USER MOD reduce.3.24.130724 H: found=0, std=0, add=566, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 567 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 37 TYR OH : rot -165:sc= 0.926 USER MOD Set 1.2: A 90 LYS NZ :NH3+ -117:sc= 0.92 (180deg=-1.73!) USER MOD Set 2.1: A 73 THR OG1 : rot 180:sc= 0.0285 USER MOD Set 2.2: A 84 THR OG1 : rot 180:sc= 0 USER MOD Set 3.1: A 46 THR OG1 : rot 180:sc= -0.117 USER MOD Set 3.2: A 82 HIS : no HD1:sc= -1.22 K(o=-1.3,f=0.16) USER MOD Set 4.1: A 39 LYS NZ :NH3+ 137:sc= 1.8 (180deg=1.05) USER MOD Set 4.2: A 88 TYR OH : rot 180:sc= 0.692 USER MOD Single : A 25 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 38 THR OG1 : rot 180:sc= -1.05 USER MOD Single : A 42 THR OG1 : rot -61:sc= 1.31 USER MOD Single : A 44 SER OG : rot 39:sc= 0.843 USER MOD Single : A 45 THR OG1 : rot 180:sc= -0.0304 USER MOD Single : A 49 MET CE :methyl 178:sc= -0.465 (180deg=-0.475) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 60 LYS NZ :NH3+ 160:sc= 0.602 (180deg=-0.738!) USER MOD Single : A 61 LYS NZ :NH3+ -142:sc= 2.5 (180deg=1.97) USER MOD Single : A 65 LYS NZ :NH3+ 177:sc= 1.11 (180deg=1.04) USER MOD Single : A 74 SER OG : rot 14:sc= 0.864 USER MOD Single : A 76 GLN : amide:sc= 0 K(o=0,f=-0.89) USER MOD Single : A 77 THR OG1 : rot 180:sc= -0.0333 USER MOD Single : A 79 ASN : amide:sc= -0.131 K(o=-0.13,f=-2.7!) USER MOD Single : A 80 LYS NZ :NH3+ 163:sc= -0.04 (180deg=-0.404) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 LYS NZ :NH3+ -163:sc= 0.879 (180deg=0.41) USER MOD ----------------------------------------------------------------- ATOM 328 N ALA A 22 4.403 -7.395 5.825 1.00 0.00 N ATOM 329 CA ALA A 22 4.692 -6.323 4.882 1.00 0.00 C ATOM 330 C ALA A 22 4.585 -4.960 5.560 1.00 0.00 C ATOM 331 O ALA A 22 3.601 -4.681 6.250 1.00 0.00 O ATOM 332 CB ALA A 22 3.742 -6.402 3.695 1.00 0.00 C ATOM 0 HA ALA A 22 5.715 -6.444 4.525 1.00 0.00 H new ATOM 0 HB1 ALA A 22 3.966 -5.597 2.996 1.00 0.00 H new ATOM 0 HB2 ALA A 22 3.865 -7.362 3.194 1.00 0.00 H new ATOM 0 HB3 ALA A 22 2.714 -6.304 4.044 1.00 0.00 H new ATOM 338 N GLU A 23 5.584 -4.107 5.362 1.00 0.00 N ATOM 339 CA GLU A 23 5.621 -2.818 6.045 1.00 0.00 C ATOM 340 C GLU A 23 6.546 -1.834 5.333 1.00 0.00 C ATOM 341 O GLU A 23 7.308 -2.207 4.438 1.00 0.00 O ATOM 342 CB GLU A 23 6.091 -3.011 7.494 1.00 0.00 C ATOM 343 CG GLU A 23 5.114 -2.488 8.540 1.00 0.00 C ATOM 344 CD GLU A 23 5.019 -0.976 8.561 1.00 0.00 C ATOM 345 OE1 GLU A 23 4.446 -0.396 7.614 1.00 0.00 O ATOM 346 OE2 GLU A 23 5.506 -0.357 9.533 1.00 0.00 O ATOM 0 H GLU A 23 6.373 -4.282 4.740 1.00 0.00 H new ATOM 0 HA GLU A 23 4.613 -2.404 6.034 1.00 0.00 H new ATOM 0 HB2 GLU A 23 6.262 -4.073 7.671 1.00 0.00 H new ATOM 0 HB3 GLU A 23 7.049 -2.508 7.624 1.00 0.00 H new ATOM 0 HG2 GLU A 23 4.126 -2.906 8.347 1.00 0.00 H new ATOM 0 HG3 GLU A 23 5.422 -2.840 9.524 1.00 0.00 H new ATOM 353 N ILE A 24 6.444 -0.574 5.727 1.00 0.00 N ATOM 354 CA ILE A 24 7.371 0.460 5.291 1.00 0.00 C ATOM 355 C ILE A 24 8.598 0.420 6.201 1.00 0.00 C ATOM 356 O ILE A 24 8.484 0.088 7.381 1.00 0.00 O ATOM 357 CB ILE A 24 6.723 1.867 5.375 1.00 0.00 C ATOM 358 CG1 ILE A 24 5.488 1.955 4.472 1.00 0.00 C ATOM 359 CG2 ILE A 24 7.726 2.961 5.011 1.00 0.00 C ATOM 360 CD1 ILE A 24 5.813 2.045 2.997 1.00 0.00 C ATOM 0 H ILE A 24 5.716 -0.239 6.358 1.00 0.00 H new ATOM 0 HA ILE A 24 7.646 0.274 4.253 1.00 0.00 H new ATOM 0 HB ILE A 24 6.409 2.023 6.407 1.00 0.00 H new ATOM 0 HG12 ILE A 24 4.861 1.080 4.643 1.00 0.00 H new ATOM 0 HG13 ILE A 24 4.902 2.828 4.759 1.00 0.00 H new ATOM 0 HG21 ILE A 24 7.242 3.935 5.079 1.00 0.00 H new ATOM 0 HG22 ILE A 24 8.569 2.926 5.701 1.00 0.00 H new ATOM 0 HG23 ILE A 24 8.083 2.803 3.993 1.00 0.00 H new ATOM 0 HD11 ILE A 24 4.888 2.104 2.424 1.00 0.00 H new ATOM 0 HD12 ILE A 24 6.413 2.936 2.810 1.00 0.00 H new ATOM 0 HD13 ILE A 24 6.372 1.160 2.693 1.00 0.00 H new ATOM 372 N MET A 25 9.766 0.736 5.668 1.00 0.00 N ATOM 373 CA MET A 25 10.976 0.742 6.478 1.00 0.00 C ATOM 374 C MET A 25 11.642 2.109 6.469 1.00 0.00 C ATOM 375 O MET A 25 11.632 2.808 5.455 1.00 0.00 O ATOM 376 CB MET A 25 11.963 -0.320 5.986 1.00 0.00 C ATOM 377 CG MET A 25 11.524 -1.742 6.293 1.00 0.00 C ATOM 378 SD MET A 25 11.373 -2.048 8.065 1.00 0.00 S ATOM 379 CE MET A 25 10.801 -3.748 8.064 1.00 0.00 C ATOM 0 H MET A 25 9.904 0.989 4.690 1.00 0.00 H new ATOM 0 HA MET A 25 10.684 0.509 7.502 1.00 0.00 H new ATOM 0 HB2 MET A 25 12.093 -0.213 4.909 1.00 0.00 H new ATOM 0 HB3 MET A 25 12.936 -0.141 6.444 1.00 0.00 H new ATOM 0 HG2 MET A 25 10.566 -1.936 5.811 1.00 0.00 H new ATOM 0 HG3 MET A 25 12.243 -2.441 5.866 1.00 0.00 H new ATOM 0 HE1 MET A 25 10.660 -4.085 9.091 1.00 0.00 H new ATOM 0 HE2 MET A 25 9.855 -3.813 7.527 1.00 0.00 H new ATOM 0 HE3 MET A 25 11.541 -4.380 7.573 1.00 0.00 H new ATOM 389 N LYS A 26 12.203 2.490 7.610 1.00 0.00 N ATOM 390 CA LYS A 26 12.993 3.703 7.708 1.00 0.00 C ATOM 391 C LYS A 26 14.313 3.502 6.991 1.00 0.00 C ATOM 392 O LYS A 26 14.714 2.373 6.767 1.00 0.00 O ATOM 393 CB LYS A 26 13.239 4.059 9.170 1.00 0.00 C ATOM 394 CG LYS A 26 11.974 4.439 9.914 1.00 0.00 C ATOM 395 CD LYS A 26 12.284 5.178 11.201 1.00 0.00 C ATOM 396 CE LYS A 26 11.008 5.555 11.931 1.00 0.00 C ATOM 397 NZ LYS A 26 11.237 6.617 12.942 1.00 0.00 N ATOM 0 H LYS A 26 12.122 1.970 8.484 1.00 0.00 H new ATOM 0 HA LYS A 26 12.448 4.524 7.241 1.00 0.00 H new ATOM 0 HB2 LYS A 26 13.706 3.210 9.670 1.00 0.00 H new ATOM 0 HB3 LYS A 26 13.946 4.887 9.221 1.00 0.00 H new ATOM 0 HG2 LYS A 26 11.350 5.065 9.276 1.00 0.00 H new ATOM 0 HG3 LYS A 26 11.400 3.540 10.139 1.00 0.00 H new ATOM 0 HD2 LYS A 26 12.904 4.553 11.844 1.00 0.00 H new ATOM 0 HD3 LYS A 26 12.860 6.077 10.979 1.00 0.00 H new ATOM 0 HE2 LYS A 26 10.265 5.896 11.210 1.00 0.00 H new ATOM 0 HE3 LYS A 26 10.596 4.672 12.420 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 10.340 6.844 13.417 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 11.926 6.284 13.646 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 11.606 7.469 12.473 1.00 0.00 H new ATOM 411 N LYS A 27 14.998 4.581 6.660 1.00 0.00 N ATOM 412 CA LYS A 27 16.208 4.488 5.851 1.00 0.00 C ATOM 413 C LYS A 27 17.303 3.710 6.569 1.00 0.00 C ATOM 414 O LYS A 27 18.087 3.005 5.930 1.00 0.00 O ATOM 415 CB LYS A 27 16.725 5.871 5.458 1.00 0.00 C ATOM 416 CG LYS A 27 15.834 6.602 4.466 1.00 0.00 C ATOM 417 CD LYS A 27 14.578 7.141 5.130 1.00 0.00 C ATOM 418 CE LYS A 27 13.718 7.927 4.159 1.00 0.00 C ATOM 419 NZ LYS A 27 12.522 8.490 4.832 1.00 0.00 N ATOM 0 H LYS A 27 14.742 5.529 6.935 1.00 0.00 H new ATOM 0 HA LYS A 27 15.939 3.947 4.944 1.00 0.00 H new ATOM 0 HB2 LYS A 27 16.827 6.479 6.357 1.00 0.00 H new ATOM 0 HB3 LYS A 27 17.722 5.767 5.029 1.00 0.00 H new ATOM 0 HG2 LYS A 27 16.389 7.425 4.016 1.00 0.00 H new ATOM 0 HG3 LYS A 27 15.557 5.925 3.658 1.00 0.00 H new ATOM 0 HD2 LYS A 27 13.999 6.313 5.539 1.00 0.00 H new ATOM 0 HD3 LYS A 27 14.856 7.780 5.968 1.00 0.00 H new ATOM 0 HE2 LYS A 27 14.305 8.734 3.721 1.00 0.00 H new ATOM 0 HE3 LYS A 27 13.406 7.279 3.340 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 11.954 9.022 4.142 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 11.951 7.717 5.229 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 12.822 9.127 5.598 1.00 0.00 H new ATOM 433 N THR A 28 17.358 3.834 7.886 1.00 0.00 N ATOM 434 CA THR A 28 18.352 3.112 8.660 1.00 0.00 C ATOM 435 C THR A 28 18.017 1.620 8.702 1.00 0.00 C ATOM 436 O THR A 28 18.890 0.775 8.509 1.00 0.00 O ATOM 437 CB THR A 28 18.494 3.690 10.092 1.00 0.00 C ATOM 438 OG1 THR A 28 19.527 3.002 10.807 1.00 0.00 O ATOM 439 CG2 THR A 28 17.186 3.603 10.870 1.00 0.00 C ATOM 0 H THR A 28 16.732 4.422 8.436 1.00 0.00 H new ATOM 0 HA THR A 28 19.315 3.237 8.165 1.00 0.00 H new ATOM 0 HB THR A 28 18.758 4.743 9.992 1.00 0.00 H new ATOM 0 HG1 THR A 28 19.607 3.378 11.709 1.00 0.00 H new ATOM 0 HG21 THR A 28 17.328 4.018 11.868 1.00 0.00 H new ATOM 0 HG22 THR A 28 16.414 4.168 10.348 1.00 0.00 H new ATOM 0 HG23 THR A 28 16.880 2.560 10.951 1.00 0.00 H new ATOM 447 N ASP A 29 16.743 1.300 8.906 1.00 0.00 N ATOM 448 CA ASP A 29 16.308 -0.093 8.946 1.00 0.00 C ATOM 449 C ASP A 29 16.328 -0.693 7.553 1.00 0.00 C ATOM 450 O ASP A 29 16.722 -1.839 7.369 1.00 0.00 O ATOM 451 CB ASP A 29 14.901 -0.212 9.540 1.00 0.00 C ATOM 452 CG ASP A 29 14.828 0.267 10.974 1.00 0.00 C ATOM 453 OD1 ASP A 29 15.190 -0.510 11.884 1.00 0.00 O ATOM 454 OD2 ASP A 29 14.409 1.422 11.196 1.00 0.00 O ATOM 0 H ASP A 29 15.997 1.982 9.046 1.00 0.00 H new ATOM 0 HA ASP A 29 17.001 -0.642 9.583 1.00 0.00 H new ATOM 0 HB2 ASP A 29 14.205 0.366 8.933 1.00 0.00 H new ATOM 0 HB3 ASP A 29 14.578 -1.252 9.492 1.00 0.00 H new ATOM 459 N PHE A 30 15.913 0.103 6.577 1.00 0.00 N ATOM 460 CA PHE A 30 15.904 -0.303 5.181 1.00 0.00 C ATOM 461 C PHE A 30 17.301 -0.707 4.736 1.00 0.00 C ATOM 462 O PHE A 30 17.486 -1.761 4.140 1.00 0.00 O ATOM 463 CB PHE A 30 15.383 0.842 4.303 1.00 0.00 C ATOM 464 CG PHE A 30 15.516 0.598 2.829 1.00 0.00 C ATOM 465 CD1 PHE A 30 14.712 -0.330 2.194 1.00 0.00 C ATOM 466 CD2 PHE A 30 16.444 1.304 2.080 1.00 0.00 C ATOM 467 CE1 PHE A 30 14.831 -0.551 0.837 1.00 0.00 C ATOM 468 CE2 PHE A 30 16.567 1.088 0.723 1.00 0.00 C ATOM 469 CZ PHE A 30 15.759 0.160 0.101 1.00 0.00 C ATOM 0 H PHE A 30 15.572 1.052 6.733 1.00 0.00 H new ATOM 0 HA PHE A 30 15.242 -1.162 5.073 1.00 0.00 H new ATOM 0 HB2 PHE A 30 14.333 1.015 4.538 1.00 0.00 H new ATOM 0 HB3 PHE A 30 15.922 1.755 4.559 1.00 0.00 H new ATOM 0 HD1 PHE A 30 13.984 -0.887 2.765 1.00 0.00 H new ATOM 0 HD2 PHE A 30 17.078 2.032 2.564 1.00 0.00 H new ATOM 0 HE1 PHE A 30 14.199 -1.279 0.351 1.00 0.00 H new ATOM 0 HE2 PHE A 30 17.294 1.644 0.150 1.00 0.00 H new ATOM 0 HZ PHE A 30 15.852 -0.011 -0.961 1.00 0.00 H new ATOM 479 N ASP A 31 18.281 0.131 5.044 1.00 0.00 N ATOM 480 CA ASP A 31 19.666 -0.156 4.681 1.00 0.00 C ATOM 481 C ASP A 31 20.168 -1.421 5.376 1.00 0.00 C ATOM 482 O ASP A 31 20.967 -2.173 4.820 1.00 0.00 O ATOM 483 CB ASP A 31 20.558 1.034 5.041 1.00 0.00 C ATOM 484 CG ASP A 31 21.977 0.887 4.531 1.00 0.00 C ATOM 485 OD1 ASP A 31 22.777 0.175 5.168 1.00 0.00 O ATOM 486 OD2 ASP A 31 22.311 1.519 3.505 1.00 0.00 O ATOM 0 H ASP A 31 18.146 1.011 5.542 1.00 0.00 H new ATOM 0 HA ASP A 31 19.708 -0.324 3.605 1.00 0.00 H new ATOM 0 HB2 ASP A 31 20.123 1.945 4.630 1.00 0.00 H new ATOM 0 HB3 ASP A 31 20.578 1.151 6.124 1.00 0.00 H new ATOM 491 N LYS A 32 19.677 -1.657 6.584 1.00 0.00 N ATOM 492 CA LYS A 32 20.056 -2.827 7.364 1.00 0.00 C ATOM 493 C LYS A 32 19.393 -4.085 6.814 1.00 0.00 C ATOM 494 O LYS A 32 20.036 -5.126 6.690 1.00 0.00 O ATOM 495 CB LYS A 32 19.679 -2.622 8.838 1.00 0.00 C ATOM 496 CG LYS A 32 20.812 -2.090 9.709 1.00 0.00 C ATOM 497 CD LYS A 32 21.378 -0.793 9.164 1.00 0.00 C ATOM 498 CE LYS A 32 22.422 -0.200 10.095 1.00 0.00 C ATOM 499 NZ LYS A 32 23.055 1.016 9.515 1.00 0.00 N ATOM 0 H LYS A 32 19.007 -1.045 7.050 1.00 0.00 H new ATOM 0 HA LYS A 32 21.136 -2.955 7.291 1.00 0.00 H new ATOM 0 HB2 LYS A 32 18.839 -1.930 8.893 1.00 0.00 H new ATOM 0 HB3 LYS A 32 19.337 -3.572 9.248 1.00 0.00 H new ATOM 0 HG2 LYS A 32 20.446 -1.930 10.723 1.00 0.00 H new ATOM 0 HG3 LYS A 32 21.605 -2.836 9.770 1.00 0.00 H new ATOM 0 HD2 LYS A 32 21.823 -0.973 8.186 1.00 0.00 H new ATOM 0 HD3 LYS A 32 20.570 -0.076 9.019 1.00 0.00 H new ATOM 0 HE2 LYS A 32 21.957 0.052 11.048 1.00 0.00 H new ATOM 0 HE3 LYS A 32 23.190 -0.946 10.302 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 23.761 1.391 10.180 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 23.520 0.771 8.618 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 22.326 1.737 9.341 1.00 0.00 H new ATOM 513 N VAL A 33 18.119 -3.983 6.459 1.00 0.00 N ATOM 514 CA VAL A 33 17.391 -5.142 5.959 1.00 0.00 C ATOM 515 C VAL A 33 17.722 -5.398 4.492 1.00 0.00 C ATOM 516 O VAL A 33 17.550 -6.512 4.005 1.00 0.00 O ATOM 517 CB VAL A 33 15.859 -5.017 6.135 1.00 0.00 C ATOM 518 CG1 VAL A 33 15.495 -4.834 7.601 1.00 0.00 C ATOM 519 CG2 VAL A 33 15.293 -3.882 5.295 1.00 0.00 C ATOM 0 H VAL A 33 17.574 -3.122 6.507 1.00 0.00 H new ATOM 0 HA VAL A 33 17.718 -5.989 6.562 1.00 0.00 H new ATOM 0 HB VAL A 33 15.411 -5.946 5.783 1.00 0.00 H new ATOM 0 HG11 VAL A 33 14.413 -4.748 7.699 1.00 0.00 H new ATOM 0 HG12 VAL A 33 15.844 -5.694 8.173 1.00 0.00 H new ATOM 0 HG13 VAL A 33 15.967 -3.928 7.983 1.00 0.00 H new ATOM 0 HG21 VAL A 33 14.215 -3.823 5.443 1.00 0.00 H new ATOM 0 HG22 VAL A 33 15.753 -2.941 5.597 1.00 0.00 H new ATOM 0 HG23 VAL A 33 15.505 -4.068 4.242 1.00 0.00 H new ATOM 529 N ALA A 34 18.224 -4.375 3.799 1.00 0.00 N ATOM 530 CA ALA A 34 18.622 -4.526 2.401 1.00 0.00 C ATOM 531 C ALA A 34 19.726 -5.563 2.268 1.00 0.00 C ATOM 532 O ALA A 34 19.940 -6.134 1.199 1.00 0.00 O ATOM 533 CB ALA A 34 19.076 -3.196 1.826 1.00 0.00 C ATOM 0 H ALA A 34 18.364 -3.439 4.181 1.00 0.00 H new ATOM 0 HA ALA A 34 17.755 -4.868 1.836 1.00 0.00 H new ATOM 0 HB1 ALA A 34 19.368 -3.331 0.784 1.00 0.00 H new ATOM 0 HB2 ALA A 34 18.259 -2.477 1.884 1.00 0.00 H new ATOM 0 HB3 ALA A 34 19.927 -2.825 2.396 1.00 0.00 H new ATOM 539 N SER A 35 20.414 -5.806 3.374 1.00 0.00 N ATOM 540 CA SER A 35 21.472 -6.795 3.431 1.00 0.00 C ATOM 541 C SER A 35 20.923 -8.200 3.152 1.00 0.00 C ATOM 542 O SER A 35 21.517 -8.968 2.392 1.00 0.00 O ATOM 543 CB SER A 35 22.155 -6.727 4.805 1.00 0.00 C ATOM 544 OG SER A 35 23.174 -7.703 4.937 1.00 0.00 O ATOM 0 H SER A 35 20.252 -5.321 4.256 1.00 0.00 H new ATOM 0 HA SER A 35 22.210 -6.578 2.659 1.00 0.00 H new ATOM 0 HB2 SER A 35 22.582 -5.735 4.950 1.00 0.00 H new ATOM 0 HB3 SER A 35 21.411 -6.871 5.588 1.00 0.00 H new ATOM 0 HG SER A 35 23.586 -7.628 5.823 1.00 0.00 H new ATOM 550 N GLU A 36 19.770 -8.523 3.736 1.00 0.00 N ATOM 551 CA GLU A 36 19.207 -9.865 3.616 1.00 0.00 C ATOM 552 C GLU A 36 17.797 -9.835 3.022 1.00 0.00 C ATOM 553 O GLU A 36 16.946 -10.665 3.346 1.00 0.00 O ATOM 554 CB GLU A 36 19.205 -10.539 4.988 1.00 0.00 C ATOM 555 CG GLU A 36 20.535 -10.392 5.700 1.00 0.00 C ATOM 556 CD GLU A 36 20.883 -11.578 6.574 1.00 0.00 C ATOM 557 OE1 GLU A 36 21.330 -12.616 6.031 1.00 0.00 O ATOM 558 OE2 GLU A 36 20.735 -11.476 7.810 1.00 0.00 O ATOM 0 H GLU A 36 19.211 -7.877 4.294 1.00 0.00 H new ATOM 0 HA GLU A 36 19.829 -10.441 2.931 1.00 0.00 H new ATOM 0 HB2 GLU A 36 18.416 -10.106 5.603 1.00 0.00 H new ATOM 0 HB3 GLU A 36 18.973 -11.597 4.871 1.00 0.00 H new ATOM 0 HG2 GLU A 36 21.322 -10.253 4.959 1.00 0.00 H new ATOM 0 HG3 GLU A 36 20.513 -9.492 6.314 1.00 0.00 H new ATOM 565 N TYR A 37 17.563 -8.878 2.141 1.00 0.00 N ATOM 566 CA TYR A 37 16.306 -8.795 1.402 1.00 0.00 C ATOM 567 C TYR A 37 16.543 -9.040 -0.087 1.00 0.00 C ATOM 568 O TYR A 37 17.676 -9.274 -0.509 1.00 0.00 O ATOM 569 CB TYR A 37 15.641 -7.435 1.623 1.00 0.00 C ATOM 570 CG TYR A 37 14.527 -7.463 2.648 1.00 0.00 C ATOM 571 CD1 TYR A 37 14.766 -7.817 3.971 1.00 0.00 C ATOM 572 CD2 TYR A 37 13.229 -7.145 2.284 1.00 0.00 C ATOM 573 CE1 TYR A 37 13.741 -7.845 4.900 1.00 0.00 C ATOM 574 CE2 TYR A 37 12.202 -7.170 3.203 1.00 0.00 C ATOM 575 CZ TYR A 37 12.459 -7.522 4.510 1.00 0.00 C ATOM 576 OH TYR A 37 11.428 -7.552 5.419 1.00 0.00 O ATOM 0 H TYR A 37 18.230 -8.140 1.916 1.00 0.00 H new ATOM 0 HA TYR A 37 15.636 -9.569 1.776 1.00 0.00 H new ATOM 0 HB2 TYR A 37 16.398 -6.718 1.941 1.00 0.00 H new ATOM 0 HB3 TYR A 37 15.241 -7.077 0.674 1.00 0.00 H new ATOM 0 HD1 TYR A 37 15.769 -8.074 4.279 1.00 0.00 H new ATOM 0 HD2 TYR A 37 13.018 -6.872 1.261 1.00 0.00 H new ATOM 0 HE1 TYR A 37 13.944 -8.118 5.925 1.00 0.00 H new ATOM 0 HE2 TYR A 37 11.198 -6.914 2.899 1.00 0.00 H new ATOM 0 HH TYR A 37 10.572 -7.538 4.943 1.00 0.00 H new ATOM 586 N THR A 38 15.478 -8.994 -0.876 1.00 0.00 N ATOM 587 CA THR A 38 15.569 -9.279 -2.296 1.00 0.00 C ATOM 588 C THR A 38 14.933 -8.158 -3.114 1.00 0.00 C ATOM 589 O THR A 38 13.944 -7.555 -2.697 1.00 0.00 O ATOM 590 CB THR A 38 14.873 -10.616 -2.630 1.00 0.00 C ATOM 591 OG1 THR A 38 15.342 -11.638 -1.747 1.00 0.00 O ATOM 592 CG2 THR A 38 15.139 -11.031 -4.070 1.00 0.00 C ATOM 0 H THR A 38 14.539 -8.761 -0.552 1.00 0.00 H new ATOM 0 HA THR A 38 16.626 -9.353 -2.553 1.00 0.00 H new ATOM 0 HB THR A 38 13.799 -10.479 -2.504 1.00 0.00 H new ATOM 0 HG1 THR A 38 14.897 -12.485 -1.961 1.00 0.00 H new ATOM 0 HG21 THR A 38 14.636 -11.976 -4.275 1.00 0.00 H new ATOM 0 HG22 THR A 38 14.760 -10.264 -4.746 1.00 0.00 H new ATOM 0 HG23 THR A 38 16.212 -11.151 -4.222 1.00 0.00 H new ATOM 600 N LYS A 39 15.514 -7.883 -4.269 1.00 0.00 N ATOM 601 CA LYS A 39 14.988 -6.884 -5.186 1.00 0.00 C ATOM 602 C LYS A 39 14.094 -7.556 -6.215 1.00 0.00 C ATOM 603 O LYS A 39 14.528 -8.460 -6.924 1.00 0.00 O ATOM 604 CB LYS A 39 16.130 -6.154 -5.893 1.00 0.00 C ATOM 605 CG LYS A 39 15.673 -5.220 -7.004 1.00 0.00 C ATOM 606 CD LYS A 39 15.172 -3.884 -6.476 1.00 0.00 C ATOM 607 CE LYS A 39 16.289 -3.102 -5.804 1.00 0.00 C ATOM 608 NZ LYS A 39 15.905 -1.690 -5.544 1.00 0.00 N ATOM 0 H LYS A 39 16.362 -8.344 -4.598 1.00 0.00 H new ATOM 0 HA LYS A 39 14.407 -6.157 -4.618 1.00 0.00 H new ATOM 0 HB2 LYS A 39 16.691 -5.579 -5.156 1.00 0.00 H new ATOM 0 HB3 LYS A 39 16.815 -6.891 -6.311 1.00 0.00 H new ATOM 0 HG2 LYS A 39 16.501 -5.047 -7.692 1.00 0.00 H new ATOM 0 HG3 LYS A 39 14.879 -5.702 -7.575 1.00 0.00 H new ATOM 0 HD2 LYS A 39 14.758 -3.298 -7.297 1.00 0.00 H new ATOM 0 HD3 LYS A 39 14.364 -4.052 -5.764 1.00 0.00 H new ATOM 0 HE2 LYS A 39 16.553 -3.584 -4.863 1.00 0.00 H new ATOM 0 HE3 LYS A 39 17.178 -3.125 -6.435 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 16.221 -1.414 -4.592 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 16.353 -1.073 -6.251 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 14.871 -1.594 -5.607 1.00 0.00 H new ATOM 622 N ILE A 40 12.851 -7.117 -6.292 1.00 0.00 N ATOM 623 CA ILE A 40 11.900 -7.710 -7.225 1.00 0.00 C ATOM 624 C ILE A 40 11.437 -6.701 -8.268 1.00 0.00 C ATOM 625 O ILE A 40 10.526 -6.969 -9.047 1.00 0.00 O ATOM 626 CB ILE A 40 10.677 -8.290 -6.497 1.00 0.00 C ATOM 627 CG1 ILE A 40 10.108 -7.267 -5.513 1.00 0.00 C ATOM 628 CG2 ILE A 40 11.040 -9.587 -5.783 1.00 0.00 C ATOM 629 CD1 ILE A 40 8.876 -7.747 -4.787 1.00 0.00 C ATOM 0 H ILE A 40 12.474 -6.357 -5.725 1.00 0.00 H new ATOM 0 HA ILE A 40 12.425 -8.522 -7.728 1.00 0.00 H new ATOM 0 HB ILE A 40 9.910 -8.517 -7.237 1.00 0.00 H new ATOM 0 HG12 ILE A 40 10.875 -7.014 -4.781 1.00 0.00 H new ATOM 0 HG13 ILE A 40 9.868 -6.351 -6.053 1.00 0.00 H new ATOM 0 HG21 ILE A 40 10.160 -9.981 -5.274 1.00 0.00 H new ATOM 0 HG22 ILE A 40 11.395 -10.316 -6.511 1.00 0.00 H new ATOM 0 HG23 ILE A 40 11.825 -9.393 -5.052 1.00 0.00 H new ATOM 0 HD11 ILE A 40 8.529 -6.970 -4.107 1.00 0.00 H new ATOM 0 HD12 ILE A 40 8.092 -7.973 -5.510 1.00 0.00 H new ATOM 0 HD13 ILE A 40 9.116 -8.646 -4.219 1.00 0.00 H new ATOM 641 N GLY A 41 12.065 -5.541 -8.272 1.00 0.00 N ATOM 642 CA GLY A 41 11.782 -4.554 -9.289 1.00 0.00 C ATOM 643 C GLY A 41 11.075 -3.339 -8.735 1.00 0.00 C ATOM 644 O GLY A 41 10.673 -3.318 -7.572 1.00 0.00 O ATOM 0 H GLY A 41 12.768 -5.263 -7.588 1.00 0.00 H new ATOM 0 HA2 GLY A 41 12.715 -4.244 -9.760 1.00 0.00 H new ATOM 0 HA3 GLY A 41 11.167 -5.005 -10.067 1.00 0.00 H new ATOM 648 N THR A 42 10.938 -2.325 -9.566 1.00 0.00 N ATOM 649 CA THR A 42 10.259 -1.103 -9.178 1.00 0.00 C ATOM 650 C THR A 42 8.882 -1.042 -9.836 1.00 0.00 C ATOM 651 O THR A 42 8.662 -1.648 -10.887 1.00 0.00 O ATOM 652 CB THR A 42 11.083 0.129 -9.600 1.00 0.00 C ATOM 653 OG1 THR A 42 12.469 -0.086 -9.295 1.00 0.00 O ATOM 654 CG2 THR A 42 10.612 1.388 -8.893 1.00 0.00 C ATOM 0 H THR A 42 11.291 -2.323 -10.523 1.00 0.00 H new ATOM 0 HA THR A 42 10.146 -1.100 -8.094 1.00 0.00 H new ATOM 0 HB THR A 42 10.947 0.265 -10.673 1.00 0.00 H new ATOM 0 HG1 THR A 42 12.575 -0.214 -8.329 1.00 0.00 H new ATOM 0 HG21 THR A 42 11.217 2.235 -9.217 1.00 0.00 H new ATOM 0 HG22 THR A 42 9.567 1.574 -9.139 1.00 0.00 H new ATOM 0 HG23 THR A 42 10.714 1.260 -7.815 1.00 0.00 H new ATOM 662 N ILE A 43 7.965 -0.326 -9.212 1.00 0.00 N ATOM 663 CA ILE A 43 6.637 -0.118 -9.772 1.00 0.00 C ATOM 664 C ILE A 43 6.393 1.373 -9.944 1.00 0.00 C ATOM 665 O ILE A 43 7.115 2.194 -9.373 1.00 0.00 O ATOM 666 CB ILE A 43 5.521 -0.727 -8.888 1.00 0.00 C ATOM 667 CG1 ILE A 43 5.547 -0.112 -7.485 1.00 0.00 C ATOM 668 CG2 ILE A 43 5.661 -2.244 -8.815 1.00 0.00 C ATOM 669 CD1 ILE A 43 4.512 -0.690 -6.544 1.00 0.00 C ATOM 0 H ILE A 43 8.115 0.126 -8.310 1.00 0.00 H new ATOM 0 HA ILE A 43 6.602 -0.626 -10.736 1.00 0.00 H new ATOM 0 HB ILE A 43 4.558 -0.495 -9.344 1.00 0.00 H new ATOM 0 HG12 ILE A 43 6.537 -0.257 -7.054 1.00 0.00 H new ATOM 0 HG13 ILE A 43 5.389 0.963 -7.567 1.00 0.00 H new ATOM 0 HG21 ILE A 43 4.868 -2.653 -8.189 1.00 0.00 H new ATOM 0 HG22 ILE A 43 5.586 -2.665 -9.818 1.00 0.00 H new ATOM 0 HG23 ILE A 43 6.630 -2.500 -8.386 1.00 0.00 H new ATOM 0 HD11 ILE A 43 4.593 -0.204 -5.571 1.00 0.00 H new ATOM 0 HD12 ILE A 43 3.515 -0.522 -6.952 1.00 0.00 H new ATOM 0 HD13 ILE A 43 4.681 -1.761 -6.430 1.00 0.00 H new ATOM 681 N SER A 44 5.385 1.728 -10.719 1.00 0.00 N ATOM 682 CA SER A 44 5.117 3.127 -11.010 1.00 0.00 C ATOM 683 C SER A 44 3.674 3.321 -11.466 1.00 0.00 C ATOM 684 O SER A 44 2.890 2.370 -11.514 1.00 0.00 O ATOM 685 CB SER A 44 6.086 3.618 -12.098 1.00 0.00 C ATOM 686 OG SER A 44 6.009 5.026 -12.279 1.00 0.00 O ATOM 0 H SER A 44 4.740 1.071 -11.158 1.00 0.00 H new ATOM 0 HA SER A 44 5.265 3.709 -10.100 1.00 0.00 H new ATOM 0 HB2 SER A 44 7.105 3.342 -11.828 1.00 0.00 H new ATOM 0 HB3 SER A 44 5.859 3.118 -13.039 1.00 0.00 H new ATOM 0 HG SER A 44 5.898 5.462 -11.408 1.00 0.00 H new ATOM 692 N THR A 45 3.336 4.562 -11.763 1.00 0.00 N ATOM 693 CA THR A 45 2.066 4.907 -12.361 1.00 0.00 C ATOM 694 C THR A 45 2.233 6.199 -13.140 1.00 0.00 C ATOM 695 O THR A 45 3.168 6.967 -12.894 1.00 0.00 O ATOM 696 CB THR A 45 0.937 5.043 -11.313 1.00 0.00 C ATOM 697 OG1 THR A 45 -0.294 5.421 -11.943 1.00 0.00 O ATOM 698 CG2 THR A 45 1.295 6.052 -10.233 1.00 0.00 C ATOM 0 H THR A 45 3.943 5.364 -11.593 1.00 0.00 H new ATOM 0 HA THR A 45 1.768 4.098 -13.028 1.00 0.00 H new ATOM 0 HB THR A 45 0.813 4.069 -10.840 1.00 0.00 H new ATOM 0 HG1 THR A 45 -0.997 5.501 -11.265 1.00 0.00 H new ATOM 0 HG21 THR A 45 0.478 6.121 -9.514 1.00 0.00 H new ATOM 0 HG22 THR A 45 2.202 5.731 -9.721 1.00 0.00 H new ATOM 0 HG23 THR A 45 1.461 7.028 -10.688 1.00 0.00 H new ATOM 706 N THR A 46 1.356 6.424 -14.089 1.00 0.00 N ATOM 707 CA THR A 46 1.479 7.569 -14.978 1.00 0.00 C ATOM 708 C THR A 46 0.126 7.964 -15.554 1.00 0.00 C ATOM 709 O THR A 46 -0.625 7.114 -16.035 1.00 0.00 O ATOM 710 CB THR A 46 2.458 7.274 -16.140 1.00 0.00 C ATOM 711 OG1 THR A 46 3.747 6.924 -15.622 1.00 0.00 O ATOM 712 CG2 THR A 46 2.595 8.478 -17.060 1.00 0.00 C ATOM 0 H THR A 46 0.546 5.832 -14.271 1.00 0.00 H new ATOM 0 HA THR A 46 1.870 8.394 -14.383 1.00 0.00 H new ATOM 0 HB THR A 46 2.054 6.440 -16.714 1.00 0.00 H new ATOM 0 HG1 THR A 46 4.359 6.738 -16.365 1.00 0.00 H new ATOM 0 HG21 THR A 46 3.289 8.242 -17.867 1.00 0.00 H new ATOM 0 HG22 THR A 46 1.621 8.728 -17.480 1.00 0.00 H new ATOM 0 HG23 THR A 46 2.974 9.328 -16.493 1.00 0.00 H new ATOM 720 N GLY A 47 -0.191 9.246 -15.476 1.00 0.00 N ATOM 721 CA GLY A 47 -1.393 9.748 -16.092 1.00 0.00 C ATOM 722 C GLY A 47 -2.059 10.796 -15.248 1.00 0.00 C ATOM 723 O GLY A 47 -1.525 11.889 -15.059 1.00 0.00 O ATOM 0 H GLY A 47 0.368 9.949 -14.993 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -1.152 10.168 -17.069 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -2.086 8.924 -16.261 1.00 0.00 H new ATOM 727 N GLU A 48 -3.213 10.448 -14.723 1.00 0.00 N ATOM 728 CA GLU A 48 -3.999 11.360 -13.916 1.00 0.00 C ATOM 729 C GLU A 48 -4.652 10.617 -12.755 1.00 0.00 C ATOM 730 O GLU A 48 -5.661 9.931 -12.911 1.00 0.00 O ATOM 731 CB GLU A 48 -5.028 12.075 -14.793 1.00 0.00 C ATOM 732 CG GLU A 48 -5.786 11.142 -15.717 1.00 0.00 C ATOM 733 CD GLU A 48 -6.266 11.835 -16.975 1.00 0.00 C ATOM 734 OE1 GLU A 48 -7.336 12.476 -16.946 1.00 0.00 O ATOM 735 OE2 GLU A 48 -5.559 11.753 -18.006 1.00 0.00 O ATOM 0 H GLU A 48 -3.634 9.527 -14.842 1.00 0.00 H new ATOM 0 HA GLU A 48 -3.346 12.119 -13.485 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -5.739 12.597 -14.153 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -4.521 12.833 -15.390 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -5.143 10.305 -15.990 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -6.642 10.726 -15.186 1.00 0.00 H new ATOM 742 N MET A 49 -4.025 10.727 -11.593 1.00 0.00 N ATOM 743 CA MET A 49 -4.476 10.029 -10.396 1.00 0.00 C ATOM 744 C MET A 49 -4.361 10.959 -9.196 1.00 0.00 C ATOM 745 O MET A 49 -3.655 11.966 -9.253 1.00 0.00 O ATOM 746 CB MET A 49 -3.615 8.783 -10.140 1.00 0.00 C ATOM 747 CG MET A 49 -3.565 7.794 -11.297 1.00 0.00 C ATOM 748 SD MET A 49 -5.045 6.774 -11.426 1.00 0.00 S ATOM 749 CE MET A 49 -4.838 5.694 -10.008 1.00 0.00 C ATOM 0 H MET A 49 -3.193 11.300 -11.452 1.00 0.00 H new ATOM 0 HA MET A 49 -5.512 9.724 -10.542 1.00 0.00 H new ATOM 0 HB2 MET A 49 -2.599 9.102 -9.909 1.00 0.00 H new ATOM 0 HB3 MET A 49 -3.997 8.270 -9.258 1.00 0.00 H new ATOM 0 HG2 MET A 49 -3.427 8.342 -12.229 1.00 0.00 H new ATOM 0 HG3 MET A 49 -2.696 7.148 -11.176 1.00 0.00 H new ATOM 0 HE1 MET A 49 -5.696 5.026 -9.931 1.00 0.00 H new ATOM 0 HE2 MET A 49 -3.929 5.105 -10.129 1.00 0.00 H new ATOM 0 HE3 MET A 49 -4.764 6.294 -9.101 1.00 0.00 H new ATOM 759 N SER A 50 -5.049 10.628 -8.120 1.00 0.00 N ATOM 760 CA SER A 50 -4.879 11.339 -6.864 1.00 0.00 C ATOM 761 C SER A 50 -3.774 10.649 -6.071 1.00 0.00 C ATOM 762 O SER A 50 -3.603 9.443 -6.198 1.00 0.00 O ATOM 763 CB SER A 50 -6.191 11.346 -6.087 1.00 0.00 C ATOM 764 OG SER A 50 -7.243 11.884 -6.875 1.00 0.00 O ATOM 0 H SER A 50 -5.732 9.871 -8.089 1.00 0.00 H new ATOM 0 HA SER A 50 -4.599 12.376 -7.047 1.00 0.00 H new ATOM 0 HB2 SER A 50 -6.443 10.331 -5.781 1.00 0.00 H new ATOM 0 HB3 SER A 50 -6.076 11.934 -5.176 1.00 0.00 H new ATOM 0 HG SER A 50 -8.075 11.877 -6.358 1.00 0.00 H new ATOM 770 N PRO A 51 -3.001 11.381 -5.256 1.00 0.00 N ATOM 771 CA PRO A 51 -1.812 10.825 -4.601 1.00 0.00 C ATOM 772 C PRO A 51 -2.115 9.630 -3.689 1.00 0.00 C ATOM 773 O PRO A 51 -1.374 8.648 -3.690 1.00 0.00 O ATOM 774 CB PRO A 51 -1.239 12.004 -3.812 1.00 0.00 C ATOM 775 CG PRO A 51 -2.372 12.963 -3.669 1.00 0.00 C ATOM 776 CD PRO A 51 -3.213 12.794 -4.904 1.00 0.00 C ATOM 0 HA PRO A 51 -1.114 10.417 -5.332 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -0.868 11.684 -2.838 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -0.400 12.460 -4.338 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -2.951 12.752 -2.770 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -2.008 13.987 -3.581 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -4.264 13.008 -4.710 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -2.894 13.462 -5.704 1.00 0.00 H new ATOM 784 N LEU A 52 -3.202 9.696 -2.928 1.00 0.00 N ATOM 785 CA LEU A 52 -3.589 8.577 -2.071 1.00 0.00 C ATOM 786 C LEU A 52 -4.164 7.443 -2.916 1.00 0.00 C ATOM 787 O LEU A 52 -3.911 6.264 -2.659 1.00 0.00 O ATOM 788 CB LEU A 52 -4.609 9.029 -1.024 1.00 0.00 C ATOM 789 CG LEU A 52 -5.063 7.949 -0.046 1.00 0.00 C ATOM 790 CD1 LEU A 52 -3.895 7.476 0.807 1.00 0.00 C ATOM 791 CD2 LEU A 52 -6.192 8.471 0.830 1.00 0.00 C ATOM 0 H LEU A 52 -3.826 10.502 -2.885 1.00 0.00 H new ATOM 0 HA LEU A 52 -2.702 8.214 -1.552 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -4.180 9.854 -0.455 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -5.486 9.420 -1.540 1.00 0.00 H new ATOM 0 HG LEU A 52 -5.435 7.098 -0.616 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -4.238 6.706 1.498 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -3.117 7.065 0.163 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -3.492 8.317 1.371 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -6.506 7.690 1.523 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -5.845 9.337 1.393 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -7.035 8.760 0.203 1.00 0.00 H new ATOM 803 N ASP A 53 -4.909 7.822 -3.946 1.00 0.00 N ATOM 804 CA ASP A 53 -5.514 6.870 -4.878 1.00 0.00 C ATOM 805 C ASP A 53 -4.430 6.103 -5.632 1.00 0.00 C ATOM 806 O ASP A 53 -4.563 4.907 -5.897 1.00 0.00 O ATOM 807 CB ASP A 53 -6.434 7.628 -5.847 1.00 0.00 C ATOM 808 CG ASP A 53 -6.994 6.771 -6.964 1.00 0.00 C ATOM 809 OD1 ASP A 53 -7.577 5.701 -6.679 1.00 0.00 O ATOM 810 OD2 ASP A 53 -6.868 7.177 -8.137 1.00 0.00 O ATOM 0 H ASP A 53 -5.113 8.798 -4.162 1.00 0.00 H new ATOM 0 HA ASP A 53 -6.108 6.143 -4.325 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -7.262 8.059 -5.284 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -5.879 8.459 -6.284 1.00 0.00 H new ATOM 815 N ALA A 54 -3.344 6.796 -5.941 1.00 0.00 N ATOM 816 CA ALA A 54 -2.203 6.185 -6.606 1.00 0.00 C ATOM 817 C ALA A 54 -1.398 5.331 -5.634 1.00 0.00 C ATOM 818 O ALA A 54 -0.803 4.330 -6.029 1.00 0.00 O ATOM 819 CB ALA A 54 -1.316 7.247 -7.230 1.00 0.00 C ATOM 0 H ALA A 54 -3.229 7.789 -5.740 1.00 0.00 H new ATOM 0 HA ALA A 54 -2.583 5.538 -7.397 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -0.469 6.770 -7.722 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -1.889 7.815 -7.963 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -0.953 7.920 -6.453 1.00 0.00 H new ATOM 825 N ARG A 55 -1.379 5.730 -4.361 1.00 0.00 N ATOM 826 CA ARG A 55 -0.707 4.952 -3.334 1.00 0.00 C ATOM 827 C ARG A 55 -1.317 3.564 -3.259 1.00 0.00 C ATOM 828 O ARG A 55 -0.608 2.574 -3.330 1.00 0.00 O ATOM 829 CB ARG A 55 -0.812 5.631 -1.960 1.00 0.00 C ATOM 830 CG ARG A 55 0.236 6.699 -1.692 1.00 0.00 C ATOM 831 CD ARG A 55 0.190 7.144 -0.236 1.00 0.00 C ATOM 832 NE ARG A 55 1.229 8.125 0.085 1.00 0.00 N ATOM 833 CZ ARG A 55 1.870 8.180 1.256 1.00 0.00 C ATOM 834 NH1 ARG A 55 1.605 7.291 2.211 1.00 0.00 N ATOM 835 NH2 ARG A 55 2.784 9.123 1.465 1.00 0.00 N ATOM 0 H ARG A 55 -1.821 6.585 -4.023 1.00 0.00 H new ATOM 0 HA ARG A 55 0.347 4.881 -3.602 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -1.800 6.081 -1.868 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -0.737 4.867 -1.187 1.00 0.00 H new ATOM 0 HG2 ARG A 55 1.227 6.311 -1.928 1.00 0.00 H new ATOM 0 HG3 ARG A 55 0.065 7.555 -2.345 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -0.789 7.573 -0.022 1.00 0.00 H new ATOM 0 HD3 ARG A 55 0.305 6.274 0.410 1.00 0.00 H new ATOM 0 HE ARG A 55 1.479 8.809 -0.630 1.00 0.00 H new ATOM 0 HH11 ARG A 55 0.909 6.563 2.051 1.00 0.00 H new ATOM 0 HH12 ARG A 55 2.098 7.338 3.103 1.00 0.00 H new ATOM 0 HH21 ARG A 55 2.994 9.801 0.733 1.00 0.00 H new ATOM 0 HH22 ARG A 55 3.275 9.168 2.358 1.00 0.00 H new ATOM 849 N GLU A 56 -2.637 3.504 -3.150 1.00 0.00 N ATOM 850 CA GLU A 56 -3.328 2.230 -3.010 1.00 0.00 C ATOM 851 C GLU A 56 -3.211 1.398 -4.284 1.00 0.00 C ATOM 852 O GLU A 56 -3.244 0.168 -4.233 1.00 0.00 O ATOM 853 CB GLU A 56 -4.790 2.458 -2.622 1.00 0.00 C ATOM 854 CG GLU A 56 -4.935 3.171 -1.283 1.00 0.00 C ATOM 855 CD GLU A 56 -6.364 3.216 -0.781 1.00 0.00 C ATOM 856 OE1 GLU A 56 -6.867 2.173 -0.318 1.00 0.00 O ATOM 857 OE2 GLU A 56 -6.987 4.296 -0.827 1.00 0.00 O ATOM 0 H GLU A 56 -3.249 4.320 -3.156 1.00 0.00 H new ATOM 0 HA GLU A 56 -2.850 1.664 -2.210 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -5.281 3.046 -3.398 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -5.304 1.498 -2.576 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -4.312 2.669 -0.542 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -4.558 4.189 -1.379 1.00 0.00 H new ATOM 864 N ASP A 57 -3.039 2.068 -5.419 1.00 0.00 N ATOM 865 CA ASP A 57 -2.767 1.379 -6.680 1.00 0.00 C ATOM 866 C ASP A 57 -1.411 0.696 -6.597 1.00 0.00 C ATOM 867 O ASP A 57 -1.266 -0.482 -6.919 1.00 0.00 O ATOM 868 CB ASP A 57 -2.783 2.367 -7.854 1.00 0.00 C ATOM 869 CG ASP A 57 -2.395 1.729 -9.179 1.00 0.00 C ATOM 870 OD1 ASP A 57 -3.289 1.213 -9.882 1.00 0.00 O ATOM 871 OD2 ASP A 57 -1.196 1.761 -9.536 1.00 0.00 O ATOM 0 H ASP A 57 -3.083 3.084 -5.494 1.00 0.00 H new ATOM 0 HA ASP A 57 -3.545 0.634 -6.850 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -3.780 2.798 -7.944 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -2.099 3.188 -7.639 1.00 0.00 H new ATOM 876 N LEU A 58 -0.426 1.457 -6.140 1.00 0.00 N ATOM 877 CA LEU A 58 0.926 0.958 -5.946 1.00 0.00 C ATOM 878 C LEU A 58 0.960 -0.152 -4.893 1.00 0.00 C ATOM 879 O LEU A 58 1.600 -1.185 -5.085 1.00 0.00 O ATOM 880 CB LEU A 58 1.836 2.118 -5.524 1.00 0.00 C ATOM 881 CG LEU A 58 2.108 3.163 -6.611 1.00 0.00 C ATOM 882 CD1 LEU A 58 3.024 4.259 -6.083 1.00 0.00 C ATOM 883 CD2 LEU A 58 2.713 2.505 -7.843 1.00 0.00 C ATOM 0 H LEU A 58 -0.544 2.440 -5.893 1.00 0.00 H new ATOM 0 HA LEU A 58 1.282 0.534 -6.885 1.00 0.00 H new ATOM 0 HB2 LEU A 58 1.386 2.618 -4.666 1.00 0.00 H new ATOM 0 HB3 LEU A 58 2.789 1.708 -5.190 1.00 0.00 H new ATOM 0 HG LEU A 58 1.160 3.619 -6.896 1.00 0.00 H new ATOM 0 HD11 LEU A 58 3.206 4.992 -6.869 1.00 0.00 H new ATOM 0 HD12 LEU A 58 2.551 4.750 -5.232 1.00 0.00 H new ATOM 0 HD13 LEU A 58 3.972 3.821 -5.769 1.00 0.00 H new ATOM 0 HD21 LEU A 58 2.900 3.262 -8.605 1.00 0.00 H new ATOM 0 HD22 LEU A 58 3.652 2.022 -7.573 1.00 0.00 H new ATOM 0 HD23 LEU A 58 2.021 1.759 -8.234 1.00 0.00 H new ATOM 895 N ILE A 59 0.252 0.072 -3.795 1.00 0.00 N ATOM 896 CA ILE A 59 0.202 -0.873 -2.685 1.00 0.00 C ATOM 897 C ILE A 59 -0.389 -2.212 -3.127 1.00 0.00 C ATOM 898 O ILE A 59 0.181 -3.272 -2.861 1.00 0.00 O ATOM 899 CB ILE A 59 -0.626 -0.297 -1.509 1.00 0.00 C ATOM 900 CG1 ILE A 59 0.075 0.936 -0.927 1.00 0.00 C ATOM 901 CG2 ILE A 59 -0.841 -1.348 -0.424 1.00 0.00 C ATOM 902 CD1 ILE A 59 -0.859 1.874 -0.185 1.00 0.00 C ATOM 0 H ILE A 59 -0.305 0.914 -3.647 1.00 0.00 H new ATOM 0 HA ILE A 59 1.226 -1.039 -2.349 1.00 0.00 H new ATOM 0 HB ILE A 59 -1.604 -0.002 -1.890 1.00 0.00 H new ATOM 0 HG12 ILE A 59 0.862 0.609 -0.248 1.00 0.00 H new ATOM 0 HG13 ILE A 59 0.559 1.484 -1.736 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -1.425 -0.917 0.389 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -1.376 -2.200 -0.843 1.00 0.00 H new ATOM 0 HG23 ILE A 59 0.125 -1.679 -0.042 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -0.293 2.723 0.199 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -1.632 2.231 -0.865 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -1.324 1.343 0.646 1.00 0.00 H new ATOM 914 N LYS A 60 -1.525 -2.156 -3.809 1.00 0.00 N ATOM 915 CA LYS A 60 -2.173 -3.364 -4.305 1.00 0.00 C ATOM 916 C LYS A 60 -1.286 -4.065 -5.327 1.00 0.00 C ATOM 917 O LYS A 60 -1.133 -5.283 -5.293 1.00 0.00 O ATOM 918 CB LYS A 60 -3.532 -3.027 -4.930 1.00 0.00 C ATOM 919 CG LYS A 60 -4.733 -3.679 -4.245 1.00 0.00 C ATOM 920 CD LYS A 60 -4.868 -5.165 -4.569 1.00 0.00 C ATOM 921 CE LYS A 60 -3.843 -6.010 -3.831 1.00 0.00 C ATOM 922 NZ LYS A 60 -3.915 -7.441 -4.213 1.00 0.00 N ATOM 0 H LYS A 60 -2.016 -1.290 -4.031 1.00 0.00 H new ATOM 0 HA LYS A 60 -2.333 -4.036 -3.462 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -3.665 -1.945 -4.913 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -3.520 -3.331 -5.977 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -4.641 -3.555 -3.166 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -5.643 -3.162 -4.549 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -5.871 -5.502 -4.307 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -4.753 -5.313 -5.643 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -2.843 -5.630 -4.041 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -4.002 -5.914 -2.757 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -3.020 -7.911 -3.968 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -4.698 -7.898 -3.703 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -4.077 -7.519 -5.237 1.00 0.00 H new ATOM 936 N LYS A 61 -0.695 -3.285 -6.215 1.00 0.00 N ATOM 937 CA LYS A 61 0.171 -3.808 -7.258 1.00 0.00 C ATOM 938 C LYS A 61 1.406 -4.487 -6.662 1.00 0.00 C ATOM 939 O LYS A 61 1.824 -5.543 -7.126 1.00 0.00 O ATOM 940 CB LYS A 61 0.575 -2.660 -8.170 1.00 0.00 C ATOM 941 CG LYS A 61 0.473 -2.993 -9.640 1.00 0.00 C ATOM 942 CD LYS A 61 0.222 -1.742 -10.469 1.00 0.00 C ATOM 943 CE LYS A 61 1.223 -0.641 -10.161 1.00 0.00 C ATOM 944 NZ LYS A 61 0.867 0.630 -10.846 1.00 0.00 N ATOM 0 H LYS A 61 -0.802 -2.271 -6.234 1.00 0.00 H new ATOM 0 HA LYS A 61 -0.366 -4.564 -7.830 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -0.056 -1.797 -7.956 1.00 0.00 H new ATOM 0 HB3 LYS A 61 1.600 -2.369 -7.942 1.00 0.00 H new ATOM 0 HG2 LYS A 61 1.393 -3.474 -9.972 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -0.335 -3.707 -9.799 1.00 0.00 H new ATOM 0 HD2 LYS A 61 0.275 -1.993 -11.528 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -0.787 -1.377 -10.278 1.00 0.00 H new ATOM 0 HE2 LYS A 61 1.263 -0.476 -9.084 1.00 0.00 H new ATOM 0 HE3 LYS A 61 2.219 -0.956 -10.472 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 1.734 1.102 -11.175 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 0.254 0.425 -11.661 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 0.364 1.253 -10.182 1.00 0.00 H new ATOM 958 N ALA A 62 1.983 -3.877 -5.633 1.00 0.00 N ATOM 959 CA ALA A 62 3.107 -4.476 -4.915 1.00 0.00 C ATOM 960 C ALA A 62 2.715 -5.832 -4.322 1.00 0.00 C ATOM 961 O ALA A 62 3.461 -6.808 -4.425 1.00 0.00 O ATOM 962 CB ALA A 62 3.601 -3.539 -3.822 1.00 0.00 C ATOM 0 H ALA A 62 1.692 -2.967 -5.275 1.00 0.00 H new ATOM 0 HA ALA A 62 3.917 -4.638 -5.626 1.00 0.00 H new ATOM 0 HB1 ALA A 62 4.438 -4.001 -3.298 1.00 0.00 H new ATOM 0 HB2 ALA A 62 3.926 -2.599 -4.268 1.00 0.00 H new ATOM 0 HB3 ALA A 62 2.793 -3.345 -3.116 1.00 0.00 H new ATOM 968 N ASP A 63 1.531 -5.884 -3.717 1.00 0.00 N ATOM 969 CA ASP A 63 0.996 -7.128 -3.158 1.00 0.00 C ATOM 970 C ASP A 63 0.737 -8.147 -4.265 1.00 0.00 C ATOM 971 O ASP A 63 0.879 -9.356 -4.070 1.00 0.00 O ATOM 972 CB ASP A 63 -0.305 -6.845 -2.394 1.00 0.00 C ATOM 973 CG ASP A 63 -1.022 -8.107 -1.947 1.00 0.00 C ATOM 974 OD1 ASP A 63 -0.606 -8.712 -0.937 1.00 0.00 O ATOM 975 OD2 ASP A 63 -2.023 -8.486 -2.597 1.00 0.00 O ATOM 0 H ASP A 63 0.919 -5.076 -3.600 1.00 0.00 H new ATOM 0 HA ASP A 63 1.733 -7.542 -2.470 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -0.080 -6.234 -1.520 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -0.972 -6.261 -3.028 1.00 0.00 H new ATOM 980 N GLU A 64 0.367 -7.637 -5.429 1.00 0.00 N ATOM 981 CA GLU A 64 0.064 -8.464 -6.586 1.00 0.00 C ATOM 982 C GLU A 64 1.335 -8.959 -7.275 1.00 0.00 C ATOM 983 O GLU A 64 1.305 -9.946 -8.014 1.00 0.00 O ATOM 984 CB GLU A 64 -0.814 -7.679 -7.562 1.00 0.00 C ATOM 985 CG GLU A 64 -2.275 -7.667 -7.168 1.00 0.00 C ATOM 986 CD GLU A 64 -3.142 -6.886 -8.130 1.00 0.00 C ATOM 987 OE1 GLU A 64 -3.286 -7.320 -9.291 1.00 0.00 O ATOM 988 OE2 GLU A 64 -3.706 -5.854 -7.721 1.00 0.00 O ATOM 0 H GLU A 64 0.268 -6.636 -5.598 1.00 0.00 H new ATOM 0 HA GLU A 64 -0.478 -9.346 -6.245 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -0.452 -6.653 -7.623 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -0.716 -8.111 -8.558 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -2.638 -8.693 -7.112 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -2.373 -7.239 -6.170 1.00 0.00 H new ATOM 995 N LYS A 65 2.444 -8.270 -7.035 1.00 0.00 N ATOM 996 CA LYS A 65 3.723 -8.667 -7.603 1.00 0.00 C ATOM 997 C LYS A 65 4.478 -9.572 -6.629 1.00 0.00 C ATOM 998 O LYS A 65 5.281 -10.412 -7.038 1.00 0.00 O ATOM 999 CB LYS A 65 4.556 -7.429 -7.947 1.00 0.00 C ATOM 1000 CG LYS A 65 5.598 -7.680 -9.025 1.00 0.00 C ATOM 1001 CD LYS A 65 6.394 -6.427 -9.343 1.00 0.00 C ATOM 1002 CE LYS A 65 7.303 -6.635 -10.546 1.00 0.00 C ATOM 1003 NZ LYS A 65 8.284 -7.733 -10.336 1.00 0.00 N ATOM 0 H LYS A 65 2.482 -7.434 -6.451 1.00 0.00 H new ATOM 0 HA LYS A 65 3.542 -9.227 -8.521 1.00 0.00 H new ATOM 0 HB2 LYS A 65 3.889 -6.632 -8.276 1.00 0.00 H new ATOM 0 HB3 LYS A 65 5.056 -7.075 -7.045 1.00 0.00 H new ATOM 0 HG2 LYS A 65 6.276 -8.468 -8.698 1.00 0.00 H new ATOM 0 HG3 LYS A 65 5.106 -8.037 -9.930 1.00 0.00 H new ATOM 0 HD2 LYS A 65 5.711 -5.601 -9.540 1.00 0.00 H new ATOM 0 HD3 LYS A 65 6.993 -6.146 -8.477 1.00 0.00 H new ATOM 0 HE2 LYS A 65 6.695 -6.858 -11.422 1.00 0.00 H new ATOM 0 HE3 LYS A 65 7.838 -5.709 -10.757 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 8.845 -7.868 -11.202 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 8.917 -7.487 -9.548 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 7.777 -8.613 -10.111 1.00 0.00 H new ATOM 1017 N GLY A 66 4.214 -9.392 -5.337 1.00 0.00 N ATOM 1018 CA GLY A 66 4.794 -10.263 -4.329 1.00 0.00 C ATOM 1019 C GLY A 66 5.904 -9.603 -3.538 1.00 0.00 C ATOM 1020 O GLY A 66 6.993 -10.157 -3.399 1.00 0.00 O ATOM 0 H GLY A 66 3.608 -8.658 -4.970 1.00 0.00 H new ATOM 0 HA2 GLY A 66 4.011 -10.587 -3.643 1.00 0.00 H new ATOM 0 HA3 GLY A 66 5.184 -11.158 -4.813 1.00 0.00 H new ATOM 1024 N ALA A 67 5.628 -8.421 -3.016 1.00 0.00 N ATOM 1025 CA ALA A 67 6.605 -7.691 -2.209 1.00 0.00 C ATOM 1026 C ALA A 67 6.402 -7.946 -0.722 1.00 0.00 C ATOM 1027 O ALA A 67 5.398 -8.520 -0.307 1.00 0.00 O ATOM 1028 CB ALA A 67 6.525 -6.200 -2.499 1.00 0.00 C ATOM 0 H ALA A 67 4.736 -7.941 -3.134 1.00 0.00 H new ATOM 0 HA ALA A 67 7.596 -8.055 -2.481 1.00 0.00 H new ATOM 0 HB1 ALA A 67 7.258 -5.671 -1.890 1.00 0.00 H new ATOM 0 HB2 ALA A 67 6.734 -6.023 -3.554 1.00 0.00 H new ATOM 0 HB3 ALA A 67 5.526 -5.836 -2.261 1.00 0.00 H new ATOM 1034 N ASP A 68 7.374 -7.515 0.065 1.00 0.00 N ATOM 1035 CA ASP A 68 7.340 -7.667 1.512 1.00 0.00 C ATOM 1036 C ASP A 68 7.553 -6.315 2.168 1.00 0.00 C ATOM 1037 O ASP A 68 6.919 -5.974 3.158 1.00 0.00 O ATOM 1038 CB ASP A 68 8.429 -8.646 1.942 1.00 0.00 C ATOM 1039 CG ASP A 68 8.455 -8.898 3.434 1.00 0.00 C ATOM 1040 OD1 ASP A 68 7.771 -9.836 3.894 1.00 0.00 O ATOM 1041 OD2 ASP A 68 9.208 -8.206 4.147 1.00 0.00 O ATOM 0 H ASP A 68 8.212 -7.048 -0.282 1.00 0.00 H new ATOM 0 HA ASP A 68 6.371 -8.058 1.822 1.00 0.00 H new ATOM 0 HB2 ASP A 68 8.281 -9.593 1.423 1.00 0.00 H new ATOM 0 HB3 ASP A 68 9.399 -8.259 1.629 1.00 0.00 H new ATOM 1046 N VAL A 69 8.445 -5.538 1.590 1.00 0.00 N ATOM 1047 CA VAL A 69 8.674 -4.176 2.040 1.00 0.00 C ATOM 1048 C VAL A 69 8.519 -3.228 0.868 1.00 0.00 C ATOM 1049 O VAL A 69 8.977 -3.517 -0.236 1.00 0.00 O ATOM 1050 CB VAL A 69 10.070 -3.997 2.681 1.00 0.00 C ATOM 1051 CG1 VAL A 69 10.413 -2.525 2.877 1.00 0.00 C ATOM 1052 CG2 VAL A 69 10.135 -4.720 4.013 1.00 0.00 C ATOM 0 H VAL A 69 9.027 -5.826 0.804 1.00 0.00 H new ATOM 0 HA VAL A 69 7.935 -3.950 2.809 1.00 0.00 H new ATOM 0 HB VAL A 69 10.802 -4.428 1.998 1.00 0.00 H new ATOM 0 HG11 VAL A 69 11.401 -2.439 3.330 1.00 0.00 H new ATOM 0 HG12 VAL A 69 10.411 -2.019 1.911 1.00 0.00 H new ATOM 0 HG13 VAL A 69 9.673 -2.063 3.530 1.00 0.00 H new ATOM 0 HG21 VAL A 69 11.123 -4.585 4.452 1.00 0.00 H new ATOM 0 HG22 VAL A 69 9.380 -4.312 4.685 1.00 0.00 H new ATOM 0 HG23 VAL A 69 9.948 -5.783 3.860 1.00 0.00 H new ATOM 1062 N VAL A 70 7.861 -2.111 1.097 1.00 0.00 N ATOM 1063 CA VAL A 70 7.629 -1.152 0.036 1.00 0.00 C ATOM 1064 C VAL A 70 8.265 0.185 0.388 1.00 0.00 C ATOM 1065 O VAL A 70 8.286 0.583 1.553 1.00 0.00 O ATOM 1066 CB VAL A 70 6.120 -0.965 -0.240 1.00 0.00 C ATOM 1067 CG1 VAL A 70 5.527 -2.222 -0.852 1.00 0.00 C ATOM 1068 CG2 VAL A 70 5.366 -0.603 1.029 1.00 0.00 C ATOM 0 H VAL A 70 7.478 -1.845 2.004 1.00 0.00 H new ATOM 0 HA VAL A 70 8.090 -1.542 -0.872 1.00 0.00 H new ATOM 0 HB VAL A 70 6.016 -0.142 -0.947 1.00 0.00 H new ATOM 0 HG11 VAL A 70 4.464 -2.069 -1.038 1.00 0.00 H new ATOM 0 HG12 VAL A 70 6.032 -2.442 -1.792 1.00 0.00 H new ATOM 0 HG13 VAL A 70 5.658 -3.058 -0.165 1.00 0.00 H new ATOM 0 HG21 VAL A 70 4.308 -0.478 0.800 1.00 0.00 H new ATOM 0 HG22 VAL A 70 5.487 -1.399 1.764 1.00 0.00 H new ATOM 0 HG23 VAL A 70 5.762 0.328 1.434 1.00 0.00 H new ATOM 1078 N VAL A 71 8.803 0.864 -0.615 1.00 0.00 N ATOM 1079 CA VAL A 71 9.433 2.161 -0.412 1.00 0.00 C ATOM 1080 C VAL A 71 8.843 3.183 -1.372 1.00 0.00 C ATOM 1081 O VAL A 71 8.983 3.059 -2.590 1.00 0.00 O ATOM 1082 CB VAL A 71 10.967 2.095 -0.613 1.00 0.00 C ATOM 1083 CG1 VAL A 71 11.605 3.451 -0.351 1.00 0.00 C ATOM 1084 CG2 VAL A 71 11.585 1.031 0.282 1.00 0.00 C ATOM 0 H VAL A 71 8.816 0.537 -1.581 1.00 0.00 H new ATOM 0 HA VAL A 71 9.238 2.460 0.618 1.00 0.00 H new ATOM 0 HB VAL A 71 11.159 1.822 -1.650 1.00 0.00 H new ATOM 0 HG11 VAL A 71 12.683 3.381 -0.498 1.00 0.00 H new ATOM 0 HG12 VAL A 71 11.192 4.187 -1.041 1.00 0.00 H new ATOM 0 HG13 VAL A 71 11.398 3.758 0.674 1.00 0.00 H new ATOM 0 HG21 VAL A 71 12.663 1.003 0.123 1.00 0.00 H new ATOM 0 HG22 VAL A 71 11.378 1.268 1.326 1.00 0.00 H new ATOM 0 HG23 VAL A 71 11.157 0.058 0.039 1.00 0.00 H new ATOM 1094 N LEU A 72 8.172 4.183 -0.827 1.00 0.00 N ATOM 1095 CA LEU A 72 7.534 5.197 -1.647 1.00 0.00 C ATOM 1096 C LEU A 72 8.487 6.359 -1.897 1.00 0.00 C ATOM 1097 O LEU A 72 8.470 7.356 -1.173 1.00 0.00 O ATOM 1098 CB LEU A 72 6.248 5.700 -0.985 1.00 0.00 C ATOM 1099 CG LEU A 72 5.181 4.635 -0.727 1.00 0.00 C ATOM 1100 CD1 LEU A 72 3.982 5.251 -0.026 1.00 0.00 C ATOM 1101 CD2 LEU A 72 4.755 3.971 -2.030 1.00 0.00 C ATOM 0 H LEU A 72 8.055 4.314 0.178 1.00 0.00 H new ATOM 0 HA LEU A 72 7.275 4.745 -2.605 1.00 0.00 H new ATOM 0 HB2 LEU A 72 6.508 6.167 -0.035 1.00 0.00 H new ATOM 0 HB3 LEU A 72 5.816 6.478 -1.615 1.00 0.00 H new ATOM 0 HG LEU A 72 5.608 3.869 -0.080 1.00 0.00 H new ATOM 0 HD11 LEU A 72 3.230 4.482 0.152 1.00 0.00 H new ATOM 0 HD12 LEU A 72 4.297 5.678 0.926 1.00 0.00 H new ATOM 0 HD13 LEU A 72 3.558 6.036 -0.652 1.00 0.00 H new ATOM 0 HD21 LEU A 72 3.996 3.217 -1.823 1.00 0.00 H new ATOM 0 HD22 LEU A 72 4.345 4.723 -2.705 1.00 0.00 H new ATOM 0 HD23 LEU A 72 5.619 3.497 -2.496 1.00 0.00 H new ATOM 1113 N THR A 73 9.347 6.205 -2.894 1.00 0.00 N ATOM 1114 CA THR A 73 10.242 7.277 -3.294 1.00 0.00 C ATOM 1115 C THR A 73 9.463 8.352 -4.041 1.00 0.00 C ATOM 1116 O THR A 73 9.648 9.547 -3.805 1.00 0.00 O ATOM 1117 CB THR A 73 11.384 6.739 -4.176 1.00 0.00 C ATOM 1118 OG1 THR A 73 10.857 5.811 -5.136 1.00 0.00 O ATOM 1119 CG2 THR A 73 12.453 6.056 -3.331 1.00 0.00 C ATOM 0 H THR A 73 9.442 5.348 -3.439 1.00 0.00 H new ATOM 0 HA THR A 73 10.682 7.712 -2.396 1.00 0.00 H new ATOM 0 HB THR A 73 11.844 7.581 -4.694 1.00 0.00 H new ATOM 0 HG1 THR A 73 11.585 5.472 -5.697 1.00 0.00 H new ATOM 0 HG21 THR A 73 13.247 5.685 -3.979 1.00 0.00 H new ATOM 0 HG22 THR A 73 12.868 6.772 -2.621 1.00 0.00 H new ATOM 0 HG23 THR A 73 12.009 5.222 -2.788 1.00 0.00 H new ATOM 1127 N SER A 74 8.579 7.895 -4.924 1.00 0.00 N ATOM 1128 CA SER A 74 7.644 8.741 -5.663 1.00 0.00 C ATOM 1129 C SER A 74 8.335 9.875 -6.433 1.00 0.00 C ATOM 1130 O SER A 74 9.552 9.869 -6.632 1.00 0.00 O ATOM 1131 CB SER A 74 6.554 9.292 -4.725 1.00 0.00 C ATOM 1132 OG SER A 74 7.093 10.059 -3.658 1.00 0.00 O ATOM 0 H SER A 74 8.490 6.905 -5.151 1.00 0.00 H new ATOM 0 HA SER A 74 7.175 8.106 -6.415 1.00 0.00 H new ATOM 0 HB2 SER A 74 5.863 9.909 -5.299 1.00 0.00 H new ATOM 0 HB3 SER A 74 5.977 8.462 -4.317 1.00 0.00 H new ATOM 0 HG SER A 74 8.032 10.266 -3.846 1.00 0.00 H new ATOM 1138 N GLY A 75 7.530 10.824 -6.890 1.00 0.00 N ATOM 1139 CA GLY A 75 8.017 11.951 -7.631 1.00 0.00 C ATOM 1140 C GLY A 75 7.170 13.158 -7.323 1.00 0.00 C ATOM 1141 O GLY A 75 5.946 13.053 -7.207 1.00 0.00 O ATOM 0 H GLY A 75 6.520 10.823 -6.750 1.00 0.00 H new ATOM 0 HA2 GLY A 75 9.057 12.148 -7.372 1.00 0.00 H new ATOM 0 HA3 GLY A 75 7.989 11.737 -8.699 1.00 0.00 H new ATOM 1145 N GLN A 76 7.816 14.290 -7.175 1.00 0.00 N ATOM 1146 CA GLN A 76 7.154 15.513 -6.754 1.00 0.00 C ATOM 1147 C GLN A 76 6.372 16.135 -7.899 1.00 0.00 C ATOM 1148 O GLN A 76 6.785 17.125 -8.508 1.00 0.00 O ATOM 1149 CB GLN A 76 8.162 16.508 -6.191 1.00 0.00 C ATOM 1150 CG GLN A 76 7.525 17.744 -5.572 1.00 0.00 C ATOM 1151 CD GLN A 76 8.549 18.758 -5.114 1.00 0.00 C ATOM 1152 OE1 GLN A 76 9.641 18.852 -5.672 1.00 0.00 O ATOM 1153 NE2 GLN A 76 8.209 19.526 -4.095 1.00 0.00 N ATOM 0 H GLN A 76 8.817 14.395 -7.342 1.00 0.00 H new ATOM 0 HA GLN A 76 6.448 15.255 -5.965 1.00 0.00 H new ATOM 0 HB2 GLN A 76 8.770 16.008 -5.437 1.00 0.00 H new ATOM 0 HB3 GLN A 76 8.836 16.819 -6.989 1.00 0.00 H new ATOM 0 HG2 GLN A 76 6.859 18.208 -6.300 1.00 0.00 H new ATOM 0 HG3 GLN A 76 6.910 17.445 -4.723 1.00 0.00 H new ATOM 0 HE21 GLN A 76 7.294 19.418 -3.658 1.00 0.00 H new ATOM 0 HE22 GLN A 76 8.862 20.227 -3.745 1.00 0.00 H new ATOM 1162 N THR A 77 5.278 15.491 -8.219 1.00 0.00 N ATOM 1163 CA THR A 77 4.297 16.010 -9.160 1.00 0.00 C ATOM 1164 C THR A 77 2.919 15.479 -8.787 1.00 0.00 C ATOM 1165 O THR A 77 2.524 14.389 -9.203 1.00 0.00 O ATOM 1166 CB THR A 77 4.631 15.623 -10.617 1.00 0.00 C ATOM 1167 OG1 THR A 77 5.983 15.987 -10.915 1.00 0.00 O ATOM 1168 CG2 THR A 77 3.700 16.321 -11.597 1.00 0.00 C ATOM 0 H THR A 77 5.033 14.579 -7.833 1.00 0.00 H new ATOM 0 HA THR A 77 4.313 17.098 -9.101 1.00 0.00 H new ATOM 0 HB THR A 77 4.501 14.546 -10.719 1.00 0.00 H new ATOM 0 HG1 THR A 77 6.192 15.739 -11.840 1.00 0.00 H new ATOM 0 HG21 THR A 77 3.959 16.030 -12.615 1.00 0.00 H new ATOM 0 HG22 THR A 77 2.670 16.033 -11.388 1.00 0.00 H new ATOM 0 HG23 THR A 77 3.804 17.401 -11.491 1.00 0.00 H new ATOM 1176 N GLU A 78 2.219 16.237 -7.956 1.00 0.00 N ATOM 1177 CA GLU A 78 0.921 15.821 -7.434 1.00 0.00 C ATOM 1178 C GLU A 78 -0.219 16.190 -8.376 1.00 0.00 C ATOM 1179 O GLU A 78 -1.305 15.613 -8.296 1.00 0.00 O ATOM 1180 CB GLU A 78 0.695 16.442 -6.060 1.00 0.00 C ATOM 1181 CG GLU A 78 1.643 15.910 -4.999 1.00 0.00 C ATOM 1182 CD GLU A 78 1.545 16.672 -3.698 1.00 0.00 C ATOM 1183 OE1 GLU A 78 0.672 16.342 -2.873 1.00 0.00 O ATOM 1184 OE2 GLU A 78 2.335 17.617 -3.500 1.00 0.00 O ATOM 0 H GLU A 78 2.529 17.151 -7.625 1.00 0.00 H new ATOM 0 HA GLU A 78 0.929 14.734 -7.347 1.00 0.00 H new ATOM 0 HB2 GLU A 78 0.812 17.523 -6.133 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -0.332 16.253 -5.748 1.00 0.00 H new ATOM 0 HG2 GLU A 78 1.425 14.858 -4.817 1.00 0.00 H new ATOM 0 HG3 GLU A 78 2.666 15.964 -5.371 1.00 0.00 H new ATOM 1191 N ASN A 79 0.025 17.164 -9.245 1.00 0.00 N ATOM 1192 CA ASN A 79 -0.938 17.542 -10.271 1.00 0.00 C ATOM 1193 C ASN A 79 -1.336 16.316 -11.083 1.00 0.00 C ATOM 1194 O ASN A 79 -2.484 15.868 -11.046 1.00 0.00 O ATOM 1195 CB ASN A 79 -0.336 18.599 -11.199 1.00 0.00 C ATOM 1196 CG ASN A 79 -0.051 19.923 -10.511 1.00 0.00 C ATOM 1197 OD1 ASN A 79 0.294 19.972 -9.328 1.00 0.00 O ATOM 1198 ND2 ASN A 79 -0.198 21.009 -11.253 1.00 0.00 N ATOM 0 H ASN A 79 0.887 17.709 -9.259 1.00 0.00 H new ATOM 0 HA ASN A 79 -1.821 17.958 -9.786 1.00 0.00 H new ATOM 0 HB2 ASN A 79 0.591 18.213 -11.623 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -1.019 18.771 -12.031 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -0.024 21.930 -10.850 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -0.485 20.925 -12.228 1.00 0.00 H new ATOM 1205 N LYS A 80 -0.372 15.782 -11.815 1.00 0.00 N ATOM 1206 CA LYS A 80 -0.529 14.511 -12.487 1.00 0.00 C ATOM 1207 C LYS A 80 0.689 13.654 -12.166 1.00 0.00 C ATOM 1208 O LYS A 80 1.820 13.956 -12.552 1.00 0.00 O ATOM 1209 CB LYS A 80 -0.705 14.709 -13.988 1.00 0.00 C ATOM 1210 CG LYS A 80 0.484 15.367 -14.633 1.00 0.00 C ATOM 1211 CD LYS A 80 0.125 16.008 -15.960 1.00 0.00 C ATOM 1212 CE LYS A 80 1.353 16.563 -16.658 1.00 0.00 C ATOM 1213 NZ LYS A 80 2.354 15.501 -16.942 1.00 0.00 N ATOM 0 H LYS A 80 0.538 16.220 -11.957 1.00 0.00 H new ATOM 0 HA LYS A 80 -1.428 14.005 -12.136 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -0.879 13.742 -14.459 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -1.592 15.316 -14.168 1.00 0.00 H new ATOM 0 HG2 LYS A 80 0.888 16.124 -13.962 1.00 0.00 H new ATOM 0 HG3 LYS A 80 1.269 14.627 -14.788 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -0.359 15.272 -16.602 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -0.595 16.810 -15.795 1.00 0.00 H new ATOM 0 HE2 LYS A 80 1.056 17.041 -17.591 1.00 0.00 H new ATOM 0 HE3 LYS A 80 1.808 17.334 -16.036 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 3.029 15.842 -17.656 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 2.865 15.263 -16.068 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 1.869 14.654 -17.301 1.00 0.00 H new ATOM 1227 N ILE A 81 0.441 12.600 -11.438 1.00 0.00 N ATOM 1228 CA ILE A 81 1.501 11.846 -10.785 1.00 0.00 C ATOM 1229 C ILE A 81 2.281 10.983 -11.769 1.00 0.00 C ATOM 1230 O ILE A 81 1.736 10.470 -12.750 1.00 0.00 O ATOM 1231 CB ILE A 81 0.954 10.953 -9.651 1.00 0.00 C ATOM 1232 CG1 ILE A 81 -0.293 11.578 -9.023 1.00 0.00 C ATOM 1233 CG2 ILE A 81 2.019 10.741 -8.579 1.00 0.00 C ATOM 1234 CD1 ILE A 81 -0.872 10.755 -7.898 1.00 0.00 C ATOM 0 H ILE A 81 -0.496 12.232 -11.275 1.00 0.00 H new ATOM 0 HA ILE A 81 2.176 12.588 -10.359 1.00 0.00 H new ATOM 0 HB ILE A 81 0.684 9.989 -10.081 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -0.043 12.570 -8.647 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -1.052 11.711 -9.794 1.00 0.00 H new ATOM 0 HG21 ILE A 81 1.617 10.109 -7.787 1.00 0.00 H new ATOM 0 HG22 ILE A 81 2.890 10.258 -9.022 1.00 0.00 H new ATOM 0 HG23 ILE A 81 2.312 11.704 -8.161 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -1.754 11.255 -7.498 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -1.152 9.771 -8.274 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -0.128 10.643 -7.109 1.00 0.00 H new ATOM 1246 N HIS A 82 3.560 10.840 -11.480 1.00 0.00 N ATOM 1247 CA HIS A 82 4.472 10.047 -12.291 1.00 0.00 C ATOM 1248 C HIS A 82 5.463 9.359 -11.356 1.00 0.00 C ATOM 1249 O HIS A 82 6.578 9.006 -11.736 1.00 0.00 O ATOM 1250 CB HIS A 82 5.210 10.952 -13.292 1.00 0.00 C ATOM 1251 CG HIS A 82 6.016 10.212 -14.316 1.00 0.00 C ATOM 1252 ND1 HIS A 82 7.394 10.166 -14.303 1.00 0.00 N ATOM 1253 CD2 HIS A 82 5.631 9.489 -15.391 1.00 0.00 C ATOM 1254 CE1 HIS A 82 7.819 9.449 -15.323 1.00 0.00 C ATOM 1255 NE2 HIS A 82 6.769 9.026 -15.999 1.00 0.00 N ATOM 0 H HIS A 82 4.002 11.274 -10.669 1.00 0.00 H new ATOM 0 HA HIS A 82 3.921 9.298 -12.860 1.00 0.00 H new ATOM 0 HB2 HIS A 82 4.480 11.578 -13.805 1.00 0.00 H new ATOM 0 HB3 HIS A 82 5.871 11.620 -12.740 1.00 0.00 H new ATOM 0 HD2 HIS A 82 4.615 9.309 -15.711 1.00 0.00 H new ATOM 0 HE1 HIS A 82 8.851 9.243 -15.564 1.00 0.00 H new ATOM 0 HE2 HIS A 82 6.799 8.448 -16.839 1.00 0.00 H new ATOM 1264 N GLY A 83 5.022 9.163 -10.120 1.00 0.00 N ATOM 1265 CA GLY A 83 5.893 8.650 -9.087 1.00 0.00 C ATOM 1266 C GLY A 83 6.189 7.171 -9.227 1.00 0.00 C ATOM 1267 O GLY A 83 5.472 6.435 -9.911 1.00 0.00 O ATOM 0 H GLY A 83 4.067 9.353 -9.815 1.00 0.00 H new ATOM 0 HA2 GLY A 83 6.832 9.204 -9.106 1.00 0.00 H new ATOM 0 HA3 GLY A 83 5.436 8.831 -8.114 1.00 0.00 H new ATOM 1271 N THR A 84 7.254 6.740 -8.576 1.00 0.00 N ATOM 1272 CA THR A 84 7.646 5.343 -8.576 1.00 0.00 C ATOM 1273 C THR A 84 7.727 4.825 -7.146 1.00 0.00 C ATOM 1274 O THR A 84 7.902 5.598 -6.205 1.00 0.00 O ATOM 1275 CB THR A 84 9.011 5.140 -9.270 1.00 0.00 C ATOM 1276 OG1 THR A 84 9.973 6.061 -8.745 1.00 0.00 O ATOM 1277 CG2 THR A 84 8.901 5.331 -10.773 1.00 0.00 C ATOM 0 H THR A 84 7.870 7.346 -8.034 1.00 0.00 H new ATOM 0 HA THR A 84 6.891 4.786 -9.131 1.00 0.00 H new ATOM 0 HB THR A 84 9.334 4.118 -9.073 1.00 0.00 H new ATOM 0 HG1 THR A 84 10.835 5.923 -9.190 1.00 0.00 H new ATOM 0 HG21 THR A 84 9.879 5.181 -11.231 1.00 0.00 H new ATOM 0 HG22 THR A 84 8.194 4.608 -11.181 1.00 0.00 H new ATOM 0 HG23 THR A 84 8.551 6.341 -10.987 1.00 0.00 H new ATOM 1285 N ALA A 85 7.572 3.527 -6.981 1.00 0.00 N ATOM 1286 CA ALA A 85 7.745 2.904 -5.683 1.00 0.00 C ATOM 1287 C ALA A 85 8.643 1.696 -5.833 1.00 0.00 C ATOM 1288 O ALA A 85 8.454 0.891 -6.743 1.00 0.00 O ATOM 1289 CB ALA A 85 6.399 2.509 -5.093 1.00 0.00 C ATOM 0 H ALA A 85 7.326 2.881 -7.731 1.00 0.00 H new ATOM 0 HA ALA A 85 8.208 3.614 -4.998 1.00 0.00 H new ATOM 0 HB1 ALA A 85 6.551 2.043 -4.119 1.00 0.00 H new ATOM 0 HB2 ALA A 85 5.778 3.397 -4.977 1.00 0.00 H new ATOM 0 HB3 ALA A 85 5.903 1.803 -5.759 1.00 0.00 H new ATOM 1295 N ASP A 86 9.616 1.566 -4.956 1.00 0.00 N ATOM 1296 CA ASP A 86 10.585 0.492 -5.078 1.00 0.00 C ATOM 1297 C ASP A 86 10.327 -0.532 -3.998 1.00 0.00 C ATOM 1298 O ASP A 86 10.218 -0.190 -2.823 1.00 0.00 O ATOM 1299 CB ASP A 86 12.007 1.035 -4.986 1.00 0.00 C ATOM 1300 CG ASP A 86 13.028 0.073 -5.550 1.00 0.00 C ATOM 1301 OD1 ASP A 86 13.275 0.119 -6.775 1.00 0.00 O ATOM 1302 OD2 ASP A 86 13.597 -0.725 -4.779 1.00 0.00 O ATOM 0 H ASP A 86 9.759 2.183 -4.157 1.00 0.00 H new ATOM 0 HA ASP A 86 10.478 0.018 -6.053 1.00 0.00 H new ATOM 0 HB2 ASP A 86 12.067 1.981 -5.524 1.00 0.00 H new ATOM 0 HB3 ASP A 86 12.246 1.245 -3.944 1.00 0.00 H new ATOM 1307 N ILE A 87 10.187 -1.782 -4.394 1.00 0.00 N ATOM 1308 CA ILE A 87 9.765 -2.808 -3.459 1.00 0.00 C ATOM 1309 C ILE A 87 10.832 -3.875 -3.243 1.00 0.00 C ATOM 1310 O ILE A 87 11.665 -4.142 -4.113 1.00 0.00 O ATOM 1311 CB ILE A 87 8.437 -3.458 -3.909 1.00 0.00 C ATOM 1312 CG1 ILE A 87 8.558 -4.017 -5.329 1.00 0.00 C ATOM 1313 CG2 ILE A 87 7.312 -2.434 -3.835 1.00 0.00 C ATOM 1314 CD1 ILE A 87 7.272 -4.607 -5.871 1.00 0.00 C ATOM 0 H ILE A 87 10.357 -2.110 -5.345 1.00 0.00 H new ATOM 0 HA ILE A 87 9.606 -2.310 -2.502 1.00 0.00 H new ATOM 0 HB ILE A 87 8.209 -4.287 -3.239 1.00 0.00 H new ATOM 0 HG12 ILE A 87 8.889 -3.220 -5.995 1.00 0.00 H new ATOM 0 HG13 ILE A 87 9.332 -4.785 -5.341 1.00 0.00 H new ATOM 0 HG21 ILE A 87 6.378 -2.896 -4.153 1.00 0.00 H new ATOM 0 HG22 ILE A 87 7.210 -2.079 -2.810 1.00 0.00 H new ATOM 0 HG23 ILE A 87 7.542 -1.593 -4.489 1.00 0.00 H new ATOM 0 HD11 ILE A 87 7.441 -4.981 -6.881 1.00 0.00 H new ATOM 0 HD12 ILE A 87 6.949 -5.427 -5.229 1.00 0.00 H new ATOM 0 HD13 ILE A 87 6.500 -3.838 -5.893 1.00 0.00 H new ATOM 1326 N TYR A 88 10.785 -4.480 -2.068 1.00 0.00 N ATOM 1327 CA TYR A 88 11.725 -5.515 -1.683 1.00 0.00 C ATOM 1328 C TYR A 88 10.977 -6.715 -1.135 1.00 0.00 C ATOM 1329 O TYR A 88 9.864 -6.587 -0.629 1.00 0.00 O ATOM 1330 CB TYR A 88 12.714 -4.995 -0.636 1.00 0.00 C ATOM 1331 CG TYR A 88 13.803 -4.119 -1.207 1.00 0.00 C ATOM 1332 CD1 TYR A 88 13.531 -2.830 -1.643 1.00 0.00 C ATOM 1333 CD2 TYR A 88 15.103 -4.593 -1.318 1.00 0.00 C ATOM 1334 CE1 TYR A 88 14.525 -2.036 -2.169 1.00 0.00 C ATOM 1335 CE2 TYR A 88 16.105 -3.802 -1.845 1.00 0.00 C ATOM 1336 CZ TYR A 88 15.811 -2.525 -2.269 1.00 0.00 C ATOM 1337 OH TYR A 88 16.802 -1.733 -2.800 1.00 0.00 O ATOM 0 H TYR A 88 10.090 -4.265 -1.353 1.00 0.00 H new ATOM 0 HA TYR A 88 12.288 -5.812 -2.568 1.00 0.00 H new ATOM 0 HB2 TYR A 88 12.166 -4.431 0.119 1.00 0.00 H new ATOM 0 HB3 TYR A 88 13.172 -5.844 -0.130 1.00 0.00 H new ATOM 0 HD1 TYR A 88 12.525 -2.444 -1.569 1.00 0.00 H new ATOM 0 HD2 TYR A 88 15.334 -5.595 -0.987 1.00 0.00 H new ATOM 0 HE1 TYR A 88 14.299 -1.034 -2.502 1.00 0.00 H new ATOM 0 HE2 TYR A 88 17.113 -4.182 -1.924 1.00 0.00 H new ATOM 0 HH TYR A 88 17.650 -2.225 -2.799 1.00 0.00 H new ATOM 1347 N LYS A 89 11.592 -7.871 -1.251 1.00 0.00 N ATOM 1348 CA LYS A 89 11.005 -9.114 -0.795 1.00 0.00 C ATOM 1349 C LYS A 89 11.878 -9.738 0.294 1.00 0.00 C ATOM 1350 O LYS A 89 13.095 -9.835 0.138 1.00 0.00 O ATOM 1351 CB LYS A 89 10.860 -10.058 -1.991 1.00 0.00 C ATOM 1352 CG LYS A 89 10.347 -11.439 -1.644 1.00 0.00 C ATOM 1353 CD LYS A 89 8.932 -11.388 -1.096 1.00 0.00 C ATOM 1354 CE LYS A 89 8.365 -12.778 -0.888 1.00 0.00 C ATOM 1355 NZ LYS A 89 6.970 -12.733 -0.386 1.00 0.00 N ATOM 0 H LYS A 89 12.518 -7.977 -1.666 1.00 0.00 H new ATOM 0 HA LYS A 89 10.020 -8.928 -0.366 1.00 0.00 H new ATOM 0 HB2 LYS A 89 10.183 -9.605 -2.715 1.00 0.00 H new ATOM 0 HB3 LYS A 89 11.830 -10.157 -2.479 1.00 0.00 H new ATOM 0 HG2 LYS A 89 10.371 -12.071 -2.532 1.00 0.00 H new ATOM 0 HG3 LYS A 89 11.007 -11.898 -0.908 1.00 0.00 H new ATOM 0 HD2 LYS A 89 8.927 -10.847 -0.150 1.00 0.00 H new ATOM 0 HD3 LYS A 89 8.294 -10.833 -1.784 1.00 0.00 H new ATOM 0 HE2 LYS A 89 8.395 -13.328 -1.829 1.00 0.00 H new ATOM 0 HE3 LYS A 89 8.989 -13.323 -0.180 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 6.616 -13.702 -0.256 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 6.945 -12.230 0.524 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 6.370 -12.235 -1.074 1.00 0.00 H new ATOM 1369 N LYS A 90 11.258 -10.128 1.402 1.00 0.00 N ATOM 1370 CA LYS A 90 11.976 -10.746 2.514 1.00 0.00 C ATOM 1371 C LYS A 90 12.452 -12.139 2.127 1.00 0.00 C ATOM 1372 O LYS A 90 11.699 -12.923 1.548 1.00 0.00 O ATOM 1373 CB LYS A 90 11.073 -10.825 3.756 1.00 0.00 C ATOM 1374 CG LYS A 90 11.749 -11.420 4.986 1.00 0.00 C ATOM 1375 CD LYS A 90 10.781 -11.615 6.156 1.00 0.00 C ATOM 1376 CE LYS A 90 10.382 -10.296 6.816 1.00 0.00 C ATOM 1377 NZ LYS A 90 9.109 -9.740 6.276 1.00 0.00 N ATOM 0 H LYS A 90 10.255 -10.027 1.556 1.00 0.00 H new ATOM 0 HA LYS A 90 12.844 -10.130 2.749 1.00 0.00 H new ATOM 0 HB2 LYS A 90 10.720 -9.823 3.999 1.00 0.00 H new ATOM 0 HB3 LYS A 90 10.194 -11.422 3.514 1.00 0.00 H new ATOM 0 HG2 LYS A 90 12.193 -12.380 4.723 1.00 0.00 H new ATOM 0 HG3 LYS A 90 12.564 -10.767 5.299 1.00 0.00 H new ATOM 0 HD2 LYS A 90 9.885 -12.124 5.800 1.00 0.00 H new ATOM 0 HD3 LYS A 90 11.243 -12.264 6.900 1.00 0.00 H new ATOM 0 HE2 LYS A 90 10.279 -10.449 7.890 1.00 0.00 H new ATOM 0 HE3 LYS A 90 11.180 -9.568 6.673 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 9.296 -8.824 5.820 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 8.711 -10.400 5.577 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 8.431 -9.608 7.053 1.00 0.00 H new ATOM 1391 N LYS A 91 13.699 -12.440 2.452 1.00 0.00 N ATOM 1392 CA LYS A 91 14.271 -13.739 2.136 1.00 0.00 C ATOM 1393 C LYS A 91 13.924 -14.759 3.211 1.00 0.00 C ATOM 1394 O LYS A 91 13.117 -14.498 4.103 1.00 0.00 O ATOM 1395 CB LYS A 91 15.791 -13.647 2.002 1.00 0.00 C ATOM 1396 CG LYS A 91 16.263 -12.682 0.931 1.00 0.00 C ATOM 1397 CD LYS A 91 17.780 -12.680 0.810 1.00 0.00 C ATOM 1398 CE LYS A 91 18.278 -13.620 -0.284 1.00 0.00 C ATOM 1399 NZ LYS A 91 17.914 -15.040 -0.030 1.00 0.00 N ATOM 0 H LYS A 91 14.334 -11.803 2.934 1.00 0.00 H new ATOM 0 HA LYS A 91 13.847 -14.061 1.185 1.00 0.00 H new ATOM 0 HB2 LYS A 91 16.211 -13.343 2.960 1.00 0.00 H new ATOM 0 HB3 LYS A 91 16.186 -14.639 1.781 1.00 0.00 H new ATOM 0 HG2 LYS A 91 15.821 -12.956 -0.027 1.00 0.00 H new ATOM 0 HG3 LYS A 91 15.915 -11.676 1.167 1.00 0.00 H new ATOM 0 HD2 LYS A 91 18.124 -11.667 0.599 1.00 0.00 H new ATOM 0 HD3 LYS A 91 18.218 -12.973 1.764 1.00 0.00 H new ATOM 0 HE2 LYS A 91 17.862 -13.308 -1.242 1.00 0.00 H new ATOM 0 HE3 LYS A 91 19.362 -13.536 -0.364 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 18.502 -15.660 -0.622 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 18.074 -15.265 0.973 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 16.911 -15.188 -0.262 1.00 0.00 H new ATOM 1413 N LEU A 92 14.578 -15.906 3.138 1.00 0.00 N ATOM 1414 CA LEU A 92 14.317 -17.006 4.051 1.00 0.00 C ATOM 1415 C LEU A 92 15.518 -17.212 4.960 1.00 0.00 C ATOM 1416 O LEU A 92 15.741 -18.302 5.491 1.00 0.00 O ATOM 1417 CB LEU A 92 13.987 -18.295 3.281 1.00 0.00 C ATOM 1418 CG LEU A 92 15.038 -18.783 2.272 1.00 0.00 C ATOM 1419 CD1 LEU A 92 14.926 -20.288 2.087 1.00 0.00 C ATOM 1420 CD2 LEU A 92 14.865 -18.091 0.924 1.00 0.00 C ATOM 0 H LEU A 92 15.302 -16.101 2.447 1.00 0.00 H new ATOM 0 HA LEU A 92 13.449 -16.757 4.662 1.00 0.00 H new ATOM 0 HB2 LEU A 92 13.816 -19.091 4.006 1.00 0.00 H new ATOM 0 HB3 LEU A 92 13.048 -18.142 2.748 1.00 0.00 H new ATOM 0 HG LEU A 92 16.024 -18.536 2.667 1.00 0.00 H new ATOM 0 HD11 LEU A 92 15.675 -20.623 1.370 1.00 0.00 H new ATOM 0 HD12 LEU A 92 15.090 -20.785 3.043 1.00 0.00 H new ATOM 0 HD13 LEU A 92 13.932 -20.536 1.715 1.00 0.00 H new ATOM 0 HD21 LEU A 92 15.621 -18.455 0.229 1.00 0.00 H new ATOM 0 HD22 LEU A 92 13.873 -18.309 0.528 1.00 0.00 H new ATOM 0 HD23 LEU A 92 14.977 -17.014 1.051 1.00 0.00 H new ATOM 1432 N GLU A 93 16.266 -16.132 5.148 1.00 0.00 N ATOM 1433 CA GLU A 93 17.492 -16.143 5.938 1.00 0.00 C ATOM 1434 C GLU A 93 17.199 -16.364 7.424 1.00 0.00 C ATOM 1435 O GLU A 93 16.110 -16.801 7.802 1.00 0.00 O ATOM 1436 CB GLU A 93 18.233 -14.816 5.755 1.00 0.00 C ATOM 1437 CG GLU A 93 18.350 -14.364 4.307 1.00 0.00 C ATOM 1438 CD GLU A 93 18.852 -15.454 3.384 1.00 0.00 C ATOM 1439 OE1 GLU A 93 20.007 -15.893 3.546 1.00 0.00 O ATOM 1440 OE2 GLU A 93 18.098 -15.858 2.473 1.00 0.00 O ATOM 0 H GLU A 93 16.038 -15.219 4.755 1.00 0.00 H new ATOM 0 HA GLU A 93 18.112 -16.969 5.588 1.00 0.00 H new ATOM 0 HB2 GLU A 93 17.718 -14.043 6.325 1.00 0.00 H new ATOM 0 HB3 GLU A 93 19.234 -14.910 6.177 1.00 0.00 H new ATOM 0 HG2 GLU A 93 17.375 -14.022 3.959 1.00 0.00 H new ATOM 0 HG3 GLU A 93 19.025 -13.510 4.252 1.00 0.00 H new