USER MOD reduce.3.24.130724 H: found=0, std=0, add=566, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 564 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 42 ASN : amide:sc= 0 X(o=0,f=-0.051) USER MOD Set 1.2: A 99 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 86 LYS NZ :NH3+ -167:sc= -0.0242 (180deg=0) USER MOD Set 2.2: A 89 HIS : no HE2:sc= -4.48 K(o=-4.5,f=-8.8!) USER MOD Set 3.1: A 74 ASN : amide:sc= -0.166 K(o=-0.12,f=-7.7!) USER MOD Set 3.2: A 76 THR OG1 : rot 77:sc= 0.0423 USER MOD Single : A 33 HIS : no HD1:sc= -0.368 X(o=-0.37,f=0.009) USER MOD Single : A 44 GLN : amide:sc= -2.12! C(o=-2.1!,f=-7.2!) USER MOD Single : A 51 LYS NZ :NH3+ -124:sc= -0.0121 (180deg=-0.221) USER MOD Single : A 54 THR OG1 : rot 8:sc= 0.918 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 58 LYS NZ :NH3+ -101:sc= -0.175 (180deg=-1.2) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 ASN : amide:sc= -0.487 X(o=-0.49,f=-0.027) USER MOD Single : A 73 ASN : amide:sc= 0 X(o=0,f=-0.12) USER MOD Single : A 77 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 TYR OH : rot 48:sc= 0.0643 USER MOD Single : A 85 CYS SG : rot -107:sc= -0.987 USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 GLN : amide:sc= -0.0479 X(o=-0.048,f=-0.17) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 HIS : no HD1:sc= -0.296 X(o=-0.3,f=0) USER MOD ----------------------------------------------------------------- ATOM 367 N LEU A 29 9.056 -8.788 5.764 1.00 0.00 N ATOM 368 CA LEU A 29 9.298 -7.635 6.624 1.00 0.00 C ATOM 369 C LEU A 29 9.738 -8.077 8.017 1.00 0.00 C ATOM 370 O LEU A 29 9.197 -7.621 9.024 1.00 0.00 O ATOM 371 CB LEU A 29 8.037 -6.772 6.721 1.00 0.00 C ATOM 372 CG LEU A 29 7.364 -6.455 5.385 1.00 0.00 C ATOM 373 CD1 LEU A 29 5.887 -6.159 5.589 1.00 0.00 C ATOM 374 CD2 LEU A 29 8.056 -5.281 4.707 1.00 0.00 C ATOM 0 HA LEU A 29 10.100 -7.044 6.182 1.00 0.00 H new ATOM 0 HB2 LEU A 29 7.316 -7.280 7.362 1.00 0.00 H new ATOM 0 HB3 LEU A 29 8.294 -5.834 7.212 1.00 0.00 H new ATOM 0 HG LEU A 29 7.452 -7.328 4.738 1.00 0.00 H new ATOM 0 HD11 LEU A 29 5.425 -5.936 4.628 1.00 0.00 H new ATOM 0 HD12 LEU A 29 5.400 -7.027 6.033 1.00 0.00 H new ATOM 0 HD13 LEU A 29 5.776 -5.302 6.253 1.00 0.00 H new ATOM 0 HD21 LEU A 29 7.565 -5.068 3.757 1.00 0.00 H new ATOM 0 HD22 LEU A 29 7.998 -4.403 5.351 1.00 0.00 H new ATOM 0 HD23 LEU A 29 9.102 -5.530 4.527 1.00 0.00 H new ATOM 386 N PHE A 30 10.721 -8.969 8.067 1.00 0.00 N ATOM 387 CA PHE A 30 11.234 -9.472 9.336 1.00 0.00 C ATOM 388 C PHE A 30 12.199 -8.474 9.965 1.00 0.00 C ATOM 389 O PHE A 30 12.212 -8.291 11.183 1.00 0.00 O ATOM 390 CB PHE A 30 11.933 -10.817 9.131 1.00 0.00 C ATOM 391 CG PHE A 30 12.449 -11.427 10.404 1.00 0.00 C ATOM 392 CD1 PHE A 30 11.658 -11.459 11.541 1.00 0.00 C ATOM 393 CD2 PHE A 30 13.723 -11.967 10.462 1.00 0.00 C ATOM 394 CE1 PHE A 30 12.129 -12.019 12.713 1.00 0.00 C ATOM 395 CE2 PHE A 30 14.200 -12.528 11.632 1.00 0.00 C ATOM 396 CZ PHE A 30 13.401 -12.553 12.759 1.00 0.00 C ATOM 0 H PHE A 30 11.179 -9.359 7.243 1.00 0.00 H new ATOM 0 HA PHE A 30 10.390 -9.610 10.012 1.00 0.00 H new ATOM 0 HB2 PHE A 30 11.236 -11.511 8.662 1.00 0.00 H new ATOM 0 HB3 PHE A 30 12.764 -10.683 8.439 1.00 0.00 H new ATOM 0 HD1 PHE A 30 10.662 -11.042 11.511 1.00 0.00 H new ATOM 0 HD2 PHE A 30 14.351 -11.950 9.583 1.00 0.00 H new ATOM 0 HE1 PHE A 30 11.502 -12.039 13.592 1.00 0.00 H new ATOM 0 HE2 PHE A 30 15.195 -12.946 11.665 1.00 0.00 H new ATOM 0 HZ PHE A 30 13.771 -12.990 13.675 1.00 0.00 H new ATOM 406 N ASP A 31 13.005 -7.829 9.129 1.00 0.00 N ATOM 407 CA ASP A 31 13.973 -6.847 9.605 1.00 0.00 C ATOM 408 C ASP A 31 13.293 -5.515 9.904 1.00 0.00 C ATOM 409 O ASP A 31 13.716 -4.778 10.794 1.00 0.00 O ATOM 410 CB ASP A 31 15.080 -6.647 8.567 1.00 0.00 C ATOM 411 CG ASP A 31 16.260 -7.572 8.794 1.00 0.00 C ATOM 412 OD1 ASP A 31 16.066 -8.642 9.407 1.00 0.00 O ATOM 413 OD2 ASP A 31 17.378 -7.226 8.357 1.00 0.00 O ATOM 0 H ASP A 31 13.008 -7.968 8.119 1.00 0.00 H new ATOM 0 HA ASP A 31 14.414 -7.225 10.528 1.00 0.00 H new ATOM 0 HB2 ASP A 31 14.674 -6.818 7.570 1.00 0.00 H new ATOM 0 HB3 ASP A 31 15.422 -5.612 8.599 1.00 0.00 H new ATOM 418 N PHE A 32 12.237 -5.215 9.156 1.00 0.00 N ATOM 419 CA PHE A 32 11.497 -3.971 9.341 1.00 0.00 C ATOM 420 C PHE A 32 10.842 -3.929 10.717 1.00 0.00 C ATOM 421 O PHE A 32 10.315 -4.934 11.196 1.00 0.00 O ATOM 422 CB PHE A 32 10.433 -3.819 8.252 1.00 0.00 C ATOM 423 CG PHE A 32 10.995 -3.432 6.914 1.00 0.00 C ATOM 424 CD1 PHE A 32 11.568 -4.385 6.087 1.00 0.00 C ATOM 425 CD2 PHE A 32 10.948 -2.116 6.482 1.00 0.00 C ATOM 426 CE1 PHE A 32 12.086 -4.032 4.855 1.00 0.00 C ATOM 427 CE2 PHE A 32 11.464 -1.757 5.251 1.00 0.00 C ATOM 428 CZ PHE A 32 12.033 -2.717 4.436 1.00 0.00 C ATOM 0 H PHE A 32 11.874 -5.816 8.416 1.00 0.00 H new ATOM 0 HA PHE A 32 12.202 -3.143 9.268 1.00 0.00 H new ATOM 0 HB2 PHE A 32 9.891 -4.759 8.151 1.00 0.00 H new ATOM 0 HB3 PHE A 32 9.710 -3.066 8.565 1.00 0.00 H new ATOM 0 HD1 PHE A 32 11.610 -5.415 6.409 1.00 0.00 H new ATOM 0 HD2 PHE A 32 10.503 -1.362 7.115 1.00 0.00 H new ATOM 0 HE1 PHE A 32 12.532 -4.784 4.221 1.00 0.00 H new ATOM 0 HE2 PHE A 32 11.423 -0.728 4.927 1.00 0.00 H new ATOM 0 HZ PHE A 32 12.436 -2.439 3.473 1.00 0.00 H new ATOM 438 N HIS A 33 10.877 -2.760 11.348 1.00 0.00 N ATOM 439 CA HIS A 33 10.286 -2.586 12.670 1.00 0.00 C ATOM 440 C HIS A 33 9.198 -1.517 12.643 1.00 0.00 C ATOM 441 O HIS A 33 9.120 -0.722 11.707 1.00 0.00 O ATOM 442 CB HIS A 33 11.364 -2.210 13.688 1.00 0.00 C ATOM 443 CG HIS A 33 12.230 -3.360 14.097 1.00 0.00 C ATOM 444 ND1 HIS A 33 11.968 -4.172 15.179 1.00 0.00 N ATOM 445 CD2 HIS A 33 13.375 -3.833 13.542 1.00 0.00 C ATOM 446 CE1 HIS A 33 12.941 -5.091 15.247 1.00 0.00 C ATOM 447 NE2 HIS A 33 13.819 -4.929 14.277 1.00 0.00 N ATOM 0 H HIS A 33 11.308 -1.919 10.965 1.00 0.00 H new ATOM 0 HA HIS A 33 9.832 -3.532 12.966 1.00 0.00 H new ATOM 0 HB2 HIS A 33 11.992 -1.425 13.266 1.00 0.00 H new ATOM 0 HB3 HIS A 33 10.885 -1.793 14.574 1.00 0.00 H new ATOM 0 HD2 HIS A 33 13.863 -3.424 12.670 1.00 0.00 H new ATOM 0 HE1 HIS A 33 12.998 -5.864 15.999 1.00 0.00 H new ATOM 0 HE2 HIS A 33 14.652 -5.491 14.101 1.00 0.00 H new ATOM 455 N ILE A 34 8.361 -1.506 13.675 1.00 0.00 N ATOM 456 CA ILE A 34 7.278 -0.535 13.769 1.00 0.00 C ATOM 457 C ILE A 34 7.785 0.808 14.283 1.00 0.00 C ATOM 458 O ILE A 34 8.404 0.884 15.344 1.00 0.00 O ATOM 459 CB ILE A 34 6.153 -1.035 14.696 1.00 0.00 C ATOM 460 CG1 ILE A 34 5.763 -2.468 14.334 1.00 0.00 C ATOM 461 CG2 ILE A 34 4.947 -0.112 14.610 1.00 0.00 C ATOM 462 CD1 ILE A 34 5.281 -2.621 12.907 1.00 0.00 C ATOM 0 H ILE A 34 8.412 -2.158 14.457 1.00 0.00 H new ATOM 0 HA ILE A 34 6.880 -0.409 12.762 1.00 0.00 H new ATOM 0 HB ILE A 34 6.518 -1.028 15.723 1.00 0.00 H new ATOM 0 HG12 ILE A 34 6.622 -3.120 14.491 1.00 0.00 H new ATOM 0 HG13 ILE A 34 4.979 -2.805 15.012 1.00 0.00 H new ATOM 0 HG21 ILE A 34 4.161 -0.478 15.270 1.00 0.00 H new ATOM 0 HG22 ILE A 34 5.236 0.894 14.914 1.00 0.00 H new ATOM 0 HG23 ILE A 34 4.578 -0.090 13.584 1.00 0.00 H new ATOM 0 HD11 ILE A 34 5.022 -3.663 12.720 1.00 0.00 H new ATOM 0 HD12 ILE A 34 4.403 -1.995 12.751 1.00 0.00 H new ATOM 0 HD13 ILE A 34 6.071 -2.315 12.221 1.00 0.00 H new ATOM 474 N GLY A 35 7.520 1.866 13.522 1.00 0.00 N ATOM 475 CA GLY A 35 7.957 3.191 13.918 1.00 0.00 C ATOM 476 C GLY A 35 9.261 3.593 13.256 1.00 0.00 C ATOM 477 O GLY A 35 10.128 4.191 13.892 1.00 0.00 O ATOM 0 H GLY A 35 7.011 1.828 12.639 1.00 0.00 H new ATOM 0 HA2 GLY A 35 7.185 3.916 13.663 1.00 0.00 H new ATOM 0 HA3 GLY A 35 8.078 3.222 15.001 1.00 0.00 H new ATOM 481 N ASP A 36 9.399 3.262 11.977 1.00 0.00 N ATOM 482 CA ASP A 36 10.607 3.591 11.228 1.00 0.00 C ATOM 483 C ASP A 36 10.258 4.114 9.839 1.00 0.00 C ATOM 484 O ASP A 36 9.190 3.820 9.304 1.00 0.00 O ATOM 485 CB ASP A 36 11.511 2.362 11.111 1.00 0.00 C ATOM 486 CG ASP A 36 12.441 2.213 12.298 1.00 0.00 C ATOM 487 OD1 ASP A 36 13.332 3.073 12.466 1.00 0.00 O ATOM 488 OD2 ASP A 36 12.281 1.236 13.060 1.00 0.00 O ATOM 0 H ASP A 36 8.690 2.766 11.437 1.00 0.00 H new ATOM 0 HA ASP A 36 11.139 4.374 11.769 1.00 0.00 H new ATOM 0 HB2 ASP A 36 10.894 1.468 11.022 1.00 0.00 H new ATOM 0 HB3 ASP A 36 12.101 2.434 10.197 1.00 0.00 H new ATOM 493 N ARG A 37 11.168 4.891 9.259 1.00 0.00 N ATOM 494 CA ARG A 37 10.955 5.456 7.932 1.00 0.00 C ATOM 495 C ARG A 37 10.989 4.366 6.866 1.00 0.00 C ATOM 496 O ARG A 37 11.911 3.550 6.826 1.00 0.00 O ATOM 497 CB ARG A 37 12.018 6.515 7.629 1.00 0.00 C ATOM 498 CG ARG A 37 11.629 7.913 8.078 1.00 0.00 C ATOM 499 CD ARG A 37 12.163 8.971 7.127 1.00 0.00 C ATOM 500 NE ARG A 37 11.802 10.322 7.551 1.00 0.00 N ATOM 501 CZ ARG A 37 11.833 11.384 6.749 1.00 0.00 C ATOM 502 NH1 ARG A 37 12.204 11.256 5.481 1.00 0.00 N ATOM 503 NH2 ARG A 37 11.491 12.577 7.215 1.00 0.00 N ATOM 0 H ARG A 37 12.059 5.143 9.687 1.00 0.00 H new ATOM 0 HA ARG A 37 9.971 5.924 7.917 1.00 0.00 H new ATOM 0 HB2 ARG A 37 12.950 6.232 8.117 1.00 0.00 H new ATOM 0 HB3 ARG A 37 12.211 6.527 6.556 1.00 0.00 H new ATOM 0 HG2 ARG A 37 10.543 7.989 8.136 1.00 0.00 H new ATOM 0 HG3 ARG A 37 12.015 8.095 9.081 1.00 0.00 H new ATOM 0 HD2 ARG A 37 13.248 8.888 7.065 1.00 0.00 H new ATOM 0 HD3 ARG A 37 11.772 8.789 6.126 1.00 0.00 H new ATOM 0 HE ARG A 37 11.509 10.459 8.518 1.00 0.00 H new ATOM 0 HH11 ARG A 37 12.467 10.340 5.117 1.00 0.00 H new ATOM 0 HH12 ARG A 37 12.226 12.073 4.871 1.00 0.00 H new ATOM 0 HH21 ARG A 37 11.204 12.681 8.188 1.00 0.00 H new ATOM 0 HH22 ARG A 37 11.515 13.391 6.600 1.00 0.00 H new ATOM 517 N VAL A 38 9.979 4.358 6.001 1.00 0.00 N ATOM 518 CA VAL A 38 9.894 3.368 4.935 1.00 0.00 C ATOM 519 C VAL A 38 9.343 3.986 3.654 1.00 0.00 C ATOM 520 O VAL A 38 8.417 4.797 3.693 1.00 0.00 O ATOM 521 CB VAL A 38 9.005 2.178 5.340 1.00 0.00 C ATOM 522 CG1 VAL A 38 9.682 1.350 6.421 1.00 0.00 C ATOM 523 CG2 VAL A 38 7.642 2.665 5.807 1.00 0.00 C ATOM 0 H VAL A 38 9.209 5.026 6.018 1.00 0.00 H new ATOM 0 HA VAL A 38 10.908 3.009 4.757 1.00 0.00 H new ATOM 0 HB VAL A 38 8.859 1.543 4.466 1.00 0.00 H new ATOM 0 HG11 VAL A 38 9.039 0.513 6.695 1.00 0.00 H new ATOM 0 HG12 VAL A 38 10.632 0.970 6.046 1.00 0.00 H new ATOM 0 HG13 VAL A 38 9.860 1.972 7.298 1.00 0.00 H new ATOM 0 HG21 VAL A 38 7.027 1.810 6.089 1.00 0.00 H new ATOM 0 HG22 VAL A 38 7.766 3.323 6.667 1.00 0.00 H new ATOM 0 HG23 VAL A 38 7.155 3.212 5.000 1.00 0.00 H new ATOM 533 N LEU A 39 9.915 3.596 2.521 1.00 0.00 N ATOM 534 CA LEU A 39 9.481 4.110 1.228 1.00 0.00 C ATOM 535 C LEU A 39 8.669 3.062 0.473 1.00 0.00 C ATOM 536 O LEU A 39 9.174 1.987 0.146 1.00 0.00 O ATOM 537 CB LEU A 39 10.692 4.534 0.392 1.00 0.00 C ATOM 538 CG LEU A 39 10.425 5.654 -0.615 1.00 0.00 C ATOM 539 CD1 LEU A 39 9.799 6.857 0.075 1.00 0.00 C ATOM 540 CD2 LEU A 39 11.713 6.053 -1.320 1.00 0.00 C ATOM 0 H LEU A 39 10.681 2.925 2.472 1.00 0.00 H new ATOM 0 HA LEU A 39 8.847 4.979 1.403 1.00 0.00 H new ATOM 0 HB2 LEU A 39 11.486 4.855 1.067 1.00 0.00 H new ATOM 0 HB3 LEU A 39 11.065 3.663 -0.147 1.00 0.00 H new ATOM 0 HG LEU A 39 9.723 5.285 -1.362 1.00 0.00 H new ATOM 0 HD11 LEU A 39 9.617 7.643 -0.658 1.00 0.00 H new ATOM 0 HD12 LEU A 39 8.855 6.563 0.534 1.00 0.00 H new ATOM 0 HD13 LEU A 39 10.476 7.228 0.844 1.00 0.00 H new ATOM 0 HD21 LEU A 39 11.505 6.851 -2.033 1.00 0.00 H new ATOM 0 HD22 LEU A 39 12.437 6.403 -0.584 1.00 0.00 H new ATOM 0 HD23 LEU A 39 12.121 5.191 -1.848 1.00 0.00 H new ATOM 552 N ILE A 40 7.407 3.380 0.202 1.00 0.00 N ATOM 553 CA ILE A 40 6.525 2.464 -0.511 1.00 0.00 C ATOM 554 C ILE A 40 6.759 2.534 -2.016 1.00 0.00 C ATOM 555 O ILE A 40 6.513 3.563 -2.646 1.00 0.00 O ATOM 556 CB ILE A 40 5.044 2.767 -0.219 1.00 0.00 C ATOM 557 CG1 ILE A 40 4.816 2.902 1.288 1.00 0.00 C ATOM 558 CG2 ILE A 40 4.155 1.677 -0.800 1.00 0.00 C ATOM 559 CD1 ILE A 40 3.502 3.562 1.644 1.00 0.00 C ATOM 0 H ILE A 40 6.973 4.265 0.465 1.00 0.00 H new ATOM 0 HA ILE A 40 6.759 1.461 -0.156 1.00 0.00 H new ATOM 0 HB ILE A 40 4.782 3.713 -0.693 1.00 0.00 H new ATOM 0 HG12 ILE A 40 4.851 1.912 1.743 1.00 0.00 H new ATOM 0 HG13 ILE A 40 5.633 3.480 1.720 1.00 0.00 H new ATOM 0 HG21 ILE A 40 3.111 1.906 -0.585 1.00 0.00 H new ATOM 0 HG22 ILE A 40 4.300 1.625 -1.879 1.00 0.00 H new ATOM 0 HG23 ILE A 40 4.416 0.718 -0.353 1.00 0.00 H new ATOM 0 HD11 ILE A 40 3.408 3.624 2.728 1.00 0.00 H new ATOM 0 HD12 ILE A 40 3.472 4.565 1.219 1.00 0.00 H new ATOM 0 HD13 ILE A 40 2.678 2.973 1.242 1.00 0.00 H new ATOM 571 N GLY A 41 7.235 1.432 -2.588 1.00 0.00 N ATOM 572 CA GLY A 41 7.493 1.387 -4.016 1.00 0.00 C ATOM 573 C GLY A 41 8.466 2.459 -4.469 1.00 0.00 C ATOM 574 O GLY A 41 8.498 2.817 -5.646 1.00 0.00 O ATOM 0 H GLY A 41 7.447 0.569 -2.088 1.00 0.00 H new ATOM 0 HA2 GLY A 41 7.891 0.407 -4.279 1.00 0.00 H new ATOM 0 HA3 GLY A 41 6.553 1.504 -4.555 1.00 0.00 H new ATOM 578 N ASN A 42 9.261 2.973 -3.535 1.00 0.00 N ATOM 579 CA ASN A 42 10.238 4.010 -3.847 1.00 0.00 C ATOM 580 C ASN A 42 9.564 5.223 -4.485 1.00 0.00 C ATOM 581 O ASN A 42 9.874 5.597 -5.616 1.00 0.00 O ATOM 582 CB ASN A 42 11.316 3.457 -4.782 1.00 0.00 C ATOM 583 CG ASN A 42 12.509 2.907 -4.027 1.00 0.00 C ATOM 584 OD1 ASN A 42 12.428 1.851 -3.398 1.00 0.00 O ATOM 585 ND2 ASN A 42 13.628 3.620 -4.085 1.00 0.00 N ATOM 0 H ASN A 42 9.247 2.688 -2.556 1.00 0.00 H new ATOM 0 HA ASN A 42 10.704 4.328 -2.914 1.00 0.00 H new ATOM 0 HB2 ASN A 42 10.887 2.669 -5.401 1.00 0.00 H new ATOM 0 HB3 ASN A 42 11.649 4.247 -5.456 1.00 0.00 H new ATOM 0 HD21 ASN A 42 14.464 3.298 -3.597 1.00 0.00 H new ATOM 0 HD22 ASN A 42 13.652 4.489 -4.618 1.00 0.00 H new ATOM 592 N VAL A 43 8.638 5.832 -3.751 1.00 0.00 N ATOM 593 CA VAL A 43 7.920 7.001 -4.246 1.00 0.00 C ATOM 594 C VAL A 43 7.032 7.601 -3.159 1.00 0.00 C ATOM 595 O VAL A 43 6.937 8.821 -3.026 1.00 0.00 O ATOM 596 CB VAL A 43 7.055 6.651 -5.473 1.00 0.00 C ATOM 597 CG1 VAL A 43 6.005 5.611 -5.112 1.00 0.00 C ATOM 598 CG2 VAL A 43 6.404 7.902 -6.045 1.00 0.00 C ATOM 0 H VAL A 43 8.368 5.536 -2.813 1.00 0.00 H new ATOM 0 HA VAL A 43 8.671 7.734 -4.541 1.00 0.00 H new ATOM 0 HB VAL A 43 7.704 6.225 -6.239 1.00 0.00 H new ATOM 0 HG11 VAL A 43 5.406 5.378 -5.992 1.00 0.00 H new ATOM 0 HG12 VAL A 43 6.497 4.705 -4.758 1.00 0.00 H new ATOM 0 HG13 VAL A 43 5.359 6.003 -4.327 1.00 0.00 H new ATOM 0 HG21 VAL A 43 5.798 7.634 -6.910 1.00 0.00 H new ATOM 0 HG22 VAL A 43 5.770 8.362 -5.287 1.00 0.00 H new ATOM 0 HG23 VAL A 43 7.177 8.608 -6.349 1.00 0.00 H new ATOM 608 N GLN A 44 6.381 6.737 -2.388 1.00 0.00 N ATOM 609 CA GLN A 44 5.499 7.184 -1.316 1.00 0.00 C ATOM 610 C GLN A 44 6.192 7.075 0.042 1.00 0.00 C ATOM 611 O GLN A 44 6.262 5.994 0.626 1.00 0.00 O ATOM 612 CB GLN A 44 4.213 6.356 -1.310 1.00 0.00 C ATOM 613 CG GLN A 44 3.090 6.974 -2.128 1.00 0.00 C ATOM 614 CD GLN A 44 1.720 6.695 -1.541 1.00 0.00 C ATOM 615 OE1 GLN A 44 1.587 5.944 -0.574 1.00 0.00 O ATOM 616 NE2 GLN A 44 0.692 7.299 -2.125 1.00 0.00 N ATOM 0 H GLN A 44 6.447 5.724 -2.485 1.00 0.00 H new ATOM 0 HA GLN A 44 5.252 8.230 -1.495 1.00 0.00 H new ATOM 0 HB2 GLN A 44 4.429 5.361 -1.698 1.00 0.00 H new ATOM 0 HB3 GLN A 44 3.876 6.231 -0.281 1.00 0.00 H new ATOM 0 HG2 GLN A 44 3.242 8.052 -2.191 1.00 0.00 H new ATOM 0 HG3 GLN A 44 3.131 6.586 -3.146 1.00 0.00 H new ATOM 0 HE21 GLN A 44 0.848 7.913 -2.924 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -0.254 7.149 -1.775 1.00 0.00 H new ATOM 625 N PRO A 45 6.714 8.199 0.567 1.00 0.00 N ATOM 626 CA PRO A 45 7.400 8.217 1.863 1.00 0.00 C ATOM 627 C PRO A 45 6.429 8.112 3.033 1.00 0.00 C ATOM 628 O PRO A 45 5.415 8.809 3.076 1.00 0.00 O ATOM 629 CB PRO A 45 8.098 9.577 1.869 1.00 0.00 C ATOM 630 CG PRO A 45 7.246 10.440 1.005 1.00 0.00 C ATOM 631 CD PRO A 45 6.679 9.537 -0.057 1.00 0.00 C ATOM 0 HA PRO A 45 8.078 7.372 1.980 1.00 0.00 H new ATOM 0 HB2 PRO A 45 8.174 9.979 2.879 1.00 0.00 H new ATOM 0 HB3 PRO A 45 9.113 9.504 1.478 1.00 0.00 H new ATOM 0 HG2 PRO A 45 6.450 10.907 1.585 1.00 0.00 H new ATOM 0 HG3 PRO A 45 7.831 11.245 0.560 1.00 0.00 H new ATOM 0 HD2 PRO A 45 5.664 9.826 -0.328 1.00 0.00 H new ATOM 0 HD3 PRO A 45 7.274 9.569 -0.970 1.00 0.00 H new ATOM 639 N GLY A 46 6.744 7.236 3.981 1.00 0.00 N ATOM 640 CA GLY A 46 5.887 7.056 5.139 1.00 0.00 C ATOM 641 C GLY A 46 6.572 6.292 6.255 1.00 0.00 C ATOM 642 O GLY A 46 7.776 6.042 6.197 1.00 0.00 O ATOM 0 H GLY A 46 7.577 6.647 3.969 1.00 0.00 H new ATOM 0 HA2 GLY A 46 5.574 8.032 5.510 1.00 0.00 H new ATOM 0 HA3 GLY A 46 4.984 6.524 4.840 1.00 0.00 H new ATOM 646 N ILE A 47 5.803 5.922 7.274 1.00 0.00 N ATOM 647 CA ILE A 47 6.343 5.182 8.409 1.00 0.00 C ATOM 648 C ILE A 47 5.616 3.854 8.592 1.00 0.00 C ATOM 649 O ILE A 47 4.389 3.789 8.517 1.00 0.00 O ATOM 650 CB ILE A 47 6.237 5.997 9.713 1.00 0.00 C ATOM 651 CG1 ILE A 47 6.814 7.400 9.515 1.00 0.00 C ATOM 652 CG2 ILE A 47 6.954 5.278 10.847 1.00 0.00 C ATOM 653 CD1 ILE A 47 5.998 8.487 10.177 1.00 0.00 C ATOM 0 H ILE A 47 4.805 6.122 7.337 1.00 0.00 H new ATOM 0 HA ILE A 47 7.394 4.992 8.193 1.00 0.00 H new ATOM 0 HB ILE A 47 5.184 6.093 9.978 1.00 0.00 H new ATOM 0 HG12 ILE A 47 7.829 7.426 9.912 1.00 0.00 H new ATOM 0 HG13 ILE A 47 6.884 7.608 8.447 1.00 0.00 H new ATOM 0 HG21 ILE A 47 6.870 5.866 11.761 1.00 0.00 H new ATOM 0 HG22 ILE A 47 6.500 4.299 11.002 1.00 0.00 H new ATOM 0 HG23 ILE A 47 8.006 5.153 10.591 1.00 0.00 H new ATOM 0 HD11 ILE A 47 6.466 9.455 9.995 1.00 0.00 H new ATOM 0 HD12 ILE A 47 4.990 8.488 9.763 1.00 0.00 H new ATOM 0 HD13 ILE A 47 5.950 8.303 11.250 1.00 0.00 H new ATOM 665 N LEU A 48 6.382 2.794 8.832 1.00 0.00 N ATOM 666 CA LEU A 48 5.812 1.466 9.026 1.00 0.00 C ATOM 667 C LEU A 48 5.043 1.392 10.342 1.00 0.00 C ATOM 668 O LEU A 48 5.638 1.311 11.416 1.00 0.00 O ATOM 669 CB LEU A 48 6.915 0.407 9.005 1.00 0.00 C ATOM 670 CG LEU A 48 6.423 -1.041 9.035 1.00 0.00 C ATOM 671 CD1 LEU A 48 5.887 -1.450 7.672 1.00 0.00 C ATOM 672 CD2 LEU A 48 7.541 -1.974 9.473 1.00 0.00 C ATOM 0 H LEU A 48 7.399 2.829 8.897 1.00 0.00 H new ATOM 0 HA LEU A 48 5.117 1.272 8.209 1.00 0.00 H new ATOM 0 HB2 LEU A 48 7.519 0.551 8.109 1.00 0.00 H new ATOM 0 HB3 LEU A 48 7.570 0.570 9.861 1.00 0.00 H new ATOM 0 HG LEU A 48 5.611 -1.115 9.759 1.00 0.00 H new ATOM 0 HD11 LEU A 48 5.541 -2.483 7.712 1.00 0.00 H new ATOM 0 HD12 LEU A 48 5.056 -0.800 7.398 1.00 0.00 H new ATOM 0 HD13 LEU A 48 6.679 -1.361 6.928 1.00 0.00 H new ATOM 0 HD21 LEU A 48 7.173 -3.000 9.489 1.00 0.00 H new ATOM 0 HD22 LEU A 48 8.374 -1.898 8.774 1.00 0.00 H new ATOM 0 HD23 LEU A 48 7.878 -1.694 10.471 1.00 0.00 H new ATOM 684 N ARG A 49 3.717 1.418 10.249 1.00 0.00 N ATOM 685 CA ARG A 49 2.867 1.354 11.432 1.00 0.00 C ATOM 686 C ARG A 49 2.443 -0.084 11.719 1.00 0.00 C ATOM 687 O ARG A 49 2.234 -0.460 12.872 1.00 0.00 O ATOM 688 CB ARG A 49 1.630 2.235 11.247 1.00 0.00 C ATOM 689 CG ARG A 49 1.954 3.705 11.029 1.00 0.00 C ATOM 690 CD ARG A 49 2.649 4.314 12.237 1.00 0.00 C ATOM 691 NE ARG A 49 1.772 5.221 12.976 1.00 0.00 N ATOM 692 CZ ARG A 49 0.968 4.838 13.966 1.00 0.00 C ATOM 693 NH1 ARG A 49 0.920 3.566 14.344 1.00 0.00 N ATOM 694 NH2 ARG A 49 0.207 5.732 14.584 1.00 0.00 N ATOM 0 H ARG A 49 3.209 1.483 9.367 1.00 0.00 H new ATOM 0 HA ARG A 49 3.442 1.722 12.282 1.00 0.00 H new ATOM 0 HB2 ARG A 49 1.057 1.868 10.395 1.00 0.00 H new ATOM 0 HB3 ARG A 49 0.992 2.139 12.125 1.00 0.00 H new ATOM 0 HG2 ARG A 49 2.591 3.811 10.151 1.00 0.00 H new ATOM 0 HG3 ARG A 49 1.035 4.253 10.823 1.00 0.00 H new ATOM 0 HD2 ARG A 49 2.988 3.518 12.900 1.00 0.00 H new ATOM 0 HD3 ARG A 49 3.537 4.855 11.910 1.00 0.00 H new ATOM 0 HE ARG A 49 1.776 6.208 12.717 1.00 0.00 H new ATOM 0 HH11 ARG A 49 1.502 2.872 13.875 1.00 0.00 H new ATOM 0 HH12 ARG A 49 0.301 3.283 15.103 1.00 0.00 H new ATOM 0 HH21 ARG A 49 0.238 6.711 14.301 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -0.409 5.440 15.342 1.00 0.00 H new ATOM 708 N PHE A 50 2.313 -0.880 10.664 1.00 0.00 N ATOM 709 CA PHE A 50 1.912 -2.276 10.803 1.00 0.00 C ATOM 710 C PHE A 50 2.540 -3.135 9.711 1.00 0.00 C ATOM 711 O PHE A 50 3.011 -2.620 8.696 1.00 0.00 O ATOM 712 CB PHE A 50 0.388 -2.395 10.750 1.00 0.00 C ATOM 713 CG PHE A 50 -0.111 -3.801 10.934 1.00 0.00 C ATOM 714 CD1 PHE A 50 -0.227 -4.348 12.202 1.00 0.00 C ATOM 715 CD2 PHE A 50 -0.464 -4.574 9.840 1.00 0.00 C ATOM 716 CE1 PHE A 50 -0.686 -5.640 12.375 1.00 0.00 C ATOM 717 CE2 PHE A 50 -0.923 -5.867 10.008 1.00 0.00 C ATOM 718 CZ PHE A 50 -1.034 -6.400 11.277 1.00 0.00 C ATOM 0 H PHE A 50 2.479 -0.583 9.702 1.00 0.00 H new ATOM 0 HA PHE A 50 2.266 -2.636 11.769 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -0.045 -1.760 11.523 1.00 0.00 H new ATOM 0 HB3 PHE A 50 0.035 -2.015 9.791 1.00 0.00 H new ATOM 0 HD1 PHE A 50 0.044 -3.758 13.065 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -0.380 -4.162 8.845 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -0.772 -6.054 13.369 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -1.195 -6.460 9.147 1.00 0.00 H new ATOM 0 HZ PHE A 50 -1.393 -7.410 11.410 1.00 0.00 H new ATOM 728 N LYS A 51 2.545 -4.447 9.926 1.00 0.00 N ATOM 729 CA LYS A 51 3.116 -5.379 8.960 1.00 0.00 C ATOM 730 C LYS A 51 2.883 -6.822 9.395 1.00 0.00 C ATOM 731 O LYS A 51 3.502 -7.302 10.345 1.00 0.00 O ATOM 732 CB LYS A 51 4.614 -5.120 8.793 1.00 0.00 C ATOM 733 CG LYS A 51 5.358 -4.978 10.112 1.00 0.00 C ATOM 734 CD LYS A 51 6.279 -6.161 10.365 1.00 0.00 C ATOM 735 CE LYS A 51 6.833 -6.142 11.780 1.00 0.00 C ATOM 736 NZ LYS A 51 5.784 -6.444 12.793 1.00 0.00 N ATOM 0 H LYS A 51 2.160 -4.889 10.761 1.00 0.00 H new ATOM 0 HA LYS A 51 2.619 -5.222 8.003 1.00 0.00 H new ATOM 0 HB2 LYS A 51 5.054 -5.938 8.223 1.00 0.00 H new ATOM 0 HB3 LYS A 51 4.754 -4.212 8.207 1.00 0.00 H new ATOM 0 HG2 LYS A 51 5.941 -4.057 10.104 1.00 0.00 H new ATOM 0 HG3 LYS A 51 4.640 -4.894 10.928 1.00 0.00 H new ATOM 0 HD2 LYS A 51 5.734 -7.090 10.199 1.00 0.00 H new ATOM 0 HD3 LYS A 51 7.102 -6.142 9.651 1.00 0.00 H new ATOM 0 HE2 LYS A 51 7.639 -6.871 11.864 1.00 0.00 H new ATOM 0 HE3 LYS A 51 7.266 -5.163 11.987 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 5.738 -5.670 13.486 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 4.863 -6.541 12.320 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 6.018 -7.332 13.281 1.00 0.00 H new ATOM 750 N GLY A 52 1.986 -7.510 8.694 1.00 0.00 N ATOM 751 CA GLY A 52 1.689 -8.891 9.025 1.00 0.00 C ATOM 752 C GLY A 52 0.446 -9.403 8.323 1.00 0.00 C ATOM 753 O GLY A 52 -0.100 -8.732 7.447 1.00 0.00 O ATOM 0 H GLY A 52 1.461 -7.136 7.904 1.00 0.00 H new ATOM 0 HA2 GLY A 52 2.539 -9.517 8.754 1.00 0.00 H new ATOM 0 HA3 GLY A 52 1.557 -8.982 10.103 1.00 0.00 H new ATOM 757 N GLU A 53 -0.001 -10.594 8.708 1.00 0.00 N ATOM 758 CA GLU A 53 -1.187 -11.196 8.110 1.00 0.00 C ATOM 759 C GLU A 53 -2.450 -10.460 8.546 1.00 0.00 C ATOM 760 O GLU A 53 -2.665 -10.227 9.736 1.00 0.00 O ATOM 761 CB GLU A 53 -1.284 -12.673 8.497 1.00 0.00 C ATOM 762 CG GLU A 53 -0.206 -13.539 7.867 1.00 0.00 C ATOM 763 CD GLU A 53 -0.040 -14.870 8.574 1.00 0.00 C ATOM 764 OE1 GLU A 53 -0.464 -14.977 9.743 1.00 0.00 O ATOM 765 OE2 GLU A 53 0.514 -15.805 7.958 1.00 0.00 O ATOM 0 H GLU A 53 0.440 -11.161 9.432 1.00 0.00 H new ATOM 0 HA GLU A 53 -1.098 -11.116 7.027 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -1.221 -12.761 9.582 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -2.262 -13.054 8.203 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -0.453 -13.716 6.820 1.00 0.00 H new ATOM 0 HG3 GLU A 53 0.742 -13.002 7.884 1.00 0.00 H new ATOM 772 N THR A 54 -3.283 -10.098 7.576 1.00 0.00 N ATOM 773 CA THR A 54 -4.525 -9.389 7.860 1.00 0.00 C ATOM 774 C THR A 54 -5.727 -10.316 7.706 1.00 0.00 C ATOM 775 O THR A 54 -5.574 -11.508 7.438 1.00 0.00 O ATOM 776 CB THR A 54 -4.672 -8.183 6.932 1.00 0.00 C ATOM 777 OG1 THR A 54 -4.591 -8.581 5.574 1.00 0.00 O ATOM 778 CG2 THR A 54 -3.620 -7.119 7.162 1.00 0.00 C ATOM 0 H THR A 54 -3.120 -10.284 6.586 1.00 0.00 H new ATOM 0 HA THR A 54 -4.488 -9.040 8.892 1.00 0.00 H new ATOM 0 HB THR A 54 -5.650 -7.760 7.162 1.00 0.00 H new ATOM 0 HG1 THR A 54 -4.589 -9.559 5.519 1.00 0.00 H new ATOM 0 HG21 THR A 54 -3.782 -6.292 6.471 1.00 0.00 H new ATOM 0 HG22 THR A 54 -3.689 -6.755 8.187 1.00 0.00 H new ATOM 0 HG23 THR A 54 -2.630 -7.544 6.994 1.00 0.00 H new ATOM 786 N SER A 55 -6.923 -9.762 7.879 1.00 0.00 N ATOM 787 CA SER A 55 -8.150 -10.541 7.761 1.00 0.00 C ATOM 788 C SER A 55 -8.766 -10.391 6.373 1.00 0.00 C ATOM 789 O SER A 55 -9.458 -11.288 5.891 1.00 0.00 O ATOM 790 CB SER A 55 -9.157 -10.107 8.828 1.00 0.00 C ATOM 791 OG SER A 55 -9.863 -11.221 9.347 1.00 0.00 O ATOM 0 H SER A 55 -7.068 -8.777 8.101 1.00 0.00 H new ATOM 0 HA SER A 55 -7.898 -11.591 7.911 1.00 0.00 H new ATOM 0 HB2 SER A 55 -8.636 -9.594 9.636 1.00 0.00 H new ATOM 0 HB3 SER A 55 -9.861 -9.394 8.399 1.00 0.00 H new ATOM 0 HG SER A 55 -10.499 -10.917 10.028 1.00 0.00 H new ATOM 797 N PHE A 56 -8.514 -9.252 5.734 1.00 0.00 N ATOM 798 CA PHE A 56 -9.049 -8.990 4.404 1.00 0.00 C ATOM 799 C PHE A 56 -8.197 -9.657 3.326 1.00 0.00 C ATOM 800 O PHE A 56 -8.699 -10.019 2.262 1.00 0.00 O ATOM 801 CB PHE A 56 -9.128 -7.483 4.148 1.00 0.00 C ATOM 802 CG PHE A 56 -7.812 -6.775 4.301 1.00 0.00 C ATOM 803 CD1 PHE A 56 -6.914 -6.720 3.246 1.00 0.00 C ATOM 804 CD2 PHE A 56 -7.475 -6.164 5.497 1.00 0.00 C ATOM 805 CE1 PHE A 56 -5.704 -6.067 3.383 1.00 0.00 C ATOM 806 CE2 PHE A 56 -6.265 -5.509 5.640 1.00 0.00 C ATOM 807 CZ PHE A 56 -5.378 -5.462 4.581 1.00 0.00 C ATOM 0 H PHE A 56 -7.944 -8.498 6.116 1.00 0.00 H new ATOM 0 HA PHE A 56 -10.053 -9.413 4.358 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -9.506 -7.314 3.140 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -9.849 -7.044 4.837 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -7.163 -7.193 2.307 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -8.165 -6.199 6.327 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -5.013 -6.030 2.554 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -6.014 -5.035 6.577 1.00 0.00 H new ATOM 0 HZ PHE A 56 -4.432 -4.953 4.690 1.00 0.00 H new ATOM 817 N ALA A 57 -6.908 -9.817 3.608 1.00 0.00 N ATOM 818 CA ALA A 57 -5.993 -10.442 2.661 1.00 0.00 C ATOM 819 C ALA A 57 -4.865 -11.172 3.382 1.00 0.00 C ATOM 820 O ALA A 57 -4.132 -10.578 4.173 1.00 0.00 O ATOM 821 CB ALA A 57 -5.424 -9.398 1.710 1.00 0.00 C ATOM 0 H ALA A 57 -6.475 -9.523 4.483 1.00 0.00 H new ATOM 0 HA ALA A 57 -6.555 -11.177 2.085 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -4.742 -9.878 1.008 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -6.238 -8.925 1.160 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -4.884 -8.642 2.280 1.00 0.00 H new ATOM 827 N LYS A 58 -4.732 -12.465 3.105 1.00 0.00 N ATOM 828 CA LYS A 58 -3.693 -13.278 3.727 1.00 0.00 C ATOM 829 C LYS A 58 -2.303 -12.774 3.347 1.00 0.00 C ATOM 830 O LYS A 58 -2.164 -11.774 2.643 1.00 0.00 O ATOM 831 CB LYS A 58 -3.856 -14.749 3.326 1.00 0.00 C ATOM 832 CG LYS A 58 -3.297 -15.089 1.949 1.00 0.00 C ATOM 833 CD LYS A 58 -3.977 -14.289 0.849 1.00 0.00 C ATOM 834 CE LYS A 58 -5.429 -14.701 0.672 1.00 0.00 C ATOM 835 NZ LYS A 58 -6.299 -13.541 0.329 1.00 0.00 N ATOM 0 H LYS A 58 -5.331 -12.972 2.454 1.00 0.00 H new ATOM 0 HA LYS A 58 -3.799 -13.195 4.809 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -3.362 -15.373 4.070 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -4.915 -15.004 3.348 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -2.225 -14.891 1.933 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -3.427 -16.154 1.757 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -3.926 -13.226 1.087 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -3.441 -14.431 -0.089 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -5.500 -15.453 -0.114 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -5.789 -15.165 1.590 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -6.809 -13.226 1.179 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -5.712 -12.761 -0.031 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -6.984 -13.824 -0.401 1.00 0.00 H new ATOM 849 N GLY A 59 -1.275 -13.475 3.818 1.00 0.00 N ATOM 850 CA GLY A 59 0.089 -13.085 3.517 1.00 0.00 C ATOM 851 C GLY A 59 0.594 -11.985 4.430 1.00 0.00 C ATOM 852 O GLY A 59 0.402 -12.040 5.645 1.00 0.00 O ATOM 0 H GLY A 59 -1.364 -14.306 4.403 1.00 0.00 H new ATOM 0 HA2 GLY A 59 0.740 -13.955 3.607 1.00 0.00 H new ATOM 0 HA3 GLY A 59 0.147 -12.749 2.482 1.00 0.00 H new ATOM 856 N PHE A 60 1.245 -10.985 3.844 1.00 0.00 N ATOM 857 CA PHE A 60 1.781 -9.866 4.612 1.00 0.00 C ATOM 858 C PHE A 60 1.257 -8.538 4.074 1.00 0.00 C ATOM 859 O PHE A 60 1.182 -8.334 2.862 1.00 0.00 O ATOM 860 CB PHE A 60 3.311 -9.881 4.573 1.00 0.00 C ATOM 861 CG PHE A 60 3.938 -10.472 5.803 1.00 0.00 C ATOM 862 CD1 PHE A 60 4.022 -11.846 5.962 1.00 0.00 C ATOM 863 CD2 PHE A 60 4.444 -9.653 6.799 1.00 0.00 C ATOM 864 CE1 PHE A 60 4.600 -12.392 7.092 1.00 0.00 C ATOM 865 CE2 PHE A 60 5.023 -10.194 7.932 1.00 0.00 C ATOM 866 CZ PHE A 60 5.101 -11.565 8.078 1.00 0.00 C ATOM 0 H PHE A 60 1.414 -10.926 2.840 1.00 0.00 H new ATOM 0 HA PHE A 60 1.451 -9.973 5.645 1.00 0.00 H new ATOM 0 HB2 PHE A 60 3.638 -10.447 3.701 1.00 0.00 H new ATOM 0 HB3 PHE A 60 3.673 -8.861 4.445 1.00 0.00 H new ATOM 0 HD1 PHE A 60 3.631 -12.497 5.194 1.00 0.00 H new ATOM 0 HD2 PHE A 60 4.386 -8.580 6.689 1.00 0.00 H new ATOM 0 HE1 PHE A 60 4.660 -13.464 7.204 1.00 0.00 H new ATOM 0 HE2 PHE A 60 5.414 -9.545 8.702 1.00 0.00 H new ATOM 0 HZ PHE A 60 5.553 -11.990 8.962 1.00 0.00 H new ATOM 876 N TRP A 61 0.897 -7.638 4.983 1.00 0.00 N ATOM 877 CA TRP A 61 0.381 -6.329 4.600 1.00 0.00 C ATOM 878 C TRP A 61 0.912 -5.242 5.528 1.00 0.00 C ATOM 879 O TRP A 61 0.586 -5.212 6.715 1.00 0.00 O ATOM 880 CB TRP A 61 -1.149 -6.333 4.622 1.00 0.00 C ATOM 881 CG TRP A 61 -1.755 -7.191 3.553 1.00 0.00 C ATOM 882 CD1 TRP A 61 -2.179 -8.482 3.681 1.00 0.00 C ATOM 883 CD2 TRP A 61 -2.003 -6.819 2.193 1.00 0.00 C ATOM 884 NE1 TRP A 61 -2.677 -8.935 2.483 1.00 0.00 N ATOM 885 CE2 TRP A 61 -2.580 -7.932 1.555 1.00 0.00 C ATOM 886 CE3 TRP A 61 -1.795 -5.651 1.453 1.00 0.00 C ATOM 887 CZ2 TRP A 61 -2.950 -7.912 0.211 1.00 0.00 C ATOM 888 CZ3 TRP A 61 -2.162 -5.632 0.121 1.00 0.00 C ATOM 889 CH2 TRP A 61 -2.735 -6.756 -0.488 1.00 0.00 C ATOM 0 H TRP A 61 0.953 -7.791 5.990 1.00 0.00 H new ATOM 0 HA TRP A 61 0.722 -6.115 3.587 1.00 0.00 H new ATOM 0 HB2 TRP A 61 -1.491 -6.683 5.596 1.00 0.00 H new ATOM 0 HB3 TRP A 61 -1.510 -5.311 4.506 1.00 0.00 H new ATOM 0 HD1 TRP A 61 -2.130 -9.062 4.590 1.00 0.00 H new ATOM 0 HE1 TRP A 61 -3.057 -9.866 2.313 1.00 0.00 H new ATOM 0 HE3 TRP A 61 -1.355 -4.779 1.914 1.00 0.00 H new ATOM 0 HZ2 TRP A 61 -3.390 -8.778 -0.261 1.00 0.00 H new ATOM 0 HZ3 TRP A 61 -2.004 -4.736 -0.460 1.00 0.00 H new ATOM 0 HH2 TRP A 61 -3.013 -6.709 -1.531 1.00 0.00 H new ATOM 900 N ALA A 62 1.731 -4.351 4.981 1.00 0.00 N ATOM 901 CA ALA A 62 2.307 -3.263 5.760 1.00 0.00 C ATOM 902 C ALA A 62 1.462 -1.999 5.648 1.00 0.00 C ATOM 903 O ALA A 62 1.129 -1.559 4.547 1.00 0.00 O ATOM 904 CB ALA A 62 3.734 -2.988 5.309 1.00 0.00 C ATOM 0 H ALA A 62 2.011 -4.361 4.000 1.00 0.00 H new ATOM 0 HA ALA A 62 2.321 -3.567 6.807 1.00 0.00 H new ATOM 0 HB1 ALA A 62 4.152 -2.173 5.900 1.00 0.00 H new ATOM 0 HB2 ALA A 62 4.339 -3.884 5.449 1.00 0.00 H new ATOM 0 HB3 ALA A 62 3.735 -2.710 4.255 1.00 0.00 H new ATOM 910 N GLY A 63 1.118 -1.418 6.793 1.00 0.00 N ATOM 911 CA GLY A 63 0.316 -0.210 6.800 1.00 0.00 C ATOM 912 C GLY A 63 1.143 1.035 7.055 1.00 0.00 C ATOM 913 O GLY A 63 1.282 1.474 8.196 1.00 0.00 O ATOM 0 H GLY A 63 1.381 -1.763 7.716 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -0.196 -0.112 5.843 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -0.454 -0.294 7.567 1.00 0.00 H new ATOM 917 N VAL A 64 1.695 1.605 5.988 1.00 0.00 N ATOM 918 CA VAL A 64 2.514 2.804 6.101 1.00 0.00 C ATOM 919 C VAL A 64 1.645 4.049 6.254 1.00 0.00 C ATOM 920 O VAL A 64 0.608 4.179 5.604 1.00 0.00 O ATOM 921 CB VAL A 64 3.428 2.980 4.873 1.00 0.00 C ATOM 922 CG1 VAL A 64 4.432 4.097 5.110 1.00 0.00 C ATOM 923 CG2 VAL A 64 4.138 1.675 4.545 1.00 0.00 C ATOM 0 H VAL A 64 1.589 1.255 5.036 1.00 0.00 H new ATOM 0 HA VAL A 64 3.133 2.681 6.990 1.00 0.00 H new ATOM 0 HB VAL A 64 2.809 3.255 4.019 1.00 0.00 H new ATOM 0 HG11 VAL A 64 5.069 4.206 4.232 1.00 0.00 H new ATOM 0 HG12 VAL A 64 3.901 5.031 5.292 1.00 0.00 H new ATOM 0 HG13 VAL A 64 5.047 3.855 5.977 1.00 0.00 H new ATOM 0 HG21 VAL A 64 4.779 1.818 3.675 1.00 0.00 H new ATOM 0 HG22 VAL A 64 4.745 1.367 5.396 1.00 0.00 H new ATOM 0 HG23 VAL A 64 3.399 0.903 4.328 1.00 0.00 H new ATOM 933 N GLU A 65 2.076 4.961 7.119 1.00 0.00 N ATOM 934 CA GLU A 65 1.338 6.196 7.358 1.00 0.00 C ATOM 935 C GLU A 65 1.973 7.363 6.609 1.00 0.00 C ATOM 936 O GLU A 65 2.974 7.927 7.052 1.00 0.00 O ATOM 937 CB GLU A 65 1.288 6.504 8.855 1.00 0.00 C ATOM 938 CG GLU A 65 0.348 7.644 9.210 1.00 0.00 C ATOM 939 CD GLU A 65 0.989 8.665 10.131 1.00 0.00 C ATOM 940 OE1 GLU A 65 2.188 8.959 9.948 1.00 0.00 O ATOM 941 OE2 GLU A 65 0.290 9.169 11.036 1.00 0.00 O ATOM 0 H GLU A 65 2.932 4.868 7.666 1.00 0.00 H new ATOM 0 HA GLU A 65 0.322 6.059 6.988 1.00 0.00 H new ATOM 0 HB2 GLU A 65 0.978 5.608 9.392 1.00 0.00 H new ATOM 0 HB3 GLU A 65 2.292 6.751 9.200 1.00 0.00 H new ATOM 0 HG2 GLU A 65 0.022 8.139 8.295 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -0.544 7.239 9.688 1.00 0.00 H new ATOM 948 N LEU A 66 1.385 7.720 5.472 1.00 0.00 N ATOM 949 CA LEU A 66 1.894 8.820 4.661 1.00 0.00 C ATOM 950 C LEU A 66 1.804 10.141 5.419 1.00 0.00 C ATOM 951 O LEU A 66 0.892 10.348 6.219 1.00 0.00 O ATOM 952 CB LEU A 66 1.114 8.915 3.349 1.00 0.00 C ATOM 953 CG LEU A 66 1.001 7.605 2.567 1.00 0.00 C ATOM 954 CD1 LEU A 66 0.254 7.826 1.261 1.00 0.00 C ATOM 955 CD2 LEU A 66 2.383 7.020 2.303 1.00 0.00 C ATOM 0 H LEU A 66 0.556 7.264 5.091 1.00 0.00 H new ATOM 0 HA LEU A 66 2.942 8.622 4.438 1.00 0.00 H new ATOM 0 HB2 LEU A 66 0.110 9.278 3.567 1.00 0.00 H new ATOM 0 HB3 LEU A 66 1.592 9.660 2.713 1.00 0.00 H new ATOM 0 HG LEU A 66 0.436 6.892 3.168 1.00 0.00 H new ATOM 0 HD11 LEU A 66 0.183 6.883 0.718 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -0.748 8.198 1.474 1.00 0.00 H new ATOM 0 HD13 LEU A 66 0.791 8.555 0.654 1.00 0.00 H new ATOM 0 HD21 LEU A 66 2.283 6.088 1.746 1.00 0.00 H new ATOM 0 HD22 LEU A 66 2.973 7.729 1.722 1.00 0.00 H new ATOM 0 HD23 LEU A 66 2.882 6.824 3.252 1.00 0.00 H new ATOM 967 N ASP A 67 2.758 11.030 5.164 1.00 0.00 N ATOM 968 CA ASP A 67 2.789 12.330 5.824 1.00 0.00 C ATOM 969 C ASP A 67 1.635 13.210 5.355 1.00 0.00 C ATOM 970 O ASP A 67 1.049 13.953 6.143 1.00 0.00 O ATOM 971 CB ASP A 67 4.122 13.031 5.554 1.00 0.00 C ATOM 972 CG ASP A 67 5.313 12.174 5.931 1.00 0.00 C ATOM 973 OD1 ASP A 67 5.701 11.304 5.122 1.00 0.00 O ATOM 974 OD2 ASP A 67 5.860 12.371 7.037 1.00 0.00 O ATOM 0 H ASP A 67 3.520 10.874 4.505 1.00 0.00 H new ATOM 0 HA ASP A 67 2.682 12.166 6.896 1.00 0.00 H new ATOM 0 HB2 ASP A 67 4.185 13.291 4.497 1.00 0.00 H new ATOM 0 HB3 ASP A 67 4.158 13.965 6.115 1.00 0.00 H new ATOM 979 N LYS A 68 1.314 13.124 4.069 1.00 0.00 N ATOM 980 CA LYS A 68 0.230 13.916 3.497 1.00 0.00 C ATOM 981 C LYS A 68 -0.929 13.022 3.061 1.00 0.00 C ATOM 982 O LYS A 68 -0.724 11.870 2.682 1.00 0.00 O ATOM 983 CB LYS A 68 0.739 14.728 2.304 1.00 0.00 C ATOM 984 CG LYS A 68 1.668 15.866 2.695 1.00 0.00 C ATOM 985 CD LYS A 68 2.563 16.276 1.538 1.00 0.00 C ATOM 986 CE LYS A 68 3.706 17.163 2.005 1.00 0.00 C ATOM 987 NZ LYS A 68 4.564 17.606 0.873 1.00 0.00 N ATOM 0 H LYS A 68 1.788 12.514 3.403 1.00 0.00 H new ATOM 0 HA LYS A 68 -0.132 14.599 4.266 1.00 0.00 H new ATOM 0 HB2 LYS A 68 1.263 14.062 1.618 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -0.114 15.136 1.762 1.00 0.00 H new ATOM 0 HG2 LYS A 68 1.078 16.723 3.022 1.00 0.00 H new ATOM 0 HG3 LYS A 68 2.283 15.561 3.542 1.00 0.00 H new ATOM 0 HD2 LYS A 68 2.966 15.386 1.055 1.00 0.00 H new ATOM 0 HD3 LYS A 68 1.973 16.805 0.790 1.00 0.00 H new ATOM 0 HE2 LYS A 68 3.302 18.036 2.517 1.00 0.00 H new ATOM 0 HE3 LYS A 68 4.313 16.621 2.730 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 5.331 18.208 1.234 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 4.971 16.774 0.399 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 3.991 18.146 0.193 1.00 0.00 H new ATOM 1001 N PRO A 69 -2.166 13.546 3.109 1.00 0.00 N ATOM 1002 CA PRO A 69 -3.361 12.790 2.717 1.00 0.00 C ATOM 1003 C PRO A 69 -3.255 12.237 1.299 1.00 0.00 C ATOM 1004 O PRO A 69 -3.703 12.868 0.341 1.00 0.00 O ATOM 1005 CB PRO A 69 -4.488 13.822 2.803 1.00 0.00 C ATOM 1006 CG PRO A 69 -3.987 14.858 3.748 1.00 0.00 C ATOM 1007 CD PRO A 69 -2.499 14.914 3.549 1.00 0.00 C ATOM 0 HA PRO A 69 -3.516 11.920 3.355 1.00 0.00 H new ATOM 0 HB2 PRO A 69 -4.706 14.251 1.825 1.00 0.00 H new ATOM 0 HB3 PRO A 69 -5.411 13.370 3.166 1.00 0.00 H new ATOM 0 HG2 PRO A 69 -4.445 15.826 3.544 1.00 0.00 H new ATOM 0 HG3 PRO A 69 -4.234 14.599 4.778 1.00 0.00 H new ATOM 0 HD2 PRO A 69 -2.220 15.656 2.801 1.00 0.00 H new ATOM 0 HD3 PRO A 69 -1.979 15.179 4.470 1.00 0.00 H new ATOM 1015 N GLU A 70 -2.659 11.056 1.173 1.00 0.00 N ATOM 1016 CA GLU A 70 -2.492 10.419 -0.128 1.00 0.00 C ATOM 1017 C GLU A 70 -3.147 9.041 -0.151 1.00 0.00 C ATOM 1018 O GLU A 70 -3.741 8.642 -1.153 1.00 0.00 O ATOM 1019 CB GLU A 70 -1.007 10.298 -0.473 1.00 0.00 C ATOM 1020 CG GLU A 70 -0.451 11.509 -1.203 1.00 0.00 C ATOM 1021 CD GLU A 70 -1.035 11.672 -2.593 1.00 0.00 C ATOM 1022 OE1 GLU A 70 -1.128 10.661 -3.320 1.00 0.00 O ATOM 1023 OE2 GLU A 70 -1.399 12.811 -2.953 1.00 0.00 O ATOM 0 H GLU A 70 -2.284 10.521 1.956 1.00 0.00 H new ATOM 0 HA GLU A 70 -2.982 11.044 -0.875 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -0.440 10.146 0.446 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -0.857 9.412 -1.090 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -0.657 12.406 -0.619 1.00 0.00 H new ATOM 0 HG3 GLU A 70 0.633 11.418 -1.277 1.00 0.00 H new ATOM 1030 N GLY A 71 -3.034 8.316 0.957 1.00 0.00 N ATOM 1031 CA GLY A 71 -3.619 6.991 1.041 1.00 0.00 C ATOM 1032 C GLY A 71 -5.133 7.021 0.986 1.00 0.00 C ATOM 1033 O GLY A 71 -5.730 8.052 0.680 1.00 0.00 O ATOM 0 H GLY A 71 -2.547 8.623 1.799 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -3.241 6.378 0.223 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -3.302 6.515 1.969 1.00 0.00 H new ATOM 1037 N ASN A 72 -5.756 5.884 1.284 1.00 0.00 N ATOM 1038 CA ASN A 72 -7.211 5.783 1.268 1.00 0.00 C ATOM 1039 C ASN A 72 -7.715 4.963 2.451 1.00 0.00 C ATOM 1040 O ASN A 72 -8.744 4.291 2.360 1.00 0.00 O ATOM 1041 CB ASN A 72 -7.684 5.154 -0.044 1.00 0.00 C ATOM 1042 CG ASN A 72 -7.048 3.802 -0.298 1.00 0.00 C ATOM 1043 OD1 ASN A 72 -7.685 2.761 -0.133 1.00 0.00 O ATOM 1044 ND2 ASN A 72 -5.783 3.809 -0.702 1.00 0.00 N ATOM 0 H ASN A 72 -5.276 5.021 1.539 1.00 0.00 H new ATOM 0 HA ASN A 72 -7.621 6.790 1.349 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -8.768 5.044 -0.021 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -7.449 5.824 -0.871 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -5.302 2.929 -0.888 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -5.292 4.694 -0.826 1.00 0.00 H new ATOM 1051 N ASN A 73 -6.985 5.021 3.559 1.00 0.00 N ATOM 1052 CA ASN A 73 -7.360 4.283 4.761 1.00 0.00 C ATOM 1053 C ASN A 73 -7.042 5.091 6.015 1.00 0.00 C ATOM 1054 O ASN A 73 -6.395 6.136 5.945 1.00 0.00 O ATOM 1055 CB ASN A 73 -6.632 2.939 4.808 1.00 0.00 C ATOM 1056 CG ASN A 73 -7.313 1.882 3.960 1.00 0.00 C ATOM 1057 OD1 ASN A 73 -8.232 1.202 4.417 1.00 0.00 O ATOM 1058 ND2 ASN A 73 -6.864 1.740 2.719 1.00 0.00 N ATOM 0 H ASN A 73 -6.131 5.571 3.651 1.00 0.00 H new ATOM 0 HA ASN A 73 -8.435 4.104 4.728 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -5.607 3.072 4.463 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -6.579 2.594 5.840 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -7.283 1.045 2.101 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -6.100 2.326 2.383 1.00 0.00 H new ATOM 1065 N ASN A 74 -7.503 4.600 7.162 1.00 0.00 N ATOM 1066 CA ASN A 74 -7.267 5.277 8.431 1.00 0.00 C ATOM 1067 C ASN A 74 -6.786 4.295 9.496 1.00 0.00 C ATOM 1068 O ASN A 74 -6.961 4.529 10.692 1.00 0.00 O ATOM 1069 CB ASN A 74 -8.543 5.975 8.905 1.00 0.00 C ATOM 1070 CG ASN A 74 -9.697 5.007 9.085 1.00 0.00 C ATOM 1071 OD1 ASN A 74 -9.498 3.796 9.170 1.00 0.00 O ATOM 1072 ND2 ASN A 74 -10.912 5.540 9.143 1.00 0.00 N ATOM 0 H ASN A 74 -8.041 3.737 7.238 1.00 0.00 H new ATOM 0 HA ASN A 74 -6.488 6.023 8.274 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -8.347 6.483 9.849 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -8.824 6.742 8.183 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -11.727 4.939 9.263 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -11.030 6.550 9.068 1.00 0.00 H new ATOM 1079 N GLY A 75 -6.179 3.198 9.056 1.00 0.00 N ATOM 1080 CA GLY A 75 -5.683 2.202 9.988 1.00 0.00 C ATOM 1081 C GLY A 75 -6.683 1.090 10.243 1.00 0.00 C ATOM 1082 O GLY A 75 -6.301 -0.030 10.583 1.00 0.00 O ATOM 0 H GLY A 75 -6.022 2.981 8.072 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -4.760 1.773 9.598 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -5.435 2.686 10.933 1.00 0.00 H new ATOM 1086 N THR A 76 -7.966 1.398 10.080 1.00 0.00 N ATOM 1087 CA THR A 76 -9.020 0.414 10.296 1.00 0.00 C ATOM 1088 C THR A 76 -9.554 -0.116 8.969 1.00 0.00 C ATOM 1089 O THR A 76 -10.329 0.555 8.287 1.00 0.00 O ATOM 1090 CB THR A 76 -10.161 1.029 11.108 1.00 0.00 C ATOM 1091 OG1 THR A 76 -9.701 2.135 11.864 1.00 0.00 O ATOM 1092 CG2 THR A 76 -10.807 0.053 12.068 1.00 0.00 C ATOM 0 H THR A 76 -8.300 2.320 9.799 1.00 0.00 H new ATOM 0 HA THR A 76 -8.593 -0.420 10.853 1.00 0.00 H new ATOM 0 HB THR A 76 -10.905 1.336 10.373 1.00 0.00 H new ATOM 0 HG1 THR A 76 -9.588 2.910 11.275 1.00 0.00 H new ATOM 0 HG21 THR A 76 -11.608 0.554 12.612 1.00 0.00 H new ATOM 0 HG22 THR A 76 -11.218 -0.788 11.510 1.00 0.00 H new ATOM 0 HG23 THR A 76 -10.061 -0.310 12.774 1.00 0.00 H new ATOM 1100 N TYR A 77 -9.134 -1.324 8.609 1.00 0.00 N ATOM 1101 CA TYR A 77 -9.569 -1.945 7.364 1.00 0.00 C ATOM 1102 C TYR A 77 -10.738 -2.894 7.610 1.00 0.00 C ATOM 1103 O TYR A 77 -10.562 -3.981 8.160 1.00 0.00 O ATOM 1104 CB TYR A 77 -8.409 -2.703 6.714 1.00 0.00 C ATOM 1105 CG TYR A 77 -8.547 -2.853 5.216 1.00 0.00 C ATOM 1106 CD1 TYR A 77 -9.286 -3.894 4.668 1.00 0.00 C ATOM 1107 CD2 TYR A 77 -7.937 -1.955 4.349 1.00 0.00 C ATOM 1108 CE1 TYR A 77 -9.413 -4.035 3.299 1.00 0.00 C ATOM 1109 CE2 TYR A 77 -8.060 -2.089 2.979 1.00 0.00 C ATOM 1110 CZ TYR A 77 -8.799 -3.130 2.460 1.00 0.00 C ATOM 1111 OH TYR A 77 -8.924 -3.267 1.096 1.00 0.00 O ATOM 0 H TYR A 77 -8.493 -1.892 9.162 1.00 0.00 H new ATOM 0 HA TYR A 77 -9.900 -1.156 6.689 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -7.477 -2.182 6.934 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -8.335 -3.693 7.164 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -9.769 -4.605 5.322 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -7.357 -1.138 4.752 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -9.990 -4.850 2.889 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -7.580 -1.382 2.319 1.00 0.00 H new ATOM 0 HH TYR A 77 -8.432 -2.547 0.648 1.00 0.00 H new ATOM 1121 N ASP A 78 -11.930 -2.475 7.200 1.00 0.00 N ATOM 1122 CA ASP A 78 -13.129 -3.286 7.376 1.00 0.00 C ATOM 1123 C ASP A 78 -13.421 -3.514 8.857 1.00 0.00 C ATOM 1124 O ASP A 78 -13.984 -4.540 9.238 1.00 0.00 O ATOM 1125 CB ASP A 78 -12.971 -4.630 6.663 1.00 0.00 C ATOM 1126 CG ASP A 78 -14.247 -5.073 5.973 1.00 0.00 C ATOM 1127 OD1 ASP A 78 -15.227 -5.387 6.681 1.00 0.00 O ATOM 1128 OD2 ASP A 78 -14.267 -5.105 4.725 1.00 0.00 O ATOM 0 H ASP A 78 -12.092 -1.578 6.743 1.00 0.00 H new ATOM 0 HA ASP A 78 -13.969 -2.746 6.938 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -12.170 -4.556 5.927 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -12.670 -5.388 7.386 1.00 0.00 H new ATOM 1133 N GLY A 79 -13.035 -2.550 9.687 1.00 0.00 N ATOM 1134 CA GLY A 79 -13.264 -2.665 11.115 1.00 0.00 C ATOM 1135 C GLY A 79 -12.011 -3.054 11.876 1.00 0.00 C ATOM 1136 O GLY A 79 -11.839 -2.675 13.034 1.00 0.00 O ATOM 0 H GLY A 79 -12.568 -1.691 9.396 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -13.637 -1.715 11.497 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -14.040 -3.408 11.296 1.00 0.00 H new ATOM 1140 N ILE A 80 -11.136 -3.812 11.224 1.00 0.00 N ATOM 1141 CA ILE A 80 -9.894 -4.253 11.848 1.00 0.00 C ATOM 1142 C ILE A 80 -8.902 -3.101 11.972 1.00 0.00 C ATOM 1143 O ILE A 80 -8.351 -2.633 10.977 1.00 0.00 O ATOM 1144 CB ILE A 80 -9.238 -5.395 11.049 1.00 0.00 C ATOM 1145 CG1 ILE A 80 -10.262 -6.492 10.752 1.00 0.00 C ATOM 1146 CG2 ILE A 80 -8.051 -5.964 11.813 1.00 0.00 C ATOM 1147 CD1 ILE A 80 -10.802 -7.165 11.994 1.00 0.00 C ATOM 0 H ILE A 80 -11.264 -4.134 10.264 1.00 0.00 H new ATOM 0 HA ILE A 80 -10.152 -4.617 12.843 1.00 0.00 H new ATOM 0 HB ILE A 80 -8.877 -4.994 10.102 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -11.092 -6.061 10.192 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -9.801 -7.244 10.112 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -7.599 -6.770 11.235 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -7.314 -5.178 11.978 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -8.389 -6.352 12.774 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -11.522 -7.932 11.708 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -9.981 -7.625 12.544 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -11.292 -6.424 12.626 1.00 0.00 H new ATOM 1159 N ALA A 81 -8.681 -2.648 13.203 1.00 0.00 N ATOM 1160 CA ALA A 81 -7.755 -1.551 13.457 1.00 0.00 C ATOM 1161 C ALA A 81 -6.337 -2.067 13.671 1.00 0.00 C ATOM 1162 O ALA A 81 -6.069 -2.797 14.626 1.00 0.00 O ATOM 1163 CB ALA A 81 -8.213 -0.745 14.664 1.00 0.00 C ATOM 0 H ALA A 81 -9.130 -3.024 14.038 1.00 0.00 H new ATOM 0 HA ALA A 81 -7.748 -0.903 12.581 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -7.513 0.071 14.843 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -9.206 -0.337 14.474 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -8.249 -1.391 15.541 1.00 0.00 H new ATOM 1169 N TYR A 82 -5.431 -1.685 12.777 1.00 0.00 N ATOM 1170 CA TYR A 82 -4.039 -2.110 12.868 1.00 0.00 C ATOM 1171 C TYR A 82 -3.167 -1.001 13.448 1.00 0.00 C ATOM 1172 O TYR A 82 -2.211 -1.267 14.176 1.00 0.00 O ATOM 1173 CB TYR A 82 -3.516 -2.515 11.488 1.00 0.00 C ATOM 1174 CG TYR A 82 -4.362 -3.565 10.804 1.00 0.00 C ATOM 1175 CD1 TYR A 82 -5.459 -3.205 10.031 1.00 0.00 C ATOM 1176 CD2 TYR A 82 -4.064 -4.916 10.932 1.00 0.00 C ATOM 1177 CE1 TYR A 82 -6.235 -4.161 9.404 1.00 0.00 C ATOM 1178 CE2 TYR A 82 -4.835 -5.878 10.307 1.00 0.00 C ATOM 1179 CZ TYR A 82 -5.919 -5.496 9.546 1.00 0.00 C ATOM 1180 OH TYR A 82 -6.689 -6.452 8.923 1.00 0.00 O ATOM 0 H TYR A 82 -5.636 -1.081 11.981 1.00 0.00 H new ATOM 0 HA TYR A 82 -3.992 -2.971 13.535 1.00 0.00 H new ATOM 0 HB2 TYR A 82 -3.467 -1.630 10.853 1.00 0.00 H new ATOM 0 HB3 TYR A 82 -2.498 -2.891 11.590 1.00 0.00 H new ATOM 0 HD1 TYR A 82 -5.709 -2.160 9.918 1.00 0.00 H new ATOM 0 HD2 TYR A 82 -3.217 -5.219 11.529 1.00 0.00 H new ATOM 0 HE1 TYR A 82 -7.084 -3.865 8.806 1.00 0.00 H new ATOM 0 HE2 TYR A 82 -4.589 -6.924 10.414 1.00 0.00 H new ATOM 0 HH TYR A 82 -6.834 -6.197 7.988 1.00 0.00 H new ATOM 1190 N PHE A 83 -3.505 0.243 13.122 1.00 0.00 N ATOM 1191 CA PHE A 83 -2.752 1.392 13.611 1.00 0.00 C ATOM 1192 C PHE A 83 -3.641 2.630 13.692 1.00 0.00 C ATOM 1193 O PHE A 83 -4.834 2.570 13.395 1.00 0.00 O ATOM 1194 CB PHE A 83 -1.554 1.669 12.702 1.00 0.00 C ATOM 1195 CG PHE A 83 -1.894 1.645 11.238 1.00 0.00 C ATOM 1196 CD1 PHE A 83 -1.889 0.453 10.533 1.00 0.00 C ATOM 1197 CD2 PHE A 83 -2.216 2.815 10.569 1.00 0.00 C ATOM 1198 CE1 PHE A 83 -2.201 0.427 9.186 1.00 0.00 C ATOM 1199 CE2 PHE A 83 -2.529 2.796 9.223 1.00 0.00 C ATOM 1200 CZ PHE A 83 -2.522 1.600 8.531 1.00 0.00 C ATOM 0 H PHE A 83 -4.295 0.480 12.522 1.00 0.00 H new ATOM 0 HA PHE A 83 -2.392 1.159 14.613 1.00 0.00 H new ATOM 0 HB2 PHE A 83 -1.135 2.643 12.954 1.00 0.00 H new ATOM 0 HB3 PHE A 83 -0.779 0.928 12.899 1.00 0.00 H new ATOM 0 HD1 PHE A 83 -1.639 -0.467 11.041 1.00 0.00 H new ATOM 0 HD2 PHE A 83 -2.222 3.752 11.105 1.00 0.00 H new ATOM 0 HE1 PHE A 83 -2.194 -0.509 8.647 1.00 0.00 H new ATOM 0 HE2 PHE A 83 -2.779 3.715 8.713 1.00 0.00 H new ATOM 0 HZ PHE A 83 -2.767 1.582 7.479 1.00 0.00 H new ATOM 1210 N GLU A 84 -3.051 3.751 14.097 1.00 0.00 N ATOM 1211 CA GLU A 84 -3.790 5.003 14.217 1.00 0.00 C ATOM 1212 C GLU A 84 -3.266 6.041 13.231 1.00 0.00 C ATOM 1213 O GLU A 84 -2.060 6.148 13.009 1.00 0.00 O ATOM 1214 CB GLU A 84 -3.692 5.542 15.645 1.00 0.00 C ATOM 1215 CG GLU A 84 -4.474 6.827 15.865 1.00 0.00 C ATOM 1216 CD GLU A 84 -3.843 7.723 16.913 1.00 0.00 C ATOM 1217 OE1 GLU A 84 -3.716 7.280 18.074 1.00 0.00 O ATOM 1218 OE2 GLU A 84 -3.476 8.867 16.572 1.00 0.00 O ATOM 0 H GLU A 84 -2.064 3.818 14.347 1.00 0.00 H new ATOM 0 HA GLU A 84 -4.836 4.803 13.983 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -4.055 4.782 16.337 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -2.644 5.718 15.887 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -4.545 7.371 14.923 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -5.492 6.581 16.168 1.00 0.00 H new ATOM 1225 N CYS A 85 -4.180 6.807 12.644 1.00 0.00 N ATOM 1226 CA CYS A 85 -3.811 7.839 11.682 1.00 0.00 C ATOM 1227 C CYS A 85 -5.038 8.618 11.221 1.00 0.00 C ATOM 1228 O CYS A 85 -6.149 8.387 11.700 1.00 0.00 O ATOM 1229 CB CYS A 85 -3.105 7.214 10.477 1.00 0.00 C ATOM 1230 SG CYS A 85 -4.066 5.929 9.644 1.00 0.00 S ATOM 0 H CYS A 85 -5.182 6.732 12.818 1.00 0.00 H new ATOM 0 HA CYS A 85 -3.128 8.532 12.174 1.00 0.00 H new ATOM 0 HB2 CYS A 85 -2.870 8.000 9.759 1.00 0.00 H new ATOM 0 HB3 CYS A 85 -2.157 6.788 10.805 1.00 0.00 H new ATOM 0 HG CYS A 85 -3.556 4.764 9.912 1.00 0.00 H new ATOM 1236 N LYS A 86 -4.830 9.544 10.291 1.00 0.00 N ATOM 1237 CA LYS A 86 -5.920 10.360 9.766 1.00 0.00 C ATOM 1238 C LYS A 86 -6.946 9.494 9.039 1.00 0.00 C ATOM 1239 O LYS A 86 -6.864 8.267 9.059 1.00 0.00 O ATOM 1240 CB LYS A 86 -5.371 11.429 8.819 1.00 0.00 C ATOM 1241 CG LYS A 86 -5.284 12.810 9.448 1.00 0.00 C ATOM 1242 CD LYS A 86 -4.083 12.926 10.374 1.00 0.00 C ATOM 1243 CE LYS A 86 -2.955 13.724 9.736 1.00 0.00 C ATOM 1244 NZ LYS A 86 -1.658 12.996 9.793 1.00 0.00 N ATOM 0 H LYS A 86 -3.917 9.749 9.885 1.00 0.00 H new ATOM 0 HA LYS A 86 -6.415 10.848 10.605 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -4.379 11.129 8.482 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -6.006 11.481 7.935 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -5.215 13.564 8.664 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -6.197 13.014 10.007 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -4.386 13.405 11.305 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -3.724 11.929 10.631 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -3.205 13.939 8.697 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -2.856 14.683 10.245 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -0.883 13.648 9.555 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -1.512 12.621 10.752 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -1.671 12.210 9.112 1.00 0.00 H new ATOM 1258 N GLU A 87 -7.912 10.146 8.400 1.00 0.00 N ATOM 1259 CA GLU A 87 -8.956 9.438 7.667 1.00 0.00 C ATOM 1260 C GLU A 87 -8.403 8.831 6.382 1.00 0.00 C ATOM 1261 O GLU A 87 -8.783 7.728 5.990 1.00 0.00 O ATOM 1262 CB GLU A 87 -10.114 10.386 7.346 1.00 0.00 C ATOM 1263 CG GLU A 87 -11.469 9.863 7.792 1.00 0.00 C ATOM 1264 CD GLU A 87 -12.247 9.218 6.662 1.00 0.00 C ATOM 1265 OE1 GLU A 87 -12.603 9.932 5.702 1.00 0.00 O ATOM 1266 OE2 GLU A 87 -12.500 7.997 6.737 1.00 0.00 O ATOM 0 H GLU A 87 -7.994 11.162 8.375 1.00 0.00 H new ATOM 0 HA GLU A 87 -9.325 8.628 8.297 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -9.929 11.347 7.825 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -10.139 10.565 6.271 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -11.328 9.136 8.592 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -12.053 10.685 8.207 1.00 0.00 H new ATOM 1273 N LYS A 88 -7.503 9.560 5.727 1.00 0.00 N ATOM 1274 CA LYS A 88 -6.900 9.092 4.485 1.00 0.00 C ATOM 1275 C LYS A 88 -5.397 9.360 4.474 1.00 0.00 C ATOM 1276 O LYS A 88 -4.894 10.113 3.640 1.00 0.00 O ATOM 1277 CB LYS A 88 -7.561 9.773 3.284 1.00 0.00 C ATOM 1278 CG LYS A 88 -9.079 9.707 3.308 1.00 0.00 C ATOM 1279 CD LYS A 88 -9.677 10.147 1.982 1.00 0.00 C ATOM 1280 CE LYS A 88 -9.467 11.634 1.744 1.00 0.00 C ATOM 1281 NZ LYS A 88 -9.275 11.943 0.300 1.00 0.00 N ATOM 0 H LYS A 88 -7.176 10.476 6.036 1.00 0.00 H new ATOM 0 HA LYS A 88 -7.059 8.016 4.416 1.00 0.00 H new ATOM 0 HB2 LYS A 88 -7.251 10.818 3.253 1.00 0.00 H new ATOM 0 HB3 LYS A 88 -7.200 9.306 2.368 1.00 0.00 H new ATOM 0 HG2 LYS A 88 -9.396 8.688 3.531 1.00 0.00 H new ATOM 0 HG3 LYS A 88 -9.459 10.342 4.108 1.00 0.00 H new ATOM 0 HD2 LYS A 88 -9.222 9.579 1.170 1.00 0.00 H new ATOM 0 HD3 LYS A 88 -10.744 9.922 1.970 1.00 0.00 H new ATOM 0 HE2 LYS A 88 -10.326 12.187 2.123 1.00 0.00 H new ATOM 0 HE3 LYS A 88 -8.597 11.973 2.307 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 -9.135 12.966 0.180 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -8.440 11.435 -0.056 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 -10.116 11.643 -0.234 1.00 0.00 H new ATOM 1295 N HIS A 89 -4.684 8.735 5.407 1.00 0.00 N ATOM 1296 CA HIS A 89 -3.238 8.904 5.505 1.00 0.00 C ATOM 1297 C HIS A 89 -2.527 7.558 5.421 1.00 0.00 C ATOM 1298 O HIS A 89 -1.515 7.420 4.735 1.00 0.00 O ATOM 1299 CB HIS A 89 -2.873 9.607 6.814 1.00 0.00 C ATOM 1300 CG HIS A 89 -2.701 11.087 6.670 1.00 0.00 C ATOM 1301 ND1 HIS A 89 -1.566 11.769 7.045 1.00 0.00 N ATOM 1302 CD2 HIS A 89 -3.553 12.022 6.176 1.00 0.00 C ATOM 1303 CE1 HIS A 89 -1.758 13.068 6.776 1.00 0.00 C ATOM 1304 NE2 HIS A 89 -2.948 13.273 6.246 1.00 0.00 N ATOM 0 H HIS A 89 -5.084 8.108 6.105 1.00 0.00 H new ATOM 0 HA HIS A 89 -2.911 9.520 4.667 1.00 0.00 H new ATOM 0 HB2 HIS A 89 -3.651 9.410 7.552 1.00 0.00 H new ATOM 0 HB3 HIS A 89 -1.949 9.178 7.202 1.00 0.00 H new ATOM 0 HD1 HIS A 89 -0.727 11.359 7.455 1.00 0.00 H new ATOM 0 HD2 HIS A 89 -4.543 11.826 5.790 1.00 0.00 H new ATOM 0 HE1 HIS A 89 -1.033 13.845 6.968 1.00 0.00 H new ATOM 1312 N GLY A 90 -3.065 6.566 6.125 1.00 0.00 N ATOM 1313 CA GLY A 90 -2.470 5.242 6.116 1.00 0.00 C ATOM 1314 C GLY A 90 -2.842 4.448 4.880 1.00 0.00 C ATOM 1315 O GLY A 90 -3.955 4.569 4.368 1.00 0.00 O ATOM 0 H GLY A 90 -3.902 6.656 6.701 1.00 0.00 H new ATOM 0 HA2 GLY A 90 -1.385 5.334 6.172 1.00 0.00 H new ATOM 0 HA3 GLY A 90 -2.790 4.697 7.004 1.00 0.00 H new ATOM 1319 N ILE A 91 -1.908 3.634 4.399 1.00 0.00 N ATOM 1320 CA ILE A 91 -2.143 2.816 3.214 1.00 0.00 C ATOM 1321 C ILE A 91 -1.465 1.456 3.343 1.00 0.00 C ATOM 1322 O ILE A 91 -0.259 1.371 3.577 1.00 0.00 O ATOM 1323 CB ILE A 91 -1.636 3.519 1.939 1.00 0.00 C ATOM 1324 CG1 ILE A 91 -1.988 2.695 0.698 1.00 0.00 C ATOM 1325 CG2 ILE A 91 -0.134 3.752 2.018 1.00 0.00 C ATOM 1326 CD1 ILE A 91 -1.776 3.440 -0.602 1.00 0.00 C ATOM 0 H ILE A 91 -0.982 3.523 4.811 1.00 0.00 H new ATOM 0 HA ILE A 91 -3.220 2.672 3.134 1.00 0.00 H new ATOM 0 HB ILE A 91 -2.129 4.488 1.861 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -1.383 1.788 0.690 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -3.030 2.383 0.763 1.00 0.00 H new ATOM 0 HG21 ILE A 91 0.205 4.249 1.109 1.00 0.00 H new ATOM 0 HG22 ILE A 91 0.092 4.379 2.881 1.00 0.00 H new ATOM 0 HG23 ILE A 91 0.378 2.795 2.121 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -2.045 2.796 -1.439 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -2.401 4.333 -0.616 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -0.729 3.729 -0.689 1.00 0.00 H new ATOM 1338 N PHE A 92 -2.249 0.394 3.189 1.00 0.00 N ATOM 1339 CA PHE A 92 -1.725 -0.964 3.288 1.00 0.00 C ATOM 1340 C PHE A 92 -1.064 -1.388 1.980 1.00 0.00 C ATOM 1341 O PHE A 92 -1.718 -1.472 0.940 1.00 0.00 O ATOM 1342 CB PHE A 92 -2.846 -1.941 3.646 1.00 0.00 C ATOM 1343 CG PHE A 92 -3.478 -1.668 4.981 1.00 0.00 C ATOM 1344 CD1 PHE A 92 -4.435 -0.677 5.120 1.00 0.00 C ATOM 1345 CD2 PHE A 92 -3.112 -2.403 6.098 1.00 0.00 C ATOM 1346 CE1 PHE A 92 -5.017 -0.422 6.348 1.00 0.00 C ATOM 1347 CE2 PHE A 92 -3.690 -2.154 7.328 1.00 0.00 C ATOM 1348 CZ PHE A 92 -4.644 -1.163 7.453 1.00 0.00 C ATOM 0 H PHE A 92 -3.249 0.447 2.995 1.00 0.00 H new ATOM 0 HA PHE A 92 -0.973 -0.980 4.077 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -3.614 -1.898 2.874 1.00 0.00 H new ATOM 0 HB3 PHE A 92 -2.447 -2.955 3.643 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -4.730 -0.096 4.259 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -2.367 -3.179 6.006 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -5.761 0.355 6.443 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -3.396 -2.734 8.191 1.00 0.00 H new ATOM 0 HZ PHE A 92 -5.098 -0.968 8.413 1.00 0.00 H new ATOM 1358 N ALA A 93 0.236 -1.656 2.041 1.00 0.00 N ATOM 1359 CA ALA A 93 0.987 -2.073 0.862 1.00 0.00 C ATOM 1360 C ALA A 93 1.739 -3.376 1.123 1.00 0.00 C ATOM 1361 O ALA A 93 2.232 -3.606 2.227 1.00 0.00 O ATOM 1362 CB ALA A 93 1.955 -0.979 0.440 1.00 0.00 C ATOM 0 H ALA A 93 0.792 -1.592 2.894 1.00 0.00 H new ATOM 0 HA ALA A 93 0.278 -2.248 0.053 1.00 0.00 H new ATOM 0 HB1 ALA A 93 2.509 -1.303 -0.441 1.00 0.00 H new ATOM 0 HB2 ALA A 93 1.399 -0.072 0.205 1.00 0.00 H new ATOM 0 HB3 ALA A 93 2.652 -0.777 1.253 1.00 0.00 H new ATOM 1368 N PRO A 94 1.837 -4.252 0.106 1.00 0.00 N ATOM 1369 CA PRO A 94 2.536 -5.536 0.238 1.00 0.00 C ATOM 1370 C PRO A 94 3.966 -5.367 0.742 1.00 0.00 C ATOM 1371 O PRO A 94 4.535 -4.277 0.666 1.00 0.00 O ATOM 1372 CB PRO A 94 2.535 -6.094 -1.188 1.00 0.00 C ATOM 1373 CG PRO A 94 1.380 -5.431 -1.857 1.00 0.00 C ATOM 1374 CD PRO A 94 1.279 -4.062 -1.245 1.00 0.00 C ATOM 0 HA PRO A 94 2.052 -6.189 0.964 1.00 0.00 H new ATOM 0 HB2 PRO A 94 3.470 -5.870 -1.701 1.00 0.00 H new ATOM 0 HB3 PRO A 94 2.423 -7.178 -1.188 1.00 0.00 H new ATOM 0 HG2 PRO A 94 1.537 -5.367 -2.934 1.00 0.00 H new ATOM 0 HG3 PRO A 94 0.461 -5.997 -1.702 1.00 0.00 H new ATOM 0 HD2 PRO A 94 1.845 -3.324 -1.814 1.00 0.00 H new ATOM 0 HD3 PRO A 94 0.247 -3.713 -1.208 1.00 0.00 H new ATOM 1382 N PRO A 95 4.569 -6.448 1.265 1.00 0.00 N ATOM 1383 CA PRO A 95 5.942 -6.413 1.782 1.00 0.00 C ATOM 1384 C PRO A 95 6.961 -6.118 0.687 1.00 0.00 C ATOM 1385 O PRO A 95 7.992 -5.492 0.937 1.00 0.00 O ATOM 1386 CB PRO A 95 6.154 -7.822 2.345 1.00 0.00 C ATOM 1387 CG PRO A 95 5.150 -8.672 1.647 1.00 0.00 C ATOM 1388 CD PRO A 95 3.965 -7.785 1.393 1.00 0.00 C ATOM 0 HA PRO A 95 6.078 -5.624 2.522 1.00 0.00 H new ATOM 0 HB2 PRO A 95 7.168 -8.174 2.156 1.00 0.00 H new ATOM 0 HB3 PRO A 95 6.005 -7.842 3.425 1.00 0.00 H new ATOM 0 HG2 PRO A 95 5.552 -9.064 0.713 1.00 0.00 H new ATOM 0 HG3 PRO A 95 4.872 -9.530 2.259 1.00 0.00 H new ATOM 0 HD2 PRO A 95 3.432 -8.075 0.488 1.00 0.00 H new ATOM 0 HD3 PRO A 95 3.248 -7.826 2.213 1.00 0.00 H new ATOM 1396 N GLN A 96 6.665 -6.571 -0.526 1.00 0.00 N ATOM 1397 CA GLN A 96 7.555 -6.354 -1.661 1.00 0.00 C ATOM 1398 C GLN A 96 7.714 -4.864 -1.953 1.00 0.00 C ATOM 1399 O GLN A 96 8.733 -4.433 -2.490 1.00 0.00 O ATOM 1400 CB GLN A 96 7.022 -7.075 -2.900 1.00 0.00 C ATOM 1401 CG GLN A 96 5.531 -6.880 -3.124 1.00 0.00 C ATOM 1402 CD GLN A 96 5.166 -6.809 -4.594 1.00 0.00 C ATOM 1403 OE1 GLN A 96 5.761 -7.493 -5.427 1.00 0.00 O ATOM 1404 NE2 GLN A 96 4.183 -5.979 -4.920 1.00 0.00 N ATOM 0 H GLN A 96 5.816 -7.091 -0.749 1.00 0.00 H new ATOM 0 HA GLN A 96 8.533 -6.761 -1.405 1.00 0.00 H new ATOM 0 HB2 GLN A 96 7.562 -6.719 -3.777 1.00 0.00 H new ATOM 0 HB3 GLN A 96 7.231 -8.141 -2.808 1.00 0.00 H new ATOM 0 HG2 GLN A 96 4.987 -7.701 -2.658 1.00 0.00 H new ATOM 0 HG3 GLN A 96 5.210 -5.963 -2.629 1.00 0.00 H new ATOM 0 HE21 GLN A 96 3.717 -5.431 -4.197 1.00 0.00 H new ATOM 0 HE22 GLN A 96 3.893 -5.889 -5.894 1.00 0.00 H new ATOM 1413 N LYS A 97 6.699 -4.083 -1.594 1.00 0.00 N ATOM 1414 CA LYS A 97 6.728 -2.642 -1.818 1.00 0.00 C ATOM 1415 C LYS A 97 7.149 -1.902 -0.552 1.00 0.00 C ATOM 1416 O LYS A 97 6.715 -0.778 -0.305 1.00 0.00 O ATOM 1417 CB LYS A 97 5.355 -2.148 -2.277 1.00 0.00 C ATOM 1418 CG LYS A 97 4.724 -3.015 -3.354 1.00 0.00 C ATOM 1419 CD LYS A 97 5.352 -2.760 -4.716 1.00 0.00 C ATOM 1420 CE LYS A 97 4.295 -2.604 -5.797 1.00 0.00 C ATOM 1421 NZ LYS A 97 4.891 -2.610 -7.161 1.00 0.00 N ATOM 0 H LYS A 97 5.848 -4.424 -1.147 1.00 0.00 H new ATOM 0 HA LYS A 97 7.461 -2.436 -2.598 1.00 0.00 H new ATOM 0 HB2 LYS A 97 4.687 -2.108 -1.417 1.00 0.00 H new ATOM 0 HB3 LYS A 97 5.452 -1.130 -2.653 1.00 0.00 H new ATOM 0 HG2 LYS A 97 4.840 -4.066 -3.090 1.00 0.00 H new ATOM 0 HG3 LYS A 97 3.654 -2.815 -3.403 1.00 0.00 H new ATOM 0 HD2 LYS A 97 5.965 -1.860 -4.672 1.00 0.00 H new ATOM 0 HD3 LYS A 97 6.016 -3.586 -4.972 1.00 0.00 H new ATOM 0 HE2 LYS A 97 3.569 -3.413 -5.714 1.00 0.00 H new ATOM 0 HE3 LYS A 97 3.752 -1.672 -5.642 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 4.138 -2.501 -7.870 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 5.565 -1.823 -7.249 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 5.388 -3.510 -7.319 1.00 0.00 H new ATOM 1435 N ILE A 98 7.998 -2.540 0.247 1.00 0.00 N ATOM 1436 CA ILE A 98 8.477 -1.943 1.488 1.00 0.00 C ATOM 1437 C ILE A 98 9.989 -1.749 1.456 1.00 0.00 C ATOM 1438 O ILE A 98 10.751 -2.708 1.583 1.00 0.00 O ATOM 1439 CB ILE A 98 8.108 -2.807 2.708 1.00 0.00 C ATOM 1440 CG1 ILE A 98 6.630 -3.198 2.656 1.00 0.00 C ATOM 1441 CG2 ILE A 98 8.420 -2.065 3.999 1.00 0.00 C ATOM 1442 CD1 ILE A 98 5.689 -2.015 2.717 1.00 0.00 C ATOM 0 H ILE A 98 8.369 -3.471 0.057 1.00 0.00 H new ATOM 0 HA ILE A 98 7.990 -0.972 1.580 1.00 0.00 H new ATOM 0 HB ILE A 98 8.707 -3.718 2.682 1.00 0.00 H new ATOM 0 HG12 ILE A 98 6.442 -3.754 1.738 1.00 0.00 H new ATOM 0 HG13 ILE A 98 6.411 -3.869 3.486 1.00 0.00 H new ATOM 0 HG21 ILE A 98 8.153 -2.690 4.851 1.00 0.00 H new ATOM 0 HG22 ILE A 98 9.484 -1.834 4.038 1.00 0.00 H new ATOM 0 HG23 ILE A 98 7.846 -1.139 4.034 1.00 0.00 H new ATOM 0 HD11 ILE A 98 4.658 -2.367 2.675 1.00 0.00 H new ATOM 0 HD12 ILE A 98 5.849 -1.470 3.648 1.00 0.00 H new ATOM 0 HD13 ILE A 98 5.881 -1.354 1.872 1.00 0.00 H new ATOM 1454 N SER A 99 10.417 -0.504 1.284 1.00 0.00 N ATOM 1455 CA SER A 99 11.840 -0.183 1.235 1.00 0.00 C ATOM 1456 C SER A 99 12.197 0.867 2.281 1.00 0.00 C ATOM 1457 O SER A 99 11.318 1.444 2.920 1.00 0.00 O ATOM 1458 CB SER A 99 12.222 0.319 -0.159 1.00 0.00 C ATOM 1459 OG SER A 99 11.725 -0.545 -1.167 1.00 0.00 O ATOM 0 H SER A 99 9.800 0.301 1.176 1.00 0.00 H new ATOM 0 HA SER A 99 12.400 -1.092 1.453 1.00 0.00 H new ATOM 0 HB2 SER A 99 11.825 1.323 -0.309 1.00 0.00 H new ATOM 0 HB3 SER A 99 13.307 0.390 -0.239 1.00 0.00 H new ATOM 0 HG SER A 99 11.981 -0.201 -2.048 1.00 0.00 H new ATOM 1465 N HIS A 100 13.493 1.108 2.452 1.00 0.00 N ATOM 1466 CA HIS A 100 13.967 2.088 3.421 1.00 0.00 C ATOM 1467 C HIS A 100 14.214 3.438 2.755 1.00 0.00 C ATOM 1468 O HIS A 100 14.803 3.509 1.676 1.00 0.00 O ATOM 1469 CB HIS A 100 15.250 1.595 4.092 1.00 0.00 C ATOM 1470 CG HIS A 100 15.014 0.551 5.140 1.00 0.00 C ATOM 1471 ND1 HIS A 100 14.887 -0.793 4.870 1.00 0.00 N ATOM 1472 CD2 HIS A 100 14.884 0.677 6.486 1.00 0.00 C ATOM 1473 CE1 HIS A 100 14.686 -1.429 6.033 1.00 0.00 C ATOM 1474 NE2 HIS A 100 14.676 -0.582 7.043 1.00 0.00 N ATOM 0 H HIS A 100 14.233 0.638 1.932 1.00 0.00 H new ATOM 0 HA HIS A 100 13.194 2.214 4.179 1.00 0.00 H new ATOM 0 HB2 HIS A 100 15.916 1.190 3.330 1.00 0.00 H new ATOM 0 HB3 HIS A 100 15.763 2.444 4.545 1.00 0.00 H new ATOM 0 HD2 HIS A 100 14.934 1.605 7.036 1.00 0.00 H new ATOM 0 HE1 HIS A 100 14.550 -2.496 6.130 1.00 0.00 H new ATOM 0 HE2 HIS A 100 14.543 -0.803 8.030 1.00 0.00 H new ATOM 1482 N ILE A 101 13.760 4.505 3.403 1.00 0.00 N ATOM 1483 CA ILE A 101 13.932 5.852 2.872 1.00 0.00 C ATOM 1484 C ILE A 101 15.372 6.332 3.046 1.00 0.00 C ATOM 1485 O ILE A 101 15.899 6.340 4.158 1.00 0.00 O ATOM 1486 CB ILE A 101 12.983 6.851 3.562 1.00 0.00 C ATOM 1487 CG1 ILE A 101 11.557 6.299 3.590 1.00 0.00 C ATOM 1488 CG2 ILE A 101 13.023 8.196 2.851 1.00 0.00 C ATOM 1489 CD1 ILE A 101 10.567 7.216 4.275 1.00 0.00 C ATOM 0 H ILE A 101 13.270 4.463 4.297 1.00 0.00 H new ATOM 0 HA ILE A 101 13.692 5.808 1.810 1.00 0.00 H new ATOM 0 HB ILE A 101 13.316 6.995 4.590 1.00 0.00 H new ATOM 0 HG12 ILE A 101 11.226 6.119 2.567 1.00 0.00 H new ATOM 0 HG13 ILE A 101 11.559 5.335 4.099 1.00 0.00 H new ATOM 0 HG21 ILE A 101 12.348 8.891 3.350 1.00 0.00 H new ATOM 0 HG22 ILE A 101 14.038 8.592 2.879 1.00 0.00 H new ATOM 0 HG23 ILE A 101 12.712 8.069 1.814 1.00 0.00 H new ATOM 0 HD11 ILE A 101 9.577 6.761 4.257 1.00 0.00 H new ATOM 0 HD12 ILE A 101 10.874 7.376 5.308 1.00 0.00 H new ATOM 0 HD13 ILE A 101 10.536 8.172 3.753 1.00 0.00 H new ATOM 1501 N PRO A 102 16.033 6.741 1.946 1.00 0.00 N ATOM 1502 CA PRO A 102 17.418 7.222 1.995 1.00 0.00 C ATOM 1503 C PRO A 102 17.605 8.348 3.007 1.00 0.00 C ATOM 1504 O PRO A 102 16.662 9.071 3.327 1.00 0.00 O ATOM 1505 CB PRO A 102 17.670 7.735 0.575 1.00 0.00 C ATOM 1506 CG PRO A 102 16.705 6.988 -0.277 1.00 0.00 C ATOM 1507 CD PRO A 102 15.487 6.767 0.576 1.00 0.00 C ATOM 0 HA PRO A 102 18.108 6.439 2.308 1.00 0.00 H new ATOM 0 HB2 PRO A 102 17.506 8.811 0.508 1.00 0.00 H new ATOM 0 HB3 PRO A 102 18.698 7.549 0.264 1.00 0.00 H new ATOM 0 HG2 PRO A 102 16.456 7.555 -1.174 1.00 0.00 H new ATOM 0 HG3 PRO A 102 17.128 6.039 -0.607 1.00 0.00 H new ATOM 0 HD2 PRO A 102 14.757 7.566 0.449 1.00 0.00 H new ATOM 0 HD3 PRO A 102 14.984 5.833 0.325 1.00 0.00 H new