USER MOD reduce.3.24.130724 H: found=0, std=0, add=375, rem=0, adj=13 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 -121:sc= -3.07! (180deg=-6.98!) USER MOD Set 1.2: A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 CYS SG : rot 180:sc= 0.066 USER MOD Single : A 36 GLN :FLIP amide:sc= -1.1 F(o=-2!,f=-1.1) USER MOD Single : A 43 TYR OH : rot -89:sc= 0.282 USER MOD Single : A 52 SER OG : rot 33:sc= 0.817 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= -0.355 K(o=-0.36,f=-2.5!) USER MOD Single : A 60 ASN :FLIP amide:sc= -0.741 F(o=-2.3,f=-0.74) USER MOD Single : A 62 MET CE :methyl 159:sc= -0.621 (180deg=-2.07!) USER MOD Single : A 63 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 64 LYS NZ :NH3+ -160:sc= -0.0423 (180deg=-0.336) USER MOD Single : A 71 GLN : amide:sc= 0 K(o=0,f=-3.4!) USER MOD Single : A 75 ASN : amide:sc= 0 X(o=0,f=-0.045) USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 83 SER OG : rot -173:sc= 1.21 USER MOD Single : A 84 ASN : amide:sc= -2.72! C(o=-2.7!,f=-3!) 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 -8.356 -3.330 2.584 1.00 0.00 N ATOM 468 CA VAL A 34 -8.849 -4.155 1.488 1.00 0.00 C ATOM 469 C VAL A 34 -8.158 -5.514 1.469 1.00 0.00 C ATOM 470 O VAL A 34 -8.785 -6.536 1.190 1.00 0.00 O ATOM 471 CB VAL A 34 -8.637 -3.465 0.127 1.00 0.00 C ATOM 472 CG1 VAL A 34 -9.269 -2.081 0.126 1.00 0.00 C ATOM 473 CG2 VAL A 34 -7.155 -3.383 -0.203 1.00 0.00 C ATOM 0 HA VAL A 34 -9.917 -4.296 1.654 1.00 0.00 H new ATOM 0 HB VAL A 34 -9.125 -4.062 -0.644 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -9.109 -1.609 -0.843 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -10.339 -2.169 0.315 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -8.812 -1.472 0.906 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -7.024 -2.893 -1.168 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -6.642 -2.809 0.569 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -6.736 -4.388 -0.247 1.00 0.00 H new ATOM 483 N CYS A 35 -6.864 -5.518 1.769 1.00 0.00 N ATOM 484 CA CYS A 35 -6.087 -6.752 1.786 1.00 0.00 C ATOM 485 C CYS A 35 -4.679 -6.500 2.314 1.00 0.00 C ATOM 486 O CYS A 35 -4.275 -5.354 2.508 1.00 0.00 O ATOM 487 CB CYS A 35 -6.019 -7.356 0.383 1.00 0.00 C ATOM 488 SG CYS A 35 -5.840 -9.155 0.362 1.00 0.00 S ATOM 0 H CYS A 35 -6.331 -4.681 2.004 1.00 0.00 H new ATOM 0 HA CYS A 35 -6.584 -7.457 2.452 1.00 0.00 H new ATOM 0 HB2 CYS A 35 -6.923 -7.085 -0.162 1.00 0.00 H new ATOM 0 HB3 CYS A 35 -5.180 -6.912 -0.152 1.00 0.00 H new ATOM 0 HG CYS A 35 -5.794 -9.572 -0.868 1.00 0.00 H new ATOM 494 N GLN A 36 -3.937 -7.579 2.545 1.00 0.00 N ATOM 495 CA GLN A 36 -2.574 -7.474 3.052 1.00 0.00 C ATOM 496 C GLN A 36 -1.562 -7.859 1.978 1.00 0.00 C ATOM 497 O GLN A 36 -1.636 -8.944 1.401 1.00 0.00 O ATOM 498 CB GLN A 36 -2.395 -8.367 4.282 1.00 0.00 C ATOM 499 CG GLN A 36 -1.256 -7.931 5.189 1.00 0.00 C ATOM 500 CD GLN A 36 -0.925 -8.964 6.247 1.00 0.00 C ATOM 501 OE1 GLN A 36 0.359 -9.111 6.551 1.00 0.00 O flip ATOM 502 NE2 GLN A 36 -1.814 -9.625 6.786 1.00 0.00 N flip ATOM 0 H GLN A 36 -4.257 -8.535 2.389 1.00 0.00 H new ATOM 0 HA GLN A 36 -2.398 -6.436 3.336 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -3.323 -8.373 4.855 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -2.216 -9.391 3.954 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -0.369 -7.738 4.585 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -1.522 -6.992 5.674 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -2.789 -9.480 6.522 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -1.575 -10.317 7.496 1.00 0.00 H new ATOM 511 N VAL A 37 -0.617 -6.962 1.714 1.00 0.00 N ATOM 512 CA VAL A 37 0.411 -7.208 0.710 1.00 0.00 C ATOM 513 C VAL A 37 1.785 -7.351 1.353 1.00 0.00 C ATOM 514 O VAL A 37 1.925 -7.244 2.572 1.00 0.00 O ATOM 515 CB VAL A 37 0.460 -6.074 -0.332 1.00 0.00 C ATOM 516 CG1 VAL A 37 -0.893 -5.913 -1.009 1.00 0.00 C ATOM 517 CG2 VAL A 37 0.898 -4.771 0.318 1.00 0.00 C ATOM 0 H VAL A 37 -0.542 -6.059 2.182 1.00 0.00 H new ATOM 0 HA VAL A 37 0.148 -8.140 0.210 1.00 0.00 H new ATOM 0 HB VAL A 37 1.193 -6.337 -1.095 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -0.840 -5.108 -1.742 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -1.162 -6.843 -1.510 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -1.648 -5.673 -0.260 1.00 0.00 H new ATOM 0 HG21 VAL A 37 0.927 -3.981 -0.433 1.00 0.00 H new ATOM 0 HG22 VAL A 37 0.191 -4.500 1.102 1.00 0.00 H new ATOM 0 HG23 VAL A 37 1.890 -4.896 0.751 1.00 0.00 H new ATOM 527 N ILE A 38 2.797 -7.593 0.527 1.00 0.00 N ATOM 528 CA ILE A 38 4.161 -7.749 1.016 1.00 0.00 C ATOM 529 C ILE A 38 5.136 -6.901 0.206 1.00 0.00 C ATOM 530 O ILE A 38 5.049 -6.837 -1.020 1.00 0.00 O ATOM 531 CB ILE A 38 4.613 -9.220 0.964 1.00 0.00 C ATOM 532 CG1 ILE A 38 5.670 -9.490 2.036 1.00 0.00 C ATOM 533 CG2 ILE A 38 5.153 -9.560 -0.417 1.00 0.00 C ATOM 534 CD1 ILE A 38 5.654 -10.911 2.557 1.00 0.00 C ATOM 0 H ILE A 38 2.698 -7.685 -0.484 1.00 0.00 H new ATOM 0 HA ILE A 38 4.165 -7.412 2.053 1.00 0.00 H new ATOM 0 HB ILE A 38 3.751 -9.856 1.162 1.00 0.00 H new ATOM 0 HG12 ILE A 38 6.656 -9.273 1.625 1.00 0.00 H new ATOM 0 HG13 ILE A 38 5.514 -8.804 2.869 1.00 0.00 H new ATOM 0 HG21 ILE A 38 5.468 -10.603 -0.438 1.00 0.00 H new ATOM 0 HG22 ILE A 38 4.373 -9.402 -1.162 1.00 0.00 H new ATOM 0 HG23 ILE A 38 6.005 -8.919 -0.642 1.00 0.00 H new ATOM 0 HD11 ILE A 38 6.430 -11.030 3.314 1.00 0.00 H new ATOM 0 HD12 ILE A 38 4.681 -11.126 2.998 1.00 0.00 H new ATOM 0 HD13 ILE A 38 5.840 -11.602 1.735 1.00 0.00 H new ATOM 546 N ALA A 39 6.065 -6.252 0.900 1.00 0.00 N ATOM 547 CA ALA A 39 7.059 -5.411 0.245 1.00 0.00 C ATOM 548 C ALA A 39 8.011 -6.246 -0.605 1.00 0.00 C ATOM 549 O ALA A 39 8.707 -7.122 -0.094 1.00 0.00 O ATOM 550 CB ALA A 39 7.837 -4.610 1.279 1.00 0.00 C ATOM 0 H ALA A 39 6.150 -6.293 1.916 1.00 0.00 H new ATOM 0 HA ALA A 39 6.535 -4.720 -0.415 1.00 0.00 H new ATOM 0 HB1 ALA A 39 8.576 -3.986 0.776 1.00 0.00 H new ATOM 0 HB2 ALA A 39 7.150 -3.977 1.841 1.00 0.00 H new ATOM 0 HB3 ALA A 39 8.343 -5.292 1.962 1.00 0.00 H new ATOM 556 N MET A 40 8.036 -5.968 -1.904 1.00 0.00 N ATOM 557 CA MET A 40 8.903 -6.694 -2.824 1.00 0.00 C ATOM 558 C MET A 40 10.343 -6.201 -2.718 1.00 0.00 C ATOM 559 O MET A 40 11.287 -6.969 -2.900 1.00 0.00 O ATOM 560 CB MET A 40 8.403 -6.536 -4.262 1.00 0.00 C ATOM 561 CG MET A 40 7.032 -7.148 -4.498 1.00 0.00 C ATOM 562 SD MET A 40 6.644 -7.327 -6.250 1.00 0.00 S ATOM 563 CE MET A 40 6.620 -5.613 -6.768 1.00 0.00 C ATOM 0 H MET A 40 7.466 -5.245 -2.343 1.00 0.00 H new ATOM 0 HA MET A 40 8.877 -7.749 -2.551 1.00 0.00 H new ATOM 0 HB2 MET A 40 8.366 -5.475 -4.511 1.00 0.00 H new ATOM 0 HB3 MET A 40 9.120 -6.998 -4.940 1.00 0.00 H new ATOM 0 HG2 MET A 40 6.987 -8.126 -4.018 1.00 0.00 H new ATOM 0 HG3 MET A 40 6.274 -6.525 -4.024 1.00 0.00 H new ATOM 0 HE1 MET A 40 5.641 -5.372 -7.181 1.00 0.00 H new ATOM 0 HE2 MET A 40 6.820 -4.971 -5.910 1.00 0.00 H new ATOM 0 HE3 MET A 40 7.384 -5.452 -7.528 1.00 0.00 H new ATOM 573 N TYR A 41 10.503 -4.915 -2.422 1.00 0.00 N ATOM 574 CA TYR A 41 11.828 -4.320 -2.294 1.00 0.00 C ATOM 575 C TYR A 41 11.886 -3.374 -1.099 1.00 0.00 C ATOM 576 O TYR A 41 10.880 -2.776 -0.715 1.00 0.00 O ATOM 577 CB TYR A 41 12.197 -3.567 -3.573 1.00 0.00 C ATOM 578 CG TYR A 41 11.572 -4.150 -4.821 1.00 0.00 C ATOM 579 CD1 TYR A 41 10.308 -3.753 -5.239 1.00 0.00 C ATOM 580 CD2 TYR A 41 12.246 -5.098 -5.581 1.00 0.00 C ATOM 581 CE1 TYR A 41 9.733 -4.283 -6.377 1.00 0.00 C ATOM 582 CE2 TYR A 41 11.679 -5.632 -6.722 1.00 0.00 C ATOM 583 CZ TYR A 41 10.423 -5.222 -7.116 1.00 0.00 C ATOM 584 OH TYR A 41 9.854 -5.753 -8.251 1.00 0.00 O ATOM 0 H TYR A 41 9.732 -4.266 -2.266 1.00 0.00 H new ATOM 0 HA TYR A 41 12.546 -5.124 -2.134 1.00 0.00 H new ATOM 0 HB2 TYR A 41 11.888 -2.526 -3.474 1.00 0.00 H new ATOM 0 HB3 TYR A 41 13.281 -3.568 -3.685 1.00 0.00 H new ATOM 0 HD1 TYR A 41 9.766 -3.017 -4.664 1.00 0.00 H new ATOM 0 HD2 TYR A 41 13.229 -5.423 -5.275 1.00 0.00 H new ATOM 0 HE1 TYR A 41 8.749 -3.964 -6.687 1.00 0.00 H new ATOM 0 HE2 TYR A 41 12.217 -6.367 -7.302 1.00 0.00 H new ATOM 0 HH TYR A 41 10.471 -6.399 -8.655 1.00 0.00 H new ATOM 594 N ASP A 42 13.072 -3.242 -0.514 1.00 0.00 N ATOM 595 CA ASP A 42 13.265 -2.368 0.637 1.00 0.00 C ATOM 596 C ASP A 42 12.951 -0.919 0.277 1.00 0.00 C ATOM 597 O ASP A 42 13.764 -0.233 -0.344 1.00 0.00 O ATOM 598 CB ASP A 42 14.700 -2.479 1.154 1.00 0.00 C ATOM 599 CG ASP A 42 15.727 -2.205 0.074 1.00 0.00 C ATOM 600 OD1 ASP A 42 15.411 -2.422 -1.114 1.00 0.00 O ATOM 601 OD2 ASP A 42 16.848 -1.773 0.417 1.00 0.00 O ATOM 0 H ASP A 42 13.914 -3.730 -0.819 1.00 0.00 H new ATOM 0 HA ASP A 42 12.579 -2.685 1.422 1.00 0.00 H new ATOM 0 HB2 ASP A 42 14.843 -1.775 1.974 1.00 0.00 H new ATOM 0 HB3 ASP A 42 14.861 -3.478 1.559 1.00 0.00 H new ATOM 606 N TYR A 43 11.768 -0.460 0.670 1.00 0.00 N ATOM 607 CA TYR A 43 11.346 0.906 0.385 1.00 0.00 C ATOM 608 C TYR A 43 11.737 1.845 1.523 1.00 0.00 C ATOM 609 O TYR A 43 11.436 1.586 2.688 1.00 0.00 O ATOM 610 CB TYR A 43 9.834 0.959 0.162 1.00 0.00 C ATOM 611 CG TYR A 43 9.385 2.143 -0.664 1.00 0.00 C ATOM 612 CD1 TYR A 43 9.442 3.434 -0.153 1.00 0.00 C ATOM 613 CD2 TYR A 43 8.902 1.972 -1.956 1.00 0.00 C ATOM 614 CE1 TYR A 43 9.032 4.519 -0.903 1.00 0.00 C ATOM 615 CE2 TYR A 43 8.492 3.051 -2.714 1.00 0.00 C ATOM 616 CZ TYR A 43 8.558 4.322 -2.184 1.00 0.00 C ATOM 617 OH TYR A 43 8.149 5.399 -2.935 1.00 0.00 O ATOM 0 H TYR A 43 11.085 -1.014 1.187 1.00 0.00 H new ATOM 0 HA TYR A 43 11.852 1.234 -0.523 1.00 0.00 H new ATOM 0 HB2 TYR A 43 9.516 0.041 -0.331 1.00 0.00 H new ATOM 0 HB3 TYR A 43 9.333 0.991 1.130 1.00 0.00 H new ATOM 0 HD1 TYR A 43 9.814 3.592 0.849 1.00 0.00 H new ATOM 0 HD2 TYR A 43 8.846 0.978 -2.374 1.00 0.00 H new ATOM 0 HE1 TYR A 43 9.082 5.515 -0.489 1.00 0.00 H new ATOM 0 HE2 TYR A 43 8.121 2.900 -3.717 1.00 0.00 H new ATOM 0 HH TYR A 43 7.200 5.575 -2.764 1.00 0.00 H new ATOM 627 N ALA A 44 12.409 2.938 1.175 1.00 0.00 N ATOM 628 CA ALA A 44 12.839 3.917 2.165 1.00 0.00 C ATOM 629 C ALA A 44 12.225 5.285 1.887 1.00 0.00 C ATOM 630 O ALA A 44 12.670 6.005 0.994 1.00 0.00 O ATOM 631 CB ALA A 44 14.357 4.013 2.189 1.00 0.00 C ATOM 0 H ALA A 44 12.667 3.167 0.215 1.00 0.00 H new ATOM 0 HA ALA A 44 12.492 3.584 3.143 1.00 0.00 H new ATOM 0 HB1 ALA A 44 14.663 4.748 2.933 1.00 0.00 H new ATOM 0 HB2 ALA A 44 14.779 3.041 2.444 1.00 0.00 H new ATOM 0 HB3 ALA A 44 14.718 4.319 1.207 1.00 0.00 H new ATOM 637 N ALA A 45 11.200 5.637 2.656 1.00 0.00 N ATOM 638 CA ALA A 45 10.526 6.919 2.492 1.00 0.00 C ATOM 639 C ALA A 45 11.531 8.064 2.441 1.00 0.00 C ATOM 640 O ALA A 45 12.242 8.322 3.411 1.00 0.00 O ATOM 641 CB ALA A 45 9.529 7.139 3.620 1.00 0.00 C ATOM 0 H ALA A 45 10.818 5.052 3.399 1.00 0.00 H new ATOM 0 HA ALA A 45 9.987 6.900 1.545 1.00 0.00 H new ATOM 0 HB1 ALA A 45 9.033 8.100 3.485 1.00 0.00 H new ATOM 0 HB2 ALA A 45 8.785 6.342 3.609 1.00 0.00 H new ATOM 0 HB3 ALA A 45 10.053 7.133 4.576 1.00 0.00 H new ATOM 702 N GLU A 50 6.090 9.748 2.998 1.00 0.00 N ATOM 703 CA GLU A 50 6.084 8.391 2.465 1.00 0.00 C ATOM 704 C GLU A 50 6.310 7.369 3.575 1.00 0.00 C ATOM 705 O GLU A 50 6.588 7.730 4.720 1.00 0.00 O ATOM 706 CB GLU A 50 7.161 8.238 1.389 1.00 0.00 C ATOM 707 CG GLU A 50 6.858 9.002 0.111 1.00 0.00 C ATOM 708 CD GLU A 50 5.950 10.193 0.345 1.00 0.00 C ATOM 709 OE1 GLU A 50 4.796 9.984 0.775 1.00 0.00 O ATOM 710 OE2 GLU A 50 6.392 11.335 0.099 1.00 0.00 O ATOM 0 HA GLU A 50 5.106 8.207 2.020 1.00 0.00 H new ATOM 0 HB2 GLU A 50 8.115 8.581 1.790 1.00 0.00 H new ATOM 0 HB3 GLU A 50 7.277 7.181 1.151 1.00 0.00 H new ATOM 0 HG2 GLU A 50 7.793 9.344 -0.334 1.00 0.00 H new ATOM 0 HG3 GLU A 50 6.391 8.329 -0.608 1.00 0.00 H new ATOM 717 N LEU A 51 6.188 6.092 3.229 1.00 0.00 N ATOM 718 CA LEU A 51 6.378 5.016 4.196 1.00 0.00 C ATOM 719 C LEU A 51 7.703 4.299 3.959 1.00 0.00 C ATOM 720 O LEU A 51 8.004 3.883 2.840 1.00 0.00 O ATOM 721 CB LEU A 51 5.222 4.018 4.111 1.00 0.00 C ATOM 722 CG LEU A 51 4.840 3.321 5.417 1.00 0.00 C ATOM 723 CD1 LEU A 51 3.935 2.130 5.142 1.00 0.00 C ATOM 724 CD2 LEU A 51 6.087 2.882 6.172 1.00 0.00 C ATOM 0 H LEU A 51 5.958 5.776 2.287 1.00 0.00 H new ATOM 0 HA LEU A 51 6.398 5.456 5.193 1.00 0.00 H new ATOM 0 HB2 LEU A 51 4.344 4.541 3.731 1.00 0.00 H new ATOM 0 HB3 LEU A 51 5.481 3.255 3.377 1.00 0.00 H new ATOM 0 HG LEU A 51 4.294 4.031 6.038 1.00 0.00 H new ATOM 0 HD11 LEU A 51 3.674 1.647 6.083 1.00 0.00 H new ATOM 0 HD12 LEU A 51 3.027 2.470 4.644 1.00 0.00 H new ATOM 0 HD13 LEU A 51 4.455 1.418 4.501 1.00 0.00 H new ATOM 0 HD21 LEU A 51 5.796 2.388 7.099 1.00 0.00 H new ATOM 0 HD22 LEU A 51 6.660 2.189 5.556 1.00 0.00 H new ATOM 0 HD23 LEU A 51 6.699 3.754 6.402 1.00 0.00 H new ATOM 736 N SER A 52 8.491 4.155 5.020 1.00 0.00 N ATOM 737 CA SER A 52 9.785 3.490 4.927 1.00 0.00 C ATOM 738 C SER A 52 9.719 2.088 5.526 1.00 0.00 C ATOM 739 O SER A 52 9.587 1.925 6.740 1.00 0.00 O ATOM 740 CB SER A 52 10.858 4.312 5.642 1.00 0.00 C ATOM 741 OG SER A 52 10.586 4.410 7.030 1.00 0.00 O ATOM 0 H SER A 52 8.255 4.490 5.954 1.00 0.00 H new ATOM 0 HA SER A 52 10.047 3.404 3.872 1.00 0.00 H new ATOM 0 HB2 SER A 52 11.834 3.851 5.491 1.00 0.00 H new ATOM 0 HB3 SER A 52 10.906 5.310 5.206 1.00 0.00 H new ATOM 0 HG SER A 52 10.146 3.590 7.336 1.00 0.00 H new ATOM 747 N PHE A 53 9.811 1.079 4.667 1.00 0.00 N ATOM 748 CA PHE A 53 9.760 -0.310 5.110 1.00 0.00 C ATOM 749 C PHE A 53 10.856 -1.134 4.441 1.00 0.00 C ATOM 750 O PHE A 53 11.554 -0.651 3.549 1.00 0.00 O ATOM 751 CB PHE A 53 8.390 -0.916 4.801 1.00 0.00 C ATOM 752 CG PHE A 53 7.937 -0.685 3.388 1.00 0.00 C ATOM 753 CD1 PHE A 53 8.316 -1.551 2.374 1.00 0.00 C ATOM 754 CD2 PHE A 53 7.131 0.397 3.073 1.00 0.00 C ATOM 755 CE1 PHE A 53 7.901 -1.340 1.073 1.00 0.00 C ATOM 756 CE2 PHE A 53 6.712 0.612 1.773 1.00 0.00 C ATOM 757 CZ PHE A 53 7.097 -0.258 0.772 1.00 0.00 C ATOM 0 H PHE A 53 9.921 1.197 3.660 1.00 0.00 H new ATOM 0 HA PHE A 53 9.922 -0.328 6.188 1.00 0.00 H new ATOM 0 HB2 PHE A 53 8.425 -1.989 4.992 1.00 0.00 H new ATOM 0 HB3 PHE A 53 7.653 -0.494 5.484 1.00 0.00 H new ATOM 0 HD1 PHE A 53 8.943 -2.400 2.603 1.00 0.00 H new ATOM 0 HD2 PHE A 53 6.826 1.080 3.852 1.00 0.00 H new ATOM 0 HE1 PHE A 53 8.205 -2.021 0.292 1.00 0.00 H new ATOM 0 HE2 PHE A 53 6.084 1.460 1.541 1.00 0.00 H new ATOM 0 HZ PHE A 53 6.770 -0.093 -0.244 1.00 0.00 H new ATOM 767 N SER A 54 11.002 -2.381 4.878 1.00 0.00 N ATOM 768 CA SER A 54 12.015 -3.272 4.326 1.00 0.00 C ATOM 769 C SER A 54 11.369 -4.407 3.537 1.00 0.00 C ATOM 770 O SER A 54 10.178 -4.682 3.685 1.00 0.00 O ATOM 771 CB SER A 54 12.886 -3.844 5.445 1.00 0.00 C ATOM 772 OG SER A 54 12.108 -4.586 6.369 1.00 0.00 O ATOM 0 H SER A 54 10.431 -2.797 5.613 1.00 0.00 H new ATOM 0 HA SER A 54 12.642 -2.693 3.648 1.00 0.00 H new ATOM 0 HB2 SER A 54 13.658 -4.484 5.018 1.00 0.00 H new ATOM 0 HB3 SER A 54 13.396 -3.032 5.964 1.00 0.00 H new ATOM 0 HG SER A 54 12.689 -4.942 7.074 1.00 0.00 H new ATOM 778 N LYS A 55 12.163 -5.063 2.699 1.00 0.00 N ATOM 779 CA LYS A 55 11.672 -6.170 1.886 1.00 0.00 C ATOM 780 C LYS A 55 11.033 -7.244 2.760 1.00 0.00 C ATOM 781 O LYS A 55 11.702 -7.868 3.583 1.00 0.00 O ATOM 782 CB LYS A 55 12.815 -6.776 1.068 1.00 0.00 C ATOM 783 CG LYS A 55 12.422 -8.033 0.312 1.00 0.00 C ATOM 784 CD LYS A 55 13.576 -8.568 -0.519 1.00 0.00 C ATOM 785 CE LYS A 55 13.482 -10.076 -0.697 1.00 0.00 C ATOM 786 NZ LYS A 55 12.674 -10.443 -1.893 1.00 0.00 N ATOM 0 H LYS A 55 13.151 -4.847 2.564 1.00 0.00 H new ATOM 0 HA LYS A 55 10.914 -5.781 1.206 1.00 0.00 H new ATOM 0 HB2 LYS A 55 13.176 -6.033 0.357 1.00 0.00 H new ATOM 0 HB3 LYS A 55 13.645 -7.008 1.735 1.00 0.00 H new ATOM 0 HG2 LYS A 55 12.097 -8.797 1.018 1.00 0.00 H new ATOM 0 HG3 LYS A 55 11.574 -7.818 -0.338 1.00 0.00 H new ATOM 0 HD2 LYS A 55 13.577 -8.085 -1.496 1.00 0.00 H new ATOM 0 HD3 LYS A 55 14.521 -8.315 -0.037 1.00 0.00 H new ATOM 0 HE2 LYS A 55 14.484 -10.494 -0.793 1.00 0.00 H new ATOM 0 HE3 LYS A 55 13.036 -10.520 0.193 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 12.633 -11.479 -1.980 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 11.710 -10.066 -1.790 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 13.113 -10.041 -2.746 1.00 0.00 H new ATOM 800 N GLY A 56 9.734 -7.457 2.574 1.00 0.00 N ATOM 801 CA GLY A 56 9.027 -8.458 3.352 1.00 0.00 C ATOM 802 C GLY A 56 8.366 -7.874 4.585 1.00 0.00 C ATOM 803 O GLY A 56 8.022 -8.602 5.516 1.00 0.00 O ATOM 0 H GLY A 56 9.158 -6.954 1.898 1.00 0.00 H new ATOM 0 HA2 GLY A 56 8.269 -8.931 2.727 1.00 0.00 H new ATOM 0 HA3 GLY A 56 9.725 -9.239 3.653 1.00 0.00 H new ATOM 807 N GLN A 57 8.189 -6.557 4.591 1.00 0.00 N ATOM 808 CA GLN A 57 7.567 -5.876 5.720 1.00 0.00 C ATOM 809 C GLN A 57 6.057 -6.090 5.720 1.00 0.00 C ATOM 810 O GLN A 57 5.461 -6.386 4.684 1.00 0.00 O ATOM 811 CB GLN A 57 7.881 -4.380 5.677 1.00 0.00 C ATOM 812 CG GLN A 57 7.592 -3.659 6.984 1.00 0.00 C ATOM 813 CD GLN A 57 8.443 -4.167 8.131 1.00 0.00 C ATOM 814 OE1 GLN A 57 8.161 -5.215 8.713 1.00 0.00 O ATOM 815 NE2 GLN A 57 9.493 -3.425 8.463 1.00 0.00 N ATOM 0 H GLN A 57 8.467 -5.941 3.827 1.00 0.00 H new ATOM 0 HA GLN A 57 7.976 -6.300 6.637 1.00 0.00 H new ATOM 0 HB2 GLN A 57 8.932 -4.245 5.422 1.00 0.00 H new ATOM 0 HB3 GLN A 57 7.298 -3.918 4.880 1.00 0.00 H new ATOM 0 HG2 GLN A 57 7.767 -2.591 6.852 1.00 0.00 H new ATOM 0 HG3 GLN A 57 6.539 -3.781 7.236 1.00 0.00 H new ATOM 0 HE21 GLN A 57 9.690 -2.563 7.954 1.00 0.00 H new ATOM 0 HE22 GLN A 57 10.103 -3.717 9.227 1.00 0.00 H new ATOM 824 N LEU A 58 5.443 -5.940 6.889 1.00 0.00 N ATOM 825 CA LEU A 58 4.001 -6.117 7.024 1.00 0.00 C ATOM 826 C LEU A 58 3.253 -4.876 6.548 1.00 0.00 C ATOM 827 O LEU A 58 3.143 -3.888 7.274 1.00 0.00 O ATOM 828 CB LEU A 58 3.639 -6.418 8.480 1.00 0.00 C ATOM 829 CG LEU A 58 2.250 -5.966 8.933 1.00 0.00 C ATOM 830 CD1 LEU A 58 1.196 -6.384 7.920 1.00 0.00 C ATOM 831 CD2 LEU A 58 1.927 -6.532 10.307 1.00 0.00 C ATOM 0 H LEU A 58 5.921 -5.696 7.757 1.00 0.00 H new ATOM 0 HA LEU A 58 3.703 -6.959 6.400 1.00 0.00 H new ATOM 0 HB2 LEU A 58 3.719 -7.493 8.639 1.00 0.00 H new ATOM 0 HB3 LEU A 58 4.381 -5.945 9.123 1.00 0.00 H new ATOM 0 HG LEU A 58 2.247 -4.878 9.001 1.00 0.00 H new ATOM 0 HD11 LEU A 58 0.214 -6.054 8.259 1.00 0.00 H new ATOM 0 HD12 LEU A 58 1.418 -5.929 6.955 1.00 0.00 H new ATOM 0 HD13 LEU A 58 1.199 -7.469 7.819 1.00 0.00 H new ATOM 0 HD21 LEU A 58 0.935 -6.200 10.613 1.00 0.00 H new ATOM 0 HD22 LEU A 58 1.949 -7.621 10.266 1.00 0.00 H new ATOM 0 HD23 LEU A 58 2.666 -6.181 11.028 1.00 0.00 H new ATOM 843 N ILE A 59 2.737 -4.936 5.324 1.00 0.00 N ATOM 844 CA ILE A 59 1.996 -3.819 4.753 1.00 0.00 C ATOM 845 C ILE A 59 0.570 -4.228 4.401 1.00 0.00 C ATOM 846 O ILE A 59 0.353 -5.188 3.664 1.00 0.00 O ATOM 847 CB ILE A 59 2.688 -3.271 3.490 1.00 0.00 C ATOM 848 CG1 ILE A 59 3.982 -2.547 3.865 1.00 0.00 C ATOM 849 CG2 ILE A 59 1.752 -2.339 2.735 1.00 0.00 C ATOM 850 CD1 ILE A 59 5.035 -2.590 2.779 1.00 0.00 C ATOM 0 H ILE A 59 2.819 -5.746 4.710 1.00 0.00 H new ATOM 0 HA ILE A 59 1.970 -3.037 5.512 1.00 0.00 H new ATOM 0 HB ILE A 59 2.938 -4.108 2.838 1.00 0.00 H new ATOM 0 HG12 ILE A 59 3.753 -1.507 4.097 1.00 0.00 H new ATOM 0 HG13 ILE A 59 4.389 -2.994 4.772 1.00 0.00 H new ATOM 0 HG21 ILE A 59 2.255 -1.960 1.845 1.00 0.00 H new ATOM 0 HG22 ILE A 59 0.855 -2.884 2.440 1.00 0.00 H new ATOM 0 HG23 ILE A 59 1.474 -1.504 3.378 1.00 0.00 H new ATOM 0 HD11 ILE A 59 5.925 -2.057 3.114 1.00 0.00 H new ATOM 0 HD12 ILE A 59 5.293 -3.627 2.563 1.00 0.00 H new ATOM 0 HD13 ILE A 59 4.647 -2.117 1.877 1.00 0.00 H new ATOM 862 N ASN A 60 -0.399 -3.490 4.932 1.00 0.00 N ATOM 863 CA ASN A 60 -1.806 -3.775 4.673 1.00 0.00 C ATOM 864 C ASN A 60 -2.462 -2.627 3.912 1.00 0.00 C ATOM 865 O ASN A 60 -2.704 -1.556 4.469 1.00 0.00 O ATOM 866 CB ASN A 60 -2.549 -4.020 5.988 1.00 0.00 C ATOM 867 CG ASN A 60 -3.713 -4.978 5.824 1.00 0.00 C ATOM 868 OD1 ASN A 60 -4.638 -4.639 4.935 1.00 0.00 O flip ATOM 869 ND2 ASN A 60 -3.779 -6.012 6.490 1.00 0.00 N flip ATOM 0 H ASN A 60 -0.236 -2.690 5.544 1.00 0.00 H new ATOM 0 HA ASN A 60 -1.862 -4.674 4.059 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -1.854 -4.420 6.726 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -2.916 -3.070 6.378 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -3.045 -6.233 7.163 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -4.568 -6.647 6.369 1.00 0.00 H new ATOM 876 N VAL A 61 -2.749 -2.859 2.635 1.00 0.00 N ATOM 877 CA VAL A 61 -3.379 -1.845 1.797 1.00 0.00 C ATOM 878 C VAL A 61 -4.744 -1.447 2.348 1.00 0.00 C ATOM 879 O VAL A 61 -5.655 -2.270 2.433 1.00 0.00 O ATOM 880 CB VAL A 61 -3.548 -2.341 0.348 1.00 0.00 C ATOM 881 CG1 VAL A 61 -4.253 -1.291 -0.497 1.00 0.00 C ATOM 882 CG2 VAL A 61 -2.198 -2.701 -0.252 1.00 0.00 C ATOM 0 H VAL A 61 -2.555 -3.740 2.158 1.00 0.00 H new ATOM 0 HA VAL A 61 -2.721 -0.976 1.802 1.00 0.00 H new ATOM 0 HB VAL A 61 -4.166 -3.239 0.359 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -4.363 -1.659 -1.517 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -5.238 -1.087 -0.076 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -3.664 -0.374 -0.504 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -2.336 -3.049 -1.276 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -1.554 -1.822 -0.252 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -1.735 -3.490 0.341 1.00 0.00 H new ATOM 892 N MET A 62 -4.877 -0.178 2.723 1.00 0.00 N ATOM 893 CA MET A 62 -6.131 0.330 3.265 1.00 0.00 C ATOM 894 C MET A 62 -6.718 1.408 2.359 1.00 0.00 C ATOM 895 O MET A 62 -7.933 1.493 2.186 1.00 0.00 O ATOM 896 CB MET A 62 -5.913 0.892 4.671 1.00 0.00 C ATOM 897 CG MET A 62 -4.719 1.827 4.774 1.00 0.00 C ATOM 898 SD MET A 62 -4.932 3.089 6.043 1.00 0.00 S ATOM 899 CE MET A 62 -5.994 2.229 7.201 1.00 0.00 C ATOM 0 H MET A 62 -4.132 0.516 2.661 1.00 0.00 H new ATOM 0 HA MET A 62 -6.837 -0.499 3.318 1.00 0.00 H new ATOM 0 HB2 MET A 62 -6.810 1.426 4.983 1.00 0.00 H new ATOM 0 HB3 MET A 62 -5.777 0.064 5.367 1.00 0.00 H new ATOM 0 HG2 MET A 62 -3.824 1.244 4.993 1.00 0.00 H new ATOM 0 HG3 MET A 62 -4.557 2.310 3.810 1.00 0.00 H new ATOM 0 HE1 MET A 62 -5.919 2.699 8.182 1.00 0.00 H new ATOM 0 HE2 MET A 62 -7.026 2.277 6.853 1.00 0.00 H new ATOM 0 HE3 MET A 62 -5.684 1.187 7.274 1.00 0.00 H new ATOM 909 N ASN A 63 -5.846 2.230 1.784 1.00 0.00 N ATOM 910 CA ASN A 63 -6.278 3.304 0.897 1.00 0.00 C ATOM 911 C ASN A 63 -5.600 3.190 -0.466 1.00 0.00 C ATOM 912 O ASN A 63 -4.577 3.826 -0.718 1.00 0.00 O ATOM 913 CB ASN A 63 -5.968 4.666 1.521 1.00 0.00 C ATOM 914 CG ASN A 63 -6.958 5.734 1.099 1.00 0.00 C ATOM 915 OD1 ASN A 63 -7.840 6.117 1.868 1.00 0.00 O ATOM 916 ND2 ASN A 63 -6.816 6.221 -0.128 1.00 0.00 N ATOM 0 H ASN A 63 -4.836 2.173 1.916 1.00 0.00 H new ATOM 0 HA ASN A 63 -7.355 3.214 0.756 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -5.977 4.575 2.607 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -4.962 4.973 1.235 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -7.453 6.942 -0.467 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -6.070 5.874 -0.731 1.00 0.00 H new ATOM 923 N LYS A 64 -6.179 2.375 -1.342 1.00 0.00 N ATOM 924 CA LYS A 64 -5.634 2.178 -2.680 1.00 0.00 C ATOM 925 C LYS A 64 -6.417 2.984 -3.711 1.00 0.00 C ATOM 926 O LYS A 64 -6.479 2.615 -4.884 1.00 0.00 O ATOM 927 CB LYS A 64 -5.660 0.693 -3.049 1.00 0.00 C ATOM 928 CG LYS A 64 -7.060 0.110 -3.126 1.00 0.00 C ATOM 929 CD LYS A 64 -7.062 -1.247 -3.809 1.00 0.00 C ATOM 930 CE LYS A 64 -7.040 -1.110 -5.324 1.00 0.00 C ATOM 931 NZ LYS A 64 -8.312 -0.540 -5.847 1.00 0.00 N ATOM 0 H LYS A 64 -7.026 1.840 -1.149 1.00 0.00 H new ATOM 0 HA LYS A 64 -4.602 2.528 -2.681 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -5.166 0.558 -4.011 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -5.083 0.134 -2.313 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -7.471 0.013 -2.121 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -7.710 0.794 -3.671 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -6.195 -1.821 -3.482 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -7.947 -1.806 -3.506 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -6.207 -0.471 -5.619 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -6.867 -2.087 -5.775 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -8.405 -0.768 -6.857 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -9.115 -0.946 -5.325 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -8.306 0.493 -5.725 1.00 0.00 H new ATOM 945 N ASP A 65 -7.014 4.084 -3.266 1.00 0.00 N ATOM 946 CA ASP A 65 -7.792 4.943 -4.151 1.00 0.00 C ATOM 947 C ASP A 65 -7.188 4.969 -5.552 1.00 0.00 C ATOM 948 O ASP A 65 -7.894 4.800 -6.546 1.00 0.00 O ATOM 949 CB ASP A 65 -7.863 6.363 -3.586 1.00 0.00 C ATOM 950 CG ASP A 65 -8.515 7.337 -4.548 1.00 0.00 C ATOM 951 OD1 ASP A 65 -7.916 7.616 -5.608 1.00 0.00 O ATOM 952 OD2 ASP A 65 -9.625 7.819 -4.242 1.00 0.00 O ATOM 0 H ASP A 65 -6.974 4.402 -2.298 1.00 0.00 H new ATOM 0 HA ASP A 65 -8.801 4.536 -4.217 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -8.423 6.351 -2.651 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -6.856 6.708 -3.351 1.00 0.00 H new ATOM 957 N ASP A 66 -5.879 5.183 -5.622 1.00 0.00 N ATOM 958 CA ASP A 66 -5.180 5.232 -6.901 1.00 0.00 C ATOM 959 C ASP A 66 -4.496 3.901 -7.197 1.00 0.00 C ATOM 960 O ASP A 66 -3.811 3.325 -6.351 1.00 0.00 O ATOM 961 CB ASP A 66 -4.147 6.361 -6.899 1.00 0.00 C ATOM 962 CG ASP A 66 -4.752 7.699 -7.277 1.00 0.00 C ATOM 963 OD1 ASP A 66 -5.885 7.982 -6.837 1.00 0.00 O ATOM 964 OD2 ASP A 66 -4.092 8.462 -8.013 1.00 0.00 O ATOM 0 H ASP A 66 -5.280 5.325 -4.808 1.00 0.00 H new ATOM 0 HA ASP A 66 -5.915 5.424 -7.682 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -3.696 6.436 -5.909 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -3.346 6.118 -7.597 1.00 0.00 H new ATOM 969 N PRO A 67 -4.685 3.398 -8.426 1.00 0.00 N ATOM 970 CA PRO A 67 -4.095 2.129 -8.862 1.00 0.00 C ATOM 971 C PRO A 67 -2.582 2.219 -9.025 1.00 0.00 C ATOM 972 O PRO A 67 -1.909 1.209 -9.231 1.00 0.00 O ATOM 973 CB PRO A 67 -4.765 1.873 -10.215 1.00 0.00 C ATOM 974 CG PRO A 67 -5.151 3.225 -10.708 1.00 0.00 C ATOM 975 CD PRO A 67 -5.489 4.031 -9.485 1.00 0.00 C ATOM 0 HA PRO A 67 -4.255 1.333 -8.134 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -4.083 1.379 -10.907 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -5.636 1.226 -10.109 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -4.335 3.685 -11.265 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -6.004 3.165 -11.384 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -5.230 5.082 -9.612 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -6.555 3.991 -9.259 1.00 0.00 H new ATOM 983 N ASP A 68 -2.052 3.434 -8.932 1.00 0.00 N ATOM 984 CA ASP A 68 -0.617 3.655 -9.068 1.00 0.00 C ATOM 985 C ASP A 68 0.072 3.603 -7.708 1.00 0.00 C ATOM 986 O ASP A 68 1.114 2.966 -7.553 1.00 0.00 O ATOM 987 CB ASP A 68 -0.349 5.004 -9.738 1.00 0.00 C ATOM 988 CG ASP A 68 -1.360 5.323 -10.822 1.00 0.00 C ATOM 989 OD1 ASP A 68 -2.440 5.854 -10.489 1.00 0.00 O ATOM 990 OD2 ASP A 68 -1.070 5.042 -12.004 1.00 0.00 O ATOM 0 H ASP A 68 -2.595 4.281 -8.763 1.00 0.00 H new ATOM 0 HA ASP A 68 -0.209 2.860 -9.692 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -0.368 5.791 -8.984 1.00 0.00 H new ATOM 0 HB3 ASP A 68 0.652 5.000 -10.169 1.00 0.00 H new ATOM 995 N TRP A 69 -0.516 4.278 -6.726 1.00 0.00 N ATOM 996 CA TRP A 69 0.042 4.309 -5.379 1.00 0.00 C ATOM 997 C TRP A 69 -0.953 3.757 -4.365 1.00 0.00 C ATOM 998 O TRP A 69 -2.157 3.984 -4.476 1.00 0.00 O ATOM 999 CB TRP A 69 0.435 5.738 -5.001 1.00 0.00 C ATOM 1000 CG TRP A 69 1.805 6.122 -5.474 1.00 0.00 C ATOM 1001 CD1 TRP A 69 2.191 6.356 -6.763 1.00 0.00 C ATOM 1002 CD2 TRP A 69 2.968 6.315 -4.663 1.00 0.00 C ATOM 1003 NE1 TRP A 69 3.525 6.683 -6.802 1.00 0.00 N ATOM 1004 CE2 TRP A 69 4.025 6.666 -5.527 1.00 0.00 C ATOM 1005 CE3 TRP A 69 3.221 6.228 -3.292 1.00 0.00 C ATOM 1006 CZ2 TRP A 69 5.311 6.927 -5.062 1.00 0.00 C ATOM 1007 CZ3 TRP A 69 4.498 6.487 -2.832 1.00 0.00 C ATOM 1008 CH2 TRP A 69 5.530 6.834 -3.714 1.00 0.00 C ATOM 0 H TRP A 69 -1.379 4.811 -6.838 1.00 0.00 H new ATOM 0 HA TRP A 69 0.932 3.679 -5.366 1.00 0.00 H new ATOM 0 HB2 TRP A 69 -0.294 6.431 -5.421 1.00 0.00 H new ATOM 0 HB3 TRP A 69 0.389 5.845 -3.917 1.00 0.00 H new ATOM 0 HD1 TRP A 69 1.543 6.293 -7.625 1.00 0.00 H new ATOM 0 HE1 TRP A 69 4.057 6.903 -7.644 1.00 0.00 H new ATOM 0 HE3 TRP A 69 2.432 5.963 -2.604 1.00 0.00 H new ATOM 0 HZ2 TRP A 69 6.108 7.193 -5.741 1.00 0.00 H new ATOM 0 HZ3 TRP A 69 4.704 6.421 -1.774 1.00 0.00 H new ATOM 0 HH2 TRP A 69 6.517 7.032 -3.323 1.00 0.00 H new ATOM 1019 N TRP A 70 -0.442 3.031 -3.377 1.00 0.00 N ATOM 1020 CA TRP A 70 -1.288 2.446 -2.342 1.00 0.00 C ATOM 1021 C TRP A 70 -0.824 2.875 -0.954 1.00 0.00 C ATOM 1022 O TRP A 70 0.336 3.237 -0.763 1.00 0.00 O ATOM 1023 CB TRP A 70 -1.277 0.920 -2.448 1.00 0.00 C ATOM 1024 CG TRP A 70 -2.008 0.403 -3.651 1.00 0.00 C ATOM 1025 CD1 TRP A 70 -2.928 1.077 -4.403 1.00 0.00 C ATOM 1026 CD2 TRP A 70 -1.881 -0.896 -4.237 1.00 0.00 C ATOM 1027 NE1 TRP A 70 -3.380 0.274 -5.422 1.00 0.00 N ATOM 1028 CE2 TRP A 70 -2.752 -0.941 -5.343 1.00 0.00 C ATOM 1029 CE3 TRP A 70 -1.114 -2.025 -3.938 1.00 0.00 C ATOM 1030 CZ2 TRP A 70 -2.877 -2.071 -6.146 1.00 0.00 C ATOM 1031 CZ3 TRP A 70 -1.239 -3.147 -4.736 1.00 0.00 C ATOM 1032 CH2 TRP A 70 -2.115 -3.163 -5.830 1.00 0.00 C ATOM 0 H TRP A 70 0.553 2.833 -3.270 1.00 0.00 H new ATOM 0 HA TRP A 70 -2.306 2.806 -2.492 1.00 0.00 H new ATOM 0 HB2 TRP A 70 -0.244 0.573 -2.482 1.00 0.00 H new ATOM 0 HB3 TRP A 70 -1.726 0.497 -1.549 1.00 0.00 H new ATOM 0 HD1 TRP A 70 -3.252 2.091 -4.223 1.00 0.00 H new ATOM 0 HE1 TRP A 70 -4.071 0.539 -6.124 1.00 0.00 H new ATOM 0 HE3 TRP A 70 -0.435 -2.021 -3.098 1.00 0.00 H new ATOM 0 HZ2 TRP A 70 -3.552 -2.086 -6.989 1.00 0.00 H new ATOM 0 HZ3 TRP A 70 -0.652 -4.026 -4.513 1.00 0.00 H new ATOM 0 HH2 TRP A 70 -2.190 -4.054 -6.435 1.00 0.00 H new ATOM 1043 N GLN A 71 -1.738 2.830 0.010 1.00 0.00 N ATOM 1044 CA GLN A 71 -1.421 3.215 1.380 1.00 0.00 C ATOM 1045 C GLN A 71 -1.566 2.027 2.326 1.00 0.00 C ATOM 1046 O GLN A 71 -2.616 1.389 2.381 1.00 0.00 O ATOM 1047 CB GLN A 71 -2.330 4.358 1.835 1.00 0.00 C ATOM 1048 CG GLN A 71 -1.990 4.894 3.216 1.00 0.00 C ATOM 1049 CD GLN A 71 -2.766 6.149 3.562 1.00 0.00 C ATOM 1050 OE1 GLN A 71 -3.740 6.495 2.893 1.00 0.00 O ATOM 1051 NE2 GLN A 71 -2.338 6.839 4.613 1.00 0.00 N ATOM 0 H GLN A 71 -2.703 2.531 -0.132 1.00 0.00 H new ATOM 0 HA GLN A 71 -0.385 3.553 1.405 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -2.265 5.172 1.113 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -3.364 4.012 1.833 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -2.198 4.126 3.961 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -0.922 5.106 3.266 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -1.526 6.516 5.139 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -2.821 7.692 4.894 1.00 0.00 H new ATOM 1060 N GLY A 72 -0.503 1.736 3.070 1.00 0.00 N ATOM 1061 CA GLY A 72 -0.532 0.626 4.004 1.00 0.00 C ATOM 1062 C GLY A 72 -0.008 1.006 5.374 1.00 0.00 C ATOM 1063 O GLY A 72 0.570 2.079 5.549 1.00 0.00 O ATOM 0 H GLY A 72 0.378 2.250 3.042 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -1.555 0.261 4.098 1.00 0.00 H new ATOM 0 HA3 GLY A 72 0.064 -0.195 3.606 1.00 0.00 H new ATOM 1067 N GLU A 73 -0.212 0.126 6.350 1.00 0.00 N ATOM 1068 CA GLU A 73 0.243 0.378 7.712 1.00 0.00 C ATOM 1069 C GLU A 73 1.289 -0.650 8.135 1.00 0.00 C ATOM 1070 O GLU A 73 1.362 -1.744 7.574 1.00 0.00 O ATOM 1071 CB GLU A 73 -0.940 0.347 8.682 1.00 0.00 C ATOM 1072 CG GLU A 73 -1.497 -1.047 8.919 1.00 0.00 C ATOM 1073 CD GLU A 73 -2.299 -1.145 10.202 1.00 0.00 C ATOM 1074 OE1 GLU A 73 -2.941 -0.143 10.579 1.00 0.00 O ATOM 1075 OE2 GLU A 73 -2.284 -2.225 10.829 1.00 0.00 O ATOM 0 H GLU A 73 -0.689 -0.767 6.223 1.00 0.00 H new ATOM 0 HA GLU A 73 0.700 1.367 7.738 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -0.628 0.771 9.636 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -1.734 0.985 8.294 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -2.129 -1.329 8.077 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -0.675 -1.762 8.954 1.00 0.00 H new ATOM 1082 N ILE A 74 2.096 -0.290 9.127 1.00 0.00 N ATOM 1083 CA ILE A 74 3.137 -1.180 9.626 1.00 0.00 C ATOM 1084 C ILE A 74 3.470 -0.875 11.082 1.00 0.00 C ATOM 1085 O ILE A 74 4.135 0.115 11.383 1.00 0.00 O ATOM 1086 CB ILE A 74 4.422 -1.071 8.784 1.00 0.00 C ATOM 1087 CG1 ILE A 74 4.075 -0.876 7.306 1.00 0.00 C ATOM 1088 CG2 ILE A 74 5.285 -2.309 8.972 1.00 0.00 C ATOM 1089 CD1 ILE A 74 5.281 -0.620 6.430 1.00 0.00 C ATOM 0 H ILE A 74 2.049 0.612 9.601 1.00 0.00 H new ATOM 0 HA ILE A 74 2.747 -2.195 9.550 1.00 0.00 H new ATOM 0 HB ILE A 74 4.988 -0.203 9.122 1.00 0.00 H new ATOM 0 HG12 ILE A 74 3.555 -1.762 6.944 1.00 0.00 H new ATOM 0 HG13 ILE A 74 3.383 -0.039 7.211 1.00 0.00 H new ATOM 0 HG21 ILE A 74 6.189 -2.217 8.371 1.00 0.00 H new ATOM 0 HG22 ILE A 74 5.557 -2.407 10.023 1.00 0.00 H new ATOM 0 HG23 ILE A 74 4.728 -3.192 8.657 1.00 0.00 H new ATOM 0 HD11 ILE A 74 4.959 -0.492 5.397 1.00 0.00 H new ATOM 0 HD12 ILE A 74 5.790 0.283 6.767 1.00 0.00 H new ATOM 0 HD13 ILE A 74 5.964 -1.467 6.495 1.00 0.00 H new ATOM 1101 N ASN A 75 3.004 -1.735 11.982 1.00 0.00 N ATOM 1102 CA ASN A 75 3.253 -1.559 13.408 1.00 0.00 C ATOM 1103 C ASN A 75 2.758 -0.196 13.883 1.00 0.00 C ATOM 1104 O ASN A 75 3.432 0.489 14.651 1.00 0.00 O ATOM 1105 CB ASN A 75 4.747 -1.703 13.708 1.00 0.00 C ATOM 1106 CG ASN A 75 5.143 -3.139 13.991 1.00 0.00 C ATOM 1107 OD1 ASN A 75 4.676 -3.746 14.954 1.00 0.00 O ATOM 1108 ND2 ASN A 75 6.010 -3.690 13.149 1.00 0.00 N ATOM 0 H ASN A 75 2.452 -2.560 11.749 1.00 0.00 H new ATOM 0 HA ASN A 75 2.704 -2.333 13.945 1.00 0.00 H new ATOM 0 HB2 ASN A 75 5.323 -1.330 12.861 1.00 0.00 H new ATOM 0 HB3 ASN A 75 5.004 -1.082 14.566 1.00 0.00 H new ATOM 0 HD21 ASN A 75 6.314 -4.654 13.288 1.00 0.00 H new ATOM 0 HD22 ASN A 75 6.372 -3.149 12.363 1.00 0.00 H new ATOM 1115 N GLY A 76 1.573 0.191 13.419 1.00 0.00 N ATOM 1116 CA GLY A 76 1.007 1.470 13.807 1.00 0.00 C ATOM 1117 C GLY A 76 1.596 2.626 13.024 1.00 0.00 C ATOM 1118 O GLY A 76 1.405 3.789 13.381 1.00 0.00 O ATOM 0 H GLY A 76 0.996 -0.358 12.782 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -0.072 1.446 13.657 1.00 0.00 H new ATOM 0 HA3 GLY A 76 1.178 1.632 14.871 1.00 0.00 H new ATOM 1122 N VAL A 77 2.316 2.308 11.953 1.00 0.00 N ATOM 1123 CA VAL A 77 2.936 3.329 11.117 1.00 0.00 C ATOM 1124 C VAL A 77 2.255 3.413 9.755 1.00 0.00 C ATOM 1125 O VAL A 77 2.039 2.397 9.093 1.00 0.00 O ATOM 1126 CB VAL A 77 4.437 3.052 10.912 1.00 0.00 C ATOM 1127 CG1 VAL A 77 4.658 2.197 9.673 1.00 0.00 C ATOM 1128 CG2 VAL A 77 5.211 4.357 10.814 1.00 0.00 C ATOM 0 H VAL A 77 2.484 1.351 11.644 1.00 0.00 H new ATOM 0 HA VAL A 77 2.818 4.279 11.638 1.00 0.00 H new ATOM 0 HB VAL A 77 4.808 2.500 11.776 1.00 0.00 H new ATOM 0 HG11 VAL A 77 5.724 2.012 9.544 1.00 0.00 H new ATOM 0 HG12 VAL A 77 4.136 1.247 9.789 1.00 0.00 H new ATOM 0 HG13 VAL A 77 4.272 2.719 8.797 1.00 0.00 H new ATOM 0 HG21 VAL A 77 6.270 4.142 10.669 1.00 0.00 H new ATOM 0 HG22 VAL A 77 4.840 4.938 9.969 1.00 0.00 H new ATOM 0 HG23 VAL A 77 5.079 4.928 11.733 1.00 0.00 H new ATOM 1138 N THR A 78 1.919 4.630 9.341 1.00 0.00 N ATOM 1139 CA THR A 78 1.262 4.847 8.059 1.00 0.00 C ATOM 1140 C THR A 78 2.085 5.772 7.169 1.00 0.00 C ATOM 1141 O THR A 78 2.753 6.684 7.654 1.00 0.00 O ATOM 1142 CB THR A 78 -0.144 5.448 8.242 1.00 0.00 C ATOM 1143 OG1 THR A 78 -0.055 6.706 8.921 1.00 0.00 O ATOM 1144 CG2 THR A 78 -1.038 4.503 9.031 1.00 0.00 C ATOM 0 H THR A 78 2.091 5.481 9.876 1.00 0.00 H new ATOM 0 HA THR A 78 1.173 3.871 7.581 1.00 0.00 H new ATOM 0 HB THR A 78 -0.582 5.598 7.255 1.00 0.00 H new ATOM 0 HG1 THR A 78 -0.953 7.082 9.032 1.00 0.00 H new ATOM 0 HG21 THR A 78 -2.026 4.949 9.148 1.00 0.00 H new ATOM 0 HG22 THR A 78 -1.128 3.557 8.498 1.00 0.00 H new ATOM 0 HG23 THR A 78 -0.602 4.325 10.014 1.00 0.00 H new ATOM 1152 N GLY A 79 2.032 5.530 5.862 1.00 0.00 N ATOM 1153 CA GLY A 79 2.777 6.350 4.925 1.00 0.00 C ATOM 1154 C GLY A 79 2.264 6.220 3.505 1.00 0.00 C ATOM 1155 O GLY A 79 1.066 6.033 3.284 1.00 0.00 O ATOM 0 H GLY A 79 1.486 4.781 5.436 1.00 0.00 H new ATOM 0 HA2 GLY A 79 2.719 7.394 5.235 1.00 0.00 H new ATOM 0 HA3 GLY A 79 3.829 6.066 4.955 1.00 0.00 H new ATOM 1159 N LEU A 80 3.170 6.321 2.539 1.00 0.00 N ATOM 1160 CA LEU A 80 2.802 6.214 1.131 1.00 0.00 C ATOM 1161 C LEU A 80 3.810 5.362 0.368 1.00 0.00 C ATOM 1162 O LEU A 80 5.003 5.370 0.673 1.00 0.00 O ATOM 1163 CB LEU A 80 2.712 7.605 0.501 1.00 0.00 C ATOM 1164 CG LEU A 80 1.605 8.514 1.035 1.00 0.00 C ATOM 1165 CD1 LEU A 80 1.767 9.927 0.495 1.00 0.00 C ATOM 1166 CD2 LEU A 80 0.236 7.957 0.674 1.00 0.00 C ATOM 0 H LEU A 80 4.164 6.477 2.704 1.00 0.00 H new ATOM 0 HA LEU A 80 1.827 5.730 1.071 1.00 0.00 H new ATOM 0 HB2 LEU A 80 3.668 8.109 0.643 1.00 0.00 H new ATOM 0 HB3 LEU A 80 2.571 7.487 -0.573 1.00 0.00 H new ATOM 0 HG LEU A 80 1.685 8.551 2.121 1.00 0.00 H new ATOM 0 HD11 LEU A 80 0.970 10.560 0.886 1.00 0.00 H new ATOM 0 HD12 LEU A 80 2.733 10.327 0.805 1.00 0.00 H new ATOM 0 HD13 LEU A 80 1.715 9.909 -0.594 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -0.539 8.617 1.062 1.00 0.00 H new ATOM 0 HD22 LEU A 80 0.145 7.889 -0.410 1.00 0.00 H new ATOM 0 HD23 LEU A 80 0.120 6.965 1.111 1.00 0.00 H new ATOM 1178 N PHE A 81 3.323 4.628 -0.628 1.00 0.00 N ATOM 1179 CA PHE A 81 4.182 3.771 -1.437 1.00 0.00 C ATOM 1180 C PHE A 81 3.474 3.348 -2.720 1.00 0.00 C ATOM 1181 O PHE A 81 2.247 3.273 -2.787 1.00 0.00 O ATOM 1182 CB PHE A 81 4.599 2.533 -0.639 1.00 0.00 C ATOM 1183 CG PHE A 81 3.445 1.814 -0.001 1.00 0.00 C ATOM 1184 CD1 PHE A 81 2.488 1.183 -0.779 1.00 0.00 C ATOM 1185 CD2 PHE A 81 3.316 1.770 1.378 1.00 0.00 C ATOM 1186 CE1 PHE A 81 1.425 0.521 -0.195 1.00 0.00 C ATOM 1187 CE2 PHE A 81 2.256 1.109 1.968 1.00 0.00 C ATOM 1188 CZ PHE A 81 1.308 0.485 1.180 1.00 0.00 C ATOM 0 H PHE A 81 2.338 4.610 -0.894 1.00 0.00 H new ATOM 0 HA PHE A 81 5.073 4.340 -1.705 1.00 0.00 H new ATOM 0 HB2 PHE A 81 5.125 1.844 -1.300 1.00 0.00 H new ATOM 0 HB3 PHE A 81 5.304 2.831 0.137 1.00 0.00 H new ATOM 0 HD1 PHE A 81 2.574 1.209 -1.855 1.00 0.00 H new ATOM 0 HD2 PHE A 81 4.053 2.258 1.999 1.00 0.00 H new ATOM 0 HE1 PHE A 81 0.687 0.032 -0.813 1.00 0.00 H new ATOM 0 HE2 PHE A 81 2.168 1.080 3.044 1.00 0.00 H new ATOM 0 HZ PHE A 81 0.477 -0.030 1.639 1.00 0.00 H new ATOM 1198 N PRO A 82 4.265 3.065 -3.766 1.00 0.00 N ATOM 1199 CA PRO A 82 3.737 2.645 -5.068 1.00 0.00 C ATOM 1200 C PRO A 82 3.131 1.246 -5.023 1.00 0.00 C ATOM 1201 O PRO A 82 3.598 0.381 -4.283 1.00 0.00 O ATOM 1202 CB PRO A 82 4.971 2.664 -5.974 1.00 0.00 C ATOM 1203 CG PRO A 82 6.123 2.467 -5.050 1.00 0.00 C ATOM 1204 CD PRO A 82 5.736 3.133 -3.758 1.00 0.00 C ATOM 0 HA PRO A 82 2.930 3.294 -5.410 1.00 0.00 H new ATOM 0 HB2 PRO A 82 4.924 1.873 -6.723 1.00 0.00 H new ATOM 0 HB3 PRO A 82 5.052 3.608 -6.512 1.00 0.00 H new ATOM 0 HG2 PRO A 82 6.324 1.407 -4.898 1.00 0.00 H new ATOM 0 HG3 PRO A 82 7.032 2.908 -5.460 1.00 0.00 H new ATOM 0 HD2 PRO A 82 6.157 2.615 -2.897 1.00 0.00 H new ATOM 0 HD3 PRO A 82 6.090 4.163 -3.715 1.00 0.00 H new ATOM 1212 N SER A 83 2.089 1.033 -5.820 1.00 0.00 N ATOM 1213 CA SER A 83 1.417 -0.260 -5.869 1.00 0.00 C ATOM 1214 C SER A 83 2.237 -1.269 -6.667 1.00 0.00 C ATOM 1215 O SER A 83 1.786 -2.384 -6.928 1.00 0.00 O ATOM 1216 CB SER A 83 0.026 -0.112 -6.489 1.00 0.00 C ATOM 1217 OG SER A 83 0.109 0.079 -7.890 1.00 0.00 O ATOM 0 H SER A 83 1.692 1.739 -6.440 1.00 0.00 H new ATOM 0 HA SER A 83 1.315 -0.628 -4.848 1.00 0.00 H new ATOM 0 HB2 SER A 83 -0.567 -1.001 -6.275 1.00 0.00 H new ATOM 0 HB3 SER A 83 -0.490 0.733 -6.034 1.00 0.00 H new ATOM 0 HG SER A 83 -0.783 0.274 -8.247 1.00 0.00 H new ATOM 1223 N ASN A 84 3.444 -0.869 -7.052 1.00 0.00 N ATOM 1224 CA ASN A 84 4.328 -1.737 -7.822 1.00 0.00 C ATOM 1225 C ASN A 84 5.448 -2.287 -6.944 1.00 0.00 C ATOM 1226 O ASN A 84 6.245 -3.117 -7.384 1.00 0.00 O ATOM 1227 CB ASN A 84 4.922 -0.973 -9.007 1.00 0.00 C ATOM 1228 CG ASN A 84 6.206 -0.250 -8.644 1.00 0.00 C ATOM 1229 OD1 ASN A 84 6.237 0.977 -8.557 1.00 0.00 O ATOM 1230 ND2 ASN A 84 7.273 -1.011 -8.431 1.00 0.00 N ATOM 0 H ASN A 84 3.833 0.051 -6.844 1.00 0.00 H new ATOM 0 HA ASN A 84 3.739 -2.574 -8.197 1.00 0.00 H new ATOM 0 HB2 ASN A 84 5.118 -1.669 -9.823 1.00 0.00 H new ATOM 0 HB3 ASN A 84 4.192 -0.251 -9.373 1.00 0.00 H new ATOM 0 HD21 ASN A 84 8.165 -0.582 -8.184 1.00 0.00 H new ATOM 0 HD22 ASN A 84 7.201 -2.025 -8.514 1.00 0.00 H new ATOM 1237 N TYR A 85 5.502 -1.821 -5.702 1.00 0.00 N ATOM 1238 CA TYR A 85 6.526 -2.265 -4.763 1.00 0.00 C ATOM 1239 C TYR A 85 5.958 -3.286 -3.781 1.00 0.00 C ATOM 1240 O TYR A 85 6.654 -3.750 -2.878 1.00 0.00 O ATOM 1241 CB TYR A 85 7.099 -1.071 -3.998 1.00 0.00 C ATOM 1242 CG TYR A 85 8.293 -0.435 -4.675 1.00 0.00 C ATOM 1243 CD1 TYR A 85 8.160 0.215 -5.895 1.00 0.00 C ATOM 1244 CD2 TYR A 85 9.553 -0.485 -4.093 1.00 0.00 C ATOM 1245 CE1 TYR A 85 9.248 0.796 -6.517 1.00 0.00 C ATOM 1246 CE2 TYR A 85 10.647 0.095 -4.707 1.00 0.00 C ATOM 1247 CZ TYR A 85 10.489 0.734 -5.919 1.00 0.00 C ATOM 1248 OH TYR A 85 11.575 1.312 -6.534 1.00 0.00 O ATOM 0 H TYR A 85 4.849 -1.136 -5.321 1.00 0.00 H new ATOM 0 HA TYR A 85 7.324 -2.740 -5.333 1.00 0.00 H new ATOM 0 HB2 TYR A 85 6.319 -0.320 -3.876 1.00 0.00 H new ATOM 0 HB3 TYR A 85 7.389 -1.396 -2.999 1.00 0.00 H new ATOM 0 HD1 TYR A 85 7.189 0.267 -6.366 1.00 0.00 H new ATOM 0 HD2 TYR A 85 9.680 -0.986 -3.145 1.00 0.00 H new ATOM 0 HE1 TYR A 85 9.127 1.296 -7.467 1.00 0.00 H new ATOM 0 HE2 TYR A 85 11.620 0.048 -4.240 1.00 0.00 H new ATOM 0 HH TYR A 85 12.373 1.180 -5.981 1.00 0.00 H new ATOM 1258 N VAL A 86 4.688 -3.632 -3.966 1.00 0.00 N ATOM 1259 CA VAL A 86 4.025 -4.600 -3.100 1.00 0.00 C ATOM 1260 C VAL A 86 3.261 -5.636 -3.916 1.00 0.00 C ATOM 1261 O VAL A 86 2.786 -5.349 -5.015 1.00 0.00 O ATOM 1262 CB VAL A 86 3.051 -3.908 -2.128 1.00 0.00 C ATOM 1263 CG1 VAL A 86 3.782 -2.874 -1.285 1.00 0.00 C ATOM 1264 CG2 VAL A 86 1.901 -3.269 -2.891 1.00 0.00 C ATOM 0 H VAL A 86 4.098 -3.256 -4.708 1.00 0.00 H new ATOM 0 HA VAL A 86 4.806 -5.099 -2.527 1.00 0.00 H new ATOM 0 HB VAL A 86 2.638 -4.662 -1.458 1.00 0.00 H new ATOM 0 HG11 VAL A 86 3.078 -2.396 -0.604 1.00 0.00 H new ATOM 0 HG12 VAL A 86 4.567 -3.363 -0.709 1.00 0.00 H new ATOM 0 HG13 VAL A 86 4.225 -2.121 -1.937 1.00 0.00 H new ATOM 0 HG21 VAL A 86 1.223 -2.785 -2.188 1.00 0.00 H new ATOM 0 HG22 VAL A 86 2.293 -2.527 -3.586 1.00 0.00 H new ATOM 0 HG23 VAL A 86 1.361 -4.037 -3.446 1.00 0.00 H new ATOM 1274 N LYS A 87 3.145 -6.842 -3.371 1.00 0.00 N ATOM 1275 CA LYS A 87 2.436 -7.922 -4.047 1.00 0.00 C ATOM 1276 C LYS A 87 1.503 -8.648 -3.083 1.00 0.00 C ATOM 1277 O LYS A 87 1.897 -9.002 -1.972 1.00 0.00 O ATOM 1278 CB LYS A 87 3.433 -8.914 -4.652 1.00 0.00 C ATOM 1279 CG LYS A 87 2.868 -9.711 -5.815 1.00 0.00 C ATOM 1280 CD LYS A 87 2.182 -10.980 -5.340 1.00 0.00 C ATOM 1281 CE LYS A 87 1.840 -11.898 -6.504 1.00 0.00 C ATOM 1282 NZ LYS A 87 0.898 -12.979 -6.100 1.00 0.00 N ATOM 0 H LYS A 87 3.533 -7.096 -2.463 1.00 0.00 H new ATOM 0 HA LYS A 87 1.836 -7.485 -4.846 1.00 0.00 H new ATOM 0 HB2 LYS A 87 4.315 -8.370 -4.990 1.00 0.00 H new ATOM 0 HB3 LYS A 87 3.763 -9.604 -3.875 1.00 0.00 H new ATOM 0 HG2 LYS A 87 2.157 -9.097 -6.367 1.00 0.00 H new ATOM 0 HG3 LYS A 87 3.671 -9.967 -6.506 1.00 0.00 H new ATOM 0 HD2 LYS A 87 2.831 -11.505 -4.639 1.00 0.00 H new ATOM 0 HD3 LYS A 87 1.272 -10.722 -4.799 1.00 0.00 H new ATOM 0 HE2 LYS A 87 1.397 -11.313 -7.310 1.00 0.00 H new ATOM 0 HE3 LYS A 87 2.755 -12.342 -6.898 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 0.690 -13.583 -6.921 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 1.330 -13.553 -5.348 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 0.015 -12.557 -5.748 1.00 0.00 H new