USER MOD reduce.3.24.130724 H: found=0, std=0, add=390, rem=0, adj=12 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 100:sc= -0.0988 USER MOD Set 1.2: A 40 GLN : amide:sc= -2.14 K(o=-2.2,f=-7.8!) USER MOD Set 2.1: A 6 HIS : no HE2:sc= 2.04 K(o=2.9,f=-5.3!) USER MOD Set 2.2: A 36 TYR OH : rot 10:sc= 0.846 USER MOD Single : A 1 GLY N :NH3+ 180:sc= -0.563 (180deg=-0.563) USER MOD Single : A 9 SER OG : rot 89:sc= 1.2 USER MOD Single : A 12 GLN : amide:sc= -1.26 X(o=-1.3,f=-1.1) USER MOD Single : A 13 GLN : amide:sc= -0.0884 X(o=-0.088,f=-0.53) USER MOD Single : A 15 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 THR OG1 : rot -19:sc= 0.917 USER MOD Single : A 29 ASN : amide:sc= -1.5! C(o=-1.5!,f=-10!) USER MOD Single : A 32 HIS : no HD1:sc= 0 X(o=0,f=-0.066) USER MOD Single : A 38 LYS NZ :NH3+ -161:sc= -0.0391 (180deg=-0.397) USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 54 CYS SG : rot -28:sc= 0.205 USER MOD Single : A 58 MET CE :methyl -173:sc= -1.65 (180deg=-1.85) USER MOD Single : A 60 LYS NZ :NH3+ -144:sc= 0.694 (180deg=-2.82!) USER MOD Single : A 61 SER OG : rot -62:sc= 1.2 USER MOD ----------------------------------------------------------------- ATOM 422 N GLY A 1 -11.954 9.607 0.023 1.00 0.00 N ATOM 423 CA GLY A 1 -11.106 10.057 -1.120 1.00 0.00 C ATOM 424 C GLY A 1 -10.999 8.925 -2.152 1.00 0.00 C ATOM 425 O GLY A 1 -11.684 7.922 -2.041 1.00 0.00 O ATOM 0 H1 GLY A 1 -12.028 10.373 0.723 1.00 0.00 H new ATOM 0 H2 GLY A 1 -12.903 9.363 -0.324 1.00 0.00 H new ATOM 0 H3 GLY A 1 -11.523 8.772 0.468 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -11.539 10.945 -1.581 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -10.114 10.335 -0.764 1.00 0.00 H new ATOM 429 N PRO A 2 -10.140 9.122 -3.125 1.00 0.00 N ATOM 430 CA PRO A 2 -9.945 8.108 -4.199 1.00 0.00 C ATOM 431 C PRO A 2 -9.350 6.806 -3.648 1.00 0.00 C ATOM 432 O PRO A 2 -9.652 5.728 -4.132 1.00 0.00 O ATOM 433 CB PRO A 2 -8.987 8.792 -5.174 1.00 0.00 C ATOM 434 CG PRO A 2 -8.275 9.820 -4.353 1.00 0.00 C ATOM 435 CD PRO A 2 -9.260 10.288 -3.316 1.00 0.00 C ATOM 0 HA PRO A 2 -10.883 7.812 -4.668 1.00 0.00 H new ATOM 0 HB2 PRO A 2 -8.287 8.078 -5.607 1.00 0.00 H new ATOM 0 HB3 PRO A 2 -9.527 9.252 -6.002 1.00 0.00 H new ATOM 0 HG2 PRO A 2 -7.388 9.396 -3.883 1.00 0.00 H new ATOM 0 HG3 PRO A 2 -7.941 10.651 -4.975 1.00 0.00 H new ATOM 0 HD2 PRO A 2 -8.762 10.571 -2.389 1.00 0.00 H new ATOM 0 HD3 PRO A 2 -9.818 11.160 -3.657 1.00 0.00 H new ATOM 443 N CYS A 3 -8.524 6.875 -2.633 1.00 0.00 N ATOM 444 CA CYS A 3 -7.957 5.612 -2.072 1.00 0.00 C ATOM 445 C CYS A 3 -9.074 4.838 -1.373 1.00 0.00 C ATOM 446 O CYS A 3 -9.203 3.637 -1.530 1.00 0.00 O ATOM 447 CB CYS A 3 -6.888 6.010 -1.062 1.00 0.00 C ATOM 448 SG CYS A 3 -6.636 4.631 0.088 1.00 0.00 S ATOM 0 H CYS A 3 -8.223 7.736 -2.176 1.00 0.00 H new ATOM 0 HA CYS A 3 -7.529 4.983 -2.852 1.00 0.00 H new ATOM 0 HB2 CYS A 3 -5.956 6.251 -1.573 1.00 0.00 H new ATOM 0 HB3 CYS A 3 -7.195 6.904 -0.519 1.00 0.00 H new ATOM 453 N ARG A 4 -9.890 5.521 -0.602 1.00 0.00 N ATOM 454 CA ARG A 4 -11.009 4.829 0.104 1.00 0.00 C ATOM 455 C ARG A 4 -11.857 4.058 -0.908 1.00 0.00 C ATOM 456 O ARG A 4 -12.269 2.943 -0.655 1.00 0.00 O ATOM 457 CB ARG A 4 -11.827 5.953 0.748 1.00 0.00 C ATOM 458 CG ARG A 4 -13.068 5.369 1.434 1.00 0.00 C ATOM 459 CD ARG A 4 -12.647 4.426 2.568 1.00 0.00 C ATOM 460 NE ARG A 4 -12.943 3.055 2.059 1.00 0.00 N ATOM 461 CZ ARG A 4 -13.438 2.155 2.866 1.00 0.00 C ATOM 462 NH1 ARG A 4 -12.702 1.676 3.831 1.00 0.00 N ATOM 463 NH2 ARG A 4 -14.665 1.739 2.701 1.00 0.00 N ATOM 0 H ARG A 4 -9.827 6.525 -0.434 1.00 0.00 H new ATOM 0 HA ARG A 4 -10.657 4.111 0.845 1.00 0.00 H new ATOM 0 HB2 ARG A 4 -11.216 6.488 1.476 1.00 0.00 H new ATOM 0 HB3 ARG A 4 -12.127 6.677 -0.010 1.00 0.00 H new ATOM 0 HG2 ARG A 4 -13.687 6.174 1.830 1.00 0.00 H new ATOM 0 HG3 ARG A 4 -13.675 4.829 0.707 1.00 0.00 H new ATOM 0 HD2 ARG A 4 -11.589 4.540 2.804 1.00 0.00 H new ATOM 0 HD3 ARG A 4 -13.202 4.636 3.483 1.00 0.00 H new ATOM 0 HE ARG A 4 -12.759 2.821 1.083 1.00 0.00 H new ATOM 0 HH11 ARG A 4 -11.744 2.004 3.953 1.00 0.00 H new ATOM 0 HH12 ARG A 4 -13.085 0.973 4.463 1.00 0.00 H new ATOM 0 HH21 ARG A 4 -15.234 2.117 1.943 1.00 0.00 H new ATOM 0 HH22 ARG A 4 -15.054 1.036 3.330 1.00 0.00 H new ATOM 477 N ARG A 5 -12.101 4.635 -2.058 1.00 0.00 N ATOM 478 CA ARG A 5 -12.908 3.929 -3.102 1.00 0.00 C ATOM 479 C ARG A 5 -12.160 2.672 -3.539 1.00 0.00 C ATOM 480 O ARG A 5 -12.739 1.612 -3.691 1.00 0.00 O ATOM 481 CB ARG A 5 -13.036 4.919 -4.270 1.00 0.00 C ATOM 482 CG ARG A 5 -13.568 6.264 -3.765 1.00 0.00 C ATOM 483 CD ARG A 5 -15.098 6.254 -3.772 1.00 0.00 C ATOM 484 NE ARG A 5 -15.502 5.782 -2.418 1.00 0.00 N ATOM 485 CZ ARG A 5 -16.714 5.334 -2.228 1.00 0.00 C ATOM 486 NH1 ARG A 5 -16.984 4.069 -2.429 1.00 0.00 N ATOM 487 NH2 ARG A 5 -17.646 6.157 -1.834 1.00 0.00 N ATOM 0 H ARG A 5 -11.776 5.566 -2.320 1.00 0.00 H new ATOM 0 HA ARG A 5 -13.890 3.625 -2.740 1.00 0.00 H new ATOM 0 HB2 ARG A 5 -12.066 5.059 -4.746 1.00 0.00 H new ATOM 0 HB3 ARG A 5 -13.708 4.515 -5.027 1.00 0.00 H new ATOM 0 HG2 ARG A 5 -13.201 6.454 -2.756 1.00 0.00 H new ATOM 0 HG3 ARG A 5 -13.198 7.072 -4.396 1.00 0.00 H new ATOM 0 HD2 ARG A 5 -15.495 7.248 -3.975 1.00 0.00 H new ATOM 0 HD3 ARG A 5 -15.482 5.592 -4.548 1.00 0.00 H new ATOM 0 HE ARG A 5 -14.837 5.809 -1.645 1.00 0.00 H new ATOM 0 HH11 ARG A 5 -16.248 3.433 -2.734 1.00 0.00 H new ATOM 0 HH12 ARG A 5 -17.931 3.720 -2.280 1.00 0.00 H new ATOM 0 HH21 ARG A 5 -17.425 7.140 -1.677 1.00 0.00 H new ATOM 0 HH22 ARG A 5 -18.596 5.817 -1.683 1.00 0.00 H new ATOM 501 N HIS A 6 -10.870 2.778 -3.729 1.00 0.00 N ATOM 502 CA HIS A 6 -10.072 1.586 -4.139 1.00 0.00 C ATOM 503 C HIS A 6 -10.027 0.582 -2.986 1.00 0.00 C ATOM 504 O HIS A 6 -10.311 -0.586 -3.165 1.00 0.00 O ATOM 505 CB HIS A 6 -8.667 2.114 -4.451 1.00 0.00 C ATOM 506 CG HIS A 6 -8.645 2.691 -5.843 1.00 0.00 C ATOM 507 ND1 HIS A 6 -8.786 4.051 -6.085 1.00 0.00 N ATOM 508 CD2 HIS A 6 -8.495 2.107 -7.082 1.00 0.00 C ATOM 509 CE1 HIS A 6 -8.715 4.237 -7.417 1.00 0.00 C ATOM 510 NE2 HIS A 6 -8.537 3.086 -8.070 1.00 0.00 N ATOM 0 H HIS A 6 -10.335 3.639 -3.618 1.00 0.00 H new ATOM 0 HA HIS A 6 -10.502 1.077 -5.002 1.00 0.00 H new ATOM 0 HB2 HIS A 6 -8.384 2.876 -3.725 1.00 0.00 H new ATOM 0 HB3 HIS A 6 -7.937 1.308 -4.368 1.00 0.00 H new ATOM 0 HD1 HIS A 6 -8.919 4.777 -5.382 1.00 0.00 H new ATOM 0 HD2 HIS A 6 -8.365 1.050 -7.259 1.00 0.00 H new ATOM 0 HE1 HIS A 6 -8.793 5.201 -7.899 1.00 0.00 H new ATOM 518 N LEU A 7 -9.695 1.033 -1.798 1.00 0.00 N ATOM 519 CA LEU A 7 -9.651 0.101 -0.624 1.00 0.00 C ATOM 520 C LEU A 7 -11.031 -0.546 -0.441 1.00 0.00 C ATOM 521 O LEU A 7 -11.144 -1.742 -0.274 1.00 0.00 O ATOM 522 CB LEU A 7 -9.307 0.974 0.592 1.00 0.00 C ATOM 523 CG LEU A 7 -7.914 0.620 1.114 1.00 0.00 C ATOM 524 CD1 LEU A 7 -7.572 1.516 2.306 1.00 0.00 C ATOM 525 CD2 LEU A 7 -7.883 -0.841 1.565 1.00 0.00 C ATOM 0 H LEU A 7 -9.454 2.002 -1.591 1.00 0.00 H new ATOM 0 HA LEU A 7 -8.920 -0.697 -0.757 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -9.344 2.028 0.315 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -10.047 0.825 1.378 1.00 0.00 H new ATOM 0 HG LEU A 7 -7.187 0.771 0.316 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -6.579 1.263 2.678 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -7.588 2.560 1.993 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -8.306 1.364 3.098 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -6.888 -1.086 1.936 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -8.614 -0.992 2.360 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -8.126 -1.487 0.722 1.00 0.00 H new ATOM 537 N ASP A 8 -12.082 0.246 -0.494 1.00 0.00 N ATOM 538 CA ASP A 8 -13.472 -0.305 -0.347 1.00 0.00 C ATOM 539 C ASP A 8 -13.703 -1.381 -1.415 1.00 0.00 C ATOM 540 O ASP A 8 -14.185 -2.466 -1.134 1.00 0.00 O ATOM 541 CB ASP A 8 -14.394 0.906 -0.582 1.00 0.00 C ATOM 542 CG ASP A 8 -15.852 0.520 -0.352 1.00 0.00 C ATOM 543 OD1 ASP A 8 -16.394 -0.195 -1.173 1.00 0.00 O ATOM 544 OD2 ASP A 8 -16.412 0.965 0.633 1.00 0.00 O ATOM 0 H ASP A 8 -12.035 1.255 -0.634 1.00 0.00 H new ATOM 0 HA ASP A 8 -13.652 -0.768 0.623 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -14.116 1.718 0.090 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -14.266 1.276 -1.599 1.00 0.00 H new ATOM 549 N SER A 9 -13.340 -1.088 -2.634 1.00 0.00 N ATOM 550 CA SER A 9 -13.503 -2.075 -3.738 1.00 0.00 C ATOM 551 C SER A 9 -12.556 -3.255 -3.509 1.00 0.00 C ATOM 552 O SER A 9 -12.952 -4.403 -3.600 1.00 0.00 O ATOM 553 CB SER A 9 -13.143 -1.315 -5.018 1.00 0.00 C ATOM 554 OG SER A 9 -13.945 -0.138 -5.108 1.00 0.00 O ATOM 0 H SER A 9 -12.933 -0.196 -2.915 1.00 0.00 H new ATOM 0 HA SER A 9 -14.513 -2.481 -3.796 1.00 0.00 H new ATOM 0 HB2 SER A 9 -12.086 -1.049 -5.012 1.00 0.00 H new ATOM 0 HB3 SER A 9 -13.307 -1.949 -5.890 1.00 0.00 H new ATOM 0 HG SER A 9 -13.495 0.600 -4.646 1.00 0.00 H new ATOM 560 N VAL A 10 -11.316 -2.992 -3.176 1.00 0.00 N ATOM 561 CA VAL A 10 -10.377 -4.117 -2.908 1.00 0.00 C ATOM 562 C VAL A 10 -10.928 -4.927 -1.732 1.00 0.00 C ATOM 563 O VAL A 10 -10.950 -6.140 -1.760 1.00 0.00 O ATOM 564 CB VAL A 10 -9.030 -3.458 -2.552 1.00 0.00 C ATOM 565 CG1 VAL A 10 -8.019 -4.523 -2.126 1.00 0.00 C ATOM 566 CG2 VAL A 10 -8.475 -2.722 -3.775 1.00 0.00 C ATOM 0 H VAL A 10 -10.920 -2.057 -3.080 1.00 0.00 H new ATOM 0 HA VAL A 10 -10.257 -4.793 -3.755 1.00 0.00 H new ATOM 0 HB VAL A 10 -9.193 -2.757 -1.734 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -7.071 -4.046 -1.877 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -8.397 -5.056 -1.254 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -7.867 -5.228 -2.943 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -7.523 -2.258 -3.519 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -8.326 -3.431 -4.589 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -9.181 -1.953 -4.088 1.00 0.00 H new ATOM 576 N LEU A 11 -11.390 -4.255 -0.708 1.00 0.00 N ATOM 577 CA LEU A 11 -11.957 -4.967 0.476 1.00 0.00 C ATOM 578 C LEU A 11 -13.185 -5.790 0.073 1.00 0.00 C ATOM 579 O LEU A 11 -13.301 -6.951 0.431 1.00 0.00 O ATOM 580 CB LEU A 11 -12.353 -3.859 1.468 1.00 0.00 C ATOM 581 CG LEU A 11 -13.452 -4.351 2.425 1.00 0.00 C ATOM 582 CD1 LEU A 11 -12.862 -5.343 3.427 1.00 0.00 C ATOM 583 CD2 LEU A 11 -14.034 -3.159 3.188 1.00 0.00 C ATOM 0 H LEU A 11 -11.398 -3.237 -0.642 1.00 0.00 H new ATOM 0 HA LEU A 11 -11.240 -5.664 0.910 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -11.479 -3.547 2.040 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -12.705 -2.984 0.922 1.00 0.00 H new ATOM 0 HG LEU A 11 -14.235 -4.840 1.846 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -13.645 -5.688 4.102 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -12.443 -6.195 2.892 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -12.076 -4.854 4.003 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -14.813 -3.507 3.867 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -13.244 -2.673 3.761 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -14.460 -2.447 2.481 1.00 0.00 H new ATOM 595 N GLN A 12 -14.109 -5.204 -0.652 1.00 0.00 N ATOM 596 CA GLN A 12 -15.327 -5.979 -1.045 1.00 0.00 C ATOM 597 C GLN A 12 -14.958 -7.084 -2.051 1.00 0.00 C ATOM 598 O GLN A 12 -15.420 -8.202 -1.949 1.00 0.00 O ATOM 599 CB GLN A 12 -16.311 -4.953 -1.654 1.00 0.00 C ATOM 600 CG GLN A 12 -15.869 -4.553 -3.064 1.00 0.00 C ATOM 601 CD GLN A 12 -16.806 -3.482 -3.618 1.00 0.00 C ATOM 602 OE1 GLN A 12 -17.489 -3.709 -4.595 1.00 0.00 O ATOM 603 NE2 GLN A 12 -16.864 -2.317 -3.044 1.00 0.00 N ATOM 0 H GLN A 12 -14.074 -4.240 -0.983 1.00 0.00 H new ATOM 0 HA GLN A 12 -15.781 -6.483 -0.192 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -17.314 -5.379 -1.689 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -16.362 -4.069 -1.019 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -14.846 -4.177 -3.041 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -15.873 -5.426 -3.717 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -16.291 -2.124 -2.223 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -17.483 -1.596 -3.415 1.00 0.00 H new ATOM 612 N GLN A 13 -14.134 -6.773 -3.019 1.00 0.00 N ATOM 613 CA GLN A 13 -13.734 -7.793 -4.040 1.00 0.00 C ATOM 614 C GLN A 13 -12.776 -8.846 -3.464 1.00 0.00 C ATOM 615 O GLN A 13 -12.749 -9.959 -3.923 1.00 0.00 O ATOM 616 CB GLN A 13 -13.037 -7.004 -5.153 1.00 0.00 C ATOM 617 CG GLN A 13 -14.086 -6.433 -6.113 1.00 0.00 C ATOM 618 CD GLN A 13 -13.636 -5.050 -6.603 1.00 0.00 C ATOM 619 OE1 GLN A 13 -12.452 -4.792 -6.740 1.00 0.00 O ATOM 620 NE2 GLN A 13 -14.532 -4.147 -6.883 1.00 0.00 N ATOM 0 H GLN A 13 -13.718 -5.851 -3.148 1.00 0.00 H new ATOM 0 HA GLN A 13 -14.606 -8.342 -4.395 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -12.444 -6.196 -4.724 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -12.348 -7.652 -5.695 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -14.221 -7.104 -6.961 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -15.050 -6.356 -5.610 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -15.523 -4.360 -6.770 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -14.243 -3.227 -7.216 1.00 0.00 H new ATOM 629 N LEU A 14 -11.954 -8.490 -2.515 1.00 0.00 N ATOM 630 CA LEU A 14 -10.940 -9.461 -1.973 1.00 0.00 C ATOM 631 C LEU A 14 -11.530 -10.833 -1.616 1.00 0.00 C ATOM 632 O LEU A 14 -10.849 -11.835 -1.739 1.00 0.00 O ATOM 633 CB LEU A 14 -10.382 -8.805 -0.707 1.00 0.00 C ATOM 634 CG LEU A 14 -8.861 -8.701 -0.812 1.00 0.00 C ATOM 635 CD1 LEU A 14 -8.324 -7.887 0.364 1.00 0.00 C ATOM 636 CD2 LEU A 14 -8.247 -10.101 -0.777 1.00 0.00 C ATOM 0 H LEU A 14 -11.935 -7.565 -2.085 1.00 0.00 H new ATOM 0 HA LEU A 14 -10.185 -9.657 -2.734 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -10.816 -7.814 -0.577 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -10.657 -9.391 0.170 1.00 0.00 H new ATOM 0 HG LEU A 14 -8.597 -8.211 -1.749 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -7.239 -7.812 0.290 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -8.759 -6.888 0.343 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -8.591 -8.379 1.299 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -7.162 -10.025 -0.852 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -8.512 -10.591 0.160 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -8.628 -10.686 -1.614 1.00 0.00 H new ATOM 648 N GLN A 15 -12.755 -10.913 -1.161 1.00 0.00 N ATOM 649 CA GLN A 15 -13.298 -12.263 -0.797 1.00 0.00 C ATOM 650 C GLN A 15 -13.688 -13.072 -2.038 1.00 0.00 C ATOM 651 O GLN A 15 -13.698 -14.286 -2.014 1.00 0.00 O ATOM 652 CB GLN A 15 -14.505 -12.007 0.114 1.00 0.00 C ATOM 653 CG GLN A 15 -14.025 -11.804 1.556 1.00 0.00 C ATOM 654 CD GLN A 15 -14.171 -13.112 2.340 1.00 0.00 C ATOM 655 OE1 GLN A 15 -15.126 -13.292 3.067 1.00 0.00 O ATOM 656 NE2 GLN A 15 -13.254 -14.031 2.238 1.00 0.00 N ATOM 0 H GLN A 15 -13.391 -10.126 -1.027 1.00 0.00 H new ATOM 0 HA GLN A 15 -12.543 -12.862 -0.287 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -15.050 -11.127 -0.226 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -15.196 -12.849 0.065 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -12.984 -11.481 1.560 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -14.606 -11.015 2.035 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -12.450 -13.884 1.628 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -13.340 -14.898 2.768 1.00 0.00 H new ATOM 665 N THR A 16 -13.973 -12.419 -3.114 1.00 0.00 N ATOM 666 CA THR A 16 -14.324 -13.135 -4.367 1.00 0.00 C ATOM 667 C THR A 16 -13.120 -13.046 -5.301 1.00 0.00 C ATOM 668 O THR A 16 -12.723 -14.004 -5.943 1.00 0.00 O ATOM 669 CB THR A 16 -15.507 -12.339 -4.915 1.00 0.00 C ATOM 670 OG1 THR A 16 -16.723 -12.849 -4.378 1.00 0.00 O ATOM 671 CG2 THR A 16 -15.539 -12.418 -6.438 1.00 0.00 C ATOM 0 H THR A 16 -13.979 -11.402 -3.186 1.00 0.00 H new ATOM 0 HA THR A 16 -14.573 -14.189 -4.241 1.00 0.00 H new ATOM 0 HB THR A 16 -15.394 -11.296 -4.621 1.00 0.00 H new ATOM 0 HG1 THR A 16 -17.478 -12.334 -4.731 1.00 0.00 H new ATOM 0 HG21 THR A 16 -16.387 -11.846 -6.814 1.00 0.00 H new ATOM 0 HG22 THR A 16 -14.615 -12.006 -6.843 1.00 0.00 H new ATOM 0 HG23 THR A 16 -15.638 -13.459 -6.746 1.00 0.00 H new ATOM 679 N GLU A 17 -12.522 -11.895 -5.331 1.00 0.00 N ATOM 680 CA GLU A 17 -11.319 -11.677 -6.163 1.00 0.00 C ATOM 681 C GLU A 17 -10.101 -11.925 -5.287 1.00 0.00 C ATOM 682 O GLU A 17 -9.259 -11.062 -5.101 1.00 0.00 O ATOM 683 CB GLU A 17 -11.389 -10.219 -6.624 1.00 0.00 C ATOM 684 CG GLU A 17 -12.715 -9.970 -7.361 1.00 0.00 C ATOM 685 CD GLU A 17 -12.445 -9.277 -8.695 1.00 0.00 C ATOM 686 OE1 GLU A 17 -11.625 -9.774 -9.446 1.00 0.00 O ATOM 687 OE2 GLU A 17 -13.051 -8.254 -8.942 1.00 0.00 O ATOM 0 H GLU A 17 -12.825 -11.078 -4.801 1.00 0.00 H new ATOM 0 HA GLU A 17 -11.259 -12.339 -7.027 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -11.308 -9.552 -5.766 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -10.549 -9.995 -7.282 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -13.230 -10.915 -7.530 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -13.372 -9.354 -6.747 1.00 0.00 H new ATOM 789 N THR A 24 -0.655 -10.976 -7.013 1.00 0.00 N ATOM 790 CA THR A 24 0.182 -9.730 -6.936 1.00 0.00 C ATOM 791 C THR A 24 -0.669 -8.482 -7.098 1.00 0.00 C ATOM 792 O THR A 24 -0.260 -7.506 -7.705 1.00 0.00 O ATOM 793 CB THR A 24 1.221 -9.821 -8.047 1.00 0.00 C ATOM 794 OG1 THR A 24 0.895 -10.859 -8.974 1.00 0.00 O ATOM 795 CG2 THR A 24 2.554 -10.102 -7.383 1.00 0.00 C ATOM 0 HA THR A 24 0.661 -9.656 -5.960 1.00 0.00 H new ATOM 0 HB THR A 24 1.254 -8.890 -8.614 1.00 0.00 H new ATOM 0 HG1 THR A 24 0.265 -11.483 -8.558 1.00 0.00 H new ATOM 0 HG21 THR A 24 3.331 -10.176 -8.144 1.00 0.00 H new ATOM 0 HG22 THR A 24 2.796 -9.292 -6.695 1.00 0.00 H new ATOM 0 HG23 THR A 24 2.495 -11.041 -6.832 1.00 0.00 H new ATOM 803 N LEU A 25 -1.843 -8.507 -6.581 1.00 0.00 N ATOM 804 CA LEU A 25 -2.729 -7.329 -6.731 1.00 0.00 C ATOM 805 C LEU A 25 -2.356 -6.292 -5.687 1.00 0.00 C ATOM 806 O LEU A 25 -1.733 -6.588 -4.692 1.00 0.00 O ATOM 807 CB LEU A 25 -4.156 -7.845 -6.580 1.00 0.00 C ATOM 808 CG LEU A 25 -4.740 -8.089 -7.978 1.00 0.00 C ATOM 809 CD1 LEU A 25 -4.085 -9.317 -8.611 1.00 0.00 C ATOM 810 CD2 LEU A 25 -6.243 -8.324 -7.879 1.00 0.00 C ATOM 0 H LEU A 25 -2.237 -9.289 -6.058 1.00 0.00 H new ATOM 0 HA LEU A 25 -2.629 -6.838 -7.699 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -4.165 -8.768 -6.000 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -4.764 -7.122 -6.037 1.00 0.00 H new ATOM 0 HG LEU A 25 -4.546 -7.212 -8.595 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -4.505 -9.483 -9.603 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -3.011 -9.154 -8.695 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -4.272 -10.191 -7.987 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -6.651 -8.496 -8.875 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -6.435 -9.195 -7.253 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -6.720 -7.448 -7.438 1.00 0.00 H new ATOM 822 N TYR A 26 -2.660 -5.071 -5.957 1.00 0.00 N ATOM 823 CA TYR A 26 -2.248 -3.974 -5.036 1.00 0.00 C ATOM 824 C TYR A 26 -3.419 -3.332 -4.269 1.00 0.00 C ATOM 825 O TYR A 26 -4.465 -3.038 -4.822 1.00 0.00 O ATOM 826 CB TYR A 26 -1.579 -2.939 -5.961 1.00 0.00 C ATOM 827 CG TYR A 26 -1.829 -1.552 -5.424 1.00 0.00 C ATOM 828 CD1 TYR A 26 -1.124 -1.107 -4.308 1.00 0.00 C ATOM 829 CD2 TYR A 26 -2.791 -0.733 -6.024 1.00 0.00 C ATOM 830 CE1 TYR A 26 -1.382 0.161 -3.782 1.00 0.00 C ATOM 831 CE2 TYR A 26 -3.046 0.537 -5.505 1.00 0.00 C ATOM 832 CZ TYR A 26 -2.343 0.984 -4.382 1.00 0.00 C ATOM 833 OH TYR A 26 -2.610 2.228 -3.855 1.00 0.00 O ATOM 0 H TYR A 26 -3.181 -4.771 -6.781 1.00 0.00 H new ATOM 0 HA TYR A 26 -1.593 -4.357 -4.253 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -0.508 -3.129 -6.023 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -1.977 -3.027 -6.972 1.00 0.00 H new ATOM 0 HD1 TYR A 26 -0.379 -1.741 -3.850 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -3.336 -1.083 -6.888 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -0.841 0.506 -2.913 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -3.785 1.173 -5.970 1.00 0.00 H new ATOM 0 HH TYR A 26 -2.143 2.912 -4.379 1.00 0.00 H new ATOM 843 N VAL A 27 -3.200 -3.058 -3.002 1.00 0.00 N ATOM 844 CA VAL A 27 -4.221 -2.366 -2.167 1.00 0.00 C ATOM 845 C VAL A 27 -3.552 -1.124 -1.549 1.00 0.00 C ATOM 846 O VAL A 27 -2.370 -1.150 -1.210 1.00 0.00 O ATOM 847 CB VAL A 27 -4.712 -3.348 -1.097 1.00 0.00 C ATOM 848 CG1 VAL A 27 -4.831 -4.748 -1.681 1.00 0.00 C ATOM 849 CG2 VAL A 27 -3.763 -3.374 0.092 1.00 0.00 C ATOM 0 H VAL A 27 -2.339 -3.292 -2.508 1.00 0.00 H new ATOM 0 HA VAL A 27 -5.085 -2.043 -2.749 1.00 0.00 H new ATOM 0 HB VAL A 27 -5.692 -3.012 -0.757 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -5.181 -5.435 -0.910 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -5.541 -4.738 -2.508 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -3.857 -5.075 -2.044 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -4.133 -4.078 0.837 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -2.772 -3.684 -0.240 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -3.703 -2.378 0.532 1.00 0.00 H new ATOM 859 N PRO A 28 -4.305 -0.066 -1.489 1.00 0.00 N ATOM 860 CA PRO A 28 -3.780 1.226 -0.986 1.00 0.00 C ATOM 861 C PRO A 28 -3.798 1.326 0.553 1.00 0.00 C ATOM 862 O PRO A 28 -4.678 0.809 1.214 1.00 0.00 O ATOM 863 CB PRO A 28 -4.737 2.240 -1.612 1.00 0.00 C ATOM 864 CG PRO A 28 -6.019 1.499 -1.877 1.00 0.00 C ATOM 865 CD PRO A 28 -5.713 0.021 -1.875 1.00 0.00 C ATOM 0 HA PRO A 28 -2.733 1.377 -1.249 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -4.906 3.082 -0.941 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -4.324 2.646 -2.535 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -6.760 1.736 -1.114 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -6.441 1.799 -2.836 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -6.350 -0.514 -1.171 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -5.882 -0.420 -2.857 1.00 0.00 H new ATOM 873 N ASN A 29 -2.838 2.028 1.115 1.00 0.00 N ATOM 874 CA ASN A 29 -2.785 2.227 2.601 1.00 0.00 C ATOM 875 C ASN A 29 -3.142 3.672 2.888 1.00 0.00 C ATOM 876 O ASN A 29 -2.470 4.571 2.414 1.00 0.00 O ATOM 877 CB ASN A 29 -1.337 2.023 2.996 1.00 0.00 C ATOM 878 CG ASN A 29 -1.254 1.678 4.486 1.00 0.00 C ATOM 879 OD1 ASN A 29 -1.099 0.528 4.846 1.00 0.00 O ATOM 880 ND2 ASN A 29 -1.345 2.625 5.375 1.00 0.00 N ATOM 0 H ASN A 29 -2.080 2.476 0.600 1.00 0.00 H new ATOM 0 HA ASN A 29 -3.458 1.553 3.132 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -0.897 1.222 2.402 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -0.762 2.926 2.789 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -1.286 2.400 6.368 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -1.475 3.592 5.078 1.00 0.00 H new ATOM 887 N CYS A 30 -4.190 3.934 3.606 1.00 0.00 N ATOM 888 CA CYS A 30 -4.546 5.359 3.820 1.00 0.00 C ATOM 889 C CYS A 30 -5.022 5.682 5.274 1.00 0.00 C ATOM 890 O CYS A 30 -5.504 4.837 6.000 1.00 0.00 O ATOM 891 CB CYS A 30 -5.639 5.548 2.788 1.00 0.00 C ATOM 892 SG CYS A 30 -4.997 5.133 1.147 1.00 0.00 S ATOM 0 H CYS A 30 -4.802 3.246 4.044 1.00 0.00 H new ATOM 0 HA CYS A 30 -3.699 6.036 3.707 1.00 0.00 H new ATOM 0 HB2 CYS A 30 -6.493 4.915 3.027 1.00 0.00 H new ATOM 0 HB3 CYS A 30 -5.993 6.579 2.802 1.00 0.00 H new ATOM 897 N ASP A 31 -4.867 6.934 5.644 1.00 0.00 N ATOM 898 CA ASP A 31 -5.245 7.520 7.007 1.00 0.00 C ATOM 899 C ASP A 31 -6.555 8.373 6.903 1.00 0.00 C ATOM 900 O ASP A 31 -7.286 8.268 5.983 1.00 0.00 O ATOM 901 CB ASP A 31 -4.044 8.386 7.438 1.00 0.00 C ATOM 902 CG ASP A 31 -3.181 7.629 8.448 1.00 0.00 C ATOM 903 OD1 ASP A 31 -3.716 7.180 9.445 1.00 0.00 O ATOM 904 OD2 ASP A 31 -1.989 7.517 8.204 1.00 0.00 O ATOM 0 H ASP A 31 -4.466 7.633 5.019 1.00 0.00 H new ATOM 0 HA ASP A 31 -5.450 6.738 7.739 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -3.447 8.652 6.566 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -4.398 9.318 7.878 1.00 0.00 H new ATOM 909 N HIS A 32 -6.901 9.150 7.859 1.00 0.00 N ATOM 910 CA HIS A 32 -8.190 9.968 7.795 1.00 0.00 C ATOM 911 C HIS A 32 -8.479 10.832 6.474 1.00 0.00 C ATOM 912 O HIS A 32 -9.540 11.419 6.398 1.00 0.00 O ATOM 913 CB HIS A 32 -8.083 10.921 8.991 1.00 0.00 C ATOM 914 CG HIS A 32 -9.012 10.479 10.092 1.00 0.00 C ATOM 915 ND1 HIS A 32 -9.117 9.154 10.491 1.00 0.00 N ATOM 916 CD2 HIS A 32 -9.873 11.182 10.902 1.00 0.00 C ATOM 917 CE1 HIS A 32 -10.009 9.103 11.494 1.00 0.00 C ATOM 918 NE2 HIS A 32 -10.498 10.310 11.787 1.00 0.00 N ATOM 0 H HIS A 32 -6.359 9.280 8.713 1.00 0.00 H new ATOM 0 HA HIS A 32 -9.020 9.261 7.796 1.00 0.00 H new ATOM 0 HB2 HIS A 32 -7.057 10.943 9.358 1.00 0.00 H new ATOM 0 HB3 HIS A 32 -8.332 11.936 8.680 1.00 0.00 H new ATOM 0 HD2 HIS A 32 -10.038 12.248 10.858 1.00 0.00 H new ATOM 0 HE1 HIS A 32 -10.296 8.194 12.002 1.00 0.00 H new ATOM 0 HE2 HIS A 32 -11.183 10.543 12.506 1.00 0.00 H new ATOM 926 N ARG A 33 -7.563 11.063 5.516 1.00 0.00 N ATOM 927 CA ARG A 33 -7.913 12.056 4.351 1.00 0.00 C ATOM 928 C ARG A 33 -8.276 11.489 2.917 1.00 0.00 C ATOM 929 O ARG A 33 -8.482 12.247 1.991 1.00 0.00 O ATOM 930 CB ARG A 33 -6.756 13.066 4.252 1.00 0.00 C ATOM 931 CG ARG A 33 -5.849 12.997 5.489 1.00 0.00 C ATOM 932 CD ARG A 33 -6.598 13.444 6.763 1.00 0.00 C ATOM 933 NE ARG A 33 -7.537 14.536 6.358 1.00 0.00 N ATOM 934 CZ ARG A 33 -7.355 15.745 6.816 1.00 0.00 C ATOM 935 NH1 ARG A 33 -7.578 16.001 8.077 1.00 0.00 N ATOM 936 NH2 ARG A 33 -6.951 16.690 6.008 1.00 0.00 N ATOM 0 H ARG A 33 -6.635 10.642 5.474 1.00 0.00 H new ATOM 0 HA ARG A 33 -8.871 12.485 4.644 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -6.169 12.863 3.356 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -7.158 14.074 4.149 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -5.484 11.978 5.618 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -4.976 13.631 5.337 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -7.144 12.609 7.202 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -5.897 13.799 7.518 1.00 0.00 H new ATOM 0 HE ARG A 33 -8.314 14.337 5.728 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -7.893 15.258 8.700 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -7.437 16.944 8.439 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -6.779 16.481 5.024 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -6.807 17.636 6.361 1.00 0.00 H new ATOM 950 N GLY A 34 -8.461 10.225 2.777 1.00 0.00 N ATOM 951 CA GLY A 34 -8.957 9.566 1.464 1.00 0.00 C ATOM 952 C GLY A 34 -8.024 9.439 0.208 1.00 0.00 C ATOM 953 O GLY A 34 -8.437 8.827 -0.759 1.00 0.00 O ATOM 0 H GLY A 34 -8.293 9.555 3.528 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -9.284 8.558 1.719 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -9.842 10.118 1.147 1.00 0.00 H new ATOM 957 N PHE A 35 -6.802 9.867 0.200 1.00 0.00 N ATOM 958 CA PHE A 35 -5.926 9.597 -1.014 1.00 0.00 C ATOM 959 C PHE A 35 -4.956 8.422 -0.678 1.00 0.00 C ATOM 960 O PHE A 35 -5.255 7.591 0.132 1.00 0.00 O ATOM 961 CB PHE A 35 -5.161 10.904 -1.270 1.00 0.00 C ATOM 962 CG PHE A 35 -5.506 11.445 -2.639 1.00 0.00 C ATOM 963 CD1 PHE A 35 -4.852 10.949 -3.775 1.00 0.00 C ATOM 964 CD2 PHE A 35 -6.475 12.445 -2.773 1.00 0.00 C ATOM 965 CE1 PHE A 35 -5.170 11.454 -5.042 1.00 0.00 C ATOM 966 CE2 PHE A 35 -6.792 12.950 -4.037 1.00 0.00 C ATOM 967 CZ PHE A 35 -6.141 12.455 -5.173 1.00 0.00 C ATOM 0 H PHE A 35 -6.356 10.386 0.957 1.00 0.00 H new ATOM 0 HA PHE A 35 -6.494 9.309 -1.899 1.00 0.00 H new ATOM 0 HB2 PHE A 35 -5.413 11.639 -0.505 1.00 0.00 H new ATOM 0 HB3 PHE A 35 -4.088 10.727 -1.200 1.00 0.00 H new ATOM 0 HD1 PHE A 35 -4.103 10.178 -3.673 1.00 0.00 H new ATOM 0 HD2 PHE A 35 -6.979 12.828 -1.898 1.00 0.00 H new ATOM 0 HE1 PHE A 35 -4.667 11.072 -5.918 1.00 0.00 H new ATOM 0 HE2 PHE A 35 -7.540 13.723 -4.137 1.00 0.00 H new ATOM 0 HZ PHE A 35 -6.387 12.845 -6.150 1.00 0.00 H new ATOM 977 N TYR A 36 -3.793 8.332 -1.255 1.00 0.00 N ATOM 978 CA TYR A 36 -2.857 7.207 -0.856 1.00 0.00 C ATOM 979 C TYR A 36 -1.777 7.854 0.004 1.00 0.00 C ATOM 980 O TYR A 36 -0.946 8.569 -0.506 1.00 0.00 O ATOM 981 CB TYR A 36 -2.287 6.647 -2.172 1.00 0.00 C ATOM 982 CG TYR A 36 -3.413 6.435 -3.158 1.00 0.00 C ATOM 983 CD1 TYR A 36 -4.139 5.239 -3.143 1.00 0.00 C ATOM 984 CD2 TYR A 36 -3.744 7.440 -4.072 1.00 0.00 C ATOM 985 CE1 TYR A 36 -5.194 5.049 -4.043 1.00 0.00 C ATOM 986 CE2 TYR A 36 -4.800 7.253 -4.969 1.00 0.00 C ATOM 987 CZ TYR A 36 -5.526 6.058 -4.955 1.00 0.00 C ATOM 988 OH TYR A 36 -6.576 5.881 -5.833 1.00 0.00 O ATOM 0 H TYR A 36 -3.441 8.966 -1.972 1.00 0.00 H new ATOM 0 HA TYR A 36 -3.323 6.396 -0.296 1.00 0.00 H new ATOM 0 HB2 TYR A 36 -1.552 7.338 -2.586 1.00 0.00 H new ATOM 0 HB3 TYR A 36 -1.770 5.706 -1.986 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -3.885 4.462 -2.437 1.00 0.00 H new ATOM 0 HD2 TYR A 36 -3.183 8.363 -4.085 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -5.752 4.124 -4.034 1.00 0.00 H new ATOM 0 HE2 TYR A 36 -5.055 8.032 -5.673 1.00 0.00 H new ATOM 0 HH TYR A 36 -7.077 5.076 -5.585 1.00 0.00 H new ATOM 998 N ARG A 37 -1.828 7.733 1.320 1.00 0.00 N ATOM 999 CA ARG A 37 -0.820 8.502 2.098 1.00 0.00 C ATOM 1000 C ARG A 37 0.549 7.861 2.251 1.00 0.00 C ATOM 1001 O ARG A 37 1.532 8.381 1.776 1.00 0.00 O ATOM 1002 CB ARG A 37 -1.458 8.683 3.479 1.00 0.00 C ATOM 1003 CG ARG A 37 -0.458 9.372 4.413 1.00 0.00 C ATOM 1004 CD ARG A 37 -1.093 9.609 5.790 1.00 0.00 C ATOM 1005 NE ARG A 37 -0.360 10.773 6.364 1.00 0.00 N ATOM 1006 CZ ARG A 37 0.549 10.594 7.285 1.00 0.00 C ATOM 1007 NH1 ARG A 37 0.187 10.260 8.498 1.00 0.00 N ATOM 1008 NH2 ARG A 37 1.813 10.733 6.981 1.00 0.00 N ATOM 0 H ARG A 37 -2.488 7.167 1.853 1.00 0.00 H new ATOM 0 HA ARG A 37 -0.603 9.424 1.559 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -2.367 9.279 3.397 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -1.748 7.715 3.888 1.00 0.00 H new ATOM 0 HG2 ARG A 37 0.436 8.757 4.518 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -0.142 10.322 3.982 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -2.159 9.820 5.701 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -0.994 8.729 6.426 1.00 0.00 H new ATOM 0 HE ARG A 37 -0.570 11.716 6.035 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -0.801 10.141 8.721 1.00 0.00 H new ATOM 0 HH12 ARG A 37 0.893 10.119 9.220 1.00 0.00 H new ATOM 0 HH21 ARG A 37 2.084 10.980 6.029 1.00 0.00 H new ATOM 0 HH22 ARG A 37 2.528 10.595 7.696 1.00 0.00 H new ATOM 1022 N LYS A 38 0.634 6.796 2.974 1.00 0.00 N ATOM 1023 CA LYS A 38 1.978 6.195 3.205 1.00 0.00 C ATOM 1024 C LYS A 38 2.343 4.957 2.398 1.00 0.00 C ATOM 1025 O LYS A 38 3.448 4.840 1.926 1.00 0.00 O ATOM 1026 CB LYS A 38 1.995 5.858 4.684 1.00 0.00 C ATOM 1027 CG LYS A 38 3.056 6.715 5.360 1.00 0.00 C ATOM 1028 CD LYS A 38 2.400 7.660 6.368 1.00 0.00 C ATOM 1029 CE LYS A 38 2.467 7.046 7.768 1.00 0.00 C ATOM 1030 NZ LYS A 38 1.383 6.025 7.813 1.00 0.00 N ATOM 0 H LYS A 38 -0.150 6.314 3.414 1.00 0.00 H new ATOM 0 HA LYS A 38 2.723 6.918 2.873 1.00 0.00 H new ATOM 0 HB2 LYS A 38 1.017 6.046 5.127 1.00 0.00 H new ATOM 0 HB3 LYS A 38 2.213 4.800 4.829 1.00 0.00 H new ATOM 0 HG2 LYS A 38 3.782 6.078 5.865 1.00 0.00 H new ATOM 0 HG3 LYS A 38 3.602 7.290 4.612 1.00 0.00 H new ATOM 0 HD2 LYS A 38 2.906 8.625 6.359 1.00 0.00 H new ATOM 0 HD3 LYS A 38 1.362 7.842 6.089 1.00 0.00 H new ATOM 0 HE2 LYS A 38 3.441 6.591 7.950 1.00 0.00 H new ATOM 0 HE3 LYS A 38 2.321 7.806 8.536 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 1.158 5.801 8.803 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 0.535 6.398 7.342 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 1.698 5.162 7.326 1.00 0.00 H new ATOM 1044 N ARG A 39 1.488 3.976 2.347 1.00 0.00 N ATOM 1045 CA ARG A 39 1.899 2.699 1.682 1.00 0.00 C ATOM 1046 C ARG A 39 1.086 2.302 0.450 1.00 0.00 C ATOM 1047 O ARG A 39 -0.118 2.461 0.382 1.00 0.00 O ATOM 1048 CB ARG A 39 1.768 1.646 2.800 1.00 0.00 C ATOM 1049 CG ARG A 39 1.941 0.223 2.242 1.00 0.00 C ATOM 1050 CD ARG A 39 0.877 -0.706 2.846 1.00 0.00 C ATOM 1051 NE ARG A 39 1.484 -1.268 4.089 1.00 0.00 N ATOM 1052 CZ ARG A 39 0.811 -2.138 4.798 1.00 0.00 C ATOM 1053 NH1 ARG A 39 -0.323 -1.784 5.343 1.00 0.00 N ATOM 1054 NH2 ARG A 39 1.263 -3.355 4.940 1.00 0.00 N ATOM 0 H ARG A 39 0.541 3.995 2.726 1.00 0.00 H new ATOM 0 HA ARG A 39 2.904 2.800 1.272 1.00 0.00 H new ATOM 0 HB2 ARG A 39 2.518 1.832 3.569 1.00 0.00 H new ATOM 0 HB3 ARG A 39 0.792 1.737 3.277 1.00 0.00 H new ATOM 0 HG2 ARG A 39 1.852 0.235 1.156 1.00 0.00 H new ATOM 0 HG3 ARG A 39 2.938 -0.150 2.476 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -0.038 -0.158 3.071 1.00 0.00 H new ATOM 0 HD3 ARG A 39 0.610 -1.500 2.148 1.00 0.00 H new ATOM 0 HE ARG A 39 2.416 -0.976 4.383 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -0.677 -0.836 5.214 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -0.854 -2.456 5.897 1.00 0.00 H new ATOM 0 HH21 ARG A 39 2.141 -3.628 4.498 1.00 0.00 H new ATOM 0 HH22 ARG A 39 0.738 -4.033 5.493 1.00 0.00 H new ATOM 1068 N GLN A 40 1.765 1.664 -0.456 1.00 0.00 N ATOM 1069 CA GLN A 40 1.137 1.074 -1.665 1.00 0.00 C ATOM 1070 C GLN A 40 1.708 -0.342 -1.705 1.00 0.00 C ATOM 1071 O GLN A 40 2.908 -0.504 -1.593 1.00 0.00 O ATOM 1072 CB GLN A 40 1.632 1.885 -2.863 1.00 0.00 C ATOM 1073 CG GLN A 40 0.760 3.131 -3.075 1.00 0.00 C ATOM 1074 CD GLN A 40 0.272 3.196 -4.531 1.00 0.00 C ATOM 1075 OE1 GLN A 40 -0.807 3.684 -4.796 1.00 0.00 O ATOM 1076 NE2 GLN A 40 1.024 2.742 -5.493 1.00 0.00 N ATOM 0 H GLN A 40 2.774 1.522 -0.404 1.00 0.00 H new ATOM 0 HA GLN A 40 0.047 1.073 -1.670 1.00 0.00 H new ATOM 0 HB2 GLN A 40 2.668 2.183 -2.703 1.00 0.00 H new ATOM 0 HB3 GLN A 40 1.614 1.266 -3.760 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -0.094 3.105 -2.398 1.00 0.00 H new ATOM 0 HG3 GLN A 40 1.330 4.028 -2.835 1.00 0.00 H new ATOM 0 HE21 GLN A 40 1.932 2.330 -5.279 1.00 0.00 H new ATOM 0 HE22 GLN A 40 0.704 2.798 -6.460 1.00 0.00 H new ATOM 1085 N CYS A 41 0.918 -1.374 -1.774 1.00 0.00 N ATOM 1086 CA CYS A 41 1.558 -2.723 -1.722 1.00 0.00 C ATOM 1087 C CYS A 41 1.003 -3.713 -2.729 1.00 0.00 C ATOM 1088 O CYS A 41 -0.192 -3.820 -2.921 1.00 0.00 O ATOM 1089 CB CYS A 41 1.256 -3.231 -0.314 1.00 0.00 C ATOM 1090 SG CYS A 41 2.368 -2.442 0.871 1.00 0.00 S ATOM 0 H CYS A 41 -0.098 -1.353 -1.860 1.00 0.00 H new ATOM 0 HA CYS A 41 2.618 -2.635 -1.961 1.00 0.00 H new ATOM 0 HB2 CYS A 41 0.220 -3.015 -0.054 1.00 0.00 H new ATOM 0 HB3 CYS A 41 1.376 -4.314 -0.274 1.00 0.00 H new ATOM 1095 N ARG A 42 1.876 -4.502 -3.299 1.00 0.00 N ATOM 1096 CA ARG A 42 1.435 -5.578 -4.218 1.00 0.00 C ATOM 1097 C ARG A 42 1.268 -6.813 -3.342 1.00 0.00 C ATOM 1098 O ARG A 42 2.137 -7.114 -2.548 1.00 0.00 O ATOM 1099 CB ARG A 42 2.568 -5.767 -5.228 1.00 0.00 C ATOM 1100 CG ARG A 42 2.589 -4.597 -6.217 1.00 0.00 C ATOM 1101 CD ARG A 42 2.387 -5.130 -7.642 1.00 0.00 C ATOM 1102 NE ARG A 42 1.051 -4.614 -8.058 1.00 0.00 N ATOM 1103 CZ ARG A 42 0.957 -3.497 -8.740 1.00 0.00 C ATOM 1104 NH1 ARG A 42 1.685 -2.462 -8.401 1.00 0.00 N ATOM 1105 NH2 ARG A 42 0.134 -3.419 -9.752 1.00 0.00 N ATOM 0 H ARG A 42 2.885 -4.441 -3.162 1.00 0.00 H new ATOM 0 HA ARG A 42 0.508 -5.370 -4.752 1.00 0.00 H new ATOM 0 HB2 ARG A 42 3.523 -5.831 -4.707 1.00 0.00 H new ATOM 0 HB3 ARG A 42 2.434 -6.706 -5.765 1.00 0.00 H new ATOM 0 HG2 ARG A 42 1.804 -3.883 -5.969 1.00 0.00 H new ATOM 0 HG3 ARG A 42 3.537 -4.064 -6.147 1.00 0.00 H new ATOM 0 HD2 ARG A 42 3.172 -4.778 -8.311 1.00 0.00 H new ATOM 0 HD3 ARG A 42 2.414 -6.219 -7.664 1.00 0.00 H new ATOM 0 HE ARG A 42 0.207 -5.131 -7.811 1.00 0.00 H new ATOM 0 HH11 ARG A 42 2.324 -2.525 -7.608 1.00 0.00 H new ATOM 0 HH12 ARG A 42 1.613 -1.593 -8.930 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -0.434 -4.226 -10.011 1.00 0.00 H new ATOM 0 HH22 ARG A 42 0.060 -2.551 -10.283 1.00 0.00 H new ATOM 1119 N SER A 43 0.158 -7.481 -3.422 1.00 0.00 N ATOM 1120 CA SER A 43 -0.066 -8.656 -2.521 1.00 0.00 C ATOM 1121 C SER A 43 -0.008 -9.997 -3.261 1.00 0.00 C ATOM 1122 O SER A 43 -0.649 -10.193 -4.286 1.00 0.00 O ATOM 1123 CB SER A 43 -1.459 -8.440 -1.927 1.00 0.00 C ATOM 1124 OG SER A 43 -1.518 -7.166 -1.286 1.00 0.00 O ATOM 0 H SER A 43 -0.605 -7.272 -4.066 1.00 0.00 H new ATOM 0 HA SER A 43 0.718 -8.711 -1.766 1.00 0.00 H new ATOM 0 HB2 SER A 43 -2.212 -8.498 -2.713 1.00 0.00 H new ATOM 0 HB3 SER A 43 -1.685 -9.229 -1.210 1.00 0.00 H new ATOM 0 HG SER A 43 -2.412 -7.031 -0.908 1.00 0.00 H new ATOM 1251 N CYS A 52 5.887 -4.528 -0.560 1.00 0.00 N ATOM 1252 CA CYS A 52 5.275 -3.311 0.050 1.00 0.00 C ATOM 1253 C CYS A 52 6.237 -2.130 -0.078 1.00 0.00 C ATOM 1254 O CYS A 52 7.444 -2.297 -0.033 1.00 0.00 O ATOM 1255 CB CYS A 52 5.047 -3.650 1.522 1.00 0.00 C ATOM 1256 SG CYS A 52 3.290 -3.983 1.790 1.00 0.00 S ATOM 0 HA CYS A 52 4.343 -3.034 -0.443 1.00 0.00 H new ATOM 0 HB2 CYS A 52 5.641 -4.519 1.804 1.00 0.00 H new ATOM 0 HB3 CYS A 52 5.373 -2.823 2.153 1.00 0.00 H new ATOM 1261 N TRP A 53 5.726 -0.941 -0.200 1.00 0.00 N ATOM 1262 CA TRP A 53 6.627 0.251 -0.290 1.00 0.00 C ATOM 1263 C TRP A 53 5.885 1.525 0.133 1.00 0.00 C ATOM 1264 O TRP A 53 4.679 1.635 -0.013 1.00 0.00 O ATOM 1265 CB TRP A 53 7.116 0.327 -1.752 1.00 0.00 C ATOM 1266 CG TRP A 53 6.006 0.688 -2.690 1.00 0.00 C ATOM 1267 CD1 TRP A 53 5.661 1.948 -3.030 1.00 0.00 C ATOM 1268 CD2 TRP A 53 5.113 -0.196 -3.428 1.00 0.00 C ATOM 1269 NE1 TRP A 53 4.608 1.896 -3.927 1.00 0.00 N ATOM 1270 CE2 TRP A 53 4.232 0.595 -4.200 1.00 0.00 C ATOM 1271 CE3 TRP A 53 4.974 -1.590 -3.494 1.00 0.00 C ATOM 1272 CZ2 TRP A 53 3.258 0.021 -5.017 1.00 0.00 C ATOM 1273 CZ3 TRP A 53 3.996 -2.171 -4.312 1.00 0.00 C ATOM 1274 CH2 TRP A 53 3.135 -1.366 -5.069 1.00 0.00 C ATOM 0 H TRP A 53 4.728 -0.737 -0.242 1.00 0.00 H new ATOM 0 HA TRP A 53 7.477 0.159 0.386 1.00 0.00 H new ATOM 0 HB2 TRP A 53 7.914 1.066 -1.831 1.00 0.00 H new ATOM 0 HB3 TRP A 53 7.541 -0.633 -2.044 1.00 0.00 H new ATOM 0 HD1 TRP A 53 6.130 2.849 -2.662 1.00 0.00 H new ATOM 0 HE1 TRP A 53 4.164 2.718 -4.336 1.00 0.00 H new ATOM 0 HE3 TRP A 53 5.627 -2.221 -2.909 1.00 0.00 H new ATOM 0 HZ2 TRP A 53 2.604 0.647 -5.605 1.00 0.00 H new ATOM 0 HZ3 TRP A 53 3.905 -3.246 -4.359 1.00 0.00 H new ATOM 0 HH2 TRP A 53 2.378 -1.819 -5.691 1.00 0.00 H new ATOM 1285 N CYS A 54 6.604 2.480 0.663 1.00 0.00 N ATOM 1286 CA CYS A 54 5.968 3.752 1.109 1.00 0.00 C ATOM 1287 C CYS A 54 5.711 4.640 -0.111 1.00 0.00 C ATOM 1288 O CYS A 54 6.361 4.503 -1.135 1.00 0.00 O ATOM 1289 CB CYS A 54 6.966 4.394 2.075 1.00 0.00 C ATOM 1290 SG CYS A 54 6.173 4.644 3.687 1.00 0.00 S ATOM 0 H CYS A 54 7.613 2.431 0.806 1.00 0.00 H new ATOM 0 HA CYS A 54 5.007 3.598 1.599 1.00 0.00 H new ATOM 0 HB2 CYS A 54 7.844 3.757 2.185 1.00 0.00 H new ATOM 0 HB3 CYS A 54 7.312 5.348 1.676 1.00 0.00 H new ATOM 0 HG CYS A 54 4.893 4.798 3.522 1.00 0.00 H new ATOM 1295 N VAL A 55 4.746 5.514 -0.026 1.00 0.00 N ATOM 1296 CA VAL A 55 4.399 6.372 -1.202 1.00 0.00 C ATOM 1297 C VAL A 55 3.910 7.750 -0.775 1.00 0.00 C ATOM 1298 O VAL A 55 3.644 7.989 0.384 1.00 0.00 O ATOM 1299 CB VAL A 55 3.263 5.637 -1.910 1.00 0.00 C ATOM 1300 CG1 VAL A 55 3.777 4.320 -2.476 1.00 0.00 C ATOM 1301 CG2 VAL A 55 2.127 5.343 -0.922 1.00 0.00 C ATOM 0 H VAL A 55 4.180 5.674 0.807 1.00 0.00 H new ATOM 0 HA VAL A 55 5.273 6.529 -1.834 1.00 0.00 H new ATOM 0 HB VAL A 55 2.889 6.267 -2.717 1.00 0.00 H new ATOM 0 HG11 VAL A 55 2.963 3.799 -2.980 1.00 0.00 H new ATOM 0 HG12 VAL A 55 4.578 4.518 -3.188 1.00 0.00 H new ATOM 0 HG13 VAL A 55 4.158 3.699 -1.665 1.00 0.00 H new ATOM 0 HG21 VAL A 55 1.323 4.819 -1.438 1.00 0.00 H new ATOM 0 HG22 VAL A 55 2.503 4.721 -0.110 1.00 0.00 H new ATOM 0 HG23 VAL A 55 1.747 6.280 -0.515 1.00 0.00 H new ATOM 1311 N ASP A 56 3.767 8.647 -1.719 1.00 0.00 N ATOM 1312 CA ASP A 56 3.255 10.003 -1.403 1.00 0.00 C ATOM 1313 C ASP A 56 1.739 10.022 -1.639 1.00 0.00 C ATOM 1314 O ASP A 56 1.156 9.021 -2.002 1.00 0.00 O ATOM 1315 CB ASP A 56 3.986 10.979 -2.340 1.00 0.00 C ATOM 1316 CG ASP A 56 3.877 10.529 -3.798 1.00 0.00 C ATOM 1317 OD1 ASP A 56 2.772 10.489 -4.318 1.00 0.00 O ATOM 1318 OD2 ASP A 56 4.906 10.252 -4.384 1.00 0.00 O ATOM 0 H ASP A 56 3.987 8.490 -2.703 1.00 0.00 H new ATOM 0 HA ASP A 56 3.433 10.287 -0.366 1.00 0.00 H new ATOM 0 HB2 ASP A 56 3.563 11.978 -2.232 1.00 0.00 H new ATOM 0 HB3 ASP A 56 5.036 11.045 -2.054 1.00 0.00 H new ATOM 1323 N ARG A 57 1.104 11.136 -1.403 1.00 0.00 N ATOM 1324 CA ARG A 57 -0.398 11.226 -1.562 1.00 0.00 C ATOM 1325 C ARG A 57 -0.931 10.570 -2.848 1.00 0.00 C ATOM 1326 O ARG A 57 -2.079 10.163 -2.897 1.00 0.00 O ATOM 1327 CB ARG A 57 -0.797 12.718 -1.545 1.00 0.00 C ATOM 1328 CG ARG A 57 0.274 13.637 -2.162 1.00 0.00 C ATOM 1329 CD ARG A 57 0.312 13.468 -3.680 1.00 0.00 C ATOM 1330 NE ARG A 57 1.760 13.472 -4.046 1.00 0.00 N ATOM 1331 CZ ARG A 57 2.114 13.602 -5.298 1.00 0.00 C ATOM 1332 NH1 ARG A 57 1.945 14.746 -5.909 1.00 0.00 N ATOM 1333 NH2 ARG A 57 2.618 12.584 -5.942 1.00 0.00 N ATOM 0 H ARG A 57 1.554 12.001 -1.104 1.00 0.00 H new ATOM 0 HA ARG A 57 -0.844 10.674 -0.735 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -1.733 12.844 -2.090 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -0.983 13.026 -0.516 1.00 0.00 H new ATOM 0 HG2 ARG A 57 0.059 14.676 -1.911 1.00 0.00 H new ATOM 0 HG3 ARG A 57 1.251 13.402 -1.739 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -0.167 12.537 -3.983 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -0.221 14.278 -4.178 1.00 0.00 H new ATOM 0 HE ARG A 57 2.471 13.374 -3.321 1.00 0.00 H new ATOM 0 HH11 ARG A 57 1.537 15.536 -5.409 1.00 0.00 H new ATOM 0 HH12 ARG A 57 2.221 14.848 -6.886 1.00 0.00 H new ATOM 0 HH21 ARG A 57 2.735 11.688 -5.468 1.00 0.00 H new ATOM 0 HH22 ARG A 57 2.894 12.685 -6.919 1.00 0.00 H new ATOM 1347 N MET A 58 -0.155 10.470 -3.891 1.00 0.00 N ATOM 1348 CA MET A 58 -0.684 9.849 -5.132 1.00 0.00 C ATOM 1349 C MET A 58 -0.427 8.337 -5.110 1.00 0.00 C ATOM 1350 O MET A 58 -1.043 7.587 -5.842 1.00 0.00 O ATOM 1351 CB MET A 58 0.087 10.568 -6.247 1.00 0.00 C ATOM 1352 CG MET A 58 0.339 9.648 -7.437 1.00 0.00 C ATOM 1353 SD MET A 58 -0.813 10.054 -8.770 1.00 0.00 S ATOM 1354 CE MET A 58 -2.306 9.378 -7.999 1.00 0.00 C ATOM 0 H MET A 58 0.813 10.789 -3.936 1.00 0.00 H new ATOM 0 HA MET A 58 -1.761 9.953 -5.261 1.00 0.00 H new ATOM 0 HB2 MET A 58 -0.476 11.442 -6.575 1.00 0.00 H new ATOM 0 HB3 MET A 58 1.039 10.930 -5.858 1.00 0.00 H new ATOM 0 HG2 MET A 58 1.366 9.758 -7.784 1.00 0.00 H new ATOM 0 HG3 MET A 58 0.214 8.607 -7.138 1.00 0.00 H new ATOM 0 HE1 MET A 58 -3.130 9.411 -8.711 1.00 0.00 H new ATOM 0 HE2 MET A 58 -2.126 8.345 -7.700 1.00 0.00 H new ATOM 0 HE3 MET A 58 -2.562 9.970 -7.120 1.00 0.00 H new ATOM 1364 N GLY A 59 0.464 7.882 -4.275 1.00 0.00 N ATOM 1365 CA GLY A 59 0.747 6.423 -4.214 1.00 0.00 C ATOM 1366 C GLY A 59 2.071 6.115 -4.921 1.00 0.00 C ATOM 1367 O GLY A 59 2.439 4.969 -5.072 1.00 0.00 O ATOM 0 H GLY A 59 1.008 8.458 -3.632 1.00 0.00 H new ATOM 0 HA2 GLY A 59 0.796 6.097 -3.175 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -0.064 5.867 -4.685 1.00 0.00 H new ATOM 1371 N LYS A 60 2.804 7.118 -5.341 1.00 0.00 N ATOM 1372 CA LYS A 60 4.100 6.848 -6.009 1.00 0.00 C ATOM 1373 C LYS A 60 5.118 6.404 -4.956 1.00 0.00 C ATOM 1374 O LYS A 60 5.145 6.912 -3.852 1.00 0.00 O ATOM 1375 CB LYS A 60 4.492 8.177 -6.657 1.00 0.00 C ATOM 1376 CG LYS A 60 6.007 8.323 -6.667 1.00 0.00 C ATOM 1377 CD LYS A 60 6.363 9.588 -7.433 1.00 0.00 C ATOM 1378 CE LYS A 60 7.612 10.242 -6.824 1.00 0.00 C ATOM 1379 NZ LYS A 60 7.255 10.566 -5.409 1.00 0.00 N ATOM 0 H LYS A 60 2.557 8.103 -5.248 1.00 0.00 H new ATOM 0 HA LYS A 60 4.051 6.054 -6.755 1.00 0.00 H new ATOM 0 HB2 LYS A 60 4.107 8.222 -7.676 1.00 0.00 H new ATOM 0 HB3 LYS A 60 4.042 9.005 -6.109 1.00 0.00 H new ATOM 0 HG2 LYS A 60 6.389 8.377 -5.648 1.00 0.00 H new ATOM 0 HG3 LYS A 60 6.469 7.454 -7.135 1.00 0.00 H new ATOM 0 HD2 LYS A 60 6.543 9.349 -8.481 1.00 0.00 H new ATOM 0 HD3 LYS A 60 5.527 10.287 -7.405 1.00 0.00 H new ATOM 0 HE2 LYS A 60 8.467 9.567 -6.867 1.00 0.00 H new ATOM 0 HE3 LYS A 60 7.889 11.142 -7.373 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 7.706 11.461 -5.133 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 6.223 10.658 -5.324 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 7.587 9.804 -4.784 1.00 0.00 H new ATOM 1393 N SER A 61 5.943 5.458 -5.290 1.00 0.00 N ATOM 1394 CA SER A 61 6.955 4.951 -4.319 1.00 0.00 C ATOM 1395 C SER A 61 7.906 6.072 -3.892 1.00 0.00 C ATOM 1396 O SER A 61 8.636 6.622 -4.693 1.00 0.00 O ATOM 1397 CB SER A 61 7.711 3.852 -5.069 1.00 0.00 C ATOM 1398 OG SER A 61 6.782 3.044 -5.795 1.00 0.00 O ATOM 0 H SER A 61 5.963 5.006 -6.204 1.00 0.00 H new ATOM 0 HA SER A 61 6.493 4.576 -3.406 1.00 0.00 H new ATOM 0 HB2 SER A 61 8.435 4.296 -5.752 1.00 0.00 H new ATOM 0 HB3 SER A 61 8.272 3.237 -4.366 1.00 0.00 H new ATOM 0 HG SER A 61 6.171 2.604 -5.168 1.00 0.00 H new ATOM 1404 N LEU A 62 7.909 6.405 -2.632 1.00 0.00 N ATOM 1405 CA LEU A 62 8.826 7.481 -2.141 1.00 0.00 C ATOM 1406 C LEU A 62 10.207 6.881 -1.842 1.00 0.00 C ATOM 1407 O LEU A 62 10.325 5.693 -1.616 1.00 0.00 O ATOM 1408 CB LEU A 62 8.184 8.023 -0.855 1.00 0.00 C ATOM 1409 CG LEU A 62 7.120 9.076 -1.200 1.00 0.00 C ATOM 1410 CD1 LEU A 62 6.459 9.578 0.087 1.00 0.00 C ATOM 1411 CD2 LEU A 62 7.764 10.266 -1.923 1.00 0.00 C ATOM 0 H LEU A 62 7.317 5.981 -1.918 1.00 0.00 H new ATOM 0 HA LEU A 62 8.963 8.273 -2.877 1.00 0.00 H new ATOM 0 HB2 LEU A 62 7.730 7.206 -0.294 1.00 0.00 H new ATOM 0 HB3 LEU A 62 8.949 8.463 -0.215 1.00 0.00 H new ATOM 0 HG LEU A 62 6.374 8.618 -1.850 1.00 0.00 H new ATOM 0 HD11 LEU A 62 5.704 10.325 -0.159 1.00 0.00 H new ATOM 0 HD12 LEU A 62 5.987 8.742 0.604 1.00 0.00 H new ATOM 0 HD13 LEU A 62 7.214 10.025 0.734 1.00 0.00 H new ATOM 0 HD21 LEU A 62 6.999 11.004 -2.161 1.00 0.00 H new ATOM 0 HD22 LEU A 62 8.517 10.719 -1.278 1.00 0.00 H new ATOM 0 HD23 LEU A 62 8.235 9.921 -2.844 1.00 0.00 H new