USER MOD reduce.3.24.130724 H: found=0, std=0, add=566, rem=0, adj=12 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 74 ASN : amide:sc= -0.0177 X(o=-0.018,f=-0.23) USER MOD Set 1.2: A 76 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 72 ASN :FLIP amide:sc= -0.552 F(o=-1.6,f=-1.1) USER MOD Set 2.2: A 73 ASN :FLIP amide:sc= -0.568 F(o=-3.3,f=-1.1) USER MOD Single : A 33 HIS : no HD1:sc= -0.319 X(o=-0.32,f=-0.0071) USER MOD Single : A 42 ASN :FLIP amide:sc= 0 F(o=-0.83,f=0) USER MOD Single : A 44 GLN :FLIP amide:sc= -0.654 F(o=-1.5,f=-0.65) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 THR OG1 : rot 9:sc= 1.07 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 TYR OH : rot 180:sc= -0.131 USER MOD Single : A 85 CYS SG : rot -113:sc= 0.242 USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 HIS : no HE2:sc= -4.14! C(o=-4.1!,f=-8.5!) USER MOD Single : A 96 GLN : amide:sc= -0.136 K(o=-0.14,f=-0.75) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD Single : A 100 HIS : no HD1:sc= 0 X(o=0,f=-0.034) USER MOD ----------------------------------------------------------------- ATOM 367 N LEU A 29 8.199 -9.497 6.078 1.00 0.00 N ATOM 368 CA LEU A 29 8.570 -8.264 6.761 1.00 0.00 C ATOM 369 C LEU A 29 9.082 -8.556 8.169 1.00 0.00 C ATOM 370 O LEU A 29 8.547 -8.048 9.155 1.00 0.00 O ATOM 371 CB LEU A 29 7.373 -7.312 6.824 1.00 0.00 C ATOM 372 CG LEU A 29 7.229 -6.376 5.623 1.00 0.00 C ATOM 373 CD1 LEU A 29 5.809 -5.837 5.532 1.00 0.00 C ATOM 374 CD2 LEU A 29 8.229 -5.234 5.714 1.00 0.00 C ATOM 0 HA LEU A 29 9.372 -7.789 6.195 1.00 0.00 H new ATOM 0 HB2 LEU A 29 6.462 -7.903 6.916 1.00 0.00 H new ATOM 0 HB3 LEU A 29 7.455 -6.709 7.728 1.00 0.00 H new ATOM 0 HG LEU A 29 7.438 -6.945 4.717 1.00 0.00 H new ATOM 0 HD11 LEU A 29 5.726 -5.173 4.671 1.00 0.00 H new ATOM 0 HD12 LEU A 29 5.111 -6.667 5.419 1.00 0.00 H new ATOM 0 HD13 LEU A 29 5.571 -5.284 6.441 1.00 0.00 H new ATOM 0 HD21 LEU A 29 8.112 -4.578 4.851 1.00 0.00 H new ATOM 0 HD22 LEU A 29 8.051 -4.667 6.628 1.00 0.00 H new ATOM 0 HD23 LEU A 29 9.242 -5.637 5.728 1.00 0.00 H new ATOM 386 N PHE A 30 10.123 -9.378 8.253 1.00 0.00 N ATOM 387 CA PHE A 30 10.710 -9.739 9.539 1.00 0.00 C ATOM 388 C PHE A 30 11.820 -8.765 9.923 1.00 0.00 C ATOM 389 O PHE A 30 12.078 -8.540 11.105 1.00 0.00 O ATOM 390 CB PHE A 30 11.264 -11.165 9.485 1.00 0.00 C ATOM 391 CG PHE A 30 11.601 -11.730 10.835 1.00 0.00 C ATOM 392 CD1 PHE A 30 10.660 -11.738 11.853 1.00 0.00 C ATOM 393 CD2 PHE A 30 12.858 -12.254 11.087 1.00 0.00 C ATOM 394 CE1 PHE A 30 10.967 -12.259 13.096 1.00 0.00 C ATOM 395 CE2 PHE A 30 13.172 -12.775 12.328 1.00 0.00 C ATOM 396 CZ PHE A 30 12.224 -12.778 13.334 1.00 0.00 C ATOM 0 H PHE A 30 10.577 -9.807 7.447 1.00 0.00 H new ATOM 0 HA PHE A 30 9.928 -9.687 10.296 1.00 0.00 H new ATOM 0 HB2 PHE A 30 10.532 -11.812 9.002 1.00 0.00 H new ATOM 0 HB3 PHE A 30 12.159 -11.175 8.862 1.00 0.00 H new ATOM 0 HD1 PHE A 30 9.675 -11.332 11.673 1.00 0.00 H new ATOM 0 HD2 PHE A 30 13.602 -12.256 10.304 1.00 0.00 H new ATOM 0 HE1 PHE A 30 10.224 -12.260 13.880 1.00 0.00 H new ATOM 0 HE2 PHE A 30 14.157 -13.179 12.511 1.00 0.00 H new ATOM 0 HZ PHE A 30 12.466 -13.186 14.304 1.00 0.00 H new ATOM 406 N ASP A 31 12.471 -8.189 8.917 1.00 0.00 N ATOM 407 CA ASP A 31 13.551 -7.238 9.151 1.00 0.00 C ATOM 408 C ASP A 31 13.041 -5.802 9.074 1.00 0.00 C ATOM 409 O ASP A 31 13.727 -4.914 8.570 1.00 0.00 O ATOM 410 CB ASP A 31 14.672 -7.448 8.130 1.00 0.00 C ATOM 411 CG ASP A 31 14.194 -7.273 6.703 1.00 0.00 C ATOM 412 OD1 ASP A 31 13.069 -7.723 6.394 1.00 0.00 O ATOM 413 OD2 ASP A 31 14.944 -6.689 5.893 1.00 0.00 O ATOM 0 H ASP A 31 12.269 -8.364 7.933 1.00 0.00 H new ATOM 0 HA ASP A 31 13.942 -7.411 10.153 1.00 0.00 H new ATOM 0 HB2 ASP A 31 15.478 -6.742 8.329 1.00 0.00 H new ATOM 0 HB3 ASP A 31 15.087 -8.449 8.251 1.00 0.00 H new ATOM 418 N PHE A 32 11.831 -5.582 9.578 1.00 0.00 N ATOM 419 CA PHE A 32 11.227 -4.255 9.567 1.00 0.00 C ATOM 420 C PHE A 32 10.537 -3.962 10.896 1.00 0.00 C ATOM 421 O PHE A 32 9.514 -4.565 11.222 1.00 0.00 O ATOM 422 CB PHE A 32 10.223 -4.138 8.420 1.00 0.00 C ATOM 423 CG PHE A 32 10.808 -3.554 7.166 1.00 0.00 C ATOM 424 CD1 PHE A 32 10.788 -2.185 6.950 1.00 0.00 C ATOM 425 CD2 PHE A 32 11.378 -4.372 6.205 1.00 0.00 C ATOM 426 CE1 PHE A 32 11.326 -1.643 5.797 1.00 0.00 C ATOM 427 CE2 PHE A 32 11.917 -3.837 5.050 1.00 0.00 C ATOM 428 CZ PHE A 32 11.891 -2.470 4.846 1.00 0.00 C ATOM 0 H PHE A 32 11.249 -6.306 9.999 1.00 0.00 H new ATOM 0 HA PHE A 32 12.020 -3.522 9.420 1.00 0.00 H new ATOM 0 HB2 PHE A 32 9.821 -5.127 8.197 1.00 0.00 H new ATOM 0 HB3 PHE A 32 9.386 -3.519 8.743 1.00 0.00 H new ATOM 0 HD1 PHE A 32 10.347 -1.534 7.691 1.00 0.00 H new ATOM 0 HD2 PHE A 32 11.402 -5.441 6.360 1.00 0.00 H new ATOM 0 HE1 PHE A 32 11.304 -0.575 5.640 1.00 0.00 H new ATOM 0 HE2 PHE A 32 12.358 -4.486 4.308 1.00 0.00 H new ATOM 0 HZ PHE A 32 12.312 -2.049 3.945 1.00 0.00 H new ATOM 438 N HIS A 33 11.103 -3.033 11.659 1.00 0.00 N ATOM 439 CA HIS A 33 10.542 -2.659 12.953 1.00 0.00 C ATOM 440 C HIS A 33 9.488 -1.568 12.795 1.00 0.00 C ATOM 441 O HIS A 33 9.461 -0.859 11.789 1.00 0.00 O ATOM 442 CB HIS A 33 11.649 -2.184 13.894 1.00 0.00 C ATOM 443 CG HIS A 33 12.661 -3.241 14.212 1.00 0.00 C ATOM 444 ND1 HIS A 33 12.928 -3.689 15.485 1.00 0.00 N ATOM 445 CD2 HIS A 33 13.476 -3.946 13.387 1.00 0.00 C ATOM 446 CE1 HIS A 33 13.878 -4.630 15.399 1.00 0.00 C ATOM 447 NE2 HIS A 33 14.244 -4.825 14.147 1.00 0.00 N ATOM 0 H HIS A 33 11.950 -2.525 11.404 1.00 0.00 H new ATOM 0 HA HIS A 33 10.064 -3.540 13.382 1.00 0.00 H new ATOM 0 HB2 HIS A 33 12.156 -1.331 13.443 1.00 0.00 H new ATOM 0 HB3 HIS A 33 11.199 -1.833 14.823 1.00 0.00 H new ATOM 0 HD2 HIS A 33 13.522 -3.842 12.313 1.00 0.00 H new ATOM 0 HE1 HIS A 33 14.290 -5.160 16.245 1.00 0.00 H new ATOM 0 HE2 HIS A 33 14.945 -5.483 13.806 1.00 0.00 H new ATOM 455 N ILE A 34 8.622 -1.440 13.796 1.00 0.00 N ATOM 456 CA ILE A 34 7.567 -0.435 13.768 1.00 0.00 C ATOM 457 C ILE A 34 8.076 0.911 14.272 1.00 0.00 C ATOM 458 O ILE A 34 8.682 0.996 15.339 1.00 0.00 O ATOM 459 CB ILE A 34 6.358 -0.865 14.621 1.00 0.00 C ATOM 460 CG1 ILE A 34 5.948 -2.299 14.278 1.00 0.00 C ATOM 461 CG2 ILE A 34 5.193 0.091 14.409 1.00 0.00 C ATOM 462 CD1 ILE A 34 5.598 -2.494 12.819 1.00 0.00 C ATOM 0 H ILE A 34 8.631 -2.020 14.635 1.00 0.00 H new ATOM 0 HA ILE A 34 7.253 -0.336 12.729 1.00 0.00 H new ATOM 0 HB ILE A 34 6.643 -0.831 15.672 1.00 0.00 H new ATOM 0 HG12 ILE A 34 6.762 -2.974 14.542 1.00 0.00 H new ATOM 0 HG13 ILE A 34 5.091 -2.580 14.890 1.00 0.00 H new ATOM 0 HG21 ILE A 34 4.347 -0.226 15.018 1.00 0.00 H new ATOM 0 HG22 ILE A 34 5.492 1.098 14.699 1.00 0.00 H new ATOM 0 HG23 ILE A 34 4.905 0.086 13.358 1.00 0.00 H new ATOM 0 HD11 ILE A 34 5.317 -3.533 12.648 1.00 0.00 H new ATOM 0 HD12 ILE A 34 4.764 -1.844 12.555 1.00 0.00 H new ATOM 0 HD13 ILE A 34 6.461 -2.245 12.201 1.00 0.00 H new ATOM 474 N GLY A 35 7.825 1.960 13.496 1.00 0.00 N ATOM 475 CA GLY A 35 8.265 3.288 13.882 1.00 0.00 C ATOM 476 C GLY A 35 9.493 3.736 13.115 1.00 0.00 C ATOM 477 O GLY A 35 10.293 4.528 13.617 1.00 0.00 O ATOM 0 H GLY A 35 7.325 1.915 12.608 1.00 0.00 H new ATOM 0 HA2 GLY A 35 7.456 3.999 13.714 1.00 0.00 H new ATOM 0 HA3 GLY A 35 8.483 3.299 14.950 1.00 0.00 H new ATOM 481 N ASP A 36 9.645 3.231 11.896 1.00 0.00 N ATOM 482 CA ASP A 36 10.786 3.584 11.057 1.00 0.00 C ATOM 483 C ASP A 36 10.323 4.207 9.744 1.00 0.00 C ATOM 484 O ASP A 36 9.150 4.115 9.382 1.00 0.00 O ATOM 485 CB ASP A 36 11.641 2.346 10.777 1.00 0.00 C ATOM 486 CG ASP A 36 13.124 2.620 10.937 1.00 0.00 C ATOM 487 OD1 ASP A 36 13.655 3.468 10.188 1.00 0.00 O ATOM 488 OD2 ASP A 36 13.753 1.989 11.811 1.00 0.00 O ATOM 0 H ASP A 36 8.993 2.575 11.466 1.00 0.00 H new ATOM 0 HA ASP A 36 11.388 4.318 11.593 1.00 0.00 H new ATOM 0 HB2 ASP A 36 11.347 1.544 11.454 1.00 0.00 H new ATOM 0 HB3 ASP A 36 11.446 1.995 9.764 1.00 0.00 H new ATOM 493 N ARG A 37 11.253 4.839 9.036 1.00 0.00 N ATOM 494 CA ARG A 37 10.939 5.477 7.762 1.00 0.00 C ATOM 495 C ARG A 37 11.056 4.482 6.612 1.00 0.00 C ATOM 496 O ARG A 37 12.125 3.923 6.369 1.00 0.00 O ATOM 497 CB ARG A 37 11.872 6.666 7.522 1.00 0.00 C ATOM 498 CG ARG A 37 11.507 7.898 8.336 1.00 0.00 C ATOM 499 CD ARG A 37 12.646 8.327 9.248 1.00 0.00 C ATOM 500 NE ARG A 37 12.174 8.672 10.587 1.00 0.00 N ATOM 501 CZ ARG A 37 12.968 8.768 11.651 1.00 0.00 C ATOM 502 NH1 ARG A 37 14.273 8.549 11.536 1.00 0.00 N ATOM 503 NH2 ARG A 37 12.458 9.086 12.833 1.00 0.00 N ATOM 0 H ARG A 37 12.229 4.923 9.322 1.00 0.00 H new ATOM 0 HA ARG A 37 9.910 5.834 7.805 1.00 0.00 H new ATOM 0 HB2 ARG A 37 12.893 6.371 7.763 1.00 0.00 H new ATOM 0 HB3 ARG A 37 11.856 6.922 6.463 1.00 0.00 H new ATOM 0 HG2 ARG A 37 11.252 8.716 7.663 1.00 0.00 H new ATOM 0 HG3 ARG A 37 10.620 7.689 8.935 1.00 0.00 H new ATOM 0 HD2 ARG A 37 13.378 7.522 9.318 1.00 0.00 H new ATOM 0 HD3 ARG A 37 13.157 9.185 8.811 1.00 0.00 H new ATOM 0 HE ARG A 37 11.178 8.850 10.714 1.00 0.00 H new ATOM 0 HH11 ARG A 37 14.671 8.306 10.629 1.00 0.00 H new ATOM 0 HH12 ARG A 37 14.877 8.624 12.355 1.00 0.00 H new ATOM 0 HH21 ARG A 37 11.457 9.257 12.927 1.00 0.00 H new ATOM 0 HH22 ARG A 37 13.067 9.159 13.648 1.00 0.00 H new ATOM 517 N VAL A 38 9.951 4.269 5.907 1.00 0.00 N ATOM 518 CA VAL A 38 9.928 3.342 4.781 1.00 0.00 C ATOM 519 C VAL A 38 9.426 4.026 3.515 1.00 0.00 C ATOM 520 O VAL A 38 8.748 5.052 3.579 1.00 0.00 O ATOM 521 CB VAL A 38 9.039 2.120 5.077 1.00 0.00 C ATOM 522 CG1 VAL A 38 9.622 1.295 6.214 1.00 0.00 C ATOM 523 CG2 VAL A 38 7.618 2.559 5.402 1.00 0.00 C ATOM 0 H VAL A 38 9.059 4.726 6.095 1.00 0.00 H new ATOM 0 HA VAL A 38 10.954 3.007 4.627 1.00 0.00 H new ATOM 0 HB VAL A 38 9.007 1.494 4.185 1.00 0.00 H new ATOM 0 HG11 VAL A 38 8.979 0.436 6.407 1.00 0.00 H new ATOM 0 HG12 VAL A 38 10.618 0.948 5.938 1.00 0.00 H new ATOM 0 HG13 VAL A 38 9.688 1.909 7.112 1.00 0.00 H new ATOM 0 HG21 VAL A 38 7.004 1.682 5.608 1.00 0.00 H new ATOM 0 HG22 VAL A 38 7.629 3.208 6.277 1.00 0.00 H new ATOM 0 HG23 VAL A 38 7.202 3.101 4.553 1.00 0.00 H new ATOM 533 N LEU A 39 9.763 3.451 2.365 1.00 0.00 N ATOM 534 CA LEU A 39 9.346 4.005 1.082 1.00 0.00 C ATOM 535 C LEU A 39 8.528 2.988 0.293 1.00 0.00 C ATOM 536 O LEU A 39 9.015 1.909 -0.042 1.00 0.00 O ATOM 537 CB LEU A 39 10.568 4.437 0.268 1.00 0.00 C ATOM 538 CG LEU A 39 10.333 5.620 -0.673 1.00 0.00 C ATOM 539 CD1 LEU A 39 9.816 6.826 0.100 1.00 0.00 C ATOM 540 CD2 LEU A 39 11.614 5.967 -1.417 1.00 0.00 C ATOM 0 H LEU A 39 10.324 2.602 2.295 1.00 0.00 H new ATOM 0 HA LEU A 39 8.721 4.877 1.275 1.00 0.00 H new ATOM 0 HB2 LEU A 39 11.372 4.695 0.957 1.00 0.00 H new ATOM 0 HB3 LEU A 39 10.913 3.587 -0.321 1.00 0.00 H new ATOM 0 HG LEU A 39 9.576 5.335 -1.404 1.00 0.00 H new ATOM 0 HD11 LEU A 39 9.655 7.657 -0.587 1.00 0.00 H new ATOM 0 HD12 LEU A 39 8.875 6.570 0.587 1.00 0.00 H new ATOM 0 HD13 LEU A 39 10.548 7.115 0.854 1.00 0.00 H new ATOM 0 HD21 LEU A 39 11.431 6.811 -2.083 1.00 0.00 H new ATOM 0 HD22 LEU A 39 12.391 6.232 -0.700 1.00 0.00 H new ATOM 0 HD23 LEU A 39 11.939 5.107 -2.002 1.00 0.00 H new ATOM 552 N ILE A 40 7.280 3.340 -0.002 1.00 0.00 N ATOM 553 CA ILE A 40 6.394 2.458 -0.751 1.00 0.00 C ATOM 554 C ILE A 40 6.603 2.614 -2.253 1.00 0.00 C ATOM 555 O ILE A 40 6.331 3.671 -2.822 1.00 0.00 O ATOM 556 CB ILE A 40 4.916 2.732 -0.418 1.00 0.00 C ATOM 557 CG1 ILE A 40 4.710 2.775 1.097 1.00 0.00 C ATOM 558 CG2 ILE A 40 4.025 1.671 -1.049 1.00 0.00 C ATOM 559 CD1 ILE A 40 3.360 3.321 1.509 1.00 0.00 C ATOM 0 H ILE A 40 6.860 4.230 0.267 1.00 0.00 H new ATOM 0 HA ILE A 40 6.642 1.438 -0.457 1.00 0.00 H new ATOM 0 HB ILE A 40 4.641 3.703 -0.830 1.00 0.00 H new ATOM 0 HG12 ILE A 40 4.824 1.768 1.500 1.00 0.00 H new ATOM 0 HG13 ILE A 40 5.493 3.388 1.545 1.00 0.00 H new ATOM 0 HG21 ILE A 40 2.983 1.878 -0.805 1.00 0.00 H new ATOM 0 HG22 ILE A 40 4.153 1.685 -2.131 1.00 0.00 H new ATOM 0 HG23 ILE A 40 4.300 0.689 -0.664 1.00 0.00 H new ATOM 0 HD11 ILE A 40 3.284 3.322 2.596 1.00 0.00 H new ATOM 0 HD12 ILE A 40 3.250 4.340 1.137 1.00 0.00 H new ATOM 0 HD13 ILE A 40 2.571 2.695 1.091 1.00 0.00 H new ATOM 571 N GLY A 41 7.090 1.554 -2.890 1.00 0.00 N ATOM 572 CA GLY A 41 7.328 1.592 -4.321 1.00 0.00 C ATOM 573 C GLY A 41 8.295 2.689 -4.725 1.00 0.00 C ATOM 574 O GLY A 41 8.316 3.112 -5.880 1.00 0.00 O ATOM 0 H GLY A 41 7.324 0.669 -2.440 1.00 0.00 H new ATOM 0 HA2 GLY A 41 7.722 0.629 -4.645 1.00 0.00 H new ATOM 0 HA3 GLY A 41 6.380 1.740 -4.839 1.00 0.00 H new ATOM 578 N ASN A 42 9.099 3.151 -3.770 1.00 0.00 N ATOM 579 CA ASN A 42 10.074 4.204 -4.035 1.00 0.00 C ATOM 580 C ASN A 42 9.396 5.443 -4.618 1.00 0.00 C ATOM 581 O ASN A 42 9.658 5.828 -5.758 1.00 0.00 O ATOM 582 CB ASN A 42 11.154 3.698 -4.993 1.00 0.00 C ATOM 583 CG ASN A 42 11.969 2.566 -4.399 1.00 0.00 C ATOM 584 OD1 ASN A 42 12.752 2.876 -3.372 1.00 0.00 O flip ATOM 585 ND2 ASN A 42 11.894 1.426 -4.857 1.00 0.00 N flip ATOM 0 H ASN A 42 9.094 2.813 -2.808 1.00 0.00 H new ATOM 0 HA ASN A 42 10.539 4.481 -3.089 1.00 0.00 H new ATOM 0 HB2 ASN A 42 10.686 3.359 -5.917 1.00 0.00 H new ATOM 0 HB3 ASN A 42 11.818 4.522 -5.255 1.00 0.00 H new ATOM 0 HD21 ASN A 42 11.279 1.233 -5.647 1.00 0.00 H new ATOM 0 HD22 ASN A 42 12.447 0.674 -4.446 1.00 0.00 H new ATOM 592 N VAL A 43 8.524 6.061 -3.828 1.00 0.00 N ATOM 593 CA VAL A 43 7.810 7.253 -4.267 1.00 0.00 C ATOM 594 C VAL A 43 6.903 7.791 -3.164 1.00 0.00 C ATOM 595 O VAL A 43 6.773 9.002 -2.990 1.00 0.00 O ATOM 596 CB VAL A 43 6.964 6.970 -5.525 1.00 0.00 C ATOM 597 CG1 VAL A 43 5.911 5.911 -5.238 1.00 0.00 C ATOM 598 CG2 VAL A 43 6.320 8.250 -6.037 1.00 0.00 C ATOM 0 H VAL A 43 8.295 5.756 -2.882 1.00 0.00 H new ATOM 0 HA VAL A 43 8.564 8.002 -4.508 1.00 0.00 H new ATOM 0 HB VAL A 43 7.625 6.588 -6.303 1.00 0.00 H new ATOM 0 HG11 VAL A 43 5.325 5.727 -6.139 1.00 0.00 H new ATOM 0 HG12 VAL A 43 6.399 4.987 -4.927 1.00 0.00 H new ATOM 0 HG13 VAL A 43 5.253 6.259 -4.442 1.00 0.00 H new ATOM 0 HG21 VAL A 43 5.727 8.029 -6.925 1.00 0.00 H new ATOM 0 HG22 VAL A 43 5.674 8.667 -5.264 1.00 0.00 H new ATOM 0 HG23 VAL A 43 7.096 8.972 -6.289 1.00 0.00 H new ATOM 608 N GLN A 44 6.277 6.883 -2.422 1.00 0.00 N ATOM 609 CA GLN A 44 5.382 7.267 -1.337 1.00 0.00 C ATOM 610 C GLN A 44 6.074 7.128 0.018 1.00 0.00 C ATOM 611 O GLN A 44 6.170 6.029 0.563 1.00 0.00 O ATOM 612 CB GLN A 44 4.117 6.407 -1.365 1.00 0.00 C ATOM 613 CG GLN A 44 2.998 6.997 -2.206 1.00 0.00 C ATOM 614 CD GLN A 44 1.623 6.587 -1.716 1.00 0.00 C ATOM 615 OE1 GLN A 44 0.678 7.519 -1.761 1.00 0.00 O flip ATOM 616 NE2 GLN A 44 1.413 5.447 -1.301 1.00 0.00 N flip ATOM 0 H GLN A 44 6.373 5.876 -2.553 1.00 0.00 H new ATOM 0 HA GLN A 44 5.108 8.312 -1.479 1.00 0.00 H new ATOM 0 HB2 GLN A 44 4.368 5.419 -1.751 1.00 0.00 H new ATOM 0 HB3 GLN A 44 3.759 6.269 -0.345 1.00 0.00 H new ATOM 0 HG2 GLN A 44 3.074 8.084 -2.195 1.00 0.00 H new ATOM 0 HG3 GLN A 44 3.120 6.679 -3.242 1.00 0.00 H new ATOM 0 HE21 GLN A 44 2.169 4.763 -1.285 1.00 0.00 H new ATOM 0 HE22 GLN A 44 0.483 5.187 -0.974 1.00 0.00 H new ATOM 625 N PRO A 45 6.567 8.245 0.585 1.00 0.00 N ATOM 626 CA PRO A 45 7.248 8.235 1.882 1.00 0.00 C ATOM 627 C PRO A 45 6.274 8.090 3.046 1.00 0.00 C ATOM 628 O PRO A 45 5.176 8.646 3.022 1.00 0.00 O ATOM 629 CB PRO A 45 7.933 9.601 1.925 1.00 0.00 C ATOM 630 CG PRO A 45 7.065 10.479 1.094 1.00 0.00 C ATOM 631 CD PRO A 45 6.499 9.603 0.009 1.00 0.00 C ATOM 0 HA PRO A 45 7.933 7.393 1.980 1.00 0.00 H new ATOM 0 HB2 PRO A 45 8.012 9.973 2.946 1.00 0.00 H new ATOM 0 HB3 PRO A 45 8.946 9.550 1.525 1.00 0.00 H new ATOM 0 HG2 PRO A 45 6.269 10.920 1.694 1.00 0.00 H new ATOM 0 HG3 PRO A 45 7.638 11.304 0.670 1.00 0.00 H new ATOM 0 HD2 PRO A 45 5.475 9.882 -0.238 1.00 0.00 H new ATOM 0 HD3 PRO A 45 7.080 9.678 -0.910 1.00 0.00 H new ATOM 639 N GLY A 46 6.682 7.340 4.064 1.00 0.00 N ATOM 640 CA GLY A 46 5.831 7.137 5.222 1.00 0.00 C ATOM 641 C GLY A 46 6.509 6.320 6.305 1.00 0.00 C ATOM 642 O GLY A 46 7.650 5.888 6.144 1.00 0.00 O ATOM 0 H GLY A 46 7.586 6.869 4.108 1.00 0.00 H new ATOM 0 HA2 GLY A 46 5.541 8.105 5.630 1.00 0.00 H new ATOM 0 HA3 GLY A 46 4.915 6.634 4.912 1.00 0.00 H new ATOM 646 N ILE A 47 5.803 6.110 7.411 1.00 0.00 N ATOM 647 CA ILE A 47 6.342 5.339 8.527 1.00 0.00 C ATOM 648 C ILE A 47 5.638 3.993 8.653 1.00 0.00 C ATOM 649 O ILE A 47 4.413 3.911 8.570 1.00 0.00 O ATOM 650 CB ILE A 47 6.203 6.104 9.857 1.00 0.00 C ATOM 651 CG1 ILE A 47 6.697 7.543 9.701 1.00 0.00 C ATOM 652 CG2 ILE A 47 6.973 5.391 10.960 1.00 0.00 C ATOM 653 CD1 ILE A 47 6.257 8.459 10.821 1.00 0.00 C ATOM 0 H ILE A 47 4.857 6.462 7.559 1.00 0.00 H new ATOM 0 HA ILE A 47 7.400 5.176 8.319 1.00 0.00 H new ATOM 0 HB ILE A 47 5.149 6.132 10.133 1.00 0.00 H new ATOM 0 HG12 ILE A 47 7.786 7.541 9.651 1.00 0.00 H new ATOM 0 HG13 ILE A 47 6.335 7.942 8.753 1.00 0.00 H new ATOM 0 HG21 ILE A 47 6.866 5.943 11.894 1.00 0.00 H new ATOM 0 HG22 ILE A 47 6.578 4.383 11.087 1.00 0.00 H new ATOM 0 HG23 ILE A 47 8.028 5.336 10.690 1.00 0.00 H new ATOM 0 HD11 ILE A 47 6.644 9.462 10.644 1.00 0.00 H new ATOM 0 HD12 ILE A 47 5.168 8.491 10.858 1.00 0.00 H new ATOM 0 HD13 ILE A 47 6.641 8.084 11.770 1.00 0.00 H new ATOM 665 N LEU A 48 6.421 2.938 8.855 1.00 0.00 N ATOM 666 CA LEU A 48 5.873 1.595 8.993 1.00 0.00 C ATOM 667 C LEU A 48 5.177 1.428 10.341 1.00 0.00 C ATOM 668 O LEU A 48 5.828 1.374 11.385 1.00 0.00 O ATOM 669 CB LEU A 48 6.982 0.551 8.847 1.00 0.00 C ATOM 670 CG LEU A 48 6.511 -0.904 8.883 1.00 0.00 C ATOM 671 CD1 LEU A 48 6.137 -1.380 7.488 1.00 0.00 C ATOM 672 CD2 LEU A 48 7.587 -1.796 9.482 1.00 0.00 C ATOM 0 H LEU A 48 7.437 2.988 8.927 1.00 0.00 H new ATOM 0 HA LEU A 48 5.137 1.447 8.202 1.00 0.00 H new ATOM 0 HB2 LEU A 48 7.502 0.725 7.905 1.00 0.00 H new ATOM 0 HB3 LEU A 48 7.709 0.701 9.645 1.00 0.00 H new ATOM 0 HG LEU A 48 5.624 -0.963 9.514 1.00 0.00 H new ATOM 0 HD11 LEU A 48 5.805 -2.417 7.534 1.00 0.00 H new ATOM 0 HD12 LEU A 48 5.333 -0.758 7.095 1.00 0.00 H new ATOM 0 HD13 LEU A 48 7.005 -1.306 6.833 1.00 0.00 H new ATOM 0 HD21 LEU A 48 7.236 -2.828 9.500 1.00 0.00 H new ATOM 0 HD22 LEU A 48 8.492 -1.731 8.877 1.00 0.00 H new ATOM 0 HD23 LEU A 48 7.806 -1.469 10.499 1.00 0.00 H new ATOM 684 N ARG A 49 3.851 1.348 10.310 1.00 0.00 N ATOM 685 CA ARG A 49 3.066 1.190 11.529 1.00 0.00 C ATOM 686 C ARG A 49 2.695 -0.273 11.755 1.00 0.00 C ATOM 687 O ARG A 49 2.899 -0.814 12.841 1.00 0.00 O ATOM 688 CB ARG A 49 1.800 2.045 11.459 1.00 0.00 C ATOM 689 CG ARG A 49 2.077 3.539 11.390 1.00 0.00 C ATOM 690 CD ARG A 49 2.819 4.028 12.624 1.00 0.00 C ATOM 691 NE ARG A 49 2.028 3.863 13.842 1.00 0.00 N ATOM 692 CZ ARG A 49 1.080 4.711 14.232 1.00 0.00 C ATOM 693 NH1 ARG A 49 0.794 5.782 13.502 1.00 0.00 N ATOM 694 NH2 ARG A 49 0.412 4.487 15.356 1.00 0.00 N ATOM 0 H ARG A 49 3.297 1.390 9.454 1.00 0.00 H new ATOM 0 HA ARG A 49 3.676 1.523 12.369 1.00 0.00 H new ATOM 0 HB2 ARG A 49 1.221 1.751 10.584 1.00 0.00 H new ATOM 0 HB3 ARG A 49 1.183 1.838 12.334 1.00 0.00 H new ATOM 0 HG2 ARG A 49 2.666 3.760 10.499 1.00 0.00 H new ATOM 0 HG3 ARG A 49 1.136 4.080 11.292 1.00 0.00 H new ATOM 0 HD2 ARG A 49 3.756 3.480 12.724 1.00 0.00 H new ATOM 0 HD3 ARG A 49 3.076 5.080 12.499 1.00 0.00 H new ATOM 0 HE ARG A 49 2.214 3.049 14.428 1.00 0.00 H new ATOM 0 HH11 ARG A 49 1.302 5.959 12.636 1.00 0.00 H new ATOM 0 HH12 ARG A 49 0.066 6.428 13.807 1.00 0.00 H new ATOM 0 HH21 ARG A 49 0.625 3.665 15.921 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -0.315 5.137 15.655 1.00 0.00 H new ATOM 708 N PHE A 50 2.151 -0.907 10.721 1.00 0.00 N ATOM 709 CA PHE A 50 1.752 -2.308 10.808 1.00 0.00 C ATOM 710 C PHE A 50 2.429 -3.136 9.721 1.00 0.00 C ATOM 711 O PHE A 50 2.938 -2.594 8.741 1.00 0.00 O ATOM 712 CB PHE A 50 0.232 -2.434 10.688 1.00 0.00 C ATOM 713 CG PHE A 50 -0.270 -3.840 10.855 1.00 0.00 C ATOM 714 CD1 PHE A 50 -0.090 -4.517 12.050 1.00 0.00 C ATOM 715 CD2 PHE A 50 -0.921 -4.485 9.815 1.00 0.00 C ATOM 716 CE1 PHE A 50 -0.550 -5.811 12.206 1.00 0.00 C ATOM 717 CE2 PHE A 50 -1.383 -5.779 9.965 1.00 0.00 C ATOM 718 CZ PHE A 50 -1.197 -6.442 11.161 1.00 0.00 C ATOM 0 H PHE A 50 1.976 -0.474 9.814 1.00 0.00 H new ATOM 0 HA PHE A 50 2.067 -2.690 11.779 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -0.237 -1.798 11.439 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -0.079 -2.059 9.713 1.00 0.00 H new ATOM 0 HD1 PHE A 50 0.416 -4.028 12.869 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -1.069 -3.971 8.877 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -0.404 -6.328 13.143 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -1.889 -6.271 9.147 1.00 0.00 H new ATOM 0 HZ PHE A 50 -1.557 -7.453 11.280 1.00 0.00 H new ATOM 728 N LYS A 51 2.429 -4.453 9.901 1.00 0.00 N ATOM 729 CA LYS A 51 3.042 -5.357 8.934 1.00 0.00 C ATOM 730 C LYS A 51 2.809 -6.812 9.327 1.00 0.00 C ATOM 731 O LYS A 51 3.231 -7.253 10.396 1.00 0.00 O ATOM 732 CB LYS A 51 4.543 -5.080 8.824 1.00 0.00 C ATOM 733 CG LYS A 51 5.250 -5.007 10.168 1.00 0.00 C ATOM 734 CD LYS A 51 6.091 -6.247 10.427 1.00 0.00 C ATOM 735 CE LYS A 51 6.708 -6.221 11.816 1.00 0.00 C ATOM 736 NZ LYS A 51 6.731 -7.572 12.439 1.00 0.00 N ATOM 0 H LYS A 51 2.012 -4.918 10.707 1.00 0.00 H new ATOM 0 HA LYS A 51 2.576 -5.182 7.964 1.00 0.00 H new ATOM 0 HB2 LYS A 51 5.005 -5.863 8.222 1.00 0.00 H new ATOM 0 HB3 LYS A 51 4.692 -4.140 8.293 1.00 0.00 H new ATOM 0 HG2 LYS A 51 5.886 -4.123 10.197 1.00 0.00 H new ATOM 0 HG3 LYS A 51 4.512 -4.895 10.962 1.00 0.00 H new ATOM 0 HD2 LYS A 51 5.471 -7.137 10.320 1.00 0.00 H new ATOM 0 HD3 LYS A 51 6.880 -6.316 9.678 1.00 0.00 H new ATOM 0 HE2 LYS A 51 7.725 -5.832 11.754 1.00 0.00 H new ATOM 0 HE3 LYS A 51 6.144 -5.538 12.451 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 7.159 -7.511 13.385 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 5.759 -7.933 12.522 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 7.291 -8.218 11.847 1.00 0.00 H new ATOM 750 N GLY A 52 2.134 -7.554 8.455 1.00 0.00 N ATOM 751 CA GLY A 52 1.856 -8.952 8.729 1.00 0.00 C ATOM 752 C GLY A 52 0.582 -9.432 8.060 1.00 0.00 C ATOM 753 O GLY A 52 0.067 -8.780 7.151 1.00 0.00 O ATOM 0 H GLY A 52 1.775 -7.212 7.564 1.00 0.00 H new ATOM 0 HA2 GLY A 52 2.694 -9.560 8.387 1.00 0.00 H new ATOM 0 HA3 GLY A 52 1.775 -9.099 9.806 1.00 0.00 H new ATOM 757 N GLU A 53 0.074 -10.574 8.509 1.00 0.00 N ATOM 758 CA GLU A 53 -1.147 -11.140 7.948 1.00 0.00 C ATOM 759 C GLU A 53 -2.376 -10.403 8.471 1.00 0.00 C ATOM 760 O GLU A 53 -2.437 -10.031 9.643 1.00 0.00 O ATOM 761 CB GLU A 53 -1.248 -12.628 8.286 1.00 0.00 C ATOM 762 CG GLU A 53 -0.107 -13.458 7.721 1.00 0.00 C ATOM 763 CD GLU A 53 0.849 -13.944 8.794 1.00 0.00 C ATOM 764 OE1 GLU A 53 0.578 -15.007 9.392 1.00 0.00 O ATOM 765 OE2 GLU A 53 1.867 -13.263 9.035 1.00 0.00 O ATOM 0 H GLU A 53 0.489 -11.126 9.260 1.00 0.00 H new ATOM 0 HA GLU A 53 -1.108 -11.024 6.865 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -1.270 -12.745 9.369 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -2.192 -13.016 7.904 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -0.516 -14.317 7.189 1.00 0.00 H new ATOM 0 HG3 GLU A 53 0.443 -12.863 6.992 1.00 0.00 H new ATOM 772 N THR A 54 -3.354 -10.196 7.595 1.00 0.00 N ATOM 773 CA THR A 54 -4.581 -9.503 7.969 1.00 0.00 C ATOM 774 C THR A 54 -5.784 -10.437 7.876 1.00 0.00 C ATOM 775 O THR A 54 -5.642 -11.618 7.562 1.00 0.00 O ATOM 776 CB THR A 54 -4.797 -8.284 7.071 1.00 0.00 C ATOM 777 OG1 THR A 54 -4.779 -8.658 5.704 1.00 0.00 O ATOM 778 CG2 THR A 54 -3.754 -7.204 7.264 1.00 0.00 C ATOM 0 H THR A 54 -3.320 -10.498 6.621 1.00 0.00 H new ATOM 0 HA THR A 54 -4.480 -9.171 9.002 1.00 0.00 H new ATOM 0 HB THR A 54 -5.769 -7.883 7.359 1.00 0.00 H new ATOM 0 HG1 THR A 54 -4.770 -9.635 5.632 1.00 0.00 H new ATOM 0 HG21 THR A 54 -3.967 -6.369 6.597 1.00 0.00 H new ATOM 0 HG22 THR A 54 -3.776 -6.858 8.297 1.00 0.00 H new ATOM 0 HG23 THR A 54 -2.767 -7.607 7.037 1.00 0.00 H new ATOM 786 N SER A 55 -6.967 -9.898 8.152 1.00 0.00 N ATOM 787 CA SER A 55 -8.195 -10.683 8.099 1.00 0.00 C ATOM 788 C SER A 55 -8.888 -10.519 6.751 1.00 0.00 C ATOM 789 O SER A 55 -9.309 -11.497 6.134 1.00 0.00 O ATOM 790 CB SER A 55 -9.141 -10.264 9.226 1.00 0.00 C ATOM 791 OG SER A 55 -10.031 -11.315 9.562 1.00 0.00 O ATOM 0 H SER A 55 -7.101 -8.922 8.414 1.00 0.00 H new ATOM 0 HA SER A 55 -7.931 -11.733 8.226 1.00 0.00 H new ATOM 0 HB2 SER A 55 -8.562 -9.979 10.104 1.00 0.00 H new ATOM 0 HB3 SER A 55 -9.709 -9.386 8.920 1.00 0.00 H new ATOM 0 HG SER A 55 -10.624 -11.023 10.286 1.00 0.00 H new ATOM 797 N PHE A 56 -9.002 -9.275 6.298 1.00 0.00 N ATOM 798 CA PHE A 56 -9.644 -8.980 5.023 1.00 0.00 C ATOM 799 C PHE A 56 -8.913 -9.669 3.874 1.00 0.00 C ATOM 800 O PHE A 56 -9.535 -10.126 2.915 1.00 0.00 O ATOM 801 CB PHE A 56 -9.685 -7.470 4.784 1.00 0.00 C ATOM 802 CG PHE A 56 -8.341 -6.809 4.895 1.00 0.00 C ATOM 803 CD1 PHE A 56 -7.496 -6.738 3.799 1.00 0.00 C ATOM 804 CD2 PHE A 56 -7.923 -6.257 6.096 1.00 0.00 C ATOM 805 CE1 PHE A 56 -6.259 -6.130 3.898 1.00 0.00 C ATOM 806 CE2 PHE A 56 -6.687 -5.648 6.201 1.00 0.00 C ATOM 807 CZ PHE A 56 -5.854 -5.584 5.101 1.00 0.00 C ATOM 0 H PHE A 56 -8.658 -8.454 6.796 1.00 0.00 H new ATOM 0 HA PHE A 56 -10.664 -9.361 5.062 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -10.095 -7.278 3.792 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -10.366 -7.015 5.503 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -7.808 -7.163 2.856 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -8.571 -6.303 6.959 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -5.610 -6.082 3.036 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -6.373 -5.222 7.142 1.00 0.00 H new ATOM 0 HZ PHE A 56 -4.888 -5.108 5.181 1.00 0.00 H new ATOM 817 N ALA A 57 -7.591 -9.740 3.979 1.00 0.00 N ATOM 818 CA ALA A 57 -6.776 -10.372 2.950 1.00 0.00 C ATOM 819 C ALA A 57 -5.618 -11.151 3.566 1.00 0.00 C ATOM 820 O ALA A 57 -5.225 -10.897 4.705 1.00 0.00 O ATOM 821 CB ALA A 57 -6.252 -9.327 1.975 1.00 0.00 C ATOM 0 H ALA A 57 -7.061 -9.367 4.767 1.00 0.00 H new ATOM 0 HA ALA A 57 -7.405 -11.077 2.407 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -5.645 -9.814 1.212 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -7.091 -8.818 1.501 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -5.644 -8.600 2.513 1.00 0.00 H new ATOM 827 N LYS A 58 -5.079 -12.099 2.808 1.00 0.00 N ATOM 828 CA LYS A 58 -3.966 -12.915 3.282 1.00 0.00 C ATOM 829 C LYS A 58 -2.630 -12.265 2.935 1.00 0.00 C ATOM 830 O LYS A 58 -2.584 -11.126 2.471 1.00 0.00 O ATOM 831 CB LYS A 58 -4.038 -14.317 2.673 1.00 0.00 C ATOM 832 CG LYS A 58 -3.620 -15.419 3.632 1.00 0.00 C ATOM 833 CD LYS A 58 -2.612 -16.364 2.997 1.00 0.00 C ATOM 834 CE LYS A 58 -2.720 -17.764 3.577 1.00 0.00 C ATOM 835 NZ LYS A 58 -1.387 -18.416 3.708 1.00 0.00 N ATOM 0 H LYS A 58 -5.394 -12.322 1.864 1.00 0.00 H new ATOM 0 HA LYS A 58 -4.041 -12.994 4.367 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -5.058 -14.506 2.337 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -3.400 -14.354 1.790 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -3.188 -14.976 4.530 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -4.499 -15.982 3.945 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -2.775 -16.402 1.920 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -1.604 -15.981 3.153 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -3.198 -17.716 4.555 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -3.361 -18.373 2.939 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -1.504 -19.369 4.107 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -0.941 -18.486 2.771 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -0.784 -17.849 4.337 1.00 0.00 H new ATOM 849 N GLY A 59 -1.544 -12.998 3.164 1.00 0.00 N ATOM 850 CA GLY A 59 -0.223 -12.475 2.869 1.00 0.00 C ATOM 851 C GLY A 59 0.178 -11.349 3.802 1.00 0.00 C ATOM 852 O GLY A 59 -0.588 -10.963 4.684 1.00 0.00 O ATOM 0 H GLY A 59 -1.556 -13.943 3.548 1.00 0.00 H new ATOM 0 HA2 GLY A 59 0.508 -13.281 2.942 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -0.200 -12.116 1.840 1.00 0.00 H new ATOM 856 N PHE A 60 1.383 -10.825 3.607 1.00 0.00 N ATOM 857 CA PHE A 60 1.887 -9.736 4.437 1.00 0.00 C ATOM 858 C PHE A 60 1.340 -8.393 3.964 1.00 0.00 C ATOM 859 O PHE A 60 1.312 -8.110 2.766 1.00 0.00 O ATOM 860 CB PHE A 60 3.417 -9.717 4.417 1.00 0.00 C ATOM 861 CG PHE A 60 4.040 -10.287 5.659 1.00 0.00 C ATOM 862 CD1 PHE A 60 4.147 -11.658 5.829 1.00 0.00 C ATOM 863 CD2 PHE A 60 4.520 -9.452 6.654 1.00 0.00 C ATOM 864 CE1 PHE A 60 4.720 -12.185 6.971 1.00 0.00 C ATOM 865 CE2 PHE A 60 5.095 -9.973 7.798 1.00 0.00 C ATOM 866 CZ PHE A 60 5.195 -11.341 7.957 1.00 0.00 C ATOM 0 H PHE A 60 2.029 -11.136 2.882 1.00 0.00 H new ATOM 0 HA PHE A 60 1.548 -9.904 5.459 1.00 0.00 H new ATOM 0 HB2 PHE A 60 3.768 -10.281 3.553 1.00 0.00 H new ATOM 0 HB3 PHE A 60 3.758 -8.690 4.288 1.00 0.00 H new ATOM 0 HD1 PHE A 60 3.779 -12.322 5.061 1.00 0.00 H new ATOM 0 HD2 PHE A 60 4.444 -8.381 6.535 1.00 0.00 H new ATOM 0 HE1 PHE A 60 4.797 -13.255 7.093 1.00 0.00 H new ATOM 0 HE2 PHE A 60 5.466 -9.311 8.567 1.00 0.00 H new ATOM 0 HZ PHE A 60 5.643 -11.751 8.850 1.00 0.00 H new ATOM 876 N TRP A 61 0.910 -7.568 4.913 1.00 0.00 N ATOM 877 CA TRP A 61 0.367 -6.253 4.597 1.00 0.00 C ATOM 878 C TRP A 61 0.925 -5.196 5.542 1.00 0.00 C ATOM 879 O TRP A 61 0.628 -5.199 6.737 1.00 0.00 O ATOM 880 CB TRP A 61 -1.160 -6.275 4.680 1.00 0.00 C ATOM 881 CG TRP A 61 -1.809 -6.979 3.528 1.00 0.00 C ATOM 882 CD1 TRP A 61 -2.370 -8.223 3.539 1.00 0.00 C ATOM 883 CD2 TRP A 61 -1.963 -6.481 2.194 1.00 0.00 C ATOM 884 NE1 TRP A 61 -2.865 -8.529 2.294 1.00 0.00 N ATOM 885 CE2 TRP A 61 -2.627 -7.475 1.451 1.00 0.00 C ATOM 886 CE3 TRP A 61 -1.605 -5.289 1.556 1.00 0.00 C ATOM 887 CZ2 TRP A 61 -2.939 -7.313 0.103 1.00 0.00 C ATOM 888 CZ3 TRP A 61 -1.915 -5.130 0.218 1.00 0.00 C ATOM 889 CH2 TRP A 61 -2.577 -6.138 -0.495 1.00 0.00 C ATOM 0 H TRP A 61 0.927 -7.788 5.909 1.00 0.00 H new ATOM 0 HA TRP A 61 0.663 -5.998 3.579 1.00 0.00 H new ATOM 0 HB2 TRP A 61 -1.459 -6.762 5.608 1.00 0.00 H new ATOM 0 HB3 TRP A 61 -1.529 -5.250 4.724 1.00 0.00 H new ATOM 0 HD1 TRP A 61 -2.418 -8.872 4.401 1.00 0.00 H new ATOM 0 HE1 TRP A 61 -3.333 -9.399 2.039 1.00 0.00 H new ATOM 0 HE3 TRP A 61 -1.095 -4.507 2.099 1.00 0.00 H new ATOM 0 HZ2 TRP A 61 -3.449 -8.088 -0.450 1.00 0.00 H new ATOM 0 HZ3 TRP A 61 -1.642 -4.214 -0.285 1.00 0.00 H new ATOM 0 HH2 TRP A 61 -2.806 -5.984 -1.539 1.00 0.00 H new ATOM 900 N ALA A 62 1.736 -4.292 5.001 1.00 0.00 N ATOM 901 CA ALA A 62 2.336 -3.231 5.798 1.00 0.00 C ATOM 902 C ALA A 62 1.498 -1.958 5.741 1.00 0.00 C ATOM 903 O ALA A 62 1.282 -1.394 4.668 1.00 0.00 O ATOM 904 CB ALA A 62 3.754 -2.954 5.324 1.00 0.00 C ATOM 0 H ALA A 62 1.992 -4.274 4.014 1.00 0.00 H new ATOM 0 HA ALA A 62 2.369 -3.565 6.835 1.00 0.00 H new ATOM 0 HB1 ALA A 62 4.191 -2.159 5.928 1.00 0.00 H new ATOM 0 HB2 ALA A 62 4.355 -3.858 5.425 1.00 0.00 H new ATOM 0 HB3 ALA A 62 3.735 -2.646 4.279 1.00 0.00 H new ATOM 910 N GLY A 63 1.032 -1.509 6.902 1.00 0.00 N ATOM 911 CA GLY A 63 0.225 -0.306 6.961 1.00 0.00 C ATOM 912 C GLY A 63 1.058 0.934 7.219 1.00 0.00 C ATOM 913 O GLY A 63 1.174 1.388 8.357 1.00 0.00 O ATOM 0 H GLY A 63 1.199 -1.957 7.803 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -0.317 -0.188 6.022 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -0.521 -0.410 7.749 1.00 0.00 H new ATOM 917 N VAL A 64 1.641 1.479 6.158 1.00 0.00 N ATOM 918 CA VAL A 64 2.469 2.673 6.270 1.00 0.00 C ATOM 919 C VAL A 64 1.614 3.928 6.398 1.00 0.00 C ATOM 920 O VAL A 64 0.570 4.047 5.757 1.00 0.00 O ATOM 921 CB VAL A 64 3.404 2.824 5.055 1.00 0.00 C ATOM 922 CG1 VAL A 64 4.387 3.963 5.275 1.00 0.00 C ATOM 923 CG2 VAL A 64 4.140 1.521 4.782 1.00 0.00 C ATOM 0 H VAL A 64 1.555 1.113 5.210 1.00 0.00 H new ATOM 0 HA VAL A 64 3.071 2.555 7.171 1.00 0.00 H new ATOM 0 HB VAL A 64 2.797 3.062 4.181 1.00 0.00 H new ATOM 0 HG11 VAL A 64 5.039 4.054 4.406 1.00 0.00 H new ATOM 0 HG12 VAL A 64 3.839 4.894 5.417 1.00 0.00 H new ATOM 0 HG13 VAL A 64 4.989 3.758 6.160 1.00 0.00 H new ATOM 0 HG21 VAL A 64 4.796 1.647 3.920 1.00 0.00 H new ATOM 0 HG22 VAL A 64 4.735 1.250 5.654 1.00 0.00 H new ATOM 0 HG23 VAL A 64 3.418 0.731 4.576 1.00 0.00 H new ATOM 933 N GLU A 65 2.065 4.862 7.229 1.00 0.00 N ATOM 934 CA GLU A 65 1.341 6.111 7.440 1.00 0.00 C ATOM 935 C GLU A 65 2.012 7.259 6.694 1.00 0.00 C ATOM 936 O GLU A 65 3.061 7.753 7.109 1.00 0.00 O ATOM 937 CB GLU A 65 1.262 6.432 8.933 1.00 0.00 C ATOM 938 CG GLU A 65 0.451 7.679 9.244 1.00 0.00 C ATOM 939 CD GLU A 65 0.583 8.116 10.690 1.00 0.00 C ATOM 940 OE1 GLU A 65 0.082 7.393 11.577 1.00 0.00 O ATOM 941 OE2 GLU A 65 1.189 9.179 10.936 1.00 0.00 O ATOM 0 H GLU A 65 2.928 4.778 7.767 1.00 0.00 H new ATOM 0 HA GLU A 65 0.331 5.989 7.049 1.00 0.00 H new ATOM 0 HB2 GLU A 65 0.822 5.583 9.456 1.00 0.00 H new ATOM 0 HB3 GLU A 65 2.272 6.559 9.323 1.00 0.00 H new ATOM 0 HG2 GLU A 65 0.775 8.490 8.592 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -0.599 7.490 9.020 1.00 0.00 H new ATOM 948 N LEU A 66 1.401 7.678 5.592 1.00 0.00 N ATOM 949 CA LEU A 66 1.940 8.768 4.786 1.00 0.00 C ATOM 950 C LEU A 66 1.767 10.107 5.495 1.00 0.00 C ATOM 951 O LEU A 66 0.787 10.322 6.208 1.00 0.00 O ATOM 952 CB LEU A 66 1.252 8.808 3.421 1.00 0.00 C ATOM 953 CG LEU A 66 1.118 7.453 2.723 1.00 0.00 C ATOM 954 CD1 LEU A 66 0.330 7.595 1.429 1.00 0.00 C ATOM 955 CD2 LEU A 66 2.492 6.859 2.449 1.00 0.00 C ATOM 0 H LEU A 66 0.532 7.280 5.236 1.00 0.00 H new ATOM 0 HA LEU A 66 3.006 8.589 4.644 1.00 0.00 H new ATOM 0 HB2 LEU A 66 0.257 9.236 3.545 1.00 0.00 H new ATOM 0 HB3 LEU A 66 1.809 9.481 2.770 1.00 0.00 H new ATOM 0 HG LEU A 66 0.575 6.777 3.383 1.00 0.00 H new ATOM 0 HD11 LEU A 66 0.245 6.621 0.946 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -0.666 7.979 1.650 1.00 0.00 H new ATOM 0 HD13 LEU A 66 0.846 8.286 0.763 1.00 0.00 H new ATOM 0 HD21 LEU A 66 2.379 5.895 1.952 1.00 0.00 H new ATOM 0 HD22 LEU A 66 3.059 7.534 1.808 1.00 0.00 H new ATOM 0 HD23 LEU A 66 3.023 6.722 3.391 1.00 0.00 H new ATOM 967 N ASP A 67 2.725 11.006 5.292 1.00 0.00 N ATOM 968 CA ASP A 67 2.679 12.326 5.909 1.00 0.00 C ATOM 969 C ASP A 67 1.574 13.181 5.294 1.00 0.00 C ATOM 970 O ASP A 67 1.086 14.123 5.918 1.00 0.00 O ATOM 971 CB ASP A 67 4.028 13.030 5.757 1.00 0.00 C ATOM 972 CG ASP A 67 5.012 12.637 6.842 1.00 0.00 C ATOM 973 OD1 ASP A 67 4.644 12.715 8.033 1.00 0.00 O ATOM 974 OD2 ASP A 67 6.149 12.251 6.500 1.00 0.00 O ATOM 0 H ASP A 67 3.543 10.844 4.705 1.00 0.00 H new ATOM 0 HA ASP A 67 2.462 12.194 6.969 1.00 0.00 H new ATOM 0 HB2 ASP A 67 4.452 12.790 4.782 1.00 0.00 H new ATOM 0 HB3 ASP A 67 3.876 14.109 5.782 1.00 0.00 H new ATOM 979 N LYS A 68 1.185 12.848 4.066 1.00 0.00 N ATOM 980 CA LYS A 68 0.139 13.585 3.368 1.00 0.00 C ATOM 981 C LYS A 68 -1.037 12.672 3.029 1.00 0.00 C ATOM 982 O LYS A 68 -0.878 11.455 2.931 1.00 0.00 O ATOM 983 CB LYS A 68 0.697 14.212 2.088 1.00 0.00 C ATOM 984 CG LYS A 68 1.883 15.131 2.330 1.00 0.00 C ATOM 985 CD LYS A 68 2.640 15.413 1.042 1.00 0.00 C ATOM 986 CE LYS A 68 3.162 16.841 1.005 1.00 0.00 C ATOM 987 NZ LYS A 68 3.940 17.115 -0.235 1.00 0.00 N ATOM 0 H LYS A 68 1.580 12.072 3.535 1.00 0.00 H new ATOM 0 HA LYS A 68 -0.217 14.376 4.028 1.00 0.00 H new ATOM 0 HB2 LYS A 68 0.997 13.418 1.405 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -0.094 14.776 1.594 1.00 0.00 H new ATOM 0 HG2 LYS A 68 1.535 16.069 2.762 1.00 0.00 H new ATOM 0 HG3 LYS A 68 2.556 14.675 3.057 1.00 0.00 H new ATOM 0 HD2 LYS A 68 3.474 14.717 0.949 1.00 0.00 H new ATOM 0 HD3 LYS A 68 1.984 15.242 0.188 1.00 0.00 H new ATOM 0 HE2 LYS A 68 2.324 17.536 1.069 1.00 0.00 H new ATOM 0 HE3 LYS A 68 3.792 17.020 1.876 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 4.278 18.098 -0.222 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 4.754 16.469 -0.284 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 3.332 16.969 -1.066 1.00 0.00 H new ATOM 1001 N PRO A 69 -2.238 13.247 2.847 1.00 0.00 N ATOM 1002 CA PRO A 69 -3.441 12.475 2.518 1.00 0.00 C ATOM 1003 C PRO A 69 -3.362 11.846 1.131 1.00 0.00 C ATOM 1004 O PRO A 69 -4.079 12.247 0.213 1.00 0.00 O ATOM 1005 CB PRO A 69 -4.564 13.516 2.574 1.00 0.00 C ATOM 1006 CG PRO A 69 -3.887 14.822 2.339 1.00 0.00 C ATOM 1007 CD PRO A 69 -2.518 14.692 2.945 1.00 0.00 C ATOM 0 HA PRO A 69 -3.588 11.639 3.202 1.00 0.00 H new ATOM 0 HB2 PRO A 69 -5.322 13.321 1.815 1.00 0.00 H new ATOM 0 HB3 PRO A 69 -5.069 13.501 3.540 1.00 0.00 H new ATOM 0 HG2 PRO A 69 -3.823 15.042 1.273 1.00 0.00 H new ATOM 0 HG3 PRO A 69 -4.442 15.638 2.801 1.00 0.00 H new ATOM 0 HD2 PRO A 69 -1.780 15.282 2.402 1.00 0.00 H new ATOM 0 HD3 PRO A 69 -2.502 15.035 3.979 1.00 0.00 H new ATOM 1015 N GLU A 70 -2.486 10.857 0.986 1.00 0.00 N ATOM 1016 CA GLU A 70 -2.311 10.169 -0.288 1.00 0.00 C ATOM 1017 C GLU A 70 -2.840 8.740 -0.214 1.00 0.00 C ATOM 1018 O GLU A 70 -3.254 8.169 -1.223 1.00 0.00 O ATOM 1019 CB GLU A 70 -0.835 10.159 -0.687 1.00 0.00 C ATOM 1020 CG GLU A 70 -0.343 11.490 -1.233 1.00 0.00 C ATOM 1021 CD GLU A 70 -0.143 11.466 -2.735 1.00 0.00 C ATOM 1022 OE1 GLU A 70 0.721 10.699 -3.207 1.00 0.00 O ATOM 1023 OE2 GLU A 70 -0.852 12.216 -3.440 1.00 0.00 O ATOM 0 H GLU A 70 -1.886 10.514 1.736 1.00 0.00 H new ATOM 0 HA GLU A 70 -2.881 10.708 -1.044 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -0.234 9.888 0.181 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -0.676 9.386 -1.439 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -1.060 12.270 -0.978 1.00 0.00 H new ATOM 0 HG3 GLU A 70 0.598 11.751 -0.749 1.00 0.00 H new ATOM 1030 N GLY A 71 -2.822 8.166 0.986 1.00 0.00 N ATOM 1031 CA GLY A 71 -3.302 6.808 1.165 1.00 0.00 C ATOM 1032 C GLY A 71 -4.774 6.665 0.837 1.00 0.00 C ATOM 1033 O GLY A 71 -5.199 6.953 -0.282 1.00 0.00 O ATOM 0 H GLY A 71 -2.484 8.617 1.836 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -2.725 6.135 0.531 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -3.131 6.499 2.196 1.00 0.00 H new ATOM 1037 N ASN A 72 -5.557 6.218 1.814 1.00 0.00 N ATOM 1038 CA ASN A 72 -6.993 6.038 1.622 1.00 0.00 C ATOM 1039 C ASN A 72 -7.663 5.563 2.908 1.00 0.00 C ATOM 1040 O ASN A 72 -8.779 5.975 3.226 1.00 0.00 O ATOM 1041 CB ASN A 72 -7.256 5.035 0.497 1.00 0.00 C ATOM 1042 CG ASN A 72 -6.703 3.658 0.807 1.00 0.00 C ATOM 1043 OD1 ASN A 72 -5.404 3.480 0.594 1.00 0.00 O flip ATOM 1044 ND2 ASN A 72 -7.434 2.764 1.234 1.00 0.00 N flip ATOM 0 H ASN A 72 -5.222 5.974 2.746 1.00 0.00 H new ATOM 0 HA ASN A 72 -7.419 7.003 1.349 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -8.330 4.961 0.324 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -6.809 5.403 -0.426 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -8.427 2.945 1.383 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -7.047 1.843 1.439 1.00 0.00 H new ATOM 1051 N ASN A 73 -6.977 4.693 3.643 1.00 0.00 N ATOM 1052 CA ASN A 73 -7.510 4.161 4.892 1.00 0.00 C ATOM 1053 C ASN A 73 -7.026 4.978 6.085 1.00 0.00 C ATOM 1054 O ASN A 73 -6.270 5.937 5.929 1.00 0.00 O ATOM 1055 CB ASN A 73 -7.097 2.698 5.062 1.00 0.00 C ATOM 1056 CG ASN A 73 -7.812 1.779 4.091 1.00 0.00 C ATOM 1057 OD1 ASN A 73 -7.049 1.132 3.217 1.00 0.00 O flip ATOM 1058 ND2 ASN A 73 -9.036 1.651 4.127 1.00 0.00 N flip ATOM 0 H ASN A 73 -6.052 4.342 3.395 1.00 0.00 H new ATOM 0 HA ASN A 73 -8.597 4.225 4.850 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -6.020 2.608 4.917 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -7.309 2.380 6.083 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -9.583 2.168 4.816 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -9.503 1.028 3.468 1.00 0.00 H new ATOM 1065 N ASN A 74 -7.468 4.591 7.277 1.00 0.00 N ATOM 1066 CA ASN A 74 -7.082 5.286 8.500 1.00 0.00 C ATOM 1067 C ASN A 74 -6.631 4.296 9.569 1.00 0.00 C ATOM 1068 O ASN A 74 -6.798 4.540 10.764 1.00 0.00 O ATOM 1069 CB ASN A 74 -8.250 6.123 9.026 1.00 0.00 C ATOM 1070 CG ASN A 74 -9.530 5.319 9.144 1.00 0.00 C ATOM 1071 OD1 ASN A 74 -10.180 5.015 8.144 1.00 0.00 O ATOM 1072 ND2 ASN A 74 -9.901 4.973 10.371 1.00 0.00 N ATOM 0 H ASN A 74 -8.094 3.799 7.422 1.00 0.00 H new ATOM 0 HA ASN A 74 -6.247 5.946 8.265 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -7.990 6.532 10.002 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -8.416 6.970 8.360 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -10.755 4.434 10.513 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -9.332 5.246 11.172 1.00 0.00 H new ATOM 1079 N GLY A 75 -6.057 3.179 9.132 1.00 0.00 N ATOM 1080 CA GLY A 75 -5.591 2.172 10.065 1.00 0.00 C ATOM 1081 C GLY A 75 -6.616 1.079 10.301 1.00 0.00 C ATOM 1082 O GLY A 75 -6.260 -0.060 10.602 1.00 0.00 O ATOM 0 H GLY A 75 -5.907 2.954 8.148 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -4.671 1.727 9.685 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -5.346 2.647 11.015 1.00 0.00 H new ATOM 1086 N THR A 76 -7.892 1.426 10.163 1.00 0.00 N ATOM 1087 CA THR A 76 -8.972 0.466 10.363 1.00 0.00 C ATOM 1088 C THR A 76 -9.505 -0.040 9.027 1.00 0.00 C ATOM 1089 O THR A 76 -10.270 0.649 8.352 1.00 0.00 O ATOM 1090 CB THR A 76 -10.104 1.102 11.170 1.00 0.00 C ATOM 1091 OG1 THR A 76 -9.618 2.173 11.959 1.00 0.00 O ATOM 1092 CG2 THR A 76 -10.800 0.128 12.096 1.00 0.00 C ATOM 0 H THR A 76 -8.203 2.365 9.914 1.00 0.00 H new ATOM 0 HA THR A 76 -8.572 -0.383 10.918 1.00 0.00 H new ATOM 0 HB THR A 76 -10.824 1.452 10.430 1.00 0.00 H new ATOM 0 HG1 THR A 76 -10.358 2.568 12.466 1.00 0.00 H new ATOM 0 HG21 THR A 76 -11.592 0.644 12.638 1.00 0.00 H new ATOM 0 HG22 THR A 76 -11.231 -0.685 11.512 1.00 0.00 H new ATOM 0 HG23 THR A 76 -10.079 -0.278 12.806 1.00 0.00 H new ATOM 1100 N TYR A 77 -9.095 -1.247 8.652 1.00 0.00 N ATOM 1101 CA TYR A 77 -9.532 -1.845 7.396 1.00 0.00 C ATOM 1102 C TYR A 77 -10.791 -2.681 7.600 1.00 0.00 C ATOM 1103 O TYR A 77 -10.744 -3.760 8.189 1.00 0.00 O ATOM 1104 CB TYR A 77 -8.420 -2.714 6.806 1.00 0.00 C ATOM 1105 CG TYR A 77 -8.444 -2.788 5.297 1.00 0.00 C ATOM 1106 CD1 TYR A 77 -9.592 -3.177 4.619 1.00 0.00 C ATOM 1107 CD2 TYR A 77 -7.317 -2.468 4.548 1.00 0.00 C ATOM 1108 CE1 TYR A 77 -9.618 -3.246 3.238 1.00 0.00 C ATOM 1109 CE2 TYR A 77 -7.335 -2.534 3.168 1.00 0.00 C ATOM 1110 CZ TYR A 77 -8.486 -2.923 2.518 1.00 0.00 C ATOM 1111 OH TYR A 77 -8.508 -2.990 1.144 1.00 0.00 O ATOM 0 H TYR A 77 -8.461 -1.830 9.199 1.00 0.00 H new ATOM 0 HA TYR A 77 -9.762 -1.038 6.700 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -7.455 -2.321 7.127 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -8.505 -3.722 7.212 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -10.480 -3.430 5.180 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -6.413 -2.163 5.053 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -10.519 -3.551 2.726 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -6.451 -2.282 2.601 1.00 0.00 H new ATOM 0 HH TYR A 77 -7.632 -2.730 0.790 1.00 0.00 H new ATOM 1121 N ASP A 78 -11.917 -2.173 7.110 1.00 0.00 N ATOM 1122 CA ASP A 78 -13.191 -2.872 7.238 1.00 0.00 C ATOM 1123 C ASP A 78 -13.568 -3.052 8.706 1.00 0.00 C ATOM 1124 O ASP A 78 -14.237 -4.018 9.071 1.00 0.00 O ATOM 1125 CB ASP A 78 -13.121 -4.234 6.544 1.00 0.00 C ATOM 1126 CG ASP A 78 -14.302 -4.474 5.624 1.00 0.00 C ATOM 1127 OD1 ASP A 78 -14.317 -3.901 4.514 1.00 0.00 O ATOM 1128 OD2 ASP A 78 -15.212 -5.236 6.013 1.00 0.00 O ATOM 0 H ASP A 78 -11.973 -1.280 6.621 1.00 0.00 H new ATOM 0 HA ASP A 78 -13.960 -2.267 6.757 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -12.197 -4.299 5.969 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -13.084 -5.021 7.297 1.00 0.00 H new ATOM 1133 N GLY A 79 -13.135 -2.114 9.543 1.00 0.00 N ATOM 1134 CA GLY A 79 -13.438 -2.188 10.961 1.00 0.00 C ATOM 1135 C GLY A 79 -12.266 -2.693 11.780 1.00 0.00 C ATOM 1136 O GLY A 79 -12.135 -2.358 12.958 1.00 0.00 O ATOM 0 H GLY A 79 -12.580 -1.305 9.265 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -13.729 -1.200 11.319 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -14.293 -2.846 11.113 1.00 0.00 H new ATOM 1140 N ILE A 80 -11.415 -3.501 11.157 1.00 0.00 N ATOM 1141 CA ILE A 80 -10.250 -4.053 11.837 1.00 0.00 C ATOM 1142 C ILE A 80 -9.166 -2.995 12.018 1.00 0.00 C ATOM 1143 O ILE A 80 -8.499 -2.605 11.059 1.00 0.00 O ATOM 1144 CB ILE A 80 -9.660 -5.247 11.062 1.00 0.00 C ATOM 1145 CG1 ILE A 80 -10.766 -6.232 10.681 1.00 0.00 C ATOM 1146 CG2 ILE A 80 -8.589 -5.939 11.892 1.00 0.00 C ATOM 1147 CD1 ILE A 80 -11.546 -6.754 11.869 1.00 0.00 C ATOM 0 H ILE A 80 -11.510 -3.788 10.183 1.00 0.00 H new ATOM 0 HA ILE A 80 -10.588 -4.395 12.815 1.00 0.00 H new ATOM 0 HB ILE A 80 -9.199 -4.876 10.146 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -11.454 -5.744 9.991 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -10.324 -7.074 10.148 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -8.181 -6.780 11.332 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -7.790 -5.232 12.118 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -9.027 -6.301 12.822 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -12.313 -7.447 11.524 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -10.870 -7.271 12.550 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -12.017 -5.920 12.390 1.00 0.00 H new ATOM 1159 N ALA A 81 -8.996 -2.534 13.253 1.00 0.00 N ATOM 1160 CA ALA A 81 -7.995 -1.521 13.561 1.00 0.00 C ATOM 1161 C ALA A 81 -6.591 -2.116 13.564 1.00 0.00 C ATOM 1162 O ALA A 81 -6.390 -3.256 13.986 1.00 0.00 O ATOM 1163 CB ALA A 81 -8.297 -0.872 14.903 1.00 0.00 C ATOM 0 H ALA A 81 -9.540 -2.847 14.057 1.00 0.00 H new ATOM 0 HA ALA A 81 -8.036 -0.759 12.783 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -7.541 -0.117 15.120 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -9.280 -0.402 14.867 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -8.287 -1.631 15.685 1.00 0.00 H new ATOM 1169 N TYR A 82 -5.623 -1.339 13.091 1.00 0.00 N ATOM 1170 CA TYR A 82 -4.236 -1.788 13.040 1.00 0.00 C ATOM 1171 C TYR A 82 -3.303 -0.734 13.627 1.00 0.00 C ATOM 1172 O TYR A 82 -2.494 -1.028 14.506 1.00 0.00 O ATOM 1173 CB TYR A 82 -3.831 -2.098 11.598 1.00 0.00 C ATOM 1174 CG TYR A 82 -4.360 -3.422 11.091 1.00 0.00 C ATOM 1175 CD1 TYR A 82 -3.772 -4.620 11.475 1.00 0.00 C ATOM 1176 CD2 TYR A 82 -5.447 -3.471 10.226 1.00 0.00 C ATOM 1177 CE1 TYR A 82 -4.253 -5.830 11.013 1.00 0.00 C ATOM 1178 CE2 TYR A 82 -5.933 -4.678 9.760 1.00 0.00 C ATOM 1179 CZ TYR A 82 -5.333 -5.853 10.156 1.00 0.00 C ATOM 1180 OH TYR A 82 -5.815 -7.057 9.694 1.00 0.00 O ATOM 0 H TYR A 82 -5.773 -0.394 12.737 1.00 0.00 H new ATOM 0 HA TYR A 82 -4.151 -2.696 13.637 1.00 0.00 H new ATOM 0 HB2 TYR A 82 -4.191 -1.300 10.949 1.00 0.00 H new ATOM 0 HB3 TYR A 82 -2.743 -2.100 11.527 1.00 0.00 H new ATOM 0 HD1 TYR A 82 -2.925 -4.606 12.145 1.00 0.00 H new ATOM 0 HD2 TYR A 82 -5.919 -2.551 9.913 1.00 0.00 H new ATOM 0 HE1 TYR A 82 -3.785 -6.753 11.322 1.00 0.00 H new ATOM 0 HE2 TYR A 82 -6.779 -4.700 9.089 1.00 0.00 H new ATOM 0 HH TYR A 82 -6.579 -6.898 9.101 1.00 0.00 H new ATOM 1190 N PHE A 83 -3.423 0.495 13.136 1.00 0.00 N ATOM 1191 CA PHE A 83 -2.592 1.595 13.612 1.00 0.00 C ATOM 1192 C PHE A 83 -3.392 2.891 13.680 1.00 0.00 C ATOM 1193 O PHE A 83 -4.552 2.938 13.271 1.00 0.00 O ATOM 1194 CB PHE A 83 -1.377 1.778 12.701 1.00 0.00 C ATOM 1195 CG PHE A 83 -1.725 1.843 11.241 1.00 0.00 C ATOM 1196 CD1 PHE A 83 -2.108 0.703 10.555 1.00 0.00 C ATOM 1197 CD2 PHE A 83 -1.667 3.046 10.554 1.00 0.00 C ATOM 1198 CE1 PHE A 83 -2.429 0.760 9.211 1.00 0.00 C ATOM 1199 CE2 PHE A 83 -1.986 3.109 9.211 1.00 0.00 C ATOM 1200 CZ PHE A 83 -2.368 1.965 8.539 1.00 0.00 C ATOM 0 H PHE A 83 -4.088 0.755 12.408 1.00 0.00 H new ATOM 0 HA PHE A 83 -2.248 1.348 14.617 1.00 0.00 H new ATOM 0 HB2 PHE A 83 -0.856 2.693 12.983 1.00 0.00 H new ATOM 0 HB3 PHE A 83 -0.683 0.953 12.864 1.00 0.00 H new ATOM 0 HD1 PHE A 83 -2.157 -0.242 11.076 1.00 0.00 H new ATOM 0 HD2 PHE A 83 -1.369 3.944 11.075 1.00 0.00 H new ATOM 0 HE1 PHE A 83 -2.727 -0.137 8.688 1.00 0.00 H new ATOM 0 HE2 PHE A 83 -1.937 4.052 8.687 1.00 0.00 H new ATOM 0 HZ PHE A 83 -2.619 2.012 7.490 1.00 0.00 H new ATOM 1210 N GLU A 84 -2.766 3.941 14.202 1.00 0.00 N ATOM 1211 CA GLU A 84 -3.421 5.237 14.325 1.00 0.00 C ATOM 1212 C GLU A 84 -2.904 6.212 13.271 1.00 0.00 C ATOM 1213 O GLU A 84 -1.696 6.354 13.082 1.00 0.00 O ATOM 1214 CB GLU A 84 -3.196 5.815 15.724 1.00 0.00 C ATOM 1215 CG GLU A 84 -3.877 7.157 15.945 1.00 0.00 C ATOM 1216 CD GLU A 84 -2.890 8.272 16.232 1.00 0.00 C ATOM 1217 OE1 GLU A 84 -1.943 8.446 15.437 1.00 0.00 O ATOM 1218 OE2 GLU A 84 -3.066 8.972 17.252 1.00 0.00 O ATOM 0 H GLU A 84 -1.806 3.919 14.546 1.00 0.00 H new ATOM 0 HA GLU A 84 -4.490 5.092 14.166 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -3.563 5.105 16.465 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -2.125 5.928 15.893 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -4.462 7.413 15.062 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -4.576 7.073 16.777 1.00 0.00 H new ATOM 1225 N CYS A 85 -3.827 6.882 12.589 1.00 0.00 N ATOM 1226 CA CYS A 85 -3.464 7.845 11.555 1.00 0.00 C ATOM 1227 C CYS A 85 -4.681 8.652 11.113 1.00 0.00 C ATOM 1228 O CYS A 85 -5.777 8.483 11.645 1.00 0.00 O ATOM 1229 CB CYS A 85 -2.848 7.127 10.353 1.00 0.00 C ATOM 1230 SG CYS A 85 -3.791 5.695 9.784 1.00 0.00 S ATOM 0 H CYS A 85 -4.831 6.776 12.733 1.00 0.00 H new ATOM 0 HA CYS A 85 -2.728 8.531 11.974 1.00 0.00 H new ATOM 0 HB2 CYS A 85 -2.753 7.836 9.530 1.00 0.00 H new ATOM 0 HB3 CYS A 85 -1.840 6.804 10.614 1.00 0.00 H new ATOM 0 HG CYS A 85 -3.111 4.610 10.008 1.00 0.00 H new ATOM 1236 N LYS A 86 -4.477 9.533 10.139 1.00 0.00 N ATOM 1237 CA LYS A 86 -5.556 10.371 9.627 1.00 0.00 C ATOM 1238 C LYS A 86 -6.634 9.526 8.954 1.00 0.00 C ATOM 1239 O LYS A 86 -6.581 8.296 8.981 1.00 0.00 O ATOM 1240 CB LYS A 86 -5.001 11.396 8.637 1.00 0.00 C ATOM 1241 CG LYS A 86 -4.497 12.669 9.298 1.00 0.00 C ATOM 1242 CD LYS A 86 -3.105 12.479 9.878 1.00 0.00 C ATOM 1243 CE LYS A 86 -2.277 13.749 9.766 1.00 0.00 C ATOM 1244 NZ LYS A 86 -0.861 13.528 10.170 1.00 0.00 N ATOM 0 H LYS A 86 -3.575 9.685 9.688 1.00 0.00 H new ATOM 0 HA LYS A 86 -6.009 10.894 10.469 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -4.186 10.941 8.075 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -5.779 11.653 7.918 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -4.481 13.478 8.568 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -5.185 12.967 10.089 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -3.183 12.185 10.925 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -2.600 11.667 9.356 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -2.309 14.113 8.739 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -2.716 14.525 10.393 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -0.331 14.418 10.079 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -0.828 13.205 11.158 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -0.433 12.806 9.555 1.00 0.00 H new ATOM 1258 N GLU A 87 -7.615 10.195 8.357 1.00 0.00 N ATOM 1259 CA GLU A 87 -8.712 9.511 7.682 1.00 0.00 C ATOM 1260 C GLU A 87 -8.219 8.745 6.455 1.00 0.00 C ATOM 1261 O GLU A 87 -8.617 7.603 6.227 1.00 0.00 O ATOM 1262 CB GLU A 87 -9.788 10.518 7.271 1.00 0.00 C ATOM 1263 CG GLU A 87 -10.969 10.570 8.226 1.00 0.00 C ATOM 1264 CD GLU A 87 -11.427 11.987 8.511 1.00 0.00 C ATOM 1265 OE1 GLU A 87 -10.669 12.737 9.160 1.00 0.00 O ATOM 1266 OE2 GLU A 87 -12.545 12.346 8.085 1.00 0.00 O ATOM 0 H GLU A 87 -7.673 11.213 8.327 1.00 0.00 H new ATOM 0 HA GLU A 87 -9.139 8.792 8.381 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -9.340 11.510 7.206 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -10.149 10.265 6.274 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -11.798 10.002 7.804 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -10.695 10.085 9.163 1.00 0.00 H new ATOM 1273 N LYS A 88 -7.361 9.381 5.664 1.00 0.00 N ATOM 1274 CA LYS A 88 -6.831 8.751 4.458 1.00 0.00 C ATOM 1275 C LYS A 88 -5.318 8.933 4.355 1.00 0.00 C ATOM 1276 O LYS A 88 -4.815 9.493 3.381 1.00 0.00 O ATOM 1277 CB LYS A 88 -7.512 9.328 3.217 1.00 0.00 C ATOM 1278 CG LYS A 88 -9.022 9.448 3.351 1.00 0.00 C ATOM 1279 CD LYS A 88 -9.735 8.969 2.097 1.00 0.00 C ATOM 1280 CE LYS A 88 -10.919 9.862 1.754 1.00 0.00 C ATOM 1281 NZ LYS A 88 -11.595 9.430 0.500 1.00 0.00 N ATOM 0 H LYS A 88 -7.019 10.327 5.834 1.00 0.00 H new ATOM 0 HA LYS A 88 -7.041 7.683 4.519 1.00 0.00 H new ATOM 0 HB2 LYS A 88 -7.095 10.313 3.009 1.00 0.00 H new ATOM 0 HB3 LYS A 88 -7.281 8.696 2.359 1.00 0.00 H new ATOM 0 HG2 LYS A 88 -9.359 8.864 4.207 1.00 0.00 H new ATOM 0 HG3 LYS A 88 -9.289 10.486 3.548 1.00 0.00 H new ATOM 0 HD2 LYS A 88 -9.035 8.955 1.262 1.00 0.00 H new ATOM 0 HD3 LYS A 88 -10.080 7.945 2.242 1.00 0.00 H new ATOM 0 HE2 LYS A 88 -11.635 9.847 2.576 1.00 0.00 H new ATOM 0 HE3 LYS A 88 -10.578 10.892 1.646 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 -12.396 10.063 0.301 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -10.919 9.468 -0.290 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 -11.943 8.456 0.611 1.00 0.00 H new ATOM 1295 N HIS A 89 -4.598 8.451 5.361 1.00 0.00 N ATOM 1296 CA HIS A 89 -3.143 8.556 5.377 1.00 0.00 C ATOM 1297 C HIS A 89 -2.495 7.175 5.443 1.00 0.00 C ATOM 1298 O HIS A 89 -1.407 6.963 4.909 1.00 0.00 O ATOM 1299 CB HIS A 89 -2.682 9.408 6.559 1.00 0.00 C ATOM 1300 CG HIS A 89 -2.608 10.871 6.248 1.00 0.00 C ATOM 1301 ND1 HIS A 89 -1.490 11.646 6.456 1.00 0.00 N ATOM 1302 CD2 HIS A 89 -3.549 11.702 5.733 1.00 0.00 C ATOM 1303 CE1 HIS A 89 -1.779 12.896 6.072 1.00 0.00 C ATOM 1304 NE2 HIS A 89 -3.017 12.984 5.625 1.00 0.00 N ATOM 0 H HIS A 89 -4.997 7.984 6.176 1.00 0.00 H new ATOM 0 HA HIS A 89 -2.831 9.038 4.450 1.00 0.00 H new ATOM 0 HB2 HIS A 89 -3.366 9.256 7.394 1.00 0.00 H new ATOM 0 HB3 HIS A 89 -1.700 9.064 6.884 1.00 0.00 H new ATOM 0 HD1 HIS A 89 -0.599 11.325 6.835 1.00 0.00 H new ATOM 0 HD2 HIS A 89 -4.551 11.415 5.452 1.00 0.00 H new ATOM 0 HE1 HIS A 89 -1.088 13.725 6.122 1.00 0.00 H new ATOM 1312 N GLY A 90 -3.173 6.237 6.100 1.00 0.00 N ATOM 1313 CA GLY A 90 -2.649 4.891 6.220 1.00 0.00 C ATOM 1314 C GLY A 90 -2.976 4.034 5.013 1.00 0.00 C ATOM 1315 O GLY A 90 -4.139 3.901 4.636 1.00 0.00 O ATOM 0 H GLY A 90 -4.076 6.387 6.551 1.00 0.00 H new ATOM 0 HA2 GLY A 90 -1.568 4.935 6.349 1.00 0.00 H new ATOM 0 HA3 GLY A 90 -3.058 4.423 7.116 1.00 0.00 H new ATOM 1319 N ILE A 91 -1.947 3.451 4.406 1.00 0.00 N ATOM 1320 CA ILE A 91 -2.132 2.604 3.235 1.00 0.00 C ATOM 1321 C ILE A 91 -1.432 1.260 3.413 1.00 0.00 C ATOM 1322 O ILE A 91 -0.271 1.202 3.817 1.00 0.00 O ATOM 1323 CB ILE A 91 -1.601 3.289 1.959 1.00 0.00 C ATOM 1324 CG1 ILE A 91 -1.901 2.433 0.727 1.00 0.00 C ATOM 1325 CG2 ILE A 91 -0.107 3.553 2.077 1.00 0.00 C ATOM 1326 CD1 ILE A 91 -1.895 3.215 -0.568 1.00 0.00 C ATOM 0 H ILE A 91 -0.977 3.550 4.706 1.00 0.00 H new ATOM 0 HA ILE A 91 -3.204 2.437 3.128 1.00 0.00 H new ATOM 0 HB ILE A 91 -2.110 4.246 1.844 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -1.164 1.633 0.662 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -2.875 1.960 0.852 1.00 0.00 H new ATOM 0 HG21 ILE A 91 0.250 4.037 1.168 1.00 0.00 H new ATOM 0 HG22 ILE A 91 0.081 4.203 2.932 1.00 0.00 H new ATOM 0 HG23 ILE A 91 0.419 2.609 2.216 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -2.115 2.545 -1.399 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -2.652 3.998 -0.524 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -0.914 3.666 -0.716 1.00 0.00 H new ATOM 1338 N PHE A 92 -2.147 0.183 3.108 1.00 0.00 N ATOM 1339 CA PHE A 92 -1.595 -1.162 3.233 1.00 0.00 C ATOM 1340 C PHE A 92 -0.938 -1.603 1.930 1.00 0.00 C ATOM 1341 O PHE A 92 -1.615 -1.822 0.925 1.00 0.00 O ATOM 1342 CB PHE A 92 -2.693 -2.152 3.626 1.00 0.00 C ATOM 1343 CG PHE A 92 -3.336 -1.845 4.948 1.00 0.00 C ATOM 1344 CD1 PHE A 92 -4.289 -0.845 5.054 1.00 0.00 C ATOM 1345 CD2 PHE A 92 -2.988 -2.557 6.085 1.00 0.00 C ATOM 1346 CE1 PHE A 92 -4.884 -0.561 6.270 1.00 0.00 C ATOM 1347 CE2 PHE A 92 -3.578 -2.277 7.303 1.00 0.00 C ATOM 1348 CZ PHE A 92 -4.528 -1.278 7.395 1.00 0.00 C ATOM 0 H PHE A 92 -3.110 0.214 2.773 1.00 0.00 H new ATOM 0 HA PHE A 92 -0.835 -1.145 4.014 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -3.460 -2.157 2.851 1.00 0.00 H new ATOM 0 HB3 PHE A 92 -2.269 -3.156 3.662 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -4.571 -0.281 4.177 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -2.247 -3.340 6.018 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -5.626 0.221 6.339 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -3.297 -2.838 8.182 1.00 0.00 H new ATOM 0 HZ PHE A 92 -4.991 -1.058 8.345 1.00 0.00 H new ATOM 1358 N ALA A 93 0.384 -1.733 1.954 1.00 0.00 N ATOM 1359 CA ALA A 93 1.133 -2.149 0.774 1.00 0.00 C ATOM 1360 C ALA A 93 1.904 -3.440 1.040 1.00 0.00 C ATOM 1361 O ALA A 93 2.383 -3.666 2.152 1.00 0.00 O ATOM 1362 CB ALA A 93 2.084 -1.044 0.338 1.00 0.00 C ATOM 0 H ALA A 93 0.959 -1.556 2.778 1.00 0.00 H new ATOM 0 HA ALA A 93 0.422 -2.341 -0.030 1.00 0.00 H new ATOM 0 HB1 ALA A 93 2.637 -1.367 -0.544 1.00 0.00 H new ATOM 0 HB2 ALA A 93 1.514 -0.146 0.100 1.00 0.00 H new ATOM 0 HB3 ALA A 93 2.783 -0.826 1.145 1.00 0.00 H new ATOM 1368 N PRO A 94 2.037 -4.307 0.021 1.00 0.00 N ATOM 1369 CA PRO A 94 2.756 -5.578 0.155 1.00 0.00 C ATOM 1370 C PRO A 94 4.170 -5.388 0.698 1.00 0.00 C ATOM 1371 O PRO A 94 4.735 -4.297 0.613 1.00 0.00 O ATOM 1372 CB PRO A 94 2.803 -6.117 -1.277 1.00 0.00 C ATOM 1373 CG PRO A 94 1.648 -5.476 -1.964 1.00 0.00 C ATOM 1374 CD PRO A 94 1.499 -4.117 -1.339 1.00 0.00 C ATOM 0 HA PRO A 94 2.266 -6.249 0.860 1.00 0.00 H new ATOM 0 HB2 PRO A 94 3.744 -5.862 -1.765 1.00 0.00 H new ATOM 0 HB3 PRO A 94 2.719 -7.204 -1.293 1.00 0.00 H new ATOM 0 HG2 PRO A 94 1.827 -5.395 -3.036 1.00 0.00 H new ATOM 0 HG3 PRO A 94 0.741 -6.066 -1.836 1.00 0.00 H new ATOM 0 HD2 PRO A 94 2.056 -3.358 -1.889 1.00 0.00 H new ATOM 0 HD3 PRO A 94 0.458 -3.796 -1.318 1.00 0.00 H new ATOM 1382 N PRO A 95 4.764 -6.452 1.266 1.00 0.00 N ATOM 1383 CA PRO A 95 6.120 -6.398 1.822 1.00 0.00 C ATOM 1384 C PRO A 95 7.168 -6.087 0.759 1.00 0.00 C ATOM 1385 O PRO A 95 8.168 -5.426 1.034 1.00 0.00 O ATOM 1386 CB PRO A 95 6.338 -7.806 2.390 1.00 0.00 C ATOM 1387 CG PRO A 95 5.353 -8.667 1.677 1.00 0.00 C ATOM 1388 CD PRO A 95 4.164 -7.791 1.408 1.00 0.00 C ATOM 0 HA PRO A 95 6.220 -5.607 2.565 1.00 0.00 H new ATOM 0 HB2 PRO A 95 7.359 -8.148 2.217 1.00 0.00 H new ATOM 0 HB3 PRO A 95 6.173 -7.827 3.467 1.00 0.00 H new ATOM 0 HG2 PRO A 95 5.772 -9.054 0.748 1.00 0.00 H new ATOM 0 HG3 PRO A 95 5.075 -9.528 2.284 1.00 0.00 H new ATOM 0 HD2 PRO A 95 3.635 -8.094 0.504 1.00 0.00 H new ATOM 0 HD3 PRO A 95 3.444 -7.826 2.225 1.00 0.00 H new ATOM 1396 N GLN A 96 6.929 -6.565 -0.457 1.00 0.00 N ATOM 1397 CA GLN A 96 7.852 -6.336 -1.564 1.00 0.00 C ATOM 1398 C GLN A 96 8.019 -4.845 -1.834 1.00 0.00 C ATOM 1399 O GLN A 96 9.066 -4.403 -2.310 1.00 0.00 O ATOM 1400 CB GLN A 96 7.353 -7.043 -2.826 1.00 0.00 C ATOM 1401 CG GLN A 96 5.930 -6.671 -3.208 1.00 0.00 C ATOM 1402 CD GLN A 96 5.760 -6.480 -4.703 1.00 0.00 C ATOM 1403 OE1 GLN A 96 6.624 -5.911 -5.370 1.00 0.00 O ATOM 1404 NE2 GLN A 96 4.639 -6.955 -5.237 1.00 0.00 N ATOM 0 H GLN A 96 6.105 -7.113 -0.702 1.00 0.00 H new ATOM 0 HA GLN A 96 8.823 -6.747 -1.286 1.00 0.00 H new ATOM 0 HB2 GLN A 96 8.018 -6.801 -3.655 1.00 0.00 H new ATOM 0 HB3 GLN A 96 7.410 -8.121 -2.675 1.00 0.00 H new ATOM 0 HG2 GLN A 96 5.250 -7.451 -2.865 1.00 0.00 H new ATOM 0 HG3 GLN A 96 5.648 -5.753 -2.693 1.00 0.00 H new ATOM 0 HE21 GLN A 96 3.950 -7.420 -4.646 1.00 0.00 H new ATOM 0 HE22 GLN A 96 4.468 -6.854 -6.238 1.00 0.00 H new ATOM 1413 N LYS A 97 6.980 -4.072 -1.528 1.00 0.00 N ATOM 1414 CA LYS A 97 7.013 -2.629 -1.738 1.00 0.00 C ATOM 1415 C LYS A 97 7.362 -1.897 -0.447 1.00 0.00 C ATOM 1416 O LYS A 97 6.881 -0.791 -0.199 1.00 0.00 O ATOM 1417 CB LYS A 97 5.662 -2.142 -2.266 1.00 0.00 C ATOM 1418 CG LYS A 97 5.180 -2.897 -3.495 1.00 0.00 C ATOM 1419 CD LYS A 97 5.295 -2.050 -4.754 1.00 0.00 C ATOM 1420 CE LYS A 97 3.943 -1.500 -5.180 1.00 0.00 C ATOM 1421 NZ LYS A 97 3.743 -0.099 -4.718 1.00 0.00 N ATOM 0 H LYS A 97 6.106 -4.421 -1.134 1.00 0.00 H new ATOM 0 HA LYS A 97 7.786 -2.411 -2.475 1.00 0.00 H new ATOM 0 HB2 LYS A 97 4.917 -2.237 -1.476 1.00 0.00 H new ATOM 0 HB3 LYS A 97 5.737 -1.082 -2.507 1.00 0.00 H new ATOM 0 HG2 LYS A 97 5.765 -3.809 -3.615 1.00 0.00 H new ATOM 0 HG3 LYS A 97 4.143 -3.200 -3.353 1.00 0.00 H new ATOM 0 HD2 LYS A 97 5.985 -1.225 -4.577 1.00 0.00 H new ATOM 0 HD3 LYS A 97 5.716 -2.650 -5.561 1.00 0.00 H new ATOM 0 HE2 LYS A 97 3.861 -1.539 -6.266 1.00 0.00 H new ATOM 0 HE3 LYS A 97 3.151 -2.132 -4.778 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 2.810 0.239 -5.029 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 3.796 -0.065 -3.680 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 4.484 0.509 -5.122 1.00 0.00 H new ATOM 1435 N ILE A 98 8.201 -2.521 0.374 1.00 0.00 N ATOM 1436 CA ILE A 98 8.616 -1.928 1.640 1.00 0.00 C ATOM 1437 C ILE A 98 10.129 -1.754 1.696 1.00 0.00 C ATOM 1438 O ILE A 98 10.864 -2.704 1.964 1.00 0.00 O ATOM 1439 CB ILE A 98 8.164 -2.788 2.837 1.00 0.00 C ATOM 1440 CG1 ILE A 98 6.686 -3.157 2.702 1.00 0.00 C ATOM 1441 CG2 ILE A 98 8.414 -2.049 4.144 1.00 0.00 C ATOM 1442 CD1 ILE A 98 5.770 -1.957 2.599 1.00 0.00 C ATOM 0 H ILE A 98 8.607 -3.437 0.185 1.00 0.00 H new ATOM 0 HA ILE A 98 8.139 -0.950 1.703 1.00 0.00 H new ATOM 0 HB ILE A 98 8.748 -3.708 2.844 1.00 0.00 H new ATOM 0 HG12 ILE A 98 6.555 -3.781 1.818 1.00 0.00 H new ATOM 0 HG13 ILE A 98 6.390 -3.757 3.562 1.00 0.00 H new ATOM 0 HG21 ILE A 98 8.090 -2.669 4.980 1.00 0.00 H new ATOM 0 HG22 ILE A 98 9.478 -1.834 4.243 1.00 0.00 H new ATOM 0 HG23 ILE A 98 7.853 -1.114 4.146 1.00 0.00 H new ATOM 0 HD11 ILE A 98 4.738 -2.294 2.506 1.00 0.00 H new ATOM 0 HD12 ILE A 98 5.872 -1.344 3.494 1.00 0.00 H new ATOM 0 HD13 ILE A 98 6.040 -1.368 1.723 1.00 0.00 H new ATOM 1454 N SER A 99 10.588 -0.533 1.442 1.00 0.00 N ATOM 1455 CA SER A 99 12.016 -0.233 1.463 1.00 0.00 C ATOM 1456 C SER A 99 12.323 0.880 2.459 1.00 0.00 C ATOM 1457 O SER A 99 11.416 1.521 2.989 1.00 0.00 O ATOM 1458 CB SER A 99 12.495 0.169 0.067 1.00 0.00 C ATOM 1459 OG SER A 99 11.749 -0.493 -0.939 1.00 0.00 O ATOM 0 H SER A 99 9.993 0.265 1.219 1.00 0.00 H new ATOM 0 HA SER A 99 12.546 -1.132 1.776 1.00 0.00 H new ATOM 0 HB2 SER A 99 12.400 1.248 -0.057 1.00 0.00 H new ATOM 0 HB3 SER A 99 13.552 -0.073 -0.042 1.00 0.00 H new ATOM 0 HG SER A 99 12.074 -0.218 -1.822 1.00 0.00 H new ATOM 1465 N HIS A 100 13.609 1.106 2.708 1.00 0.00 N ATOM 1466 CA HIS A 100 14.037 2.143 3.640 1.00 0.00 C ATOM 1467 C HIS A 100 14.185 3.484 2.930 1.00 0.00 C ATOM 1468 O HIS A 100 14.672 3.549 1.801 1.00 0.00 O ATOM 1469 CB HIS A 100 15.360 1.751 4.299 1.00 0.00 C ATOM 1470 CG HIS A 100 15.217 0.692 5.346 1.00 0.00 C ATOM 1471 ND1 HIS A 100 14.883 -0.616 5.075 1.00 0.00 N ATOM 1472 CD2 HIS A 100 15.371 0.767 6.694 1.00 0.00 C ATOM 1473 CE1 HIS A 100 14.843 -1.280 6.238 1.00 0.00 C ATOM 1474 NE2 HIS A 100 15.133 -0.486 7.251 1.00 0.00 N ATOM 0 H HIS A 100 14.373 0.585 2.277 1.00 0.00 H new ATOM 0 HA HIS A 100 13.272 2.243 4.410 1.00 0.00 H new ATOM 0 HB2 HIS A 100 16.049 1.400 3.531 1.00 0.00 H new ATOM 0 HB3 HIS A 100 15.809 2.637 4.749 1.00 0.00 H new ATOM 0 HD2 HIS A 100 15.636 1.657 7.245 1.00 0.00 H new ATOM 0 HE1 HIS A 100 14.604 -2.329 6.334 1.00 0.00 H new ATOM 0 HE2 HIS A 100 15.174 -0.738 8.238 1.00 0.00 H new ATOM 1482 N ILE A 101 13.762 4.552 3.599 1.00 0.00 N ATOM 1483 CA ILE A 101 13.849 5.892 3.032 1.00 0.00 C ATOM 1484 C ILE A 101 15.259 6.461 3.178 1.00 0.00 C ATOM 1485 O ILE A 101 15.751 6.636 4.293 1.00 0.00 O ATOM 1486 CB ILE A 101 12.848 6.851 3.706 1.00 0.00 C ATOM 1487 CG1 ILE A 101 11.452 6.224 3.741 1.00 0.00 C ATOM 1488 CG2 ILE A 101 12.818 8.184 2.975 1.00 0.00 C ATOM 1489 CD1 ILE A 101 10.418 7.089 4.427 1.00 0.00 C ATOM 0 H ILE A 101 13.356 4.515 4.534 1.00 0.00 H new ATOM 0 HA ILE A 101 13.603 5.805 1.974 1.00 0.00 H new ATOM 0 HB ILE A 101 13.171 7.029 4.732 1.00 0.00 H new ATOM 0 HG12 ILE A 101 11.127 6.024 2.720 1.00 0.00 H new ATOM 0 HG13 ILE A 101 11.507 5.263 4.252 1.00 0.00 H new ATOM 0 HG21 ILE A 101 12.107 8.850 3.463 1.00 0.00 H new ATOM 0 HG22 ILE A 101 13.811 8.634 2.997 1.00 0.00 H new ATOM 0 HG23 ILE A 101 12.515 8.025 1.940 1.00 0.00 H new ATOM 0 HD11 ILE A 101 9.453 6.582 4.415 1.00 0.00 H new ATOM 0 HD12 ILE A 101 10.720 7.268 5.459 1.00 0.00 H new ATOM 0 HD13 ILE A 101 10.334 8.041 3.903 1.00 0.00 H new ATOM 1501 N PRO A 102 15.934 6.761 2.052 1.00 0.00 N ATOM 1502 CA PRO A 102 17.294 7.312 2.071 1.00 0.00 C ATOM 1503 C PRO A 102 17.407 8.548 2.958 1.00 0.00 C ATOM 1504 O PRO A 102 16.425 8.986 3.558 1.00 0.00 O ATOM 1505 CB PRO A 102 17.553 7.680 0.609 1.00 0.00 C ATOM 1506 CG PRO A 102 16.653 6.787 -0.173 1.00 0.00 C ATOM 1507 CD PRO A 102 15.429 6.588 0.677 1.00 0.00 C ATOM 0 HA PRO A 102 18.013 6.601 2.479 1.00 0.00 H new ATOM 0 HB2 PRO A 102 17.330 8.730 0.420 1.00 0.00 H new ATOM 0 HB3 PRO A 102 18.598 7.522 0.340 1.00 0.00 H new ATOM 0 HG2 PRO A 102 16.394 7.236 -1.132 1.00 0.00 H new ATOM 0 HG3 PRO A 102 17.138 5.835 -0.388 1.00 0.00 H new ATOM 0 HD2 PRO A 102 14.653 7.316 0.440 1.00 0.00 H new ATOM 0 HD3 PRO A 102 14.995 5.599 0.530 1.00 0.00 H new