOM 0 HD11 LEU A 51 3.601 1.968 6.138 1.00 0.00 H new ATOM 0 HD12 LEU A 51 3.051 2.960 4.766 1.00 0.00 H new ATOM 0 HD13 LEU A 51 4.232 1.654 4.504 1.00 0.00 H new ATOM 0 HD21 LEU A 51 5.881 2.238 7.039 1.00 0.00 H new ATOM 0 HD22 LEU A 51 6.602 1.935 5.440 1.00 0.00 H new ATOM 0 HD23 LEU A 51 6.996 3.428 6.326 1.00 0.00 H new ATOM 736 N SER A 52 8.763 4.155 5.091 1.00 0.00 N ATOM 737 CA SER A 52 10.037 3.448 5.027 1.00 0.00 C ATOM 738 C SER A 52 9.889 2.014 5.527 1.00 0.00 C ATOM 739 O SER A 52 9.607 1.780 6.702 1.00 0.00 O ATOM 740 CB SER A 52 11.094 4.182 5.855 1.00 0.00 C ATOM 741 OG SER A 52 10.699 4.283 7.212 1.00 0.00 O ATOM 0 H SER A 52 8.548 4.554 6.005 1.00 0.00 H new ATOM 0 HA SER A 52 10.356 3.420 3.985 1.00 0.00 H new ATOM 0 HB2 SER A 52 12.045 3.653 5.788 1.00 0.00 H new ATOM 0 HB3 SER A 52 11.254 5.179 5.444 1.00 0.00 H new ATOM 0 HG SER A 52 10.234 3.463 7.479 1.00 0.00 H new ATOM 747 N PHE A 53 10.081 1.057 4.625 1.00 0.00 N ATOM 748 CA PHE A 53 9.968 -0.354 4.972 1.00 0.00 C ATOM 749 C PHE A 53 11.006 -1.184 4.222 1.00 0.00 C ATOM 750 O PHE A 53 11.643 -0.701 3.286 1.00 0.00 O ATOM 751 CB PHE A 53 8.562 -0.868 4.655 1.00 0.00 C ATOM 752 CG PHE A 53 8.115 -0.565 3.254 1.00 0.00 C ATOM 753 CD1 PHE A 53 7.552 0.662 2.942 1.00 0.00 C ATOM 754 CD2 PHE A 53 8.256 -1.508 2.248 1.00 0.00 C ATOM 755 CE1 PHE A 53 7.140 0.944 1.654 1.00 0.00 C ATOM 756 CE2 PHE A 53 7.846 -1.231 0.958 1.00 0.00 C ATOM 757 CZ PHE A 53 7.286 -0.004 0.660 1.00 0.00 C ATOM 0 H PHE A 53 10.316 1.234 3.648 1.00 0.00 H new ATOM 0 HA PHE A 53 10.152 -0.455 6.042 1.00 0.00 H new ATOM 0 HB2 PHE A 53 8.534 -1.946 4.812 1.00 0.00 H new ATOM 0 HB3 PHE A 53 7.855 -0.426 5.357 1.00 0.00 H new ATOM 0 HD1 PHE A 53 7.434 1.407 3.715 1.00 0.00 H new ATOM 0 HD2 PHE A 53 8.691 -2.470 2.475 1.00 0.00 H new ATOM 0 HE1 PHE A 53 6.704 1.905 1.424 1.00 0.00 H new ATOM 0 HE2 PHE A 53 7.963 -1.974 0.183 1.00 0.00 H new ATOM 0 HZ PHE A 53 6.963 0.214 -0.347 1.00 0.00 H new ATOM 767 N SER A 54 11.171 -2.434 4.641 1.00 0.00 N ATOM 768 CA SER A 54 12.134 -3.331 4.013 1.00 0.00 C ATOM 769 C SER A 54 11.433 -4.542 3.406 1.00 0.00 C ATOM 770 O SER A 54 10.407 -4.998 3.911 1.00 0.00 O ATOM 771 CB SER A 54 13.177 -3.789 5.034 1.00 0.00 C ATOM 772 OG SER A 54 13.927 -2.691 5.525 1.00 0.00 O ATOM 0 H SER A 54 10.650 -2.849 5.413 1.00 0.00 H new ATOM 0 HA SER A 54 12.634 -2.785 3.213 1.00 0.00 H new ATOM 0 HB2 SER A 54 12.681 -4.295 5.863 1.00 0.00 H new ATOM 0 HB3 SER A 54 13.847 -4.514 4.573 1.00 0.00 H new ATOM 0 HG SER A 54 14.585 -3.010 6.177 1.00 0.00 H new ATOM 778 N LYS A 55 11.996 -5.060 2.319 1.00 0.00 N ATOM 779 CA LYS A 55 11.428 -6.220 1.642 1.00 0.00 C ATOM 780 C LYS A 55 10.885 -7.227 2.651 1.00 0.00 C ATOM 781 O LYS A 55 11.621 -7.725 3.502 1.00 0.00 O ATOM 782 CB LYS A 55 12.483 -6.886 0.756 1.00 0.00 C ATOM 783 CG LYS A 55 12.050 -8.232 0.202 1.00 0.00 C ATOM 784 CD LYS A 55 13.060 -8.776 -0.794 1.00 0.00 C ATOM 785 CE LYS A 55 12.842 -10.259 -1.056 1.00 0.00 C ATOM 786 NZ LYS A 55 11.566 -10.512 -1.781 1.00 0.00 N ATOM 0 H LYS A 55 12.845 -4.695 1.888 1.00 0.00 H new ATOM 0 HA LYS A 55 10.603 -5.878 1.018 1.00 0.00 H new ATOM 0 HB2 LYS A 55 12.721 -6.221 -0.074 1.00 0.00 H new ATOM 0 HB3 LYS A 55 13.399 -7.017 1.332 1.00 0.00 H new ATOM 0 HG2 LYS A 55 11.927 -8.941 1.021 1.00 0.00 H new ATOM 0 HG3 LYS A 55 11.078 -8.132 -0.282 1.00 0.00 H new ATOM 0 HD2 LYS A 55 12.982 -8.225 -1.731 1.00 0.00 H new ATOM 0 HD3 LYS A 55 14.069 -8.617 -0.414 1.00 0.00 H new ATOM 0 HE2 LYS A 55 13.675 -10.651 -1.639 1.00 0.00 H new ATOM 0 HE3 LYS A 55 12.835 -10.798 -0.109 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 11.454 -11.534 -1.941 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 10.769 -10.161 -1.213 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 11.583 -10.019 -2.696 1.00 0.00 H new ATOM 800 N GLY A 56 9.593 -7.524 2.548 1.00 0.00 N ATOM 801 CA GLY A 56 8.975 -8.472 3.456 1.00 0.00 C ATOM 802 C GLY A 56 8.396 -7.802 4.687 1.00 0.00 C ATOM 803 O GLY A 56 8.339 -8.404 5.759 1.00 0.00 O ATOM 0 H GLY A 56 8.963 -7.125 1.852 1.00 0.00 H new ATOM 0 HA2 GLY A 56 8.184 -9.009 2.933 1.00 0.00 H new ATOM 0 HA3 GLY A 56 9.714 -9.212 3.763 1.00 0.00 H new ATOM 807 N GLN A 57 7.966 -6.554 4.532 1.00 0.00 N ATOM 808 CA GLN A 57 7.391 -5.802 5.641 1.00 0.00 C ATOM 809 C GLN A 57 5.880 -6.001 5.708 1.00 0.00 C ATOM 810 O GLN A 57 5.244 -6.347 4.711 1.00 0.00 O ATOM 811 CB GLN A 57 7.716 -4.314 5.499 1.00 0.00 C ATOM 812 CG GLN A 57 7.812 -3.583 6.828 1.00 0.00 C ATOM 813 CD GLN A 57 8.977 -4.058 7.673 1.00 0.00 C ATOM 814 OE1 GLN A 57 9.582 -5.093 7.391 1.00 0.00 O ATOM 815 NE2 GLN A 57 9.299 -3.303 8.716 1.00 0.00 N ATOM 0 H GLN A 57 8.005 -6.043 3.650 1.00 0.00 H new ATOM 0 HA GLN A 57 7.830 -6.175 6.566 1.00 0.00 H new ATOM 0 HB2 GLN A 57 8.660 -4.206 4.965 1.00 0.00 H new ATOM 0 HB3 GLN A 57 6.948 -3.840 4.887 1.00 0.00 H new ATOM 0 HG2 GLN A 57 7.914 -2.514 6.643 1.00 0.00 H new ATOM 0 HG3 GLN A 57 6.885 -3.723 7.383 1.00 0.00 H new ATOM 0 HE21 GLN A 57 8.771 -2.453 8.913 1.00 0.00 H new ATOM 0 HE22 GLN A 57 10.075 -3.573 9.321 1.00 0.00 H new ATOM 824 N LEU A 58 5.311 -5.781 6.888 1.00 0.00 N ATOM 825 CA LEU A 58 3.874 -5.937 7.085 1.00 0.00 C ATOM 826 C LEU A 58 3.122 -4.696 6.613 1.00 0.00 C ATOM 827 O LEU A 58 3.118 -3.667 7.288 1.00 0.00 O ATOM 828 CB LEU A 58 3.568 -6.202 8.560 1.00 0.00 C ATOM 829 CG LEU A 58 2.208 -5.714 9.061 1.00 0.00 C ATOM 830 CD1 LEU A 58 1.090 -6.257 8.186 1.00 0.00 C ATOM 831 CD2 LEU A 58 1.997 -6.121 10.513 1.00 0.00 C ATOM 0 H LEU A 58 5.822 -5.494 7.723 1.00 0.00 H new ATOM 0 HA LEU A 58 3.541 -6.789 6.492 1.00 0.00 H new ATOM 0 HB2 LEU A 58 3.634 -7.275 8.737 1.00 0.00 H new ATOM 0 HB3 LEU A 58 4.345 -5.731 9.162 1.00 0.00 H new ATOM 0 HG LEU A 58 2.190 -4.626 9.003 1.00 0.00 H new ATOM 0 HD11 LEU A 58 0.130 -5.899 8.558 1.00 0.00 H new ATOM 0 HD12 LEU A 58 1.232 -5.915 7.161 1.00 0.00 H new ATOM 0 HD13 LEU A 58 1.105 -7.347 8.211 1.00 0.00 H new ATOM 0 HD21 LEU A 58 1.024 -5.765 10.853 1.00 0.00 H new ATOM 0 HD22 LEU A 58 2.035 -7.207 10.596 1.00 0.00 H new ATOM 0 HD23 LEU A 58 2.780 -5.682 11.131 1.00 0.00 H new ATOM 843 N ILE A 59 2.487 -4.803 5.451 1.00 0.00 N ATOM 844 CA ILE A 59 1.730 -3.691 4.890 1.00 0.00 C ATOM 845 C ILE A 59 0.280 -4.088 4.632 1.00 0.00 C ATOM 846 O ILE A 59 0.008 -5.128 4.034 1.00 0.00 O ATOM 847 CB ILE A 59 2.355 -3.190 3.575 1.00 0.00 C ATOM 848 CG1 ILE A 59 3.755 -2.628 3.832 1.00 0.00 C ATOM 849 CG2 ILE A 59 1.465 -2.136 2.933 1.00 0.00 C ATOM 850 CD1 ILE A 59 4.590 -2.491 2.578 1.00 0.00 C ATOM 0 H ILE A 59 2.482 -5.648 4.880 1.00 0.00 H new ATOM 0 HA ILE A 59 1.759 -2.887 5.625 1.00 0.00 H new ATOM 0 HB ILE A 59 2.442 -4.031 2.888 1.00 0.00 H new ATOM 0 HG12 ILE A 59 3.664 -1.651 4.307 1.00 0.00 H new ATOM 0 HG13 ILE A 59 4.275 -3.278 4.536 1.00 0.00 H new ATOM 0 HG21 ILE A 59 1.920 -1.792 2.004 1.00 0.00 H new ATOM 0 HG22 ILE A 59 0.487 -2.567 2.719 1.00 0.00 H new ATOM 0 HG23 ILE A 59 1.349 -1.293 3.615 1.00 0.00 H new ATOM 0 HD11 ILE A 59 5.569 -2.087 2.835 1.00 0.00 H new ATOM 0 HD12 ILE A 59 4.712 -3.469 2.113 1.00 0.00 H new ATOM 0 HD13 ILE A 59 4.091 -1.818 1.881 1.00 0.00 H new ATOM 862 N ASN A 60 -0.647 -3.251 5.086 1.00 0.00 N ATOM 863 CA ASN A 60 -2.070 -3.514 4.903 1.00 0.00 C ATOM 864 C ASN A 60 -2.734 -2.388 4.117 1.00 0.00 C ATOM 865 O ASN A 60 -3.031 -1.326 4.663 1.00 0.00 O ATOM 866 CB ASN A 60 -2.758 -3.679 6.259 1.00 0.00 C ATOM 867 CG ASN A 60 -2.329 -4.946 6.975 1.00 0.00 C ATOM 868 OD1 ASN A 60 -1.261 -5.495 6.701 1.00 0.00 O ATOM 869 ND2 ASN A 60 -3.161 -5.415 7.897 1.00 0.00 N ATOM 0 H ASN A 60 -0.439 -2.385 5.583 1.00 0.00 H new ATOM 0 HA ASN A 60 -2.173 -4.439 4.336 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -2.531 -2.816 6.886 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -3.838 -3.694 6.116 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -2.926 -6.264 8.412 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -4.035 -4.927 8.091 1.00 0.00 H new ATOM 876 N VAL A 61 -2.967 -2.629 2.830 1.00 0.00 N ATOM 877 CA VAL A 61 -3.598 -1.636 1.968 1.00 0.00 C ATOM 878 C VAL A 61 -4.975 -1.247 2.495 1.00 0.00 C ATOM 879 O VAL A 61 -5.827 -2.104 2.724 1.00 0.00 O ATOM 880 CB VAL A 61 -3.740 -2.155 0.525 1.00 0.00 C ATOM 881 CG1 VAL A 61 -4.362 -1.091 -0.366 1.00 0.00 C ATOM 882 CG2 VAL A 61 -2.389 -2.595 -0.018 1.00 0.00 C ATOM 0 H VAL A 61 -2.728 -3.503 2.362 1.00 0.00 H new ATOM 0 HA VAL A 61 -2.951 -0.759 1.968 1.00 0.00 H new ATOM 0 HB VAL A 61 -4.402 -3.021 0.532 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -4.454 -1.476 -1.382 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -5.349 -0.830 0.014 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -3.728 -0.204 -0.370 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -2.508 -2.959 -1.039 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -1.702 -1.749 -0.012 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -1.988 -3.393 0.607 1.00 0.00 H new ATOM 892 N MET A 62 -5.184 0.051 2.685 1.00 0.00 N ATOM 893 CA MET A 62 -6.459 0.555 3.183 1.00 0.00 C ATOM 894 C MET A 62 -7.237 1.258 2.075 1.00 0.00 C ATOM 895 O MET A 62 -8.463 1.176 2.017 1.00 0.00 O ATOM 896 CB MET A 62 -6.231 1.516 4.351 1.00 0.00 C ATOM 897 CG MET A 62 -5.279 0.976 5.406 1.00 0.00 C ATOM 898 SD MET A 62 -6.128 0.053 6.701 1.00 0.00 S ATOM 899 CE MET A 62 -5.626 0.969 8.155 1.00 0.00 C ATOM 0 H MET A 62 -4.487 0.773 2.502 1.00 0.00 H new ATOM 0 HA MET A 62 -7.046 -0.295 3.531 1.00 0.00 H new ATOM 0 HB2 MET A 62 -5.837 2.456 3.965 1.00 0.00 H new ATOM 0 HB3 MET A 62 -7.190 1.740 4.819 1.00 0.00 H new ATOM 0 HG2 MET A 62 -4.542 0.330 4.928 1.00 0.00 H new ATOM 0 HG3 MET A 62 -4.732 1.805 5.855 1.00 0.00 H new ATOM 0 HE1 MET A 62 -6.072 0.518 9.041 1.00 0.00 H new ATOM 0 HE2 MET A 62 -4.540 0.945 8.243 1.00 0.00 H new ATOM 0 HE3 MET A 62 -5.960 2.003 8.067 1.00 0.00 H new ATOM 909 N ASN A 63 -6.515 1.948 1.198 1.00 0.00 N ATOM 910 CA ASN A 63 -7.139 2.666 0.092 1.00 0.00 C ATOM 911 C ASN A 63 -6.313 2.524 -1.183 1.00 0.00 C ATOM 912 O ASN A 63 -5.249 3.128 -1.318 1.00 0.00 O ATOM 913 CB ASN A 63 -7.302 4.146 0.445 1.00 0.00 C ATOM 914 CG ASN A 63 -8.153 4.890 -0.565 1.00 0.00 C ATOM 915 OD1 ASN A 63 -7.934 4.791 -1.772 1.00 0.00 O ATOM 916 ND2 ASN A 63 -9.131 5.642 -0.073 1.00 0.00 N ATOM 0 H ASN A 63 -5.498 2.025 1.231 1.00 0.00 H new ATOM 0 HA ASN A 63 -8.123 2.230 -0.083 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -7.755 4.234 1.433 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -6.319 4.614 0.503 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -9.737 6.167 -0.703 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -9.276 5.694 0.935 1.00 0.00 H new ATOM 923 N LYS A 64 -6.811 1.720 -2.117 1.00 0.00 N ATOM 924 CA LYS A 64 -6.122 1.498 -3.383 1.00 0.00 C ATOM 925 C LYS A 64 -6.877 2.155 -4.535 1.00 0.00 C ATOM 926 O LYS A 64 -6.862 1.658 -5.661 1.00 0.00 O ATOM 927 CB LYS A 64 -5.969 -0.001 -3.648 1.00 0.00 C ATOM 928 CG LYS A 64 -7.287 -0.711 -3.906 1.00 0.00 C ATOM 929 CD LYS A 64 -7.107 -1.899 -4.836 1.00 0.00 C ATOM 930 CE LYS A 64 -6.251 -2.982 -4.198 1.00 0.00 C ATOM 931 NZ LYS A 64 -5.484 -3.754 -5.215 1.00 0.00 N ATOM 0 H LYS A 64 -7.690 1.211 -2.021 1.00 0.00 H new ATOM 0 HA LYS A 64 -5.133 1.951 -3.315 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -5.314 -0.144 -4.508 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -5.478 -0.464 -2.792 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -7.711 -1.049 -2.960 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -7.999 -0.011 -4.342 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -8.083 -2.310 -5.095 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -6.644 -1.568 -5.765 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -5.559 -2.527 -3.489 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -6.888 -3.661 -3.631 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -5.220 -4.680 -4.822 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -6.072 -3.892 -6.062 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -4.624 -3.230 -5.473 1.00 0.00 H new ATOM 945 N ASP A 65 -7.534 3.272 -4.245 1.00 0.00 N ATOM 946 CA ASP A 65 -8.292 3.998 -5.258 1.00 0.00 C ATOM 947 C ASP A 65 -7.455 4.207 -6.516 1.00 0.00 C ATOM 948 O ASP A 65 -7.945 4.044 -7.634 1.00 0.00 O ATOM 949 CB ASP A 65 -8.756 5.348 -4.708 1.00 0.00 C ATOM 950 CG ASP A 65 -10.115 5.265 -4.043 1.00 0.00 C ATOM 951 OD1 ASP A 65 -10.330 4.328 -3.246 1.00 0.00 O ATOM 952 OD2 ASP A 65 -10.966 6.137 -4.320 1.00 0.00 O ATOM 0 H ASP A 65 -7.557 3.695 -3.317 1.00 0.00 H new ATOM 0 HA ASP A 65 -9.166 3.402 -5.520 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -8.024 5.715 -3.988 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -8.796 6.074 -5.520 1.00 0.00 H new ATOM 957 N ASP A 66 -6.192 4.571 -6.327 1.00 0.00 N ATOM 958 CA ASP A 66 -5.287 4.803 -7.447 1.00 0.00 C ATOM 959 C ASP A 66 -4.375 3.600 -7.666 1.00 0.00 C ATOM 960 O ASP A 66 -3.640 3.176 -6.774 1.00 0.00 O ATOM 961 CB ASP A 66 -4.447 6.058 -7.200 1.00 0.00 C ATOM 962 CG ASP A 66 -5.243 7.334 -7.391 1.00 0.00 C ATOM 963 OD1 ASP A 66 -6.228 7.535 -6.650 1.00 0.00 O ATOM 964 OD2 ASP A 66 -4.881 8.131 -8.282 1.00 0.00 O ATOM 0 H ASP A 66 -5.771 4.712 -5.409 1.00 0.00 H new ATOM 0 HA ASP A 66 -5.888 4.949 -8.344 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -4.048 6.031 -6.186 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -3.594 6.060 -7.879 1.00 0.00 H new ATOM 969 N PRO A 67 -4.421 3.036 -8.882 1.00 0.00 N ATOM 970 CA PRO A 67 -3.606 1.874 -9.248 1.00 0.00 C ATOM 971 C PRO A 67 -2.124 2.217 -9.356 1.00 0.00 C ATOM 972 O PRO A 67 -1.306 1.369 -9.713 1.00 0.00 O ATOM 973 CB PRO A 67 -4.162 1.466 -10.614 1.00 0.00 C ATOM 974 CG PRO A 67 -4.750 2.716 -11.172 1.00 0.00 C ATOM 975 CD PRO A 67 -5.274 3.489 -9.994 1.00 0.00 C ATOM 0 HA PRO A 67 -3.661 1.085 -8.498 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -3.376 1.075 -11.261 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -4.914 0.683 -10.518 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -4.000 3.292 -11.714 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -5.550 2.490 -11.877 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -5.192 4.565 -10.151 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -6.326 3.273 -9.807 1.00 0.00 H new ATOM 983 N ASP A 68 -1.786 3.463 -9.047 1.00 0.00 N ATOM 984 CA ASP A 68 -0.402 3.918 -9.108 1.00 0.00 C ATOM 985 C ASP A 68 0.252 3.857 -7.731 1.00 0.00 C ATOM 986 O ASP A 68 1.370 3.365 -7.585 1.00 0.00 O ATOM 987 CB ASP A 68 -0.334 5.344 -9.656 1.00 0.00 C ATOM 988 CG ASP A 68 -1.447 5.638 -10.643 1.00 0.00 C ATOM 989 OD1 ASP A 68 -1.424 5.064 -11.751 1.00 0.00 O ATOM 990 OD2 ASP A 68 -2.341 6.444 -10.307 1.00 0.00 O ATOM 0 H ASP A 68 -2.452 4.177 -8.751 1.00 0.00 H new ATOM 0 HA ASP A 68 0.143 3.254 -9.779 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -0.390 6.051 -8.829 1.00 0.00 H new ATOM 0 HB3 ASP A 68 0.629 5.498 -10.142 1.00 0.00 H new ATOM 995 N TRP A 69 -0.453 4.363 -6.725 1.00 0.00 N ATOM 996 CA TRP A 69 0.059 4.367 -5.360 1.00 0.00 C ATOM 997 C TRP A 69 -0.989 3.846 -4.383 1.00 0.00 C ATOM 998 O TRP A 69 -2.184 4.086 -4.555 1.00 0.00 O ATOM 999 CB TRP A 69 0.490 5.779 -4.959 1.00 0.00 C ATOM 1000 CG TRP A 69 1.874 6.131 -5.416 1.00 0.00 C ATOM 1001 CD1 TRP A 69 2.288 6.321 -6.703 1.00 0.00 C ATOM 1002 CD2 TRP A 69 3.024 6.331 -4.588 1.00 0.00 C ATOM 1003 NE1 TRP A 69 3.627 6.628 -6.725 1.00 0.00 N ATOM 1004 CE2 TRP A 69 4.102 6.641 -5.441 1.00 0.00 C ATOM 1005 CE3 TRP A 69 3.249 6.282 -3.210 1.00 0.00 C ATOM 1006 CZ2 TRP A 69 5.382 6.898 -4.958 1.00 0.00 C ATOM 1007 CZ3 TRP A 69 4.520 6.537 -2.732 1.00 0.00 C ATOM 1008 CH2 TRP A 69 5.573 6.843 -3.604 1.00 0.00 C ATOM 0 H TRP A 69 -1.380 4.775 -6.829 1.00 0.00 H new ATOM 0 HA TRP A 69 0.924 3.705 -5.322 1.00 0.00 H new ATOM 0 HB2 TRP A 69 -0.216 6.498 -5.375 1.00 0.00 H new ATOM 0 HB3 TRP A 69 0.439 5.872 -3.874 1.00 0.00 H new ATOM 0 HD1 TRP A 69 1.656 6.242 -7.575 1.00 0.00 H new ATOM 0 HE1 TRP A 69 4.178 6.816 -7.563 1.00 0.00 H new ATOM 0 HE3 TRP A 69 2.443 6.049 -2.530 1.00 0.00 H new ATOM 0 HZ2 TRP A 69 6.196 7.133 -5.628 1.00 0.00 H new ATOM 0 HZ3 TRP A 69 4.705 6.500 -1.669 1.00 0.00 H new ATOM 0 HH2 TRP A 69 6.555 7.039 -3.200 1.00 0.00 H new ATOM 1019 N TRP A 70 -0.534 3.133 -3.359 1.00 0.00 N ATOM 1020 CA TRP A 70 -1.435 2.578 -2.355 1.00 0.00 C ATOM 1021 C TRP A 70 -1.034 3.030 -0.955 1.00 0.00 C ATOM 1022 O TRP A 70 0.096 3.466 -0.735 1.00 0.00 O ATOM 1023 CB TRP A 70 -1.437 1.050 -2.430 1.00 0.00 C ATOM 1024 CG TRP A 70 -2.098 0.517 -3.665 1.00 0.00 C ATOM 1025 CD1 TRP A 70 -2.967 1.183 -4.481 1.00 0.00 C ATOM 1026 CD2 TRP A 70 -1.945 -0.793 -4.221 1.00 0.00 C ATOM 1027 NE1 TRP A 70 -3.364 0.365 -5.512 1.00 0.00 N ATOM 1028 CE2 TRP A 70 -2.750 -0.852 -5.375 1.00 0.00 C ATOM 1029 CE3 TRP A 70 -1.205 -1.922 -3.857 1.00 0.00 C ATOM 1030 CZ2 TRP A 70 -2.835 -1.996 -6.165 1.00 0.00 C ATOM 1031 CZ3 TRP A 70 -1.291 -3.056 -4.642 1.00 0.00 C ATOM 1032 CH2 TRP A 70 -2.100 -3.086 -5.786 1.00 0.00 C ATOM 0 H TRP A 70 0.452 2.926 -3.202 1.00 0.00 H new ATOM 0 HA TRP A 70 -2.440 2.946 -2.562 1.00 0.00 H new ATOM 0 HB2 TRP A 70 -0.409 0.690 -2.393 1.00 0.00 H new ATOM 0 HB3 TRP A 70 -1.946 0.651 -1.553 1.00 0.00 H new ATOM 0 HD1 TRP A 70 -3.294 2.202 -4.338 1.00 0.00 H new ATOM 0 HE1 TRP A 70 -4.011 0.622 -6.258 1.00 0.00 H new ATOM 0 HE3 TRP A 70 -0.577 -1.908 -2.978 1.00 0.00 H new ATOM 0 HZ2 TRP A 70 -3.459 -2.022 -7.046 1.00 0.00 H new ATOM 0 HZ3 TRP A 70 -0.725 -3.934 -4.369 1.00 0.00 H new ATOM 0 HH2 TRP A 70 -2.144 -3.987 -6.380 1.00 0.00 H new ATOM 1043 N GLN A 71 -1.966 2.923 -0.014 1.00 0.00 N ATOM 1044 CA GLN A 71 -1.708 3.322 1.365 1.00 0.00 C ATOM 1045 C GLN A 71 -1.838 2.132 2.309 1.00 0.00 C ATOM 1046 O GLN A 71 -2.842 1.421 2.294 1.00 0.00 O ATOM 1047 CB GLN A 71 -2.674 4.431 1.787 1.00 0.00 C ATOM 1048 CG GLN A 71 -2.435 4.942 3.198 1.00 0.00 C ATOM 1049 CD GLN A 71 -3.362 6.082 3.571 1.00 0.00 C ATOM 1050 OE1 GLN A 71 -4.392 6.295 2.931 1.00 0.00 O ATOM 1051 NE2 GLN A 71 -3.000 6.824 4.612 1.00 0.00 N ATOM 0 H GLN A 71 -2.906 2.564 -0.181 1.00 0.00 H new ATOM 0 HA GLN A 71 -0.687 3.698 1.423 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -2.586 5.263 1.088 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -3.696 4.059 1.713 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -2.570 4.123 3.905 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -1.401 5.275 3.289 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -2.138 6.612 5.114 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -3.584 7.606 4.909 1.00 0.00 H new ATOM 1060 N GLY A 72 -0.814 1.920 3.131 1.00 0.00 N ATOM 1061 CA GLY A 72 -0.834 0.815 4.071 1.00 0.00 C ATOM 1062 C GLY A 72 -0.233 1.183 5.413 1.00 0.00 C ATOM 1063 O GLY A 72 0.305 2.278 5.579 1.00 0.00 O ATOM 0 H GLY A 72 0.029 2.494 3.162 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -1.862 0.484 4.216 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -0.285 -0.027 3.649 1.00 0.00 H new ATOM 1067 N GLU A 73 -0.326 0.268 6.373 1.00 0.00 N ATOM 1068 CA GLU A 73 0.211 0.505 7.707 1.00 0.00 C ATOM 1069 C GLU A 73 1.285 -0.522 8.052 1.00 0.00 C ATOM 1070 O GLU A 73 1.171 -1.697 7.700 1.00 0.00 O ATOM 1071 CB GLU A 73 -0.909 0.457 8.748 1.00 0.00 C ATOM 1072 CG GLU A 73 -1.508 -0.927 8.934 1.00 0.00 C ATOM 1073 CD GLU A 73 -2.385 -1.023 10.167 1.00 0.00 C ATOM 1074 OE1 GLU A 73 -3.422 -0.329 10.214 1.00 0.00 O ATOM 1075 OE2 GLU A 73 -2.034 -1.793 11.085 1.00 0.00 O ATOM 0 H GLU A 73 -0.768 -0.643 6.251 1.00 0.00 H new ATOM 0 HA GLU A 73 0.664 1.496 7.717 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -0.520 0.807 9.704 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -1.698 1.149 8.453 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -2.096 -1.185 8.053 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -0.704 -1.660 9.007 1.00 0.00 H new ATOM 1082 N ILE A 74 2.327 -0.071 8.742 1.00 0.00 N ATOM 1083 CA ILE A 74 3.421 -0.951 9.135 1.00 0.00 C ATOM 1084 C ILE A 74 3.822 -0.715 10.587 1.00 0.00 C ATOM 1085 O ILE A 74 4.499 0.262 10.904 1.00 0.00 O ATOM 1086 CB ILE A 74 4.655 -0.751 8.235 1.00 0.00 C ATOM 1087 CG1 ILE A 74 4.250 -0.798 6.760 1.00 0.00 C ATOM 1088 CG2 ILE A 74 5.706 -1.809 8.535 1.00 0.00 C ATOM 1089 CD1 ILE A 74 5.361 -0.397 5.815 1.00 0.00 C ATOM 0 H ILE A 74 2.437 0.898 9.040 1.00 0.00 H new ATOM 0 HA ILE A 74 3.060 -1.973 9.022 1.00 0.00 H new ATOM 0 HB ILE A 74 5.084 0.229 8.444 1.00 0.00 H new ATOM 0 HG12 ILE A 74 3.921 -1.808 6.514 1.00 0.00 H new ATOM 0 HG13 ILE A 74 3.396 -0.138 6.605 1.00 0.00 H new ATOM 0 HG21 ILE A 74 6.572 -1.655 7.891 1.00 0.00 H new ATOM 0 HG22 ILE A 74 6.012 -1.733 9.579 1.00 0.00 H new ATOM 0 HG23 ILE A 74 5.289 -2.799 8.351 1.00 0.00 H new ATOM 0 HD11 ILE A 74 5.003 -0.454 4.787 1.00 0.00 H new ATOM 0 HD12 ILE A 74 5.674 0.624 6.034 1.00 0.00 H new ATOM 0 HD13 ILE A 74 6.208 -1.072 5.942 1.00 0.00 H new ATOM 1101 N ASN A 75 3.401 -1.619 11.466 1.00 0.00 N ATOM 1102 CA ASN A 75 3.717 -1.510 12.885 1.00 0.00 C ATOM 1103 C ASN A 75 3.080 -0.263 13.491 1.00 0.00 C ATOM 1104 O ASN A 75 3.747 0.527 14.156 1.00 0.00 O ATOM 1105 CB ASN A 75 5.233 -1.472 13.090 1.00 0.00 C ATOM 1106 CG ASN A 75 5.825 -2.855 13.279 1.00 0.00 C ATOM 1107 OD1 ASN A 75 6.180 -3.244 14.392 1.00 0.00 O ATOM 1108 ND2 ASN A 75 5.936 -3.605 12.189 1.00 0.00 N ATOM 0 H ASN A 75 2.840 -2.435 11.220 1.00 0.00 H new ATOM 0 HA ASN A 75 3.310 -2.386 13.390 1.00 0.00 H new ATOM 0 HB2 ASN A 75 5.701 -0.994 12.230 1.00 0.00 H new ATOM 0 HB3 ASN A 75 5.464 -0.859 13.961 1.00 0.00 H new ATOM 0 HD21 ASN A 75 6.328 -4.544 12.254 1.00 0.00 H new ATOM 0 HD22 ASN A 75 5.629 -3.242 11.287 1.00 0.00 H new ATOM 1115 N GLY A 76 1.782 -0.094 13.255 1.00 0.00 N ATOM 1116 CA GLY A 76 1.075 1.057 13.784 1.00 0.00 C ATOM 1117 C GLY A 76 1.463 2.346 13.086 1.00 0.00 C ATOM 1118 O GLY A 76 1.032 3.429 13.482 1.00 0.00 O ATOM 0 H GLY A 76 1.208 -0.734 12.707 1.00 0.00 H new ATOM 0 HA2 GLY A 76 0.001 0.900 13.680 1.00 0.00 H new ATOM 0 HA3 GLY A 76 1.282 1.148 14.850 1.00 0.00 H new ATOM 1122 N VAL A 77 2.281 2.230 12.044 1.00 0.00 N ATOM 1123 CA VAL A 77 2.728 3.395 11.290 1.00 0.00 C ATOM 1124 C VAL A 77 2.017 3.484 9.944 1.00 0.00 C ATOM 1125 O VAL A 77 1.646 2.467 9.357 1.00 0.00 O ATOM 1126 CB VAL A 77 4.249 3.361 11.054 1.00 0.00 C ATOM 1127 CG1 VAL A 77 4.571 2.656 9.745 1.00 0.00 C ATOM 1128 CG2 VAL A 77 4.821 4.771 11.064 1.00 0.00 C ATOM 0 H VAL A 77 2.647 1.341 11.703 1.00 0.00 H new ATOM 0 HA VAL A 77 2.481 4.273 11.887 1.00 0.00 H new ATOM 0 HB VAL A 77 4.712 2.799 11.865 1.00 0.00 H new ATOM 0 HG11 VAL A 77 5.651 2.642 9.595 1.00 0.00 H new ATOM 0 HG12 VAL A 77 4.196 1.633 9.781 1.00 0.00 H new ATOM 0 HG13 VAL A 77 4.097 3.187 8.920 1.00 0.00 H new ATOM 0 HG21 VAL A 77 5.897 4.728 10.896 1.00 0.00 H new ATOM 0 HG22 VAL A 77 4.353 5.359 10.274 1.00 0.00 H new ATOM 0 HG23 VAL A 77 4.623 5.237 12.029 1.00 0.00 H new ATOM 1138 N THR A 78 1.831 4.708 9.459 1.00 0.00 N ATOM 1139 CA THR A 78 1.165 4.930 8.182 1.00 0.00 C ATOM 1140 C THR A 78 1.999 5.827 7.275 1.00 0.00 C ATOM 1141 O THR A 78 2.716 6.709 7.747 1.00 0.00 O ATOM 1142 CB THR A 78 -0.225 5.566 8.377 1.00 0.00 C ATOM 1143 OG1 THR A 78 -0.105 6.790 9.109 1.00 0.00 O ATOM 1144 CG2 THR A 78 -1.156 4.617 9.115 1.00 0.00 C ATOM 0 H THR A 78 2.132 5.560 9.932 1.00 0.00 H new ATOM 0 HA THR A 78 1.047 3.953 7.713 1.00 0.00 H new ATOM 0 HB THR A 78 -0.647 5.771 7.393 1.00 0.00 H new ATOM 0 HG1 THR A 78 -0.992 7.189 9.227 1.00 0.00 H new ATOM 0 HG21 THR A 78 -2.131 5.088 9.241 1.00 0.00 H new ATOM 0 HG22 THR A 78 -1.269 3.698 8.540 1.00 0.00 H new ATOM 0 HG23 THR A 78 -0.737 4.384 10.094 1.00 0.00 H new ATOM 1152 N GLY A 79 1.900 5.597 5.969 1.00 0.00 N ATOM 1153 CA GLY A 79 2.651 6.394 5.017 1.00 0.00 C ATOM 1154 C GLY A 79 2.129 6.250 3.601 1.00 0.00 C ATOM 1155 O GLY A 79 0.964 5.907 3.393 1.00 0.00 O ATOM 0 H GLY A 79 1.313 4.873 5.554 1.00 0.00 H new ATOM 0 HA2 GLY A 79 2.608 7.442 5.312 1.00 0.00 H new ATOM 0 HA3 GLY A 79 3.699 6.097 5.046 1.00 0.00 H new ATOM 1159 N LEU A 80 2.990 6.515 2.625 1.00 0.00 N ATOM 1160 CA LEU A 80 2.608 6.415 1.220 1.00 0.00 C ATOM 1161 C LEU A 80 3.644 5.624 0.429 1.00 0.00 C ATOM 1162 O LEU A 80 4.849 5.816 0.598 1.00 0.00 O ATOM 1163 CB LEU A 80 2.445 7.811 0.615 1.00 0.00 C ATOM 1164 CG LEU A 80 1.165 8.559 0.989 1.00 0.00 C ATOM 1165 CD1 LEU A 80 1.261 10.020 0.576 1.00 0.00 C ATOM 1166 CD2 LEU A 80 -0.046 7.899 0.347 1.00 0.00 C ATOM 0 H LEU A 80 3.957 6.801 2.780 1.00 0.00 H new ATOM 0 HA LEU A 80 1.656 5.888 1.165 1.00 0.00 H new ATOM 0 HB2 LEU A 80 3.298 8.418 0.917 1.00 0.00 H new ATOM 0 HB3 LEU A 80 2.486 7.722 -0.471 1.00 0.00 H new ATOM 0 HG LEU A 80 1.045 8.516 2.071 1.00 0.00 H new ATOM 0 HD11 LEU A 80 0.341 10.537 0.850 1.00 0.00 H new ATOM 0 HD12 LEU A 80 2.105 10.487 1.084 1.00 0.00 H new ATOM 0 HD13 LEU A 80 1.406 10.084 -0.502 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -0.948 8.445 0.624 1.00 0.00 H new ATOM 0 HD22 LEU A 80 0.066 7.910 -0.737 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -0.125 6.868 0.693 1.00 0.00 H new ATOM 1178 N PHE A 81 3.168 4.734 -0.436 1.00 0.00 N ATOM 1179 CA PHE A 81 4.053 3.914 -1.254 1.00 0.00 C ATOM 1180 C PHE A 81 3.359 3.484 -2.543 1.00 0.00 C ATOM 1181 O PHE A 81 2.133 3.398 -2.619 1.00 0.00 O ATOM 1182 CB PHE A 81 4.510 2.681 -0.471 1.00 0.00 C ATOM 1183 CG PHE A 81 3.376 1.894 0.122 1.00 0.00 C ATOM 1184 CD1 PHE A 81 2.432 1.293 -0.693 1.00 0.00 C ATOM 1185 CD2 PHE A 81 3.256 1.757 1.496 1.00 0.00 C ATOM 1186 CE1 PHE A 81 1.387 0.568 -0.150 1.00 0.00 C ATOM 1187 CE2 PHE A 81 2.214 1.033 2.044 1.00 0.00 C ATOM 1188 CZ PHE A 81 1.278 0.438 1.220 1.00 0.00 C ATOM 0 H PHE A 81 2.174 4.563 -0.588 1.00 0.00 H new ATOM 0 HA PHE A 81 4.925 4.514 -1.514 1.00 0.00 H new ATOM 0 HB2 PHE A 81 5.085 2.033 -1.132 1.00 0.00 H new ATOM 0 HB3 PHE A 81 5.181 2.996 0.329 1.00 0.00 H new ATOM 0 HD1 PHE A 81 2.513 1.391 -1.765 1.00 0.00 H new ATOM 0 HD2 PHE A 81 3.984 2.221 2.145 1.00 0.00 H new ATOM 0 HE1 PHE A 81 0.657 0.104 -0.797 1.00 0.00 H new ATOM 0 HE2 PHE A 81 2.131 0.932 3.116 1.00 0.00 H new ATOM 0 HZ PHE A 81 0.463 -0.128 1.647 1.00 0.00 H new ATOM 1198 N PRO A 82 4.160 3.206 -3.582 1.00 0.00 N ATOM 1199 CA PRO A 82 3.645 2.780 -4.887 1.00 0.00 C ATOM 1200 C PRO A 82 3.050 1.377 -4.845 1.00 0.00 C ATOM 1201 O PRO A 82 3.519 0.515 -4.101 1.00 0.00 O ATOM 1202 CB PRO A 82 4.885 2.808 -5.784 1.00 0.00 C ATOM 1203 CG PRO A 82 6.032 2.622 -4.851 1.00 0.00 C ATOM 1204 CD PRO A 82 5.630 3.286 -3.563 1.00 0.00 C ATOM 0 HA PRO A 82 2.836 3.422 -5.235 1.00 0.00 H new ATOM 0 HB2 PRO A 82 4.851 2.016 -6.532 1.00 0.00 H new ATOM 0 HB3 PRO A 82 4.962 3.752 -6.323 1.00 0.00 H new ATOM 0 HG2 PRO A 82 6.241 1.564 -4.696 1.00 0.00 H new ATOM 0 HG3 PRO A 82 6.940 3.070 -5.254 1.00 0.00 H new ATOM 0 HD2 PRO A 82 6.049 2.772 -2.698 1.00 0.00 H new ATOM 0 HD3 PRO A 82 5.976 4.319 -3.518 1.00 0.00 H new ATOM 1212 N SER A 83 2.016 1.153 -5.649 1.00 0.00 N ATOM 1213 CA SER A 83 1.354 -0.145 -5.701 1.00 0.00 C ATOM 1214 C SER A 83 2.162 -1.133 -6.538 1.00 0.00 C ATOM 1215 O SER A 83 1.691 -2.224 -6.856 1.00 0.00 O ATOM 1216 CB SER A 83 -0.054 -0.001 -6.281 1.00 0.00 C ATOM 1217 OG SER A 83 -0.015 0.555 -7.584 1.00 0.00 O ATOM 0 H SER A 83 1.618 1.854 -6.274 1.00 0.00 H new ATOM 0 HA SER A 83 1.282 -0.530 -4.684 1.00 0.00 H new ATOM 0 HB2 SER A 83 -0.539 -0.977 -6.313 1.00 0.00 H new ATOM 0 HB3 SER A 83 -0.656 0.633 -5.630 1.00 0.00 H new ATOM 0 HG SER A 83 -0.880 0.420 -8.023 1.00 0.00 H new ATOM 1223 N ASN A 84 3.382 -0.741 -6.891 1.00 0.00 N ATOM 1224 CA ASN A 84 4.256 -1.591 -7.691 1.00 0.00 C ATOM 1225 C ASN A 84 5.384 -2.165 -6.839 1.00 0.00 C ATOM 1226 O ASN A 84 6.130 -3.037 -7.285 1.00 0.00 O ATOM 1227 CB ASN A 84 4.840 -0.798 -8.862 1.00 0.00 C ATOM 1228 CG ASN A 84 5.008 0.674 -8.538 1.00 0.00 C ATOM 1229 OD1 ASN A 84 4.036 1.429 -8.504 1.00 0.00 O ATOM 1230 ND2 ASN A 84 6.247 1.088 -8.297 1.00 0.00 N ATOM 0 H ASN A 84 3.788 0.159 -6.636 1.00 0.00 H new ATOM 0 HA ASN A 84 3.661 -2.417 -8.081 1.00 0.00 H new ATOM 0 HB2 ASN A 84 5.807 -1.219 -9.136 1.00 0.00 H new ATOM 0 HB3 ASN A 84 4.189 -0.904 -9.730 1.00 0.00 H new ATOM 0 HD21 ASN A 84 6.423 2.067 -8.073 1.00 0.00 H new ATOM 0 HD22 ASN A 84 7.022 0.427 -8.336 1.00 0.00 H new ATOM 1237 N TYR A 85 5.502 -1.671 -5.612 1.00 0.00 N ATOM 1238 CA TYR A 85 6.540 -2.134 -4.698 1.00 0.00 C ATOM 1239 C TYR A 85 5.979 -3.148 -3.706 1.00 0.00 C ATOM 1240 O TYR A 85 6.659 -3.553 -2.763 1.00 0.00 O ATOM 1241 CB TYR A 85 7.150 -0.950 -3.945 1.00 0.00 C ATOM 1242 CG TYR A 85 8.319 -0.314 -4.663 1.00 0.00 C ATOM 1243 CD1 TYR A 85 8.141 0.348 -5.871 1.00 0.00 C ATOM 1244 CD2 TYR A 85 9.602 -0.375 -4.131 1.00 0.00 C ATOM 1245 CE1 TYR A 85 9.207 0.930 -6.530 1.00 0.00 C ATOM 1246 CE2 TYR A 85 10.673 0.205 -4.783 1.00 0.00 C ATOM 1247 CZ TYR A 85 10.470 0.856 -5.982 1.00 0.00 C ATOM 1248 OH TYR A 85 11.534 1.436 -6.635 1.00 0.00 O ATOM 0 H TYR A 85 4.892 -0.950 -5.227 1.00 0.00 H new ATOM 0 HA TYR A 85 7.317 -2.621 -5.287 1.00 0.00 H new ATOM 0 HB2 TYR A 85 6.379 -0.196 -3.784 1.00 0.00 H new ATOM 0 HB3 TYR A 85 7.478 -1.286 -2.961 1.00 0.00 H new ATOM 0 HD1 TYR A 85 7.153 0.409 -6.302 1.00 0.00 H new ATOM 0 HD2 TYR A 85 9.764 -0.884 -3.192 1.00 0.00 H new ATOM 0 HE1 TYR A 85 9.052 1.440 -7.469 1.00 0.00 H new ATOM 0 HE2 TYR A 85 11.664 0.149 -4.356 1.00 0.00 H new ATOM 0 HH TYR A 85 12.353 1.295 -6.116 1.00 0.00 H new ATOM 1258 N VAL A 86 4.733 -3.555 -3.926 1.00 0.00 N ATOM 1259 CA VAL A 86 4.079 -4.523 -3.053 1.00 0.00 C ATOM 1260 C VAL A 86 3.426 -5.638 -3.861 1.00 0.00 C ATOM 1261 O VAL A 86 3.048 -5.443 -5.017 1.00 0.00 O ATOM 1262 CB VAL A 86 3.012 -3.851 -2.170 1.00 0.00 C ATOM 1263 CG1 VAL A 86 3.631 -2.742 -1.332 1.00 0.00 C ATOM 1264 CG2 VAL A 86 1.875 -3.312 -3.025 1.00 0.00 C ATOM 0 H VAL A 86 4.156 -3.229 -4.701 1.00 0.00 H new ATOM 0 HA VAL A 86 4.854 -4.947 -2.414 1.00 0.00 H new ATOM 0 HB VAL A 86 2.603 -4.600 -1.492 1.00 0.00 H new ATOM 0 HG11 VAL A 86 2.861 -2.279 -0.715 1.00 0.00 H new ATOM 0 HG12 VAL A 86 4.407 -3.160 -0.691 1.00 0.00 H new ATOM 0 HG13 VAL A 86 4.069 -1.991 -1.989 1.00 0.00 H new ATOM 0 HG21 VAL A 86 1.130 -2.840 -2.384 1.00 0.00 H new ATOM 0 HG22 VAL A 86 2.266 -2.577 -3.729 1.00 0.00 H new ATOM 0 HG23 VAL A 86 1.413 -4.132 -3.575 1.00 0.00 H new ATOM 1274 N LYS A 87 3.296 -6.809 -3.246 1.00 0.00 N ATOM 1275 CA LYS A 87 2.686 -7.957 -3.907 1.00 0.00 C ATOM 1276 C LYS A 87 1.655 -8.622 -3.000 1.00 0.00 C ATOM 1277 O LYS A 87 1.945 -8.948 -1.850 1.00 0.00 O ATOM 1278 CB LYS A 87 3.760 -8.971 -4.305 1.00 0.00 C ATOM 1279 CG LYS A 87 3.383 -9.814 -5.511 1.00 0.00 C ATOM 1280 CD LYS A 87 2.413 -10.921 -5.136 1.00 0.00 C ATOM 1281 CE LYS A 87 3.105 -12.030 -4.359 1.00 0.00 C ATOM 1282 NZ LYS A 87 3.077 -11.781 -2.891 1.00 0.00 N ATOM 0 H LYS A 87 3.605 -6.988 -2.291 1.00 0.00 H new ATOM 0 HA LYS A 87 2.179 -7.602 -4.804 1.00 0.00 H new ATOM 0 HB2 LYS A 87 4.688 -8.440 -4.519 1.00 0.00 H new ATOM 0 HB3 LYS A 87 3.957 -9.630 -3.459 1.00 0.00 H new ATOM 0 HG2 LYS A 87 2.934 -9.178 -6.274 1.00 0.00 H new ATOM 0 HG3 LYS A 87 4.282 -10.249 -5.947 1.00 0.00 H new ATOM 0 HD2 LYS A 87 1.602 -10.508 -4.537 1.00 0.00 H new ATOM 0 HD3 LYS A 87 1.964 -11.334 -6.039 1.00 0.00 H new ATOM 0 HE2 LYS A 87 2.620 -12.982 -4.575 1.00 0.00 H new ATOM 0 HE3 LYS A 87 4.139 -12.116 -4.693 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 3.986 -11.376 -2.590 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 2.310 -11.116 -2.666 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 2.915 -12.678 -2.390 1.00 0.00 H new