USER MOD reduce.3.24.130724 H: found=0, std=0, add=390, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 387 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 26 TYR OH : rot -130:sc= -3.07! USER MOD Set 1.2: A 40 GLN : amide:sc= -4.6 K(o=-7.7,f=-12!) USER MOD Set 2.1: A 6 HIS : no HE2:sc= 1.48 K(o=1.8,f=-4.4!) USER MOD Set 2.2: A 36 TYR OH : rot 37:sc= 0.324 USER MOD Single : A 1 GLY N :NH3+ -168:sc= -1.71 (180deg=-2.12) USER MOD Single : A 9 SER OG : rot 109:sc= 1.24 USER MOD Single : A 12 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 13 GLN : amide:sc= 0.576 K(o=0.58,f=-0.0068) USER MOD Single : A 15 GLN :FLIP amide:sc= -0.665 F(o=-1.3!,f=-0.67) USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 THR OG1 : rot 2:sc= 0.779 USER MOD Single : A 29 ASN : amide:sc= 0.92 K(o=0.92,f=-6.4!) USER MOD Single : A 32 HIS : no HD1:sc= -0.157 X(o=-0.16,f=-0.16) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 SER OG : rot -170:sc= 0 USER MOD Single : A 54 CYS SG : rot 180:sc= -1.97! USER MOD Single : A 58 MET CE :methyl -121:sc= -1.52 (180deg=-4.12!) USER MOD Single : A 60 LYS NZ :NH3+ -117:sc= 0.886 (180deg=-0.507) USER MOD Single : A 61 SER OG : rot -69:sc= 0.145 USER MOD ----------------------------------------------------------------- ATOM 422 N GLY A 1 -11.546 8.979 1.893 1.00 0.00 N ATOM 423 CA GLY A 1 -10.679 9.479 0.783 1.00 0.00 C ATOM 424 C GLY A 1 -10.677 8.475 -0.373 1.00 0.00 C ATOM 425 O GLY A 1 -11.251 7.410 -0.267 1.00 0.00 O ATOM 0 H1 GLY A 1 -11.707 9.744 2.579 1.00 0.00 H new ATOM 0 H2 GLY A 1 -12.458 8.664 1.506 1.00 0.00 H new ATOM 0 H3 GLY A 1 -11.077 8.181 2.367 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -11.042 10.446 0.435 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -9.662 9.631 1.145 1.00 0.00 H new ATOM 429 N PRO A 2 -10.018 8.851 -1.441 1.00 0.00 N ATOM 430 CA PRO A 2 -9.934 7.976 -2.647 1.00 0.00 C ATOM 431 C PRO A 2 -9.237 6.649 -2.329 1.00 0.00 C ATOM 432 O PRO A 2 -9.614 5.606 -2.829 1.00 0.00 O ATOM 433 CB PRO A 2 -9.130 8.820 -3.643 1.00 0.00 C ATOM 434 CG PRO A 2 -8.369 9.782 -2.787 1.00 0.00 C ATOM 435 CD PRO A 2 -9.274 10.104 -1.630 1.00 0.00 C ATOM 0 HA PRO A 2 -10.912 7.689 -3.035 1.00 0.00 H new ATOM 0 HB2 PRO A 2 -8.459 8.200 -4.238 1.00 0.00 H new ATOM 0 HB3 PRO A 2 -9.785 9.341 -4.341 1.00 0.00 H new ATOM 0 HG2 PRO A 2 -7.433 9.342 -2.441 1.00 0.00 H new ATOM 0 HG3 PRO A 2 -8.111 10.682 -3.345 1.00 0.00 H new ATOM 0 HD2 PRO A 2 -8.709 10.378 -0.739 1.00 0.00 H new ATOM 0 HD3 PRO A 2 -9.938 10.939 -1.856 1.00 0.00 H new ATOM 443 N CYS A 3 -8.243 6.668 -1.487 1.00 0.00 N ATOM 444 CA CYS A 3 -7.559 5.396 -1.132 1.00 0.00 C ATOM 445 C CYS A 3 -8.503 4.556 -0.270 1.00 0.00 C ATOM 446 O CYS A 3 -8.643 3.367 -0.473 1.00 0.00 O ATOM 447 CB CYS A 3 -6.309 5.803 -0.353 1.00 0.00 C ATOM 448 SG CYS A 3 -5.379 4.336 0.147 1.00 0.00 S ATOM 0 H CYS A 3 -7.877 7.504 -1.032 1.00 0.00 H new ATOM 0 HA CYS A 3 -7.289 4.799 -2.003 1.00 0.00 H new ATOM 0 HB2 CYS A 3 -5.682 6.448 -0.969 1.00 0.00 H new ATOM 0 HB3 CYS A 3 -6.592 6.380 0.527 1.00 0.00 H new ATOM 453 N ARG A 4 -9.181 5.173 0.676 1.00 0.00 N ATOM 454 CA ARG A 4 -10.136 4.401 1.524 1.00 0.00 C ATOM 455 C ARG A 4 -11.159 3.700 0.623 1.00 0.00 C ATOM 456 O ARG A 4 -11.435 2.528 0.784 1.00 0.00 O ATOM 457 CB ARG A 4 -10.823 5.440 2.420 1.00 0.00 C ATOM 458 CG ARG A 4 -12.071 4.834 3.084 1.00 0.00 C ATOM 459 CD ARG A 4 -11.732 3.478 3.721 1.00 0.00 C ATOM 460 NE ARG A 4 -13.015 2.985 4.287 1.00 0.00 N ATOM 461 CZ ARG A 4 -13.579 1.915 3.804 1.00 0.00 C ATOM 462 NH1 ARG A 4 -13.032 0.744 4.000 1.00 0.00 N ATOM 463 NH2 ARG A 4 -14.686 2.016 3.119 1.00 0.00 N ATOM 0 H ARG A 4 -9.111 6.168 0.891 1.00 0.00 H new ATOM 0 HA ARG A 4 -9.641 3.634 2.119 1.00 0.00 H new ATOM 0 HB2 ARG A 4 -10.128 5.786 3.185 1.00 0.00 H new ATOM 0 HB3 ARG A 4 -11.105 6.311 1.828 1.00 0.00 H new ATOM 0 HG2 ARG A 4 -12.453 5.515 3.844 1.00 0.00 H new ATOM 0 HG3 ARG A 4 -12.860 4.708 2.343 1.00 0.00 H new ATOM 0 HD2 ARG A 4 -11.335 2.783 2.981 1.00 0.00 H new ATOM 0 HD3 ARG A 4 -10.974 3.585 4.497 1.00 0.00 H new ATOM 0 HE ARG A 4 -13.456 3.487 5.058 1.00 0.00 H new ATOM 0 HH11 ARG A 4 -12.164 0.669 4.531 1.00 0.00 H new ATOM 0 HH12 ARG A 4 -13.473 -0.095 3.622 1.00 0.00 H new ATOM 0 HH21 ARG A 4 -15.107 2.932 2.963 1.00 0.00 H new ATOM 0 HH22 ARG A 4 -15.129 1.179 2.740 1.00 0.00 H new ATOM 477 N ARG A 5 -11.702 4.405 -0.342 1.00 0.00 N ATOM 478 CA ARG A 5 -12.689 3.762 -1.269 1.00 0.00 C ATOM 479 C ARG A 5 -12.002 2.611 -2.006 1.00 0.00 C ATOM 480 O ARG A 5 -12.558 1.543 -2.175 1.00 0.00 O ATOM 481 CB ARG A 5 -13.105 4.853 -2.265 1.00 0.00 C ATOM 482 CG ARG A 5 -13.613 6.088 -1.511 1.00 0.00 C ATOM 483 CD ARG A 5 -14.894 6.619 -2.166 1.00 0.00 C ATOM 484 NE ARG A 5 -15.989 6.309 -1.196 1.00 0.00 N ATOM 485 CZ ARG A 5 -16.146 7.052 -0.130 1.00 0.00 C ATOM 486 NH1 ARG A 5 -16.439 8.319 -0.263 1.00 0.00 N ATOM 487 NH2 ARG A 5 -16.014 6.529 1.062 1.00 0.00 N ATOM 0 H ARG A 5 -11.507 5.389 -0.527 1.00 0.00 H new ATOM 0 HA ARG A 5 -13.554 3.362 -0.739 1.00 0.00 H new ATOM 0 HB2 ARG A 5 -12.257 5.124 -2.894 1.00 0.00 H new ATOM 0 HB3 ARG A 5 -13.885 4.475 -2.926 1.00 0.00 H new ATOM 0 HG2 ARG A 5 -13.808 5.833 -0.469 1.00 0.00 H new ATOM 0 HG3 ARG A 5 -12.847 6.864 -1.511 1.00 0.00 H new ATOM 0 HD2 ARG A 5 -14.825 7.691 -2.353 1.00 0.00 H new ATOM 0 HD3 ARG A 5 -15.073 6.138 -3.128 1.00 0.00 H new ATOM 0 HE ARG A 5 -16.613 5.520 -1.365 1.00 0.00 H new ATOM 0 HH11 ARG A 5 -16.544 8.723 -1.194 1.00 0.00 H new ATOM 0 HH12 ARG A 5 -16.563 8.903 0.564 1.00 0.00 H new ATOM 0 HH21 ARG A 5 -15.788 5.539 1.163 1.00 0.00 H new ATOM 0 HH22 ARG A 5 -16.137 7.111 1.891 1.00 0.00 H new ATOM 501 N HIS A 6 -10.786 2.825 -2.435 1.00 0.00 N ATOM 502 CA HIS A 6 -10.043 1.750 -3.145 1.00 0.00 C ATOM 503 C HIS A 6 -9.789 0.586 -2.192 1.00 0.00 C ATOM 504 O HIS A 6 -9.935 -0.557 -2.560 1.00 0.00 O ATOM 505 CB HIS A 6 -8.714 2.373 -3.586 1.00 0.00 C ATOM 506 CG HIS A 6 -8.876 2.992 -4.948 1.00 0.00 C ATOM 507 ND1 HIS A 6 -9.397 4.266 -5.130 1.00 0.00 N ATOM 508 CD2 HIS A 6 -8.596 2.520 -6.206 1.00 0.00 C ATOM 509 CE1 HIS A 6 -9.414 4.510 -6.454 1.00 0.00 C ATOM 510 NE2 HIS A 6 -8.936 3.478 -7.155 1.00 0.00 N ATOM 0 H HIS A 6 -10.276 3.701 -2.323 1.00 0.00 H new ATOM 0 HA HIS A 6 -10.602 1.366 -3.998 1.00 0.00 H new ATOM 0 HB2 HIS A 6 -8.398 3.129 -2.867 1.00 0.00 H new ATOM 0 HB3 HIS A 6 -7.934 1.612 -3.611 1.00 0.00 H new ATOM 0 HD1 HIS A 6 -9.710 4.901 -4.395 1.00 0.00 H new ATOM 0 HD2 HIS A 6 -8.175 1.550 -6.426 1.00 0.00 H new ATOM 0 HE1 HIS A 6 -9.771 5.429 -6.896 1.00 0.00 H new ATOM 518 N LEU A 7 -9.412 0.870 -0.968 1.00 0.00 N ATOM 519 CA LEU A 7 -9.143 -0.231 0.009 1.00 0.00 C ATOM 520 C LEU A 7 -10.377 -1.122 0.147 1.00 0.00 C ATOM 521 O LEU A 7 -10.292 -2.321 -0.004 1.00 0.00 O ATOM 522 CB LEU A 7 -8.840 0.462 1.348 1.00 0.00 C ATOM 523 CG LEU A 7 -7.372 0.229 1.740 1.00 0.00 C ATOM 524 CD1 LEU A 7 -7.117 0.774 3.147 1.00 0.00 C ATOM 525 CD2 LEU A 7 -7.059 -1.273 1.712 1.00 0.00 C ATOM 0 H LEU A 7 -9.279 1.814 -0.605 1.00 0.00 H new ATOM 0 HA LEU A 7 -8.316 -0.863 -0.314 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -9.038 1.531 1.267 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -9.499 0.074 2.125 1.00 0.00 H new ATOM 0 HG LEU A 7 -6.729 0.747 1.029 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -6.075 0.606 3.419 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -7.329 1.843 3.167 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -7.765 0.262 3.858 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -6.017 -1.433 1.991 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -7.707 -1.793 2.417 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -7.230 -1.662 0.708 1.00 0.00 H new ATOM 537 N ASP A 8 -11.526 -0.550 0.416 1.00 0.00 N ATOM 538 CA ASP A 8 -12.761 -1.392 0.552 1.00 0.00 C ATOM 539 C ASP A 8 -13.009 -2.164 -0.742 1.00 0.00 C ATOM 540 O ASP A 8 -13.273 -3.355 -0.730 1.00 0.00 O ATOM 541 CB ASP A 8 -13.913 -0.415 0.810 1.00 0.00 C ATOM 542 CG ASP A 8 -14.945 -1.079 1.718 1.00 0.00 C ATOM 543 OD1 ASP A 8 -15.713 -1.884 1.229 1.00 0.00 O ATOM 544 OD2 ASP A 8 -14.954 -0.764 2.892 1.00 0.00 O ATOM 0 H ASP A 8 -11.664 0.452 0.546 1.00 0.00 H new ATOM 0 HA ASP A 8 -12.665 -2.119 1.359 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -13.535 0.496 1.275 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -14.376 -0.123 -0.133 1.00 0.00 H new ATOM 549 N SER A 9 -12.911 -1.495 -1.854 1.00 0.00 N ATOM 550 CA SER A 9 -13.132 -2.171 -3.165 1.00 0.00 C ATOM 551 C SER A 9 -12.036 -3.217 -3.387 1.00 0.00 C ATOM 552 O SER A 9 -12.318 -4.362 -3.700 1.00 0.00 O ATOM 553 CB SER A 9 -13.062 -1.061 -4.216 1.00 0.00 C ATOM 554 OG SER A 9 -13.780 0.082 -3.750 1.00 0.00 O ATOM 0 H SER A 9 -12.686 -0.502 -1.914 1.00 0.00 H new ATOM 0 HA SER A 9 -14.088 -2.692 -3.215 1.00 0.00 H new ATOM 0 HB2 SER A 9 -12.023 -0.796 -4.412 1.00 0.00 H new ATOM 0 HB3 SER A 9 -13.485 -1.410 -5.158 1.00 0.00 H new ATOM 0 HG SER A 9 -13.148 0.797 -3.526 1.00 0.00 H new ATOM 560 N VAL A 10 -10.794 -2.842 -3.199 1.00 0.00 N ATOM 561 CA VAL A 10 -9.683 -3.825 -3.367 1.00 0.00 C ATOM 562 C VAL A 10 -9.867 -4.954 -2.353 1.00 0.00 C ATOM 563 O VAL A 10 -9.731 -6.105 -2.684 1.00 0.00 O ATOM 564 CB VAL A 10 -8.392 -3.047 -3.082 1.00 0.00 C ATOM 565 CG1 VAL A 10 -7.204 -4.013 -3.031 1.00 0.00 C ATOM 566 CG2 VAL A 10 -8.154 -2.014 -4.188 1.00 0.00 C ATOM 0 H VAL A 10 -10.504 -1.900 -2.937 1.00 0.00 H new ATOM 0 HA VAL A 10 -9.659 -4.267 -4.363 1.00 0.00 H new ATOM 0 HB VAL A 10 -8.490 -2.539 -2.123 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -6.290 -3.455 -2.828 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -7.365 -4.746 -2.240 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -7.111 -4.526 -3.988 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -7.236 -1.464 -3.981 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -8.064 -2.523 -5.148 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -8.993 -1.319 -4.223 1.00 0.00 H new ATOM 576 N LEU A 11 -10.196 -4.623 -1.129 1.00 0.00 N ATOM 577 CA LEU A 11 -10.413 -5.674 -0.091 1.00 0.00 C ATOM 578 C LEU A 11 -11.512 -6.615 -0.555 1.00 0.00 C ATOM 579 O LEU A 11 -11.359 -7.824 -0.556 1.00 0.00 O ATOM 580 CB LEU A 11 -10.895 -4.913 1.140 1.00 0.00 C ATOM 581 CG LEU A 11 -9.744 -4.670 2.112 1.00 0.00 C ATOM 582 CD1 LEU A 11 -9.547 -5.907 2.992 1.00 0.00 C ATOM 583 CD2 LEU A 11 -8.445 -4.367 1.353 1.00 0.00 C ATOM 0 H LEU A 11 -10.324 -3.665 -0.804 1.00 0.00 H new ATOM 0 HA LEU A 11 -9.515 -6.260 0.104 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -11.329 -3.960 0.837 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -11.683 -5.478 1.637 1.00 0.00 H new ATOM 0 HG LEU A 11 -9.991 -3.810 2.734 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -8.725 -5.733 3.686 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -10.460 -6.103 3.554 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -9.315 -6.767 2.364 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -7.638 -4.197 2.066 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -8.192 -5.212 0.713 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -8.581 -3.476 0.740 1.00 0.00 H new ATOM 595 N GLN A 12 -12.624 -6.065 -0.958 1.00 0.00 N ATOM 596 CA GLN A 12 -13.751 -6.927 -1.436 1.00 0.00 C ATOM 597 C GLN A 12 -13.307 -7.718 -2.672 1.00 0.00 C ATOM 598 O GLN A 12 -13.534 -8.911 -2.772 1.00 0.00 O ATOM 599 CB GLN A 12 -14.871 -5.956 -1.803 1.00 0.00 C ATOM 600 CG GLN A 12 -15.507 -5.408 -0.525 1.00 0.00 C ATOM 601 CD GLN A 12 -16.953 -5.879 -0.442 1.00 0.00 C ATOM 602 OE1 GLN A 12 -17.835 -5.243 -0.979 1.00 0.00 O ATOM 603 NE2 GLN A 12 -17.235 -6.979 0.194 1.00 0.00 N ATOM 0 H GLN A 12 -12.804 -5.061 -0.979 1.00 0.00 H new ATOM 0 HA GLN A 12 -14.071 -7.647 -0.683 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -14.475 -5.138 -2.405 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -15.623 -6.463 -2.408 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -14.950 -5.750 0.348 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -15.466 -4.319 -0.523 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -16.492 -7.512 0.645 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -18.199 -7.308 0.241 1.00 0.00 H new ATOM 612 N GLN A 13 -12.664 -7.066 -3.603 1.00 0.00 N ATOM 613 CA GLN A 13 -12.183 -7.776 -4.830 1.00 0.00 C ATOM 614 C GLN A 13 -10.998 -8.696 -4.501 1.00 0.00 C ATOM 615 O GLN A 13 -10.801 -9.702 -5.143 1.00 0.00 O ATOM 616 CB GLN A 13 -11.759 -6.677 -5.810 1.00 0.00 C ATOM 617 CG GLN A 13 -12.852 -6.496 -6.866 1.00 0.00 C ATOM 618 CD GLN A 13 -12.961 -5.019 -7.257 1.00 0.00 C ATOM 619 OE1 GLN A 13 -12.836 -4.679 -8.417 1.00 0.00 O ATOM 620 NE2 GLN A 13 -13.194 -4.123 -6.341 1.00 0.00 N ATOM 0 H GLN A 13 -12.449 -6.069 -3.569 1.00 0.00 H new ATOM 0 HA GLN A 13 -12.962 -8.411 -5.252 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -11.594 -5.741 -5.276 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -10.816 -6.943 -6.287 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -12.623 -7.098 -7.745 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -13.807 -6.850 -6.478 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -13.299 -4.405 -5.367 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -13.271 -3.139 -6.598 1.00 0.00 H new ATOM 629 N LEU A 14 -10.190 -8.335 -3.537 1.00 0.00 N ATOM 630 CA LEU A 14 -8.979 -9.148 -3.191 1.00 0.00 C ATOM 631 C LEU A 14 -9.301 -10.626 -3.023 1.00 0.00 C ATOM 632 O LEU A 14 -8.580 -11.465 -3.514 1.00 0.00 O ATOM 633 CB LEU A 14 -8.498 -8.598 -1.846 1.00 0.00 C ATOM 634 CG LEU A 14 -6.984 -8.420 -1.879 1.00 0.00 C ATOM 635 CD1 LEU A 14 -6.557 -7.510 -0.733 1.00 0.00 C ATOM 636 CD2 LEU A 14 -6.313 -9.782 -1.715 1.00 0.00 C ATOM 0 H LEU A 14 -10.318 -7.500 -2.966 1.00 0.00 H new ATOM 0 HA LEU A 14 -8.238 -9.075 -3.987 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -8.982 -7.644 -1.638 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -8.777 -9.279 -1.042 1.00 0.00 H new ATOM 0 HG LEU A 14 -6.689 -7.976 -2.830 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -5.475 -7.381 -0.754 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -7.040 -6.539 -0.840 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -6.850 -7.958 0.216 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -5.230 -9.659 -1.738 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -6.608 -10.221 -0.762 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -6.621 -10.440 -2.528 1.00 0.00 H new ATOM 648 N GLN A 15 -10.352 -10.968 -2.331 1.00 0.00 N ATOM 649 CA GLN A 15 -10.651 -12.417 -2.148 1.00 0.00 C ATOM 650 C GLN A 15 -11.254 -13.021 -3.416 1.00 0.00 C ATOM 651 O GLN A 15 -11.160 -14.213 -3.638 1.00 0.00 O ATOM 652 CB GLN A 15 -11.628 -12.510 -0.966 1.00 0.00 C ATOM 653 CG GLN A 15 -11.937 -13.982 -0.645 1.00 0.00 C ATOM 654 CD GLN A 15 -10.649 -14.720 -0.252 1.00 0.00 C ATOM 655 OE1 GLN A 15 -9.833 -15.122 -1.188 1.00 0.00 O flip ATOM 656 NE2 GLN A 15 -10.392 -14.944 0.917 1.00 0.00 N flip ATOM 0 H GLN A 15 -11.007 -10.321 -1.891 1.00 0.00 H new ATOM 0 HA GLN A 15 -9.741 -12.983 -1.947 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -11.199 -12.022 -0.091 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -12.551 -11.981 -1.205 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -12.661 -14.040 0.168 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -12.391 -14.463 -1.511 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -11.030 -14.630 1.649 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -9.539 -15.446 1.165 1.00 0.00 H new ATOM 665 N THR A 16 -11.852 -12.226 -4.245 1.00 0.00 N ATOM 666 CA THR A 16 -12.436 -12.766 -5.491 1.00 0.00 C ATOM 667 C THR A 16 -11.400 -12.680 -6.617 1.00 0.00 C ATOM 668 O THR A 16 -11.244 -13.593 -7.409 1.00 0.00 O ATOM 669 CB THR A 16 -13.635 -11.852 -5.774 1.00 0.00 C ATOM 670 OG1 THR A 16 -14.716 -12.200 -4.917 1.00 0.00 O ATOM 671 CG2 THR A 16 -14.054 -12.008 -7.229 1.00 0.00 C ATOM 0 H THR A 16 -11.962 -11.221 -4.113 1.00 0.00 H new ATOM 0 HA THR A 16 -12.734 -13.812 -5.413 1.00 0.00 H new ATOM 0 HB THR A 16 -13.356 -10.815 -5.588 1.00 0.00 H new ATOM 0 HG1 THR A 16 -15.480 -11.613 -5.099 1.00 0.00 H new ATOM 0 HG21 THR A 16 -14.906 -11.360 -7.434 1.00 0.00 H new ATOM 0 HG22 THR A 16 -13.223 -11.732 -7.878 1.00 0.00 H new ATOM 0 HG23 THR A 16 -14.333 -13.045 -7.418 1.00 0.00 H new ATOM 679 N GLU A 17 -10.698 -11.585 -6.684 1.00 0.00 N ATOM 680 CA GLU A 17 -9.663 -11.396 -7.745 1.00 0.00 C ATOM 681 C GLU A 17 -8.269 -11.751 -7.210 1.00 0.00 C ATOM 682 O GLU A 17 -7.283 -11.156 -7.606 1.00 0.00 O ATOM 683 CB GLU A 17 -9.747 -9.914 -8.123 1.00 0.00 C ATOM 684 CG GLU A 17 -11.106 -9.619 -8.769 1.00 0.00 C ATOM 685 CD GLU A 17 -10.892 -9.059 -10.170 1.00 0.00 C ATOM 686 OE1 GLU A 17 -10.749 -9.841 -11.089 1.00 0.00 O ATOM 687 OE2 GLU A 17 -10.866 -7.852 -10.307 1.00 0.00 O ATOM 0 H GLU A 17 -10.797 -10.800 -6.041 1.00 0.00 H new ATOM 0 HA GLU A 17 -9.833 -12.043 -8.606 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -9.614 -9.295 -7.236 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -8.943 -9.659 -8.813 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -11.703 -10.530 -8.817 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -11.662 -8.905 -8.161 1.00 0.00 H new ATOM 789 N THR A 24 -2.156 -11.800 -5.109 1.00 0.00 N ATOM 790 CA THR A 24 -1.386 -10.494 -5.111 1.00 0.00 C ATOM 791 C THR A 24 -2.089 -9.235 -5.626 1.00 0.00 C ATOM 792 O THR A 24 -1.549 -8.497 -6.438 1.00 0.00 O ATOM 793 CB THR A 24 -0.134 -10.761 -5.932 1.00 0.00 C ATOM 794 OG1 THR A 24 -0.030 -12.157 -6.243 1.00 0.00 O ATOM 795 CG2 THR A 24 1.057 -10.311 -5.104 1.00 0.00 C ATOM 0 HA THR A 24 -1.214 -10.237 -4.066 1.00 0.00 H new ATOM 0 HB THR A 24 -0.170 -10.216 -6.875 1.00 0.00 H new ATOM 0 HG1 THR A 24 -0.809 -12.631 -5.883 1.00 0.00 H new ATOM 0 HG21 THR A 24 1.976 -10.488 -5.663 1.00 0.00 H new ATOM 0 HG22 THR A 24 0.966 -9.248 -4.883 1.00 0.00 H new ATOM 0 HG23 THR A 24 1.085 -10.874 -4.171 1.00 0.00 H new ATOM 803 N LEU A 25 -3.248 -8.950 -5.151 1.00 0.00 N ATOM 804 CA LEU A 25 -3.932 -7.709 -5.601 1.00 0.00 C ATOM 805 C LEU A 25 -3.247 -6.492 -4.957 1.00 0.00 C ATOM 806 O LEU A 25 -2.647 -6.566 -3.901 1.00 0.00 O ATOM 807 CB LEU A 25 -5.367 -7.810 -5.087 1.00 0.00 C ATOM 808 CG LEU A 25 -6.153 -8.804 -5.933 1.00 0.00 C ATOM 809 CD1 LEU A 25 -6.236 -10.131 -5.187 1.00 0.00 C ATOM 810 CD2 LEU A 25 -7.564 -8.262 -6.171 1.00 0.00 C ATOM 0 H LEU A 25 -3.760 -9.513 -4.472 1.00 0.00 H new ATOM 0 HA LEU A 25 -3.897 -7.597 -6.685 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -5.367 -8.127 -4.044 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -5.845 -6.831 -5.123 1.00 0.00 H new ATOM 0 HG LEU A 25 -5.656 -8.951 -6.892 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -6.797 -10.850 -5.784 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -5.230 -10.513 -5.010 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -6.740 -9.981 -4.232 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -8.129 -8.971 -6.776 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -8.066 -8.121 -5.214 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -7.504 -7.307 -6.693 1.00 0.00 H new ATOM 822 N TYR A 26 -3.313 -5.390 -5.627 1.00 0.00 N ATOM 823 CA TYR A 26 -2.651 -4.130 -5.143 1.00 0.00 C ATOM 824 C TYR A 26 -3.433 -3.505 -3.979 1.00 0.00 C ATOM 825 O TYR A 26 -4.508 -2.970 -4.162 1.00 0.00 O ATOM 826 CB TYR A 26 -2.693 -3.226 -6.380 1.00 0.00 C ATOM 827 CG TYR A 26 -1.882 -1.963 -6.196 1.00 0.00 C ATOM 828 CD1 TYR A 26 -2.311 -0.970 -5.311 1.00 0.00 C ATOM 829 CD2 TYR A 26 -0.733 -1.760 -6.967 1.00 0.00 C ATOM 830 CE1 TYR A 26 -1.597 0.230 -5.202 1.00 0.00 C ATOM 831 CE2 TYR A 26 -0.017 -0.571 -6.851 1.00 0.00 C ATOM 832 CZ TYR A 26 -0.446 0.429 -5.976 1.00 0.00 C ATOM 833 OH TYR A 26 0.261 1.611 -5.883 1.00 0.00 O ATOM 0 H TYR A 26 -3.807 -5.292 -6.514 1.00 0.00 H new ATOM 0 HA TYR A 26 -1.643 -4.294 -4.761 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -2.315 -3.776 -7.242 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -3.728 -2.962 -6.599 1.00 0.00 H new ATOM 0 HD1 TYR A 26 -3.194 -1.128 -4.710 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -0.401 -2.525 -7.653 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -1.933 1.000 -4.523 1.00 0.00 H new ATOM 0 HE2 TYR A 26 0.875 -0.422 -7.441 1.00 0.00 H new ATOM 0 HH TYR A 26 0.421 1.968 -6.782 1.00 0.00 H new ATOM 843 N VAL A 27 -2.894 -3.550 -2.789 1.00 0.00 N ATOM 844 CA VAL A 27 -3.599 -2.940 -1.622 1.00 0.00 C ATOM 845 C VAL A 27 -2.941 -1.594 -1.274 1.00 0.00 C ATOM 846 O VAL A 27 -1.757 -1.536 -0.993 1.00 0.00 O ATOM 847 CB VAL A 27 -3.447 -3.954 -0.478 1.00 0.00 C ATOM 848 CG1 VAL A 27 -4.078 -3.403 0.802 1.00 0.00 C ATOM 849 CG2 VAL A 27 -4.159 -5.253 -0.859 1.00 0.00 C ATOM 0 H VAL A 27 -1.996 -3.983 -2.574 1.00 0.00 H new ATOM 0 HA VAL A 27 -4.651 -2.736 -1.822 1.00 0.00 H new ATOM 0 HB VAL A 27 -2.387 -4.140 -0.308 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -3.964 -4.130 1.606 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -3.582 -2.473 1.081 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -5.138 -3.212 0.632 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -4.054 -5.976 -0.050 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -5.216 -5.052 -1.031 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -3.715 -5.658 -1.768 1.00 0.00 H new ATOM 859 N PRO A 28 -3.731 -0.552 -1.335 1.00 0.00 N ATOM 860 CA PRO A 28 -3.228 0.812 -1.048 1.00 0.00 C ATOM 861 C PRO A 28 -3.283 1.141 0.452 1.00 0.00 C ATOM 862 O PRO A 28 -4.155 0.683 1.166 1.00 0.00 O ATOM 863 CB PRO A 28 -4.195 1.699 -1.826 1.00 0.00 C ATOM 864 CG PRO A 28 -5.468 0.909 -1.962 1.00 0.00 C ATOM 865 CD PRO A 28 -5.155 -0.543 -1.682 1.00 0.00 C ATOM 0 HA PRO A 28 -2.183 0.941 -1.330 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -4.373 2.637 -1.300 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -3.788 1.954 -2.805 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -6.220 1.277 -1.264 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -5.881 1.022 -2.965 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -5.765 -0.930 -0.866 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -5.355 -1.167 -2.553 1.00 0.00 H new ATOM 873 N ASN A 29 -2.373 1.957 0.923 1.00 0.00 N ATOM 874 CA ASN A 29 -2.379 2.361 2.366 1.00 0.00 C ATOM 875 C ASN A 29 -2.922 3.780 2.454 1.00 0.00 C ATOM 876 O ASN A 29 -2.462 4.659 1.748 1.00 0.00 O ATOM 877 CB ASN A 29 -0.923 2.342 2.819 1.00 0.00 C ATOM 878 CG ASN A 29 -0.859 2.315 4.348 1.00 0.00 C ATOM 879 OD1 ASN A 29 -0.747 1.261 4.942 1.00 0.00 O ATOM 880 ND2 ASN A 29 -0.929 3.434 5.017 1.00 0.00 N ATOM 0 H ASN A 29 -1.621 2.364 0.367 1.00 0.00 H new ATOM 0 HA ASN A 29 -2.990 1.701 2.983 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -0.416 1.469 2.409 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -0.402 3.221 2.439 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -0.890 3.422 6.036 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -1.023 4.320 4.520 1.00 0.00 H new ATOM 887 N CYS A 30 -3.894 4.025 3.281 1.00 0.00 N ATOM 888 CA CYS A 30 -4.451 5.404 3.348 1.00 0.00 C ATOM 889 C CYS A 30 -4.312 5.994 4.750 1.00 0.00 C ATOM 890 O CYS A 30 -4.395 5.298 5.746 1.00 0.00 O ATOM 891 CB CYS A 30 -5.937 5.255 2.996 1.00 0.00 C ATOM 892 SG CYS A 30 -6.198 3.817 1.915 1.00 0.00 S ATOM 0 H CYS A 30 -4.324 3.343 3.906 1.00 0.00 H new ATOM 0 HA CYS A 30 -3.921 6.074 2.671 1.00 0.00 H new ATOM 0 HB2 CYS A 30 -6.523 5.142 3.908 1.00 0.00 H new ATOM 0 HB3 CYS A 30 -6.291 6.159 2.500 1.00 0.00 H new ATOM 897 N ASP A 31 -4.131 7.281 4.826 1.00 0.00 N ATOM 898 CA ASP A 31 -4.021 7.971 6.142 1.00 0.00 C ATOM 899 C ASP A 31 -5.408 8.495 6.545 1.00 0.00 C ATOM 900 O ASP A 31 -6.374 8.309 5.826 1.00 0.00 O ATOM 901 CB ASP A 31 -3.029 9.115 5.927 1.00 0.00 C ATOM 902 CG ASP A 31 -3.745 10.314 5.315 1.00 0.00 C ATOM 903 OD1 ASP A 31 -4.031 10.271 4.129 1.00 0.00 O ATOM 904 OD2 ASP A 31 -3.998 11.253 6.045 1.00 0.00 O ATOM 0 H ASP A 31 -4.053 7.897 4.016 1.00 0.00 H new ATOM 0 HA ASP A 31 -3.677 7.314 6.941 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -2.575 9.397 6.877 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -2.221 8.789 5.272 1.00 0.00 H new ATOM 909 N HIS A 32 -5.516 9.124 7.686 1.00 0.00 N ATOM 910 CA HIS A 32 -6.848 9.651 8.149 1.00 0.00 C ATOM 911 C HIS A 32 -7.548 10.445 7.033 1.00 0.00 C ATOM 912 O HIS A 32 -8.760 10.532 7.002 1.00 0.00 O ATOM 913 CB HIS A 32 -6.539 10.584 9.328 1.00 0.00 C ATOM 914 CG HIS A 32 -5.838 9.823 10.417 1.00 0.00 C ATOM 915 ND1 HIS A 32 -4.584 10.185 10.875 1.00 0.00 N ATOM 916 CD2 HIS A 32 -6.197 8.710 11.136 1.00 0.00 C ATOM 917 CE1 HIS A 32 -4.230 9.303 11.827 1.00 0.00 C ATOM 918 NE2 HIS A 32 -5.180 8.384 12.025 1.00 0.00 N ATOM 0 H HIS A 32 -4.740 9.299 8.324 1.00 0.00 H new ATOM 0 HA HIS A 32 -7.514 8.834 8.429 1.00 0.00 H new ATOM 0 HB2 HIS A 32 -5.915 11.412 8.993 1.00 0.00 H new ATOM 0 HB3 HIS A 32 -7.463 11.016 9.712 1.00 0.00 H new ATOM 0 HD2 HIS A 32 -7.127 8.171 11.027 1.00 0.00 H new ATOM 0 HE1 HIS A 32 -3.294 9.334 12.365 1.00 0.00 H new ATOM 0 HE2 HIS A 32 -5.162 7.609 12.687 1.00 0.00 H new ATOM 926 N ARG A 33 -6.808 11.003 6.110 1.00 0.00 N ATOM 927 CA ARG A 33 -7.431 11.772 4.998 1.00 0.00 C ATOM 928 C ARG A 33 -7.964 10.804 3.906 1.00 0.00 C ATOM 929 O ARG A 33 -8.477 11.220 2.884 1.00 0.00 O ATOM 930 CB ARG A 33 -6.293 12.677 4.492 1.00 0.00 C ATOM 931 CG ARG A 33 -6.473 12.998 3.014 1.00 0.00 C ATOM 932 CD ARG A 33 -7.717 13.875 2.825 1.00 0.00 C ATOM 933 NE ARG A 33 -7.310 15.248 3.246 1.00 0.00 N ATOM 934 CZ ARG A 33 -6.991 16.138 2.343 1.00 0.00 C ATOM 935 NH1 ARG A 33 -7.910 16.609 1.537 1.00 0.00 N ATOM 936 NH2 ARG A 33 -5.754 16.550 2.252 1.00 0.00 N ATOM 0 H ARG A 33 -5.789 10.957 6.081 1.00 0.00 H new ATOM 0 HA ARG A 33 -8.298 12.359 5.301 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -6.273 13.601 5.070 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -5.334 12.184 4.647 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -5.591 13.514 2.634 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -6.575 12.076 2.441 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -8.049 13.866 1.787 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -8.548 13.511 3.428 1.00 0.00 H new ATOM 0 HE ARG A 33 -7.281 15.491 4.236 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -8.873 16.281 1.614 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -7.663 17.303 0.832 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -5.045 16.177 2.883 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -5.498 17.244 1.550 1.00 0.00 H new ATOM 950 N GLY A 34 -7.879 9.516 4.128 1.00 0.00 N ATOM 951 CA GLY A 34 -8.397 8.534 3.133 1.00 0.00 C ATOM 952 C GLY A 34 -7.585 8.526 1.829 1.00 0.00 C ATOM 953 O GLY A 34 -7.902 7.771 0.930 1.00 0.00 O ATOM 0 H GLY A 34 -7.469 9.102 4.965 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -8.382 7.536 3.572 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -9.438 8.767 2.907 1.00 0.00 H new ATOM 957 N PHE A 35 -6.547 9.314 1.703 1.00 0.00 N ATOM 958 CA PHE A 35 -5.739 9.277 0.439 1.00 0.00 C ATOM 959 C PHE A 35 -4.651 8.200 0.563 1.00 0.00 C ATOM 960 O PHE A 35 -4.351 7.755 1.653 1.00 0.00 O ATOM 961 CB PHE A 35 -5.097 10.663 0.324 1.00 0.00 C ATOM 962 CG PHE A 35 -5.911 11.521 -0.617 1.00 0.00 C ATOM 963 CD1 PHE A 35 -7.074 12.148 -0.158 1.00 0.00 C ATOM 964 CD2 PHE A 35 -5.506 11.685 -1.948 1.00 0.00 C ATOM 965 CE1 PHE A 35 -7.826 12.948 -1.026 1.00 0.00 C ATOM 966 CE2 PHE A 35 -6.259 12.485 -2.813 1.00 0.00 C ATOM 967 CZ PHE A 35 -7.422 13.114 -2.353 1.00 0.00 C ATOM 0 H PHE A 35 -6.224 9.975 2.410 1.00 0.00 H new ATOM 0 HA PHE A 35 -6.346 9.042 -0.435 1.00 0.00 H new ATOM 0 HB2 PHE A 35 -5.043 11.133 1.306 1.00 0.00 H new ATOM 0 HB3 PHE A 35 -4.075 10.572 -0.043 1.00 0.00 H new ATOM 0 HD1 PHE A 35 -7.392 12.015 0.866 1.00 0.00 H new ATOM 0 HD2 PHE A 35 -4.613 11.194 -2.306 1.00 0.00 H new ATOM 0 HE1 PHE A 35 -8.720 13.438 -0.669 1.00 0.00 H new ATOM 0 HE2 PHE A 35 -5.943 12.618 -3.837 1.00 0.00 H new ATOM 0 HZ PHE A 35 -8.006 13.727 -3.023 1.00 0.00 H new ATOM 977 N TYR A 36 -4.027 7.805 -0.525 1.00 0.00 N ATOM 978 CA TYR A 36 -2.920 6.787 -0.418 1.00 0.00 C ATOM 979 C TYR A 36 -1.734 7.551 0.147 1.00 0.00 C ATOM 980 O TYR A 36 -0.984 8.140 -0.596 1.00 0.00 O ATOM 981 CB TYR A 36 -2.570 6.294 -1.843 1.00 0.00 C ATOM 982 CG TYR A 36 -3.775 6.272 -2.769 1.00 0.00 C ATOM 983 CD1 TYR A 36 -4.565 5.121 -2.869 1.00 0.00 C ATOM 984 CD2 TYR A 36 -4.082 7.399 -3.542 1.00 0.00 C ATOM 985 CE1 TYR A 36 -5.666 5.101 -3.739 1.00 0.00 C ATOM 986 CE2 TYR A 36 -5.179 7.381 -4.410 1.00 0.00 C ATOM 987 CZ TYR A 36 -5.970 6.234 -4.510 1.00 0.00 C ATOM 988 OH TYR A 36 -7.056 6.219 -5.364 1.00 0.00 O ATOM 0 H TYR A 36 -4.229 8.135 -1.469 1.00 0.00 H new ATOM 0 HA TYR A 36 -3.191 5.931 0.199 1.00 0.00 H new ATOM 0 HB2 TYR A 36 -1.802 6.940 -2.268 1.00 0.00 H new ATOM 0 HB3 TYR A 36 -2.145 5.292 -1.782 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -4.328 4.249 -2.277 1.00 0.00 H new ATOM 0 HD2 TYR A 36 -3.469 8.285 -3.468 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -6.279 4.215 -3.815 1.00 0.00 H new ATOM 0 HE2 TYR A 36 -5.414 8.253 -5.002 1.00 0.00 H new ATOM 0 HH TYR A 36 -7.788 5.713 -4.953 1.00 0.00 H new ATOM 998 N ARG A 37 -1.611 7.671 1.442 1.00 0.00 N ATOM 999 CA ARG A 37 -0.513 8.547 1.935 1.00 0.00 C ATOM 1000 C ARG A 37 0.888 7.935 1.916 1.00 0.00 C ATOM 1001 O ARG A 37 1.775 8.459 1.277 1.00 0.00 O ATOM 1002 CB ARG A 37 -0.911 8.930 3.368 1.00 0.00 C ATOM 1003 CG ARG A 37 0.128 9.899 3.933 1.00 0.00 C ATOM 1004 CD ARG A 37 -0.552 10.900 4.872 1.00 0.00 C ATOM 1005 NE ARG A 37 -0.553 12.193 4.131 1.00 0.00 N ATOM 1006 CZ ARG A 37 -1.672 12.666 3.645 1.00 0.00 C ATOM 1007 NH1 ARG A 37 -2.624 13.048 4.455 1.00 0.00 N ATOM 1008 NH2 ARG A 37 -1.836 12.741 2.351 1.00 0.00 N ATOM 0 H ARG A 37 -2.193 7.224 2.150 1.00 0.00 H new ATOM 0 HA ARG A 37 -0.421 9.396 1.258 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -1.898 9.392 3.373 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -0.973 8.039 3.992 1.00 0.00 H new ATOM 0 HG2 ARG A 37 0.898 9.347 4.471 1.00 0.00 H new ATOM 0 HG3 ARG A 37 0.625 10.429 3.120 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -1.567 10.585 5.115 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -0.011 10.987 5.814 1.00 0.00 H new ATOM 0 HE ARG A 37 0.318 12.709 4.003 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -2.494 12.977 5.464 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -3.497 13.417 4.078 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -1.093 12.431 1.724 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -2.707 13.109 1.968 1.00 0.00 H new ATOM 1022 N LYS A 38 1.121 6.902 2.658 1.00 0.00 N ATOM 1023 CA LYS A 38 2.511 6.339 2.710 1.00 0.00 C ATOM 1024 C LYS A 38 2.811 5.106 1.834 1.00 0.00 C ATOM 1025 O LYS A 38 3.845 5.042 1.191 1.00 0.00 O ATOM 1026 CB LYS A 38 2.706 5.971 4.180 1.00 0.00 C ATOM 1027 CG LYS A 38 4.194 5.743 4.429 1.00 0.00 C ATOM 1028 CD LYS A 38 4.591 6.310 5.791 1.00 0.00 C ATOM 1029 CE LYS A 38 4.577 5.184 6.843 1.00 0.00 C ATOM 1030 NZ LYS A 38 6.001 4.780 7.018 1.00 0.00 N ATOM 0 H LYS A 38 0.428 6.419 3.229 1.00 0.00 H new ATOM 0 HA LYS A 38 3.191 7.088 2.305 1.00 0.00 H new ATOM 0 HB2 LYS A 38 2.332 6.768 4.823 1.00 0.00 H new ATOM 0 HB3 LYS A 38 2.139 5.073 4.424 1.00 0.00 H new ATOM 0 HG2 LYS A 38 4.418 4.677 4.391 1.00 0.00 H new ATOM 0 HG3 LYS A 38 4.780 6.220 3.643 1.00 0.00 H new ATOM 0 HD2 LYS A 38 5.584 6.757 5.735 1.00 0.00 H new ATOM 0 HD3 LYS A 38 3.901 7.102 6.082 1.00 0.00 H new ATOM 0 HE2 LYS A 38 4.150 5.532 7.784 1.00 0.00 H new ATOM 0 HE3 LYS A 38 3.969 4.343 6.509 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 6.061 4.016 7.722 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 6.381 4.445 6.110 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 6.556 5.597 7.345 1.00 0.00 H new ATOM 1044 N ARG A 39 1.997 4.079 1.908 1.00 0.00 N ATOM 1045 CA ARG A 39 2.344 2.810 1.179 1.00 0.00 C ATOM 1046 C ARG A 39 1.333 2.334 0.116 1.00 0.00 C ATOM 1047 O ARG A 39 0.133 2.427 0.279 1.00 0.00 O ATOM 1048 CB ARG A 39 2.452 1.784 2.320 1.00 0.00 C ATOM 1049 CG ARG A 39 2.658 0.369 1.767 1.00 0.00 C ATOM 1050 CD ARG A 39 1.543 -0.546 2.291 1.00 0.00 C ATOM 1051 NE ARG A 39 1.742 -0.610 3.777 1.00 0.00 N ATOM 1052 CZ ARG A 39 1.085 -1.494 4.489 1.00 0.00 C ATOM 1053 NH1 ARG A 39 1.547 -2.714 4.604 1.00 0.00 N ATOM 1054 NH2 ARG A 39 -0.011 -1.141 5.109 1.00 0.00 N ATOM 0 H ARG A 39 1.122 4.060 2.431 1.00 0.00 H new ATOM 0 HA ARG A 39 3.246 2.956 0.585 1.00 0.00 H new ATOM 0 HB2 ARG A 39 3.283 2.048 2.974 1.00 0.00 H new ATOM 0 HB3 ARG A 39 1.547 1.813 2.927 1.00 0.00 H new ATOM 0 HG2 ARG A 39 2.648 0.387 0.677 1.00 0.00 H new ATOM 0 HG3 ARG A 39 3.632 -0.015 2.071 1.00 0.00 H new ATOM 0 HD2 ARG A 39 0.559 -0.147 2.044 1.00 0.00 H new ATOM 0 HD3 ARG A 39 1.606 -1.538 1.843 1.00 0.00 H new ATOM 0 HE ARG A 39 2.388 0.034 4.233 1.00 0.00 H new ATOM 0 HH11 ARG A 39 2.417 -2.976 4.140 1.00 0.00 H new ATOM 0 HH12 ARG A 39 1.037 -3.402 5.157 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -0.351 -0.182 5.038 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -0.526 -1.825 5.664 1.00 0.00 H new ATOM 1068 N GLN A 40 1.849 1.696 -0.908 1.00 0.00 N ATOM 1069 CA GLN A 40 1.000 1.036 -1.949 1.00 0.00 C ATOM 1070 C GLN A 40 1.735 -0.256 -2.305 1.00 0.00 C ATOM 1071 O GLN A 40 2.919 -0.225 -2.605 1.00 0.00 O ATOM 1072 CB GLN A 40 0.913 1.949 -3.172 1.00 0.00 C ATOM 1073 CG GLN A 40 0.371 3.324 -2.778 1.00 0.00 C ATOM 1074 CD GLN A 40 -1.105 3.418 -3.157 1.00 0.00 C ATOM 1075 OE1 GLN A 40 -1.964 3.197 -2.336 1.00 0.00 O ATOM 1076 NE2 GLN A 40 -1.436 3.731 -4.378 1.00 0.00 N ATOM 0 H GLN A 40 2.852 1.604 -1.069 1.00 0.00 H new ATOM 0 HA GLN A 40 -0.015 0.838 -1.604 1.00 0.00 H new ATOM 0 HB2 GLN A 40 1.899 2.056 -3.624 1.00 0.00 H new ATOM 0 HB3 GLN A 40 0.265 1.498 -3.924 1.00 0.00 H new ATOM 0 HG2 GLN A 40 0.493 3.481 -1.706 1.00 0.00 H new ATOM 0 HG3 GLN A 40 0.937 4.108 -3.281 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -0.711 3.918 -5.071 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -2.420 3.789 -4.641 1.00 0.00 H new ATOM 1085 N CYS A 41 1.112 -1.397 -2.216 1.00 0.00 N ATOM 1086 CA CYS A 41 1.877 -2.645 -2.515 1.00 0.00 C ATOM 1087 C CYS A 41 1.040 -3.706 -3.218 1.00 0.00 C ATOM 1088 O CYS A 41 -0.149 -3.843 -2.972 1.00 0.00 O ATOM 1089 CB CYS A 41 2.286 -3.201 -1.148 1.00 0.00 C ATOM 1090 SG CYS A 41 3.029 -1.906 -0.128 1.00 0.00 S ATOM 0 H CYS A 41 0.133 -1.523 -1.957 1.00 0.00 H new ATOM 0 HA CYS A 41 2.710 -2.410 -3.177 1.00 0.00 H new ATOM 0 HB2 CYS A 41 1.413 -3.614 -0.642 1.00 0.00 H new ATOM 0 HB3 CYS A 41 2.995 -4.019 -1.280 1.00 0.00 H new ATOM 1095 N ARG A 42 1.684 -4.548 -3.992 1.00 0.00 N ATOM 1096 CA ARG A 42 0.956 -5.698 -4.589 1.00 0.00 C ATOM 1097 C ARG A 42 0.882 -6.679 -3.428 1.00 0.00 C ATOM 1098 O ARG A 42 1.908 -7.114 -2.935 1.00 0.00 O ATOM 1099 CB ARG A 42 1.839 -6.236 -5.725 1.00 0.00 C ATOM 1100 CG ARG A 42 1.793 -5.272 -6.916 1.00 0.00 C ATOM 1101 CD ARG A 42 0.456 -5.417 -7.652 1.00 0.00 C ATOM 1102 NE ARG A 42 0.816 -5.756 -9.061 1.00 0.00 N ATOM 1103 CZ ARG A 42 0.882 -7.009 -9.439 1.00 0.00 C ATOM 1104 NH1 ARG A 42 -0.204 -7.743 -9.447 1.00 0.00 N ATOM 1105 NH2 ARG A 42 2.030 -7.522 -9.798 1.00 0.00 N ATOM 0 H ARG A 42 2.674 -4.485 -4.231 1.00 0.00 H new ATOM 0 HA ARG A 42 -0.030 -5.483 -5.001 1.00 0.00 H new ATOM 0 HB2 ARG A 42 2.866 -6.351 -5.377 1.00 0.00 H new ATOM 0 HB3 ARG A 42 1.493 -7.224 -6.031 1.00 0.00 H new ATOM 0 HG2 ARG A 42 1.918 -4.246 -6.570 1.00 0.00 H new ATOM 0 HG3 ARG A 42 2.618 -5.482 -7.597 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -0.157 -6.199 -7.204 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -0.121 -4.493 -7.605 1.00 0.00 H new ATOM 0 HE ARG A 42 1.011 -5.011 -9.730 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -1.095 -7.338 -9.160 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -0.158 -8.719 -9.740 1.00 0.00 H new ATOM 0 HH21 ARG A 42 2.872 -6.947 -9.784 1.00 0.00 H new ATOM 0 HH22 ARG A 42 2.083 -8.497 -10.092 1.00 0.00 H new ATOM 1119 N SER A 43 -0.286 -6.941 -2.915 1.00 0.00 N ATOM 1120 CA SER A 43 -0.377 -7.804 -1.698 1.00 0.00 C ATOM 1121 C SER A 43 -1.315 -9.000 -1.874 1.00 0.00 C ATOM 1122 O SER A 43 -2.198 -8.999 -2.707 1.00 0.00 O ATOM 1123 CB SER A 43 -0.919 -6.867 -0.614 1.00 0.00 C ATOM 1124 OG SER A 43 -0.185 -5.637 -0.625 1.00 0.00 O ATOM 0 H SER A 43 -1.176 -6.600 -3.279 1.00 0.00 H new ATOM 0 HA SER A 43 0.593 -8.240 -1.461 1.00 0.00 H new ATOM 0 HB2 SER A 43 -1.977 -6.671 -0.786 1.00 0.00 H new ATOM 0 HB3 SER A 43 -0.837 -7.341 0.364 1.00 0.00 H new ATOM 0 HG SER A 43 -0.424 -5.106 0.163 1.00 0.00 H new ATOM 1251 N CYS A 52 6.112 -4.342 -1.528 1.00 0.00 N ATOM 1252 CA CYS A 52 5.619 -3.065 -0.934 1.00 0.00 C ATOM 1253 C CYS A 52 6.550 -1.914 -1.315 1.00 0.00 C ATOM 1254 O CYS A 52 7.755 -2.084 -1.386 1.00 0.00 O ATOM 1255 CB CYS A 52 5.649 -3.269 0.584 1.00 0.00 C ATOM 1256 SG CYS A 52 4.015 -2.941 1.298 1.00 0.00 S ATOM 0 HA CYS A 52 4.619 -2.819 -1.292 1.00 0.00 H new ATOM 0 HB2 CYS A 52 5.955 -4.289 0.814 1.00 0.00 H new ATOM 0 HB3 CYS A 52 6.389 -2.605 1.032 1.00 0.00 H new ATOM 1261 N TRP A 53 6.019 -0.743 -1.523 1.00 0.00 N ATOM 1262 CA TRP A 53 6.907 0.420 -1.850 1.00 0.00 C ATOM 1263 C TRP A 53 6.307 1.732 -1.321 1.00 0.00 C ATOM 1264 O TRP A 53 5.135 1.809 -0.992 1.00 0.00 O ATOM 1265 CB TRP A 53 7.087 0.421 -3.377 1.00 0.00 C ATOM 1266 CG TRP A 53 5.803 0.720 -4.085 1.00 0.00 C ATOM 1267 CD1 TRP A 53 5.261 1.948 -4.215 1.00 0.00 C ATOM 1268 CD2 TRP A 53 4.904 -0.199 -4.774 1.00 0.00 C ATOM 1269 NE1 TRP A 53 4.093 1.846 -4.945 1.00 0.00 N ATOM 1270 CE2 TRP A 53 3.829 0.545 -5.307 1.00 0.00 C ATOM 1271 CE3 TRP A 53 4.914 -1.593 -4.985 1.00 0.00 C ATOM 1272 CZ2 TRP A 53 2.808 -0.062 -6.025 1.00 0.00 C ATOM 1273 CZ3 TRP A 53 3.875 -2.208 -5.710 1.00 0.00 C ATOM 1274 CH2 TRP A 53 2.826 -1.444 -6.225 1.00 0.00 C ATOM 0 H TRP A 53 5.021 -0.536 -1.483 1.00 0.00 H new ATOM 0 HA TRP A 53 7.880 0.331 -1.366 1.00 0.00 H new ATOM 0 HB2 TRP A 53 7.837 1.162 -3.655 1.00 0.00 H new ATOM 0 HB3 TRP A 53 7.463 -0.550 -3.700 1.00 0.00 H new ATOM 0 HD1 TRP A 53 5.673 2.862 -3.814 1.00 0.00 H new ATOM 0 HE1 TRP A 53 3.498 2.639 -5.186 1.00 0.00 H new ATOM 0 HE3 TRP A 53 5.721 -2.191 -4.589 1.00 0.00 H new ATOM 0 HZ2 TRP A 53 2.002 0.533 -6.428 1.00 0.00 H new ATOM 0 HZ3 TRP A 53 3.890 -3.276 -5.868 1.00 0.00 H new ATOM 0 HH2 TRP A 53 2.030 -1.921 -6.777 1.00 0.00 H new ATOM 1285 N CYS A 54 7.119 2.756 -1.209 1.00 0.00 N ATOM 1286 CA CYS A 54 6.630 4.067 -0.671 1.00 0.00 C ATOM 1287 C CYS A 54 5.881 4.836 -1.746 1.00 0.00 C ATOM 1288 O CYS A 54 6.219 4.774 -2.918 1.00 0.00 O ATOM 1289 CB CYS A 54 7.890 4.833 -0.263 1.00 0.00 C ATOM 1290 SG CYS A 54 7.447 6.530 0.207 1.00 0.00 S ATOM 0 H CYS A 54 8.105 2.741 -1.468 1.00 0.00 H new ATOM 0 HA CYS A 54 5.944 3.929 0.165 1.00 0.00 H new ATOM 0 HB2 CYS A 54 8.379 4.330 0.571 1.00 0.00 H new ATOM 0 HB3 CYS A 54 8.602 4.848 -1.088 1.00 0.00 H new ATOM 0 HG CYS A 54 8.519 7.178 0.555 1.00 0.00 H new ATOM 1295 N VAL A 55 4.869 5.565 -1.362 1.00 0.00 N ATOM 1296 CA VAL A 55 4.081 6.346 -2.358 1.00 0.00 C ATOM 1297 C VAL A 55 3.682 7.703 -1.780 1.00 0.00 C ATOM 1298 O VAL A 55 3.791 7.933 -0.587 1.00 0.00 O ATOM 1299 CB VAL A 55 2.832 5.505 -2.628 1.00 0.00 C ATOM 1300 CG1 VAL A 55 3.250 4.125 -3.134 1.00 0.00 C ATOM 1301 CG2 VAL A 55 2.022 5.343 -1.336 1.00 0.00 C ATOM 0 H VAL A 55 4.552 5.654 -0.396 1.00 0.00 H new ATOM 0 HA VAL A 55 4.654 6.539 -3.265 1.00 0.00 H new ATOM 0 HB VAL A 55 2.219 6.005 -3.378 1.00 0.00 H new ATOM 0 HG11 VAL A 55 2.362 3.524 -3.327 1.00 0.00 H new ATOM 0 HG12 VAL A 55 3.822 4.233 -4.055 1.00 0.00 H new ATOM 0 HG13 VAL A 55 3.865 3.632 -2.381 1.00 0.00 H new ATOM 0 HG21 VAL A 55 1.134 4.743 -1.536 1.00 0.00 H new ATOM 0 HG22 VAL A 55 2.634 4.846 -0.583 1.00 0.00 H new ATOM 0 HG23 VAL A 55 1.722 6.325 -0.969 1.00 0.00 H new ATOM 1311 N ASP A 56 3.208 8.594 -2.607 1.00 0.00 N ATOM 1312 CA ASP A 56 2.771 9.923 -2.113 1.00 0.00 C ATOM 1313 C ASP A 56 1.246 9.931 -2.016 1.00 0.00 C ATOM 1314 O ASP A 56 0.595 8.959 -2.333 1.00 0.00 O ATOM 1315 CB ASP A 56 3.270 10.940 -3.147 1.00 0.00 C ATOM 1316 CG ASP A 56 2.282 11.046 -4.309 1.00 0.00 C ATOM 1317 OD1 ASP A 56 1.917 10.022 -4.856 1.00 0.00 O ATOM 1318 OD2 ASP A 56 1.905 12.160 -4.635 1.00 0.00 O ATOM 0 H ASP A 56 3.105 8.453 -3.612 1.00 0.00 H new ATOM 0 HA ASP A 56 3.167 10.161 -1.126 1.00 0.00 H new ATOM 0 HB2 ASP A 56 3.394 11.915 -2.677 1.00 0.00 H new ATOM 0 HB3 ASP A 56 4.249 10.639 -3.520 1.00 0.00 H new ATOM 1323 N ARG A 57 0.689 11.023 -1.584 1.00 0.00 N ATOM 1324 CA ARG A 57 -0.804 11.131 -1.442 1.00 0.00 C ATOM 1325 C ARG A 57 -1.549 10.584 -2.677 1.00 0.00 C ATOM 1326 O ARG A 57 -2.659 10.094 -2.566 1.00 0.00 O ATOM 1327 CB ARG A 57 -1.078 12.630 -1.267 1.00 0.00 C ATOM 1328 CG ARG A 57 -0.690 13.386 -2.546 1.00 0.00 C ATOM 1329 CD ARG A 57 -0.360 14.842 -2.214 1.00 0.00 C ATOM 1330 NE ARG A 57 1.078 14.832 -1.820 1.00 0.00 N ATOM 1331 CZ ARG A 57 1.978 15.335 -2.625 1.00 0.00 C ATOM 1332 NH1 ARG A 57 2.441 14.623 -3.623 1.00 0.00 N ATOM 1333 NH2 ARG A 57 2.404 16.551 -2.429 1.00 0.00 N ATOM 0 H ARG A 57 1.203 11.862 -1.317 1.00 0.00 H new ATOM 0 HA ARG A 57 -1.161 10.537 -0.600 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -2.133 12.792 -1.044 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -0.511 13.016 -0.420 1.00 0.00 H new ATOM 0 HG2 ARG A 57 0.170 12.907 -3.014 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -1.508 13.345 -3.265 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -0.529 15.491 -3.073 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -0.988 15.214 -1.405 1.00 0.00 H new ATOM 0 HE ARG A 57 1.359 14.434 -0.924 1.00 0.00 H new ATOM 0 HH11 ARG A 57 2.100 13.674 -3.774 1.00 0.00 H new ATOM 0 HH12 ARG A 57 3.143 15.018 -4.249 1.00 0.00 H new ATOM 0 HH21 ARG A 57 2.036 17.102 -1.653 1.00 0.00 H new ATOM 0 HH22 ARG A 57 3.106 16.952 -3.051 1.00 0.00 H new ATOM 1347 N MET A 58 -0.964 10.668 -3.844 1.00 0.00 N ATOM 1348 CA MET A 58 -1.654 10.156 -5.068 1.00 0.00 C ATOM 1349 C MET A 58 -1.502 8.641 -5.174 1.00 0.00 C ATOM 1350 O MET A 58 -2.283 7.974 -5.828 1.00 0.00 O ATOM 1351 CB MET A 58 -0.955 10.836 -6.241 1.00 0.00 C ATOM 1352 CG MET A 58 -0.977 12.352 -6.047 1.00 0.00 C ATOM 1353 SD MET A 58 -2.497 13.025 -6.762 1.00 0.00 S ATOM 1354 CE MET A 58 -3.551 12.851 -5.298 1.00 0.00 C ATOM 0 H MET A 58 -0.039 11.068 -4.003 1.00 0.00 H new ATOM 0 HA MET A 58 -2.723 10.370 -5.047 1.00 0.00 H new ATOM 0 HB2 MET A 58 0.074 10.485 -6.317 1.00 0.00 H new ATOM 0 HB3 MET A 58 -1.451 10.572 -7.175 1.00 0.00 H new ATOM 0 HG2 MET A 58 -0.922 12.595 -4.986 1.00 0.00 H new ATOM 0 HG3 MET A 58 -0.107 12.804 -6.523 1.00 0.00 H new ATOM 0 HE1 MET A 58 -4.403 12.214 -5.537 1.00 0.00 H new ATOM 0 HE2 MET A 58 -2.977 12.401 -4.488 1.00 0.00 H new ATOM 0 HE3 MET A 58 -3.908 13.833 -4.988 1.00 0.00 H new ATOM 1364 N GLY A 59 -0.516 8.092 -4.531 1.00 0.00 N ATOM 1365 CA GLY A 59 -0.318 6.620 -4.578 1.00 0.00 C ATOM 1366 C GLY A 59 0.767 6.246 -5.592 1.00 0.00 C ATOM 1367 O GLY A 59 0.903 5.084 -5.940 1.00 0.00 O ATOM 0 H GLY A 59 0.167 8.602 -3.971 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -0.039 6.255 -3.590 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -1.255 6.131 -4.845 1.00 0.00 H new ATOM 1371 N LYS A 60 1.554 7.192 -6.063 1.00 0.00 N ATOM 1372 CA LYS A 60 2.637 6.830 -7.034 1.00 0.00 C ATOM 1373 C LYS A 60 3.812 6.238 -6.246 1.00 0.00 C ATOM 1374 O LYS A 60 3.811 6.243 -5.040 1.00 0.00 O ATOM 1375 CB LYS A 60 3.021 8.130 -7.765 1.00 0.00 C ATOM 1376 CG LYS A 60 4.019 8.935 -6.930 1.00 0.00 C ATOM 1377 CD LYS A 60 4.146 10.357 -7.489 1.00 0.00 C ATOM 1378 CE LYS A 60 2.762 11.020 -7.592 1.00 0.00 C ATOM 1379 NZ LYS A 60 2.941 12.414 -7.082 1.00 0.00 N ATOM 0 H LYS A 60 1.493 8.181 -5.821 1.00 0.00 H new ATOM 0 HA LYS A 60 2.325 6.085 -7.766 1.00 0.00 H new ATOM 0 HB2 LYS A 60 3.456 7.894 -8.736 1.00 0.00 H new ATOM 0 HB3 LYS A 60 2.128 8.727 -7.952 1.00 0.00 H new ATOM 0 HG2 LYS A 60 3.690 8.972 -5.892 1.00 0.00 H new ATOM 0 HG3 LYS A 60 4.992 8.444 -6.939 1.00 0.00 H new ATOM 0 HD2 LYS A 60 4.794 10.951 -6.844 1.00 0.00 H new ATOM 0 HD3 LYS A 60 4.616 10.327 -8.472 1.00 0.00 H new ATOM 0 HE2 LYS A 60 2.405 11.023 -8.622 1.00 0.00 H new ATOM 0 HE3 LYS A 60 2.024 10.479 -7.000 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 2.361 12.549 -6.229 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 3.942 12.573 -6.849 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 2.644 13.092 -7.813 1.00 0.00 H new ATOM 1393 N SER A 61 4.799 5.714 -6.901 1.00 0.00 N ATOM 1394 CA SER A 61 5.939 5.101 -6.157 1.00 0.00 C ATOM 1395 C SER A 61 7.045 6.123 -5.887 1.00 0.00 C ATOM 1396 O SER A 61 7.683 6.628 -6.795 1.00 0.00 O ATOM 1397 CB SER A 61 6.451 3.975 -7.061 1.00 0.00 C ATOM 1398 OG SER A 61 5.345 3.286 -7.644 1.00 0.00 O ATOM 0 H SER A 61 4.873 5.680 -7.918 1.00 0.00 H new ATOM 0 HA SER A 61 5.625 4.733 -5.180 1.00 0.00 H new ATOM 0 HB2 SER A 61 7.090 4.385 -7.843 1.00 0.00 H new ATOM 0 HB3 SER A 61 7.061 3.281 -6.483 1.00 0.00 H new ATOM 0 HG SER A 61 4.870 2.783 -6.950 1.00 0.00 H new ATOM 1404 N LEU A 62 7.296 6.408 -4.640 1.00 0.00 N ATOM 1405 CA LEU A 62 8.385 7.366 -4.287 1.00 0.00 C ATOM 1406 C LEU A 62 9.694 6.579 -4.115 1.00 0.00 C ATOM 1407 O LEU A 62 9.663 5.368 -4.010 1.00 0.00 O ATOM 1408 CB LEU A 62 7.974 8.006 -2.956 1.00 0.00 C ATOM 1409 CG LEU A 62 6.736 8.892 -3.148 1.00 0.00 C ATOM 1410 CD1 LEU A 62 6.255 9.390 -1.786 1.00 0.00 C ATOM 1411 CD2 LEU A 62 7.086 10.101 -4.017 1.00 0.00 C ATOM 0 H LEU A 62 6.792 6.017 -3.844 1.00 0.00 H new ATOM 0 HA LEU A 62 8.536 8.126 -5.054 1.00 0.00 H new ATOM 0 HB2 LEU A 62 7.762 7.229 -2.222 1.00 0.00 H new ATOM 0 HB3 LEU A 62 8.798 8.601 -2.562 1.00 0.00 H new ATOM 0 HG LEU A 62 5.955 8.308 -3.634 1.00 0.00 H new ATOM 0 HD11 LEU A 62 5.375 10.020 -1.919 1.00 0.00 H new ATOM 0 HD12 LEU A 62 5.999 8.538 -1.157 1.00 0.00 H new ATOM 0 HD13 LEU A 62 7.047 9.968 -1.310 1.00 0.00 H new ATOM 0 HD21 LEU A 62 6.201 10.724 -4.148 1.00 0.00 H new ATOM 0 HD22 LEU A 62 7.871 10.682 -3.533 1.00 0.00 H new ATOM 0 HD23 LEU A 62 7.436 9.760 -4.991 1.00 0.00 H new