USER MOD reduce.3.24.130724 H: found=0, std=0, add=496, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 497 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 64 GLN : amide:sc= -0.393! C(o=0.73!,f=-9.4!) USER MOD Set 1.2: A 77 ASN : amide:sc= 1.12 K(o=0.73,f=-1.5) USER MOD Set 2.1: A 34 THR OG1 : rot 133:sc= -0.547! USER MOD Set 2.2: A 80 HIS : no HE2:sc= -14.5! C(o=-15!,f=-28!) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 ASN : amide:sc= -0.601 X(o=-0.6,f=-0.17) USER MOD Single : A 39 MET CE :methyl -109:sc= -0.266 (180deg=-0.908) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 ASN :FLIP amide:sc= -1.98! C(o=-3!,f=-2!) USER MOD Single : A 51 THR OG1 : rot 180:sc= -0.0494 USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 THR OG1 : rot 73:sc= -5.05! USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 CYS SG : rot 180:sc= 0 USER MOD Single : A 65 THR OG1 : rot -130:sc= -0.0307 USER MOD Single : A 66 GLN : amide:sc= -0.213 X(o=-0.21,f=-0.0033) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 ASN : amide:sc= -0.297 X(o=-0.3,f=-0.1) USER MOD Single : A 74 TYR OH : rot 180:sc= 0 USER MOD Single : A 79 SER OG : rot -17:sc= 0.473! USER MOD Single : A 83 ASN : amide:sc= 0.00644 X(o=0.0064,f=0) USER MOD Single : A 84 LYS NZ :NH3+ -120:sc= -0.0823 (180deg=-0.599) USER MOD Single : A 86 GLN : amide:sc= -0.823 K(o=-0.82,f=-2.2) USER MOD ----------------------------------------------------------------- ATOM 353 N LEU A 21 0.377 -1.658 -6.246 1.00 0.00 N ATOM 354 CA LEU A 21 0.150 -0.695 -5.129 1.00 0.00 C ATOM 355 C LEU A 21 1.009 0.556 -5.327 1.00 0.00 C ATOM 356 O LEU A 21 2.212 0.478 -5.470 1.00 0.00 O ATOM 357 CB LEU A 21 0.575 -1.447 -3.866 1.00 0.00 C ATOM 358 CG LEU A 21 0.383 -0.549 -2.640 1.00 0.00 C ATOM 359 CD1 LEU A 21 1.515 0.477 -2.575 1.00 0.00 C ATOM 360 CD2 LEU A 21 -0.959 0.181 -2.746 1.00 0.00 C ATOM 0 HA LEU A 21 -0.886 -0.361 -5.074 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -0.015 -2.357 -3.758 1.00 0.00 H new ATOM 0 HB3 LEU A 21 1.619 -1.751 -3.946 1.00 0.00 H new ATOM 0 HG LEU A 21 0.395 -1.161 -1.738 1.00 0.00 H new ATOM 0 HD11 LEU A 21 1.378 1.116 -1.702 1.00 0.00 H new ATOM 0 HD12 LEU A 21 2.471 -0.041 -2.499 1.00 0.00 H new ATOM 0 HD13 LEU A 21 1.504 1.088 -3.477 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -1.096 0.820 -1.874 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -0.971 0.792 -3.649 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -1.767 -0.549 -2.791 1.00 0.00 H new ATOM 372 N ILE A 22 0.399 1.710 -5.336 1.00 0.00 N ATOM 373 CA ILE A 22 1.181 2.966 -5.526 1.00 0.00 C ATOM 374 C ILE A 22 1.479 3.613 -4.170 1.00 0.00 C ATOM 375 O ILE A 22 0.587 3.877 -3.389 1.00 0.00 O ATOM 376 CB ILE A 22 0.281 3.870 -6.367 1.00 0.00 C ATOM 377 CG1 ILE A 22 1.073 5.103 -6.811 1.00 0.00 C ATOM 378 CG2 ILE A 22 -0.922 4.313 -5.532 1.00 0.00 C ATOM 379 CD1 ILE A 22 1.217 5.095 -8.334 1.00 0.00 C ATOM 0 H ILE A 22 -0.606 1.838 -5.220 1.00 0.00 H new ATOM 0 HA ILE A 22 2.141 2.786 -6.009 1.00 0.00 H new ATOM 0 HB ILE A 22 -0.067 3.323 -7.243 1.00 0.00 H new ATOM 0 HG12 ILE A 22 0.564 6.011 -6.488 1.00 0.00 H new ATOM 0 HG13 ILE A 22 2.057 5.105 -6.342 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -1.564 4.958 -6.132 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -1.486 3.436 -5.212 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -0.575 4.861 -4.656 1.00 0.00 H new ATOM 0 HD11 ILE A 22 1.781 5.972 -8.651 1.00 0.00 H new ATOM 0 HD12 ILE A 22 1.744 4.193 -8.645 1.00 0.00 H new ATOM 0 HD13 ILE A 22 0.229 5.114 -8.793 1.00 0.00 H new ATOM 391 N ALA A 23 2.726 3.868 -3.885 1.00 0.00 N ATOM 392 CA ALA A 23 3.079 4.497 -2.579 1.00 0.00 C ATOM 393 C ALA A 23 3.573 5.930 -2.797 1.00 0.00 C ATOM 394 O ALA A 23 4.324 6.207 -3.710 1.00 0.00 O ATOM 395 CB ALA A 23 4.198 3.624 -2.011 1.00 0.00 C ATOM 0 H ALA A 23 3.516 3.669 -4.499 1.00 0.00 H new ATOM 0 HA ALA A 23 2.225 4.556 -1.904 1.00 0.00 H new ATOM 0 HB1 ALA A 23 4.515 4.021 -1.047 1.00 0.00 H new ATOM 0 HB2 ALA A 23 3.834 2.605 -1.882 1.00 0.00 H new ATOM 0 HB3 ALA A 23 5.043 3.623 -2.699 1.00 0.00 H new ATOM 401 N LYS A 24 3.156 6.843 -1.962 1.00 0.00 N ATOM 402 CA LYS A 24 3.601 8.257 -2.119 1.00 0.00 C ATOM 403 C LYS A 24 4.419 8.692 -0.899 1.00 0.00 C ATOM 404 O LYS A 24 4.080 8.388 0.227 1.00 0.00 O ATOM 405 CB LYS A 24 2.312 9.072 -2.219 1.00 0.00 C ATOM 406 CG LYS A 24 2.381 9.990 -3.441 1.00 0.00 C ATOM 407 CD LYS A 24 1.011 10.624 -3.683 1.00 0.00 C ATOM 408 CE LYS A 24 0.905 11.930 -2.891 1.00 0.00 C ATOM 409 NZ LYS A 24 1.275 12.997 -3.861 1.00 0.00 N ATOM 0 H LYS A 24 2.527 6.671 -1.178 1.00 0.00 H new ATOM 0 HA LYS A 24 4.237 8.394 -2.994 1.00 0.00 H new ATOM 0 HB2 LYS A 24 1.453 8.405 -2.300 1.00 0.00 H new ATOM 0 HB3 LYS A 24 2.172 9.664 -1.314 1.00 0.00 H new ATOM 0 HG2 LYS A 24 3.130 10.766 -3.284 1.00 0.00 H new ATOM 0 HG3 LYS A 24 2.690 9.422 -4.318 1.00 0.00 H new ATOM 0 HD2 LYS A 24 0.871 10.819 -4.746 1.00 0.00 H new ATOM 0 HD3 LYS A 24 0.222 9.937 -3.379 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -0.104 12.078 -2.507 1.00 0.00 H new ATOM 0 HE3 LYS A 24 1.576 11.927 -2.032 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 1.226 13.924 -3.392 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 2.243 12.833 -4.205 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 0.615 12.980 -4.664 1.00 0.00 H new ATOM 423 N VAL A 25 5.493 9.399 -1.115 1.00 0.00 N ATOM 424 CA VAL A 25 6.331 9.851 0.033 1.00 0.00 C ATOM 425 C VAL A 25 5.957 11.282 0.431 1.00 0.00 C ATOM 426 O VAL A 25 5.971 12.186 -0.380 1.00 0.00 O ATOM 427 CB VAL A 25 7.770 9.791 -0.480 1.00 0.00 C ATOM 428 CG1 VAL A 25 8.045 10.997 -1.380 1.00 0.00 C ATOM 429 CG2 VAL A 25 8.735 9.811 0.707 1.00 0.00 C ATOM 0 H VAL A 25 5.827 9.684 -2.036 1.00 0.00 H new ATOM 0 HA VAL A 25 6.189 9.231 0.918 1.00 0.00 H new ATOM 0 HB VAL A 25 7.913 8.873 -1.051 1.00 0.00 H new ATOM 0 HG11 VAL A 25 9.071 10.952 -1.745 1.00 0.00 H new ATOM 0 HG12 VAL A 25 7.358 10.983 -2.226 1.00 0.00 H new ATOM 0 HG13 VAL A 25 7.902 11.916 -0.811 1.00 0.00 H new ATOM 0 HG21 VAL A 25 9.761 9.768 0.342 1.00 0.00 H new ATOM 0 HG22 VAL A 25 8.591 10.728 1.278 1.00 0.00 H new ATOM 0 HG23 VAL A 25 8.542 8.951 1.348 1.00 0.00 H new ATOM 439 N GLU A 26 5.622 11.493 1.675 1.00 0.00 N ATOM 440 CA GLU A 26 5.246 12.866 2.123 1.00 0.00 C ATOM 441 C GLU A 26 5.809 13.141 3.521 1.00 0.00 C ATOM 442 O GLU A 26 6.159 12.233 4.248 1.00 0.00 O ATOM 443 CB GLU A 26 3.718 12.867 2.151 1.00 0.00 C ATOM 444 CG GLU A 26 3.198 14.229 1.685 1.00 0.00 C ATOM 445 CD GLU A 26 1.679 14.166 1.518 1.00 0.00 C ATOM 446 OE1 GLU A 26 0.990 14.190 2.525 1.00 0.00 O ATOM 447 OE2 GLU A 26 1.230 14.094 0.386 1.00 0.00 O ATOM 0 H GLU A 26 5.592 10.776 2.400 1.00 0.00 H new ATOM 0 HA GLU A 26 5.643 13.638 1.465 1.00 0.00 H new ATOM 0 HB2 GLU A 26 3.332 12.078 1.505 1.00 0.00 H new ATOM 0 HB3 GLU A 26 3.362 12.656 3.160 1.00 0.00 H new ATOM 0 HG2 GLU A 26 3.463 14.999 2.410 1.00 0.00 H new ATOM 0 HG3 GLU A 26 3.667 14.505 0.741 1.00 0.00 H new ATOM 511 N ILE A 32 9.838 12.177 3.917 1.00 0.00 N ATOM 512 CA ILE A 32 10.429 10.813 4.035 1.00 0.00 C ATOM 513 C ILE A 32 9.405 9.842 4.633 1.00 0.00 C ATOM 514 O ILE A 32 9.723 8.719 4.972 1.00 0.00 O ATOM 515 CB ILE A 32 11.639 10.982 4.959 1.00 0.00 C ATOM 516 CG1 ILE A 32 12.887 11.206 4.106 1.00 0.00 C ATOM 517 CG2 ILE A 32 11.832 9.720 5.803 1.00 0.00 C ATOM 518 CD1 ILE A 32 13.047 10.028 3.146 1.00 0.00 C ATOM 0 HA ILE A 32 10.719 10.399 3.069 1.00 0.00 H new ATOM 0 HB ILE A 32 11.474 11.834 5.618 1.00 0.00 H new ATOM 0 HG12 ILE A 32 12.800 12.138 3.548 1.00 0.00 H new ATOM 0 HG13 ILE A 32 13.767 11.296 4.742 1.00 0.00 H new ATOM 0 HG21 ILE A 32 12.694 9.848 6.457 1.00 0.00 H new ATOM 0 HG22 ILE A 32 10.941 9.546 6.407 1.00 0.00 H new ATOM 0 HG23 ILE A 32 11.998 8.865 5.147 1.00 0.00 H new ATOM 0 HD11 ILE A 32 13.935 10.177 2.532 1.00 0.00 H new ATOM 0 HD12 ILE A 32 13.151 9.105 3.717 1.00 0.00 H new ATOM 0 HD13 ILE A 32 12.169 9.960 2.504 1.00 0.00 H new ATOM 530 N LYS A 33 8.177 10.259 4.757 1.00 0.00 N ATOM 531 CA LYS A 33 7.145 9.350 5.324 1.00 0.00 C ATOM 532 C LYS A 33 6.362 8.692 4.187 1.00 0.00 C ATOM 533 O LYS A 33 6.257 9.233 3.104 1.00 0.00 O ATOM 534 CB LYS A 33 6.232 10.250 6.159 1.00 0.00 C ATOM 535 CG LYS A 33 5.521 9.408 7.222 1.00 0.00 C ATOM 536 CD LYS A 33 5.386 10.222 8.511 1.00 0.00 C ATOM 537 CE LYS A 33 4.510 11.449 8.252 1.00 0.00 C ATOM 538 NZ LYS A 33 5.138 12.543 9.043 1.00 0.00 N ATOM 0 H LYS A 33 7.844 11.186 4.491 1.00 0.00 H new ATOM 0 HA LYS A 33 7.577 8.550 5.926 1.00 0.00 H new ATOM 0 HB2 LYS A 33 6.816 11.038 6.634 1.00 0.00 H new ATOM 0 HB3 LYS A 33 5.499 10.739 5.517 1.00 0.00 H new ATOM 0 HG2 LYS A 33 4.536 9.107 6.864 1.00 0.00 H new ATOM 0 HG3 LYS A 33 6.083 8.494 7.414 1.00 0.00 H new ATOM 0 HD2 LYS A 33 4.946 9.608 9.297 1.00 0.00 H new ATOM 0 HD3 LYS A 33 6.370 10.532 8.862 1.00 0.00 H new ATOM 0 HE2 LYS A 33 4.480 11.696 7.191 1.00 0.00 H new ATOM 0 HE3 LYS A 33 3.482 11.274 8.568 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 4.593 13.420 8.917 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 5.146 12.283 10.050 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 6.114 12.692 8.716 1.00 0.00 H new ATOM 552 N THR A 34 5.820 7.524 4.410 1.00 0.00 N ATOM 553 CA THR A 34 5.062 6.850 3.316 1.00 0.00 C ATOM 554 C THR A 34 3.558 7.077 3.487 1.00 0.00 C ATOM 555 O THR A 34 2.970 6.673 4.466 1.00 0.00 O ATOM 556 CB THR A 34 5.413 5.367 3.448 1.00 0.00 C ATOM 557 OG1 THR A 34 6.605 5.102 2.722 1.00 0.00 O ATOM 558 CG2 THR A 34 4.275 4.510 2.887 1.00 0.00 C ATOM 0 H THR A 34 5.868 7.013 5.291 1.00 0.00 H new ATOM 0 HA THR A 34 5.321 7.240 2.332 1.00 0.00 H new ATOM 0 HB THR A 34 5.559 5.123 4.500 1.00 0.00 H new ATOM 0 HG1 THR A 34 7.218 4.579 3.279 1.00 0.00 H new ATOM 0 HG21 THR A 34 4.532 3.455 2.984 1.00 0.00 H new ATOM 0 HG22 THR A 34 3.359 4.713 3.442 1.00 0.00 H new ATOM 0 HG23 THR A 34 4.123 4.751 1.835 1.00 0.00 H new ATOM 566 N VAL A 35 2.930 7.715 2.539 1.00 0.00 N ATOM 567 CA VAL A 35 1.464 7.957 2.654 1.00 0.00 C ATOM 568 C VAL A 35 0.704 7.061 1.671 1.00 0.00 C ATOM 569 O VAL A 35 0.862 7.165 0.471 1.00 0.00 O ATOM 570 CB VAL A 35 1.273 9.430 2.296 1.00 0.00 C ATOM 571 CG1 VAL A 35 2.049 9.753 1.018 1.00 0.00 C ATOM 572 CG2 VAL A 35 -0.214 9.711 2.071 1.00 0.00 C ATOM 0 H VAL A 35 3.366 8.079 1.692 1.00 0.00 H new ATOM 0 HA VAL A 35 1.085 7.730 3.651 1.00 0.00 H new ATOM 0 HB VAL A 35 1.643 10.051 3.112 1.00 0.00 H new ATOM 0 HG11 VAL A 35 1.911 10.804 0.765 1.00 0.00 H new ATOM 0 HG12 VAL A 35 3.109 9.554 1.176 1.00 0.00 H new ATOM 0 HG13 VAL A 35 1.680 9.132 0.202 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -0.351 10.762 1.816 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -0.583 9.088 1.256 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -0.769 9.483 2.981 1.00 0.00 H new ATOM 582 N ILE A 36 -0.120 6.183 2.173 1.00 0.00 N ATOM 583 CA ILE A 36 -0.891 5.282 1.268 1.00 0.00 C ATOM 584 C ILE A 36 -2.288 5.859 1.012 1.00 0.00 C ATOM 585 O ILE A 36 -3.065 6.061 1.923 1.00 0.00 O ATOM 586 CB ILE A 36 -0.968 3.948 2.018 1.00 0.00 C ATOM 587 CG1 ILE A 36 -1.161 2.810 1.012 1.00 0.00 C ATOM 588 CG2 ILE A 36 -2.143 3.967 2.998 1.00 0.00 C ATOM 589 CD1 ILE A 36 0.184 2.469 0.366 1.00 0.00 C ATOM 0 H ILE A 36 -0.293 6.050 3.169 1.00 0.00 H new ATOM 0 HA ILE A 36 -0.423 5.166 0.290 1.00 0.00 H new ATOM 0 HB ILE A 36 -0.043 3.795 2.573 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -1.569 1.932 1.513 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -1.880 3.104 0.247 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -2.191 3.015 3.527 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -2.005 4.775 3.716 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -3.072 4.124 2.450 1.00 0.00 H new ATOM 0 HD11 ILE A 36 0.048 1.659 -0.351 1.00 0.00 H new ATOM 0 HD12 ILE A 36 0.574 3.347 -0.149 1.00 0.00 H new ATOM 0 HD13 ILE A 36 0.889 2.158 1.137 1.00 0.00 H new ATOM 601 N VAL A 37 -2.610 6.134 -0.223 1.00 0.00 N ATOM 602 CA VAL A 37 -3.954 6.703 -0.533 1.00 0.00 C ATOM 603 C VAL A 37 -4.892 5.613 -1.061 1.00 0.00 C ATOM 604 O VAL A 37 -6.098 5.718 -0.962 1.00 0.00 O ATOM 605 CB VAL A 37 -3.698 7.757 -1.609 1.00 0.00 C ATOM 606 CG1 VAL A 37 -4.990 8.525 -1.893 1.00 0.00 C ATOM 607 CG2 VAL A 37 -2.623 8.731 -1.121 1.00 0.00 C ATOM 0 H VAL A 37 -2.002 5.990 -1.029 1.00 0.00 H new ATOM 0 HA VAL A 37 -4.433 7.126 0.350 1.00 0.00 H new ATOM 0 HB VAL A 37 -3.360 7.268 -2.522 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -4.805 9.276 -2.661 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -5.756 7.832 -2.240 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -5.330 9.015 -0.981 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -2.439 9.484 -1.888 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -2.962 9.219 -0.207 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -1.701 8.185 -0.920 1.00 0.00 H new ATOM 617 N ASN A 38 -4.349 4.570 -1.627 1.00 0.00 N ATOM 618 CA ASN A 38 -5.214 3.480 -2.167 1.00 0.00 C ATOM 619 C ASN A 38 -5.439 2.397 -1.106 1.00 0.00 C ATOM 620 O ASN A 38 -6.076 1.393 -1.358 1.00 0.00 O ATOM 621 CB ASN A 38 -4.436 2.911 -3.353 1.00 0.00 C ATOM 622 CG ASN A 38 -5.211 3.178 -4.646 1.00 0.00 C ATOM 623 OD1 ASN A 38 -4.631 3.525 -5.655 1.00 0.00 O ATOM 624 ND2 ASN A 38 -6.508 3.029 -4.658 1.00 0.00 N ATOM 0 H ASN A 38 -3.346 4.425 -1.739 1.00 0.00 H new ATOM 0 HA ASN A 38 -6.199 3.845 -2.458 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -3.448 3.369 -3.407 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -4.284 1.840 -3.222 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -7.034 3.204 -5.514 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -6.996 2.738 -3.811 1.00 0.00 H new ATOM 631 N MET A 39 -4.920 2.589 0.075 1.00 0.00 N ATOM 632 CA MET A 39 -5.108 1.566 1.144 1.00 0.00 C ATOM 633 C MET A 39 -6.589 1.440 1.511 1.00 0.00 C ATOM 634 O MET A 39 -7.111 0.353 1.650 1.00 0.00 O ATOM 635 CB MET A 39 -4.305 2.086 2.337 1.00 0.00 C ATOM 636 CG MET A 39 -4.455 1.119 3.513 1.00 0.00 C ATOM 637 SD MET A 39 -3.601 -0.431 3.133 1.00 0.00 S ATOM 638 CE MET A 39 -1.983 0.033 3.799 1.00 0.00 C ATOM 0 H MET A 39 -4.375 3.407 0.347 1.00 0.00 H new ATOM 0 HA MET A 39 -4.777 0.577 0.826 1.00 0.00 H new ATOM 0 HB2 MET A 39 -3.254 2.186 2.066 1.00 0.00 H new ATOM 0 HB3 MET A 39 -4.656 3.078 2.621 1.00 0.00 H new ATOM 0 HG2 MET A 39 -4.040 1.563 4.418 1.00 0.00 H new ATOM 0 HG3 MET A 39 -5.510 0.927 3.707 1.00 0.00 H new ATOM 0 HE1 MET A 39 -1.281 0.181 2.979 1.00 0.00 H new ATOM 0 HE2 MET A 39 -2.076 0.958 4.368 1.00 0.00 H new ATOM 0 HE3 MET A 39 -1.617 -0.760 4.452 1.00 0.00 H new ATOM 648 N VAL A 40 -7.268 2.543 1.672 1.00 0.00 N ATOM 649 CA VAL A 40 -8.713 2.482 2.035 1.00 0.00 C ATOM 650 C VAL A 40 -9.501 1.723 0.963 1.00 0.00 C ATOM 651 O VAL A 40 -10.353 0.911 1.266 1.00 0.00 O ATOM 652 CB VAL A 40 -9.166 3.941 2.104 1.00 0.00 C ATOM 653 CG1 VAL A 40 -9.313 4.499 0.687 1.00 0.00 C ATOM 654 CG2 VAL A 40 -10.513 4.021 2.826 1.00 0.00 C ATOM 0 H VAL A 40 -6.885 3.483 1.568 1.00 0.00 H new ATOM 0 HA VAL A 40 -8.879 1.958 2.977 1.00 0.00 H new ATOM 0 HB VAL A 40 -8.425 4.526 2.648 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -9.636 5.539 0.737 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -8.354 4.441 0.172 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -10.054 3.915 0.141 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -10.838 5.060 2.876 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -11.253 3.435 2.281 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -10.409 3.624 3.836 1.00 0.00 H new ATOM 664 N ASP A 41 -9.223 1.978 -0.285 1.00 0.00 N ATOM 665 CA ASP A 41 -9.958 1.268 -1.370 1.00 0.00 C ATOM 666 C ASP A 41 -9.669 -0.235 -1.309 1.00 0.00 C ATOM 667 O ASP A 41 -10.567 -1.053 -1.337 1.00 0.00 O ATOM 668 CB ASP A 41 -9.418 1.866 -2.670 1.00 0.00 C ATOM 669 CG ASP A 41 -10.567 2.497 -3.459 1.00 0.00 C ATOM 670 OD1 ASP A 41 -11.582 2.795 -2.851 1.00 0.00 O ATOM 671 OD2 ASP A 41 -10.412 2.673 -4.655 1.00 0.00 O ATOM 0 H ASP A 41 -8.520 2.646 -0.601 1.00 0.00 H new ATOM 0 HA ASP A 41 -11.038 1.387 -1.284 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -8.659 2.617 -2.449 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -8.936 1.091 -3.266 1.00 0.00 H new ATOM 676 N VAL A 42 -8.420 -0.604 -1.227 1.00 0.00 N ATOM 677 CA VAL A 42 -8.072 -2.052 -1.165 1.00 0.00 C ATOM 678 C VAL A 42 -8.617 -2.674 0.125 1.00 0.00 C ATOM 679 O VAL A 42 -9.168 -3.757 0.117 1.00 0.00 O ATOM 680 CB VAL A 42 -6.544 -2.093 -1.178 1.00 0.00 C ATOM 681 CG1 VAL A 42 -6.068 -3.507 -0.840 1.00 0.00 C ATOM 682 CG2 VAL A 42 -6.036 -1.705 -2.568 1.00 0.00 C ATOM 0 H VAL A 42 -7.625 0.035 -1.200 1.00 0.00 H new ATOM 0 HA VAL A 42 -8.501 -2.616 -1.993 1.00 0.00 H new ATOM 0 HB VAL A 42 -6.156 -1.392 -0.439 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -4.978 -3.536 -0.849 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -6.430 -3.786 0.150 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -6.456 -4.208 -1.579 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -4.946 -1.734 -2.578 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -6.425 -2.406 -3.306 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -6.375 -0.698 -2.811 1.00 0.00 H new ATOM 692 N ALA A 43 -8.465 -1.999 1.231 1.00 0.00 N ATOM 693 CA ALA A 43 -8.975 -2.555 2.517 1.00 0.00 C ATOM 694 C ALA A 43 -10.483 -2.791 2.431 1.00 0.00 C ATOM 695 O ALA A 43 -11.007 -3.736 2.986 1.00 0.00 O ATOM 696 CB ALA A 43 -8.660 -1.490 3.567 1.00 0.00 C ATOM 0 H ALA A 43 -8.011 -1.088 1.300 1.00 0.00 H new ATOM 0 HA ALA A 43 -8.516 -3.513 2.760 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -9.007 -1.828 4.544 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -7.584 -1.321 3.603 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -9.165 -0.560 3.305 1.00 0.00 H new ATOM 702 N LYS A 44 -11.183 -1.939 1.738 1.00 0.00 N ATOM 703 CA LYS A 44 -12.657 -2.115 1.613 1.00 0.00 C ATOM 704 C LYS A 44 -12.970 -3.483 1.004 1.00 0.00 C ATOM 705 O LYS A 44 -13.770 -4.237 1.521 1.00 0.00 O ATOM 706 CB LYS A 44 -13.114 -0.992 0.681 1.00 0.00 C ATOM 707 CG LYS A 44 -14.518 -0.536 1.082 1.00 0.00 C ATOM 708 CD LYS A 44 -15.316 -0.175 -0.172 1.00 0.00 C ATOM 709 CE LYS A 44 -15.475 -1.418 -1.051 1.00 0.00 C ATOM 710 NZ LYS A 44 -16.944 -1.570 -1.237 1.00 0.00 N ATOM 0 H LYS A 44 -10.799 -1.128 1.252 1.00 0.00 H new ATOM 0 HA LYS A 44 -13.164 -2.071 2.577 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -12.419 -0.154 0.735 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -13.114 -1.340 -0.352 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -15.025 -1.328 1.633 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -14.456 0.326 1.747 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -16.295 0.214 0.107 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -14.806 0.613 -0.726 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -14.966 -1.294 -2.007 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -15.044 -2.298 -0.573 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -17.134 -2.403 -1.830 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -17.400 -1.693 -0.311 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -17.325 -0.720 -1.700 1.00 0.00 H new ATOM 724 N ALA A 45 -12.339 -3.810 -0.090 1.00 0.00 N ATOM 725 CA ALA A 45 -12.593 -5.133 -0.729 1.00 0.00 C ATOM 726 C ALA A 45 -11.915 -6.243 0.077 1.00 0.00 C ATOM 727 O ALA A 45 -12.225 -7.409 -0.066 1.00 0.00 O ATOM 728 CB ALA A 45 -11.974 -5.025 -2.123 1.00 0.00 C ATOM 0 H ALA A 45 -11.659 -3.219 -0.569 1.00 0.00 H new ATOM 0 HA ALA A 45 -13.655 -5.375 -0.775 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -12.119 -5.963 -2.659 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -12.453 -4.215 -2.672 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -10.907 -4.821 -2.033 1.00 0.00 H new ATOM 734 N LEU A 46 -10.986 -5.887 0.923 1.00 0.00 N ATOM 735 CA LEU A 46 -10.283 -6.917 1.740 1.00 0.00 C ATOM 736 C LEU A 46 -11.108 -7.265 2.983 1.00 0.00 C ATOM 737 O LEU A 46 -10.711 -8.073 3.798 1.00 0.00 O ATOM 738 CB LEU A 46 -8.958 -6.266 2.137 1.00 0.00 C ATOM 739 CG LEU A 46 -8.177 -7.209 3.051 1.00 0.00 C ATOM 740 CD1 LEU A 46 -6.676 -6.986 2.853 1.00 0.00 C ATOM 741 CD2 LEU A 46 -8.546 -6.923 4.507 1.00 0.00 C ATOM 0 H LEU A 46 -10.683 -4.926 1.084 1.00 0.00 H new ATOM 0 HA LEU A 46 -10.133 -7.848 1.193 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -8.372 -6.038 1.247 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -9.144 -5.321 2.647 1.00 0.00 H new ATOM 0 HG LEU A 46 -8.425 -8.242 2.807 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -6.119 -7.659 3.505 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -6.412 -7.186 1.815 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -6.426 -5.954 3.098 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -7.990 -7.594 5.162 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -8.296 -5.890 4.750 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -9.615 -7.080 4.649 1.00 0.00 H new ATOM 753 N ASN A 47 -12.257 -6.659 3.128 1.00 0.00 N ATOM 754 CA ASN A 47 -13.122 -6.947 4.313 1.00 0.00 C ATOM 755 C ASN A 47 -12.540 -6.298 5.573 1.00 0.00 C ATOM 756 O ASN A 47 -13.147 -5.433 6.173 1.00 0.00 O ATOM 757 CB ASN A 47 -13.136 -8.472 4.451 1.00 0.00 C ATOM 758 CG ASN A 47 -13.208 -9.114 3.064 1.00 0.00 C ATOM 759 OD1 ASN A 47 -13.830 -8.488 2.101 1.00 0.00 O flip ATOM 760 ND2 ASN A 47 -12.696 -10.195 2.855 1.00 0.00 N flip ATOM 0 H ASN A 47 -12.636 -5.974 2.474 1.00 0.00 H new ATOM 0 HA ASN A 47 -14.127 -6.545 4.186 1.00 0.00 H new ATOM 0 HB2 ASN A 47 -12.239 -8.808 4.972 1.00 0.00 H new ATOM 0 HB3 ASN A 47 -13.990 -8.785 5.052 1.00 0.00 H new ATOM 0 HD21 ASN A 47 -12.210 -10.683 3.607 1.00 0.00 H new ATOM 0 HD22 ASN A 47 -12.751 -10.615 1.927 1.00 0.00 H new ATOM 767 N ARG A 48 -11.370 -6.709 5.983 1.00 0.00 N ATOM 768 CA ARG A 48 -10.761 -6.112 7.206 1.00 0.00 C ATOM 769 C ARG A 48 -10.180 -4.730 6.889 1.00 0.00 C ATOM 770 O ARG A 48 -9.845 -4.442 5.758 1.00 0.00 O ATOM 771 CB ARG A 48 -9.649 -7.081 7.612 1.00 0.00 C ATOM 772 CG ARG A 48 -10.268 -8.394 8.093 1.00 0.00 C ATOM 773 CD ARG A 48 -10.232 -8.448 9.622 1.00 0.00 C ATOM 774 NE ARG A 48 -10.037 -9.886 9.953 1.00 0.00 N ATOM 775 CZ ARG A 48 -8.889 -10.300 10.413 1.00 0.00 C ATOM 776 NH1 ARG A 48 -7.917 -10.575 9.586 1.00 0.00 N ATOM 777 NH2 ARG A 48 -8.711 -10.440 11.698 1.00 0.00 N ATOM 0 H ARG A 48 -10.812 -7.430 5.526 1.00 0.00 H new ATOM 0 HA ARG A 48 -11.491 -5.974 8.003 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -8.987 -7.267 6.766 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -9.040 -6.642 8.403 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -11.296 -8.474 7.740 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -9.721 -9.240 7.676 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -9.421 -7.838 10.019 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -11.158 -8.066 10.052 1.00 0.00 H new ATOM 0 HE ARG A 48 -10.802 -10.548 9.820 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -8.056 -10.466 8.581 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -7.019 -10.899 9.944 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -9.470 -10.226 12.344 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -7.813 -10.764 12.056 1.00 0.00 H new ATOM 791 N PRO A 49 -10.088 -3.920 7.908 1.00 0.00 N ATOM 792 CA PRO A 49 -9.545 -2.549 7.747 1.00 0.00 C ATOM 793 C PRO A 49 -8.028 -2.593 7.540 1.00 0.00 C ATOM 794 O PRO A 49 -7.378 -3.549 7.913 1.00 0.00 O ATOM 795 CB PRO A 49 -9.893 -1.868 9.067 1.00 0.00 C ATOM 796 CG PRO A 49 -10.020 -2.983 10.056 1.00 0.00 C ATOM 797 CD PRO A 49 -10.474 -4.202 9.295 1.00 0.00 C ATOM 0 HA PRO A 49 -9.954 -2.027 6.882 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -9.116 -1.163 9.364 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -10.822 -1.304 8.987 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -9.066 -3.170 10.550 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -10.737 -2.726 10.835 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -9.993 -5.107 9.667 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -11.550 -4.352 9.387 1.00 0.00 H new ATOM 805 N PRO A 50 -7.518 -1.549 6.948 1.00 0.00 N ATOM 806 CA PRO A 50 -6.063 -1.458 6.682 1.00 0.00 C ATOM 807 C PRO A 50 -5.308 -1.111 7.968 1.00 0.00 C ATOM 808 O PRO A 50 -4.149 -1.439 8.128 1.00 0.00 O ATOM 809 CB PRO A 50 -5.955 -0.323 5.669 1.00 0.00 C ATOM 810 CG PRO A 50 -7.170 0.522 5.895 1.00 0.00 C ATOM 811 CD PRO A 50 -8.243 -0.367 6.472 1.00 0.00 C ATOM 0 HA PRO A 50 -5.634 -2.391 6.317 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -5.042 0.253 5.819 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -5.926 -0.707 4.649 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -6.945 1.342 6.577 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -7.505 0.969 4.959 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -8.774 0.128 7.285 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -8.986 -0.632 5.720 1.00 0.00 H new ATOM 819 N THR A 51 -5.957 -0.447 8.884 1.00 0.00 N ATOM 820 CA THR A 51 -5.282 -0.073 10.159 1.00 0.00 C ATOM 821 C THR A 51 -4.825 -1.327 10.911 1.00 0.00 C ATOM 822 O THR A 51 -3.943 -1.275 11.744 1.00 0.00 O ATOM 823 CB THR A 51 -6.345 0.679 10.962 1.00 0.00 C ATOM 824 OG1 THR A 51 -7.560 -0.058 10.940 1.00 0.00 O ATOM 825 CG2 THR A 51 -6.571 2.060 10.344 1.00 0.00 C ATOM 0 H THR A 51 -6.928 -0.146 8.804 1.00 0.00 H new ATOM 0 HA THR A 51 -4.392 0.533 9.991 1.00 0.00 H new ATOM 0 HB THR A 51 -6.009 0.796 11.992 1.00 0.00 H new ATOM 0 HG1 THR A 51 -8.242 0.421 11.455 1.00 0.00 H new ATOM 0 HG21 THR A 51 -7.328 2.595 10.917 1.00 0.00 H new ATOM 0 HG22 THR A 51 -5.638 2.623 10.361 1.00 0.00 H new ATOM 0 HG23 THR A 51 -6.908 1.947 9.314 1.00 0.00 H new ATOM 833 N TYR A 52 -5.422 -2.453 10.629 1.00 0.00 N ATOM 834 CA TYR A 52 -5.021 -3.705 11.334 1.00 0.00 C ATOM 835 C TYR A 52 -3.749 -4.292 10.712 1.00 0.00 C ATOM 836 O TYR A 52 -2.756 -4.474 11.388 1.00 0.00 O ATOM 837 CB TYR A 52 -6.200 -4.660 11.145 1.00 0.00 C ATOM 838 CG TYR A 52 -6.753 -5.051 12.494 1.00 0.00 C ATOM 839 CD1 TYR A 52 -6.028 -5.915 13.324 1.00 0.00 C ATOM 840 CD2 TYR A 52 -7.990 -4.551 12.915 1.00 0.00 C ATOM 841 CE1 TYR A 52 -6.540 -6.278 14.574 1.00 0.00 C ATOM 842 CE2 TYR A 52 -8.503 -4.914 14.166 1.00 0.00 C ATOM 843 CZ TYR A 52 -7.777 -5.778 14.996 1.00 0.00 C ATOM 844 OH TYR A 52 -8.282 -6.136 16.229 1.00 0.00 O ATOM 0 H TYR A 52 -6.169 -2.561 9.942 1.00 0.00 H new ATOM 0 HA TYR A 52 -4.800 -3.528 12.387 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -6.976 -4.183 10.547 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -5.879 -5.548 10.601 1.00 0.00 H new ATOM 0 HD1 TYR A 52 -5.073 -6.301 12.999 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -8.549 -3.885 12.275 1.00 0.00 H new ATOM 0 HE1 TYR A 52 -5.980 -6.944 15.214 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -9.458 -4.528 14.491 1.00 0.00 H new ATOM 0 HH TYR A 52 -9.149 -5.700 16.366 1.00 0.00 H new ATOM 854 N PRO A 53 -3.826 -4.578 9.440 1.00 0.00 N ATOM 855 CA PRO A 53 -2.669 -5.163 8.718 1.00 0.00 C ATOM 856 C PRO A 53 -1.576 -4.113 8.496 1.00 0.00 C ATOM 857 O PRO A 53 -0.540 -4.396 7.925 1.00 0.00 O ATOM 858 CB PRO A 53 -3.268 -5.612 7.388 1.00 0.00 C ATOM 859 CG PRO A 53 -4.473 -4.747 7.193 1.00 0.00 C ATOM 860 CD PRO A 53 -4.987 -4.388 8.562 1.00 0.00 C ATOM 0 HA PRO A 53 -2.194 -5.976 9.267 1.00 0.00 H new ATOM 0 HB2 PRO A 53 -2.556 -5.486 6.572 1.00 0.00 H new ATOM 0 HB3 PRO A 53 -3.540 -6.667 7.414 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -4.216 -3.849 6.631 1.00 0.00 H new ATOM 0 HG3 PRO A 53 -5.237 -5.274 6.621 1.00 0.00 H new ATOM 0 HD2 PRO A 53 -5.348 -3.360 8.595 1.00 0.00 H new ATOM 0 HD3 PRO A 53 -5.819 -5.028 8.856 1.00 0.00 H new ATOM 868 N THR A 54 -1.792 -2.905 8.939 1.00 0.00 N ATOM 869 CA THR A 54 -0.758 -1.848 8.746 1.00 0.00 C ATOM 870 C THR A 54 0.409 -2.061 9.715 1.00 0.00 C ATOM 871 O THR A 54 1.524 -1.650 9.458 1.00 0.00 O ATOM 872 CB THR A 54 -1.471 -0.530 9.053 1.00 0.00 C ATOM 873 OG1 THR A 54 -2.516 -0.766 9.986 1.00 0.00 O ATOM 874 CG2 THR A 54 -2.058 0.050 7.765 1.00 0.00 C ATOM 0 H THR A 54 -2.637 -2.604 9.425 1.00 0.00 H new ATOM 0 HA THR A 54 -0.342 -1.862 7.739 1.00 0.00 H new ATOM 0 HB THR A 54 -0.758 0.178 9.474 1.00 0.00 H new ATOM 0 HG1 THR A 54 -2.132 -0.931 10.872 1.00 0.00 H new ATOM 0 HG21 THR A 54 -2.565 0.989 7.987 1.00 0.00 H new ATOM 0 HG22 THR A 54 -1.256 0.231 7.049 1.00 0.00 H new ATOM 0 HG23 THR A 54 -2.771 -0.656 7.340 1.00 0.00 H new ATOM 882 N LYS A 55 0.162 -2.697 10.827 1.00 0.00 N ATOM 883 CA LYS A 55 1.259 -2.931 11.811 1.00 0.00 C ATOM 884 C LYS A 55 2.223 -4.002 11.292 1.00 0.00 C ATOM 885 O LYS A 55 3.426 -3.848 11.350 1.00 0.00 O ATOM 886 CB LYS A 55 0.556 -3.414 13.079 1.00 0.00 C ATOM 887 CG LYS A 55 1.135 -2.687 14.295 1.00 0.00 C ATOM 888 CD LYS A 55 0.310 -1.431 14.581 1.00 0.00 C ATOM 889 CE LYS A 55 1.229 -0.325 15.105 1.00 0.00 C ATOM 890 NZ LYS A 55 0.717 -0.016 16.469 1.00 0.00 N ATOM 0 H LYS A 55 -0.750 -3.065 11.097 1.00 0.00 H new ATOM 0 HA LYS A 55 1.851 -2.033 11.987 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -0.515 -3.227 13.007 1.00 0.00 H new ATOM 0 HB3 LYS A 55 0.685 -4.491 13.191 1.00 0.00 H new ATOM 0 HG2 LYS A 55 1.127 -3.346 15.163 1.00 0.00 H new ATOM 0 HG3 LYS A 55 2.175 -2.417 14.109 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -0.194 -1.100 13.673 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -0.466 -1.652 15.314 1.00 0.00 H new ATOM 0 HE2 LYS A 55 2.267 -0.656 15.138 1.00 0.00 H new ATOM 0 HE3 LYS A 55 1.196 0.554 14.462 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 1.296 0.735 16.895 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -0.271 0.303 16.405 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 0.767 -0.870 17.060 1.00 0.00 H new ATOM 904 N TYR A 56 1.704 -5.086 10.784 1.00 0.00 N ATOM 905 CA TYR A 56 2.592 -6.164 10.261 1.00 0.00 C ATOM 906 C TYR A 56 3.330 -5.685 9.009 1.00 0.00 C ATOM 907 O TYR A 56 4.532 -5.829 8.888 1.00 0.00 O ATOM 908 CB TYR A 56 1.653 -7.322 9.921 1.00 0.00 C ATOM 909 CG TYR A 56 0.799 -7.646 11.123 1.00 0.00 C ATOM 910 CD1 TYR A 56 1.303 -7.445 12.415 1.00 0.00 C ATOM 911 CD2 TYR A 56 -0.495 -8.149 10.948 1.00 0.00 C ATOM 912 CE1 TYR A 56 0.512 -7.746 13.530 1.00 0.00 C ATOM 913 CE2 TYR A 56 -1.286 -8.450 12.063 1.00 0.00 C ATOM 914 CZ TYR A 56 -0.782 -8.249 13.355 1.00 0.00 C ATOM 915 OH TYR A 56 -1.562 -8.547 14.454 1.00 0.00 O ATOM 0 H TYR A 56 0.704 -5.272 10.708 1.00 0.00 H new ATOM 0 HA TYR A 56 3.354 -6.456 10.984 1.00 0.00 H new ATOM 0 HB2 TYR A 56 1.021 -7.055 9.074 1.00 0.00 H new ATOM 0 HB3 TYR A 56 2.230 -8.198 9.625 1.00 0.00 H new ATOM 0 HD1 TYR A 56 2.302 -7.058 12.551 1.00 0.00 H new ATOM 0 HD2 TYR A 56 -0.884 -8.305 9.952 1.00 0.00 H new ATOM 0 HE1 TYR A 56 0.901 -7.590 14.526 1.00 0.00 H new ATOM 0 HE2 TYR A 56 -2.285 -8.837 11.927 1.00 0.00 H new ATOM 0 HH TYR A 56 -2.432 -8.885 14.156 1.00 0.00 H new ATOM 925 N PHE A 57 2.619 -5.117 8.074 1.00 0.00 N ATOM 926 CA PHE A 57 3.279 -4.632 6.829 1.00 0.00 C ATOM 927 C PHE A 57 4.376 -3.622 7.171 1.00 0.00 C ATOM 928 O PHE A 57 5.445 -3.637 6.594 1.00 0.00 O ATOM 929 CB PHE A 57 2.165 -3.962 6.023 1.00 0.00 C ATOM 930 CG PHE A 57 1.277 -5.019 5.410 1.00 0.00 C ATOM 931 CD1 PHE A 57 1.840 -6.172 4.848 1.00 0.00 C ATOM 932 CD2 PHE A 57 -0.113 -4.846 5.402 1.00 0.00 C ATOM 933 CE1 PHE A 57 1.016 -7.149 4.280 1.00 0.00 C ATOM 934 CE2 PHE A 57 -0.938 -5.824 4.834 1.00 0.00 C ATOM 935 CZ PHE A 57 -0.373 -6.976 4.272 1.00 0.00 C ATOM 0 H PHE A 57 1.611 -4.968 8.118 1.00 0.00 H new ATOM 0 HA PHE A 57 3.754 -5.440 6.273 1.00 0.00 H new ATOM 0 HB2 PHE A 57 1.578 -3.309 6.668 1.00 0.00 H new ATOM 0 HB3 PHE A 57 2.594 -3.335 5.241 1.00 0.00 H new ATOM 0 HD1 PHE A 57 2.912 -6.307 4.853 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -0.549 -3.957 5.834 1.00 0.00 H new ATOM 0 HE1 PHE A 57 1.452 -8.037 3.847 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -2.010 -5.690 4.829 1.00 0.00 H new ATOM 0 HZ PHE A 57 -1.009 -7.730 3.833 1.00 0.00 H new ATOM 945 N GLY A 58 4.123 -2.743 8.102 1.00 0.00 N ATOM 946 CA GLY A 58 5.155 -1.734 8.474 1.00 0.00 C ATOM 947 C GLY A 58 6.421 -2.446 8.945 1.00 0.00 C ATOM 948 O GLY A 58 7.524 -1.999 8.703 1.00 0.00 O ATOM 0 H GLY A 58 3.247 -2.680 8.621 1.00 0.00 H new ATOM 0 HA2 GLY A 58 5.381 -1.097 7.619 1.00 0.00 H new ATOM 0 HA3 GLY A 58 4.776 -1.085 9.263 1.00 0.00 H new ATOM 952 N CYS A 59 6.276 -3.557 9.613 1.00 0.00 N ATOM 953 CA CYS A 59 7.477 -4.297 10.092 1.00 0.00 C ATOM 954 C CYS A 59 8.355 -4.693 8.902 1.00 0.00 C ATOM 955 O CYS A 59 9.567 -4.677 8.978 1.00 0.00 O ATOM 956 CB CYS A 59 6.924 -5.539 10.791 1.00 0.00 C ATOM 957 SG CYS A 59 7.723 -5.732 12.403 1.00 0.00 S ATOM 0 H CYS A 59 5.380 -3.984 9.847 1.00 0.00 H new ATOM 0 HA CYS A 59 8.096 -3.699 10.760 1.00 0.00 H new ATOM 0 HB2 CYS A 59 5.845 -5.448 10.917 1.00 0.00 H new ATOM 0 HB3 CYS A 59 7.100 -6.423 10.178 1.00 0.00 H new ATOM 0 HG CYS A 59 7.251 -6.787 12.998 1.00 0.00 H new ATOM 963 N GLU A 60 7.749 -5.053 7.803 1.00 0.00 N ATOM 964 CA GLU A 60 8.544 -5.456 6.605 1.00 0.00 C ATOM 965 C GLU A 60 9.338 -4.263 6.056 1.00 0.00 C ATOM 966 O GLU A 60 10.517 -4.367 5.783 1.00 0.00 O ATOM 967 CB GLU A 60 7.507 -5.924 5.584 1.00 0.00 C ATOM 968 CG GLU A 60 7.787 -7.379 5.202 1.00 0.00 C ATOM 969 CD GLU A 60 6.858 -8.303 5.991 1.00 0.00 C ATOM 970 OE1 GLU A 60 5.765 -8.560 5.514 1.00 0.00 O ATOM 971 OE2 GLU A 60 7.255 -8.738 7.059 1.00 0.00 O ATOM 0 H GLU A 60 6.737 -5.086 7.682 1.00 0.00 H new ATOM 0 HA GLU A 60 9.271 -6.233 6.839 1.00 0.00 H new ATOM 0 HB2 GLU A 60 6.504 -5.833 6.001 1.00 0.00 H new ATOM 0 HB3 GLU A 60 7.543 -5.291 4.697 1.00 0.00 H new ATOM 0 HG2 GLU A 60 7.635 -7.521 4.132 1.00 0.00 H new ATOM 0 HG3 GLU A 60 8.827 -7.627 5.412 1.00 0.00 H new ATOM 978 N LEU A 61 8.701 -3.137 5.882 1.00 0.00 N ATOM 979 CA LEU A 61 9.429 -1.947 5.338 1.00 0.00 C ATOM 980 C LEU A 61 10.286 -1.282 6.423 1.00 0.00 C ATOM 981 O LEU A 61 10.788 -0.191 6.241 1.00 0.00 O ATOM 982 CB LEU A 61 8.344 -0.978 4.840 1.00 0.00 C ATOM 983 CG LEU A 61 7.138 -0.993 5.784 1.00 0.00 C ATOM 984 CD1 LEU A 61 6.708 0.441 6.099 1.00 0.00 C ATOM 985 CD2 LEU A 61 5.978 -1.725 5.107 1.00 0.00 C ATOM 0 H LEU A 61 7.714 -2.986 6.090 1.00 0.00 H new ATOM 0 HA LEU A 61 10.109 -2.236 4.536 1.00 0.00 H new ATOM 0 HB2 LEU A 61 8.751 0.031 4.776 1.00 0.00 H new ATOM 0 HB3 LEU A 61 8.030 -1.259 3.835 1.00 0.00 H new ATOM 0 HG LEU A 61 7.411 -1.501 6.709 1.00 0.00 H new ATOM 0 HD11 LEU A 61 5.850 0.424 6.771 1.00 0.00 H new ATOM 0 HD12 LEU A 61 7.532 0.971 6.576 1.00 0.00 H new ATOM 0 HD13 LEU A 61 6.435 0.950 5.175 1.00 0.00 H new ATOM 0 HD21 LEU A 61 5.117 -1.738 5.775 1.00 0.00 H new ATOM 0 HD22 LEU A 61 5.713 -1.211 4.183 1.00 0.00 H new ATOM 0 HD23 LEU A 61 6.277 -2.748 4.880 1.00 0.00 H new ATOM 997 N GLY A 62 10.460 -1.924 7.548 1.00 0.00 N ATOM 998 CA GLY A 62 11.290 -1.314 8.629 1.00 0.00 C ATOM 999 C GLY A 62 10.631 -0.017 9.101 1.00 0.00 C ATOM 1000 O GLY A 62 11.214 0.764 9.827 1.00 0.00 O ATOM 0 H GLY A 62 10.066 -2.839 7.765 1.00 0.00 H new ATOM 0 HA2 GLY A 62 11.390 -2.009 9.463 1.00 0.00 H new ATOM 0 HA3 GLY A 62 12.296 -1.111 8.261 1.00 0.00 H new ATOM 1004 N ALA A 63 9.418 0.213 8.689 1.00 0.00 N ATOM 1005 CA ALA A 63 8.698 1.452 9.098 1.00 0.00 C ATOM 1006 C ALA A 63 7.452 1.071 9.897 1.00 0.00 C ATOM 1007 O ALA A 63 7.029 -0.067 9.881 1.00 0.00 O ATOM 1008 CB ALA A 63 8.325 2.131 7.784 1.00 0.00 C ATOM 0 H ALA A 63 8.888 -0.410 8.080 1.00 0.00 H new ATOM 0 HA ALA A 63 9.294 2.109 9.732 1.00 0.00 H new ATOM 0 HB1 ALA A 63 7.788 3.057 7.992 1.00 0.00 H new ATOM 0 HB2 ALA A 63 9.231 2.355 7.221 1.00 0.00 H new ATOM 0 HB3 ALA A 63 7.689 1.467 7.199 1.00 0.00 H new ATOM 1014 N GLN A 64 6.856 1.993 10.606 1.00 0.00 N ATOM 1015 CA GLN A 64 5.659 1.633 11.392 1.00 0.00 C ATOM 1016 C GLN A 64 4.405 2.148 10.697 1.00 0.00 C ATOM 1017 O GLN A 64 4.116 1.799 9.570 1.00 0.00 O ATOM 1018 CB GLN A 64 5.858 2.320 12.740 1.00 0.00 C ATOM 1019 CG GLN A 64 7.079 1.725 13.444 1.00 0.00 C ATOM 1020 CD GLN A 64 8.282 2.649 13.248 1.00 0.00 C ATOM 1021 OE1 GLN A 64 8.587 3.043 12.140 1.00 0.00 O ATOM 1022 NE2 GLN A 64 8.983 3.015 14.286 1.00 0.00 N ATOM 0 H GLN A 64 7.149 2.968 10.670 1.00 0.00 H new ATOM 0 HA GLN A 64 5.536 0.556 11.502 1.00 0.00 H new ATOM 0 HB2 GLN A 64 5.995 3.392 12.597 1.00 0.00 H new ATOM 0 HB3 GLN A 64 4.970 2.192 13.359 1.00 0.00 H new ATOM 0 HG2 GLN A 64 6.873 1.599 14.507 1.00 0.00 H new ATOM 0 HG3 GLN A 64 7.298 0.736 13.042 1.00 0.00 H new ATOM 0 HE21 GLN A 64 8.727 2.684 15.216 1.00 0.00 H new ATOM 0 HE22 GLN A 64 9.787 3.632 14.167 1.00 0.00 H new ATOM 1031 N THR A 65 3.653 2.965 11.366 1.00 0.00 N ATOM 1032 CA THR A 65 2.406 3.496 10.752 1.00 0.00 C ATOM 1033 C THR A 65 2.064 4.894 11.276 1.00 0.00 C ATOM 1034 O THR A 65 2.633 5.372 12.238 1.00 0.00 O ATOM 1035 CB THR A 65 1.317 2.510 11.154 1.00 0.00 C ATOM 1036 OG1 THR A 65 1.655 1.912 12.398 1.00 0.00 O ATOM 1037 CG2 THR A 65 1.177 1.428 10.083 1.00 0.00 C ATOM 0 H THR A 65 3.845 3.291 12.313 1.00 0.00 H new ATOM 0 HA THR A 65 2.512 3.593 9.672 1.00 0.00 H new ATOM 0 HB THR A 65 0.369 3.039 11.252 1.00 0.00 H new ATOM 0 HG1 THR A 65 1.573 0.938 12.326 1.00 0.00 H new ATOM 0 HG21 THR A 65 0.397 0.725 10.376 1.00 0.00 H new ATOM 0 HG22 THR A 65 0.912 1.890 9.132 1.00 0.00 H new ATOM 0 HG23 THR A 65 2.123 0.897 9.977 1.00 0.00 H new ATOM 1045 N GLN A 66 1.106 5.530 10.659 1.00 0.00 N ATOM 1046 CA GLN A 66 0.662 6.882 11.111 1.00 0.00 C ATOM 1047 C GLN A 66 -0.779 7.093 10.639 1.00 0.00 C ATOM 1048 O GLN A 66 -1.136 6.711 9.542 1.00 0.00 O ATOM 1049 CB GLN A 66 1.610 7.871 10.432 1.00 0.00 C ATOM 1050 CG GLN A 66 2.148 8.857 11.472 1.00 0.00 C ATOM 1051 CD GLN A 66 1.252 10.097 11.510 1.00 0.00 C ATOM 1052 OE1 GLN A 66 0.721 10.445 12.547 1.00 0.00 O ATOM 1053 NE2 GLN A 66 1.061 10.784 10.418 1.00 0.00 N ATOM 0 H GLN A 66 0.604 5.166 9.849 1.00 0.00 H new ATOM 0 HA GLN A 66 0.686 7.006 12.194 1.00 0.00 H new ATOM 0 HB2 GLN A 66 2.435 7.336 9.961 1.00 0.00 H new ATOM 0 HB3 GLN A 66 1.087 8.409 9.642 1.00 0.00 H new ATOM 0 HG2 GLN A 66 2.177 8.386 12.455 1.00 0.00 H new ATOM 0 HG3 GLN A 66 3.171 9.141 11.224 1.00 0.00 H new ATOM 0 HE21 GLN A 66 1.506 10.493 9.548 1.00 0.00 H new ATOM 0 HE22 GLN A 66 0.466 11.613 10.434 1.00 0.00 H new ATOM 1062 N PHE A 67 -1.622 7.667 11.452 1.00 0.00 N ATOM 1063 CA PHE A 67 -3.037 7.847 11.014 1.00 0.00 C ATOM 1064 C PHE A 67 -3.523 9.284 11.150 1.00 0.00 C ATOM 1065 O PHE A 67 -3.162 9.989 12.072 1.00 0.00 O ATOM 1066 CB PHE A 67 -3.829 6.910 11.915 1.00 0.00 C ATOM 1067 CG PHE A 67 -3.740 5.546 11.306 1.00 0.00 C ATOM 1068 CD1 PHE A 67 -4.221 5.355 10.014 1.00 0.00 C ATOM 1069 CD2 PHE A 67 -3.145 4.489 12.001 1.00 0.00 C ATOM 1070 CE1 PHE A 67 -4.111 4.113 9.404 1.00 0.00 C ATOM 1071 CE2 PHE A 67 -3.039 3.233 11.394 1.00 0.00 C ATOM 1072 CZ PHE A 67 -3.520 3.045 10.091 1.00 0.00 C ATOM 0 H PHE A 67 -1.400 8.014 12.385 1.00 0.00 H new ATOM 0 HA PHE A 67 -3.155 7.622 9.954 1.00 0.00 H new ATOM 0 HB2 PHE A 67 -3.421 6.909 12.926 1.00 0.00 H new ATOM 0 HB3 PHE A 67 -4.867 7.233 11.991 1.00 0.00 H new ATOM 0 HD1 PHE A 67 -4.681 6.176 9.484 1.00 0.00 H new ATOM 0 HD2 PHE A 67 -2.769 4.641 13.002 1.00 0.00 H new ATOM 0 HE1 PHE A 67 -4.481 3.970 8.400 1.00 0.00 H new ATOM 0 HE2 PHE A 67 -2.588 2.410 11.928 1.00 0.00 H new ATOM 0 HZ PHE A 67 -3.435 2.078 9.617 1.00 0.00 H new ATOM 1082 N ASP A 68 -4.376 9.714 10.254 1.00 0.00 N ATOM 1083 CA ASP A 68 -4.916 11.092 10.366 1.00 0.00 C ATOM 1084 C ASP A 68 -6.432 11.010 10.555 1.00 0.00 C ATOM 1085 O ASP A 68 -7.147 10.527 9.701 1.00 0.00 O ATOM 1086 CB ASP A 68 -4.568 11.774 9.043 1.00 0.00 C ATOM 1087 CG ASP A 68 -3.059 11.696 8.809 1.00 0.00 C ATOM 1088 OD1 ASP A 68 -2.510 10.617 8.963 1.00 0.00 O ATOM 1089 OD2 ASP A 68 -2.476 12.716 8.481 1.00 0.00 O ATOM 0 H ASP A 68 -4.716 9.172 9.459 1.00 0.00 H new ATOM 0 HA ASP A 68 -4.504 11.645 11.210 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -5.099 11.292 8.222 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -4.890 12.815 9.063 1.00 0.00 H new ATOM 1094 N VAL A 69 -6.927 11.472 11.669 1.00 0.00 N ATOM 1095 CA VAL A 69 -8.397 11.410 11.905 1.00 0.00 C ATOM 1096 C VAL A 69 -9.051 12.686 11.386 1.00 0.00 C ATOM 1097 O VAL A 69 -10.038 12.646 10.678 1.00 0.00 O ATOM 1098 CB VAL A 69 -8.552 11.279 13.419 1.00 0.00 C ATOM 1099 CG1 VAL A 69 -7.716 10.096 13.909 1.00 0.00 C ATOM 1100 CG2 VAL A 69 -8.069 12.562 14.099 1.00 0.00 C ATOM 0 H VAL A 69 -6.381 11.888 12.423 1.00 0.00 H new ATOM 0 HA VAL A 69 -8.876 10.578 11.388 1.00 0.00 H new ATOM 0 HB VAL A 69 -9.601 11.115 13.665 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -7.823 9.998 14.989 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -8.061 9.182 13.426 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -6.668 10.264 13.662 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -8.181 12.466 15.179 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -7.020 12.730 13.856 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -8.662 13.406 13.747 1.00 0.00 H new ATOM 1110 N LYS A 70 -8.490 13.820 11.699 1.00 0.00 N ATOM 1111 CA LYS A 70 -9.065 15.088 11.184 1.00 0.00 C ATOM 1112 C LYS A 70 -8.743 15.193 9.694 1.00 0.00 C ATOM 1113 O LYS A 70 -9.156 16.111 9.015 1.00 0.00 O ATOM 1114 CB LYS A 70 -8.367 16.197 11.973 1.00 0.00 C ATOM 1115 CG LYS A 70 -9.220 17.467 11.933 1.00 0.00 C ATOM 1116 CD LYS A 70 -10.048 17.566 13.216 1.00 0.00 C ATOM 1117 CE LYS A 70 -11.277 18.442 12.964 1.00 0.00 C ATOM 1118 NZ LYS A 70 -11.372 19.324 14.161 1.00 0.00 N ATOM 0 H LYS A 70 -7.662 13.921 12.286 1.00 0.00 H new ATOM 0 HA LYS A 70 -10.147 15.150 11.299 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -8.213 15.882 13.005 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -7.382 16.394 11.550 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -8.581 18.344 11.831 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -9.877 17.449 11.064 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -10.357 16.572 13.540 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -9.445 17.990 14.019 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -11.165 19.026 12.051 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -12.176 17.837 12.847 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -12.192 19.956 14.063 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -11.485 18.740 15.014 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -10.505 19.893 14.243 1.00 0.00 H new ATOM 1132 N ASN A 71 -7.998 14.244 9.187 1.00 0.00 N ATOM 1133 CA ASN A 71 -7.632 14.262 7.747 1.00 0.00 C ATOM 1134 C ASN A 71 -8.173 13.014 7.039 1.00 0.00 C ATOM 1135 O ASN A 71 -8.420 13.035 5.852 1.00 0.00 O ATOM 1136 CB ASN A 71 -6.103 14.267 7.728 1.00 0.00 C ATOM 1137 CG ASN A 71 -5.607 15.368 6.789 1.00 0.00 C ATOM 1138 OD1 ASN A 71 -4.722 15.146 5.986 1.00 0.00 O ATOM 1139 ND2 ASN A 71 -6.143 16.556 6.856 1.00 0.00 N ATOM 0 H ASN A 71 -7.627 13.454 9.716 1.00 0.00 H new ATOM 0 HA ASN A 71 -8.052 15.124 7.228 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -5.717 14.431 8.734 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -5.730 13.298 7.398 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -5.819 17.297 6.235 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -6.886 16.743 7.530 1.00 0.00 H new ATOM 1146 N ASP A 72 -8.356 11.924 7.751 1.00 0.00 N ATOM 1147 CA ASP A 72 -8.878 10.688 7.093 1.00 0.00 C ATOM 1148 C ASP A 72 -7.812 10.113 6.171 1.00 0.00 C ATOM 1149 O ASP A 72 -8.082 9.299 5.312 1.00 0.00 O ATOM 1150 CB ASP A 72 -10.061 11.156 6.267 1.00 0.00 C ATOM 1151 CG ASP A 72 -10.904 12.142 7.078 1.00 0.00 C ATOM 1152 OD1 ASP A 72 -10.911 12.027 8.293 1.00 0.00 O ATOM 1153 OD2 ASP A 72 -11.529 12.996 6.471 1.00 0.00 O ATOM 0 H ASP A 72 -8.167 11.840 8.750 1.00 0.00 H new ATOM 0 HA ASP A 72 -9.152 9.918 7.814 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -9.711 11.631 5.351 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -10.670 10.302 5.971 1.00 0.00 H new ATOM 1158 N ARG A 73 -6.603 10.543 6.348 1.00 0.00 N ATOM 1159 CA ARG A 73 -5.497 10.043 5.490 1.00 0.00 C ATOM 1160 C ARG A 73 -4.530 9.239 6.345 1.00 0.00 C ATOM 1161 O ARG A 73 -4.103 9.677 7.394 1.00 0.00 O ATOM 1162 CB ARG A 73 -4.819 11.297 4.939 1.00 0.00 C ATOM 1163 CG ARG A 73 -5.844 12.141 4.178 1.00 0.00 C ATOM 1164 CD ARG A 73 -5.742 11.841 2.681 1.00 0.00 C ATOM 1165 NE ARG A 73 -7.152 11.801 2.201 1.00 0.00 N ATOM 1166 CZ ARG A 73 -7.700 12.871 1.696 1.00 0.00 C ATOM 1167 NH1 ARG A 73 -7.260 13.359 0.568 1.00 0.00 N ATOM 1168 NH2 ARG A 73 -8.689 13.455 2.318 1.00 0.00 N ATOM 0 H ARG A 73 -6.327 11.225 7.055 1.00 0.00 H new ATOM 0 HA ARG A 73 -5.843 9.394 4.686 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -4.388 11.878 5.754 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -3.999 11.019 4.277 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -6.850 11.921 4.536 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -5.665 13.201 4.360 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -5.170 12.610 2.162 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -5.237 10.892 2.502 1.00 0.00 H new ATOM 0 HE ARG A 73 -7.689 10.936 2.267 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -6.488 12.903 0.082 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -7.689 14.196 0.173 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -9.033 13.074 3.199 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -9.117 14.292 1.922 1.00 0.00 H new ATOM 1182 N TYR A 74 -4.193 8.058 5.923 1.00 0.00 N ATOM 1183 CA TYR A 74 -3.273 7.230 6.740 1.00 0.00 C ATOM 1184 C TYR A 74 -1.903 7.120 6.072 1.00 0.00 C ATOM 1185 O TYR A 74 -1.780 6.792 4.908 1.00 0.00 O ATOM 1186 CB TYR A 74 -3.968 5.874 6.838 1.00 0.00 C ATOM 1187 CG TYR A 74 -5.421 6.092 7.212 1.00 0.00 C ATOM 1188 CD1 TYR A 74 -5.811 7.272 7.868 1.00 0.00 C ATOM 1189 CD2 TYR A 74 -6.380 5.122 6.896 1.00 0.00 C ATOM 1190 CE1 TYR A 74 -7.155 7.479 8.205 1.00 0.00 C ATOM 1191 CE2 TYR A 74 -7.724 5.331 7.232 1.00 0.00 C ATOM 1192 CZ TYR A 74 -8.111 6.509 7.885 1.00 0.00 C ATOM 1193 OH TYR A 74 -9.436 6.711 8.215 1.00 0.00 O ATOM 0 H TYR A 74 -4.512 7.632 5.053 1.00 0.00 H new ATOM 0 HA TYR A 74 -3.082 7.658 7.724 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -3.899 5.346 5.887 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -3.476 5.251 7.585 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -5.073 8.021 8.113 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -6.084 4.213 6.393 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -7.452 8.386 8.711 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -8.463 4.583 6.987 1.00 0.00 H new ATOM 0 HH TYR A 74 -9.967 5.942 7.921 1.00 0.00 H new ATOM 1203 N ILE A 75 -0.877 7.403 6.818 1.00 0.00 N ATOM 1204 CA ILE A 75 0.511 7.342 6.282 1.00 0.00 C ATOM 1205 C ILE A 75 1.370 6.500 7.224 1.00 0.00 C ATOM 1206 O ILE A 75 1.111 6.441 8.404 1.00 0.00 O ATOM 1207 CB ILE A 75 0.994 8.793 6.263 1.00 0.00 C ATOM 1208 CG1 ILE A 75 0.066 9.625 5.374 1.00 0.00 C ATOM 1209 CG2 ILE A 75 2.418 8.852 5.707 1.00 0.00 C ATOM 1210 CD1 ILE A 75 0.438 11.104 5.490 1.00 0.00 C ATOM 0 H ILE A 75 -0.941 7.680 7.798 1.00 0.00 H new ATOM 0 HA ILE A 75 0.567 6.891 5.291 1.00 0.00 H new ATOM 0 HB ILE A 75 0.984 9.192 7.277 1.00 0.00 H new ATOM 0 HG12 ILE A 75 0.149 9.299 4.337 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -0.972 9.476 5.673 1.00 0.00 H new ATOM 0 HG21 ILE A 75 2.761 9.887 5.694 1.00 0.00 H new ATOM 0 HG22 ILE A 75 3.080 8.258 6.338 1.00 0.00 H new ATOM 0 HG23 ILE A 75 2.429 8.453 4.693 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -0.223 11.696 4.857 1.00 0.00 H new ATOM 0 HD12 ILE A 75 0.332 11.426 6.526 1.00 0.00 H new ATOM 0 HD13 ILE A 75 1.470 11.246 5.170 1.00 0.00 H new ATOM 1222 N VAL A 76 2.379 5.845 6.727 1.00 0.00 N ATOM 1223 CA VAL A 76 3.222 5.015 7.630 1.00 0.00 C ATOM 1224 C VAL A 76 4.604 5.647 7.744 1.00 0.00 C ATOM 1225 O VAL A 76 5.154 6.142 6.780 1.00 0.00 O ATOM 1226 CB VAL A 76 3.303 3.642 6.960 1.00 0.00 C ATOM 1227 CG1 VAL A 76 1.891 3.134 6.662 1.00 0.00 C ATOM 1228 CG2 VAL A 76 4.087 3.759 5.651 1.00 0.00 C ATOM 0 H VAL A 76 2.655 5.847 5.745 1.00 0.00 H new ATOM 0 HA VAL A 76 2.813 4.937 8.637 1.00 0.00 H new ATOM 0 HB VAL A 76 3.808 2.943 7.627 1.00 0.00 H new ATOM 0 HG11 VAL A 76 1.949 2.156 6.185 1.00 0.00 H new ATOM 0 HG12 VAL A 76 1.330 3.051 7.593 1.00 0.00 H new ATOM 0 HG13 VAL A 76 1.386 3.833 5.996 1.00 0.00 H new ATOM 0 HG21 VAL A 76 4.145 2.781 5.173 1.00 0.00 H new ATOM 0 HG22 VAL A 76 3.582 4.459 4.985 1.00 0.00 H new ATOM 0 HG23 VAL A 76 5.094 4.121 5.861 1.00 0.00 H new ATOM 1238 N ASN A 77 5.157 5.662 8.922 1.00 0.00 N ATOM 1239 CA ASN A 77 6.492 6.300 9.101 1.00 0.00 C ATOM 1240 C ASN A 77 7.551 5.575 8.282 1.00 0.00 C ATOM 1241 O ASN A 77 7.558 4.369 8.193 1.00 0.00 O ATOM 1242 CB ASN A 77 6.793 6.175 10.593 1.00 0.00 C ATOM 1243 CG ASN A 77 8.267 6.500 10.844 1.00 0.00 C ATOM 1244 OD1 ASN A 77 8.670 7.644 10.778 1.00 0.00 O ATOM 1245 ND2 ASN A 77 9.094 5.532 11.133 1.00 0.00 N ATOM 0 H ASN A 77 4.747 5.263 9.766 1.00 0.00 H new ATOM 0 HA ASN A 77 6.495 7.337 8.766 1.00 0.00 H new ATOM 0 HB2 ASN A 77 6.158 6.854 11.161 1.00 0.00 H new ATOM 0 HB3 ASN A 77 6.568 5.165 10.937 1.00 0.00 H new ATOM 0 HD21 ASN A 77 10.079 5.736 11.303 1.00 0.00 H new ATOM 0 HD22 ASN A 77 8.755 4.571 11.188 1.00 0.00 H new ATOM 1252 N GLY A 78 8.449 6.308 7.684 1.00 0.00 N ATOM 1253 CA GLY A 78 9.517 5.667 6.870 1.00 0.00 C ATOM 1254 C GLY A 78 9.210 5.859 5.388 1.00 0.00 C ATOM 1255 O GLY A 78 8.067 5.892 4.979 1.00 0.00 O ATOM 0 H GLY A 78 8.488 7.326 7.725 1.00 0.00 H new ATOM 0 HA2 GLY A 78 10.486 6.105 7.112 1.00 0.00 H new ATOM 0 HA3 GLY A 78 9.580 4.604 7.105 1.00 0.00 H new ATOM 1259 N SER A 79 10.223 5.986 4.578 1.00 0.00 N ATOM 1260 CA SER A 79 9.984 6.174 3.122 1.00 0.00 C ATOM 1261 C SER A 79 10.207 4.858 2.380 1.00 0.00 C ATOM 1262 O SER A 79 11.231 4.219 2.517 1.00 0.00 O ATOM 1263 CB SER A 79 11.003 7.217 2.683 1.00 0.00 C ATOM 1264 OG SER A 79 12.197 6.566 2.267 1.00 0.00 O ATOM 0 H SER A 79 11.203 5.968 4.861 1.00 0.00 H new ATOM 0 HA SER A 79 8.963 6.491 2.908 1.00 0.00 H new ATOM 0 HB2 SER A 79 10.599 7.815 1.866 1.00 0.00 H new ATOM 0 HB3 SER A 79 11.216 7.901 3.504 1.00 0.00 H new ATOM 0 HG SER A 79 12.202 5.646 2.604 1.00 0.00 H new ATOM 1270 N HIS A 80 9.251 4.448 1.598 1.00 0.00 N ATOM 1271 CA HIS A 80 9.400 3.167 0.847 1.00 0.00 C ATOM 1272 C HIS A 80 8.795 3.299 -0.552 1.00 0.00 C ATOM 1273 O HIS A 80 7.935 4.122 -0.793 1.00 0.00 O ATOM 1274 CB HIS A 80 8.632 2.123 1.665 1.00 0.00 C ATOM 1275 CG HIS A 80 8.609 2.523 3.116 1.00 0.00 C ATOM 1276 ND1 HIS A 80 7.499 3.110 3.701 1.00 0.00 N ATOM 1277 CD2 HIS A 80 9.552 2.430 4.110 1.00 0.00 C ATOM 1278 CE1 HIS A 80 7.797 3.348 4.992 1.00 0.00 C ATOM 1279 NE2 HIS A 80 9.037 2.952 5.294 1.00 0.00 N ATOM 0 H HIS A 80 8.372 4.942 1.444 1.00 0.00 H new ATOM 0 HA HIS A 80 10.446 2.890 0.718 1.00 0.00 H new ATOM 0 HB2 HIS A 80 7.613 2.031 1.288 1.00 0.00 H new ATOM 0 HB3 HIS A 80 9.102 1.146 1.556 1.00 0.00 H new ATOM 0 HD1 HIS A 80 6.616 3.323 3.237 1.00 0.00 H new ATOM 0 HD2 HIS A 80 10.542 2.015 3.992 1.00 0.00 H new ATOM 0 HE1 HIS A 80 7.117 3.803 5.697 1.00 0.00 H new ATOM 1287 N GLU A 81 9.231 2.485 -1.475 1.00 0.00 N ATOM 1288 CA GLU A 81 8.673 2.557 -2.855 1.00 0.00 C ATOM 1289 C GLU A 81 7.702 1.395 -3.082 1.00 0.00 C ATOM 1290 O GLU A 81 7.909 0.298 -2.603 1.00 0.00 O ATOM 1291 CB GLU A 81 9.883 2.441 -3.784 1.00 0.00 C ATOM 1292 CG GLU A 81 10.379 0.995 -3.803 1.00 0.00 C ATOM 1293 CD GLU A 81 11.902 0.974 -3.649 1.00 0.00 C ATOM 1294 OE1 GLU A 81 12.419 1.838 -2.959 1.00 0.00 O ATOM 1295 OE2 GLU A 81 12.524 0.097 -4.223 1.00 0.00 O ATOM 0 H GLU A 81 9.949 1.774 -1.333 1.00 0.00 H new ATOM 0 HA GLU A 81 8.119 3.478 -3.033 1.00 0.00 H new ATOM 0 HB2 GLU A 81 9.612 2.756 -4.792 1.00 0.00 H new ATOM 0 HB3 GLU A 81 10.679 3.105 -3.446 1.00 0.00 H new ATOM 0 HG2 GLU A 81 9.914 0.429 -2.996 1.00 0.00 H new ATOM 0 HG3 GLU A 81 10.091 0.513 -4.737 1.00 0.00 H new ATOM 1302 N ALA A 82 6.642 1.626 -3.804 1.00 0.00 N ATOM 1303 CA ALA A 82 5.659 0.533 -4.053 1.00 0.00 C ATOM 1304 C ALA A 82 6.367 -0.696 -4.627 1.00 0.00 C ATOM 1305 O ALA A 82 6.056 -1.820 -4.283 1.00 0.00 O ATOM 1306 CB ALA A 82 4.676 1.111 -5.071 1.00 0.00 C ATOM 0 H ALA A 82 6.413 2.523 -4.233 1.00 0.00 H new ATOM 0 HA ALA A 82 5.159 0.211 -3.140 1.00 0.00 H new ATOM 0 HB1 ALA A 82 3.917 0.365 -5.308 1.00 0.00 H new ATOM 0 HB2 ALA A 82 4.197 1.996 -4.652 1.00 0.00 H new ATOM 0 HB3 ALA A 82 5.212 1.385 -5.980 1.00 0.00 H new ATOM 1312 N ASN A 83 7.316 -0.495 -5.500 1.00 0.00 N ATOM 1313 CA ASN A 83 8.040 -1.657 -6.093 1.00 0.00 C ATOM 1314 C ASN A 83 8.654 -2.517 -4.988 1.00 0.00 C ATOM 1315 O ASN A 83 8.728 -3.725 -5.094 1.00 0.00 O ATOM 1316 CB ASN A 83 9.136 -1.038 -6.963 1.00 0.00 C ATOM 1317 CG ASN A 83 9.332 -1.888 -8.221 1.00 0.00 C ATOM 1318 OD1 ASN A 83 9.259 -1.385 -9.324 1.00 0.00 O ATOM 1319 ND2 ASN A 83 9.579 -3.164 -8.099 1.00 0.00 N ATOM 0 H ASN A 83 7.621 0.421 -5.828 1.00 0.00 H new ATOM 0 HA ASN A 83 7.380 -2.305 -6.669 1.00 0.00 H new ATOM 0 HB2 ASN A 83 8.864 -0.019 -7.239 1.00 0.00 H new ATOM 0 HB3 ASN A 83 10.069 -0.978 -6.403 1.00 0.00 H new ATOM 0 HD21 ASN A 83 9.711 -3.740 -8.931 1.00 0.00 H new ATOM 0 HD22 ASN A 83 9.640 -3.585 -7.172 1.00 0.00 H new ATOM 1326 N LYS A 84 9.095 -1.902 -3.928 1.00 0.00 N ATOM 1327 CA LYS A 84 9.706 -2.679 -2.812 1.00 0.00 C ATOM 1328 C LYS A 84 8.623 -3.439 -2.039 1.00 0.00 C ATOM 1329 O LYS A 84 8.773 -4.603 -1.728 1.00 0.00 O ATOM 1330 CB LYS A 84 10.369 -1.633 -1.915 1.00 0.00 C ATOM 1331 CG LYS A 84 10.840 -2.295 -0.619 1.00 0.00 C ATOM 1332 CD LYS A 84 11.927 -3.324 -0.936 1.00 0.00 C ATOM 1333 CE LYS A 84 13.304 -2.670 -0.802 1.00 0.00 C ATOM 1334 NZ LYS A 84 13.518 -2.525 0.665 1.00 0.00 N ATOM 0 H LYS A 84 9.059 -0.893 -3.785 1.00 0.00 H new ATOM 0 HA LYS A 84 10.420 -3.421 -3.170 1.00 0.00 H new ATOM 0 HB2 LYS A 84 11.215 -1.179 -2.432 1.00 0.00 H new ATOM 0 HB3 LYS A 84 9.665 -0.832 -1.691 1.00 0.00 H new ATOM 0 HG2 LYS A 84 11.227 -1.541 0.067 1.00 0.00 H new ATOM 0 HG3 LYS A 84 10.001 -2.779 -0.120 1.00 0.00 H new ATOM 0 HD2 LYS A 84 11.848 -4.173 -0.257 1.00 0.00 H new ATOM 0 HD3 LYS A 84 11.793 -3.711 -1.946 1.00 0.00 H new ATOM 0 HE2 LYS A 84 14.080 -3.287 -1.255 1.00 0.00 H new ATOM 0 HE3 LYS A 84 13.332 -1.702 -1.303 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 13.643 -1.520 0.900 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 12.693 -2.900 1.175 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 14.368 -3.055 0.946 1.00 0.00 H new ATOM 1348 N LEU A 85 7.537 -2.788 -1.727 1.00 0.00 N ATOM 1349 CA LEU A 85 6.445 -3.470 -0.971 1.00 0.00 C ATOM 1350 C LEU A 85 5.913 -4.665 -1.766 1.00 0.00 C ATOM 1351 O LEU A 85 5.690 -5.732 -1.230 1.00 0.00 O ATOM 1352 CB LEU A 85 5.353 -2.409 -0.813 1.00 0.00 C ATOM 1353 CG LEU A 85 5.700 -1.478 0.350 1.00 0.00 C ATOM 1354 CD1 LEU A 85 7.173 -1.074 0.268 1.00 0.00 C ATOM 1355 CD2 LEU A 85 4.826 -0.224 0.272 1.00 0.00 C ATOM 0 H LEU A 85 7.357 -1.812 -1.962 1.00 0.00 H new ATOM 0 HA LEU A 85 6.788 -3.854 -0.010 1.00 0.00 H new ATOM 0 HB2 LEU A 85 5.255 -1.834 -1.734 1.00 0.00 H new ATOM 0 HB3 LEU A 85 4.391 -2.888 -0.633 1.00 0.00 H new ATOM 0 HG LEU A 85 5.520 -1.995 1.292 1.00 0.00 H new ATOM 0 HD11 LEU A 85 7.415 -0.411 1.099 1.00 0.00 H new ATOM 0 HD12 LEU A 85 7.798 -1.965 0.321 1.00 0.00 H new ATOM 0 HD13 LEU A 85 7.357 -0.558 -0.674 1.00 0.00 H new ATOM 0 HD21 LEU A 85 5.071 0.442 1.099 1.00 0.00 H new ATOM 0 HD22 LEU A 85 5.009 0.289 -0.672 1.00 0.00 H new ATOM 0 HD23 LEU A 85 3.776 -0.508 0.333 1.00 0.00 H new ATOM 1367 N GLN A 86 5.701 -4.490 -3.040 1.00 0.00 N ATOM 1368 CA GLN A 86 5.177 -5.609 -3.874 1.00 0.00 C ATOM 1369 C GLN A 86 6.227 -6.715 -4.019 1.00 0.00 C ATOM 1370 O GLN A 86 5.905 -7.885 -4.071 1.00 0.00 O ATOM 1371 CB GLN A 86 4.875 -4.978 -5.234 1.00 0.00 C ATOM 1372 CG GLN A 86 3.761 -3.941 -5.080 1.00 0.00 C ATOM 1373 CD GLN A 86 2.439 -4.653 -4.787 1.00 0.00 C ATOM 1374 OE1 GLN A 86 1.690 -4.236 -3.927 1.00 0.00 O ATOM 1375 NE2 GLN A 86 2.119 -5.716 -5.473 1.00 0.00 N ATOM 0 H GLN A 86 5.868 -3.618 -3.542 1.00 0.00 H new ATOM 0 HA GLN A 86 4.296 -6.072 -3.429 1.00 0.00 H new ATOM 0 HB2 GLN A 86 5.772 -4.507 -5.635 1.00 0.00 H new ATOM 0 HB3 GLN A 86 4.574 -5.748 -5.945 1.00 0.00 H new ATOM 0 HG2 GLN A 86 4.001 -3.250 -4.272 1.00 0.00 H new ATOM 0 HG3 GLN A 86 3.673 -3.348 -5.990 1.00 0.00 H new ATOM 0 HE21 GLN A 86 2.749 -6.066 -6.195 1.00 0.00 H new ATOM 0 HE22 GLN A 86 1.239 -6.197 -5.287 1.00 0.00 H new ATOM 1384 N ASP A 87 7.478 -6.354 -4.105 1.00 0.00 N ATOM 1385 CA ASP A 87 8.546 -7.385 -4.271 1.00 0.00 C ATOM 1386 C ASP A 87 8.542 -8.385 -3.109 1.00 0.00 C ATOM 1387 O ASP A 87 8.623 -9.580 -3.314 1.00 0.00 O ATOM 1388 CB ASP A 87 9.854 -6.593 -4.286 1.00 0.00 C ATOM 1389 CG ASP A 87 10.975 -7.469 -4.849 1.00 0.00 C ATOM 1390 OD1 ASP A 87 10.674 -8.561 -5.302 1.00 0.00 O ATOM 1391 OD2 ASP A 87 12.114 -7.032 -4.816 1.00 0.00 O ATOM 0 H ASP A 87 7.809 -5.390 -4.068 1.00 0.00 H new ATOM 0 HA ASP A 87 8.401 -7.972 -5.178 1.00 0.00 H new ATOM 0 HB2 ASP A 87 9.741 -5.695 -4.893 1.00 0.00 H new ATOM 0 HB3 ASP A 87 10.105 -6.266 -3.277 1.00 0.00 H new