USER MOD reduce.3.24.130724 H: found=0, std=0, add=375, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 377 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 54 SER OG : rot -25:sc=-0.00685 USER MOD Set 1.2: A 57 GLN : amide:sc= -1.26 K(o=-1.3,f=-5!) USER MOD Set 2.1: A 40 MET CE :methyl -108:sc= -3.45! (180deg=-6.27!) USER MOD Set 2.2: A 41 TYR OH : rot 30:sc= -0.0852 USER MOD Single : A 35 CYS SG : rot 180:sc= -1.81 USER MOD Single : A 36 GLN : amide:sc= -0.0161 K(o=-0.016,f=-0.88) USER MOD Single : A 43 TYR OH : rot -112:sc= 0.266 USER MOD Single : A 52 SER OG : rot 33:sc= 0.607 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 ASN : amide:sc= -2.78 K(o=-2.8,f=-11!) USER MOD Single : A 62 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 63 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 64 LYS NZ :NH3+ 165:sc= -0.0061 (180deg=-0.134) USER MOD Single : A 71 GLN : amide:sc= 0 K(o=0,f=-0.7) 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 -57:sc= 0.288 USER MOD Single : A 84 ASN : amide:sc= -3.73! C(o=-3.7!,f=-3.9!) USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 87 LYS NZ :NH3+ -159:sc= -0.0379 (180deg=-0.328) USER MOD ----------------------------------------------------------------- ATOM 467 N VAL A 34 -8.275 -3.085 3.343 1.00 0.00 N ATOM 468 CA VAL A 34 -8.944 -3.753 2.234 1.00 0.00 C ATOM 469 C VAL A 34 -8.277 -5.086 1.912 1.00 0.00 C ATOM 470 O VAL A 34 -8.945 -6.057 1.556 1.00 0.00 O ATOM 471 CB VAL A 34 -8.947 -2.874 0.969 1.00 0.00 C ATOM 472 CG1 VAL A 34 -7.573 -2.872 0.317 1.00 0.00 C ATOM 473 CG2 VAL A 34 -10.010 -3.353 -0.009 1.00 0.00 C ATOM 0 HA VAL A 34 -9.973 -3.931 2.546 1.00 0.00 H new ATOM 0 HB VAL A 34 -9.186 -1.851 1.259 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -7.594 -2.246 -0.575 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -6.838 -2.479 1.019 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -7.301 -3.890 0.039 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -9.999 -2.721 -0.897 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -9.803 -4.384 -0.295 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -10.991 -3.297 0.463 1.00 0.00 H new ATOM 483 N CYS A 35 -6.955 -5.125 2.039 1.00 0.00 N ATOM 484 CA CYS A 35 -6.196 -6.339 1.761 1.00 0.00 C ATOM 485 C CYS A 35 -4.809 -6.269 2.392 1.00 0.00 C ATOM 486 O CYS A 35 -4.418 -5.239 2.941 1.00 0.00 O ATOM 487 CB CYS A 35 -6.072 -6.554 0.252 1.00 0.00 C ATOM 488 SG CYS A 35 -5.037 -5.332 -0.586 1.00 0.00 S ATOM 0 H CYS A 35 -6.387 -4.330 2.333 1.00 0.00 H new ATOM 0 HA CYS A 35 -6.733 -7.181 2.198 1.00 0.00 H new ATOM 0 HB2 CYS A 35 -5.662 -7.547 0.070 1.00 0.00 H new ATOM 0 HB3 CYS A 35 -7.068 -6.535 -0.190 1.00 0.00 H new ATOM 0 HG CYS A 35 -4.992 -5.600 -1.857 1.00 0.00 H new ATOM 494 N GLN A 36 -4.071 -7.371 2.311 1.00 0.00 N ATOM 495 CA GLN A 36 -2.728 -7.435 2.876 1.00 0.00 C ATOM 496 C GLN A 36 -1.697 -7.743 1.796 1.00 0.00 C ATOM 497 O GLN A 36 -1.824 -8.724 1.063 1.00 0.00 O ATOM 498 CB GLN A 36 -2.665 -8.496 3.976 1.00 0.00 C ATOM 499 CG GLN A 36 -1.651 -8.184 5.065 1.00 0.00 C ATOM 500 CD GLN A 36 -1.487 -9.323 6.052 1.00 0.00 C ATOM 501 OE1 GLN A 36 -2.211 -10.317 5.997 1.00 0.00 O ATOM 502 NE2 GLN A 36 -0.531 -9.183 6.963 1.00 0.00 N ATOM 0 H GLN A 36 -4.380 -8.232 1.860 1.00 0.00 H new ATOM 0 HA GLN A 36 -2.495 -6.461 3.307 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -3.652 -8.598 4.428 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -2.419 -9.458 3.527 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -0.687 -7.964 4.606 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -1.962 -7.287 5.600 1.00 0.00 H new ATOM 0 HE21 GLN A 36 0.046 -8.342 6.972 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -0.374 -9.917 7.654 1.00 0.00 H new ATOM 511 N VAL A 37 -0.674 -6.898 1.703 1.00 0.00 N ATOM 512 CA VAL A 37 0.380 -7.081 0.712 1.00 0.00 C ATOM 513 C VAL A 37 1.748 -7.180 1.378 1.00 0.00 C ATOM 514 O VAL A 37 1.876 -6.987 2.587 1.00 0.00 O ATOM 515 CB VAL A 37 0.399 -5.925 -0.306 1.00 0.00 C ATOM 516 CG1 VAL A 37 -0.952 -5.794 -0.991 1.00 0.00 C ATOM 517 CG2 VAL A 37 0.790 -4.622 0.375 1.00 0.00 C ATOM 0 H VAL A 37 -0.553 -6.081 2.302 1.00 0.00 H new ATOM 0 HA VAL A 37 0.165 -8.013 0.189 1.00 0.00 H new ATOM 0 HB VAL A 37 1.145 -6.148 -1.069 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -0.919 -4.972 -1.706 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -1.186 -6.721 -1.514 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -1.721 -5.594 -0.244 1.00 0.00 H new ATOM 0 HG21 VAL A 37 0.798 -3.816 -0.359 1.00 0.00 H new ATOM 0 HG22 VAL A 37 0.069 -4.391 1.159 1.00 0.00 H new ATOM 0 HG23 VAL A 37 1.783 -4.724 0.813 1.00 0.00 H new ATOM 527 N ILE A 38 2.767 -7.483 0.581 1.00 0.00 N ATOM 528 CA ILE A 38 4.126 -7.606 1.092 1.00 0.00 C ATOM 529 C ILE A 38 5.103 -6.781 0.263 1.00 0.00 C ATOM 530 O ILE A 38 4.958 -6.667 -0.954 1.00 0.00 O ATOM 531 CB ILE A 38 4.592 -9.074 1.104 1.00 0.00 C ATOM 532 CG1 ILE A 38 5.650 -9.288 2.188 1.00 0.00 C ATOM 533 CG2 ILE A 38 5.137 -9.467 -0.261 1.00 0.00 C ATOM 534 CD1 ILE A 38 5.650 -10.685 2.766 1.00 0.00 C ATOM 0 H ILE A 38 2.677 -7.648 -0.422 1.00 0.00 H new ATOM 0 HA ILE A 38 4.113 -7.229 2.115 1.00 0.00 H new ATOM 0 HB ILE A 38 3.736 -9.710 1.329 1.00 0.00 H new ATOM 0 HG12 ILE A 38 6.634 -9.077 1.770 1.00 0.00 H new ATOM 0 HG13 ILE A 38 5.484 -8.571 2.992 1.00 0.00 H new ATOM 0 HG21 ILE A 38 5.462 -10.507 -0.237 1.00 0.00 H new ATOM 0 HG22 ILE A 38 4.356 -9.348 -1.012 1.00 0.00 H new ATOM 0 HG23 ILE A 38 5.983 -8.828 -0.513 1.00 0.00 H new ATOM 0 HD11 ILE A 38 6.425 -10.763 3.528 1.00 0.00 H new ATOM 0 HD12 ILE A 38 4.678 -10.893 3.214 1.00 0.00 H new ATOM 0 HD13 ILE A 38 5.846 -11.407 1.973 1.00 0.00 H new ATOM 546 N ALA A 39 6.100 -6.208 0.929 1.00 0.00 N ATOM 547 CA ALA A 39 7.104 -5.396 0.253 1.00 0.00 C ATOM 548 C ALA A 39 8.011 -6.258 -0.619 1.00 0.00 C ATOM 549 O ALA A 39 8.538 -7.274 -0.168 1.00 0.00 O ATOM 550 CB ALA A 39 7.928 -4.621 1.270 1.00 0.00 C ATOM 0 H ALA A 39 6.234 -6.291 1.937 1.00 0.00 H new ATOM 0 HA ALA A 39 6.587 -4.688 -0.395 1.00 0.00 H new ATOM 0 HB1 ALA A 39 8.674 -4.019 0.751 1.00 0.00 H new ATOM 0 HB2 ALA A 39 7.273 -3.969 1.848 1.00 0.00 H new ATOM 0 HB3 ALA A 39 8.428 -5.319 1.941 1.00 0.00 H new ATOM 556 N MET A 40 8.187 -5.846 -1.870 1.00 0.00 N ATOM 557 CA MET A 40 9.031 -6.581 -2.805 1.00 0.00 C ATOM 558 C MET A 40 10.480 -6.117 -2.710 1.00 0.00 C ATOM 559 O MET A 40 11.408 -6.903 -2.902 1.00 0.00 O ATOM 560 CB MET A 40 8.519 -6.403 -4.236 1.00 0.00 C ATOM 561 CG MET A 40 7.077 -6.847 -4.426 1.00 0.00 C ATOM 562 SD MET A 40 6.220 -5.900 -5.697 1.00 0.00 S ATOM 563 CE MET A 40 7.434 -5.924 -7.014 1.00 0.00 C ATOM 0 H MET A 40 7.757 -5.007 -2.260 1.00 0.00 H new ATOM 0 HA MET A 40 8.989 -7.638 -2.540 1.00 0.00 H new ATOM 0 HB2 MET A 40 8.607 -5.353 -4.517 1.00 0.00 H new ATOM 0 HB3 MET A 40 9.157 -6.969 -4.914 1.00 0.00 H new ATOM 0 HG2 MET A 40 7.059 -7.904 -4.692 1.00 0.00 H new ATOM 0 HG3 MET A 40 6.543 -6.746 -3.481 1.00 0.00 H new ATOM 0 HE1 MET A 40 7.879 -4.934 -7.116 1.00 0.00 H new ATOM 0 HE2 MET A 40 8.212 -6.650 -6.778 1.00 0.00 H new ATOM 0 HE3 MET A 40 6.950 -6.203 -7.950 1.00 0.00 H new ATOM 573 N TYR A 41 10.668 -4.835 -2.414 1.00 0.00 N ATOM 574 CA TYR A 41 12.005 -4.266 -2.296 1.00 0.00 C ATOM 575 C TYR A 41 12.091 -3.318 -1.104 1.00 0.00 C ATOM 576 O TYR A 41 11.105 -2.680 -0.732 1.00 0.00 O ATOM 577 CB TYR A 41 12.381 -3.524 -3.580 1.00 0.00 C ATOM 578 CG TYR A 41 11.792 -4.139 -4.829 1.00 0.00 C ATOM 579 CD1 TYR A 41 12.324 -5.302 -5.372 1.00 0.00 C ATOM 580 CD2 TYR A 41 10.703 -3.557 -5.466 1.00 0.00 C ATOM 581 CE1 TYR A 41 11.789 -5.867 -6.514 1.00 0.00 C ATOM 582 CE2 TYR A 41 10.160 -4.116 -6.607 1.00 0.00 C ATOM 583 CZ TYR A 41 10.708 -5.270 -7.128 1.00 0.00 C ATOM 584 OH TYR A 41 10.171 -5.830 -8.264 1.00 0.00 O ATOM 0 H TYR A 41 9.911 -4.171 -2.252 1.00 0.00 H new ATOM 0 HA TYR A 41 12.708 -5.084 -2.137 1.00 0.00 H new ATOM 0 HB2 TYR A 41 12.047 -2.489 -3.503 1.00 0.00 H new ATOM 0 HB3 TYR A 41 13.467 -3.503 -3.673 1.00 0.00 H new ATOM 0 HD1 TYR A 41 13.170 -5.772 -4.893 1.00 0.00 H new ATOM 0 HD2 TYR A 41 10.273 -2.652 -5.062 1.00 0.00 H new ATOM 0 HE1 TYR A 41 12.215 -6.771 -6.923 1.00 0.00 H new ATOM 0 HE2 TYR A 41 9.312 -3.652 -7.088 1.00 0.00 H new ATOM 0 HH TYR A 41 10.301 -6.801 -8.243 1.00 0.00 H new ATOM 594 N ASP A 42 13.275 -3.231 -0.510 1.00 0.00 N ATOM 595 CA ASP A 42 13.492 -2.359 0.640 1.00 0.00 C ATOM 596 C ASP A 42 13.170 -0.910 0.291 1.00 0.00 C ATOM 597 O ASP A 42 13.993 -0.202 -0.290 1.00 0.00 O ATOM 598 CB ASP A 42 14.938 -2.471 1.126 1.00 0.00 C ATOM 599 CG ASP A 42 15.449 -3.898 1.101 1.00 0.00 C ATOM 600 OD1 ASP A 42 14.898 -4.738 1.842 1.00 0.00 O ATOM 601 OD2 ASP A 42 16.400 -4.174 0.340 1.00 0.00 O ATOM 0 H ASP A 42 14.100 -3.753 -0.805 1.00 0.00 H new ATOM 0 HA ASP A 42 12.823 -2.678 1.439 1.00 0.00 H new ATOM 0 HB2 ASP A 42 15.578 -1.848 0.500 1.00 0.00 H new ATOM 0 HB3 ASP A 42 15.008 -2.081 2.141 1.00 0.00 H new ATOM 606 N TYR A 43 11.967 -0.474 0.649 1.00 0.00 N ATOM 607 CA TYR A 43 11.534 0.890 0.371 1.00 0.00 C ATOM 608 C TYR A 43 11.987 1.841 1.475 1.00 0.00 C ATOM 609 O TYR A 43 11.814 1.561 2.661 1.00 0.00 O ATOM 610 CB TYR A 43 10.012 0.945 0.228 1.00 0.00 C ATOM 611 CG TYR A 43 9.518 2.164 -0.518 1.00 0.00 C ATOM 612 CD1 TYR A 43 9.654 3.437 0.024 1.00 0.00 C ATOM 613 CD2 TYR A 43 8.914 2.043 -1.763 1.00 0.00 C ATOM 614 CE1 TYR A 43 9.203 4.553 -0.654 1.00 0.00 C ATOM 615 CE2 TYR A 43 8.462 3.154 -2.448 1.00 0.00 C ATOM 616 CZ TYR A 43 8.609 4.407 -1.890 1.00 0.00 C ATOM 617 OH TYR A 43 8.158 5.516 -2.568 1.00 0.00 O ATOM 0 H TYR A 43 11.274 -1.046 1.132 1.00 0.00 H new ATOM 0 HA TYR A 43 11.992 1.206 -0.566 1.00 0.00 H new ATOM 0 HB2 TYR A 43 9.672 0.049 -0.291 1.00 0.00 H new ATOM 0 HB3 TYR A 43 9.561 0.929 1.220 1.00 0.00 H new ATOM 0 HD1 TYR A 43 10.120 3.555 0.991 1.00 0.00 H new ATOM 0 HD2 TYR A 43 8.796 1.064 -2.203 1.00 0.00 H new ATOM 0 HE1 TYR A 43 9.315 5.535 -0.218 1.00 0.00 H new ATOM 0 HE2 TYR A 43 7.996 3.042 -3.416 1.00 0.00 H new ATOM 0 HH TYR A 43 7.179 5.498 -2.611 1.00 0.00 H new ATOM 627 N ALA A 44 12.567 2.968 1.075 1.00 0.00 N ATOM 628 CA ALA A 44 13.043 3.962 2.028 1.00 0.00 C ATOM 629 C ALA A 44 12.379 5.314 1.789 1.00 0.00 C ATOM 630 O ALA A 44 12.653 5.982 0.792 1.00 0.00 O ATOM 631 CB ALA A 44 14.557 4.093 1.943 1.00 0.00 C ATOM 0 H ALA A 44 12.718 3.215 0.097 1.00 0.00 H new ATOM 0 HA ALA A 44 12.774 3.626 3.030 1.00 0.00 H new ATOM 0 HB1 ALA A 44 14.899 4.839 2.661 1.00 0.00 H new ATOM 0 HB2 ALA A 44 15.019 3.132 2.171 1.00 0.00 H new ATOM 0 HB3 ALA A 44 14.840 4.402 0.937 1.00 0.00 H new ATOM 637 N ALA A 45 11.506 5.710 2.709 1.00 0.00 N ATOM 638 CA ALA A 45 10.804 6.983 2.598 1.00 0.00 C ATOM 639 C ALA A 45 11.749 8.154 2.844 1.00 0.00 C ATOM 640 O ALA A 45 12.286 8.311 3.939 1.00 0.00 O ATOM 641 CB ALA A 45 9.638 7.030 3.574 1.00 0.00 C ATOM 0 H ALA A 45 11.268 5.168 3.540 1.00 0.00 H new ATOM 0 HA ALA A 45 10.417 7.069 1.583 1.00 0.00 H new ATOM 0 HB1 ALA A 45 9.123 7.986 3.480 1.00 0.00 H new ATOM 0 HB2 ALA A 45 8.943 6.220 3.350 1.00 0.00 H new ATOM 0 HB3 ALA A 45 10.011 6.917 4.592 1.00 0.00 H new ATOM 702 N GLU A 50 6.338 9.764 3.011 1.00 0.00 N ATOM 703 CA GLU A 50 6.444 8.414 2.471 1.00 0.00 C ATOM 704 C GLU A 50 6.612 7.391 3.591 1.00 0.00 C ATOM 705 O GLU A 50 6.784 7.752 4.756 1.00 0.00 O ATOM 706 CB GLU A 50 7.623 8.320 1.499 1.00 0.00 C ATOM 707 CG GLU A 50 7.393 9.057 0.191 1.00 0.00 C ATOM 708 CD GLU A 50 8.513 8.839 -0.807 1.00 0.00 C ATOM 709 OE1 GLU A 50 9.682 8.751 -0.375 1.00 0.00 O ATOM 710 OE2 GLU A 50 8.222 8.755 -2.018 1.00 0.00 O ATOM 0 HA GLU A 50 5.521 8.192 1.935 1.00 0.00 H new ATOM 0 HB2 GLU A 50 8.514 8.723 1.981 1.00 0.00 H new ATOM 0 HB3 GLU A 50 7.823 7.270 1.285 1.00 0.00 H new ATOM 0 HG2 GLU A 50 6.452 8.726 -0.247 1.00 0.00 H new ATOM 0 HG3 GLU A 50 7.293 10.124 0.392 1.00 0.00 H new ATOM 717 N LEU A 51 6.560 6.114 3.230 1.00 0.00 N ATOM 718 CA LEU A 51 6.706 5.037 4.204 1.00 0.00 C ATOM 719 C LEU A 51 8.011 4.279 3.986 1.00 0.00 C ATOM 720 O LEU A 51 8.293 3.813 2.882 1.00 0.00 O ATOM 721 CB LEU A 51 5.521 4.074 4.110 1.00 0.00 C ATOM 722 CG LEU A 51 5.072 3.433 5.423 1.00 0.00 C ATOM 723 CD1 LEU A 51 3.954 2.432 5.174 1.00 0.00 C ATOM 724 CD2 LEU A 51 6.247 2.760 6.118 1.00 0.00 C ATOM 0 H LEU A 51 6.418 5.798 2.270 1.00 0.00 H new ATOM 0 HA LEU A 51 6.727 5.481 5.199 1.00 0.00 H new ATOM 0 HB2 LEU A 51 4.674 4.612 3.683 1.00 0.00 H new ATOM 0 HB3 LEU A 51 5.779 3.279 3.410 1.00 0.00 H new ATOM 0 HG LEU A 51 4.691 4.218 6.076 1.00 0.00 H new ATOM 0 HD11 LEU A 51 3.648 1.986 6.120 1.00 0.00 H new ATOM 0 HD12 LEU A 51 3.104 2.942 4.721 1.00 0.00 H new ATOM 0 HD13 LEU A 51 4.309 1.650 4.502 1.00 0.00 H new ATOM 0 HD21 LEU A 51 5.908 2.309 7.051 1.00 0.00 H new ATOM 0 HD22 LEU A 51 6.659 1.986 5.470 1.00 0.00 H new ATOM 0 HD23 LEU A 51 7.017 3.502 6.332 1.00 0.00 H new ATOM 736 N SER A 52 8.803 4.157 5.047 1.00 0.00 N ATOM 737 CA SER A 52 10.079 3.456 4.971 1.00 0.00 C ATOM 738 C SER A 52 9.955 2.040 5.527 1.00 0.00 C ATOM 739 O SER A 52 9.668 1.848 6.709 1.00 0.00 O ATOM 740 CB SER A 52 11.154 4.226 5.740 1.00 0.00 C ATOM 741 OG SER A 52 10.866 4.256 7.127 1.00 0.00 O ATOM 0 H SER A 52 8.583 4.534 5.969 1.00 0.00 H new ATOM 0 HA SER A 52 10.369 3.392 3.922 1.00 0.00 H new ATOM 0 HB2 SER A 52 12.126 3.760 5.577 1.00 0.00 H new ATOM 0 HB3 SER A 52 11.220 5.244 5.357 1.00 0.00 H new ATOM 0 HG SER A 52 10.418 3.424 7.386 1.00 0.00 H new ATOM 747 N PHE A 53 10.175 1.052 4.666 1.00 0.00 N ATOM 748 CA PHE A 53 10.087 -0.347 5.070 1.00 0.00 C ATOM 749 C PHE A 53 11.136 -1.187 4.348 1.00 0.00 C ATOM 750 O PHE A 53 11.829 -0.702 3.454 1.00 0.00 O ATOM 751 CB PHE A 53 8.689 -0.896 4.780 1.00 0.00 C ATOM 752 CG PHE A 53 8.229 -0.653 3.371 1.00 0.00 C ATOM 753 CD1 PHE A 53 7.621 0.542 3.023 1.00 0.00 C ATOM 754 CD2 PHE A 53 8.405 -1.621 2.395 1.00 0.00 C ATOM 755 CE1 PHE A 53 7.197 0.769 1.727 1.00 0.00 C ATOM 756 CE2 PHE A 53 7.984 -1.399 1.097 1.00 0.00 C ATOM 757 CZ PHE A 53 7.378 -0.204 0.763 1.00 0.00 C ATOM 0 H PHE A 53 10.415 1.194 3.685 1.00 0.00 H new ATOM 0 HA PHE A 53 10.276 -0.403 6.142 1.00 0.00 H new ATOM 0 HB2 PHE A 53 8.681 -1.968 4.976 1.00 0.00 H new ATOM 0 HB3 PHE A 53 7.978 -0.440 5.469 1.00 0.00 H new ATOM 0 HD1 PHE A 53 7.477 1.305 3.773 1.00 0.00 H new ATOM 0 HD2 PHE A 53 8.876 -2.559 2.651 1.00 0.00 H new ATOM 0 HE1 PHE A 53 6.725 1.705 1.468 1.00 0.00 H new ATOM 0 HE2 PHE A 53 8.129 -2.160 0.344 1.00 0.00 H new ATOM 0 HZ PHE A 53 7.046 -0.030 -0.250 1.00 0.00 H new ATOM 767 N SER A 54 11.247 -2.452 4.743 1.00 0.00 N ATOM 768 CA SER A 54 12.214 -3.360 4.138 1.00 0.00 C ATOM 769 C SER A 54 11.507 -4.494 3.402 1.00 0.00 C ATOM 770 O SER A 54 10.321 -4.745 3.616 1.00 0.00 O ATOM 771 CB SER A 54 13.146 -3.933 5.207 1.00 0.00 C ATOM 772 OG SER A 54 12.432 -4.743 6.125 1.00 0.00 O ATOM 0 H SER A 54 10.679 -2.871 5.479 1.00 0.00 H new ATOM 0 HA SER A 54 12.805 -2.795 3.417 1.00 0.00 H new ATOM 0 HB2 SER A 54 13.931 -4.521 4.732 1.00 0.00 H new ATOM 0 HB3 SER A 54 13.637 -3.119 5.741 1.00 0.00 H new ATOM 0 HG SER A 54 11.491 -4.469 6.140 1.00 0.00 H new ATOM 778 N LYS A 55 12.245 -5.178 2.534 1.00 0.00 N ATOM 779 CA LYS A 55 11.692 -6.287 1.766 1.00 0.00 C ATOM 780 C LYS A 55 11.075 -7.334 2.689 1.00 0.00 C ATOM 781 O LYS A 55 11.780 -8.002 3.444 1.00 0.00 O ATOM 782 CB LYS A 55 12.780 -6.930 0.903 1.00 0.00 C ATOM 783 CG LYS A 55 12.333 -8.205 0.210 1.00 0.00 C ATOM 784 CD LYS A 55 13.342 -8.657 -0.833 1.00 0.00 C ATOM 785 CE LYS A 55 12.704 -9.573 -1.866 1.00 0.00 C ATOM 786 NZ LYS A 55 13.707 -10.463 -2.512 1.00 0.00 N ATOM 0 H LYS A 55 13.228 -4.983 2.345 1.00 0.00 H new ATOM 0 HA LYS A 55 10.909 -5.893 1.118 1.00 0.00 H new ATOM 0 HB2 LYS A 55 13.106 -6.212 0.150 1.00 0.00 H new ATOM 0 HB3 LYS A 55 13.645 -7.151 1.529 1.00 0.00 H new ATOM 0 HG2 LYS A 55 12.196 -8.993 0.950 1.00 0.00 H new ATOM 0 HG3 LYS A 55 11.366 -8.042 -0.265 1.00 0.00 H new ATOM 0 HD2 LYS A 55 13.767 -7.786 -1.331 1.00 0.00 H new ATOM 0 HD3 LYS A 55 14.165 -9.177 -0.343 1.00 0.00 H new ATOM 0 HE2 LYS A 55 11.935 -10.179 -1.388 1.00 0.00 H new ATOM 0 HE3 LYS A 55 12.208 -8.972 -2.628 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 13.233 -11.072 -3.209 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 14.427 -9.885 -2.990 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 14.163 -11.055 -1.789 1.00 0.00 H new ATOM 800 N GLY A 56 9.755 -7.472 2.621 1.00 0.00 N ATOM 801 CA GLY A 56 9.066 -8.441 3.454 1.00 0.00 C ATOM 802 C GLY A 56 8.457 -7.812 4.691 1.00 0.00 C ATOM 803 O GLY A 56 8.235 -8.490 5.694 1.00 0.00 O ATOM 0 H GLY A 56 9.150 -6.930 2.004 1.00 0.00 H new ATOM 0 HA2 GLY A 56 8.281 -8.924 2.872 1.00 0.00 H new ATOM 0 HA3 GLY A 56 9.766 -9.221 3.754 1.00 0.00 H new ATOM 807 N GLN A 57 8.188 -6.512 4.621 1.00 0.00 N ATOM 808 CA GLN A 57 7.603 -5.791 5.746 1.00 0.00 C ATOM 809 C GLN A 57 6.100 -6.037 5.827 1.00 0.00 C ATOM 810 O GLN A 57 5.474 -6.449 4.849 1.00 0.00 O ATOM 811 CB GLN A 57 7.881 -4.293 5.618 1.00 0.00 C ATOM 812 CG GLN A 57 7.983 -3.577 6.956 1.00 0.00 C ATOM 813 CD GLN A 57 9.172 -4.039 7.776 1.00 0.00 C ATOM 814 OE1 GLN A 57 9.782 -5.067 7.481 1.00 0.00 O ATOM 815 NE2 GLN A 57 9.507 -3.280 8.812 1.00 0.00 N ATOM 0 H GLN A 57 8.366 -5.937 3.798 1.00 0.00 H new ATOM 0 HA GLN A 57 8.063 -6.161 6.662 1.00 0.00 H new ATOM 0 HB2 GLN A 57 8.811 -4.150 5.067 1.00 0.00 H new ATOM 0 HB3 GLN A 57 7.087 -3.834 5.029 1.00 0.00 H new ATOM 0 HG2 GLN A 57 8.060 -2.503 6.784 1.00 0.00 H new ATOM 0 HG3 GLN A 57 7.068 -3.744 7.524 1.00 0.00 H new ATOM 0 HE21 GLN A 57 8.973 -2.436 9.020 1.00 0.00 H new ATOM 0 HE22 GLN A 57 10.298 -3.541 9.400 1.00 0.00 H new ATOM 824 N LEU A 58 5.527 -5.782 6.998 1.00 0.00 N ATOM 825 CA LEU A 58 4.096 -5.976 7.207 1.00 0.00 C ATOM 826 C LEU A 58 3.309 -4.747 6.763 1.00 0.00 C ATOM 827 O LEU A 58 3.337 -3.708 7.423 1.00 0.00 O ATOM 828 CB LEU A 58 3.812 -6.272 8.681 1.00 0.00 C ATOM 829 CG LEU A 58 2.475 -5.763 9.222 1.00 0.00 C ATOM 830 CD1 LEU A 58 1.326 -6.259 8.357 1.00 0.00 C ATOM 831 CD2 LEU A 58 2.284 -6.199 10.667 1.00 0.00 C ATOM 0 H LEU A 58 6.031 -5.441 7.817 1.00 0.00 H new ATOM 0 HA LEU A 58 3.778 -6.826 6.603 1.00 0.00 H new ATOM 0 HB2 LEU A 58 3.854 -7.351 8.829 1.00 0.00 H new ATOM 0 HB3 LEU A 58 4.613 -5.837 9.279 1.00 0.00 H new ATOM 0 HG LEU A 58 2.483 -4.673 9.190 1.00 0.00 H new ATOM 0 HD11 LEU A 58 0.383 -5.887 8.757 1.00 0.00 H new ATOM 0 HD12 LEU A 58 1.456 -5.897 7.337 1.00 0.00 H new ATOM 0 HD13 LEU A 58 1.315 -7.349 8.356 1.00 0.00 H new ATOM 0 HD21 LEU A 58 1.328 -5.828 11.036 1.00 0.00 H new ATOM 0 HD22 LEU A 58 2.297 -7.287 10.723 1.00 0.00 H new ATOM 0 HD23 LEU A 58 3.090 -5.794 11.279 1.00 0.00 H new ATOM 843 N ILE A 59 2.608 -4.874 5.641 1.00 0.00 N ATOM 844 CA ILE A 59 1.811 -3.775 5.111 1.00 0.00 C ATOM 845 C ILE A 59 0.388 -4.227 4.801 1.00 0.00 C ATOM 846 O ILE A 59 0.179 -5.270 4.182 1.00 0.00 O ATOM 847 CB ILE A 59 2.441 -3.188 3.834 1.00 0.00 C ATOM 848 CG1 ILE A 59 3.818 -2.597 4.143 1.00 0.00 C ATOM 849 CG2 ILE A 59 1.528 -2.131 3.230 1.00 0.00 C ATOM 850 CD1 ILE A 59 4.654 -2.334 2.910 1.00 0.00 C ATOM 0 H ILE A 59 2.576 -5.727 5.082 1.00 0.00 H new ATOM 0 HA ILE A 59 1.785 -3.004 5.881 1.00 0.00 H new ATOM 0 HB ILE A 59 2.566 -3.990 3.107 1.00 0.00 H new ATOM 0 HG12 ILE A 59 3.689 -1.663 4.690 1.00 0.00 H new ATOM 0 HG13 ILE A 59 4.358 -3.279 4.799 1.00 0.00 H new ATOM 0 HG21 ILE A 59 1.987 -1.726 2.328 1.00 0.00 H new ATOM 0 HG22 ILE A 59 0.568 -2.581 2.977 1.00 0.00 H new ATOM 0 HG23 ILE A 59 1.374 -1.328 3.951 1.00 0.00 H new ATOM 0 HD11 ILE A 59 5.616 -1.916 3.205 1.00 0.00 H new ATOM 0 HD12 ILE A 59 4.814 -3.269 2.373 1.00 0.00 H new ATOM 0 HD13 ILE A 59 4.135 -1.628 2.262 1.00 0.00 H new ATOM 862 N ASN A 60 -0.586 -3.434 5.233 1.00 0.00 N ATOM 863 CA ASN A 60 -1.991 -3.752 5.001 1.00 0.00 C ATOM 864 C ASN A 60 -2.686 -2.623 4.246 1.00 0.00 C ATOM 865 O ASN A 60 -3.051 -1.603 4.831 1.00 0.00 O ATOM 866 CB ASN A 60 -2.704 -4.007 6.330 1.00 0.00 C ATOM 867 CG ASN A 60 -2.009 -5.065 7.165 1.00 0.00 C ATOM 868 OD1 ASN A 60 -1.029 -5.671 6.730 1.00 0.00 O ATOM 869 ND2 ASN A 60 -2.515 -5.293 8.372 1.00 0.00 N ATOM 0 H ASN A 60 -0.429 -2.566 5.746 1.00 0.00 H new ATOM 0 HA ASN A 60 -2.038 -4.655 4.393 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -2.755 -3.077 6.896 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -3.730 -4.318 6.135 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -2.090 -5.994 8.979 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -3.328 -4.767 8.692 1.00 0.00 H new ATOM 876 N VAL A 61 -2.868 -2.814 2.943 1.00 0.00 N ATOM 877 CA VAL A 61 -3.521 -1.813 2.108 1.00 0.00 C ATOM 878 C VAL A 61 -4.915 -1.487 2.631 1.00 0.00 C ATOM 879 O VAL A 61 -5.736 -2.380 2.839 1.00 0.00 O ATOM 880 CB VAL A 61 -3.631 -2.287 0.646 1.00 0.00 C ATOM 881 CG1 VAL A 61 -4.229 -1.194 -0.226 1.00 0.00 C ATOM 882 CG2 VAL A 61 -2.268 -2.714 0.121 1.00 0.00 C ATOM 0 H VAL A 61 -2.572 -3.653 2.443 1.00 0.00 H new ATOM 0 HA VAL A 61 -2.903 -0.916 2.146 1.00 0.00 H new ATOM 0 HB VAL A 61 -4.295 -3.150 0.611 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -4.299 -1.547 -1.255 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -5.224 -0.941 0.139 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -3.593 -0.310 -0.188 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -2.364 -3.046 -0.913 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -1.579 -1.871 0.169 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -1.883 -3.532 0.730 1.00 0.00 H new ATOM 892 N MET A 62 -5.176 -0.200 2.840 1.00 0.00 N ATOM 893 CA MET A 62 -6.473 0.245 3.338 1.00 0.00 C ATOM 894 C MET A 62 -7.227 1.027 2.267 1.00 0.00 C ATOM 895 O MET A 62 -8.450 0.938 2.166 1.00 0.00 O ATOM 896 CB MET A 62 -6.295 1.110 4.587 1.00 0.00 C ATOM 897 CG MET A 62 -5.333 0.518 5.604 1.00 0.00 C ATOM 898 SD MET A 62 -4.515 1.777 6.602 1.00 0.00 S ATOM 899 CE MET A 62 -5.622 1.866 8.007 1.00 0.00 C ATOM 0 H MET A 62 -4.507 0.552 2.672 1.00 0.00 H new ATOM 0 HA MET A 62 -7.057 -0.638 3.597 1.00 0.00 H new ATOM 0 HB2 MET A 62 -5.935 2.095 4.289 1.00 0.00 H new ATOM 0 HB3 MET A 62 -7.266 1.256 5.060 1.00 0.00 H new ATOM 0 HG2 MET A 62 -5.877 -0.163 6.259 1.00 0.00 H new ATOM 0 HG3 MET A 62 -4.580 -0.074 5.084 1.00 0.00 H new ATOM 0 HE1 MET A 62 -5.250 2.605 8.717 1.00 0.00 H new ATOM 0 HE2 MET A 62 -6.617 2.156 7.669 1.00 0.00 H new ATOM 0 HE3 MET A 62 -5.674 0.891 8.492 1.00 0.00 H new ATOM 909 N ASN A 63 -6.489 1.792 1.470 1.00 0.00 N ATOM 910 CA ASN A 63 -7.088 2.591 0.407 1.00 0.00 C ATOM 911 C ASN A 63 -6.255 2.512 -0.869 1.00 0.00 C ATOM 912 O ASN A 63 -5.161 3.073 -0.945 1.00 0.00 O ATOM 913 CB ASN A 63 -7.225 4.049 0.851 1.00 0.00 C ATOM 914 CG ASN A 63 -8.550 4.322 1.537 1.00 0.00 C ATOM 915 OD1 ASN A 63 -8.611 4.468 2.758 1.00 0.00 O ATOM 916 ND2 ASN A 63 -9.619 4.392 0.752 1.00 0.00 N ATOM 0 H ASN A 63 -5.475 1.876 1.540 1.00 0.00 H new ATOM 0 HA ASN A 63 -8.079 2.187 0.198 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -6.409 4.297 1.530 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -7.127 4.701 -0.017 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -10.538 4.573 1.156 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -9.521 4.265 -0.255 1.00 0.00 H new ATOM 923 N LYS A 64 -6.779 1.813 -1.870 1.00 0.00 N ATOM 924 CA LYS A 64 -6.086 1.662 -3.143 1.00 0.00 C ATOM 925 C LYS A 64 -6.778 2.467 -4.238 1.00 0.00 C ATOM 926 O LYS A 64 -6.827 2.046 -5.394 1.00 0.00 O ATOM 927 CB LYS A 64 -6.025 0.185 -3.542 1.00 0.00 C ATOM 928 CG LYS A 64 -7.377 -0.401 -3.909 1.00 0.00 C ATOM 929 CD LYS A 64 -7.241 -1.528 -4.920 1.00 0.00 C ATOM 930 CE LYS A 64 -6.899 -2.846 -4.243 1.00 0.00 C ATOM 931 NZ LYS A 64 -8.066 -3.412 -3.511 1.00 0.00 N ATOM 0 H LYS A 64 -7.682 1.342 -1.824 1.00 0.00 H new ATOM 0 HA LYS A 64 -5.071 2.042 -3.023 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -5.348 0.074 -4.389 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -5.601 -0.388 -2.718 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -7.869 -0.774 -3.011 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -8.015 0.382 -4.319 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -8.173 -1.634 -5.476 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -6.465 -1.277 -5.644 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -6.558 -3.561 -4.992 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -6.073 -2.694 -3.548 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -7.881 -4.409 -3.282 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -8.217 -2.877 -2.632 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -8.915 -3.345 -4.107 1.00 0.00 H new ATOM 945 N ASP A 65 -7.309 3.627 -3.867 1.00 0.00 N ATOM 946 CA ASP A 65 -7.996 4.492 -4.819 1.00 0.00 C ATOM 947 C ASP A 65 -7.134 4.734 -6.054 1.00 0.00 C ATOM 948 O ASP A 65 -7.636 4.764 -7.178 1.00 0.00 O ATOM 949 CB ASP A 65 -8.352 5.827 -4.162 1.00 0.00 C ATOM 950 CG ASP A 65 -9.354 6.623 -4.975 1.00 0.00 C ATOM 951 OD1 ASP A 65 -8.952 7.213 -6.000 1.00 0.00 O ATOM 952 OD2 ASP A 65 -10.541 6.655 -4.587 1.00 0.00 O ATOM 0 H ASP A 65 -7.277 3.990 -2.914 1.00 0.00 H new ATOM 0 HA ASP A 65 -8.913 3.992 -5.130 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -8.760 5.642 -3.168 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -7.445 6.417 -4.030 1.00 0.00 H new ATOM 957 N ASP A 66 -5.835 4.906 -5.838 1.00 0.00 N ATOM 958 CA ASP A 66 -4.902 5.145 -6.934 1.00 0.00 C ATOM 959 C ASP A 66 -4.351 3.830 -7.475 1.00 0.00 C ATOM 960 O ASP A 66 -3.729 3.046 -6.757 1.00 0.00 O ATOM 961 CB ASP A 66 -3.753 6.040 -6.468 1.00 0.00 C ATOM 962 CG ASP A 66 -3.202 6.905 -7.585 1.00 0.00 C ATOM 963 OD1 ASP A 66 -3.027 6.384 -8.707 1.00 0.00 O ATOM 964 OD2 ASP A 66 -2.948 8.102 -7.338 1.00 0.00 O ATOM 0 H ASP A 66 -5.403 4.885 -4.914 1.00 0.00 H new ATOM 0 HA ASP A 66 -5.443 5.649 -7.735 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -4.100 6.679 -5.656 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -2.953 5.419 -6.065 1.00 0.00 H new ATOM 969 N PRO A 67 -4.585 3.579 -8.772 1.00 0.00 N ATOM 970 CA PRO A 67 -4.121 2.359 -9.439 1.00 0.00 C ATOM 971 C PRO A 67 -2.605 2.329 -9.605 1.00 0.00 C ATOM 972 O PRO A 67 -2.048 1.368 -10.135 1.00 0.00 O ATOM 973 CB PRO A 67 -4.808 2.418 -10.805 1.00 0.00 C ATOM 974 CG PRO A 67 -5.057 3.868 -11.041 1.00 0.00 C ATOM 975 CD PRO A 67 -5.319 4.468 -9.688 1.00 0.00 C ATOM 0 HA PRO A 67 -4.361 1.464 -8.865 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -4.176 1.993 -11.585 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -5.739 1.851 -10.805 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -4.197 4.339 -11.517 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -5.909 4.015 -11.705 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -4.958 5.495 -9.627 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -6.384 4.491 -9.458 1.00 0.00 H new ATOM 983 N ASP A 68 -1.944 3.387 -9.148 1.00 0.00 N ATOM 984 CA ASP A 68 -0.492 3.482 -9.245 1.00 0.00 C ATOM 985 C ASP A 68 0.148 3.455 -7.860 1.00 0.00 C ATOM 986 O ASP A 68 1.197 2.842 -7.663 1.00 0.00 O ATOM 987 CB ASP A 68 -0.091 4.761 -9.981 1.00 0.00 C ATOM 988 CG ASP A 68 -0.991 5.054 -11.165 1.00 0.00 C ATOM 989 OD1 ASP A 68 -2.106 5.575 -10.948 1.00 0.00 O ATOM 990 OD2 ASP A 68 -0.581 4.765 -12.308 1.00 0.00 O ATOM 0 H ASP A 68 -2.391 4.191 -8.707 1.00 0.00 H new ATOM 0 HA ASP A 68 -0.133 2.621 -9.808 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -0.123 5.601 -9.287 1.00 0.00 H new ATOM 0 HB3 ASP A 68 0.939 4.671 -10.325 1.00 0.00 H new ATOM 995 N TRP A 69 -0.490 4.123 -6.907 1.00 0.00 N ATOM 996 CA TRP A 69 0.017 4.177 -5.541 1.00 0.00 C ATOM 997 C TRP A 69 -1.018 3.650 -4.554 1.00 0.00 C ATOM 998 O TRP A 69 -2.218 3.864 -4.727 1.00 0.00 O ATOM 999 CB TRP A 69 0.406 5.610 -5.175 1.00 0.00 C ATOM 1000 CG TRP A 69 1.787 5.984 -5.621 1.00 0.00 C ATOM 1001 CD1 TRP A 69 2.209 6.176 -6.906 1.00 0.00 C ATOM 1002 CD2 TRP A 69 2.927 6.209 -4.784 1.00 0.00 C ATOM 1003 NE1 TRP A 69 3.543 6.506 -6.918 1.00 0.00 N ATOM 1004 CE2 TRP A 69 4.006 6.534 -5.629 1.00 0.00 C ATOM 1005 CE3 TRP A 69 3.140 6.169 -3.404 1.00 0.00 C ATOM 1006 CZ2 TRP A 69 5.278 6.815 -5.136 1.00 0.00 C ATOM 1007 CZ3 TRP A 69 4.402 6.448 -2.916 1.00 0.00 C ATOM 1008 CH2 TRP A 69 5.458 6.769 -3.780 1.00 0.00 C ATOM 0 H TRP A 69 -1.360 4.635 -7.055 1.00 0.00 H new ATOM 0 HA TRP A 69 0.901 3.542 -5.484 1.00 0.00 H new ATOM 0 HB2 TRP A 69 -0.311 6.299 -5.622 1.00 0.00 H new ATOM 0 HB3 TRP A 69 0.335 5.733 -4.094 1.00 0.00 H new ATOM 0 HD1 TRP A 69 1.586 6.082 -7.783 1.00 0.00 H new ATOM 0 HE1 TRP A 69 4.098 6.699 -7.752 1.00 0.00 H new ATOM 0 HE3 TRP A 69 2.332 5.924 -2.730 1.00 0.00 H new ATOM 0 HZ2 TRP A 69 6.093 7.061 -5.800 1.00 0.00 H new ATOM 0 HZ3 TRP A 69 4.578 6.418 -1.851 1.00 0.00 H new ATOM 0 HH2 TRP A 69 6.433 6.984 -3.368 1.00 0.00 H new ATOM 1019 N TRP A 70 -0.548 2.963 -3.520 1.00 0.00 N ATOM 1020 CA TRP A 70 -1.435 2.406 -2.505 1.00 0.00 C ATOM 1021 C TRP A 70 -1.030 2.873 -1.111 1.00 0.00 C ATOM 1022 O TRP A 70 0.093 3.332 -0.904 1.00 0.00 O ATOM 1023 CB TRP A 70 -1.420 0.878 -2.568 1.00 0.00 C ATOM 1024 CG TRP A 70 -2.099 0.327 -3.786 1.00 0.00 C ATOM 1025 CD1 TRP A 70 -2.996 0.974 -4.587 1.00 0.00 C ATOM 1026 CD2 TRP A 70 -1.938 -0.984 -4.338 1.00 0.00 C ATOM 1027 NE1 TRP A 70 -3.401 0.144 -5.605 1.00 0.00 N ATOM 1028 CE2 TRP A 70 -2.766 -1.063 -5.474 1.00 0.00 C ATOM 1029 CE3 TRP A 70 -1.173 -2.099 -3.984 1.00 0.00 C ATOM 1030 CZ2 TRP A 70 -2.850 -2.212 -6.256 1.00 0.00 C ATOM 1031 CZ3 TRP A 70 -1.257 -3.238 -4.760 1.00 0.00 C ATOM 1032 CH2 TRP A 70 -2.090 -3.288 -5.886 1.00 0.00 C ATOM 0 H TRP A 70 0.443 2.778 -3.362 1.00 0.00 H new ATOM 0 HA TRP A 70 -2.445 2.762 -2.707 1.00 0.00 H new ATOM 0 HB2 TRP A 70 -0.387 0.531 -2.548 1.00 0.00 H new ATOM 0 HB3 TRP A 70 -1.907 0.480 -1.678 1.00 0.00 H new ATOM 0 HD1 TRP A 70 -3.337 1.988 -4.442 1.00 0.00 H new ATOM 0 HE1 TRP A 70 -4.066 0.387 -6.339 1.00 0.00 H new ATOM 0 HE3 TRP A 70 -0.527 -2.070 -3.119 1.00 0.00 H new ATOM 0 HZ2 TRP A 70 -3.492 -2.252 -7.124 1.00 0.00 H new ATOM 0 HZ3 TRP A 70 -0.671 -4.105 -4.495 1.00 0.00 H new ATOM 0 HH2 TRP A 70 -2.133 -4.193 -6.473 1.00 0.00 H new ATOM 1043 N GLN A 71 -1.950 2.753 -0.160 1.00 0.00 N ATOM 1044 CA GLN A 71 -1.686 3.164 1.214 1.00 0.00 C ATOM 1045 C GLN A 71 -1.774 1.975 2.164 1.00 0.00 C ATOM 1046 O GLN A 71 -2.787 1.279 2.213 1.00 0.00 O ATOM 1047 CB GLN A 71 -2.676 4.249 1.643 1.00 0.00 C ATOM 1048 CG GLN A 71 -2.426 4.781 3.044 1.00 0.00 C ATOM 1049 CD GLN A 71 -3.360 5.917 3.412 1.00 0.00 C ATOM 1050 OE1 GLN A 71 -4.453 6.041 2.861 1.00 0.00 O ATOM 1051 NE2 GLN A 71 -2.932 6.755 4.350 1.00 0.00 N ATOM 0 H GLN A 71 -2.884 2.375 -0.315 1.00 0.00 H new ATOM 0 HA GLN A 71 -0.674 3.567 1.258 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -2.625 5.076 0.935 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -3.688 3.847 1.591 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -2.545 3.970 3.763 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -1.394 5.125 3.119 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -2.018 6.615 4.781 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -3.517 7.539 4.639 1.00 0.00 H new ATOM 1060 N GLY A 72 -0.703 1.746 2.919 1.00 0.00 N ATOM 1061 CA GLY A 72 -0.679 0.640 3.858 1.00 0.00 C ATOM 1062 C GLY A 72 -0.183 1.053 5.229 1.00 0.00 C ATOM 1063 O GLY A 72 0.191 2.207 5.438 1.00 0.00 O ATOM 0 H GLY A 72 0.148 2.307 2.897 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -1.682 0.223 3.949 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -0.039 -0.151 3.467 1.00 0.00 H new ATOM 1067 N GLU A 73 -0.180 0.110 6.165 1.00 0.00 N ATOM 1068 CA GLU A 73 0.272 0.384 7.524 1.00 0.00 C ATOM 1069 C GLU A 73 1.359 -0.601 7.945 1.00 0.00 C ATOM 1070 O GLU A 73 1.305 -1.784 7.605 1.00 0.00 O ATOM 1071 CB GLU A 73 -0.903 0.312 8.501 1.00 0.00 C ATOM 1072 CG GLU A 73 -1.600 -1.038 8.517 1.00 0.00 C ATOM 1073 CD GLU A 73 -1.036 -1.973 9.569 1.00 0.00 C ATOM 1074 OE1 GLU A 73 -1.197 -1.680 10.772 1.00 0.00 O ATOM 1075 OE2 GLU A 73 -0.434 -2.999 9.188 1.00 0.00 O ATOM 0 H GLU A 73 -0.485 -0.850 6.008 1.00 0.00 H new ATOM 0 HA GLU A 73 0.690 1.390 7.544 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -0.544 0.538 9.505 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -1.628 1.083 8.241 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -2.664 -0.891 8.700 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -1.506 -1.503 7.535 1.00 0.00 H new ATOM 1082 N ILE A 74 2.344 -0.105 8.686 1.00 0.00 N ATOM 1083 CA ILE A 74 3.442 -0.942 9.154 1.00 0.00 C ATOM 1084 C ILE A 74 3.747 -0.677 10.624 1.00 0.00 C ATOM 1085 O ILE A 74 4.411 0.301 10.965 1.00 0.00 O ATOM 1086 CB ILE A 74 4.720 -0.707 8.326 1.00 0.00 C ATOM 1087 CG1 ILE A 74 4.414 -0.821 6.832 1.00 0.00 C ATOM 1088 CG2 ILE A 74 5.801 -1.699 8.728 1.00 0.00 C ATOM 1089 CD1 ILE A 74 5.584 -0.455 5.946 1.00 0.00 C ATOM 0 H ILE A 74 2.404 0.871 8.975 1.00 0.00 H new ATOM 0 HA ILE A 74 3.124 -1.978 9.032 1.00 0.00 H new ATOM 0 HB ILE A 74 5.085 0.300 8.527 1.00 0.00 H new ATOM 0 HG12 ILE A 74 4.106 -1.843 6.609 1.00 0.00 H new ATOM 0 HG13 ILE A 74 3.570 -0.174 6.592 1.00 0.00 H new ATOM 0 HG21 ILE A 74 6.698 -1.520 8.134 1.00 0.00 H new ATOM 0 HG22 ILE A 74 6.035 -1.574 9.785 1.00 0.00 H new ATOM 0 HG23 ILE A 74 5.446 -2.715 8.553 1.00 0.00 H new ATOM 0 HD11 ILE A 74 5.295 -0.559 4.900 1.00 0.00 H new ATOM 0 HD12 ILE A 74 5.879 0.576 6.140 1.00 0.00 H new ATOM 0 HD13 ILE A 74 6.423 -1.118 6.158 1.00 0.00 H new ATOM 1101 N ASN A 75 3.258 -1.557 11.492 1.00 0.00 N ATOM 1102 CA ASN A 75 3.479 -1.420 12.927 1.00 0.00 C ATOM 1103 C ASN A 75 2.802 -0.163 13.464 1.00 0.00 C ATOM 1104 O ASN A 75 3.423 0.642 14.156 1.00 0.00 O ATOM 1105 CB ASN A 75 4.978 -1.375 13.231 1.00 0.00 C ATOM 1106 CG ASN A 75 5.555 -2.752 13.496 1.00 0.00 C ATOM 1107 OD1 ASN A 75 5.281 -3.364 14.528 1.00 0.00 O ATOM 1108 ND2 ASN A 75 6.360 -3.245 12.562 1.00 0.00 N ATOM 0 H ASN A 75 2.706 -2.373 11.226 1.00 0.00 H new ATOM 0 HA ASN A 75 3.040 -2.287 13.421 1.00 0.00 H new ATOM 0 HB2 ASN A 75 5.503 -0.919 12.391 1.00 0.00 H new ATOM 0 HB3 ASN A 75 5.151 -0.738 14.099 1.00 0.00 H new ATOM 0 HD21 ASN A 75 6.779 -4.167 12.685 1.00 0.00 H new ATOM 0 HD22 ASN A 75 6.559 -2.702 11.722 1.00 0.00 H new ATOM 1115 N GLY A 76 1.522 -0.001 13.139 1.00 0.00 N ATOM 1116 CA GLY A 76 0.782 1.160 13.596 1.00 0.00 C ATOM 1117 C GLY A 76 1.190 2.429 12.877 1.00 0.00 C ATOM 1118 O GLY A 76 0.712 3.517 13.200 1.00 0.00 O ATOM 0 H GLY A 76 0.985 -0.653 12.567 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -0.284 0.989 13.447 1.00 0.00 H new ATOM 0 HA3 GLY A 76 0.938 1.287 14.667 1.00 0.00 H new ATOM 1122 N VAL A 77 2.079 2.293 11.898 1.00 0.00 N ATOM 1123 CA VAL A 77 2.553 3.438 11.130 1.00 0.00 C ATOM 1124 C VAL A 77 1.901 3.485 9.753 1.00 0.00 C ATOM 1125 O VAL A 77 1.575 2.449 9.172 1.00 0.00 O ATOM 1126 CB VAL A 77 4.084 3.405 10.960 1.00 0.00 C ATOM 1127 CG1 VAL A 77 4.463 2.698 9.668 1.00 0.00 C ATOM 1128 CG2 VAL A 77 4.653 4.816 10.993 1.00 0.00 C ATOM 0 H VAL A 77 2.486 1.400 11.618 1.00 0.00 H new ATOM 0 HA VAL A 77 2.276 4.331 11.690 1.00 0.00 H new ATOM 0 HB VAL A 77 4.513 2.845 11.791 1.00 0.00 H new ATOM 0 HG11 VAL A 77 5.548 2.685 9.565 1.00 0.00 H new ATOM 0 HG12 VAL A 77 4.088 1.675 9.690 1.00 0.00 H new ATOM 0 HG13 VAL A 77 4.025 3.227 8.822 1.00 0.00 H new ATOM 0 HG21 VAL A 77 5.735 4.775 10.872 1.00 0.00 H new ATOM 0 HG22 VAL A 77 4.219 5.402 10.183 1.00 0.00 H new ATOM 0 HG23 VAL A 77 4.413 5.283 11.948 1.00 0.00 H new ATOM 1138 N THR A 78 1.712 4.694 9.234 1.00 0.00 N ATOM 1139 CA THR A 78 1.098 4.877 7.925 1.00 0.00 C ATOM 1140 C THR A 78 1.949 5.781 7.040 1.00 0.00 C ATOM 1141 O THR A 78 2.655 6.661 7.531 1.00 0.00 O ATOM 1142 CB THR A 78 -0.315 5.479 8.047 1.00 0.00 C ATOM 1143 OG1 THR A 78 -0.282 6.639 8.887 1.00 0.00 O ATOM 1144 CG2 THR A 78 -1.290 4.461 8.617 1.00 0.00 C ATOM 0 H THR A 78 1.976 5.562 9.701 1.00 0.00 H new ATOM 0 HA THR A 78 1.026 3.890 7.468 1.00 0.00 H new ATOM 0 HB THR A 78 -0.653 5.762 7.050 1.00 0.00 H new ATOM 0 HG1 THR A 78 -1.183 7.017 8.958 1.00 0.00 H new ATOM 0 HG21 THR A 78 -2.281 4.909 8.694 1.00 0.00 H new ATOM 0 HG22 THR A 78 -1.335 3.592 7.960 1.00 0.00 H new ATOM 0 HG23 THR A 78 -0.955 4.151 9.607 1.00 0.00 H new ATOM 1152 N GLY A 79 1.876 5.558 5.731 1.00 0.00 N ATOM 1153 CA GLY A 79 2.645 6.361 4.798 1.00 0.00 C ATOM 1154 C GLY A 79 2.109 6.278 3.383 1.00 0.00 C ATOM 1155 O GLY A 79 0.902 6.145 3.175 1.00 0.00 O ATOM 0 H GLY A 79 1.298 4.836 5.300 1.00 0.00 H new ATOM 0 HA2 GLY A 79 2.637 7.401 5.126 1.00 0.00 H new ATOM 0 HA3 GLY A 79 3.684 6.031 4.810 1.00 0.00 H new ATOM 1159 N LEU A 80 3.006 6.357 2.407 1.00 0.00 N ATOM 1160 CA LEU A 80 2.616 6.292 1.002 1.00 0.00 C ATOM 1161 C LEU A 80 3.652 5.527 0.185 1.00 0.00 C ATOM 1162 O LEU A 80 4.849 5.809 0.260 1.00 0.00 O ATOM 1163 CB LEU A 80 2.441 7.701 0.435 1.00 0.00 C ATOM 1164 CG LEU A 80 1.209 8.469 0.913 1.00 0.00 C ATOM 1165 CD1 LEU A 80 1.276 9.921 0.463 1.00 0.00 C ATOM 1166 CD2 LEU A 80 -0.063 7.809 0.400 1.00 0.00 C ATOM 0 H LEU A 80 4.008 6.466 2.562 1.00 0.00 H new ATOM 0 HA LEU A 80 1.666 5.762 0.938 1.00 0.00 H new ATOM 0 HB2 LEU A 80 3.327 8.284 0.685 1.00 0.00 H new ATOM 0 HB3 LEU A 80 2.402 7.631 -0.652 1.00 0.00 H new ATOM 0 HG LEU A 80 1.192 8.448 2.003 1.00 0.00 H new ATOM 0 HD11 LEU A 80 0.390 10.452 0.813 1.00 0.00 H new ATOM 0 HD12 LEU A 80 2.168 10.390 0.879 1.00 0.00 H new ATOM 0 HD13 LEU A 80 1.318 9.963 -0.625 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -0.930 8.369 0.750 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -0.053 7.799 -0.690 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -0.118 6.786 0.772 1.00 0.00 H new ATOM 1178 N PHE A 81 3.185 4.559 -0.597 1.00 0.00 N ATOM 1179 CA PHE A 81 4.071 3.754 -1.430 1.00 0.00 C ATOM 1180 C PHE A 81 3.364 3.313 -2.708 1.00 0.00 C ATOM 1181 O PHE A 81 2.138 3.215 -2.767 1.00 0.00 O ATOM 1182 CB PHE A 81 4.560 2.529 -0.655 1.00 0.00 C ATOM 1183 CG PHE A 81 3.450 1.734 -0.028 1.00 0.00 C ATOM 1184 CD1 PHE A 81 2.485 1.127 -0.815 1.00 0.00 C ATOM 1185 CD2 PHE A 81 3.372 1.595 1.348 1.00 0.00 C ATOM 1186 CE1 PHE A 81 1.463 0.395 -0.241 1.00 0.00 C ATOM 1187 CE2 PHE A 81 2.353 0.863 1.928 1.00 0.00 C ATOM 1188 CZ PHE A 81 1.396 0.264 1.132 1.00 0.00 C ATOM 0 H PHE A 81 2.198 4.313 -0.671 1.00 0.00 H new ATOM 0 HA PHE A 81 4.929 4.368 -1.704 1.00 0.00 H new ATOM 0 HB2 PHE A 81 5.123 1.883 -1.329 1.00 0.00 H new ATOM 0 HB3 PHE A 81 5.249 2.854 0.125 1.00 0.00 H new ATOM 0 HD1 PHE A 81 2.532 1.227 -1.889 1.00 0.00 H new ATOM 0 HD2 PHE A 81 4.116 2.064 1.975 1.00 0.00 H new ATOM 0 HE1 PHE A 81 0.717 -0.074 -0.866 1.00 0.00 H new ATOM 0 HE2 PHE A 81 2.305 0.760 3.002 1.00 0.00 H new ATOM 0 HZ PHE A 81 0.597 -0.306 1.583 1.00 0.00 H new ATOM 1198 N PRO A 82 4.154 3.042 -3.757 1.00 0.00 N ATOM 1199 CA PRO A 82 3.626 2.607 -5.054 1.00 0.00 C ATOM 1200 C PRO A 82 3.047 1.198 -5.001 1.00 0.00 C ATOM 1201 O PRO A 82 3.515 0.352 -4.239 1.00 0.00 O ATOM 1202 CB PRO A 82 4.854 2.646 -5.967 1.00 0.00 C ATOM 1203 CG PRO A 82 6.015 2.474 -5.050 1.00 0.00 C ATOM 1204 CD PRO A 82 5.623 3.138 -3.758 1.00 0.00 C ATOM 0 HA PRO A 82 2.805 3.239 -5.393 1.00 0.00 H new ATOM 0 HB2 PRO A 82 4.818 1.852 -6.713 1.00 0.00 H new ATOM 0 HB3 PRO A 82 4.914 3.590 -6.509 1.00 0.00 H new ATOM 0 HG2 PRO A 82 6.237 1.418 -4.895 1.00 0.00 H new ATOM 0 HG3 PRO A 82 6.913 2.930 -5.467 1.00 0.00 H new ATOM 0 HD2 PRO A 82 6.059 2.631 -2.897 1.00 0.00 H new ATOM 0 HD3 PRO A 82 5.958 4.175 -3.721 1.00 0.00 H new ATOM 1212 N SER A 83 2.025 0.952 -5.815 1.00 0.00 N ATOM 1213 CA SER A 83 1.380 -0.355 -5.859 1.00 0.00 C ATOM 1214 C SER A 83 2.217 -1.349 -6.659 1.00 0.00 C ATOM 1215 O SER A 83 1.771 -2.456 -6.954 1.00 0.00 O ATOM 1216 CB SER A 83 -0.017 -0.237 -6.472 1.00 0.00 C ATOM 1217 OG SER A 83 0.057 0.058 -7.856 1.00 0.00 O ATOM 0 H SER A 83 1.626 1.641 -6.453 1.00 0.00 H new ATOM 0 HA SER A 83 1.291 -0.723 -4.837 1.00 0.00 H new ATOM 0 HB2 SER A 83 -0.562 -1.169 -6.324 1.00 0.00 H new ATOM 0 HB3 SER A 83 -0.578 0.545 -5.960 1.00 0.00 H new ATOM 0 HG SER A 83 0.562 0.887 -7.987 1.00 0.00 H new ATOM 1223 N ASN A 84 3.434 -0.943 -7.006 1.00 0.00 N ATOM 1224 CA ASN A 84 4.334 -1.796 -7.773 1.00 0.00 C ATOM 1225 C ASN A 84 5.437 -2.361 -6.883 1.00 0.00 C ATOM 1226 O ASN A 84 6.141 -3.296 -7.267 1.00 0.00 O ATOM 1227 CB ASN A 84 4.951 -1.011 -8.932 1.00 0.00 C ATOM 1228 CG ASN A 84 5.100 0.465 -8.616 1.00 0.00 C ATOM 1229 OD1 ASN A 84 6.174 0.922 -8.226 1.00 0.00 O ATOM 1230 ND2 ASN A 84 4.019 1.218 -8.785 1.00 0.00 N ATOM 0 H ASN A 84 3.819 -0.029 -6.768 1.00 0.00 H new ATOM 0 HA ASN A 84 3.753 -2.627 -8.174 1.00 0.00 H new ATOM 0 HB2 ASN A 84 5.929 -1.429 -9.171 1.00 0.00 H new ATOM 0 HB3 ASN A 84 4.329 -1.129 -9.819 1.00 0.00 H new ATOM 0 HD21 ASN A 84 4.059 2.218 -8.589 1.00 0.00 H new ATOM 0 HD22 ASN A 84 3.149 0.796 -9.110 1.00 0.00 H new ATOM 1237 N TYR A 85 5.581 -1.788 -5.694 1.00 0.00 N ATOM 1238 CA TYR A 85 6.600 -2.233 -4.749 1.00 0.00 C ATOM 1239 C TYR A 85 6.022 -3.241 -3.760 1.00 0.00 C ATOM 1240 O TYR A 85 6.673 -3.612 -2.783 1.00 0.00 O ATOM 1241 CB TYR A 85 7.182 -1.037 -3.994 1.00 0.00 C ATOM 1242 CG TYR A 85 8.390 -0.426 -4.668 1.00 0.00 C ATOM 1243 CD1 TYR A 85 8.268 0.258 -5.871 1.00 0.00 C ATOM 1244 CD2 TYR A 85 9.654 -0.532 -4.100 1.00 0.00 C ATOM 1245 CE1 TYR A 85 9.370 0.817 -6.490 1.00 0.00 C ATOM 1246 CE2 TYR A 85 10.761 0.025 -4.711 1.00 0.00 C ATOM 1247 CZ TYR A 85 10.614 0.698 -5.906 1.00 0.00 C ATOM 1248 OH TYR A 85 11.713 1.254 -6.519 1.00 0.00 O ATOM 0 H TYR A 85 5.006 -1.014 -5.361 1.00 0.00 H new ATOM 0 HA TYR A 85 7.395 -2.720 -5.313 1.00 0.00 H new ATOM 0 HB2 TYR A 85 6.411 -0.274 -3.888 1.00 0.00 H new ATOM 0 HB3 TYR A 85 7.458 -1.352 -2.988 1.00 0.00 H new ATOM 0 HD1 TYR A 85 7.295 0.355 -6.330 1.00 0.00 H new ATOM 0 HD2 TYR A 85 9.773 -1.059 -3.165 1.00 0.00 H new ATOM 0 HE1 TYR A 85 9.258 1.344 -7.426 1.00 0.00 H new ATOM 0 HE2 TYR A 85 11.736 -0.066 -4.255 1.00 0.00 H new ATOM 0 HH TYR A 85 12.512 1.082 -5.978 1.00 0.00 H new ATOM 1258 N VAL A 86 4.795 -3.680 -4.022 1.00 0.00 N ATOM 1259 CA VAL A 86 4.129 -4.647 -3.157 1.00 0.00 C ATOM 1260 C VAL A 86 3.432 -5.727 -3.975 1.00 0.00 C ATOM 1261 O VAL A 86 2.941 -5.470 -5.074 1.00 0.00 O ATOM 1262 CB VAL A 86 3.095 -3.962 -2.243 1.00 0.00 C ATOM 1263 CG1 VAL A 86 3.747 -2.849 -1.438 1.00 0.00 C ATOM 1264 CG2 VAL A 86 1.931 -3.427 -3.064 1.00 0.00 C ATOM 0 H VAL A 86 4.242 -3.382 -4.826 1.00 0.00 H new ATOM 0 HA VAL A 86 4.902 -5.106 -2.540 1.00 0.00 H new ATOM 0 HB VAL A 86 2.707 -4.703 -1.544 1.00 0.00 H new ATOM 0 HG11 VAL A 86 3.001 -2.377 -0.799 1.00 0.00 H new ATOM 0 HG12 VAL A 86 4.543 -3.265 -0.821 1.00 0.00 H new ATOM 0 HG13 VAL A 86 4.165 -2.106 -2.117 1.00 0.00 H new ATOM 0 HG21 VAL A 86 1.210 -2.946 -2.403 1.00 0.00 H new ATOM 0 HG22 VAL A 86 2.300 -2.701 -3.788 1.00 0.00 H new ATOM 0 HG23 VAL A 86 1.448 -4.250 -3.590 1.00 0.00 H new ATOM 1274 N LYS A 87 3.391 -6.939 -3.432 1.00 0.00 N ATOM 1275 CA LYS A 87 2.753 -8.061 -4.110 1.00 0.00 C ATOM 1276 C LYS A 87 1.683 -8.694 -3.225 1.00 0.00 C ATOM 1277 O LYS A 87 1.970 -9.145 -2.116 1.00 0.00 O ATOM 1278 CB LYS A 87 3.796 -9.111 -4.497 1.00 0.00 C ATOM 1279 CG LYS A 87 3.271 -10.168 -5.452 1.00 0.00 C ATOM 1280 CD LYS A 87 4.044 -11.470 -5.325 1.00 0.00 C ATOM 1281 CE LYS A 87 5.321 -11.443 -6.151 1.00 0.00 C ATOM 1282 NZ LYS A 87 5.036 -11.459 -7.613 1.00 0.00 N ATOM 0 H LYS A 87 3.793 -7.169 -2.523 1.00 0.00 H new ATOM 0 HA LYS A 87 2.276 -7.683 -5.014 1.00 0.00 H new ATOM 0 HB2 LYS A 87 4.649 -8.611 -4.955 1.00 0.00 H new ATOM 0 HB3 LYS A 87 4.160 -9.599 -3.593 1.00 0.00 H new ATOM 0 HG2 LYS A 87 2.215 -10.350 -5.250 1.00 0.00 H new ATOM 0 HG3 LYS A 87 3.341 -9.801 -6.476 1.00 0.00 H new ATOM 0 HD2 LYS A 87 4.290 -11.647 -4.278 1.00 0.00 H new ATOM 0 HD3 LYS A 87 3.417 -12.300 -5.650 1.00 0.00 H new ATOM 0 HE2 LYS A 87 5.895 -10.551 -5.903 1.00 0.00 H new ATOM 0 HE3 LYS A 87 5.939 -12.302 -5.892 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 5.876 -11.793 -8.127 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 4.237 -12.097 -7.804 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 4.795 -10.498 -7.930 1.00 0.00 H new