USER MOD reduce.3.24.130724 H: found=0, std=0, add=375, rem=0, adj=10 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 -114:sc= -4.75! (180deg=-10.8!) USER MOD Set 1.2: A 41 TYR OH : rot 180:sc= -0.48 USER MOD Single : A 35 CYS SG : rot 36:sc= 0.543 USER MOD Single : A 36 GLN : amide:sc= -0.0405 K(o=-0.041,f=-0.57) USER MOD Single : A 43 TYR OH : rot -129:sc= 0.424 USER MOD Single : A 52 SER OG : rot 117:sc= -3.14! USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ -131:sc= 0.0944 (180deg=0) USER MOD Single : A 57 GLN : amide:sc= 0.841 K(o=0.84,f=-5.8!) USER MOD Single : A 60 ASN : amide:sc= -3.06 K(o=-3.1,f=-7!) USER MOD Single : A 62 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 63 ASN : amide:sc= -1.36 X(o=-1.4,f=-0.87!) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 GLN : amide:sc= 0 K(o=0,f=-0.62) 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 99:sc= 1.37 USER MOD Single : A 84 ASN : amide:sc= -0.106 K(o=-0.11,f=-2.7) USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 467 N VAL A 34 -8.291 -3.259 3.171 1.00 0.00 N ATOM 468 CA VAL A 34 -8.938 -3.959 2.068 1.00 0.00 C ATOM 469 C VAL A 34 -8.269 -5.303 1.802 1.00 0.00 C ATOM 470 O VAL A 34 -8.926 -6.268 1.410 1.00 0.00 O ATOM 471 CB VAL A 34 -8.909 -3.120 0.776 1.00 0.00 C ATOM 472 CG1 VAL A 34 -9.923 -1.989 0.851 1.00 0.00 C ATOM 473 CG2 VAL A 34 -7.510 -2.577 0.525 1.00 0.00 C ATOM 0 HA VAL A 34 -9.974 -4.124 2.363 1.00 0.00 H new ATOM 0 HB VAL A 34 -9.180 -3.764 -0.061 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -9.888 -1.407 -0.070 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -10.922 -2.404 0.980 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -9.686 -1.344 1.697 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -7.508 -1.987 -0.391 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -7.208 -1.948 1.362 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -6.810 -3.407 0.424 1.00 0.00 H new ATOM 483 N CYS A 35 -6.960 -5.359 2.020 1.00 0.00 N ATOM 484 CA CYS A 35 -6.201 -6.586 1.804 1.00 0.00 C ATOM 485 C CYS A 35 -4.815 -6.486 2.434 1.00 0.00 C ATOM 486 O CYS A 35 -4.493 -5.497 3.091 1.00 0.00 O ATOM 487 CB CYS A 35 -6.075 -6.876 0.307 1.00 0.00 C ATOM 488 SG CYS A 35 -7.428 -7.865 -0.370 1.00 0.00 S ATOM 0 H CYS A 35 -6.402 -4.570 2.346 1.00 0.00 H new ATOM 0 HA CYS A 35 -6.739 -7.405 2.281 1.00 0.00 H new ATOM 0 HB2 CYS A 35 -6.026 -5.930 -0.232 1.00 0.00 H new ATOM 0 HB3 CYS A 35 -5.134 -7.396 0.126 1.00 0.00 H new ATOM 0 HG CYS A 35 -8.542 -7.533 0.212 1.00 0.00 H new ATOM 494 N GLN A 36 -4.002 -7.517 2.229 1.00 0.00 N ATOM 495 CA GLN A 36 -2.652 -7.545 2.779 1.00 0.00 C ATOM 496 C GLN A 36 -1.623 -7.807 1.684 1.00 0.00 C ATOM 497 O GLN A 36 -1.713 -8.798 0.958 1.00 0.00 O ATOM 498 CB GLN A 36 -2.544 -8.618 3.864 1.00 0.00 C ATOM 499 CG GLN A 36 -1.307 -8.477 4.737 1.00 0.00 C ATOM 500 CD GLN A 36 -0.987 -9.745 5.505 1.00 0.00 C ATOM 501 OE1 GLN A 36 -1.065 -10.848 4.964 1.00 0.00 O ATOM 502 NE2 GLN A 36 -0.623 -9.593 6.773 1.00 0.00 N ATOM 0 H GLN A 36 -4.254 -8.343 1.687 1.00 0.00 H new ATOM 0 HA GLN A 36 -2.446 -6.570 3.220 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -3.431 -8.575 4.496 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -2.536 -9.601 3.392 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -0.455 -8.210 4.112 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -1.455 -7.658 5.441 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -0.572 -8.659 7.181 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -0.394 -10.410 7.339 1.00 0.00 H new ATOM 511 N VAL A 37 -0.647 -6.913 1.570 1.00 0.00 N ATOM 512 CA VAL A 37 0.400 -7.047 0.564 1.00 0.00 C ATOM 513 C VAL A 37 1.775 -7.151 1.212 1.00 0.00 C ATOM 514 O VAL A 37 1.937 -6.865 2.399 1.00 0.00 O ATOM 515 CB VAL A 37 0.394 -5.858 -0.415 1.00 0.00 C ATOM 516 CG1 VAL A 37 -0.911 -5.814 -1.195 1.00 0.00 C ATOM 517 CG2 VAL A 37 0.621 -4.552 0.333 1.00 0.00 C ATOM 0 H VAL A 37 -0.559 -6.087 2.162 1.00 0.00 H new ATOM 0 HA VAL A 37 0.192 -7.963 0.012 1.00 0.00 H new ATOM 0 HB VAL A 37 1.210 -5.991 -1.126 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -0.896 -4.967 -1.881 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -1.028 -6.738 -1.761 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -1.745 -5.705 -0.502 1.00 0.00 H new ATOM 0 HG21 VAL A 37 0.614 -3.722 -0.374 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -0.172 -4.410 1.067 1.00 0.00 H new ATOM 0 HG23 VAL A 37 1.584 -4.587 0.842 1.00 0.00 H new ATOM 527 N ILE A 38 2.764 -7.563 0.426 1.00 0.00 N ATOM 528 CA ILE A 38 4.127 -7.703 0.923 1.00 0.00 C ATOM 529 C ILE A 38 5.093 -6.824 0.137 1.00 0.00 C ATOM 530 O ILE A 38 4.942 -6.645 -1.071 1.00 0.00 O ATOM 531 CB ILE A 38 4.606 -9.165 0.850 1.00 0.00 C ATOM 532 CG1 ILE A 38 5.658 -9.435 1.927 1.00 0.00 C ATOM 533 CG2 ILE A 38 5.164 -9.471 -0.532 1.00 0.00 C ATOM 534 CD1 ILE A 38 5.659 -10.863 2.426 1.00 0.00 C ATOM 0 H ILE A 38 2.647 -7.806 -0.558 1.00 0.00 H new ATOM 0 HA ILE A 38 4.116 -7.384 1.965 1.00 0.00 H new ATOM 0 HB ILE A 38 3.754 -9.820 1.030 1.00 0.00 H new ATOM 0 HG12 ILE A 38 6.644 -9.197 1.528 1.00 0.00 H new ATOM 0 HG13 ILE A 38 5.485 -8.765 2.769 1.00 0.00 H new ATOM 0 HG21 ILE A 38 5.498 -10.508 -0.568 1.00 0.00 H new ATOM 0 HG22 ILE A 38 4.388 -9.314 -1.281 1.00 0.00 H new ATOM 0 HG23 ILE A 38 6.006 -8.811 -0.739 1.00 0.00 H new ATOM 0 HD11 ILE A 38 6.430 -10.982 3.187 1.00 0.00 H new ATOM 0 HD12 ILE A 38 4.685 -11.099 2.855 1.00 0.00 H new ATOM 0 HD13 ILE A 38 5.863 -11.539 1.595 1.00 0.00 H new ATOM 546 N ALA A 39 6.087 -6.278 0.830 1.00 0.00 N ATOM 547 CA ALA A 39 7.080 -5.420 0.196 1.00 0.00 C ATOM 548 C ALA A 39 8.043 -6.236 -0.660 1.00 0.00 C ATOM 549 O ALA A 39 8.674 -7.176 -0.177 1.00 0.00 O ATOM 550 CB ALA A 39 7.845 -4.631 1.248 1.00 0.00 C ATOM 0 H ALA A 39 6.226 -6.415 1.831 1.00 0.00 H new ATOM 0 HA ALA A 39 6.557 -4.721 -0.457 1.00 0.00 H new ATOM 0 HB1 ALA A 39 8.583 -3.995 0.760 1.00 0.00 H new ATOM 0 HB2 ALA A 39 7.150 -4.012 1.815 1.00 0.00 H new ATOM 0 HB3 ALA A 39 8.351 -5.321 1.924 1.00 0.00 H new ATOM 556 N MET A 40 8.151 -5.870 -1.933 1.00 0.00 N ATOM 557 CA MET A 40 9.039 -6.568 -2.856 1.00 0.00 C ATOM 558 C MET A 40 10.486 -6.129 -2.656 1.00 0.00 C ATOM 559 O MET A 40 11.406 -6.945 -2.714 1.00 0.00 O ATOM 560 CB MET A 40 8.611 -6.311 -4.302 1.00 0.00 C ATOM 561 CG MET A 40 7.282 -6.953 -4.665 1.00 0.00 C ATOM 562 SD MET A 40 7.136 -7.296 -6.430 1.00 0.00 S ATOM 563 CE MET A 40 7.396 -5.662 -7.115 1.00 0.00 C ATOM 0 H MET A 40 7.635 -5.095 -2.349 1.00 0.00 H new ATOM 0 HA MET A 40 8.970 -7.636 -2.649 1.00 0.00 H new ATOM 0 HB2 MET A 40 8.543 -5.236 -4.467 1.00 0.00 H new ATOM 0 HB3 MET A 40 9.383 -6.688 -4.973 1.00 0.00 H new ATOM 0 HG2 MET A 40 7.167 -7.883 -4.107 1.00 0.00 H new ATOM 0 HG3 MET A 40 6.469 -6.295 -4.358 1.00 0.00 H new ATOM 0 HE1 MET A 40 6.480 -5.319 -7.596 1.00 0.00 H new ATOM 0 HE2 MET A 40 7.667 -4.972 -6.316 1.00 0.00 H new ATOM 0 HE3 MET A 40 8.199 -5.700 -7.851 1.00 0.00 H new ATOM 573 N TYR A 41 10.680 -4.836 -2.421 1.00 0.00 N ATOM 574 CA TYR A 41 12.015 -4.288 -2.215 1.00 0.00 C ATOM 575 C TYR A 41 12.046 -3.373 -0.995 1.00 0.00 C ATOM 576 O TYR A 41 11.019 -2.834 -0.583 1.00 0.00 O ATOM 577 CB TYR A 41 12.470 -3.519 -3.456 1.00 0.00 C ATOM 578 CG TYR A 41 11.943 -4.093 -4.752 1.00 0.00 C ATOM 579 CD1 TYR A 41 10.729 -3.670 -5.279 1.00 0.00 C ATOM 580 CD2 TYR A 41 12.658 -5.059 -5.449 1.00 0.00 C ATOM 581 CE1 TYR A 41 10.243 -4.192 -6.462 1.00 0.00 C ATOM 582 CE2 TYR A 41 12.181 -5.586 -6.633 1.00 0.00 C ATOM 583 CZ TYR A 41 10.972 -5.149 -7.135 1.00 0.00 C ATOM 584 OH TYR A 41 10.492 -5.672 -8.314 1.00 0.00 O ATOM 0 H TYR A 41 9.929 -4.148 -2.368 1.00 0.00 H new ATOM 0 HA TYR A 41 12.699 -5.119 -2.040 1.00 0.00 H new ATOM 0 HB2 TYR A 41 12.146 -2.482 -3.369 1.00 0.00 H new ATOM 0 HB3 TYR A 41 13.559 -3.511 -3.489 1.00 0.00 H new ATOM 0 HD1 TYR A 41 10.155 -2.920 -4.755 1.00 0.00 H new ATOM 0 HD2 TYR A 41 13.604 -5.404 -5.058 1.00 0.00 H new ATOM 0 HE1 TYR A 41 9.297 -3.852 -6.857 1.00 0.00 H new ATOM 0 HE2 TYR A 41 12.750 -6.335 -7.163 1.00 0.00 H new ATOM 0 HH TYR A 41 11.127 -6.334 -8.661 1.00 0.00 H new ATOM 594 N ASP A 42 13.233 -3.200 -0.424 1.00 0.00 N ATOM 595 CA ASP A 42 13.401 -2.349 0.748 1.00 0.00 C ATOM 596 C ASP A 42 13.064 -0.898 0.418 1.00 0.00 C ATOM 597 O ASP A 42 13.864 -0.187 -0.190 1.00 0.00 O ATOM 598 CB ASP A 42 14.834 -2.445 1.274 1.00 0.00 C ATOM 599 CG ASP A 42 15.854 -2.556 0.158 1.00 0.00 C ATOM 600 OD1 ASP A 42 15.886 -3.608 -0.513 1.00 0.00 O ATOM 601 OD2 ASP A 42 16.621 -1.591 -0.043 1.00 0.00 O ATOM 0 H ASP A 42 14.093 -3.638 -0.754 1.00 0.00 H new ATOM 0 HA ASP A 42 12.715 -2.697 1.520 1.00 0.00 H new ATOM 0 HB2 ASP A 42 15.056 -1.566 1.879 1.00 0.00 H new ATOM 0 HB3 ASP A 42 14.920 -3.312 1.929 1.00 0.00 H new ATOM 606 N TYR A 43 11.874 -0.466 0.823 1.00 0.00 N ATOM 607 CA TYR A 43 11.430 0.899 0.567 1.00 0.00 C ATOM 608 C TYR A 43 11.794 1.818 1.729 1.00 0.00 C ATOM 609 O TYR A 43 11.580 1.479 2.893 1.00 0.00 O ATOM 610 CB TYR A 43 9.918 0.930 0.333 1.00 0.00 C ATOM 611 CG TYR A 43 9.433 2.203 -0.322 1.00 0.00 C ATOM 612 CD1 TYR A 43 9.514 3.422 0.339 1.00 0.00 C ATOM 613 CD2 TYR A 43 8.892 2.187 -1.602 1.00 0.00 C ATOM 614 CE1 TYR A 43 9.072 4.588 -0.255 1.00 0.00 C ATOM 615 CE2 TYR A 43 8.448 3.348 -2.205 1.00 0.00 C ATOM 616 CZ TYR A 43 8.540 4.546 -1.527 1.00 0.00 C ATOM 617 OH TYR A 43 8.097 5.705 -2.123 1.00 0.00 O ATOM 0 H TYR A 43 11.201 -1.041 1.329 1.00 0.00 H new ATOM 0 HA TYR A 43 11.938 1.257 -0.329 1.00 0.00 H new ATOM 0 HB2 TYR A 43 9.638 0.081 -0.290 1.00 0.00 H new ATOM 0 HB3 TYR A 43 9.408 0.806 1.288 1.00 0.00 H new ATOM 0 HD1 TYR A 43 9.930 3.459 1.335 1.00 0.00 H new ATOM 0 HD2 TYR A 43 8.817 1.250 -2.135 1.00 0.00 H new ATOM 0 HE1 TYR A 43 9.143 5.527 0.273 1.00 0.00 H new ATOM 0 HE2 TYR A 43 8.031 3.318 -3.201 1.00 0.00 H new ATOM 0 HH TYR A 43 7.187 5.572 -2.461 1.00 0.00 H new ATOM 627 N ALA A 44 12.346 2.982 1.404 1.00 0.00 N ATOM 628 CA ALA A 44 12.738 3.952 2.419 1.00 0.00 C ATOM 629 C ALA A 44 12.149 5.327 2.122 1.00 0.00 C ATOM 630 O ALA A 44 12.677 6.074 1.300 1.00 0.00 O ATOM 631 CB ALA A 44 14.254 4.034 2.512 1.00 0.00 C ATOM 0 H ALA A 44 12.532 3.276 0.445 1.00 0.00 H new ATOM 0 HA ALA A 44 12.343 3.617 3.378 1.00 0.00 H new ATOM 0 HB1 ALA A 44 14.533 4.762 3.274 1.00 0.00 H new ATOM 0 HB2 ALA A 44 14.655 3.057 2.780 1.00 0.00 H new ATOM 0 HB3 ALA A 44 14.661 4.342 1.549 1.00 0.00 H new ATOM 637 N ALA A 45 11.050 5.653 2.795 1.00 0.00 N ATOM 638 CA ALA A 45 10.390 6.938 2.604 1.00 0.00 C ATOM 639 C ALA A 45 11.410 8.056 2.414 1.00 0.00 C ATOM 640 O ALA A 45 12.090 8.455 3.358 1.00 0.00 O ATOM 641 CB ALA A 45 9.481 7.245 3.785 1.00 0.00 C ATOM 0 H ALA A 45 10.598 5.044 3.477 1.00 0.00 H new ATOM 0 HA ALA A 45 9.784 6.877 1.700 1.00 0.00 H new ATOM 0 HB1 ALA A 45 8.994 8.208 3.629 1.00 0.00 H new ATOM 0 HB2 ALA A 45 8.724 6.466 3.874 1.00 0.00 H new ATOM 0 HB3 ALA A 45 10.073 7.282 4.700 1.00 0.00 H new ATOM 702 N GLU A 50 6.233 9.699 3.084 1.00 0.00 N ATOM 703 CA GLU A 50 6.147 8.346 2.546 1.00 0.00 C ATOM 704 C GLU A 50 6.378 7.309 3.641 1.00 0.00 C ATOM 705 O GLU A 50 6.748 7.649 4.766 1.00 0.00 O ATOM 706 CB GLU A 50 7.169 8.154 1.423 1.00 0.00 C ATOM 707 CG GLU A 50 6.797 8.867 0.134 1.00 0.00 C ATOM 708 CD GLU A 50 5.930 10.089 0.372 1.00 0.00 C ATOM 709 OE1 GLU A 50 4.773 9.918 0.811 1.00 0.00 O ATOM 710 OE2 GLU A 50 6.407 11.214 0.118 1.00 0.00 O ATOM 0 HA GLU A 50 5.144 8.206 2.143 1.00 0.00 H new ATOM 0 HB2 GLU A 50 8.140 8.515 1.761 1.00 0.00 H new ATOM 0 HB3 GLU A 50 7.278 7.089 1.221 1.00 0.00 H new ATOM 0 HG2 GLU A 50 7.707 9.167 -0.386 1.00 0.00 H new ATOM 0 HG3 GLU A 50 6.269 8.174 -0.521 1.00 0.00 H new ATOM 717 N LEU A 51 6.158 6.043 3.305 1.00 0.00 N ATOM 718 CA LEU A 51 6.341 4.955 4.259 1.00 0.00 C ATOM 719 C LEU A 51 7.661 4.231 4.013 1.00 0.00 C ATOM 720 O LEU A 51 7.997 3.902 2.875 1.00 0.00 O ATOM 721 CB LEU A 51 5.179 3.965 4.163 1.00 0.00 C ATOM 722 CG LEU A 51 4.745 3.310 5.475 1.00 0.00 C ATOM 723 CD1 LEU A 51 3.650 2.285 5.224 1.00 0.00 C ATOM 724 CD2 LEU A 51 5.936 2.662 6.167 1.00 0.00 C ATOM 0 H LEU A 51 5.853 5.744 2.379 1.00 0.00 H new ATOM 0 HA LEU A 51 6.364 5.384 5.261 1.00 0.00 H new ATOM 0 HB2 LEU A 51 4.320 4.484 3.738 1.00 0.00 H new ATOM 0 HB3 LEU A 51 5.455 3.178 3.461 1.00 0.00 H new ATOM 0 HG LEU A 51 4.346 4.084 6.130 1.00 0.00 H new ATOM 0 HD11 LEU A 51 3.354 1.830 6.169 1.00 0.00 H new ATOM 0 HD12 LEU A 51 2.788 2.776 4.773 1.00 0.00 H new ATOM 0 HD13 LEU A 51 4.022 1.513 4.550 1.00 0.00 H new ATOM 0 HD21 LEU A 51 5.609 2.201 7.099 1.00 0.00 H new ATOM 0 HD22 LEU A 51 6.365 1.900 5.516 1.00 0.00 H new ATOM 0 HD23 LEU A 51 6.689 3.420 6.382 1.00 0.00 H new ATOM 736 N SER A 52 8.405 3.985 5.087 1.00 0.00 N ATOM 737 CA SER A 52 9.689 3.302 4.987 1.00 0.00 C ATOM 738 C SER A 52 9.591 1.880 5.531 1.00 0.00 C ATOM 739 O SER A 52 9.319 1.672 6.713 1.00 0.00 O ATOM 740 CB SER A 52 10.764 4.078 5.750 1.00 0.00 C ATOM 741 OG SER A 52 10.763 5.447 5.382 1.00 0.00 O ATOM 0 H SER A 52 8.140 4.249 6.036 1.00 0.00 H new ATOM 0 HA SER A 52 9.965 3.252 3.934 1.00 0.00 H new ATOM 0 HB2 SER A 52 10.591 3.986 6.822 1.00 0.00 H new ATOM 0 HB3 SER A 52 11.743 3.644 5.547 1.00 0.00 H new ATOM 0 HG SER A 52 10.536 5.995 6.162 1.00 0.00 H new ATOM 747 N PHE A 53 9.814 0.903 4.657 1.00 0.00 N ATOM 748 CA PHE A 53 9.750 -0.501 5.048 1.00 0.00 C ATOM 749 C PHE A 53 10.820 -1.315 4.325 1.00 0.00 C ATOM 750 O PHE A 53 11.394 -0.865 3.334 1.00 0.00 O ATOM 751 CB PHE A 53 8.365 -1.074 4.744 1.00 0.00 C ATOM 752 CG PHE A 53 7.887 -0.782 3.350 1.00 0.00 C ATOM 753 CD1 PHE A 53 8.349 -1.526 2.276 1.00 0.00 C ATOM 754 CD2 PHE A 53 6.978 0.236 3.114 1.00 0.00 C ATOM 755 CE1 PHE A 53 7.912 -1.259 0.992 1.00 0.00 C ATOM 756 CE2 PHE A 53 6.537 0.507 1.832 1.00 0.00 C ATOM 757 CZ PHE A 53 7.004 -0.242 0.770 1.00 0.00 C ATOM 0 H PHE A 53 10.040 1.058 3.675 1.00 0.00 H new ATOM 0 HA PHE A 53 9.933 -0.563 6.121 1.00 0.00 H new ATOM 0 HB2 PHE A 53 8.387 -2.154 4.893 1.00 0.00 H new ATOM 0 HB3 PHE A 53 7.648 -0.668 5.458 1.00 0.00 H new ATOM 0 HD1 PHE A 53 9.058 -2.323 2.444 1.00 0.00 H new ATOM 0 HD2 PHE A 53 6.609 0.825 3.941 1.00 0.00 H new ATOM 0 HE1 PHE A 53 8.280 -1.845 0.163 1.00 0.00 H new ATOM 0 HE2 PHE A 53 5.828 1.304 1.661 1.00 0.00 H new ATOM 0 HZ PHE A 53 6.660 -0.033 -0.232 1.00 0.00 H new ATOM 767 N SER A 54 11.081 -2.517 4.830 1.00 0.00 N ATOM 768 CA SER A 54 12.084 -3.393 4.237 1.00 0.00 C ATOM 769 C SER A 54 11.424 -4.570 3.524 1.00 0.00 C ATOM 770 O SER A 54 10.329 -4.997 3.890 1.00 0.00 O ATOM 771 CB SER A 54 13.044 -3.906 5.312 1.00 0.00 C ATOM 772 OG SER A 54 13.879 -2.865 5.789 1.00 0.00 O ATOM 0 H SER A 54 10.612 -2.906 5.648 1.00 0.00 H new ATOM 0 HA SER A 54 12.647 -2.816 3.504 1.00 0.00 H new ATOM 0 HB2 SER A 54 12.475 -4.329 6.140 1.00 0.00 H new ATOM 0 HB3 SER A 54 13.657 -4.710 4.903 1.00 0.00 H new ATOM 0 HG SER A 54 14.482 -3.218 6.476 1.00 0.00 H new ATOM 778 N LYS A 55 12.099 -5.090 2.505 1.00 0.00 N ATOM 779 CA LYS A 55 11.581 -6.219 1.740 1.00 0.00 C ATOM 780 C LYS A 55 10.961 -7.263 2.663 1.00 0.00 C ATOM 781 O LYS A 55 11.645 -7.849 3.501 1.00 0.00 O ATOM 782 CB LYS A 55 12.699 -6.855 0.911 1.00 0.00 C ATOM 783 CG LYS A 55 12.290 -8.151 0.232 1.00 0.00 C ATOM 784 CD LYS A 55 13.390 -8.675 -0.676 1.00 0.00 C ATOM 785 CE LYS A 55 13.085 -10.084 -1.164 1.00 0.00 C ATOM 786 NZ LYS A 55 12.281 -10.075 -2.417 1.00 0.00 N ATOM 0 H LYS A 55 13.007 -4.748 2.189 1.00 0.00 H new ATOM 0 HA LYS A 55 10.806 -5.847 1.070 1.00 0.00 H new ATOM 0 HB2 LYS A 55 13.026 -6.144 0.152 1.00 0.00 H new ATOM 0 HB3 LYS A 55 13.555 -7.048 1.558 1.00 0.00 H new ATOM 0 HG2 LYS A 55 12.053 -8.900 0.988 1.00 0.00 H new ATOM 0 HG3 LYS A 55 11.383 -7.988 -0.350 1.00 0.00 H new ATOM 0 HD2 LYS A 55 13.505 -8.009 -1.531 1.00 0.00 H new ATOM 0 HD3 LYS A 55 14.339 -8.672 -0.139 1.00 0.00 H new ATOM 0 HE2 LYS A 55 14.019 -10.619 -1.336 1.00 0.00 H new ATOM 0 HE3 LYS A 55 12.544 -10.628 -0.389 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 11.471 -10.720 -2.315 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 11.935 -9.111 -2.601 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 12.874 -10.388 -3.212 1.00 0.00 H new ATOM 800 N GLY A 56 9.661 -7.490 2.503 1.00 0.00 N ATOM 801 CA GLY A 56 8.971 -8.465 3.328 1.00 0.00 C ATOM 802 C GLY A 56 8.378 -7.849 4.580 1.00 0.00 C ATOM 803 O GLY A 56 8.264 -8.511 5.610 1.00 0.00 O ATOM 0 H GLY A 56 9.073 -7.016 1.817 1.00 0.00 H new ATOM 0 HA2 GLY A 56 8.177 -8.932 2.746 1.00 0.00 H new ATOM 0 HA3 GLY A 56 9.667 -9.255 3.610 1.00 0.00 H new ATOM 807 N GLN A 57 8.001 -6.577 4.490 1.00 0.00 N ATOM 808 CA GLN A 57 7.419 -5.872 5.626 1.00 0.00 C ATOM 809 C GLN A 57 5.909 -6.077 5.678 1.00 0.00 C ATOM 810 O GLN A 57 5.268 -6.313 4.653 1.00 0.00 O ATOM 811 CB GLN A 57 7.741 -4.378 5.544 1.00 0.00 C ATOM 812 CG GLN A 57 7.557 -3.644 6.862 1.00 0.00 C ATOM 813 CD GLN A 57 8.810 -3.652 7.715 1.00 0.00 C ATOM 814 OE1 GLN A 57 9.925 -3.544 7.202 1.00 0.00 O ATOM 815 NE2 GLN A 57 8.635 -3.780 9.025 1.00 0.00 N ATOM 0 H GLN A 57 8.088 -6.015 3.643 1.00 0.00 H new ATOM 0 HA GLN A 57 7.854 -6.281 6.538 1.00 0.00 H new ATOM 0 HB2 GLN A 57 8.771 -4.254 5.209 1.00 0.00 H new ATOM 0 HB3 GLN A 57 7.103 -3.918 4.789 1.00 0.00 H new ATOM 0 HG2 GLN A 57 7.265 -2.613 6.662 1.00 0.00 H new ATOM 0 HG3 GLN A 57 6.740 -4.104 7.419 1.00 0.00 H new ATOM 0 HE21 GLN A 57 7.693 -3.867 9.408 1.00 0.00 H new ATOM 0 HE22 GLN A 57 9.442 -3.792 9.649 1.00 0.00 H new ATOM 824 N LEU A 58 5.346 -5.985 6.877 1.00 0.00 N ATOM 825 CA LEU A 58 3.910 -6.161 7.064 1.00 0.00 C ATOM 826 C LEU A 58 3.147 -4.917 6.619 1.00 0.00 C ATOM 827 O LEU A 58 3.083 -3.924 7.345 1.00 0.00 O ATOM 828 CB LEU A 58 3.599 -6.467 8.530 1.00 0.00 C ATOM 829 CG LEU A 58 2.244 -5.982 9.045 1.00 0.00 C ATOM 830 CD1 LEU A 58 1.136 -6.371 8.078 1.00 0.00 C ATOM 831 CD2 LEU A 58 1.967 -6.546 10.431 1.00 0.00 C ATOM 0 H LEU A 58 5.862 -5.789 7.735 1.00 0.00 H new ATOM 0 HA LEU A 58 3.589 -7.002 6.449 1.00 0.00 H new ATOM 0 HB2 LEU A 58 3.655 -7.546 8.675 1.00 0.00 H new ATOM 0 HB3 LEU A 58 4.380 -6.022 9.147 1.00 0.00 H new ATOM 0 HG LEU A 58 2.272 -4.895 9.116 1.00 0.00 H new ATOM 0 HD11 LEU A 58 0.178 -6.018 8.461 1.00 0.00 H new ATOM 0 HD12 LEU A 58 1.327 -5.919 7.105 1.00 0.00 H new ATOM 0 HD13 LEU A 58 1.107 -7.456 7.975 1.00 0.00 H new ATOM 0 HD21 LEU A 58 0.998 -6.190 10.782 1.00 0.00 H new ATOM 0 HD22 LEU A 58 1.959 -7.635 10.386 1.00 0.00 H new ATOM 0 HD23 LEU A 58 2.745 -6.217 11.120 1.00 0.00 H new ATOM 843 N ILE A 59 2.568 -4.980 5.425 1.00 0.00 N ATOM 844 CA ILE A 59 1.807 -3.860 4.886 1.00 0.00 C ATOM 845 C ILE A 59 0.356 -4.253 4.633 1.00 0.00 C ATOM 846 O ILE A 59 0.079 -5.293 4.036 1.00 0.00 O ATOM 847 CB ILE A 59 2.423 -3.339 3.574 1.00 0.00 C ATOM 848 CG1 ILE A 59 3.787 -2.700 3.843 1.00 0.00 C ATOM 849 CG2 ILE A 59 1.486 -2.342 2.908 1.00 0.00 C ATOM 850 CD1 ILE A 59 4.658 -2.593 2.611 1.00 0.00 C ATOM 0 H ILE A 59 2.611 -5.795 4.813 1.00 0.00 H new ATOM 0 HA ILE A 59 1.841 -3.067 5.633 1.00 0.00 H new ATOM 0 HB ILE A 59 2.566 -4.182 2.897 1.00 0.00 H new ATOM 0 HG12 ILE A 59 3.637 -1.704 4.259 1.00 0.00 H new ATOM 0 HG13 ILE A 59 4.311 -3.286 4.599 1.00 0.00 H new ATOM 0 HG21 ILE A 59 1.935 -1.983 1.982 1.00 0.00 H new ATOM 0 HG22 ILE A 59 0.536 -2.828 2.686 1.00 0.00 H new ATOM 0 HG23 ILE A 59 1.315 -1.500 3.579 1.00 0.00 H new ATOM 0 HD11 ILE A 59 5.609 -2.131 2.877 1.00 0.00 H new ATOM 0 HD12 ILE A 59 4.839 -3.589 2.206 1.00 0.00 H new ATOM 0 HD13 ILE A 59 4.155 -1.982 1.861 1.00 0.00 H new ATOM 862 N ASN A 60 -0.568 -3.412 5.089 1.00 0.00 N ATOM 863 CA ASN A 60 -1.992 -3.672 4.910 1.00 0.00 C ATOM 864 C ASN A 60 -2.664 -2.524 4.162 1.00 0.00 C ATOM 865 O ASN A 60 -2.978 -1.487 4.747 1.00 0.00 O ATOM 866 CB ASN A 60 -2.668 -3.876 6.267 1.00 0.00 C ATOM 867 CG ASN A 60 -1.896 -4.828 7.161 1.00 0.00 C ATOM 868 OD1 ASN A 60 -1.445 -5.884 6.718 1.00 0.00 O ATOM 869 ND2 ASN A 60 -1.741 -4.457 8.426 1.00 0.00 N ATOM 0 H ASN A 60 -0.356 -2.546 5.584 1.00 0.00 H new ATOM 0 HA ASN A 60 -2.099 -4.581 4.318 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -2.769 -2.913 6.768 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -3.675 -4.263 6.113 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -1.231 -5.057 9.074 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -2.132 -3.572 8.750 1.00 0.00 H new ATOM 876 N VAL A 61 -2.882 -2.718 2.865 1.00 0.00 N ATOM 877 CA VAL A 61 -3.519 -1.701 2.037 1.00 0.00 C ATOM 878 C VAL A 61 -4.889 -1.323 2.587 1.00 0.00 C ATOM 879 O VAL A 61 -5.763 -2.175 2.744 1.00 0.00 O ATOM 880 CB VAL A 61 -3.676 -2.180 0.582 1.00 0.00 C ATOM 881 CG1 VAL A 61 -4.311 -1.094 -0.273 1.00 0.00 C ATOM 882 CG2 VAL A 61 -2.330 -2.600 0.011 1.00 0.00 C ATOM 0 H VAL A 61 -2.627 -3.570 2.365 1.00 0.00 H new ATOM 0 HA VAL A 61 -2.870 -0.826 2.055 1.00 0.00 H new ATOM 0 HB VAL A 61 -4.336 -3.048 0.573 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -4.414 -1.451 -1.298 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -5.295 -0.846 0.125 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -3.680 -0.205 -0.260 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -2.460 -2.936 -1.018 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -1.645 -1.752 0.032 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -1.919 -3.414 0.609 1.00 0.00 H new ATOM 892 N MET A 62 -5.070 -0.039 2.878 1.00 0.00 N ATOM 893 CA MET A 62 -6.336 0.453 3.410 1.00 0.00 C ATOM 894 C MET A 62 -7.095 1.251 2.354 1.00 0.00 C ATOM 895 O MET A 62 -8.321 1.183 2.274 1.00 0.00 O ATOM 896 CB MET A 62 -6.092 1.322 4.645 1.00 0.00 C ATOM 897 CG MET A 62 -5.257 0.636 5.715 1.00 0.00 C ATOM 898 SD MET A 62 -4.345 1.806 6.739 1.00 0.00 S ATOM 899 CE MET A 62 -5.497 2.044 8.090 1.00 0.00 C ATOM 0 H MET A 62 -4.357 0.679 2.755 1.00 0.00 H new ATOM 0 HA MET A 62 -6.941 -0.408 3.695 1.00 0.00 H new ATOM 0 HB2 MET A 62 -5.592 2.241 4.339 1.00 0.00 H new ATOM 0 HB3 MET A 62 -7.053 1.608 5.073 1.00 0.00 H new ATOM 0 HG2 MET A 62 -5.909 0.035 6.349 1.00 0.00 H new ATOM 0 HG3 MET A 62 -4.555 -0.049 5.239 1.00 0.00 H new ATOM 0 HE1 MET A 62 -5.074 2.745 8.809 1.00 0.00 H new ATOM 0 HE2 MET A 62 -6.435 2.443 7.703 1.00 0.00 H new ATOM 0 HE3 MET A 62 -5.684 1.089 8.581 1.00 0.00 H new ATOM 909 N ASN A 63 -6.358 2.008 1.548 1.00 0.00 N ATOM 910 CA ASN A 63 -6.963 2.820 0.498 1.00 0.00 C ATOM 911 C ASN A 63 -6.142 2.748 -0.786 1.00 0.00 C ATOM 912 O ASN A 63 -5.065 3.336 -0.882 1.00 0.00 O ATOM 913 CB ASN A 63 -7.087 4.274 0.957 1.00 0.00 C ATOM 914 CG ASN A 63 -7.768 5.151 -0.077 1.00 0.00 C ATOM 915 OD1 ASN A 63 -7.108 5.805 -0.884 1.00 0.00 O ATOM 916 ND2 ASN A 63 -9.096 5.167 -0.056 1.00 0.00 N ATOM 0 H ASN A 63 -5.342 2.076 1.602 1.00 0.00 H new ATOM 0 HA ASN A 63 -7.958 2.424 0.294 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -7.651 4.311 1.889 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -6.094 4.671 1.169 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -9.610 5.738 -0.727 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -9.602 4.608 0.631 1.00 0.00 H new ATOM 923 N LYS A 64 -6.659 2.024 -1.773 1.00 0.00 N ATOM 924 CA LYS A 64 -5.977 1.875 -3.053 1.00 0.00 C ATOM 925 C LYS A 64 -6.834 2.417 -4.192 1.00 0.00 C ATOM 926 O LYS A 64 -6.964 1.782 -5.239 1.00 0.00 O ATOM 927 CB LYS A 64 -5.642 0.404 -3.308 1.00 0.00 C ATOM 928 CG LYS A 64 -6.866 -0.481 -3.462 1.00 0.00 C ATOM 929 CD LYS A 64 -6.501 -1.955 -3.398 1.00 0.00 C ATOM 930 CE LYS A 64 -7.431 -2.798 -4.257 1.00 0.00 C ATOM 931 NZ LYS A 64 -8.817 -2.825 -3.711 1.00 0.00 N ATOM 0 H LYS A 64 -7.550 1.531 -1.711 1.00 0.00 H new ATOM 0 HA LYS A 64 -5.052 2.450 -3.012 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -5.035 0.330 -4.210 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -5.035 0.030 -2.483 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -7.585 -0.249 -2.676 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -7.353 -0.267 -4.413 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -5.472 -2.091 -3.732 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -6.548 -2.298 -2.364 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -7.448 -2.401 -5.272 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -7.045 -3.816 -4.319 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -9.420 -3.410 -4.324 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -8.805 -3.228 -2.752 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -9.195 -1.857 -3.675 1.00 0.00 H new ATOM 945 N ASP A 65 -7.416 3.592 -3.982 1.00 0.00 N ATOM 946 CA ASP A 65 -8.259 4.220 -4.993 1.00 0.00 C ATOM 947 C ASP A 65 -7.475 4.465 -6.278 1.00 0.00 C ATOM 948 O ASP A 65 -8.045 4.496 -7.369 1.00 0.00 O ATOM 949 CB ASP A 65 -8.825 5.540 -4.467 1.00 0.00 C ATOM 950 CG ASP A 65 -7.742 6.566 -4.193 1.00 0.00 C ATOM 951 OD1 ASP A 65 -6.959 6.364 -3.241 1.00 0.00 O ATOM 952 OD2 ASP A 65 -7.678 7.572 -4.931 1.00 0.00 O ATOM 0 H ASP A 65 -7.320 4.129 -3.120 1.00 0.00 H new ATOM 0 HA ASP A 65 -9.084 3.543 -5.215 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -9.530 5.945 -5.193 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -9.384 5.353 -3.550 1.00 0.00 H new ATOM 957 N ASP A 66 -6.165 4.639 -6.142 1.00 0.00 N ATOM 958 CA ASP A 66 -5.302 4.881 -7.293 1.00 0.00 C ATOM 959 C ASP A 66 -4.393 3.684 -7.551 1.00 0.00 C ATOM 960 O ASP A 66 -3.638 3.247 -6.682 1.00 0.00 O ATOM 961 CB ASP A 66 -4.459 6.138 -7.070 1.00 0.00 C ATOM 962 CG ASP A 66 -5.155 7.395 -7.554 1.00 0.00 C ATOM 963 OD1 ASP A 66 -6.032 7.285 -8.437 1.00 0.00 O ATOM 964 OD2 ASP A 66 -4.824 8.488 -7.050 1.00 0.00 O ATOM 0 H ASP A 66 -5.677 4.617 -5.246 1.00 0.00 H new ATOM 0 HA ASP A 66 -5.936 5.028 -8.167 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -4.233 6.237 -6.008 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -3.507 6.030 -7.590 1.00 0.00 H new ATOM 969 N PRO A 67 -4.465 3.139 -8.775 1.00 0.00 N ATOM 970 CA PRO A 67 -3.656 1.984 -9.176 1.00 0.00 C ATOM 971 C PRO A 67 -2.178 2.332 -9.312 1.00 0.00 C ATOM 972 O PRO A 67 -1.365 1.490 -9.697 1.00 0.00 O ATOM 973 CB PRO A 67 -4.241 1.597 -10.537 1.00 0.00 C ATOM 974 CG PRO A 67 -4.843 2.855 -11.062 1.00 0.00 C ATOM 975 CD PRO A 67 -5.342 3.608 -9.861 1.00 0.00 C ATOM 0 HA PRO A 67 -3.693 1.184 -8.437 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -3.469 1.218 -11.207 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -4.990 0.811 -10.437 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -4.106 3.441 -11.611 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -5.658 2.639 -11.753 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -5.265 4.686 -10.002 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -6.389 3.387 -9.655 1.00 0.00 H new ATOM 983 N ASP A 68 -1.835 3.575 -8.993 1.00 0.00 N ATOM 984 CA ASP A 68 -0.453 4.033 -9.077 1.00 0.00 C ATOM 985 C ASP A 68 0.236 3.935 -7.720 1.00 0.00 C ATOM 986 O ASP A 68 1.359 3.442 -7.617 1.00 0.00 O ATOM 987 CB ASP A 68 -0.401 5.474 -9.587 1.00 0.00 C ATOM 988 CG ASP A 68 -1.496 5.772 -10.593 1.00 0.00 C ATOM 989 OD1 ASP A 68 -1.991 4.819 -11.229 1.00 0.00 O ATOM 990 OD2 ASP A 68 -1.856 6.958 -10.744 1.00 0.00 O ATOM 0 H ASP A 68 -2.495 4.284 -8.674 1.00 0.00 H new ATOM 0 HA ASP A 68 0.075 3.388 -9.779 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -0.491 6.158 -8.743 1.00 0.00 H new ATOM 0 HB3 ASP A 68 0.570 5.659 -10.046 1.00 0.00 H new ATOM 995 N TRP A 69 -0.444 4.409 -6.682 1.00 0.00 N ATOM 996 CA TRP A 69 0.104 4.376 -5.330 1.00 0.00 C ATOM 997 C TRP A 69 -0.916 3.819 -4.343 1.00 0.00 C ATOM 998 O TRP A 69 -2.111 4.099 -4.447 1.00 0.00 O ATOM 999 CB TRP A 69 0.537 5.778 -4.899 1.00 0.00 C ATOM 1000 CG TRP A 69 1.905 6.152 -5.384 1.00 0.00 C ATOM 1001 CD1 TRP A 69 2.279 6.395 -6.675 1.00 0.00 C ATOM 1002 CD2 TRP A 69 3.080 6.325 -4.584 1.00 0.00 C ATOM 1003 NE1 TRP A 69 3.616 6.707 -6.726 1.00 0.00 N ATOM 1004 CE2 TRP A 69 4.130 6.672 -5.456 1.00 0.00 C ATOM 1005 CE3 TRP A 69 3.347 6.222 -3.216 1.00 0.00 C ATOM 1006 CZ2 TRP A 69 5.424 6.915 -5.003 1.00 0.00 C ATOM 1007 CZ3 TRP A 69 4.631 6.463 -2.768 1.00 0.00 C ATOM 1008 CH2 TRP A 69 5.657 6.807 -3.659 1.00 0.00 C ATOM 0 H TRP A 69 -1.375 4.820 -6.750 1.00 0.00 H new ATOM 0 HA TRP A 69 0.974 3.720 -5.333 1.00 0.00 H new ATOM 0 HB2 TRP A 69 -0.185 6.504 -5.273 1.00 0.00 H new ATOM 0 HB3 TRP A 69 0.516 5.839 -3.811 1.00 0.00 H new ATOM 0 HD1 TRP A 69 1.621 6.349 -7.530 1.00 0.00 H new ATOM 0 HE1 TRP A 69 4.141 6.929 -7.572 1.00 0.00 H new ATOM 0 HE3 TRP A 69 2.563 5.959 -2.521 1.00 0.00 H new ATOM 0 HZ2 TRP A 69 6.216 7.179 -5.688 1.00 0.00 H new ATOM 0 HZ3 TRP A 69 4.848 6.385 -1.713 1.00 0.00 H new ATOM 0 HH2 TRP A 69 6.651 6.990 -3.277 1.00 0.00 H new ATOM 1019 N TRP A 70 -0.439 3.031 -3.387 1.00 0.00 N ATOM 1020 CA TRP A 70 -1.311 2.436 -2.381 1.00 0.00 C ATOM 1021 C TRP A 70 -0.917 2.892 -0.980 1.00 0.00 C ATOM 1022 O TRP A 70 0.221 3.299 -0.749 1.00 0.00 O ATOM 1023 CB TRP A 70 -1.256 0.910 -2.468 1.00 0.00 C ATOM 1024 CG TRP A 70 -1.957 0.358 -3.672 1.00 0.00 C ATOM 1025 CD1 TRP A 70 -2.766 1.042 -4.535 1.00 0.00 C ATOM 1026 CD2 TRP A 70 -1.912 -0.992 -4.146 1.00 0.00 C ATOM 1027 NE1 TRP A 70 -3.227 0.198 -5.516 1.00 0.00 N ATOM 1028 CE2 TRP A 70 -2.717 -1.055 -5.301 1.00 0.00 C ATOM 1029 CE3 TRP A 70 -1.270 -2.153 -3.709 1.00 0.00 C ATOM 1030 CZ2 TRP A 70 -2.895 -2.234 -6.020 1.00 0.00 C ATOM 1031 CZ3 TRP A 70 -1.447 -3.323 -4.424 1.00 0.00 C ATOM 1032 CH2 TRP A 70 -2.254 -3.356 -5.569 1.00 0.00 C ATOM 0 H TRP A 70 0.547 2.789 -3.287 1.00 0.00 H new ATOM 0 HA TRP A 70 -2.330 2.768 -2.577 1.00 0.00 H new ATOM 0 HB2 TRP A 70 -0.214 0.592 -2.486 1.00 0.00 H new ATOM 0 HB3 TRP A 70 -1.704 0.486 -1.569 1.00 0.00 H new ATOM 0 HD1 TRP A 70 -3.007 2.092 -4.457 1.00 0.00 H new ATOM 0 HE1 TRP A 70 -3.848 0.462 -6.281 1.00 0.00 H new ATOM 0 HE3 TRP A 70 -0.646 -2.137 -2.828 1.00 0.00 H new ATOM 0 HZ2 TRP A 70 -3.517 -2.262 -6.902 1.00 0.00 H new ATOM 0 HZ3 TRP A 70 -0.955 -4.226 -4.095 1.00 0.00 H new ATOM 0 HH2 TRP A 70 -2.373 -4.285 -6.106 1.00 0.00 H new ATOM 1043 N GLN A 71 -1.864 2.820 -0.051 1.00 0.00 N ATOM 1044 CA GLN A 71 -1.614 3.227 1.327 1.00 0.00 C ATOM 1045 C GLN A 71 -1.747 2.041 2.277 1.00 0.00 C ATOM 1046 O GLN A 71 -2.766 1.353 2.288 1.00 0.00 O ATOM 1047 CB GLN A 71 -2.584 4.336 1.738 1.00 0.00 C ATOM 1048 CG GLN A 71 -2.371 4.836 3.157 1.00 0.00 C ATOM 1049 CD GLN A 71 -3.162 6.094 3.458 1.00 0.00 C ATOM 1050 OE1 GLN A 71 -4.141 6.403 2.778 1.00 0.00 O ATOM 1051 NE2 GLN A 71 -2.741 6.827 4.482 1.00 0.00 N ATOM 0 H GLN A 71 -2.811 2.484 -0.227 1.00 0.00 H new ATOM 0 HA GLN A 71 -0.594 3.606 1.388 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -2.480 5.173 1.047 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -3.605 3.968 1.641 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -2.658 4.054 3.860 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -1.310 5.032 3.314 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -1.925 6.533 5.018 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -3.234 7.684 4.732 1.00 0.00 H new ATOM 1060 N GLY A 72 -0.708 1.809 3.074 1.00 0.00 N ATOM 1061 CA GLY A 72 -0.729 0.705 4.016 1.00 0.00 C ATOM 1062 C GLY A 72 -0.199 1.098 5.381 1.00 0.00 C ATOM 1063 O GLY A 72 0.204 2.241 5.591 1.00 0.00 O ATOM 0 H GLY A 72 0.147 2.365 3.084 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -1.750 0.338 4.118 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -0.132 -0.117 3.621 1.00 0.00 H new ATOM 1067 N GLU A 73 -0.200 0.148 6.311 1.00 0.00 N ATOM 1068 CA GLU A 73 0.283 0.402 7.663 1.00 0.00 C ATOM 1069 C GLU A 73 1.360 -0.605 8.055 1.00 0.00 C ATOM 1070 O GLU A 73 1.480 -1.669 7.447 1.00 0.00 O ATOM 1071 CB GLU A 73 -0.874 0.342 8.662 1.00 0.00 C ATOM 1072 CG GLU A 73 -1.406 -1.062 8.893 1.00 0.00 C ATOM 1073 CD GLU A 73 -2.075 -1.217 10.245 1.00 0.00 C ATOM 1074 OE1 GLU A 73 -1.700 -0.481 11.181 1.00 0.00 O ATOM 1075 OE2 GLU A 73 -2.973 -2.076 10.367 1.00 0.00 O ATOM 0 H GLU A 73 -0.530 -0.804 6.153 1.00 0.00 H new ATOM 0 HA GLU A 73 0.719 1.401 7.683 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -0.543 0.757 9.614 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -1.686 0.975 8.303 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -2.120 -1.310 8.108 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -0.585 -1.775 8.814 1.00 0.00 H new ATOM 1082 N ILE A 74 2.141 -0.261 9.073 1.00 0.00 N ATOM 1083 CA ILE A 74 3.208 -1.135 9.546 1.00 0.00 C ATOM 1084 C ILE A 74 3.526 -0.869 11.013 1.00 0.00 C ATOM 1085 O ILE A 74 4.160 0.131 11.350 1.00 0.00 O ATOM 1086 CB ILE A 74 4.492 -0.958 8.714 1.00 0.00 C ATOM 1087 CG1 ILE A 74 4.159 -0.943 7.220 1.00 0.00 C ATOM 1088 CG2 ILE A 74 5.484 -2.067 9.029 1.00 0.00 C ATOM 1089 CD1 ILE A 74 5.380 -0.883 6.330 1.00 0.00 C ATOM 0 H ILE A 74 2.055 0.616 9.586 1.00 0.00 H new ATOM 0 HA ILE A 74 2.850 -2.159 9.433 1.00 0.00 H new ATOM 0 HB ILE A 74 4.948 -0.003 8.976 1.00 0.00 H new ATOM 0 HG12 ILE A 74 3.584 -1.836 6.975 1.00 0.00 H new ATOM 0 HG13 ILE A 74 3.521 -0.085 7.007 1.00 0.00 H new ATOM 0 HG21 ILE A 74 6.386 -1.928 8.433 1.00 0.00 H new ATOM 0 HG22 ILE A 74 5.740 -2.036 10.088 1.00 0.00 H new ATOM 0 HG23 ILE A 74 5.038 -3.033 8.792 1.00 0.00 H new ATOM 0 HD11 ILE A 74 5.069 -0.875 5.285 1.00 0.00 H new ATOM 0 HD12 ILE A 74 5.944 0.024 6.547 1.00 0.00 H new ATOM 0 HD13 ILE A 74 6.008 -1.754 6.515 1.00 0.00 H new ATOM 1101 N ASN A 75 3.083 -1.771 11.883 1.00 0.00 N ATOM 1102 CA ASN A 75 3.322 -1.635 13.315 1.00 0.00 C ATOM 1103 C ASN A 75 2.789 -0.302 13.831 1.00 0.00 C ATOM 1104 O ASN A 75 3.464 0.400 14.582 1.00 0.00 O ATOM 1105 CB ASN A 75 4.818 -1.750 13.617 1.00 0.00 C ATOM 1106 CG ASN A 75 5.253 -3.184 13.847 1.00 0.00 C ATOM 1107 OD1 ASN A 75 4.901 -3.797 14.855 1.00 0.00 O ATOM 1108 ND2 ASN A 75 6.023 -3.726 12.911 1.00 0.00 N ATOM 0 H ASN A 75 2.556 -2.604 11.621 1.00 0.00 H new ATOM 0 HA ASN A 75 2.792 -2.440 13.825 1.00 0.00 H new ATOM 0 HB2 ASN A 75 5.387 -1.329 12.788 1.00 0.00 H new ATOM 0 HB3 ASN A 75 5.054 -1.156 14.500 1.00 0.00 H new ATOM 0 HD21 ASN A 75 6.347 -4.688 13.011 1.00 0.00 H new ATOM 0 HD22 ASN A 75 6.290 -3.181 12.092 1.00 0.00 H new ATOM 1115 N GLY A 76 1.571 0.040 13.422 1.00 0.00 N ATOM 1116 CA GLY A 76 0.966 1.287 13.853 1.00 0.00 C ATOM 1117 C GLY A 76 1.501 2.484 13.091 1.00 0.00 C ATOM 1118 O GLY A 76 1.221 3.629 13.444 1.00 0.00 O ATOM 0 H GLY A 76 0.992 -0.524 12.800 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -0.114 1.228 13.720 1.00 0.00 H new ATOM 0 HA3 GLY A 76 1.149 1.427 14.918 1.00 0.00 H new ATOM 1122 N VAL A 77 2.274 2.219 12.042 1.00 0.00 N ATOM 1123 CA VAL A 77 2.849 3.283 11.229 1.00 0.00 C ATOM 1124 C VAL A 77 2.156 3.375 9.874 1.00 0.00 C ATOM 1125 O VAL A 77 1.836 2.358 9.257 1.00 0.00 O ATOM 1126 CB VAL A 77 4.358 3.067 11.008 1.00 0.00 C ATOM 1127 CG1 VAL A 77 4.601 2.233 9.759 1.00 0.00 C ATOM 1128 CG2 VAL A 77 5.080 4.403 10.915 1.00 0.00 C ATOM 0 H VAL A 77 2.516 1.277 11.736 1.00 0.00 H new ATOM 0 HA VAL A 77 2.699 4.215 11.775 1.00 0.00 H new ATOM 0 HB VAL A 77 4.758 2.523 11.863 1.00 0.00 H new ATOM 0 HG11 VAL A 77 5.673 2.091 9.619 1.00 0.00 H new ATOM 0 HG12 VAL A 77 4.118 1.262 9.870 1.00 0.00 H new ATOM 0 HG13 VAL A 77 4.187 2.747 8.892 1.00 0.00 H new ATOM 0 HG21 VAL A 77 6.145 4.231 10.759 1.00 0.00 H new ATOM 0 HG22 VAL A 77 4.679 4.976 10.079 1.00 0.00 H new ATOM 0 HG23 VAL A 77 4.934 4.960 11.840 1.00 0.00 H new ATOM 1138 N THR A 78 1.928 4.601 9.414 1.00 0.00 N ATOM 1139 CA THR A 78 1.272 4.827 8.132 1.00 0.00 C ATOM 1140 C THR A 78 2.126 5.706 7.226 1.00 0.00 C ATOM 1141 O THR A 78 2.893 6.543 7.699 1.00 0.00 O ATOM 1142 CB THR A 78 -0.108 5.486 8.316 1.00 0.00 C ATOM 1143 OG1 THR A 78 0.016 6.671 9.109 1.00 0.00 O ATOM 1144 CG2 THR A 78 -1.082 4.524 8.980 1.00 0.00 C ATOM 0 H THR A 78 2.188 5.453 9.910 1.00 0.00 H new ATOM 0 HA THR A 78 1.140 3.850 7.667 1.00 0.00 H new ATOM 0 HB THR A 78 -0.495 5.748 7.331 1.00 0.00 H new ATOM 0 HG1 THR A 78 -0.866 7.084 9.219 1.00 0.00 H new ATOM 0 HG21 THR A 78 -2.050 5.011 9.100 1.00 0.00 H new ATOM 0 HG22 THR A 78 -1.197 3.636 8.358 1.00 0.00 H new ATOM 0 HG23 THR A 78 -0.698 4.235 9.958 1.00 0.00 H new ATOM 1152 N GLY A 79 1.986 5.512 5.918 1.00 0.00 N ATOM 1153 CA GLY A 79 2.751 6.295 4.965 1.00 0.00 C ATOM 1154 C GLY A 79 2.227 6.158 3.549 1.00 0.00 C ATOM 1155 O GLY A 79 1.035 5.929 3.339 1.00 0.00 O ATOM 0 H GLY A 79 1.356 4.826 5.501 1.00 0.00 H new ATOM 0 HA2 GLY A 79 2.726 7.344 5.258 1.00 0.00 H new ATOM 0 HA3 GLY A 79 3.794 5.980 4.995 1.00 0.00 H new ATOM 1159 N LEU A 80 3.119 6.300 2.574 1.00 0.00 N ATOM 1160 CA LEU A 80 2.740 6.193 1.170 1.00 0.00 C ATOM 1161 C LEU A 80 3.763 5.371 0.392 1.00 0.00 C ATOM 1162 O LEU A 80 4.960 5.421 0.675 1.00 0.00 O ATOM 1163 CB LEU A 80 2.608 7.584 0.549 1.00 0.00 C ATOM 1164 CG LEU A 80 1.494 8.467 1.111 1.00 0.00 C ATOM 1165 CD1 LEU A 80 1.648 9.899 0.621 1.00 0.00 C ATOM 1166 CD2 LEU A 80 0.129 7.914 0.726 1.00 0.00 C ATOM 0 H LEU A 80 4.109 6.489 2.730 1.00 0.00 H new ATOM 0 HA LEU A 80 1.777 5.686 1.117 1.00 0.00 H new ATOM 0 HB2 LEU A 80 3.556 8.107 0.673 1.00 0.00 H new ATOM 0 HB3 LEU A 80 2.446 7.468 -0.523 1.00 0.00 H new ATOM 0 HG LEU A 80 1.571 8.467 2.198 1.00 0.00 H new ATOM 0 HD11 LEU A 80 0.846 10.512 1.032 1.00 0.00 H new ATOM 0 HD12 LEU A 80 2.610 10.294 0.947 1.00 0.00 H new ATOM 0 HD13 LEU A 80 1.598 9.918 -0.468 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -0.652 8.555 1.135 1.00 0.00 H new ATOM 0 HD22 LEU A 80 0.042 7.883 -0.360 1.00 0.00 H new ATOM 0 HD23 LEU A 80 0.018 6.907 1.127 1.00 0.00 H new ATOM 1178 N PHE A 81 3.283 4.616 -0.591 1.00 0.00 N ATOM 1179 CA PHE A 81 4.155 3.784 -1.412 1.00 0.00 C ATOM 1180 C PHE A 81 3.448 3.353 -2.693 1.00 0.00 C ATOM 1181 O PHE A 81 2.223 3.251 -2.752 1.00 0.00 O ATOM 1182 CB PHE A 81 4.607 2.552 -0.626 1.00 0.00 C ATOM 1183 CG PHE A 81 3.471 1.776 -0.022 1.00 0.00 C ATOM 1184 CD1 PHE A 81 2.550 1.130 -0.830 1.00 0.00 C ATOM 1185 CD2 PHE A 81 3.325 1.693 1.353 1.00 0.00 C ATOM 1186 CE1 PHE A 81 1.503 0.415 -0.278 1.00 0.00 C ATOM 1187 CE2 PHE A 81 2.282 0.979 1.911 1.00 0.00 C ATOM 1188 CZ PHE A 81 1.369 0.341 1.094 1.00 0.00 C ATOM 0 H PHE A 81 2.295 4.563 -0.838 1.00 0.00 H new ATOM 0 HA PHE A 81 5.030 4.375 -1.683 1.00 0.00 H new ATOM 0 HB2 PHE A 81 5.173 1.896 -1.288 1.00 0.00 H new ATOM 0 HB3 PHE A 81 5.285 2.866 0.168 1.00 0.00 H new ATOM 0 HD1 PHE A 81 2.651 1.185 -1.904 1.00 0.00 H new ATOM 0 HD2 PHE A 81 4.035 2.192 1.996 1.00 0.00 H new ATOM 0 HE1 PHE A 81 0.792 -0.085 -0.919 1.00 0.00 H new ATOM 0 HE2 PHE A 81 2.181 0.920 2.985 1.00 0.00 H new ATOM 0 HZ PHE A 81 0.551 -0.215 1.528 1.00 0.00 H new ATOM 1198 N PRO A 82 4.238 3.093 -3.746 1.00 0.00 N ATOM 1199 CA PRO A 82 3.710 2.669 -5.046 1.00 0.00 C ATOM 1200 C PRO A 82 3.135 1.257 -5.005 1.00 0.00 C ATOM 1201 O PRO A 82 3.591 0.412 -4.235 1.00 0.00 O ATOM 1202 CB PRO A 82 4.937 2.720 -5.960 1.00 0.00 C ATOM 1203 CG PRO A 82 6.099 2.543 -5.045 1.00 0.00 C ATOM 1204 CD PRO A 82 5.707 3.193 -3.748 1.00 0.00 C ATOM 0 HA PRO A 82 2.887 3.302 -5.378 1.00 0.00 H new ATOM 0 HB2 PRO A 82 4.903 1.933 -6.713 1.00 0.00 H new ATOM 0 HB3 PRO A 82 4.994 3.669 -6.493 1.00 0.00 H new ATOM 0 HG2 PRO A 82 6.324 1.486 -4.900 1.00 0.00 H new ATOM 0 HG3 PRO A 82 6.995 3.006 -5.458 1.00 0.00 H new ATOM 0 HD2 PRO A 82 6.146 2.679 -2.893 1.00 0.00 H new ATOM 0 HD3 PRO A 82 6.039 4.230 -3.702 1.00 0.00 H new ATOM 1212 N SER A 83 2.131 1.008 -5.840 1.00 0.00 N ATOM 1213 CA SER A 83 1.491 -0.301 -5.896 1.00 0.00 C ATOM 1214 C SER A 83 2.372 -1.305 -6.632 1.00 0.00 C ATOM 1215 O SER A 83 1.975 -2.447 -6.859 1.00 0.00 O ATOM 1216 CB SER A 83 0.130 -0.197 -6.588 1.00 0.00 C ATOM 1217 OG SER A 83 -0.234 -1.430 -7.184 1.00 0.00 O ATOM 0 H SER A 83 1.744 1.695 -6.487 1.00 0.00 H new ATOM 0 HA SER A 83 1.346 -0.651 -4.874 1.00 0.00 H new ATOM 0 HB2 SER A 83 -0.629 0.098 -5.863 1.00 0.00 H new ATOM 0 HB3 SER A 83 0.164 0.583 -7.349 1.00 0.00 H new ATOM 0 HG SER A 83 -0.854 -1.908 -6.594 1.00 0.00 H new ATOM 1223 N ASN A 84 3.572 -0.870 -7.002 1.00 0.00 N ATOM 1224 CA ASN A 84 4.512 -1.730 -7.713 1.00 0.00 C ATOM 1225 C ASN A 84 5.573 -2.278 -6.764 1.00 0.00 C ATOM 1226 O ASN A 84 6.253 -3.257 -7.074 1.00 0.00 O ATOM 1227 CB ASN A 84 5.180 -0.959 -8.853 1.00 0.00 C ATOM 1228 CG ASN A 84 4.184 -0.497 -9.899 1.00 0.00 C ATOM 1229 OD1 ASN A 84 2.978 -0.698 -9.756 1.00 0.00 O ATOM 1230 ND2 ASN A 84 4.686 0.127 -10.959 1.00 0.00 N ATOM 0 H ASN A 84 3.917 0.073 -6.821 1.00 0.00 H new ATOM 0 HA ASN A 84 3.954 -2.569 -8.129 1.00 0.00 H new ATOM 0 HB2 ASN A 84 5.703 -0.094 -8.446 1.00 0.00 H new ATOM 0 HB3 ASN A 84 5.931 -1.592 -9.325 1.00 0.00 H new ATOM 0 HD21 ASN A 84 4.065 0.461 -11.696 1.00 0.00 H new ATOM 0 HD22 ASN A 84 5.693 0.272 -11.036 1.00 0.00 H new ATOM 1237 N TYR A 85 5.710 -1.640 -5.607 1.00 0.00 N ATOM 1238 CA TYR A 85 6.690 -2.061 -4.612 1.00 0.00 C ATOM 1239 C TYR A 85 6.090 -3.089 -3.658 1.00 0.00 C ATOM 1240 O TYR A 85 6.731 -3.505 -2.692 1.00 0.00 O ATOM 1241 CB TYR A 85 7.200 -0.853 -3.825 1.00 0.00 C ATOM 1242 CG TYR A 85 8.415 -0.198 -4.440 1.00 0.00 C ATOM 1243 CD1 TYR A 85 8.338 0.433 -5.676 1.00 0.00 C ATOM 1244 CD2 TYR A 85 9.641 -0.209 -3.786 1.00 0.00 C ATOM 1245 CE1 TYR A 85 9.447 1.032 -6.242 1.00 0.00 C ATOM 1246 CE2 TYR A 85 10.754 0.389 -4.344 1.00 0.00 C ATOM 1247 CZ TYR A 85 10.652 1.008 -5.573 1.00 0.00 C ATOM 1248 OH TYR A 85 11.758 1.605 -6.133 1.00 0.00 O ATOM 0 H TYR A 85 5.155 -0.829 -5.335 1.00 0.00 H new ATOM 0 HA TYR A 85 7.527 -2.524 -5.136 1.00 0.00 H new ATOM 0 HB2 TYR A 85 6.400 -0.116 -3.748 1.00 0.00 H new ATOM 0 HB3 TYR A 85 7.442 -1.167 -2.810 1.00 0.00 H new ATOM 0 HD1 TYR A 85 7.395 0.455 -6.203 1.00 0.00 H new ATOM 0 HD2 TYR A 85 9.725 -0.694 -2.825 1.00 0.00 H new ATOM 0 HE1 TYR A 85 9.370 1.517 -7.204 1.00 0.00 H new ATOM 0 HE2 TYR A 85 11.699 0.372 -3.821 1.00 0.00 H new ATOM 0 HH TYR A 85 12.526 1.499 -5.533 1.00 0.00 H new ATOM 1258 N VAL A 86 4.855 -3.495 -3.936 1.00 0.00 N ATOM 1259 CA VAL A 86 4.168 -4.475 -3.104 1.00 0.00 C ATOM 1260 C VAL A 86 3.500 -5.548 -3.957 1.00 0.00 C ATOM 1261 O VAL A 86 3.172 -5.317 -5.121 1.00 0.00 O ATOM 1262 CB VAL A 86 3.103 -3.808 -2.213 1.00 0.00 C ATOM 1263 CG1 VAL A 86 3.731 -2.718 -1.357 1.00 0.00 C ATOM 1264 CG2 VAL A 86 1.974 -3.246 -3.062 1.00 0.00 C ATOM 0 H VAL A 86 4.310 -3.160 -4.731 1.00 0.00 H new ATOM 0 HA VAL A 86 4.925 -4.937 -2.470 1.00 0.00 H new ATOM 0 HB VAL A 86 2.685 -4.564 -1.548 1.00 0.00 H new ATOM 0 HG11 VAL A 86 2.964 -2.258 -0.734 1.00 0.00 H new ATOM 0 HG12 VAL A 86 4.502 -3.154 -0.721 1.00 0.00 H new ATOM 0 HG13 VAL A 86 4.177 -1.961 -2.002 1.00 0.00 H new ATOM 0 HG21 VAL A 86 1.231 -2.779 -2.416 1.00 0.00 H new ATOM 0 HG22 VAL A 86 2.373 -2.503 -3.753 1.00 0.00 H new ATOM 0 HG23 VAL A 86 1.507 -4.053 -3.627 1.00 0.00 H new ATOM 1274 N LYS A 87 3.300 -6.723 -3.370 1.00 0.00 N ATOM 1275 CA LYS A 87 2.670 -7.833 -4.075 1.00 0.00 C ATOM 1276 C LYS A 87 1.667 -8.549 -3.175 1.00 0.00 C ATOM 1277 O LYS A 87 2.039 -9.144 -2.165 1.00 0.00 O ATOM 1278 CB LYS A 87 3.730 -8.823 -4.562 1.00 0.00 C ATOM 1279 CG LYS A 87 3.317 -9.596 -5.803 1.00 0.00 C ATOM 1280 CD LYS A 87 3.406 -8.735 -7.052 1.00 0.00 C ATOM 1281 CE LYS A 87 2.521 -9.274 -8.165 1.00 0.00 C ATOM 1282 NZ LYS A 87 3.242 -10.260 -9.017 1.00 0.00 N ATOM 0 H LYS A 87 3.565 -6.931 -2.407 1.00 0.00 H new ATOM 0 HA LYS A 87 2.137 -7.428 -4.935 1.00 0.00 H new ATOM 0 HB2 LYS A 87 4.652 -8.281 -4.772 1.00 0.00 H new ATOM 0 HB3 LYS A 87 3.951 -9.529 -3.761 1.00 0.00 H new ATOM 0 HG2 LYS A 87 3.957 -10.471 -5.917 1.00 0.00 H new ATOM 0 HG3 LYS A 87 2.297 -9.960 -5.683 1.00 0.00 H new ATOM 0 HD2 LYS A 87 3.110 -7.714 -6.813 1.00 0.00 H new ATOM 0 HD3 LYS A 87 4.440 -8.695 -7.395 1.00 0.00 H new ATOM 0 HE2 LYS A 87 1.639 -9.745 -7.732 1.00 0.00 H new ATOM 0 HE3 LYS A 87 2.170 -8.447 -8.783 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 2.606 -10.604 -9.764 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 4.070 -9.804 -9.451 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 3.555 -11.061 -8.432 1.00 0.00 H new