USER MOD reduce.3.24.130724 H: found=0, std=0, add=122, rem=0, adj=1 USER MOD reduce.3.24.130724 removed 120 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 Single : A 27 GLN : amide:sc= -0.839 K(o=-0.84,f=-4.5!) USER MOD Single : A 29 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 30 HIS : no HD1:sc= -0.0858 X(o=-0.086,f=-0.24) USER MOD Single : A 33 GLN : amide:sc= -1.23 K(o=-1.2,f=-0.19) USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 411 N ALA A 22 -1.844 -4.721 -7.065 1.00 0.00 N ATOM 412 CA ALA A 22 -2.357 -6.079 -7.142 1.00 0.00 C ATOM 413 C ALA A 22 -3.435 -6.274 -6.074 1.00 0.00 C ATOM 414 O ALA A 22 -4.262 -7.177 -6.179 1.00 0.00 O ATOM 415 CB ALA A 22 -1.201 -7.069 -6.991 1.00 0.00 C ATOM 0 HA ALA A 22 -2.819 -6.261 -8.113 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -1.584 -8.088 -7.049 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -0.477 -6.908 -7.790 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -0.716 -6.918 -6.027 1.00 0.00 H new ATOM 421 N ARG A 23 -3.390 -5.411 -5.069 1.00 0.00 N ATOM 422 CA ARG A 23 -4.353 -5.476 -3.982 1.00 0.00 C ATOM 423 C ARG A 23 -5.564 -4.595 -4.292 1.00 0.00 C ATOM 424 O ARG A 23 -5.910 -3.712 -3.510 1.00 0.00 O ATOM 425 CB ARG A 23 -3.726 -5.024 -2.663 1.00 0.00 C ATOM 426 CG ARG A 23 -3.153 -6.214 -1.891 1.00 0.00 C ATOM 427 CD ARG A 23 -1.967 -5.786 -1.024 1.00 0.00 C ATOM 428 NE ARG A 23 -0.784 -6.619 -1.336 1.00 0.00 N ATOM 429 CZ ARG A 23 -0.653 -7.912 -0.971 1.00 0.00 C ATOM 430 NH1 ARG A 23 -1.632 -8.532 -0.279 1.00 0.00 N ATOM 431 NH2 ARG A 23 0.448 -8.562 -1.304 1.00 0.00 N ATOM 0 H ARG A 23 -2.702 -4.663 -4.985 1.00 0.00 H new ATOM 0 HA ARG A 23 -4.671 -6.514 -3.883 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -2.935 -4.300 -2.861 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -4.476 -4.518 -2.054 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -3.928 -6.651 -1.262 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -2.836 -6.987 -2.591 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -1.738 -4.735 -1.200 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -2.223 -5.884 0.031 1.00 0.00 H new ATOM 0 HE ARG A 23 -0.021 -6.190 -1.859 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -2.480 -8.023 -0.028 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -1.524 -9.509 -0.007 1.00 0.00 H new ATOM 0 HH21 ARG A 23 1.182 -8.086 -1.829 1.00 0.00 H new ATOM 0 HH22 ARG A 23 0.564 -9.539 -1.036 1.00 0.00 H new ATOM 444 N ASP A 24 -6.175 -4.866 -5.437 1.00 0.00 N ATOM 445 CA ASP A 24 -7.341 -4.108 -5.860 1.00 0.00 C ATOM 446 C ASP A 24 -8.357 -5.057 -6.496 1.00 0.00 C ATOM 447 O ASP A 24 -9.352 -5.420 -5.868 1.00 0.00 O ATOM 448 CB ASP A 24 -6.963 -3.053 -6.902 1.00 0.00 C ATOM 449 CG ASP A 24 -7.062 -1.604 -6.419 1.00 0.00 C ATOM 450 OD1 ASP A 24 -7.982 -1.240 -5.673 1.00 0.00 O ATOM 451 OD2 ASP A 24 -6.129 -0.822 -6.848 1.00 0.00 O ATOM 0 H ASP A 24 -5.885 -5.599 -6.084 1.00 0.00 H new ATOM 0 HA ASP A 24 -7.760 -3.615 -4.983 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -5.942 -3.241 -7.234 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -7.608 -3.175 -7.772 1.00 0.00 H new ATOM 457 N ILE A 25 -8.074 -5.434 -7.734 1.00 0.00 N ATOM 458 CA ILE A 25 -8.951 -6.335 -8.463 1.00 0.00 C ATOM 459 C ILE A 25 -8.353 -6.618 -9.842 1.00 0.00 C ATOM 460 O ILE A 25 -9.081 -6.728 -10.828 1.00 0.00 O ATOM 461 CB ILE A 25 -10.374 -5.773 -8.512 1.00 0.00 C ATOM 462 CG1 ILE A 25 -10.358 -4.244 -8.560 1.00 0.00 C ATOM 463 CG2 ILE A 25 -11.213 -6.303 -7.347 1.00 0.00 C ATOM 464 CD1 ILE A 25 -9.696 -3.742 -9.844 1.00 0.00 C ATOM 0 H ILE A 25 -7.249 -5.132 -8.252 1.00 0.00 H new ATOM 0 HA ILE A 25 -9.028 -7.292 -7.947 1.00 0.00 H new ATOM 0 HB ILE A 25 -10.847 -6.118 -9.431 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -11.378 -3.864 -8.500 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -9.822 -3.855 -7.694 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -12.219 -5.888 -7.405 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -11.265 -7.390 -7.401 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -10.753 -6.008 -6.404 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -9.698 -2.652 -9.852 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -8.669 -4.103 -9.889 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -10.249 -4.112 -10.707 1.00 0.00 H new ATOM 476 N ILE A 26 -7.033 -6.727 -9.868 1.00 0.00 N ATOM 477 CA ILE A 26 -6.329 -6.996 -11.111 1.00 0.00 C ATOM 478 C ILE A 26 -5.397 -8.192 -10.916 1.00 0.00 C ATOM 479 O ILE A 26 -5.269 -9.036 -11.800 1.00 0.00 O ATOM 480 CB ILE A 26 -5.618 -5.735 -11.607 1.00 0.00 C ATOM 481 CG1 ILE A 26 -5.267 -4.810 -10.440 1.00 0.00 C ATOM 482 CG2 ILE A 26 -6.447 -5.022 -12.675 1.00 0.00 C ATOM 483 CD1 ILE A 26 -6.421 -3.852 -10.134 1.00 0.00 C ATOM 0 H ILE A 26 -6.432 -6.634 -9.049 1.00 0.00 H new ATOM 0 HA ILE A 26 -7.034 -7.267 -11.897 1.00 0.00 H new ATOM 0 HB ILE A 26 -4.680 -6.033 -12.075 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -5.039 -5.405 -9.556 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -4.370 -4.240 -10.680 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -5.919 -4.129 -13.010 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -6.602 -5.691 -13.522 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -7.412 -4.737 -12.256 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -6.146 -3.206 -9.301 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -6.630 -3.242 -11.013 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -7.310 -4.425 -9.870 1.00 0.00 H new ATOM 495 N GLN A 27 -4.767 -8.227 -9.750 1.00 0.00 N ATOM 496 CA GLN A 27 -3.849 -9.306 -9.427 1.00 0.00 C ATOM 497 C GLN A 27 -4.447 -10.653 -9.838 1.00 0.00 C ATOM 498 O GLN A 27 -3.728 -11.642 -9.971 1.00 0.00 O ATOM 499 CB GLN A 27 -3.493 -9.296 -7.938 1.00 0.00 C ATOM 500 CG GLN A 27 -2.441 -10.360 -7.620 1.00 0.00 C ATOM 501 CD GLN A 27 -3.038 -11.484 -6.769 1.00 0.00 C ATOM 502 OE1 GLN A 27 -3.996 -12.139 -7.143 1.00 0.00 O ATOM 503 NE2 GLN A 27 -2.419 -11.668 -5.606 1.00 0.00 N ATOM 0 H GLN A 27 -4.875 -7.525 -9.018 1.00 0.00 H new ATOM 0 HA GLN A 27 -2.928 -9.153 -9.989 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -3.117 -8.312 -7.657 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -4.389 -9.477 -7.345 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -2.044 -10.773 -8.547 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -1.605 -9.903 -7.091 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -1.622 -11.084 -5.355 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -2.742 -12.394 -4.966 1.00 0.00 H new ATOM 512 N ARG A 28 -5.759 -10.649 -10.028 1.00 0.00 N ATOM 513 CA ARG A 28 -6.461 -11.858 -10.421 1.00 0.00 C ATOM 514 C ARG A 28 -7.206 -11.634 -11.739 1.00 0.00 C ATOM 515 O ARG A 28 -7.942 -12.508 -12.197 1.00 0.00 O ATOM 516 CB ARG A 28 -7.461 -12.289 -9.345 1.00 0.00 C ATOM 517 CG ARG A 28 -6.767 -12.475 -7.995 1.00 0.00 C ATOM 518 CD ARG A 28 -7.695 -13.164 -6.992 1.00 0.00 C ATOM 519 NE ARG A 28 -7.427 -12.661 -5.626 1.00 0.00 N ATOM 520 CZ ARG A 28 -8.320 -12.704 -4.615 1.00 0.00 C ATOM 521 NH1 ARG A 28 -9.549 -13.228 -4.808 1.00 0.00 N ATOM 522 NH2 ARG A 28 -7.974 -12.226 -3.434 1.00 0.00 N ATOM 0 H ARG A 28 -6.353 -9.827 -9.917 1.00 0.00 H new ATOM 0 HA ARG A 28 -5.719 -12.646 -10.548 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -8.248 -11.540 -9.253 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -7.942 -13.221 -9.642 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -5.862 -13.069 -8.126 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -6.458 -11.505 -7.604 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -8.735 -12.978 -7.259 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -7.545 -14.243 -7.027 1.00 0.00 H new ATOM 0 HE ARG A 28 -6.510 -12.257 -5.437 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -9.809 -13.595 -5.723 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -10.218 -13.257 -4.038 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -7.043 -11.832 -3.296 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -8.637 -12.251 -2.659 1.00 0.00 H new ATOM 535 N MET A 29 -6.989 -10.460 -12.312 1.00 0.00 N ATOM 536 CA MET A 29 -7.629 -10.111 -13.569 1.00 0.00 C ATOM 537 C MET A 29 -9.052 -10.670 -13.634 1.00 0.00 C ATOM 538 O MET A 29 -9.536 -11.021 -14.708 1.00 0.00 O ATOM 539 CB MET A 29 -6.807 -10.668 -14.733 1.00 0.00 C ATOM 540 CG MET A 29 -6.427 -12.129 -14.486 1.00 0.00 C ATOM 541 SD MET A 29 -5.555 -12.780 -15.901 1.00 0.00 S ATOM 542 CE MET A 29 -5.980 -14.509 -15.757 1.00 0.00 C ATOM 0 H MET A 29 -6.379 -9.738 -11.929 1.00 0.00 H new ATOM 0 HA MET A 29 -7.683 -9.025 -13.638 1.00 0.00 H new ATOM 0 HB2 MET A 29 -7.379 -10.589 -15.658 1.00 0.00 H new ATOM 0 HB3 MET A 29 -5.905 -10.071 -14.864 1.00 0.00 H new ATOM 0 HG2 MET A 29 -5.802 -12.205 -13.596 1.00 0.00 H new ATOM 0 HG3 MET A 29 -7.323 -12.720 -14.297 1.00 0.00 H new ATOM 0 HE1 MET A 29 -5.514 -15.067 -16.569 1.00 0.00 H new ATOM 0 HE2 MET A 29 -5.623 -14.893 -14.801 1.00 0.00 H new ATOM 0 HE3 MET A 29 -7.063 -14.623 -15.813 1.00 0.00 H new ATOM 552 N HIS A 30 -9.680 -10.736 -12.469 1.00 0.00 N ATOM 553 CA HIS A 30 -11.038 -11.247 -12.379 1.00 0.00 C ATOM 554 C HIS A 30 -11.046 -12.743 -12.705 1.00 0.00 C ATOM 555 O HIS A 30 -11.771 -13.184 -13.594 1.00 0.00 O ATOM 556 CB HIS A 30 -11.982 -10.441 -13.273 1.00 0.00 C ATOM 557 CG HIS A 30 -13.445 -10.627 -12.947 1.00 0.00 C ATOM 558 ND1 HIS A 30 -13.918 -10.711 -11.650 1.00 0.00 N ATOM 559 CD2 HIS A 30 -14.531 -10.745 -13.763 1.00 0.00 C ATOM 560 CE1 HIS A 30 -15.233 -10.871 -11.694 1.00 0.00 C ATOM 561 NE2 HIS A 30 -15.611 -10.894 -13.004 1.00 0.00 N ATOM 0 H HIS A 30 -9.274 -10.444 -11.580 1.00 0.00 H new ATOM 0 HA HIS A 30 -11.408 -11.130 -11.360 1.00 0.00 H new ATOM 0 HB2 HIS A 30 -11.733 -9.383 -13.187 1.00 0.00 H new ATOM 0 HB3 HIS A 30 -11.813 -10.725 -14.312 1.00 0.00 H new ATOM 0 HD2 HIS A 30 -14.516 -10.721 -14.843 1.00 0.00 H new ATOM 0 HE1 HIS A 30 -15.890 -10.966 -10.842 1.00 0.00 H new ATOM 0 HE2 HIS A 30 -16.566 -11.007 -13.345 1.00 0.00 H new ATOM 569 N LEU A 31 -10.230 -13.481 -11.965 1.00 0.00 N ATOM 570 CA LEU A 31 -10.134 -14.917 -12.165 1.00 0.00 C ATOM 571 C LEU A 31 -11.516 -15.546 -11.983 1.00 0.00 C ATOM 572 O LEU A 31 -12.533 -14.859 -12.075 1.00 0.00 O ATOM 573 CB LEU A 31 -9.062 -15.514 -11.251 1.00 0.00 C ATOM 574 CG LEU A 31 -9.544 -16.016 -9.889 1.00 0.00 C ATOM 575 CD1 LEU A 31 -9.316 -17.522 -9.748 1.00 0.00 C ATOM 576 CD2 LEU A 31 -8.892 -15.228 -8.751 1.00 0.00 C ATOM 0 H LEU A 31 -9.630 -13.111 -11.227 1.00 0.00 H new ATOM 0 HA LEU A 31 -9.813 -15.140 -13.183 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -8.588 -16.344 -11.775 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -8.292 -14.760 -11.086 1.00 0.00 H new ATOM 0 HG LEU A 31 -10.619 -15.845 -9.823 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -9.667 -17.853 -8.771 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -9.866 -18.048 -10.529 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -8.252 -17.739 -9.844 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -9.252 -15.605 -7.794 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -7.809 -15.343 -8.802 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -9.149 -14.173 -8.845 1.00 0.00 H new ATOM 588 N ARG A 32 -11.511 -16.846 -11.725 1.00 0.00 N ATOM 589 CA ARG A 32 -12.752 -17.575 -11.529 1.00 0.00 C ATOM 590 C ARG A 32 -13.596 -16.905 -10.444 1.00 0.00 C ATOM 591 O ARG A 32 -14.745 -16.538 -10.684 1.00 0.00 O ATOM 592 CB ARG A 32 -12.479 -19.027 -11.129 1.00 0.00 C ATOM 593 CG ARG A 32 -13.773 -19.846 -11.125 1.00 0.00 C ATOM 594 CD ARG A 32 -14.214 -20.180 -12.552 1.00 0.00 C ATOM 595 NE ARG A 32 -14.884 -19.010 -13.161 1.00 0.00 N ATOM 596 CZ ARG A 32 -16.161 -18.650 -12.906 1.00 0.00 C ATOM 597 NH1 ARG A 32 -16.916 -19.369 -12.048 1.00 0.00 N ATOM 598 NH2 ARG A 32 -16.658 -17.586 -13.506 1.00 0.00 N ATOM 0 H ARG A 32 -10.667 -17.413 -11.647 1.00 0.00 H new ATOM 0 HA ARG A 32 -13.295 -17.565 -12.474 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -11.765 -19.471 -11.823 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -12.023 -19.056 -10.140 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -13.623 -20.767 -10.562 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -14.560 -19.287 -10.619 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -13.350 -20.467 -13.151 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -14.892 -21.033 -12.542 1.00 0.00 H new ATOM 0 HE ARG A 32 -14.348 -18.439 -13.815 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -16.523 -20.190 -11.588 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -17.879 -19.091 -11.860 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -16.080 -17.048 -14.152 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -17.620 -17.301 -13.324 1.00 0.00 H new ATOM 611 N GLN A 33 -12.994 -16.765 -9.272 1.00 0.00 N ATOM 612 CA GLN A 33 -13.676 -16.144 -8.149 1.00 0.00 C ATOM 613 C GLN A 33 -14.927 -16.944 -7.781 1.00 0.00 C ATOM 614 O GLN A 33 -16.037 -16.414 -7.809 1.00 0.00 O ATOM 615 CB GLN A 33 -14.027 -14.688 -8.458 1.00 0.00 C ATOM 616 CG GLN A 33 -13.589 -13.764 -7.319 1.00 0.00 C ATOM 617 CD GLN A 33 -12.451 -12.844 -7.767 1.00 0.00 C ATOM 618 OE1 GLN A 33 -12.391 -11.675 -7.422 1.00 0.00 O ATOM 619 NE2 GLN A 33 -11.554 -13.435 -8.550 1.00 0.00 N ATOM 0 H GLN A 33 -12.041 -17.071 -9.076 1.00 0.00 H new ATOM 0 HA GLN A 33 -13.002 -16.146 -7.292 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -13.543 -14.382 -9.385 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -15.102 -14.595 -8.614 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -14.436 -13.165 -6.986 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -13.265 -14.360 -6.466 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -11.664 -14.418 -8.801 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -10.755 -12.906 -8.900 1.00 0.00 H new ATOM 628 N TYR A 34 -14.706 -18.206 -7.445 1.00 0.00 N ATOM 629 CA TYR A 34 -15.802 -19.084 -7.071 1.00 0.00 C ATOM 630 C TYR A 34 -16.152 -18.926 -5.590 1.00 0.00 C ATOM 631 O TYR A 34 -16.349 -19.914 -4.886 1.00 0.00 O ATOM 632 CB TYR A 34 -15.303 -20.510 -7.316 1.00 0.00 C ATOM 633 CG TYR A 34 -14.437 -21.068 -6.184 1.00 0.00 C ATOM 634 CD1 TYR A 34 -13.718 -20.209 -5.378 1.00 0.00 C ATOM 635 CD2 TYR A 34 -14.376 -22.430 -5.970 1.00 0.00 C ATOM 636 CE1 TYR A 34 -12.902 -20.734 -4.314 1.00 0.00 C ATOM 637 CE2 TYR A 34 -13.561 -22.955 -4.905 1.00 0.00 C ATOM 638 CZ TYR A 34 -12.865 -22.082 -4.130 1.00 0.00 C ATOM 639 OH TYR A 34 -12.095 -22.577 -3.124 1.00 0.00 O ATOM 0 H TYR A 34 -13.784 -18.642 -7.424 1.00 0.00 H new ATOM 0 HA TYR A 34 -16.696 -18.849 -7.649 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -16.162 -21.165 -7.460 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -14.729 -20.529 -8.242 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -13.767 -19.143 -5.545 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -14.939 -23.102 -6.601 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -12.333 -20.073 -3.677 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -13.504 -24.019 -4.726 1.00 0.00 H new ATOM 0 HH TYR A 34 -12.165 -23.554 -3.109 1.00 0.00 H new