USER MOD reduce.3.24.130724 H: found=0, std=0, add=375, rem=0, adj=12 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 36 GLN : amide:sc= -6.1! C(o=-8.8!,f=-18!) USER MOD Set 1.2: A 60 ASN :FLIP amide:sc= -2.7! C(o=-10!,f=-8.8!) USER MOD Set 2.1: A 40 MET CE :methyl -119:sc= -4.75! (180deg=-10.4!) USER MOD Set 2.2: A 41 TYR OH : rot 180:sc= -0.589 USER MOD Single : A 35 CYS SG : rot 30:sc= 0.437 USER MOD Single : A 43 TYR OH : rot -105:sc= 0.316 USER MOD Single : A 52 SER OG : rot 30:sc= 0.711 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= -0.732 K(o=-0.73,f=-3.7!) USER MOD Single : A 62 MET CE :methyl -174:sc= 0 (180deg=-0.0349) USER MOD Single : A 63 ASN : amide:sc= -0.461 K(o=-0.46,f=-2.4!) USER MOD Single : A 64 LYS NZ :NH3+ -126:sc= -0.152 (180deg=-1.08) USER MOD Single : A 71 GLN : amide:sc=-0.00804 K(o=-0.008,f=-1.1) USER MOD Single : A 75 ASN : amide:sc= 0 X(o=0,f=-0.12) USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 83 SER OG : rot -115:sc= 0.969 USER MOD Single : A 84 ASN : amide:sc= -0.37 X(o=-0.37,f=0) 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 -8.462 -3.003 3.218 1.00 0.00 N ATOM 468 CA VAL A 34 -9.098 -3.588 2.044 1.00 0.00 C ATOM 469 C VAL A 34 -8.407 -4.882 1.632 1.00 0.00 C ATOM 470 O VAL A 34 -9.045 -5.802 1.118 1.00 0.00 O ATOM 471 CB VAL A 34 -9.086 -2.610 0.854 1.00 0.00 C ATOM 472 CG1 VAL A 34 -10.042 -1.454 1.102 1.00 0.00 C ATOM 473 CG2 VAL A 34 -7.675 -2.101 0.598 1.00 0.00 C ATOM 0 HA VAL A 34 -10.131 -3.803 2.317 1.00 0.00 H new ATOM 0 HB VAL A 34 -9.423 -3.143 -0.035 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -10.019 -0.774 0.250 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -11.053 -1.840 1.232 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -9.740 -0.918 2.002 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -7.685 -1.411 -0.246 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -7.308 -1.584 1.485 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -7.020 -2.942 0.371 1.00 0.00 H new ATOM 483 N CYS A 35 -7.100 -4.948 1.860 1.00 0.00 N ATOM 484 CA CYS A 35 -6.321 -6.131 1.512 1.00 0.00 C ATOM 485 C CYS A 35 -4.946 -6.090 2.171 1.00 0.00 C ATOM 486 O CYS A 35 -4.549 -5.071 2.735 1.00 0.00 O ATOM 487 CB CYS A 35 -6.170 -6.238 -0.006 1.00 0.00 C ATOM 488 SG CYS A 35 -7.503 -7.150 -0.818 1.00 0.00 S ATOM 0 H CYS A 35 -6.557 -4.196 2.284 1.00 0.00 H new ATOM 0 HA CYS A 35 -6.853 -7.008 1.880 1.00 0.00 H new ATOM 0 HB2 CYS A 35 -6.122 -5.234 -0.427 1.00 0.00 H new ATOM 0 HB3 CYS A 35 -5.221 -6.724 -0.233 1.00 0.00 H new ATOM 0 HG CYS A 35 -8.603 -7.004 -0.141 1.00 0.00 H new ATOM 494 N GLN A 36 -4.227 -7.205 2.096 1.00 0.00 N ATOM 495 CA GLN A 36 -2.897 -7.296 2.688 1.00 0.00 C ATOM 496 C GLN A 36 -1.848 -7.600 1.624 1.00 0.00 C ATOM 497 O GLN A 36 -2.032 -8.487 0.790 1.00 0.00 O ATOM 498 CB GLN A 36 -2.871 -8.376 3.770 1.00 0.00 C ATOM 499 CG GLN A 36 -1.529 -8.499 4.474 1.00 0.00 C ATOM 500 CD GLN A 36 -1.427 -7.607 5.695 1.00 0.00 C ATOM 501 OE1 GLN A 36 -1.773 -6.426 5.646 1.00 0.00 O ATOM 502 NE2 GLN A 36 -0.950 -8.168 6.801 1.00 0.00 N ATOM 0 H GLN A 36 -4.542 -8.057 1.632 1.00 0.00 H new ATOM 0 HA GLN A 36 -2.661 -6.333 3.140 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -3.641 -8.157 4.509 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -3.125 -9.336 3.320 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -1.373 -9.536 4.772 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -0.732 -8.245 3.775 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -0.675 -9.150 6.797 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -0.859 -7.616 7.654 1.00 0.00 H new ATOM 511 N VAL A 37 -0.745 -6.857 1.657 1.00 0.00 N ATOM 512 CA VAL A 37 0.334 -7.048 0.696 1.00 0.00 C ATOM 513 C VAL A 37 1.688 -7.102 1.395 1.00 0.00 C ATOM 514 O VAL A 37 1.793 -6.827 2.590 1.00 0.00 O ATOM 515 CB VAL A 37 0.356 -5.922 -0.355 1.00 0.00 C ATOM 516 CG1 VAL A 37 -0.982 -5.836 -1.073 1.00 0.00 C ATOM 517 CG2 VAL A 37 0.707 -4.593 0.297 1.00 0.00 C ATOM 0 H VAL A 37 -0.576 -6.118 2.339 1.00 0.00 H new ATOM 0 HA VAL A 37 0.148 -7.998 0.195 1.00 0.00 H new ATOM 0 HB VAL A 37 1.123 -6.152 -1.094 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -0.948 -5.035 -1.812 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -1.188 -6.782 -1.573 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -1.771 -5.629 -0.350 1.00 0.00 H new ATOM 0 HG21 VAL A 37 0.718 -3.808 -0.459 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -0.036 -4.353 1.057 1.00 0.00 H new ATOM 0 HG23 VAL A 37 1.691 -4.664 0.761 1.00 0.00 H new ATOM 527 N ILE A 38 2.723 -7.458 0.641 1.00 0.00 N ATOM 528 CA ILE A 38 4.071 -7.546 1.187 1.00 0.00 C ATOM 529 C ILE A 38 5.054 -6.723 0.362 1.00 0.00 C ATOM 530 O ILE A 38 4.892 -6.575 -0.849 1.00 0.00 O ATOM 531 CB ILE A 38 4.562 -9.005 1.243 1.00 0.00 C ATOM 532 CG1 ILE A 38 5.625 -9.168 2.331 1.00 0.00 C ATOM 533 CG2 ILE A 38 5.111 -9.431 -0.111 1.00 0.00 C ATOM 534 CD1 ILE A 38 5.648 -10.547 2.952 1.00 0.00 C ATOM 0 H ILE A 38 2.653 -7.690 -0.350 1.00 0.00 H new ATOM 0 HA ILE A 38 4.027 -7.146 2.200 1.00 0.00 H new ATOM 0 HB ILE A 38 3.717 -9.648 1.489 1.00 0.00 H new ATOM 0 HG12 ILE A 38 6.605 -8.954 1.905 1.00 0.00 H new ATOM 0 HG13 ILE A 38 5.449 -8.429 3.113 1.00 0.00 H new ATOM 0 HG21 ILE A 38 5.454 -10.464 -0.056 1.00 0.00 H new ATOM 0 HG22 ILE A 38 4.327 -9.349 -0.864 1.00 0.00 H new ATOM 0 HG23 ILE A 38 5.946 -8.786 -0.385 1.00 0.00 H new ATOM 0 HD11 ILE A 38 6.426 -10.590 3.715 1.00 0.00 H new ATOM 0 HD12 ILE A 38 4.681 -10.757 3.408 1.00 0.00 H new ATOM 0 HD13 ILE A 38 5.854 -11.290 2.181 1.00 0.00 H new ATOM 546 N ALA A 39 6.074 -6.190 1.026 1.00 0.00 N ATOM 547 CA ALA A 39 7.086 -5.384 0.354 1.00 0.00 C ATOM 548 C ALA A 39 7.989 -6.251 -0.517 1.00 0.00 C ATOM 549 O ALA A 39 8.528 -7.257 -0.058 1.00 0.00 O ATOM 550 CB ALA A 39 7.913 -4.616 1.375 1.00 0.00 C ATOM 0 H ALA A 39 6.222 -6.302 2.029 1.00 0.00 H new ATOM 0 HA ALA A 39 6.576 -4.671 -0.294 1.00 0.00 H new ATOM 0 HB1 ALA A 39 8.665 -4.019 0.859 1.00 0.00 H new ATOM 0 HB2 ALA A 39 7.261 -3.960 1.952 1.00 0.00 H new ATOM 0 HB3 ALA A 39 8.406 -5.319 2.046 1.00 0.00 H new ATOM 556 N MET A 40 8.148 -5.854 -1.775 1.00 0.00 N ATOM 557 CA MET A 40 8.986 -6.596 -2.710 1.00 0.00 C ATOM 558 C MET A 40 10.448 -6.183 -2.574 1.00 0.00 C ATOM 559 O MET A 40 11.347 -7.024 -2.619 1.00 0.00 O ATOM 560 CB MET A 40 8.511 -6.367 -4.146 1.00 0.00 C ATOM 561 CG MET A 40 7.213 -7.087 -4.479 1.00 0.00 C ATOM 562 SD MET A 40 7.033 -7.415 -6.243 1.00 0.00 S ATOM 563 CE MET A 40 7.196 -5.761 -6.913 1.00 0.00 C ATOM 0 H MET A 40 7.708 -5.023 -2.171 1.00 0.00 H new ATOM 0 HA MET A 40 8.902 -7.656 -2.472 1.00 0.00 H new ATOM 0 HB2 MET A 40 8.376 -5.298 -4.309 1.00 0.00 H new ATOM 0 HB3 MET A 40 9.288 -6.699 -4.834 1.00 0.00 H new ATOM 0 HG2 MET A 40 7.174 -8.029 -3.932 1.00 0.00 H new ATOM 0 HG3 MET A 40 6.371 -6.486 -4.137 1.00 0.00 H new ATOM 0 HE1 MET A 40 6.281 -5.490 -7.440 1.00 0.00 H new ATOM 0 HE2 MET A 40 7.369 -5.055 -6.101 1.00 0.00 H new ATOM 0 HE3 MET A 40 8.037 -5.730 -7.606 1.00 0.00 H new ATOM 573 N TYR A 41 10.679 -4.886 -2.409 1.00 0.00 N ATOM 574 CA TYR A 41 12.033 -4.362 -2.270 1.00 0.00 C ATOM 575 C TYR A 41 12.121 -3.384 -1.102 1.00 0.00 C ATOM 576 O TYR A 41 11.134 -2.745 -0.737 1.00 0.00 O ATOM 577 CB TYR A 41 12.470 -3.671 -3.562 1.00 0.00 C ATOM 578 CG TYR A 41 11.876 -4.287 -4.809 1.00 0.00 C ATOM 579 CD1 TYR A 41 10.657 -3.849 -5.311 1.00 0.00 C ATOM 580 CD2 TYR A 41 12.534 -5.307 -5.485 1.00 0.00 C ATOM 581 CE1 TYR A 41 10.110 -4.408 -6.449 1.00 0.00 C ATOM 582 CE2 TYR A 41 11.995 -5.872 -6.625 1.00 0.00 C ATOM 583 CZ TYR A 41 10.783 -5.419 -7.103 1.00 0.00 C ATOM 584 OH TYR A 41 10.243 -5.980 -8.237 1.00 0.00 O ATOM 0 H TYR A 41 9.946 -4.177 -2.368 1.00 0.00 H new ATOM 0 HA TYR A 41 12.701 -5.200 -2.070 1.00 0.00 H new ATOM 0 HB2 TYR A 41 12.186 -2.620 -3.516 1.00 0.00 H new ATOM 0 HB3 TYR A 41 13.557 -3.705 -3.633 1.00 0.00 H new ATOM 0 HD1 TYR A 41 10.128 -3.057 -4.802 1.00 0.00 H new ATOM 0 HD2 TYR A 41 13.483 -5.664 -5.113 1.00 0.00 H new ATOM 0 HE1 TYR A 41 9.161 -4.056 -6.825 1.00 0.00 H new ATOM 0 HE2 TYR A 41 12.520 -6.664 -7.139 1.00 0.00 H new ATOM 0 HH TYR A 41 10.843 -6.677 -8.575 1.00 0.00 H new ATOM 594 N ASP A 42 13.310 -3.273 -0.521 1.00 0.00 N ATOM 595 CA ASP A 42 13.530 -2.372 0.604 1.00 0.00 C ATOM 596 C ASP A 42 13.219 -0.930 0.215 1.00 0.00 C ATOM 597 O ASP A 42 14.043 -0.251 -0.398 1.00 0.00 O ATOM 598 CB ASP A 42 14.974 -2.480 1.098 1.00 0.00 C ATOM 599 CG ASP A 42 15.960 -2.673 -0.037 1.00 0.00 C ATOM 600 OD1 ASP A 42 15.898 -1.900 -1.016 1.00 0.00 O ATOM 601 OD2 ASP A 42 16.795 -3.598 0.054 1.00 0.00 O ATOM 0 H ASP A 42 14.137 -3.796 -0.810 1.00 0.00 H new ATOM 0 HA ASP A 42 12.856 -2.666 1.409 1.00 0.00 H new ATOM 0 HB2 ASP A 42 15.234 -1.578 1.652 1.00 0.00 H new ATOM 0 HB3 ASP A 42 15.056 -3.316 1.793 1.00 0.00 H new ATOM 606 N TYR A 43 12.026 -0.469 0.574 1.00 0.00 N ATOM 607 CA TYR A 43 11.605 0.891 0.260 1.00 0.00 C ATOM 608 C TYR A 43 12.072 1.868 1.334 1.00 0.00 C ATOM 609 O TYR A 43 11.909 1.619 2.528 1.00 0.00 O ATOM 610 CB TYR A 43 10.084 0.957 0.121 1.00 0.00 C ATOM 611 CG TYR A 43 9.597 2.167 -0.644 1.00 0.00 C ATOM 612 CD1 TYR A 43 9.748 3.447 -0.126 1.00 0.00 C ATOM 613 CD2 TYR A 43 8.987 2.030 -1.885 1.00 0.00 C ATOM 614 CE1 TYR A 43 9.305 4.556 -0.821 1.00 0.00 C ATOM 615 CE2 TYR A 43 8.542 3.133 -2.587 1.00 0.00 C ATOM 616 CZ TYR A 43 8.703 4.393 -2.052 1.00 0.00 C ATOM 617 OH TYR A 43 8.259 5.495 -2.748 1.00 0.00 O ATOM 0 H TYR A 43 11.333 -1.018 1.083 1.00 0.00 H new ATOM 0 HA TYR A 43 12.062 1.176 -0.688 1.00 0.00 H new ATOM 0 HB2 TYR A 43 9.734 0.055 -0.381 1.00 0.00 H new ATOM 0 HB3 TYR A 43 9.637 0.962 1.115 1.00 0.00 H new ATOM 0 HD1 TYR A 43 10.220 3.578 0.837 1.00 0.00 H new ATOM 0 HD2 TYR A 43 8.859 1.044 -2.308 1.00 0.00 H new ATOM 0 HE1 TYR A 43 9.429 5.544 -0.403 1.00 0.00 H new ATOM 0 HE2 TYR A 43 8.070 3.009 -3.551 1.00 0.00 H new ATOM 0 HH TYR A 43 7.281 5.542 -2.697 1.00 0.00 H new ATOM 627 N ALA A 44 12.653 2.981 0.900 1.00 0.00 N ATOM 628 CA ALA A 44 13.142 3.998 1.823 1.00 0.00 C ATOM 629 C ALA A 44 12.431 5.329 1.600 1.00 0.00 C ATOM 630 O ALA A 44 12.724 6.047 0.645 1.00 0.00 O ATOM 631 CB ALA A 44 14.646 4.169 1.672 1.00 0.00 C ATOM 0 H ALA A 44 12.797 3.202 -0.085 1.00 0.00 H new ATOM 0 HA ALA A 44 12.926 3.666 2.838 1.00 0.00 H new ATOM 0 HB1 ALA A 44 14.997 4.931 2.367 1.00 0.00 H new ATOM 0 HB2 ALA A 44 15.143 3.224 1.889 1.00 0.00 H new ATOM 0 HB3 ALA A 44 14.877 4.475 0.652 1.00 0.00 H new ATOM 637 N ALA A 45 11.495 5.651 2.487 1.00 0.00 N ATOM 638 CA ALA A 45 10.744 6.896 2.387 1.00 0.00 C ATOM 639 C ALA A 45 11.665 8.104 2.515 1.00 0.00 C ATOM 640 O ALA A 45 12.241 8.348 3.574 1.00 0.00 O ATOM 641 CB ALA A 45 9.657 6.943 3.451 1.00 0.00 C ATOM 0 H ALA A 45 11.239 5.067 3.283 1.00 0.00 H new ATOM 0 HA ALA A 45 10.276 6.932 1.403 1.00 0.00 H new ATOM 0 HB1 ALA A 45 9.104 7.878 3.365 1.00 0.00 H new ATOM 0 HB2 ALA A 45 8.975 6.104 3.312 1.00 0.00 H new ATOM 0 HB3 ALA A 45 10.112 6.881 4.439 1.00 0.00 H new ATOM 702 N GLU A 50 6.247 9.640 2.772 1.00 0.00 N ATOM 703 CA GLU A 50 6.343 8.262 2.305 1.00 0.00 C ATOM 704 C GLU A 50 6.531 7.302 3.476 1.00 0.00 C ATOM 705 O GLU A 50 6.695 7.726 4.621 1.00 0.00 O ATOM 706 CB GLU A 50 7.503 8.114 1.319 1.00 0.00 C ATOM 707 CG GLU A 50 7.277 8.834 0.000 1.00 0.00 C ATOM 708 CD GLU A 50 8.419 8.634 -0.978 1.00 0.00 C ATOM 709 OE1 GLU A 50 9.548 8.358 -0.521 1.00 0.00 O ATOM 710 OE2 GLU A 50 8.184 8.753 -2.198 1.00 0.00 O ATOM 0 HA GLU A 50 5.411 8.012 1.799 1.00 0.00 H new ATOM 0 HB2 GLU A 50 8.413 8.497 1.781 1.00 0.00 H new ATOM 0 HB3 GLU A 50 7.668 7.055 1.121 1.00 0.00 H new ATOM 0 HG2 GLU A 50 6.351 8.477 -0.451 1.00 0.00 H new ATOM 0 HG3 GLU A 50 7.149 9.900 0.190 1.00 0.00 H new ATOM 717 N LEU A 51 6.505 6.007 3.182 1.00 0.00 N ATOM 718 CA LEU A 51 6.672 4.986 4.210 1.00 0.00 C ATOM 719 C LEU A 51 7.991 4.241 4.029 1.00 0.00 C ATOM 720 O LEU A 51 8.269 3.703 2.957 1.00 0.00 O ATOM 721 CB LEU A 51 5.505 3.997 4.168 1.00 0.00 C ATOM 722 CG LEU A 51 5.071 3.414 5.514 1.00 0.00 C ATOM 723 CD1 LEU A 51 3.973 2.380 5.318 1.00 0.00 C ATOM 724 CD2 LEU A 51 6.261 2.800 6.237 1.00 0.00 C ATOM 0 H LEU A 51 6.370 5.639 2.240 1.00 0.00 H new ATOM 0 HA LEU A 51 6.686 5.482 5.181 1.00 0.00 H new ATOM 0 HB2 LEU A 51 4.647 4.497 3.717 1.00 0.00 H new ATOM 0 HB3 LEU A 51 5.777 3.173 3.508 1.00 0.00 H new ATOM 0 HG LEU A 51 4.675 4.223 6.129 1.00 0.00 H new ATOM 0 HD11 LEU A 51 3.677 1.976 6.286 1.00 0.00 H new ATOM 0 HD12 LEU A 51 3.112 2.849 4.842 1.00 0.00 H new ATOM 0 HD13 LEU A 51 4.342 1.573 4.686 1.00 0.00 H new ATOM 0 HD21 LEU A 51 5.934 2.390 7.193 1.00 0.00 H new ATOM 0 HD22 LEU A 51 6.686 2.003 5.627 1.00 0.00 H new ATOM 0 HD23 LEU A 51 7.016 3.566 6.410 1.00 0.00 H new ATOM 736 N SER A 52 8.798 4.213 5.084 1.00 0.00 N ATOM 737 CA SER A 52 10.089 3.535 5.041 1.00 0.00 C ATOM 738 C SER A 52 9.973 2.111 5.576 1.00 0.00 C ATOM 739 O SER A 52 9.694 1.900 6.757 1.00 0.00 O ATOM 740 CB SER A 52 11.125 4.315 5.854 1.00 0.00 C ATOM 741 OG SER A 52 10.761 4.373 7.222 1.00 0.00 O ATOM 0 H SER A 52 8.581 4.652 5.979 1.00 0.00 H new ATOM 0 HA SER A 52 10.413 3.488 4.001 1.00 0.00 H new ATOM 0 HB2 SER A 52 12.102 3.842 5.754 1.00 0.00 H new ATOM 0 HB3 SER A 52 11.218 5.325 5.456 1.00 0.00 H new ATOM 0 HG SER A 52 10.247 3.572 7.458 1.00 0.00 H new ATOM 747 N PHE A 53 10.188 1.137 4.699 1.00 0.00 N ATOM 748 CA PHE A 53 10.107 -0.268 5.081 1.00 0.00 C ATOM 749 C PHE A 53 11.153 -1.095 4.338 1.00 0.00 C ATOM 750 O PHE A 53 11.810 -0.604 3.420 1.00 0.00 O ATOM 751 CB PHE A 53 8.708 -0.817 4.794 1.00 0.00 C ATOM 752 CG PHE A 53 8.238 -0.556 3.391 1.00 0.00 C ATOM 753 CD1 PHE A 53 8.581 -1.415 2.360 1.00 0.00 C ATOM 754 CD2 PHE A 53 7.452 0.549 3.104 1.00 0.00 C ATOM 755 CE1 PHE A 53 8.151 -1.176 1.069 1.00 0.00 C ATOM 756 CE2 PHE A 53 7.018 0.792 1.815 1.00 0.00 C ATOM 757 CZ PHE A 53 7.367 -0.072 0.796 1.00 0.00 C ATOM 0 H PHE A 53 10.420 1.294 3.718 1.00 0.00 H new ATOM 0 HA PHE A 53 10.305 -0.340 6.150 1.00 0.00 H new ATOM 0 HB2 PHE A 53 8.704 -1.892 4.976 1.00 0.00 H new ATOM 0 HB3 PHE A 53 8.001 -0.372 5.494 1.00 0.00 H new ATOM 0 HD1 PHE A 53 9.191 -2.281 2.568 1.00 0.00 H new ATOM 0 HD2 PHE A 53 7.176 1.228 3.897 1.00 0.00 H new ATOM 0 HE1 PHE A 53 8.428 -1.852 0.274 1.00 0.00 H new ATOM 0 HE2 PHE A 53 6.406 1.657 1.605 1.00 0.00 H new ATOM 0 HZ PHE A 53 7.028 0.115 -0.212 1.00 0.00 H new ATOM 767 N SER A 54 11.300 -2.353 4.742 1.00 0.00 N ATOM 768 CA SER A 54 12.268 -3.247 4.118 1.00 0.00 C ATOM 769 C SER A 54 11.563 -4.392 3.396 1.00 0.00 C ATOM 770 O SER A 54 10.369 -4.622 3.589 1.00 0.00 O ATOM 771 CB SER A 54 13.228 -3.807 5.169 1.00 0.00 C ATOM 772 OG SER A 54 14.229 -2.860 5.501 1.00 0.00 O ATOM 0 H SER A 54 10.761 -2.776 5.498 1.00 0.00 H new ATOM 0 HA SER A 54 12.836 -2.673 3.386 1.00 0.00 H new ATOM 0 HB2 SER A 54 12.671 -4.082 6.065 1.00 0.00 H new ATOM 0 HB3 SER A 54 13.695 -4.717 4.792 1.00 0.00 H new ATOM 0 HG SER A 54 14.829 -3.241 6.176 1.00 0.00 H new ATOM 778 N LYS A 55 12.312 -5.107 2.563 1.00 0.00 N ATOM 779 CA LYS A 55 11.762 -6.230 1.812 1.00 0.00 C ATOM 780 C LYS A 55 11.136 -7.257 2.749 1.00 0.00 C ATOM 781 O LYS A 55 11.799 -7.782 3.643 1.00 0.00 O ATOM 782 CB LYS A 55 12.855 -6.891 0.970 1.00 0.00 C ATOM 783 CG LYS A 55 12.394 -8.148 0.254 1.00 0.00 C ATOM 784 CD LYS A 55 13.436 -8.638 -0.739 1.00 0.00 C ATOM 785 CE LYS A 55 13.318 -10.136 -0.976 1.00 0.00 C ATOM 786 NZ LYS A 55 14.529 -10.689 -1.643 1.00 0.00 N ATOM 0 H LYS A 55 13.301 -4.929 2.391 1.00 0.00 H new ATOM 0 HA LYS A 55 10.985 -5.847 1.151 1.00 0.00 H new ATOM 0 HB2 LYS A 55 13.217 -6.175 0.232 1.00 0.00 H new ATOM 0 HB3 LYS A 55 13.699 -7.139 1.614 1.00 0.00 H new ATOM 0 HG2 LYS A 55 12.190 -8.930 0.985 1.00 0.00 H new ATOM 0 HG3 LYS A 55 11.458 -7.948 -0.268 1.00 0.00 H new ATOM 0 HD2 LYS A 55 13.317 -8.108 -1.684 1.00 0.00 H new ATOM 0 HD3 LYS A 55 14.433 -8.405 -0.366 1.00 0.00 H new ATOM 0 HE2 LYS A 55 13.164 -10.643 -0.024 1.00 0.00 H new ATOM 0 HE3 LYS A 55 12.441 -10.339 -1.590 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 14.409 -11.712 -1.787 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 14.662 -10.223 -2.563 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 15.363 -10.519 -1.045 1.00 0.00 H new ATOM 800 N GLY A 56 9.854 -7.541 2.538 1.00 0.00 N ATOM 801 CA GLY A 56 9.161 -8.506 3.371 1.00 0.00 C ATOM 802 C GLY A 56 8.551 -7.874 4.607 1.00 0.00 C ATOM 803 O GLY A 56 8.480 -8.503 5.662 1.00 0.00 O ATOM 0 H GLY A 56 9.283 -7.120 1.805 1.00 0.00 H new ATOM 0 HA2 GLY A 56 8.376 -8.987 2.788 1.00 0.00 H new ATOM 0 HA3 GLY A 56 9.858 -9.288 3.673 1.00 0.00 H new ATOM 807 N GLN A 57 8.113 -6.626 4.476 1.00 0.00 N ATOM 808 CA GLN A 57 7.509 -5.908 5.592 1.00 0.00 C ATOM 809 C GLN A 57 5.997 -6.107 5.613 1.00 0.00 C ATOM 810 O GLN A 57 5.390 -6.439 4.594 1.00 0.00 O ATOM 811 CB GLN A 57 7.838 -4.417 5.504 1.00 0.00 C ATOM 812 CG GLN A 57 7.744 -3.694 6.838 1.00 0.00 C ATOM 813 CD GLN A 57 8.824 -4.123 7.811 1.00 0.00 C ATOM 814 OE1 GLN A 57 9.548 -5.089 7.567 1.00 0.00 O ATOM 815 NE2 GLN A 57 8.940 -3.405 8.922 1.00 0.00 N ATOM 0 H GLN A 57 8.165 -6.092 3.609 1.00 0.00 H new ATOM 0 HA GLN A 57 7.923 -6.310 6.517 1.00 0.00 H new ATOM 0 HB2 GLN A 57 8.846 -4.299 5.106 1.00 0.00 H new ATOM 0 HB3 GLN A 57 7.158 -3.944 4.795 1.00 0.00 H new ATOM 0 HG2 GLN A 57 7.817 -2.619 6.671 1.00 0.00 H new ATOM 0 HG3 GLN A 57 6.766 -3.882 7.281 1.00 0.00 H new ATOM 0 HE21 GLN A 57 8.319 -2.612 9.084 1.00 0.00 H new ATOM 0 HE22 GLN A 57 9.650 -3.646 9.613 1.00 0.00 H new ATOM 824 N LEU A 58 5.395 -5.903 6.779 1.00 0.00 N ATOM 825 CA LEU A 58 3.953 -6.061 6.933 1.00 0.00 C ATOM 826 C LEU A 58 3.215 -4.808 6.470 1.00 0.00 C ATOM 827 O LEU A 58 3.253 -3.772 7.134 1.00 0.00 O ATOM 828 CB LEU A 58 3.606 -6.360 8.393 1.00 0.00 C ATOM 829 CG LEU A 58 2.255 -5.836 8.882 1.00 0.00 C ATOM 830 CD1 LEU A 58 1.130 -6.353 7.999 1.00 0.00 C ATOM 831 CD2 LEU A 58 2.023 -6.233 10.333 1.00 0.00 C ATOM 0 H LEU A 58 5.883 -5.628 7.632 1.00 0.00 H new ATOM 0 HA LEU A 58 3.636 -6.898 6.311 1.00 0.00 H new ATOM 0 HB2 LEU A 58 3.628 -7.440 8.537 1.00 0.00 H new ATOM 0 HB3 LEU A 58 4.387 -5.938 9.025 1.00 0.00 H new ATOM 0 HG LEU A 58 2.265 -4.748 8.821 1.00 0.00 H new ATOM 0 HD11 LEU A 58 0.177 -5.970 8.363 1.00 0.00 H new ATOM 0 HD12 LEU A 58 1.289 -6.018 6.974 1.00 0.00 H new ATOM 0 HD13 LEU A 58 1.117 -7.443 8.027 1.00 0.00 H new ATOM 0 HD21 LEU A 58 1.057 -5.852 10.665 1.00 0.00 H new ATOM 0 HD22 LEU A 58 2.033 -7.320 10.419 1.00 0.00 H new ATOM 0 HD23 LEU A 58 2.812 -5.812 10.956 1.00 0.00 H new ATOM 843 N ILE A 59 2.544 -4.912 5.328 1.00 0.00 N ATOM 844 CA ILE A 59 1.796 -3.789 4.778 1.00 0.00 C ATOM 845 C ILE A 59 0.346 -4.175 4.506 1.00 0.00 C ATOM 846 O ILE A 59 0.072 -5.108 3.753 1.00 0.00 O ATOM 847 CB ILE A 59 2.431 -3.274 3.473 1.00 0.00 C ATOM 848 CG1 ILE A 59 3.834 -2.727 3.744 1.00 0.00 C ATOM 849 CG2 ILE A 59 1.553 -2.204 2.842 1.00 0.00 C ATOM 850 CD1 ILE A 59 4.668 -2.553 2.494 1.00 0.00 C ATOM 0 H ILE A 59 2.503 -5.762 4.766 1.00 0.00 H new ATOM 0 HA ILE A 59 1.825 -2.995 5.524 1.00 0.00 H new ATOM 0 HB ILE A 59 2.514 -4.106 2.774 1.00 0.00 H new ATOM 0 HG12 ILE A 59 3.748 -1.766 4.250 1.00 0.00 H new ATOM 0 HG13 ILE A 59 4.352 -3.401 4.426 1.00 0.00 H new ATOM 0 HG21 ILE A 59 2.016 -1.850 1.921 1.00 0.00 H new ATOM 0 HG22 ILE A 59 0.572 -2.624 2.618 1.00 0.00 H new ATOM 0 HG23 ILE A 59 1.441 -1.370 3.535 1.00 0.00 H new ATOM 0 HD11 ILE A 59 5.649 -2.162 2.763 1.00 0.00 H new ATOM 0 HD12 ILE A 59 4.785 -3.516 1.998 1.00 0.00 H new ATOM 0 HD13 ILE A 59 4.172 -1.855 1.820 1.00 0.00 H new ATOM 862 N ASN A 60 -0.580 -3.448 5.124 1.00 0.00 N ATOM 863 CA ASN A 60 -2.003 -3.714 4.947 1.00 0.00 C ATOM 864 C ASN A 60 -2.679 -2.575 4.189 1.00 0.00 C ATOM 865 O ASN A 60 -2.962 -1.520 4.756 1.00 0.00 O ATOM 866 CB ASN A 60 -2.679 -3.908 6.306 1.00 0.00 C ATOM 867 CG ASN A 60 -3.854 -4.865 6.236 1.00 0.00 C ATOM 868 OD1 ASN A 60 -4.703 -4.685 5.231 1.00 0.00 O flip ATOM 869 ND2 ASN A 60 -3.996 -5.754 7.075 1.00 0.00 N flip ATOM 0 H ASN A 60 -0.371 -2.671 5.751 1.00 0.00 H new ATOM 0 HA ASN A 60 -2.107 -4.628 4.362 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -1.949 -4.286 7.022 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -3.022 -2.943 6.679 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -3.318 -5.855 7.831 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -4.791 -6.390 7.015 1.00 0.00 H new ATOM 876 N VAL A 61 -2.936 -2.798 2.904 1.00 0.00 N ATOM 877 CA VAL A 61 -3.580 -1.792 2.068 1.00 0.00 C ATOM 878 C VAL A 61 -4.927 -1.376 2.648 1.00 0.00 C ATOM 879 O VAL A 61 -5.833 -2.198 2.791 1.00 0.00 O ATOM 880 CB VAL A 61 -3.789 -2.307 0.631 1.00 0.00 C ATOM 881 CG1 VAL A 61 -4.360 -1.208 -0.252 1.00 0.00 C ATOM 882 CG2 VAL A 61 -2.482 -2.836 0.060 1.00 0.00 C ATOM 0 H VAL A 61 -2.708 -3.666 2.419 1.00 0.00 H new ATOM 0 HA VAL A 61 -2.916 -0.928 2.044 1.00 0.00 H new ATOM 0 HB VAL A 61 -4.506 -3.128 0.658 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -4.501 -1.590 -1.263 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -5.319 -0.880 0.149 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -3.670 -0.365 -0.276 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -2.648 -3.196 -0.955 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -1.741 -2.036 0.045 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -2.119 -3.655 0.680 1.00 0.00 H new ATOM 892 N MET A 62 -5.053 -0.095 2.979 1.00 0.00 N ATOM 893 CA MET A 62 -6.291 0.430 3.542 1.00 0.00 C ATOM 894 C MET A 62 -7.104 1.163 2.479 1.00 0.00 C ATOM 895 O MET A 62 -8.333 1.111 2.479 1.00 0.00 O ATOM 896 CB MET A 62 -5.987 1.373 4.708 1.00 0.00 C ATOM 897 CG MET A 62 -5.134 0.739 5.794 1.00 0.00 C ATOM 898 SD MET A 62 -6.120 -0.056 7.077 1.00 0.00 S ATOM 899 CE MET A 62 -5.224 0.438 8.548 1.00 0.00 C ATOM 0 H MET A 62 -4.313 0.598 2.867 1.00 0.00 H new ATOM 0 HA MET A 62 -6.879 -0.411 3.908 1.00 0.00 H new ATOM 0 HB2 MET A 62 -5.477 2.257 4.326 1.00 0.00 H new ATOM 0 HB3 MET A 62 -6.926 1.711 5.146 1.00 0.00 H new ATOM 0 HG2 MET A 62 -4.469 0.002 5.344 1.00 0.00 H new ATOM 0 HG3 MET A 62 -4.503 1.503 6.248 1.00 0.00 H new ATOM 0 HE1 MET A 62 -5.649 -0.063 9.418 1.00 0.00 H new ATOM 0 HE2 MET A 62 -4.175 0.160 8.445 1.00 0.00 H new ATOM 0 HE3 MET A 62 -5.303 1.518 8.677 1.00 0.00 H new ATOM 909 N ASN A 63 -6.408 1.845 1.575 1.00 0.00 N ATOM 910 CA ASN A 63 -7.066 2.590 0.507 1.00 0.00 C ATOM 911 C ASN A 63 -6.228 2.567 -0.768 1.00 0.00 C ATOM 912 O ASN A 63 -5.214 3.258 -0.870 1.00 0.00 O ATOM 913 CB ASN A 63 -7.314 4.035 0.942 1.00 0.00 C ATOM 914 CG ASN A 63 -8.377 4.718 0.104 1.00 0.00 C ATOM 915 OD1 ASN A 63 -8.093 5.242 -0.973 1.00 0.00 O ATOM 916 ND2 ASN A 63 -9.611 4.714 0.596 1.00 0.00 N ATOM 0 H ASN A 63 -5.389 1.897 1.560 1.00 0.00 H new ATOM 0 HA ASN A 63 -8.023 2.111 0.300 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -7.616 4.049 1.989 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -6.383 4.597 0.871 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -10.369 5.157 0.077 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -9.801 4.267 1.493 1.00 0.00 H new ATOM 923 N LYS A 64 -6.659 1.769 -1.738 1.00 0.00 N ATOM 924 CA LYS A 64 -5.951 1.656 -3.008 1.00 0.00 C ATOM 925 C LYS A 64 -6.709 2.376 -4.119 1.00 0.00 C ATOM 926 O LYS A 64 -6.853 1.853 -5.224 1.00 0.00 O ATOM 927 CB LYS A 64 -5.757 0.184 -3.379 1.00 0.00 C ATOM 928 CG LYS A 64 -7.049 -0.616 -3.389 1.00 0.00 C ATOM 929 CD LYS A 64 -6.939 -1.840 -4.282 1.00 0.00 C ATOM 930 CE LYS A 64 -6.343 -3.023 -3.535 1.00 0.00 C ATOM 931 NZ LYS A 64 -7.270 -3.546 -2.493 1.00 0.00 N ATOM 0 H LYS A 64 -7.496 1.190 -1.669 1.00 0.00 H new ATOM 0 HA LYS A 64 -4.975 2.127 -2.894 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -5.295 0.124 -4.364 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -5.063 -0.272 -2.673 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -7.294 -0.926 -2.373 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -7.867 0.016 -3.735 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -7.926 -2.106 -4.659 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -6.320 -1.606 -5.148 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -6.107 -3.818 -4.243 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -5.405 -2.722 -3.069 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -6.781 -3.574 -1.576 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -8.101 -2.924 -2.424 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -7.577 -4.506 -2.751 1.00 0.00 H new ATOM 945 N ASP A 65 -7.190 3.577 -3.819 1.00 0.00 N ATOM 946 CA ASP A 65 -7.931 4.369 -4.793 1.00 0.00 C ATOM 947 C ASP A 65 -7.067 4.678 -6.012 1.00 0.00 C ATOM 948 O ASP A 65 -7.576 4.839 -7.122 1.00 0.00 O ATOM 949 CB ASP A 65 -8.421 5.671 -4.157 1.00 0.00 C ATOM 950 CG ASP A 65 -7.311 6.692 -4.000 1.00 0.00 C ATOM 951 OD1 ASP A 65 -6.778 7.152 -5.031 1.00 0.00 O ATOM 952 OD2 ASP A 65 -6.976 7.031 -2.845 1.00 0.00 O ATOM 0 H ASP A 65 -7.080 4.024 -2.909 1.00 0.00 H new ATOM 0 HA ASP A 65 -8.793 3.786 -5.119 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -9.216 6.095 -4.770 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -8.853 5.455 -3.180 1.00 0.00 H new ATOM 957 N ASP A 66 -5.758 4.760 -5.798 1.00 0.00 N ATOM 958 CA ASP A 66 -4.823 5.050 -6.879 1.00 0.00 C ATOM 959 C ASP A 66 -4.197 3.766 -7.414 1.00 0.00 C ATOM 960 O ASP A 66 -3.538 3.019 -6.691 1.00 0.00 O ATOM 961 CB ASP A 66 -3.729 6.002 -6.394 1.00 0.00 C ATOM 962 CG ASP A 66 -3.215 6.905 -7.498 1.00 0.00 C ATOM 963 OD1 ASP A 66 -4.043 7.576 -8.149 1.00 0.00 O ATOM 964 OD2 ASP A 66 -1.985 6.939 -7.713 1.00 0.00 O ATOM 0 H ASP A 66 -5.321 4.630 -4.886 1.00 0.00 H new ATOM 0 HA ASP A 66 -5.377 5.528 -7.687 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -4.119 6.614 -5.580 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -2.900 5.422 -5.988 1.00 0.00 H new ATOM 969 N PRO A 67 -4.408 3.501 -8.712 1.00 0.00 N ATOM 970 CA PRO A 67 -3.873 2.307 -9.373 1.00 0.00 C ATOM 971 C PRO A 67 -2.357 2.361 -9.529 1.00 0.00 C ATOM 972 O PRO A 67 -1.751 1.461 -10.111 1.00 0.00 O ATOM 973 CB PRO A 67 -4.552 2.327 -10.745 1.00 0.00 C ATOM 974 CG PRO A 67 -4.880 3.760 -10.985 1.00 0.00 C ATOM 975 CD PRO A 67 -5.184 4.347 -9.634 1.00 0.00 C ATOM 0 HA PRO A 67 -4.068 1.401 -8.798 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -3.891 1.937 -11.519 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -5.450 1.709 -10.751 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -4.045 4.278 -11.457 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -5.735 3.858 -11.654 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -4.880 5.392 -9.572 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -6.250 4.311 -9.411 1.00 0.00 H new ATOM 983 N ASP A 68 -1.750 3.421 -9.006 1.00 0.00 N ATOM 984 CA ASP A 68 -0.304 3.591 -9.086 1.00 0.00 C ATOM 985 C ASP A 68 0.323 3.569 -7.696 1.00 0.00 C ATOM 986 O ASP A 68 1.408 3.020 -7.502 1.00 0.00 O ATOM 987 CB ASP A 68 0.038 4.903 -9.793 1.00 0.00 C ATOM 988 CG ASP A 68 -0.815 5.137 -11.024 1.00 0.00 C ATOM 989 OD1 ASP A 68 -1.047 4.169 -11.777 1.00 0.00 O ATOM 990 OD2 ASP A 68 -1.250 6.289 -11.235 1.00 0.00 O ATOM 0 H ASP A 68 -2.237 4.175 -8.522 1.00 0.00 H new ATOM 0 HA ASP A 68 0.104 2.760 -9.662 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -0.096 5.732 -9.098 1.00 0.00 H new ATOM 0 HB3 ASP A 68 1.090 4.894 -10.080 1.00 0.00 H new ATOM 995 N TRP A 69 -0.365 4.171 -6.732 1.00 0.00 N ATOM 996 CA TRP A 69 0.126 4.221 -5.360 1.00 0.00 C ATOM 997 C TRP A 69 -0.931 3.712 -4.385 1.00 0.00 C ATOM 998 O TRP A 69 -2.119 3.995 -4.540 1.00 0.00 O ATOM 999 CB TRP A 69 0.530 5.650 -4.993 1.00 0.00 C ATOM 1000 CG TRP A 69 1.926 5.999 -5.413 1.00 0.00 C ATOM 1001 CD1 TRP A 69 2.380 6.163 -6.690 1.00 0.00 C ATOM 1002 CD2 TRP A 69 3.048 6.224 -4.553 1.00 0.00 C ATOM 1003 NE1 TRP A 69 3.718 6.477 -6.676 1.00 0.00 N ATOM 1004 CE2 TRP A 69 4.151 6.521 -5.377 1.00 0.00 C ATOM 1005 CE3 TRP A 69 3.228 6.206 -3.167 1.00 0.00 C ATOM 1006 CZ2 TRP A 69 5.414 6.796 -4.860 1.00 0.00 C ATOM 1007 CZ3 TRP A 69 4.482 6.479 -2.655 1.00 0.00 C ATOM 1008 CH2 TRP A 69 5.562 6.772 -3.500 1.00 0.00 C ATOM 0 H TRP A 69 -1.264 4.631 -6.875 1.00 0.00 H new ATOM 0 HA TRP A 69 1.001 3.574 -5.289 1.00 0.00 H new ATOM 0 HB2 TRP A 69 -0.167 6.348 -5.458 1.00 0.00 H new ATOM 0 HB3 TRP A 69 0.439 5.780 -3.915 1.00 0.00 H new ATOM 0 HD1 TRP A 69 1.777 6.061 -7.580 1.00 0.00 H new ATOM 0 HE1 TRP A 69 4.295 6.649 -7.499 1.00 0.00 H new ATOM 0 HE3 TRP A 69 2.402 5.983 -2.508 1.00 0.00 H new ATOM 0 HZ2 TRP A 69 6.247 7.020 -5.509 1.00 0.00 H new ATOM 0 HZ3 TRP A 69 4.633 6.467 -1.586 1.00 0.00 H new ATOM 0 HH2 TRP A 69 6.530 6.983 -3.069 1.00 0.00 H new ATOM 1019 N TRP A 70 -0.491 2.961 -3.382 1.00 0.00 N ATOM 1020 CA TRP A 70 -1.400 2.413 -2.382 1.00 0.00 C ATOM 1021 C TRP A 70 -0.995 2.853 -0.979 1.00 0.00 C ATOM 1022 O TRP A 70 0.145 3.257 -0.751 1.00 0.00 O ATOM 1023 CB TRP A 70 -1.422 0.886 -2.465 1.00 0.00 C ATOM 1024 CG TRP A 70 -2.075 0.368 -3.710 1.00 0.00 C ATOM 1025 CD1 TRP A 70 -2.906 1.057 -4.547 1.00 0.00 C ATOM 1026 CD2 TRP A 70 -1.953 -0.949 -4.258 1.00 0.00 C ATOM 1027 NE1 TRP A 70 -3.307 0.248 -5.582 1.00 0.00 N ATOM 1028 CE2 TRP A 70 -2.736 -0.988 -5.428 1.00 0.00 C ATOM 1029 CE3 TRP A 70 -1.256 -2.098 -3.875 1.00 0.00 C ATOM 1030 CZ2 TRP A 70 -2.841 -2.131 -6.215 1.00 0.00 C ATOM 1031 CZ3 TRP A 70 -1.362 -3.233 -4.657 1.00 0.00 C ATOM 1032 CH2 TRP A 70 -2.149 -3.242 -5.817 1.00 0.00 C ATOM 0 H TRP A 70 0.489 2.718 -3.240 1.00 0.00 H new ATOM 0 HA TRP A 70 -2.400 2.795 -2.588 1.00 0.00 H new ATOM 0 HB2 TRP A 70 -0.399 0.512 -2.417 1.00 0.00 H new ATOM 0 HB3 TRP A 70 -1.947 0.490 -1.596 1.00 0.00 H new ATOM 0 HD1 TRP A 70 -3.204 2.087 -4.414 1.00 0.00 H new ATOM 0 HE1 TRP A 70 -3.929 0.523 -6.342 1.00 0.00 H new ATOM 0 HE3 TRP A 70 -0.646 -2.099 -2.984 1.00 0.00 H new ATOM 0 HZ2 TRP A 70 -3.447 -2.141 -7.109 1.00 0.00 H new ATOM 0 HZ3 TRP A 70 -0.830 -4.128 -4.369 1.00 0.00 H new ATOM 0 HH2 TRP A 70 -2.210 -4.144 -6.408 1.00 0.00 H new ATOM 1043 N GLN A 71 -1.935 2.770 -0.043 1.00 0.00 N ATOM 1044 CA GLN A 71 -1.674 3.161 1.337 1.00 0.00 C ATOM 1045 C GLN A 71 -1.754 1.955 2.268 1.00 0.00 C ATOM 1046 O GLN A 71 -2.760 1.247 2.298 1.00 0.00 O ATOM 1047 CB GLN A 71 -2.671 4.232 1.784 1.00 0.00 C ATOM 1048 CG GLN A 71 -2.508 4.646 3.237 1.00 0.00 C ATOM 1049 CD GLN A 71 -3.157 5.983 3.539 1.00 0.00 C ATOM 1050 OE1 GLN A 71 -3.867 6.544 2.704 1.00 0.00 O ATOM 1051 NE2 GLN A 71 -2.917 6.500 4.738 1.00 0.00 N ATOM 0 H GLN A 71 -2.883 2.436 -0.215 1.00 0.00 H new ATOM 0 HA GLN A 71 -0.665 3.571 1.387 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -2.556 5.111 1.149 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -3.684 3.859 1.632 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -2.944 3.881 3.880 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -1.447 4.699 3.479 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -2.322 6.000 5.399 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -3.327 7.397 4.998 1.00 0.00 H new ATOM 1060 N GLY A 72 -0.686 1.727 3.027 1.00 0.00 N ATOM 1061 CA GLY A 72 -0.656 0.606 3.948 1.00 0.00 C ATOM 1062 C GLY A 72 -0.135 0.995 5.318 1.00 0.00 C ATOM 1063 O GLY A 72 0.349 2.110 5.511 1.00 0.00 O ATOM 0 H GLY A 72 0.159 2.299 3.020 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -1.661 0.195 4.048 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -0.028 -0.183 3.535 1.00 0.00 H new ATOM 1067 N GLU A 73 -0.236 0.074 6.271 1.00 0.00 N ATOM 1068 CA GLU A 73 0.227 0.328 7.630 1.00 0.00 C ATOM 1069 C GLU A 73 1.308 -0.672 8.033 1.00 0.00 C ATOM 1070 O GLU A 73 1.235 -1.852 7.689 1.00 0.00 O ATOM 1071 CB GLU A 73 -0.943 0.255 8.614 1.00 0.00 C ATOM 1072 CG GLU A 73 -1.524 -1.141 8.765 1.00 0.00 C ATOM 1073 CD GLU A 73 -2.308 -1.309 10.052 1.00 0.00 C ATOM 1074 OE1 GLU A 73 -2.040 -0.557 11.012 1.00 0.00 O ATOM 1075 OE2 GLU A 73 -3.189 -2.193 10.099 1.00 0.00 O ATOM 0 H GLU A 73 -0.634 -0.854 6.127 1.00 0.00 H new ATOM 0 HA GLU A 73 0.654 1.330 7.659 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -0.609 0.608 9.590 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -1.729 0.933 8.282 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -2.175 -1.354 7.917 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -0.716 -1.872 8.738 1.00 0.00 H new ATOM 1082 N ILE A 74 2.308 -0.190 8.763 1.00 0.00 N ATOM 1083 CA ILE A 74 3.403 -1.041 9.212 1.00 0.00 C ATOM 1084 C ILE A 74 3.730 -0.786 10.680 1.00 0.00 C ATOM 1085 O ILE A 74 4.389 0.196 11.018 1.00 0.00 O ATOM 1086 CB ILE A 74 4.672 -0.818 8.369 1.00 0.00 C ATOM 1087 CG1 ILE A 74 4.327 -0.817 6.878 1.00 0.00 C ATOM 1088 CG2 ILE A 74 5.708 -1.889 8.677 1.00 0.00 C ATOM 1089 CD1 ILE A 74 5.465 -0.357 5.994 1.00 0.00 C ATOM 0 H ILE A 74 2.383 0.784 9.056 1.00 0.00 H new ATOM 0 HA ILE A 74 3.072 -2.072 9.089 1.00 0.00 H new ATOM 0 HB ILE A 74 5.094 0.153 8.626 1.00 0.00 H new ATOM 0 HG12 ILE A 74 4.031 -1.823 6.581 1.00 0.00 H new ATOM 0 HG13 ILE A 74 3.465 -0.170 6.713 1.00 0.00 H new ATOM 0 HG21 ILE A 74 6.599 -1.718 8.073 1.00 0.00 H new ATOM 0 HG22 ILE A 74 5.972 -1.847 9.734 1.00 0.00 H new ATOM 0 HG23 ILE A 74 5.296 -2.871 8.445 1.00 0.00 H new ATOM 0 HD11 ILE A 74 5.149 -0.382 4.951 1.00 0.00 H new ATOM 0 HD12 ILE A 74 5.747 0.661 6.264 1.00 0.00 H new ATOM 0 HD13 ILE A 74 6.321 -1.018 6.129 1.00 0.00 H new ATOM 1101 N ASN A 75 3.266 -1.679 11.548 1.00 0.00 N ATOM 1102 CA ASN A 75 3.510 -1.552 12.980 1.00 0.00 C ATOM 1103 C ASN A 75 2.832 -0.305 13.539 1.00 0.00 C ATOM 1104 O ASN A 75 3.455 0.492 14.239 1.00 0.00 O ATOM 1105 CB ASN A 75 5.013 -1.497 13.259 1.00 0.00 C ATOM 1106 CG ASN A 75 5.607 -2.872 13.499 1.00 0.00 C ATOM 1107 OD1 ASN A 75 5.169 -3.603 14.387 1.00 0.00 O ATOM 1108 ND2 ASN A 75 6.610 -3.229 12.705 1.00 0.00 N ATOM 0 H ASN A 75 2.719 -2.499 11.285 1.00 0.00 H new ATOM 0 HA ASN A 75 3.087 -2.426 13.474 1.00 0.00 H new ATOM 0 HB2 ASN A 75 5.519 -1.028 12.416 1.00 0.00 H new ATOM 0 HB3 ASN A 75 5.195 -0.868 14.130 1.00 0.00 H new ATOM 0 HD21 ASN A 75 7.050 -4.142 12.818 1.00 0.00 H new ATOM 0 HD22 ASN A 75 6.940 -2.590 11.982 1.00 0.00 H new ATOM 1115 N GLY A 76 1.550 -0.143 13.224 1.00 0.00 N ATOM 1116 CA GLY A 76 0.808 1.009 13.703 1.00 0.00 C ATOM 1117 C GLY A 76 1.218 2.292 13.008 1.00 0.00 C ATOM 1118 O GLY A 76 0.766 3.377 13.375 1.00 0.00 O ATOM 0 H GLY A 76 1.012 -0.789 12.646 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -0.258 0.841 13.549 1.00 0.00 H new ATOM 0 HA3 GLY A 76 0.962 1.116 14.777 1.00 0.00 H new ATOM 1122 N VAL A 77 2.079 2.170 12.003 1.00 0.00 N ATOM 1123 CA VAL A 77 2.551 3.330 11.255 1.00 0.00 C ATOM 1124 C VAL A 77 1.896 3.401 9.880 1.00 0.00 C ATOM 1125 O VAL A 77 1.620 2.375 9.257 1.00 0.00 O ATOM 1126 CB VAL A 77 4.081 3.302 11.082 1.00 0.00 C ATOM 1127 CG1 VAL A 77 4.460 2.590 9.792 1.00 0.00 C ATOM 1128 CG2 VAL A 77 4.646 4.714 11.108 1.00 0.00 C ATOM 0 H VAL A 77 2.464 1.280 11.688 1.00 0.00 H new ATOM 0 HA VAL A 77 2.274 4.212 11.832 1.00 0.00 H new ATOM 0 HB VAL A 77 4.513 2.747 11.915 1.00 0.00 H new ATOM 0 HG11 VAL A 77 5.545 2.580 9.687 1.00 0.00 H new ATOM 0 HG12 VAL A 77 4.089 1.566 9.819 1.00 0.00 H new ATOM 0 HG13 VAL A 77 4.018 3.114 8.944 1.00 0.00 H new ATOM 0 HG21 VAL A 77 5.728 4.675 10.984 1.00 0.00 H new ATOM 0 HG22 VAL A 77 4.209 5.296 10.297 1.00 0.00 H new ATOM 0 HG23 VAL A 77 4.406 5.184 12.062 1.00 0.00 H new ATOM 1138 N THR A 78 1.650 4.620 9.410 1.00 0.00 N ATOM 1139 CA THR A 78 1.027 4.826 8.109 1.00 0.00 C ATOM 1140 C THR A 78 1.882 5.729 7.227 1.00 0.00 C ATOM 1141 O THR A 78 2.593 6.603 7.721 1.00 0.00 O ATOM 1142 CB THR A 78 -0.376 5.445 8.249 1.00 0.00 C ATOM 1143 OG1 THR A 78 -0.299 6.673 8.981 1.00 0.00 O ATOM 1144 CG2 THR A 78 -1.322 4.486 8.956 1.00 0.00 C ATOM 0 H THR A 78 1.873 5.480 9.912 1.00 0.00 H new ATOM 0 HA THR A 78 0.938 3.845 7.643 1.00 0.00 H new ATOM 0 HB THR A 78 -0.763 5.642 7.249 1.00 0.00 H new ATOM 0 HG1 THR A 78 -1.195 7.061 9.064 1.00 0.00 H new ATOM 0 HG21 THR A 78 -2.307 4.945 9.043 1.00 0.00 H new ATOM 0 HG22 THR A 78 -1.401 3.563 8.381 1.00 0.00 H new ATOM 0 HG23 THR A 78 -0.937 4.262 9.951 1.00 0.00 H new ATOM 1152 N GLY A 79 1.809 5.511 5.917 1.00 0.00 N ATOM 1153 CA GLY A 79 2.581 6.314 4.987 1.00 0.00 C ATOM 1154 C GLY A 79 2.068 6.208 3.565 1.00 0.00 C ATOM 1155 O GLY A 79 0.873 6.008 3.341 1.00 0.00 O ATOM 0 H GLY A 79 1.229 4.793 5.484 1.00 0.00 H new ATOM 0 HA2 GLY A 79 2.554 7.357 5.303 1.00 0.00 H new ATOM 0 HA3 GLY A 79 3.624 5.998 5.018 1.00 0.00 H new ATOM 1159 N LEU A 80 2.971 6.343 2.600 1.00 0.00 N ATOM 1160 CA LEU A 80 2.603 6.263 1.191 1.00 0.00 C ATOM 1161 C LEU A 80 3.647 5.482 0.399 1.00 0.00 C ATOM 1162 O LEU A 80 4.848 5.714 0.538 1.00 0.00 O ATOM 1163 CB LEU A 80 2.445 7.666 0.604 1.00 0.00 C ATOM 1164 CG LEU A 80 1.198 8.439 1.037 1.00 0.00 C ATOM 1165 CD1 LEU A 80 1.226 9.853 0.479 1.00 0.00 C ATOM 1166 CD2 LEU A 80 -0.062 7.712 0.589 1.00 0.00 C ATOM 0 H LEU A 80 3.963 6.508 2.768 1.00 0.00 H new ATOM 0 HA LEU A 80 1.651 5.737 1.119 1.00 0.00 H new ATOM 0 HB2 LEU A 80 3.323 8.252 0.874 1.00 0.00 H new ATOM 0 HB3 LEU A 80 2.438 7.585 -0.483 1.00 0.00 H new ATOM 0 HG LEU A 80 1.191 8.500 2.125 1.00 0.00 H new ATOM 0 HD11 LEU A 80 0.331 10.388 0.797 1.00 0.00 H new ATOM 0 HD12 LEU A 80 2.110 10.373 0.849 1.00 0.00 H new ATOM 0 HD13 LEU A 80 1.257 9.814 -0.610 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -0.939 8.276 0.905 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -0.062 7.620 -0.497 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -0.088 6.719 1.037 1.00 0.00 H new ATOM 1178 N PHE A 81 3.181 4.558 -0.435 1.00 0.00 N ATOM 1179 CA PHE A 81 4.075 3.745 -1.251 1.00 0.00 C ATOM 1180 C PHE A 81 3.394 3.327 -2.552 1.00 0.00 C ATOM 1181 O PHE A 81 2.169 3.245 -2.643 1.00 0.00 O ATOM 1182 CB PHE A 81 4.521 2.504 -0.475 1.00 0.00 C ATOM 1183 CG PHE A 81 3.380 1.718 0.105 1.00 0.00 C ATOM 1184 CD1 PHE A 81 2.456 1.100 -0.722 1.00 0.00 C ATOM 1185 CD2 PHE A 81 3.232 1.597 1.478 1.00 0.00 C ATOM 1186 CE1 PHE A 81 1.405 0.375 -0.192 1.00 0.00 C ATOM 1187 CE2 PHE A 81 2.183 0.873 2.014 1.00 0.00 C ATOM 1188 CZ PHE A 81 1.268 0.262 1.178 1.00 0.00 C ATOM 0 H PHE A 81 2.190 4.354 -0.563 1.00 0.00 H new ATOM 0 HA PHE A 81 4.951 4.346 -1.496 1.00 0.00 H new ATOM 0 HB2 PHE A 81 5.097 1.858 -1.138 1.00 0.00 H new ATOM 0 HB3 PHE A 81 5.188 2.810 0.331 1.00 0.00 H new ATOM 0 HD1 PHE A 81 2.558 1.186 -1.794 1.00 0.00 H new ATOM 0 HD2 PHE A 81 3.944 2.073 2.136 1.00 0.00 H new ATOM 0 HE1 PHE A 81 0.692 -0.102 -0.848 1.00 0.00 H new ATOM 0 HE2 PHE A 81 2.079 0.785 3.085 1.00 0.00 H new ATOM 0 HZ PHE A 81 0.447 -0.303 1.595 1.00 0.00 H new ATOM 1198 N PRO A 82 4.207 3.057 -3.584 1.00 0.00 N ATOM 1199 CA PRO A 82 3.707 2.644 -4.898 1.00 0.00 C ATOM 1200 C PRO A 82 3.109 1.242 -4.876 1.00 0.00 C ATOM 1201 O PRO A 82 3.543 0.383 -4.108 1.00 0.00 O ATOM 1202 CB PRO A 82 4.958 2.678 -5.780 1.00 0.00 C ATOM 1203 CG PRO A 82 6.093 2.480 -4.836 1.00 0.00 C ATOM 1204 CD PRO A 82 5.678 3.134 -3.547 1.00 0.00 C ATOM 0 HA PRO A 82 2.903 3.290 -5.250 1.00 0.00 H new ATOM 0 HB2 PRO A 82 4.931 1.893 -6.536 1.00 0.00 H new ATOM 0 HB3 PRO A 82 5.044 3.627 -6.309 1.00 0.00 H new ATOM 0 HG2 PRO A 82 6.297 1.420 -4.688 1.00 0.00 H new ATOM 0 HG3 PRO A 82 7.007 2.929 -5.225 1.00 0.00 H new ATOM 0 HD2 PRO A 82 6.086 2.612 -2.682 1.00 0.00 H new ATOM 0 HD3 PRO A 82 6.025 4.166 -3.490 1.00 0.00 H new ATOM 1212 N SER A 83 2.111 1.016 -5.724 1.00 0.00 N ATOM 1213 CA SER A 83 1.450 -0.282 -5.799 1.00 0.00 C ATOM 1214 C SER A 83 2.298 -1.279 -6.584 1.00 0.00 C ATOM 1215 O SER A 83 1.846 -2.376 -6.907 1.00 0.00 O ATOM 1216 CB SER A 83 0.074 -0.141 -6.452 1.00 0.00 C ATOM 1217 OG SER A 83 -0.627 0.974 -5.928 1.00 0.00 O ATOM 0 H SER A 83 1.742 1.715 -6.369 1.00 0.00 H new ATOM 0 HA SER A 83 1.325 -0.657 -4.783 1.00 0.00 H new ATOM 0 HB2 SER A 83 0.189 -0.028 -7.530 1.00 0.00 H new ATOM 0 HB3 SER A 83 -0.505 -1.049 -6.287 1.00 0.00 H new ATOM 0 HG SER A 83 -1.423 0.664 -5.448 1.00 0.00 H new ATOM 1223 N ASN A 84 3.531 -0.886 -6.888 1.00 0.00 N ATOM 1224 CA ASN A 84 4.444 -1.744 -7.636 1.00 0.00 C ATOM 1225 C ASN A 84 5.511 -2.333 -6.719 1.00 0.00 C ATOM 1226 O ASN A 84 6.163 -3.320 -7.062 1.00 0.00 O ATOM 1227 CB ASN A 84 5.106 -0.955 -8.767 1.00 0.00 C ATOM 1228 CG ASN A 84 4.178 -0.747 -9.948 1.00 0.00 C ATOM 1229 OD1 ASN A 84 4.439 -1.229 -11.050 1.00 0.00 O ATOM 1230 ND2 ASN A 84 3.086 -0.025 -9.722 1.00 0.00 N ATOM 0 H ASN A 84 3.921 0.020 -6.628 1.00 0.00 H new ATOM 0 HA ASN A 84 3.866 -2.563 -8.063 1.00 0.00 H new ATOM 0 HB2 ASN A 84 5.430 0.014 -8.388 1.00 0.00 H new ATOM 0 HB3 ASN A 84 6.000 -1.483 -9.100 1.00 0.00 H new ATOM 0 HD21 ASN A 84 2.424 0.149 -10.478 1.00 0.00 H new ATOM 0 HD22 ASN A 84 2.910 0.355 -8.792 1.00 0.00 H new ATOM 1237 N TYR A 85 5.683 -1.723 -5.552 1.00 0.00 N ATOM 1238 CA TYR A 85 6.672 -2.186 -4.586 1.00 0.00 C ATOM 1239 C TYR A 85 6.059 -3.196 -3.621 1.00 0.00 C ATOM 1240 O TYR A 85 6.718 -3.663 -2.691 1.00 0.00 O ATOM 1241 CB TYR A 85 7.246 -1.002 -3.805 1.00 0.00 C ATOM 1242 CG TYR A 85 8.432 -0.350 -4.479 1.00 0.00 C ATOM 1243 CD1 TYR A 85 8.278 0.369 -5.658 1.00 0.00 C ATOM 1244 CD2 TYR A 85 9.707 -0.453 -3.937 1.00 0.00 C ATOM 1245 CE1 TYR A 85 9.359 0.965 -6.278 1.00 0.00 C ATOM 1246 CE2 TYR A 85 10.794 0.141 -4.549 1.00 0.00 C ATOM 1247 CZ TYR A 85 10.615 0.848 -5.719 1.00 0.00 C ATOM 1248 OH TYR A 85 11.694 1.442 -6.332 1.00 0.00 O ATOM 0 H TYR A 85 5.150 -0.907 -5.252 1.00 0.00 H new ATOM 0 HA TYR A 85 7.477 -2.676 -5.134 1.00 0.00 H new ATOM 0 HB2 TYR A 85 6.463 -0.256 -3.665 1.00 0.00 H new ATOM 0 HB3 TYR A 85 7.544 -1.342 -2.813 1.00 0.00 H new ATOM 0 HD1 TYR A 85 7.296 0.464 -6.097 1.00 0.00 H new ATOM 0 HD2 TYR A 85 9.851 -1.007 -3.021 1.00 0.00 H new ATOM 0 HE1 TYR A 85 9.222 1.519 -7.195 1.00 0.00 H new ATOM 0 HE2 TYR A 85 11.778 0.052 -4.113 1.00 0.00 H new ATOM 0 HH TYR A 85 12.505 1.266 -5.810 1.00 0.00 H new ATOM 1258 N VAL A 86 4.794 -3.531 -3.850 1.00 0.00 N ATOM 1259 CA VAL A 86 4.091 -4.488 -3.003 1.00 0.00 C ATOM 1260 C VAL A 86 3.372 -5.539 -3.841 1.00 0.00 C ATOM 1261 O VAL A 86 2.969 -5.276 -4.974 1.00 0.00 O ATOM 1262 CB VAL A 86 3.067 -3.785 -2.092 1.00 0.00 C ATOM 1263 CG1 VAL A 86 3.740 -2.692 -1.276 1.00 0.00 C ATOM 1264 CG2 VAL A 86 1.922 -3.217 -2.917 1.00 0.00 C ATOM 0 H VAL A 86 4.234 -3.154 -4.615 1.00 0.00 H new ATOM 0 HA VAL A 86 4.844 -4.975 -2.383 1.00 0.00 H new ATOM 0 HB VAL A 86 2.656 -4.521 -1.401 1.00 0.00 H new ATOM 0 HG11 VAL A 86 3.001 -2.207 -0.639 1.00 0.00 H new ATOM 0 HG12 VAL A 86 4.522 -3.130 -0.656 1.00 0.00 H new ATOM 0 HG13 VAL A 86 4.180 -1.955 -1.948 1.00 0.00 H new ATOM 0 HG21 VAL A 86 1.208 -2.724 -2.257 1.00 0.00 H new ATOM 0 HG22 VAL A 86 2.313 -2.495 -3.633 1.00 0.00 H new ATOM 0 HG23 VAL A 86 1.423 -4.025 -3.452 1.00 0.00 H new ATOM 1274 N LYS A 87 3.214 -6.731 -3.276 1.00 0.00 N ATOM 1275 CA LYS A 87 2.542 -7.824 -3.970 1.00 0.00 C ATOM 1276 C LYS A 87 1.512 -8.492 -3.064 1.00 0.00 C ATOM 1277 O LYS A 87 1.820 -8.874 -1.935 1.00 0.00 O ATOM 1278 CB LYS A 87 3.564 -8.858 -4.447 1.00 0.00 C ATOM 1279 CG LYS A 87 2.949 -10.002 -5.235 1.00 0.00 C ATOM 1280 CD LYS A 87 4.015 -10.860 -5.895 1.00 0.00 C ATOM 1281 CE LYS A 87 4.568 -10.198 -7.148 1.00 0.00 C ATOM 1282 NZ LYS A 87 5.567 -11.061 -7.837 1.00 0.00 N ATOM 0 H LYS A 87 3.542 -6.965 -2.339 1.00 0.00 H new ATOM 0 HA LYS A 87 2.025 -7.408 -4.835 1.00 0.00 H new ATOM 0 HB2 LYS A 87 4.310 -8.360 -5.067 1.00 0.00 H new ATOM 0 HB3 LYS A 87 4.088 -9.264 -3.582 1.00 0.00 H new ATOM 0 HG2 LYS A 87 2.344 -10.619 -4.571 1.00 0.00 H new ATOM 0 HG3 LYS A 87 2.279 -9.602 -5.996 1.00 0.00 H new ATOM 0 HD2 LYS A 87 4.826 -11.041 -5.190 1.00 0.00 H new ATOM 0 HD3 LYS A 87 3.594 -11.832 -6.152 1.00 0.00 H new ATOM 0 HE2 LYS A 87 3.749 -9.974 -7.832 1.00 0.00 H new ATOM 0 HE3 LYS A 87 5.031 -9.248 -6.882 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 5.920 -10.574 -8.686 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 6.361 -11.255 -7.194 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 5.119 -11.958 -8.114 1.00 0.00 H new