============================================================================= Reading config file: /home/ubuntu/rna-tools/rna_tools/tools/webserver-engine/media/jobs/234f02c2/tmp/C8MA1_refx/configfile.txt ============================================================================= ----------------------------------------------------------------------------- Warning: Non-parallel version of QRNA cannot spawn threads. Warning: More threads than cores available. Parameters to be used: Number of minimization steps (NSTEPS): 5000 Golden section step sizes: maximal (MAXSTEP): 0.0001 minimal (MINSTEP): 1e-08 Verbosity (VERBOSE): 1 Write output every: 100 steps (WRITEFREQ) Record trajectory (TRAJECTORY): disabled Pedantic treatment of molecules (PEDANTICMOL): disabled Van der Waals cutoff radius (CUTOFF): 12 Born generalized solvent (USEBORN): disabled Constraints on secondary struct. (SSCONSTR): enabled Auto-detection of secondary struct. (SSDETECT): enabled Secondary structure (SECSTRUCT): none specified Hydrogen bonds (HBONDS): enabled Electrostatics (ELECTR): enabled van der Waals interactions (VANDERWAALS): enabled Anti-blow-up protection (BLOWGUARD): enabled Occupancy as positional restraint (POSRESTRAINTS): disabled Restraints description (RESTRFILE): none Number of parallel threads: 1 ----------------------------------------------------------------------------- Internal Warning: unknown atom type(s) in bond: C2 H5 Internal Warning: unknown atom type(s) in bond: C2 N* Internal Warning: unknown atom type(s) in bond: C2 NB Internal Warning: unknown atom type(s) in bond: C C1 Internal Warning: unknown atom type(s) in bond: CA C1 Internal Warning: unknown atom type(s) in bond: C1 C1 Internal Warning: unknown atom type(s) in bond: C1 CT Internal Warning: unknown atom type(s) in bond: C1 HA Internal Warning: unknown atom type(s) in bond: C1 H4 Internal Warning: unknown atom type(s) in bond: C1 N* Internal Warning: unknown atoms in angle: H5 C2 N* Internal Warning: unknown atoms in angle: H5 C2 NB Internal Warning: unknown atoms in angle: N* C2 NB Internal Warning: unknown atoms in angle: CB N* C2 Internal Warning: unknown atoms in angle: C2 N* CT Internal Warning: unknown atoms in angle: CB NB C2 Internal Warning: unknown atoms in angle: C1 C NA Internal Warning: unknown atoms in angle: C1 C O Internal Warning: unknown atoms in angle: C1 CA N2 Internal Warning: unknown atoms in angle: C1 CA NC Internal Warning: unknown atoms in angle: C C1 C1 Internal Warning: unknown atoms in angle: C C1 CT Internal Warning: unknown atoms in angle: C C1 HA Internal Warning: unknown atoms in angle: C C1 H4 Internal Warning: unknown atoms in angle: CA C1 C1 Internal Warning: unknown atoms in angle: CA C1 HA Internal Warning: unknown atoms in angle: CA C1 H4 Internal Warning: unknown atoms in angle: C1 C1 CT Internal Warning: unknown atoms in angle: C1 C1 HA Internal Warning: unknown atoms in angle: C1 C1 H4 Internal Warning: unknown atoms in angle: C1 C1 N* Internal Warning: unknown atoms in angle: H4 C1 N* Internal Warning: unknown atoms in angle: H1 CT C1 Internal Warning: unknown atoms in angle: HC CT C1 Internal Warning: unknown atoms in angle: C N* C1 Internal Warning: unknown atoms in angle: C1 N* CT Internal Warning: unknown atom(s) in dihedral: X C2 N* X Internal Warning: unknown atom(s) in dihedral: X C2 NB X Internal Warning: unknown atom(s) in dihedral: X C C1 X Internal Warning: unknown atom(s) in dihedral: X CA C1 X Internal Warning: unknown atom(s) in dihedral: X C1 C1 X Internal Warning: unknown atom(s) in dihedral: X C1 CT X Internal Warning: unknown atom(s) in dihedral: X C1 N* X Internal Warning: unknown atom(s) in dihedral: HC CT C1 C1 Internal Warning: unknown atom(s) in dihedral: HC CT C1 C1 Internal Warning: unknown atom(s) in dihedral: C1 C1 C O Internal Warning: unknown atom(s) in dihedral: C1 C1 C O Internal Warning: unknown atom(s) in dihedral: OS CT N* C2 Internal Warning: unknown atom(s) in dihedral: OS CT N* C2 Internal Warning: unknown atom(s) in dihedral: OS CT N* C2 Internal Warning: unknown atom(s) in dihedral: OS CT N* C1 Internal Warning: unknown atom(s) in dihedral: OS CT N* C1 Internal Warning: unknown atom(s) in dihedral: OS CT N* C1 Internal Warning: unknown atom(s) in dihedral: OS CT N* C1 Internal Warning: unknown atom(s) in improper: C C1 N* CT Internal Warning: unknown atom(s) in improper: C C1 C1 CT Internal Warning: unknown atom(s) in improper: C1 N2 CA NC Initializing... Generic atom descriptions read: 47 Generic bond descriptions read: 199 Generic angle descriptions read: 567 Generic dihedral descriptions read: 812 Generic improper descriptions read: 116 Generic vdW descriptions read: 47 ----------------------------------------------------------------------------- ============================================================================= Reading PDB file: /home/ubuntu/rna-tools/rna_tools/tools/webserver-engine/media/jobs/234f02c2/tmp/C8MA1_refx/C8MA1.pdb ============================================================================= Error: recognition of atom ATOM 19 'H5' DA A 1 ... failed. Atom erased. Error: recognition of atom ATOM 20 'HO5 DA A 1 ... failed. Atom erased. Error: recognition of atom ATOM 24 1H2' DA A 1 ... failed. Atom erased. Error: recognition of atom ATOM 25 2H2' DA A 1 ... failed. Atom erased. Error: recognition of atom ATOM 47 C5M DT A 2 ... failed. Atom erased. Error: recognition of atom ATOM 51 HN3 DT A 2 ... failed. Atom erased. Error: recognition of atom ATOM 52 1HM5 DT A 2 ... failed. Atom erased. Error: recognition of atom ATOM 53 2HM5 DT A 2 ... failed. Atom erased. Error: recognition of atom ATOM 54 3HM5 DT A 2 ... failed. Atom erased. Error: recognition of atom ATOM 81 'H5' DA A 3 ... failed. Atom erased. Error: recognition of atom ATOM 85 1H2' DA A 3 ... failed. Atom erased. Error: recognition of atom ATOM 86 2H2' DA A 3 ... failed. Atom erased. Error: recognition of atom ATOM 114 'H5' DG A 4 ... failed. Atom erased. Error: recognition of atom ATOM 118 1H2' DG A 4 ... failed. Atom erased. Error: recognition of atom ATOM 119 2H2' DG A 4 ... failed. Atom erased. Error: recognition of atom ATOM 144 'H5' DC A 5 ... failed. Atom erased. Error: recognition of atom ATOM 148 1H2' DC A 5 ... failed. Atom erased. Error: recognition of atom ATOM 149 2H2' DC A 5 ... failed. Atom erased. Error: recognition of atom ATOM 176 'H5' DA A 6 ... failed. Atom erased. Error: recognition of atom ATOM 180 1H2' DA A 6 ... failed. Atom erased. Error: recognition of atom ATOM 181 2H2' DA A 6 ... failed. Atom erased. Error: recognition of atom ATOM 203 C5M DT A 7 ... failed. Atom erased. Error: recognition of atom ATOM 207 HN3 DT A 7 ... failed. Atom erased. Error: recognition of atom ATOM 208 1HM5 DT A 7 ... failed. Atom erased. Error: recognition of atom ATOM 209 2HM5 DT A 7 ... failed. Atom erased. Error: recognition of atom ATOM 210 3HM5 DT A 7 ... failed. Atom erased. Error: recognition of atom ATOM 238 'H5' DG A 8 ... failed. Atom erased. Error: recognition of atom ATOM 242 1H2' DG A 8 ... failed. Atom erased. Error: recognition of atom ATOM 243 2H2' DG A 8 ... failed. Atom erased. Error: recognition of atom ATOM 270 'H5' DA A 9 ... failed. Atom erased. Error: recognition of atom ATOM 274 1H2' DA A 9 ... failed. Atom erased. Error: recognition of atom ATOM 275 2H2' DA A 9 ... failed. Atom erased. Error: recognition of atom ATOM 302 'H5' DA A 10 ... failed. Atom erased. Error: recognition of atom ATOM 306 1H2' DA A 10 ... failed. Atom erased. Error: recognition of atom ATOM 307 2H2' DA A 10 ... failed. Atom erased. Error: recognition of atom ATOM 329 C5M DT A 11 ... failed. Atom erased. Error: recognition of atom ATOM 333 HN3 DT A 11 ... failed. Atom erased. Error: recognition of atom ATOM 334 1HM5 DT A 11 ... failed. Atom erased. Error: recognition of atom ATOM 335 2HM5 DT A 11 ... failed. Atom erased. Error: recognition of atom ATOM 336 3HM5 DT A 11 ... failed. Atom erased. Error: recognition of atom ATOM 358 C5M DT A 12 ... failed. Atom erased. Error: recognition of atom ATOM 362 HN3 DT A 12 ... failed. Atom erased. Error: recognition of atom ATOM 363 1HM5 DT A 12 ... failed. Atom erased. Error: recognition of atom ATOM 364 2HM5 DT A 12 ... failed. Atom erased. Error: recognition of atom ATOM 365 3HM5 DT A 12 ... failed. Atom erased. Error: recognition of atom ATOM 390 'H5' DC A 13 ... failed. Atom erased. Error: recognition of atom ATOM 394 1H2' DC A 13 ... failed. Atom erased. Error: recognition of atom ATOM 395 2H2' DC A 13 ... failed. Atom erased. Error: recognition of atom ATOM 420 'H5' DC A 14 ... failed. Atom erased. Error: recognition of atom ATOM 424 1H2' DC A 14 ... failed. Atom erased. Error: recognition of atom ATOM 425 2H2' DC A 14 ... failed. Atom erased. Error: recognition of atom ATOM 450 'H5' DC A 15 ... failed. Atom erased. Error: recognition of atom ATOM 454 1H2' DC A 15 ... failed. Atom erased. Error: recognition of atom ATOM 455 2H2' DC A 15 ... failed. Atom erased. Error: recognition of atom ATOM 483 'H5' DG A 16 ... failed. Atom erased. Error: recognition of atom ATOM 487 1H2' DG A 16 ... failed. Atom erased. Error: recognition of atom ATOM 488 2H2' DG A 16 ... failed. Atom erased. Error: recognition of atom ATOM 515 'H5' DA A 17 ... failed. Atom erased. Error: recognition of atom ATOM 519 1H2' DA A 17 ... failed. Atom erased. Error: recognition of atom ATOM 520 2H2' DA A 17 ... failed. Atom erased. Error: recognition of atom ATOM 547 'H5' DA A 18 ... failed. Atom erased. Error: recognition of atom ATOM 551 1H2' DA A 18 ... failed. Atom erased. Error: recognition of atom ATOM 552 2H2' DA A 18 ... failed. Atom erased. Error: recognition of atom ATOM 580 'H5' DG A 19 ... failed. Atom erased. Error: recognition of atom ATOM 584 1H2' DG A 19 ... failed. Atom erased. Error: recognition of atom ATOM 585 2H2' DG A 19 ... failed. Atom erased. Error: recognition of atom ATOM 612 'H5' DA A 20 ... failed. Atom erased. Error: recognition of atom ATOM 616 1H2' DA A 20 ... failed. Atom erased. Error: recognition of atom ATOM 617 2H2' DA A 20 ... failed. Atom erased. Error: recognition of atom ATOM 642 'H5' DC A 21 ... failed. Atom erased. Error: recognition of atom ATOM 646 1H2' DC A 21 ... failed. Atom erased. Error: recognition of atom ATOM 647 2H2' DC A 21 ... failed. Atom erased. Error: recognition of atom ATOM 675 'H5' DG A 22 ... failed. Atom erased. Error: recognition of atom ATOM 679 1H2' DG A 22 ... failed. Atom erased. Error: recognition of atom ATOM 680 2H2' DG A 22 ... failed. Atom erased. Error: recognition of atom ATOM 705 'H5' DC A 23 ... failed. Atom erased. Error: recognition of atom ATOM 709 1H2' DC A 23 ... failed. Atom erased. Error: recognition of atom ATOM 710 2H2' DC A 23 ... failed. Atom erased. Error: recognition of atom ATOM 737 'H5' DA A 24 ... failed. Atom erased. Error: recognition of atom ATOM 741 1H2' DA A 24 ... failed. Atom erased. Error: recognition of atom ATOM 742 2H2' DA A 24 ... failed. Atom erased. Error: recognition of atom ATOM 769 'H5' DA A 25 ... failed. Atom erased. Error: recognition of atom ATOM 773 1H2' DA A 25 ... failed. Atom erased. Error: recognition of atom ATOM 774 2H2' DA A 25 ... failed. Atom erased. Error: recognition of atom ATOM 799 'H5' DC A 26 ... failed. Atom erased. Error: recognition of atom ATOM 803 1H2' DC A 26 ... failed. Atom erased. Error: recognition of atom ATOM 804 2H2' DC A 26 ... failed. Atom erased. Error: recognition of atom ATOM 829 'H5' DC A 27 ... failed. Atom erased. Error: recognition of atom ATOM 833 1H2' DC A 27 ... failed. Atom erased. Error: recognition of atom ATOM 834 2H2' DC A 27 ... failed. Atom erased. Error: recognition of atom ATOM 859 'H5' DC A 28 ... failed. Atom erased. Error: recognition of atom ATOM 863 1H2' DC A 28 ... failed. Atom erased. Error: recognition of atom ATOM 864 2H2' DC A 28 ... failed. Atom erased. Error: recognition of atom ATOM 886 C5M DT A 29 ... failed. Atom erased. Error: recognition of atom ATOM 890 HN3 DT A 29 ... failed. Atom erased. Error: recognition of atom ATOM 891 1HM5 DT A 29 ... failed. Atom erased. Error: recognition of atom ATOM 892 2HM5 DT A 29 ... failed. Atom erased. Error: recognition of atom ATOM 893 3HM5 DT A 29 ... failed. Atom erased. Error: recognition of atom ATOM 915 C5M DT A 30 ... failed. Atom erased. Error: recognition of atom ATOM 919 HN3 DT A 30 ... failed. Atom erased. Error: recognition of atom ATOM 920 1HM5 DT A 30 ... failed. Atom erased. Error: recognition of atom ATOM 921 2HM5 DT A 30 ... failed. Atom erased. Error: recognition of atom ATOM 922 3HM5 DT A 30 ... failed. Atom erased. Error: recognition of atom ATOM 949 'H5' DA A 31 ... failed. Atom erased. Error: recognition of atom ATOM 953 1H2' DA A 31 ... failed. Atom erased. Error: recognition of atom ATOM 954 2H2' DA A 31 ... failed. Atom erased. Error: recognition of atom ATOM 981 'H5' DA A 32 ... failed. Atom erased. Error: recognition of atom ATOM 985 1H2' DA A 32 ... failed. Atom erased. Error: recognition of atom ATOM 986 2H2' DA A 32 ... failed. Atom erased. Error: recognition of atom ATOM 1013 'H5' DA A 33 ... failed. Atom erased. Error: recognition of atom ATOM 1017 1H2' DA A 33 ... failed. Atom erased. Error: recognition of atom ATOM 1018 2H2' DA A 33 ... failed. Atom erased. Error: recognition of atom ATOM 1043 'H5' DC A 34 ... failed. Atom erased. Error: recognition of atom ATOM 1047 1H2' DC A 34 ... failed. Atom erased. Error: recognition of atom ATOM 1048 2H2' DC A 34 ... failed. Atom erased. Error: recognition of atom ATOM 1075 'H5' DA A 35 ... failed. Atom erased. Error: recognition of atom ATOM 1079 1H2' DA A 35 ... failed. Atom erased. Error: recognition of atom ATOM 1080 2H2' DA A 35 ... failed. Atom erased. Error: recognition of atom ATOM 1107 'H5' DA A 36 ... failed. Atom erased. Error: recognition of atom ATOM 1111 1H2' DA A 36 ... failed. Atom erased. Error: recognition of atom ATOM 1112 2H2' DA A 36 ... failed. Atom erased. Error: recognition of atom ATOM 1139 'H5' DA A 37 ... failed. Atom erased. Error: recognition of atom ATOM 1143 1H2' DA A 37 ... failed. Atom erased. Error: recognition of atom ATOM 1144 2H2' DA A 37 ... failed. Atom erased. Error: recognition of atom ATOM 1166 C5M DT A 38 ... failed. Atom erased. Error: recognition of atom ATOM 1170 HN3 DT A 38 ... failed. Atom erased. Error: recognition of atom ATOM 1171 1HM5 DT A 38 ... failed. Atom erased. Error: recognition of atom ATOM 1172 2HM5 DT A 38 ... failed. Atom erased. Error: recognition of atom ATOM 1173 3HM5 DT A 38 ... failed. Atom erased. Error: recognition of atom ATOM 1201 'H5' DG A 39 ... failed. Atom erased. Error: recognition of atom ATOM 1205 1H2' DG A 39 ... failed. Atom erased. Error: recognition of atom ATOM 1206 2H2' DG A 39 ... failed. Atom erased. Error: recognition of atom ATOM 1228 C5M DT A 40 ... failed. Atom erased. Error: recognition of atom ATOM 1232 HN3 DT A 40 ... failed. Atom erased. Error: recognition of atom ATOM 1233 1HM5 DT A 40 ... failed. Atom erased. Error: recognition of atom ATOM 1234 2HM5 DT A 40 ... failed. Atom erased. Error: recognition of atom ATOM 1235 3HM5 DT A 40 ... failed. Atom erased. Error: recognition of atom ATOM 1260 'H5' DC A 41 ... failed. Atom erased. Error: recognition of atom ATOM 1264 1H2' DC A 41 ... failed. Atom erased. Error: recognition of atom ATOM 1265 2H2' DC A 41 ... failed. Atom erased. Error: recognition of atom ATOM 1292 'H5' DA A 42 ... failed. Atom erased. Error: recognition of atom ATOM 1296 1H2' DA A 42 ... failed. Atom erased. Error: recognition of atom ATOM 1297 2H2' DA A 42 ... failed. Atom erased. Error: recognition of atom ATOM 1324 'H5' DA A 43 ... failed. Atom erased. Error: recognition of atom ATOM 1328 1H2' DA A 43 ... failed. Atom erased. Error: recognition of atom ATOM 1329 2H2' DA A 43 ... failed. Atom erased. Error: recognition of atom ATOM 1356 'H5' DA A 44 ... failed. Atom erased. Error: recognition of atom ATOM 1360 1H2' DA A 44 ... failed. Atom erased. Error: recognition of atom ATOM 1361 2H2' DA A 44 ... failed. Atom erased. Error: recognition of atom ATOM 1386 'H5' DC A 45 ... failed. Atom erased. Error: recognition of atom ATOM 1390 1H2' DC A 45 ... failed. Atom erased. Error: recognition of atom ATOM 1391 2H2' DC A 45 ... failed. Atom erased. Error: recognition of atom ATOM 1413 C5M DT A 46 ... failed. Atom erased. Error: recognition of atom ATOM 1417 HN3 DT A 46 ... failed. Atom erased. Error: recognition of atom ATOM 1418 1HM5 DT A 46 ... failed. Atom erased. Error: recognition of atom ATOM 1419 2HM5 DT A 46 ... failed. Atom erased. Error: recognition of atom ATOM 1420 3HM5 DT A 46 ... failed. Atom erased. Error: recognition of atom ATOM 1442 C5M DT A 47 ... failed. Atom erased. Error: recognition of atom ATOM 1446 HN3 DT A 47 ... failed. Atom erased. Error: recognition of atom ATOM 1447 1HM5 DT A 47 ... failed. Atom erased. Error: recognition of atom ATOM 1448 2HM5 DT A 47 ... failed. Atom erased. Error: recognition of atom ATOM 1449 3HM5 DT A 47 ... failed. Atom erased. Error: recognition of atom ATOM 1474 'H5' DC A 48 ... failed. Atom erased. Error: recognition of atom ATOM 1478 1H2' DC A 48 ... failed. Atom erased. Error: recognition of atom ATOM 1479 2H2' DC A 48 ... failed. Atom erased. Error: recognition of atom ATOM 1506 'H5' DA A 49 ... failed. Atom erased. Error: recognition of atom ATOM 1510 1H2' DA A 49 ... failed. Atom erased. Error: recognition of atom ATOM 1511 2H2' DA A 49 ... failed. Atom erased. Error: recognition of atom ATOM 1533 C5M DT A 50 ... failed. Atom erased. Error: recognition of atom ATOM 1537 HN3 DT A 50 ... failed. Atom erased. Error: recognition of atom ATOM 1538 1HM5 DT A 50 ... failed. Atom erased. Error: recognition of atom ATOM 1539 2HM5 DT A 50 ... failed. Atom erased. Error: recognition of atom ATOM 1540 3HM5 DT A 50 ... failed. Atom erased. Error: recognition of atom ATOM 1562 C5M DT A 51 ... failed. Atom erased. Error: recognition of atom ATOM 1566 HN3 DT A 51 ... failed. Atom erased. Error: recognition of atom ATOM 1567 1HM5 DT A 51 ... failed. Atom erased. Error: recognition of atom ATOM 1568 2HM5 DT A 51 ... failed. Atom erased. Error: recognition of atom ATOM 1569 3HM5 DT A 51 ... failed. Atom erased. Error: recognition of atom ATOM 1591 C5M DT A 52 ... failed. Atom erased. Error: recognition of atom ATOM 1595 HN3 DT A 52 ... failed. Atom erased. Error: recognition of atom ATOM 1596 1HM5 DT A 52 ... failed. Atom erased. Error: recognition of atom ATOM 1597 2HM5 DT A 52 ... failed. Atom erased. Error: recognition of atom ATOM 1598 3HM5 DT A 52 ... failed. Atom erased. Error: recognition of atom ATOM 1623 'H5' DC A 53 ... failed. Atom erased. Error: recognition of atom ATOM 1627 1H2' DC A 53 ... failed. Atom erased. Error: recognition of atom ATOM 1628 2H2' DC A 53 ... failed. Atom erased. Error: recognition of atom ATOM 1650 C5M DT A 54 ... failed. Atom erased. Error: recognition of atom ATOM 1654 HN3 DT A 54 ... failed. Atom erased. Error: recognition of atom ATOM 1655 1HM5 DT A 54 ... failed. Atom erased. Error: recognition of atom ATOM 1656 2HM5 DT A 54 ... failed. Atom erased. Error: recognition of atom ATOM 1657 3HM5 DT A 54 ... failed. Atom erased. Error: recognition of atom ATOM 1682 'H5' DC A 55 ... failed. Atom erased. Error: recognition of atom ATOM 1686 1H2' DC A 55 ... failed. Atom erased. Error: recognition of atom ATOM 1687 2H2' DC A 55 ... failed. Atom erased. Error: recognition of atom ATOM 1709 C5M DT A 56 ... failed. Atom erased. Error: recognition of atom ATOM 1713 HN3 DT A 56 ... failed. Atom erased. Error: recognition of atom ATOM 1714 1HM5 DT A 56 ... failed. Atom erased. Error: recognition of atom ATOM 1715 2HM5 DT A 56 ... failed. Atom erased. Error: recognition of atom ATOM 1716 3HM5 DT A 56 ... failed. Atom erased. Error: recognition of atom ATOM 1738 C5M DT A 57 ... failed. Atom erased. Error: recognition of atom ATOM 1742 HN3 DT A 57 ... failed. Atom erased. Error: recognition of atom ATOM 1743 1HM5 DT A 57 ... failed. Atom erased. Error: recognition of atom ATOM 1744 2HM5 DT A 57 ... failed. Atom erased. Error: recognition of atom ATOM 1745 3HM5 DT A 57 ... failed. Atom erased. Error: recognition of atom ATOM 1767 C5M DT A 58 ... failed. Atom erased. Error: recognition of atom ATOM 1771 HN3 DT A 58 ... failed. Atom erased. Error: recognition of atom ATOM 1772 1HM5 DT A 58 ... failed. Atom erased. Error: recognition of atom ATOM 1773 2HM5 DT A 58 ... failed. Atom erased. Error: recognition of atom ATOM 1774 3HM5 DT A 58 ... failed. Atom erased. Error: recognition of atom ATOM 1796 C5M DT A 59 ... failed. Atom erased. Error: recognition of atom ATOM 1800 HN3 DT A 59 ... failed. Atom erased. Error: recognition of atom ATOM 1801 1HM5 DT A 59 ... failed. Atom erased. Error: recognition of atom ATOM 1802 2HM5 DT A 59 ... failed. Atom erased. Error: recognition of atom ATOM 1803 3HM5 DT A 59 ... failed. Atom erased. Error: recognition of atom ATOM 1830 'H5' DA A 60 ... failed. Atom erased. Error: recognition of atom ATOM 1834 1H2' DA A 60 ... failed. Atom erased. Error: recognition of atom ATOM 1835 2H2' DA A 60 ... failed. Atom erased. Error: recognition of atom ATOM 1863 'H5' DG A 61 ... failed. Atom erased. Error: recognition of atom ATOM 1867 1H2' DG A 61 ... failed. Atom erased. Error: recognition of atom ATOM 1868 2H2' DG A 61 ... failed. Atom erased. Error: recognition of atom ATOM 1890 C5M DT A 62 ... failed. Atom erased. Error: recognition of atom ATOM 1894 HN3 DT A 62 ... failed. Atom erased. Error: recognition of atom ATOM 1895 1HM5 DT A 62 ... failed. Atom erased. Error: recognition of atom ATOM 1896 2HM5 DT A 62 ... failed. Atom erased. Error: recognition of atom ATOM 1897 3HM5 DT A 62 ... failed. Atom erased. Error: recognition of atom ATOM 1925 'H5' DG A 63 ... failed. Atom erased. Error: recognition of atom ATOM 1929 1H2' DG A 63 ... failed. Atom erased. Error: recognition of atom ATOM 1930 2H2' DG A 63 ... failed. Atom erased. Error: recognition of atom ATOM 1958 'H5' DG A 64 ... failed. Atom erased. Error: recognition of atom ATOM 1962 1H2' DG A 64 ... failed. Atom erased. Error: recognition of atom ATOM 1963 2H2' DG A 64 ... failed. Atom erased. Error: recognition of atom ATOM 1985 C5M DT A 65 ... failed. Atom erased. Error: recognition of atom ATOM 1989 HN3 DT A 65 ... failed. Atom erased. Error: recognition of atom ATOM 1990 1HM5 DT A 65 ... failed. Atom erased. Error: recognition of atom ATOM 1991 2HM5 DT A 65 ... failed. Atom erased. Error: recognition of atom ATOM 1992 3HM5 DT A 65 ... failed. Atom erased. Error: recognition of atom ATOM 2017 'H5' DC A 66 ... failed. Atom erased. Error: recognition of atom ATOM 2021 1H2' DC A 66 ... failed. Atom erased. Error: recognition of atom ATOM 2022 2H2' DC A 66 ... failed. Atom erased. Error: recognition of atom ATOM 2050 'H5' DG A 67 ... failed. Atom erased. Error: recognition of atom ATOM 2054 1H2' DG A 67 ... failed. Atom erased. Error: recognition of atom ATOM 2055 2H2' DG A 67 ... failed. Atom erased. Error: recognition of atom ATOM 2082 'H5' DA A 68 ... failed. Atom erased. Error: recognition of atom ATOM 2086 1H2' DA A 68 ... failed. Atom erased. Error: recognition of atom ATOM 2087 2H2' DA A 68 ... failed. Atom erased. Error: recognition of atom ATOM 2112 'H5' DC A 69 ... failed. Atom erased. Error: recognition of atom ATOM 2116 1H2' DC A 69 ... failed. Atom erased. Error: recognition of atom ATOM 2117 2H2' DC A 69 ... failed. Atom erased. Error: recognition of atom ATOM 2145 'H5' DG A 70 ... failed. Atom erased. Error: recognition of atom ATOM 2149 1H2' DG A 70 ... failed. Atom erased. Error: recognition of atom ATOM 2150 2H2' DG A 70 ... failed. Atom erased. Error: recognition of atom ATOM 2177 'H5' DA A 71 ... failed. Atom erased. Error: recognition of atom ATOM 2181 1H2' DA A 71 ... failed. Atom erased. Error: recognition of atom ATOM 2182 2H2' DA A 71 ... failed. Atom erased. Error: recognition of atom ATOM 2210 'H5' DG A 72 ... failed. Atom erased. Error: recognition of atom ATOM 2214 1H2' DG A 72 ... failed. Atom erased. Error: recognition of atom ATOM 2215 2H2' DG A 72 ... failed. Atom erased. Error: recognition of atom ATOM 2243 'H5' DG A 73 ... failed. Atom erased. Error: recognition of atom ATOM 2247 1H2' DG A 73 ... failed. Atom erased. Error: recognition of atom ATOM 2248 2H2' DG A 73 ... failed. Atom erased. Error: recognition of atom ATOM 2270 C5M DT A 74 ... failed. Atom erased. Error: recognition of atom ATOM 2274 HN3 DT A 74 ... failed. Atom erased. Error: recognition of atom ATOM 2275 1HM5 DT A 74 ... failed. Atom erased. Error: recognition of atom ATOM 2276 2HM5 DT A 74 ... failed. Atom erased. Error: recognition of atom ATOM 2277 3HM5 DT A 74 ... failed. Atom erased. Error: recognition of atom ATOM 2302 'H5' DC A 75 ... failed. Atom erased. Error: recognition of atom ATOM 2306 1H2' DC A 75 ... failed. Atom erased. Error: recognition of atom ATOM 2307 2H2' DC A 75 ... failed. Atom erased. Error: recognition of atom ATOM 2329 C5M DT A 76 ... failed. Atom erased. Error: recognition of atom ATOM 2333 HN3 DT A 76 ... failed. Atom erased. Error: recognition of atom ATOM 2334 1HM5 DT A 76 ... failed. Atom erased. Error: recognition of atom ATOM 2335 2HM5 DT A 76 ... failed. Atom erased. Error: recognition of atom ATOM 2336 3HM5 DT A 76 ... failed. Atom erased. Error: recognition of atom ATOM 2363 'H5' DA A 77 ... failed. Atom erased. Error: recognition of atom ATOM 2367 1H2' DA A 77 ... failed. Atom erased. Error: recognition of atom ATOM 2368 2H2' DA A 77 ... failed. Atom erased. Error: recognition of atom ATOM 2396 'H5' DG A 78 ... failed. Atom erased. Error: recognition of atom ATOM 2400 1H2' DG A 78 ... failed. Atom erased. Error: recognition of atom ATOM 2401 2H2' DG A 78 ... failed. Atom erased. Error: recognition of atom ATOM 2428 'H5' DA A 79 ... failed. Atom erased. Error: recognition of atom ATOM 2432 1H2' DA A 79 ... failed. Atom erased. Error: recognition of atom ATOM 2433 2H2' DA A 79 ... failed. Atom erased. Error: recognition of atom ATOM 2460 'H5' DA A 80 ... failed. Atom erased. Error: recognition of atom ATOM 2464 1H2' DA A 80 ... failed. Atom erased. Error: recognition of atom ATOM 2465 2H2' DA A 80 ... failed. Atom erased. Error: recognition of atom ATOM 2487 C5M DT A 81 ... failed. Atom erased. Error: recognition of atom ATOM 2491 HN3 DT A 81 ... failed. Atom erased. Error: recognition of atom ATOM 2492 1HM5 DT A 81 ... failed. Atom erased. Error: recognition of atom ATOM 2493 2HM5 DT A 81 ... failed. Atom erased. Error: recognition of atom ATOM 2494 3HM5 DT A 81 ... failed. Atom erased. Error: recognition of atom ATOM 2521 'H5' DA A 82 ... failed. Atom erased. Error: recognition of atom ATOM 2525 1H2' DA A 82 ... failed. Atom erased. Error: recognition of atom ATOM 2526 2H2' DA A 82 ... failed. Atom erased. Error: recognition of atom ATOM 2551 'H5' DC A 83 ... failed. Atom erased. Error: recognition of atom ATOM 2555 1H2' DC A 83 ... failed. Atom erased. Error: recognition of atom ATOM 2556 2H2' DC A 83 ... failed. Atom erased. Error: recognition of atom ATOM 2581 'H5' DC A 84 ... failed. Atom erased. Error: recognition of atom ATOM 2585 1H2' DC A 84 ... failed. Atom erased. Error: recognition of atom ATOM 2586 2H2' DC A 84 ... failed. Atom erased. Error: recognition of atom ATOM 2613 'H5' DA A 85 ... failed. Atom erased. Error: recognition of atom ATOM 2617 1H2' DA A 85 ... failed. Atom erased. Error: recognition of atom ATOM 2618 2H2' DA A 85 ... failed. Atom erased. Error: recognition of atom ATOM 2646 'H5' DG A 86 ... failed. Atom erased. Error: recognition of atom ATOM 2647 'HO3 DG A 86 ... failed. Atom erased. Error: recognition of atom ATOM 2651 1H2' DG A 86 ... failed. Atom erased. Error: recognition of atom ATOM 2652 2H2' DG A 86 ... failed. Atom erased. Missing atom added: HETATM 1 P DA A 1 -1.387 0.407 -3.058 1.00 0.00 P Missing atom added: HETATM 24 H5'2 DA A 1 0.647 -1.142 -1.610 1.00 0.00 H Missing atom added: HETATM 11 H2'2 DA A 1 2.307 -0.509 2.377 1.00 0.00 H Missing atom added: HETATM 27 H2' DA A 1 0.431 -0.444 3.065 1.00 0.00 H Missing atom added: HETATM 22 H5'2 DT A 2 0.549 -5.132 3.720 1.00 0.00 H Missing atom added: HETATM 25 H2' DT A 2 -2.400 -2.638 6.354 1.00 0.00 H Missing atom added: HETATM 26 H2'2 DT A 2 -2.512 -4.056 7.389 1.00 0.00 H Missing atom added: HETATM 28 H3 DT A 2 -5.170 0.632 5.471 1.00 0.00 H Missing atom added: HETATM 19 C7 DT A 2 -4.039 -1.674 1.674 1.00 0.00 C Missing atom added: HETATM 30 H72 DT A 2 -3.653 -0.827 1.090 1.00 0.00 H Missing atom added: HETATM 29 H71 DT A 2 -5.093 -1.826 1.398 1.00 0.00 H Missing atom added: HETATM 31 H73 DT A 2 -3.479 -2.573 1.379 1.00 0.00 H Missing atom added: HETATM 24 H5'2 DA A 3 -4.364 -7.469 7.746 1.00 0.00 H Missing atom added: HETATM 11 H2'2 DA A 3 -7.284 -5.432 10.236 1.00 0.00 H Missing atom added: HETATM 27 H2' DA A 3 -8.221 -4.968 8.532 1.00 0.00 H Missing atom added: HETATM 25 H5'2 DG A 4 -10.891 -8.030 9.293 1.00 0.00 H Missing atom added: HETATM 11 H2'2 DG A 4 -13.662 -4.982 8.914 1.00 0.00 H Missing atom added: HETATM 28 H2' DG A 4 -13.636 -5.279 6.937 1.00 0.00 H Missing atom added: HETATM 22 H5'2 DC A 5 -16.998 -8.042 6.766 1.00 0.00 H Missing atom added: HETATM 11 H2'2 DC A 5 -18.796 -4.801 4.237 1.00 0.00 H Missing atom added: HETATM 25 H2' DC A 5 -17.508 -5.495 2.876 1.00 0.00 H Missing atom added: HETATM 24 H5'2 DA A 6 -20.322 -7.753 1.614 1.00 0.00 H Missing atom added: HETATM 11 H2'2 DA A 6 -19.977 -4.708 -1.578 1.00 0.00 H Missing atom added: HETATM 27 H2' DA A 6 -18.539 -5.859 -2.355 1.00 0.00 H Missing atom added: HETATM 22 H5'2 DT A 7 -21.215 -8.197 -4.592 1.00 0.00 H Missing atom added: HETATM 25 H2' DT A 7 -16.555 -7.722 -5.861 1.00 0.00 H Missing atom added: HETATM 26 H2'2 DT A 7 -17.053 -8.431 -7.392 1.00 0.00 H Missing atom added: HETATM 28 H3 DT A 7 -12.945 -8.286 -3.510 1.00 0.00 H Missing atom added: HETATM 19 C7 DT A 7 -16.540 -10.387 -1.521 1.00 0.00 C Missing atom added: HETATM 30 H72 DT A 7 -16.406 -9.985 -0.519 1.00 0.00 H Missing atom added: HETATM 29 H71 DT A 7 -16.055 -11.361 -1.591 1.00 0.00 H Missing atom added: HETATM 31 H73 DT A 7 -17.604 -10.497 -1.730 1.00 0.00 H Missing atom added: HETATM 25 H5'2 DG A 8 -17.480 -10.919 -9.348 1.00 0.00 H Missing atom added: HETATM 11 H2'2 DG A 8 -13.626 -9.672 -10.788 1.00 0.00 H Missing atom added: HETATM 28 H2' DG A 8 -12.856 -11.088 -9.605 1.00 0.00 H Missing atom added: HETATM 24 H5'2 DA A 9 -13.487 -14.622 -12.478 1.00 0.00 H Missing atom added: HETATM 11 H2'2 DA A 9 -9.050 -15.271 -11.955 1.00 0.00 H Missing atom added: HETATM 27 H2' DA A 9 -9.472 -16.037 -10.157 1.00 0.00 H Missing atom added: HETATM 24 H5'2 DA A 10 -9.806 -19.558 -11.319 1.00 0.00 H Missing atom added: HETATM 11 H2'2 DA A 10 -5.970 -20.092 -9.407 1.00 0.00 H Missing atom added: HETATM 27 H2' DA A 10 -6.996 -20.490 -7.738 1.00 0.00 H Missing atom added: HETATM 22 H5'2 DT A 11 -7.324 -24.470 -8.380 1.00 0.00 H Missing atom added: HETATM 25 H2' DT A 11 -8.128 -22.580 -3.977 1.00 0.00 H Missing atom added: HETATM 26 H2'2 DT A 11 -7.828 -24.191 -3.338 1.00 0.00 H Missing atom added: HETATM 28 H3 DT A 11 -11.065 -19.383 -2.940 1.00 0.00 H Missing atom added: HETATM 19 C7 DT A 11 -12.106 -21.396 -6.981 1.00 0.00 C Missing atom added: HETATM 30 H72 DT A 11 -12.348 -20.472 -7.512 1.00 0.00 H Missing atom added: HETATM 29 H71 DT A 11 -13.031 -21.834 -6.592 1.00 0.00 H Missing atom added: HETATM 31 H73 DT A 11 -11.652 -22.100 -7.683 1.00 0.00 H Missing atom added: HETATM 22 H5'2 DT A 12 -8.561 -28.012 -3.322 1.00 0.00 H Missing atom added: HETATM 25 H2' DT A 12 -9.804 -25.351 0.265 1.00 0.00 H Missing atom added: HETATM 26 H2'2 DT A 12 -9.895 -26.823 1.224 1.00 0.00 H Missing atom added: HETATM 28 H3 DT A 12 -12.887 -22.413 0.641 1.00 0.00 H Missing atom added: HETATM 19 C7 DT A 12 -12.524 -23.707 -3.757 1.00 0.00 C Missing atom added: HETATM 30 H72 DT A 12 -12.533 -22.714 -4.207 1.00 0.00 H Missing atom added: HETATM 29 H71 DT A 12 -13.539 -24.109 -3.748 1.00 0.00 H Missing atom added: HETATM 31 H73 DT A 12 -11.884 -24.364 -4.348 1.00 0.00 H Missing atom added: HETATM 22 H5'2 DC A 13 -11.957 -29.713 2.317 1.00 0.00 H Missing atom added: HETATM 11 H2'2 DC A 13 -14.084 -26.458 4.865 1.00 0.00 H Missing atom added: HETATM 25 H2' DC A 13 -15.369 -26.190 3.357 1.00 0.00 H Missing atom added: HETATM 22 H5'2 DC A 14 -17.396 -28.878 5.831 1.00 0.00 H Missing atom added: HETATM 11 H2'2 DC A 14 -19.889 -25.589 7.210 1.00 0.00 H Missing atom added: HETATM 25 H2' DC A 14 -20.562 -25.394 5.338 1.00 0.00 H Missing atom added: HETATM 22 H5'2 DC A 15 -22.634 -29.387 5.108 1.00 0.00 H Missing atom added: HETATM 11 H2'2 DC A 15 -25.174 -25.898 2.985 1.00 0.00 H Missing atom added: HETATM 25 H2' DC A 15 -24.493 -26.548 1.222 1.00 0.00 H Missing atom added: HETATM 25 H5'2 DG A 16 -27.738 -28.279 0.623 1.00 0.00 H Missing atom added: HETATM 11 H2'2 DG A 16 -28.890 -25.514 -2.650 1.00 0.00 H Missing atom added: HETATM 28 H2' DG A 16 -27.628 -26.669 -3.684 1.00 0.00 H Missing atom added: HETATM 24 H5'2 DA A 17 -30.087 -29.243 -4.987 1.00 0.00 H Missing atom added: HETATM 11 H2'2 DA A 17 -28.691 -28.299 -8.943 1.00 0.00 H Missing atom added: HETATM 27 H2' DA A 17 -27.358 -29.749 -8.600 1.00 0.00 H Missing atom added: HETATM 24 H5'2 DA A 18 -27.698 -33.481 -7.128 1.00 0.00 H Missing atom added: HETATM 11 H2'2 DA A 18 -25.519 -35.685 -10.851 1.00 0.00 H Missing atom added: HETATM 27 H2' DA A 18 -25.145 -33.902 -11.676 1.00 0.00 H Missing atom added: HETATM 25 H5'2 DG A 19 -21.130 -33.369 -10.134 1.00 0.00 H Missing atom added: HETATM 11 H2'2 DG A 19 -21.322 -31.120 -14.195 1.00 0.00 H Missing atom added: HETATM 28 H2' DG A 19 -21.999 -29.513 -13.217 1.00 0.00 H Missing atom added: HETATM 24 H5'2 DA A 20 -18.696 -28.043 -13.472 1.00 0.00 H Missing atom added: HETATM 11 H2'2 DA A 20 -20.707 -24.838 -15.926 1.00 0.00 H Missing atom added: HETATM 27 H2' DA A 20 -20.822 -23.977 -14.125 1.00 0.00 H Missing atom added: HETATM 22 H5'2 DC A 21 -18.943 -22.985 -12.157 1.00 0.00 H Missing atom added: HETATM 11 H2'2 DC A 21 -21.685 -21.937 -10.890 1.00 0.00 H Missing atom added: HETATM 25 H2' DC A 21 -20.802 -22.548 -9.205 1.00 0.00 H Missing atom added: HETATM 25 H5'2 DG A 22 -20.918 -18.405 -8.942 1.00 0.00 H Missing atom added: HETATM 11 H2'2 DG A 22 -23.935 -18.954 -6.229 1.00 0.00 H Missing atom added: HETATM 28 H2' DG A 22 -22.463 -19.613 -5.047 1.00 0.00 H Missing atom added: HETATM 22 H5'2 DC A 23 -22.960 -15.432 -4.252 1.00 0.00 H Missing atom added: HETATM 11 H2'2 DC A 23 -25.872 -16.287 -0.859 1.00 0.00 H Missing atom added: HETATM 25 H2' DC A 23 -24.158 -16.679 0.093 1.00 0.00 H Missing atom added: HETATM 24 H5'2 DA A 24 -22.615 -12.994 1.782 1.00 0.00 H Missing atom added: HETATM 11 H2'2 DA A 24 -21.759 -15.087 5.194 1.00 0.00 H Missing atom added: HETATM 27 H2' DA A 24 -20.004 -15.389 4.285 1.00 0.00 H Missing atom added: HETATM 24 H5'2 DA A 25 -18.342 -12.574 6.083 1.00 0.00 H Missing atom added: HETATM 11 H2'2 DA A 25 -15.959 -15.801 7.771 1.00 0.00 H Missing atom added: HETATM 27 H2' DA A 25 -14.726 -15.367 6.258 1.00 0.00 H Missing atom added: HETATM 22 H5'2 DC A 26 -12.057 -13.067 7.616 1.00 0.00 H Missing atom added: HETATM 11 H2'2 DC A 26 -8.848 -15.495 5.970 1.00 0.00 H Missing atom added: HETATM 25 H2' DC A 26 -9.288 -14.436 4.332 1.00 0.00 H Missing atom added: HETATM 22 H5'2 DC A 27 -6.563 -11.896 5.537 1.00 0.00 H Missing atom added: HETATM 11 H2'2 DC A 27 -3.647 -13.284 2.608 1.00 0.00 H Missing atom added: HETATM 25 H2' DC A 27 -4.698 -12.156 1.336 1.00 0.00 H Missing atom added: HETATM 22 H5'2 DC A 28 -2.279 -9.124 1.846 1.00 0.00 H Missing atom added: HETATM 11 H2'2 DC A 28 -1.830 -9.552 -2.540 1.00 0.00 H Missing atom added: HETATM 25 H2' DC A 28 -3.483 -8.429 -2.584 1.00 0.00 H Missing atom added: HETATM 22 H5'2 DT A 29 -0.433 -6.022 -2.868 1.00 0.00 H Missing atom added: HETATM 25 H2' DT A 29 -4.406 -6.305 -5.752 1.00 0.00 H Missing atom added: HETATM 26 H2'2 DT A 29 -3.526 -5.385 -6.966 1.00 0.00 H Missing atom added: HETATM 28 H3 DT A 29 -8.673 -6.898 -4.391 1.00 0.00 H Missing atom added: HETATM 19 C7 DT A 29 -6.228 -4.078 -1.678 1.00 0.00 C Missing atom added: HETATM 30 H72 DT A 29 -6.664 -4.429 -0.734 1.00 0.00 H Missing atom added: HETATM 29 H71 DT A 29 -6.787 -3.190 -2.007 1.00 0.00 H Missing atom added: HETATM 31 H73 DT A 29 -5.190 -3.776 -1.486 1.00 0.00 H Missing atom added: HETATM 22 H5'2 DT A 30 -0.834 -2.743 -8.257 1.00 0.00 H Missing atom added: HETATM 25 H2' DT A 30 -5.472 -2.621 -10.102 1.00 0.00 H Missing atom added: HETATM 26 H2'2 DT A 30 -4.833 -1.650 -11.422 1.00 0.00 H Missing atom added: HETATM 28 H3 DT A 30 -9.306 -2.742 -7.986 1.00 0.00 H Missing atom added: HETATM 19 C7 DT A 30 -5.979 -1.848 -4.993 1.00 0.00 C Missing atom added: HETATM 30 H72 DT A 30 -6.151 -2.682 -4.297 1.00 0.00 H Missing atom added: HETATM 29 H71 DT A 30 -6.529 -0.972 -4.614 1.00 0.00 H Missing atom added: HETATM 31 H73 DT A 30 -4.906 -1.606 -4.973 1.00 0.00 H Missing atom added: HETATM 24 H5'2 DA A 31 -4.401 1.451 -12.556 1.00 0.00 H Missing atom added: HETATM 11 H2'2 DA A 31 -8.793 2.391 -13.018 1.00 0.00 H Missing atom added: HETATM 27 H2' DA A 31 -8.427 3.545 -11.427 1.00 0.00 H Missing atom added: HETATM 24 H5'2 DA A 32 -7.520 6.053 -14.726 1.00 0.00 H Missing atom added: HETATM 11 H2'2 DA A 32 -10.520 9.081 -12.785 1.00 0.00 H Missing atom added: HETATM 27 H2' DA A 32 -8.983 9.904 -11.807 1.00 0.00 H Missing atom added: HETATM 24 H5'2 DA A 33 -6.279 12.366 -14.379 1.00 0.00 H Missing atom added: HETATM 11 H2'2 DA A 33 -4.763 14.729 -15.721 1.00 0.00 H Missing atom added: HETATM 27 H2' DA A 33 -6.610 15.388 -16.109 1.00 0.00 H Missing atom added: HETATM 22 H5'2 DC A 34 -9.367 16.180 -13.066 1.00 0.00 H Missing atom added: HETATM 11 H2'2 DC A 34 -9.866 16.729 -9.054 1.00 0.00 H Missing atom added: HETATM 25 H2' DC A 34 -9.139 18.344 -9.982 1.00 0.00 H Missing atom added: HETATM 24 H5'2 DA A 35 -12.680 17.798 -14.914 1.00 0.00 H Missing atom added: HETATM 11 H2'2 DA A 35 -14.553 16.514 -16.993 1.00 0.00 H Missing atom added: HETATM 27 H2' DA A 35 -14.730 18.451 -17.458 1.00 0.00 H Missing atom added: HETATM 24 H5'2 DA A 36 -10.859 19.410 -19.820 1.00 0.00 H Missing atom added: HETATM 11 H2'2 DA A 36 -13.520 19.353 -21.449 1.00 0.00 H Missing atom added: HETATM 27 H2' DA A 36 -13.779 21.266 -20.930 1.00 0.00 H Missing atom added: HETATM 24 H5'2 DA A 37 -9.482 21.531 -25.154 1.00 0.00 H Missing atom added: HETATM 11 H2'2 DA A 37 -11.052 25.911 -26.544 1.00 0.00 H Missing atom added: HETATM 27 H2' DA A 37 -9.966 26.653 -25.039 1.00 0.00 H Missing atom added: HETATM 22 H5'2 DT A 38 -6.791 25.863 -28.584 1.00 0.00 H Missing atom added: HETATM 25 H2' DT A 38 -7.153 29.982 -25.708 1.00 0.00 H Missing atom added: HETATM 26 H2'2 DT A 38 -6.280 30.942 -26.896 1.00 0.00 H Missing atom added: HETATM 28 H3 DT A 38 -7.520 30.947 -21.681 1.00 0.00 H Missing atom added: HETATM 19 C7 DT A 38 -6.853 26.452 -21.918 1.00 0.00 C Missing atom added: HETATM 30 H72 DT A 38 -7.634 26.177 -21.207 1.00 0.00 H Missing atom added: HETATM 29 H71 DT A 38 -5.904 26.555 -21.384 1.00 0.00 H Missing atom added: HETATM 31 H73 DT A 38 -6.755 25.660 -22.663 1.00 0.00 H Missing atom added: HETATM 25 H5'2 DG A 39 -3.296 31.925 -28.560 1.00 0.00 H Missing atom added: HETATM 11 H2'2 DG A 39 -3.487 35.929 -27.031 1.00 0.00 H Missing atom added: HETATM 28 H2' DG A 39 -2.364 35.191 -25.551 1.00 0.00 H Missing atom added: HETATM 22 H5'2 DT A 40 0.846 36.317 -27.580 1.00 0.00 H Missing atom added: HETATM 25 H2' DT A 40 1.708 35.552 -23.205 1.00 0.00 H Missing atom added: HETATM 26 H2'2 DT A 40 2.971 36.759 -23.411 1.00 0.00 H Missing atom added: HETATM 28 H3 DT A 40 1.231 32.237 -20.550 1.00 0.00 H Missing atom added: HETATM 19 C7 DT A 40 1.704 30.988 -24.946 1.00 0.00 C Missing atom added: HETATM 30 H72 DT A 40 0.901 30.258 -24.952 1.00 0.00 H Missing atom added: HETATM 29 H71 DT A 40 2.652 30.498 -24.739 1.00 0.00 H Missing atom added: HETATM 31 H73 DT A 40 1.751 31.498 -25.902 1.00 0.00 H Missing atom added: HETATM 22 H5'2 DC A 41 6.314 36.382 -23.797 1.00 0.00 H Missing atom added: HETATM 11 H2'2 DC A 41 7.281 40.080 -20.707 1.00 0.00 H Missing atom added: HETATM 25 H2' DC A 41 8.396 38.787 -19.668 1.00 0.00 H Missing atom added: HETATM 24 H5'2 DA A 42 10.399 36.242 -24.343 1.00 0.00 H Missing atom added: HETATM 11 H2'2 DA A 42 13.664 34.216 -22.484 1.00 0.00 H Missing atom added: HETATM 27 H2' DA A 42 12.875 34.815 -20.747 1.00 0.00 H Missing atom added: HETATM 24 H5'2 DA A 43 10.544 31.357 -20.004 1.00 0.00 H Missing atom added: HETATM 11 H2'2 DA A 43 11.989 31.726 -16.004 1.00 0.00 H Missing atom added: HETATM 27 H2' DA A 43 10.431 32.924 -15.634 1.00 0.00 H Missing atom added: HETATM 24 H5'2 DA A 44 6.730 29.124 -15.165 1.00 0.00 H Missing atom added: HETATM 11 H2'2 DA A 44 3.362 30.109 -12.934 1.00 0.00 H Missing atom added: HETATM 27 H2' DA A 44 2.747 30.982 -14.624 1.00 0.00 H Missing atom added: HETATM 22 H5'2 DC A 45 0.845 28.148 -16.985 1.00 0.00 H Missing atom added: HETATM 11 H2'2 DC A 45 -1.630 27.928 -13.857 1.00 0.00 H Missing atom added: HETATM 25 H2' DC A 45 -2.573 28.808 -15.384 1.00 0.00 H Missing atom added: HETATM 22 H5'2 DT A 46 -4.777 25.994 -17.354 1.00 0.00 H Missing atom added: HETATM 25 H2' DT A 46 -8.099 25.237 -13.930 1.00 0.00 H Missing atom added: HETATM 26 H2'2 DT A 46 -7.706 26.568 -12.850 1.00 0.00 H Missing atom added: HETATM 28 H3 DT A 46 -10.139 21.615 -12.469 1.00 0.00 H Missing atom added: HETATM 19 C7 DT A 46 -5.741 20.827 -13.711 1.00 0.00 C Missing atom added: HETATM 30 H72 DT A 46 -5.934 19.874 -14.208 1.00 0.00 H Missing atom added: HETATM 29 H71 DT A 46 -5.412 20.634 -12.686 1.00 0.00 H Missing atom added: HETATM 31 H73 DT A 46 -4.948 21.353 -14.246 1.00 0.00 H Missing atom added: HETATM 22 H5'2 DT A 47 -6.221 29.902 -12.240 1.00 0.00 H Missing atom added: HETATM 25 H2' DT A 47 -3.539 30.834 -12.988 1.00 0.00 H Missing atom added: HETATM 26 H2'2 DT A 47 -3.204 32.496 -12.517 1.00 0.00 H Missing atom added: HETATM 28 H3 DT A 47 0.781 30.573 -8.655 1.00 0.00 H Missing atom added: HETATM 19 C7 DT A 47 -0.602 27.532 -11.805 1.00 0.00 C Missing atom added: HETATM 30 H72 DT A 47 -0.741 26.687 -11.133 1.00 0.00 H Missing atom added: HETATM 29 H71 DT A 47 0.399 27.494 -12.235 1.00 0.00 H Missing atom added: HETATM 31 H73 DT A 47 -1.341 27.487 -12.603 1.00 0.00 H Missing atom added: HETATM 22 H5'2 DC A 48 -6.120 36.232 -11.226 1.00 0.00 H Missing atom added: HETATM 11 H2'2 DC A 48 -4.758 38.668 -14.854 1.00 0.00 H Missing atom added: HETATM 25 H2' DC A 48 -5.836 37.520 -16.085 1.00 0.00 H Missing atom added: HETATM 24 H5'2 DA A 49 -10.077 37.794 -14.842 1.00 0.00 H Missing atom added: HETATM 11 H2'2 DA A 49 -10.658 38.118 -19.203 1.00 0.00 H Missing atom added: HETATM 27 H2' DA A 49 -11.083 36.165 -19.145 1.00 0.00 H Missing atom added: HETATM 22 H5'2 DT A 50 -15.392 37.750 -17.955 1.00 0.00 H Missing atom added: HETATM 25 H2' DT A 50 -14.091 33.751 -20.518 1.00 0.00 H Missing atom added: HETATM 26 H2'2 DT A 50 -15.672 33.692 -21.286 1.00 0.00 H Missing atom added: HETATM 28 H3 DT A 50 -12.217 30.205 -19.527 1.00 0.00 H Missing atom added: HETATM 19 C7 DT A 50 -12.408 32.938 -15.798 1.00 0.00 C Missing atom added: HETATM 30 H72 DT A 50 -11.410 32.671 -15.443 1.00 0.00 H Missing atom added: HETATM 29 H71 DT A 50 -13.146 32.303 -15.299 1.00 0.00 H Missing atom added: HETATM 31 H73 DT A 50 -12.609 33.981 -15.542 1.00 0.00 H Missing atom added: HETATM 22 H5'2 DT A 51 -20.150 34.333 -20.921 1.00 0.00 H Missing atom added: HETATM 25 H2' DT A 51 -17.813 30.061 -22.274 1.00 0.00 H Missing atom added: HETATM 26 H2'2 DT A 51 -19.294 29.506 -23.045 1.00 0.00 H Missing atom added: HETATM 28 H3 DT A 51 -15.766 27.210 -20.024 1.00 0.00 H Missing atom added: HETATM 19 C7 DT A 51 -15.840 31.043 -17.474 1.00 0.00 C Missing atom added: HETATM 30 H72 DT A 51 -14.772 31.076 -17.243 1.00 0.00 H Missing atom added: HETATM 29 H71 DT A 51 -16.361 30.518 -16.667 1.00 0.00 H Missing atom added: HETATM 31 H73 DT A 51 -16.221 32.065 -17.533 1.00 0.00 H Missing atom added: HETATM 22 H5'2 DT A 52 -22.930 27.737 -22.914 1.00 0.00 H Missing atom added: HETATM 25 H2' DT A 52 -20.832 23.879 -21.491 1.00 0.00 H Missing atom added: HETATM 26 H2'2 DT A 52 -22.452 23.225 -21.698 1.00 0.00 H Missing atom added: HETATM 28 H3 DT A 52 -18.275 23.895 -17.975 1.00 0.00 H Missing atom added: HETATM 19 C7 DT A 52 -19.463 28.270 -18.740 1.00 0.00 C Missing atom added: HETATM 30 H72 DT A 52 -18.455 28.680 -18.690 1.00 0.00 H Missing atom added: HETATM 29 H71 DT A 52 -19.937 28.351 -17.760 1.00 0.00 H Missing atom added: HETATM 31 H73 DT A 52 -20.046 28.833 -19.469 1.00 0.00 H Missing atom added: HETATM 22 H5'2 DC A 53 -26.529 24.306 -18.976 1.00 0.00 H Missing atom added: HETATM 11 H2'2 DC A 53 -23.975 20.583 -20.671 1.00 0.00 H Missing atom added: HETATM 25 H2' DC A 53 -23.632 19.924 -18.815 1.00 0.00 H Missing atom added: HETATM 22 H5'2 DT A 54 -28.821 18.845 -19.666 1.00 0.00 H Missing atom added: HETATM 25 H2' DT A 54 -27.313 16.248 -18.862 1.00 0.00 H Missing atom added: HETATM 26 H2'2 DT A 54 -28.054 15.507 -20.275 1.00 0.00 H Missing atom added: HETATM 28 H3 DT A 54 -29.272 17.190 -14.464 1.00 0.00 H Missing atom added: HETATM 19 C7 DT A 54 -25.372 14.771 -14.550 1.00 0.00 C Missing atom added: HETATM 30 H72 DT A 54 -25.792 13.794 -14.312 1.00 0.00 H Missing atom added: HETATM 29 H71 DT A 54 -25.041 15.255 -13.628 1.00 0.00 H Missing atom added: HETATM 31 H73 DT A 54 -24.515 14.642 -15.213 1.00 0.00 H Missing atom added: HETATM 22 H5'2 DC A 55 -32.026 14.678 -17.382 1.00 0.00 H Missing atom added: HETATM 11 H2'2 DC A 55 -30.429 10.145 -17.537 1.00 0.00 H Missing atom added: HETATM 25 H2' DC A 55 -31.314 10.445 -15.770 1.00 0.00 H Missing atom added: HETATM 22 H5'2 DT A 56 -35.920 11.446 -20.616 1.00 0.00 H Missing atom added: HETATM 25 H2' DT A 56 -33.022 11.731 -24.392 1.00 0.00 H Missing atom added: HETATM 26 H2'2 DT A 56 -34.179 10.580 -25.050 1.00 0.00 H Missing atom added: HETATM 28 H3 DT A 56 -29.601 9.461 -24.933 1.00 0.00 H Missing atom added: HETATM 19 C7 DT A 56 -28.689 12.252 -21.426 1.00 0.00 C Missing atom added: HETATM 30 H72 DT A 56 -27.857 12.835 -21.875 1.00 0.00 H Missing atom added: HETATM 29 H71 DT A 56 -28.217 11.428 -20.846 1.00 0.00 H Missing atom added: HETATM 31 H73 DT A 56 -29.171 12.920 -20.680 1.00 0.00 H Missing atom added: HETATM 22 H5'2 DT A 57 -37.102 7.892 -24.257 1.00 0.00 H Missing atom added: HETATM 25 H2' DT A 57 -35.207 5.851 -22.126 1.00 0.00 H Missing atom added: HETATM 26 H2'2 DT A 57 -34.659 4.221 -22.499 1.00 0.00 H Missing atom added: HETATM 28 H3 DT A 57 -29.347 4.958 -22.678 1.00 0.00 H Missing atom added: HETATM 19 C7 DT A 57 -31.516 8.637 -20.956 1.00 0.00 C Missing atom added: HETATM 30 H72 DT A 57 -30.878 9.424 -21.389 1.00 0.00 H Missing atom added: HETATM 29 H71 DT A 57 -31.129 8.411 -19.947 1.00 0.00 H Missing atom added: HETATM 31 H73 DT A 57 -32.528 9.056 -20.837 1.00 0.00 H Missing atom added: HETATM 22 H5'2 DT A 58 -34.609 1.555 -22.616 1.00 0.00 H Missing atom added: HETATM 25 H2' DT A 58 -31.526 0.611 -21.888 1.00 0.00 H Missing atom added: HETATM 26 H2'2 DT A 58 -31.787 -1.128 -21.929 1.00 0.00 H Missing atom added: HETATM 28 H3 DT A 58 -28.392 2.482 -19.561 1.00 0.00 H Missing atom added: HETATM 19 C7 DT A 58 -32.373 4.784 -19.018 1.00 0.00 C Missing atom added: HETATM 30 H72 DT A 58 -31.951 5.792 -19.098 1.00 0.00 H Missing atom added: HETATM 29 H71 DT A 58 -32.453 4.524 -17.954 1.00 0.00 H Missing atom added: HETATM 31 H73 DT A 58 -33.381 4.795 -19.447 1.00 0.00 H Missing atom added: HETATM 22 H5'2 DT A 59 -31.767 -2.835 -19.951 1.00 0.00 H Missing atom added: HETATM 25 H2' DT A 59 -28.138 -4.270 -20.213 1.00 0.00 H Missing atom added: HETATM 26 H2'2 DT A 59 -28.384 -5.895 -19.587 1.00 0.00 H Missing atom added: HETATM 28 H3 DT A 59 -25.014 -2.369 -18.380 1.00 0.00 H Missing atom added: HETATM 19 C7 DT A 59 -28.829 0.050 -17.710 1.00 0.00 C Missing atom added: HETATM 30 H72 DT A 59 -28.415 0.996 -18.047 1.00 0.00 H Missing atom added: HETATM 29 H71 DT A 59 -28.715 -0.038 -16.630 1.00 0.00 H Missing atom added: HETATM 31 H73 DT A 59 -29.883 -0.004 -17.971 1.00 0.00 H Missing atom added: HETATM 24 H5'2 DA A 60 -30.251 -7.019 -15.246 1.00 0.00 H Missing atom added: HETATM 11 H2'2 DA A 60 -25.793 -6.574 -15.428 1.00 0.00 H Missing atom added: HETATM 27 H2' DA A 60 -26.134 -5.264 -16.899 1.00 0.00 H Missing atom added: HETATM 25 H5'2 DG A 61 -24.919 -2.781 -14.309 1.00 0.00 H Missing atom added: HETATM 11 H2'2 DG A 61 -27.421 1.390 -13.548 1.00 0.00 H Missing atom added: HETATM 28 H2' DG A 61 -26.273 1.168 -11.927 1.00 0.00 H Missing atom added: HETATM 22 H5'2 DT A 62 -22.095 0.967 -15.675 1.00 0.00 H Missing atom added: HETATM 25 H2' DT A 62 -20.667 4.110 -14.252 1.00 0.00 H Missing atom added: HETATM 26 H2'2 DT A 62 -20.561 5.660 -15.077 1.00 0.00 H Missing atom added: HETATM 28 H3 DT A 62 -26.045 6.905 -13.043 1.00 0.00 H Missing atom added: HETATM 19 C7 DT A 62 -22.135 7.214 -10.729 1.00 0.00 C Missing atom added: HETATM 30 H72 DT A 62 -22.558 6.850 -9.794 1.00 0.00 H Missing atom added: HETATM 29 H71 DT A 62 -22.132 8.305 -10.728 1.00 0.00 H Missing atom added: HETATM 31 H73 DT A 62 -21.114 6.850 -10.833 1.00 0.00 H Missing atom added: HETATM 25 H5'2 DG A 63 -18.305 3.068 -18.156 1.00 0.00 H Missing atom added: HETATM 11 H2'2 DG A 63 -22.529 3.396 -20.612 1.00 0.00 H Missing atom added: HETATM 28 H2' DG A 63 -21.192 4.175 -21.878 1.00 0.00 H Missing atom added: HETATM 25 H5'2 DG A 64 -19.010 -0.162 -21.513 1.00 0.00 H Missing atom added: HETATM 11 H2'2 DG A 64 -22.499 -2.146 -20.100 1.00 0.00 H Missing atom added: HETATM 28 H2' DG A 64 -23.247 -0.445 -20.839 1.00 0.00 H Missing atom added: HETATM 22 H5'2 DT A 65 -24.887 -0.755 -23.470 1.00 0.00 H Missing atom added: HETATM 25 H2' DT A 65 -27.084 2.565 -24.237 1.00 0.00 H Missing atom added: HETATM 26 H2'2 DT A 65 -28.150 1.845 -25.436 1.00 0.00 H Missing atom added: HETATM 28 H3 DT A 65 -26.980 6.656 -23.962 1.00 0.00 H Missing atom added: HETATM 19 C7 DT A 65 -22.646 5.261 -24.643 1.00 0.00 C Missing atom added: HETATM 30 H72 DT A 65 -22.180 5.848 -23.845 1.00 0.00 H Missing atom added: HETATM 29 H71 DT A 65 -22.592 5.834 -25.577 1.00 0.00 H Missing atom added: HETATM 31 H73 DT A 65 -22.077 4.334 -24.772 1.00 0.00 H Missing atom added: HETATM 22 H5'2 DC A 66 -26.305 2.153 -28.857 1.00 0.00 H Missing atom added: HETATM 11 H2'2 DC A 66 -29.199 3.621 -30.531 1.00 0.00 H Missing atom added: HETATM 25 H2' DC A 66 -28.672 5.515 -30.168 1.00 0.00 H Missing atom added: HETATM 25 H5'2 DG A 67 -28.059 6.791 -33.971 1.00 0.00 H Missing atom added: HETATM 11 H2'2 DG A 67 -31.018 9.980 -33.011 1.00 0.00 H Missing atom added: HETATM 28 H2' DG A 67 -29.462 11.063 -32.376 1.00 0.00 H Missing atom added: HETATM 24 H5'2 DA A 68 -27.027 12.611 -33.827 1.00 0.00 H Missing atom added: HETATM 11 H2'2 DA A 68 -29.590 16.291 -33.327 1.00 0.00 H Missing atom added: HETATM 27 H2' DA A 68 -28.025 16.411 -32.089 1.00 0.00 H Missing atom added: HETATM 22 H5'2 DC A 69 -26.129 16.164 -31.988 1.00 0.00 H Missing atom added: HETATM 11 H2'2 DC A 69 -26.985 19.267 -28.873 1.00 0.00 H Missing atom added: HETATM 25 H2' DC A 69 -25.095 19.845 -28.574 1.00 0.00 H Missing atom added: HETATM 25 H5'2 DG A 70 -23.244 22.990 -30.065 1.00 0.00 H Missing atom added: HETATM 11 H2'2 DG A 70 -20.653 24.403 -27.246 1.00 0.00 H Missing atom added: HETATM 28 H2' DG A 70 -19.416 23.065 -28.067 1.00 0.00 H Missing atom added: HETATM 24 H5'2 DA A 71 -18.070 25.869 -30.383 1.00 0.00 H Missing atom added: HETATM 11 H2'2 DA A 71 -14.053 25.487 -28.474 1.00 0.00 H Missing atom added: HETATM 27 H2' DA A 71 -13.783 24.200 -29.980 1.00 0.00 H Missing atom added: HETATM 25 H5'2 DG A 72 -12.236 25.673 -32.944 1.00 0.00 H Missing atom added: HETATM 11 H2'2 DG A 72 -10.502 21.719 -34.305 1.00 0.00 H Missing atom added: HETATM 28 H2' DG A 72 -12.084 21.701 -35.528 1.00 0.00 H Missing atom added: HETATM 25 H5'2 DG A 73 -10.781 23.384 -38.458 1.00 0.00 H Missing atom added: HETATM 11 H2'2 DG A 73 -11.073 19.397 -39.732 1.00 0.00 H Missing atom added: HETATM 28 H2' DG A 73 -12.968 19.828 -40.200 1.00 0.00 H Missing atom added: HETATM 22 H5'2 DT A 74 -11.407 19.895 -43.641 1.00 0.00 H Missing atom added: HETATM 25 H2' DT A 74 -15.669 18.456 -44.318 1.00 0.00 H Missing atom added: HETATM 26 H2'2 DT A 74 -15.104 18.067 -45.938 1.00 0.00 H Missing atom added: HETATM 28 H3 DT A 74 -19.085 20.731 -42.065 1.00 0.00 H Missing atom added: HETATM 19 C7 DT A 74 -15.193 23.223 -42.014 1.00 0.00 C Missing atom added: HETATM 30 H72 DT A 74 -15.150 23.387 -40.936 1.00 0.00 H Missing atom added: HETATM 29 H71 DT A 74 -15.686 24.076 -42.488 1.00 0.00 H Missing atom added: HETATM 31 H73 DT A 74 -14.178 23.137 -42.404 1.00 0.00 H Missing atom added: HETATM 22 H5'2 DC A 75 -14.320 19.403 -49.216 1.00 0.00 H Missing atom added: HETATM 11 H2'2 DC A 75 -18.673 19.174 -49.726 1.00 0.00 H Missing atom added: HETATM 25 H2' DC A 75 -18.635 21.128 -49.304 1.00 0.00 H Missing atom added: HETATM 22 H5'2 DT A 76 -18.533 22.164 -53.472 1.00 0.00 H Missing atom added: HETATM 25 H2' DT A 76 -20.240 25.273 -50.129 1.00 0.00 H Missing atom added: HETATM 26 H2'2 DT A 76 -20.774 26.234 -51.503 1.00 0.00 H Missing atom added: HETATM 28 H3 DT A 76 -18.395 27.394 -47.021 1.00 0.00 H Missing atom added: HETATM 19 C7 DT A 76 -15.313 24.385 -48.578 1.00 0.00 C Missing atom added: HETATM 30 H72 DT A 76 -15.090 23.962 -47.593 1.00 0.00 H Missing atom added: HETATM 29 H71 DT A 76 -14.588 25.179 -48.791 1.00 0.00 H Missing atom added: HETATM 31 H73 DT A 76 -15.196 23.598 -49.330 1.00 0.00 H Missing atom added: HETATM 24 H5'2 DA A 77 -18.389 27.109 -53.170 1.00 0.00 H Missing atom added: HETATM 11 H2'2 DA A 77 -19.709 29.466 -55.966 1.00 0.00 H Missing atom added: HETATM 27 H2' DA A 77 -20.962 27.969 -55.532 1.00 0.00 H Missing atom added: HETATM 25 H5'2 DG A 78 -19.020 31.838 -51.742 1.00 0.00 H Missing atom added: HETATM 11 H2'2 DG A 78 -22.156 32.707 -48.849 1.00 0.00 H Missing atom added: HETATM 28 H2' DG A 78 -20.756 31.448 -48.175 1.00 0.00 H Missing atom added: HETATM 24 H5'2 DA A 79 -18.631 32.984 -45.461 1.00 0.00 H Missing atom added: HETATM 11 H2'2 DA A 79 -16.807 33.026 -43.404 1.00 0.00 H Missing atom added: HETATM 27 H2' DA A 79 -18.723 33.309 -42.912 1.00 0.00 H Missing atom added: HETATM 24 H5'2 DA A 80 -20.950 29.892 -41.370 1.00 0.00 H Missing atom added: HETATM 11 H2'2 DA A 80 -25.029 30.864 -42.718 1.00 0.00 H Missing atom added: HETATM 27 H2' DA A 80 -24.897 29.192 -43.806 1.00 0.00 H Missing atom added: HETATM 22 H5'2 DT A 81 -26.745 27.159 -41.344 1.00 0.00 H Missing atom added: HETATM 25 H2' DT A 81 -26.864 24.770 -45.389 1.00 0.00 H Missing atom added: HETATM 26 H2'2 DT A 81 -28.180 23.929 -44.580 1.00 0.00 H Missing atom added: HETATM 28 H3 DT A 81 -23.271 23.130 -47.226 1.00 0.00 H Missing atom added: HETATM 19 C7 DT A 81 -21.636 25.892 -43.978 1.00 0.00 C Missing atom added: HETATM 30 H72 DT A 81 -20.930 26.438 -44.610 1.00 0.00 H Missing atom added: HETATM 29 H71 DT A 81 -21.109 25.059 -43.500 1.00 0.00 H Missing atom added: HETATM 31 H73 DT A 81 -22.005 26.566 -43.199 1.00 0.00 H Missing atom added: HETATM 24 H5'2 DA A 82 -28.731 20.963 -42.441 1.00 0.00 H Missing atom added: HETATM 11 H2'2 DA A 82 -26.121 18.139 -45.102 1.00 0.00 H Missing atom added: HETATM 27 H2' DA A 82 -24.637 18.524 -43.819 1.00 0.00 H Missing atom added: HETATM 22 H5'2 DC A 83 -24.041 16.866 -40.573 1.00 0.00 H Missing atom added: HETATM 11 H2'2 DC A 83 -20.769 15.924 -42.528 1.00 0.00 H Missing atom added: HETATM 25 H2' DC A 83 -20.165 16.945 -40.919 1.00 0.00 H Missing atom added: HETATM 22 H5'2 DC A 84 -20.341 13.236 -37.511 1.00 0.00 H Missing atom added: HETATM 11 H2'2 DC A 84 -17.246 12.793 -37.666 1.00 0.00 H Missing atom added: HETATM 25 H2' DC A 84 -17.337 14.372 -36.443 1.00 0.00 H Missing atom added: HETATM 24 H5'2 DA A 85 -16.972 10.092 -34.004 1.00 0.00 H Missing atom added: HETATM 11 H2'2 DA A 85 -12.417 10.942 -34.762 1.00 0.00 H Missing atom added: HETATM 27 H2' DA A 85 -12.501 12.359 -33.354 1.00 0.00 H Missing atom added: HETATM 25 H5'2 DG A 86 -11.265 9.921 -30.570 1.00 0.00 H Missing atom added: HETATM 11 H2'2 DG A 86 -7.934 12.587 -29.646 1.00 0.00 H Missing atom added: HETATM 28 H2' DG A 86 -9.216 13.710 -28.601 1.00 0.00 H Number of atoms: 2725 Number of residues: 86 Building intraresidual bonds... Warning: Bond expected, but some of the atoms are missing: P OP2, residue No. A 1 Warning: Bond expected, but some of the atoms are missing: P OP1, residue No. A 1 Building intraresidual angles... Warning: Angle expected, but some of the atoms are missing: OP2 P O5', residue No. A 1 Warning: Angle expected, but some of the atoms are missing: OP1 P O5', residue No. A 1 Warning: Angle expected, but some of the atoms are missing: OP1 P OP2, residue No. A 1 Building intraresidual dihedrals... Warning: Dihedral expected, but some of the atoms are missing: OP2 P O5' C5', residue No. A 1 Warning: Dihedral expected, but some of the atoms are missing: OP1 P O5' C5', residue No. A 1 Building intraresidual impropers... Building interresidual bonds... Building interresidual angles... Internal Warning: unknown atoms in angle: H5 C2 N* Internal Warning: unknown atoms in angle: H5 C2 NB Internal Warning: unknown atoms in angle: N* C2 NB Internal Warning: unknown atoms in angle: CB N* C2 Internal Warning: unknown atoms in angle: C2 N* CT Internal Warning: unknown atoms in angle: CB NB C2 Internal Warning: unknown atoms in angle: C1 C NA Internal Warning: unknown atoms in angle: C1 C O Internal Warning: unknown atoms in angle: C1 CA N2 Internal Warning: unknown atoms in angle: C1 CA NC Internal Warning: unknown atoms in angle: C C1 C1 Internal Warning: unknown atoms in angle: C C1 CT Internal Warning: unknown atoms in angle: C C1 HA Internal Warning: unknown atoms in angle: C C1 H4 Internal Warning: unknown atoms in angle: CA C1 C1 Internal Warning: unknown atoms in angle: CA C1 HA Internal Warning: unknown atoms in angle: CA C1 H4 Internal Warning: unknown atoms in angle: C1 C1 CT Internal Warning: unknown atoms in angle: C1 C1 HA Internal Warning: unknown atoms in angle: C1 C1 H4 Internal Warning: unknown atoms in angle: C1 C1 N* Internal Warning: unknown atoms in angle: H4 C1 N* Internal Warning: unknown atoms in angle: H1 CT C1 Internal Warning: unknown atoms in angle: HC CT C1 Internal Warning: unknown atoms in angle: C N* C1 Internal Warning: unknown atoms in angle: C1 N* CT Building interresidual dihedrals... Internal Warning: unknown atom(s) in dihedral: X C2 N* X Internal Warning: unknown atom(s) in dihedral: X C2 NB X Internal Warning: unknown atom(s) in dihedral: X C C1 X Internal Warning: unknown atom(s) in dihedral: X CA C1 X Internal Warning: unknown atom(s) in dihedral: X C1 C1 X Internal Warning: unknown atom(s) in dihedral: X C1 CT X Internal Warning: unknown atom(s) in dihedral: X C1 N* X Internal Warning: unknown atom(s) in dihedral: HC CT C1 C1 Internal Warning: unknown atom(s) in dihedral: HC CT C1 C1 Internal Warning: unknown atom(s) in dihedral: C1 C1 C O Internal Warning: unknown atom(s) in dihedral: C1 C1 C O Internal Warning: unknown atom(s) in dihedral: OS CT N* C2 Internal Warning: unknown atom(s) in dihedral: OS CT N* C2 Internal Warning: unknown atom(s) in dihedral: OS CT N* C2 Internal Warning: unknown atom(s) in dihedral: OS CT N* C1 Internal Warning: unknown atom(s) in dihedral: OS CT N* C1 Internal Warning: unknown atom(s) in dihedral: OS CT N* C1 Internal Warning: unknown atom(s) in dihedral: OS CT N* C1 Number of bonds built: 2939 Number of angles built: 5341 Number of dihedrals built: 7975 Number of impropers built: 574 ----------------------------------------------------------------------------- End of molecule (chain) ----------------------------------------------------------------------------- ----------------------------------------------------------------------------- Building interresidual nonbonded pairs & H-bonds (it may take a while)... Number of electrostatic pairs: 3703170 Number of van der Waals pairs: 333647 Number of H-bonds built: 37 Number of spring restraints: 0 Number of positional restraints: 0 Number of base pairs built: 5 Number of molecules (chains) read: 1 ----------------------------------------------------------------------------- Performing minimization step: 1. Total energy = 229310.9778 kcal/mol (228696.9293 without restraints) Performing minimization step: 2. Total energy = 224259.5446 kcal/mol (223672.0215 without restraints) Performing minimization step: 3. Total energy = 219425.5595 kcal/mol (218862.8598 without restraints) Performing minimization step: 4. Total energy = 214795.2049 kcal/mol (214255.7671 without restraints) Performing minimization step: 5. Total energy = 210355.7918 kcal/mol (209838.1804 without restraints) Performing minimization step: 6. Total energy = 206095.6470 kcal/mol (205598.5405 without restraints) Performing minimization step: 7. Total energy = 202004.0151 kcal/mol (201526.1949 without restraints) Performing minimization step: 8. Total energy = 198070.9708 kcal/mol (197611.3115 without restraints) Performing minimization step: 9. Total energy = 194287.3414 kcal/mol (193844.8020 without restraints) Performing minimization step: 10. Total energy = 190644.6369 kcal/mol (190218.2535 without restraints) Performing minimization step: 11. Total energy = 187134.9891 kcal/mol (186723.8674 without restraints) Performing minimization step: 12. Total energy = 183751.0960 kcal/mol (183354.4059 without restraints) Performing minimization step: 13. Total energy = 180486.1726 kcal/mol (180103.1419 without restraints) Performing minimization step: 14. Total energy = 177333.9065 kcal/mol (176963.8167 without restraints) Performing minimization step: 15. Total energy = 174288.4187 kcal/mol (173930.6001 without restraints) Performing minimization step: 16. Total energy = 171344.2272 kcal/mol (170998.0549 without restraints) Performing minimization step: 17. Total energy = 168496.2149 kcal/mol (168161.1053 without restraints) Performing minimization step: 18. Total energy = 165739.6003 kcal/mol (165415.0080 without restraints) Performing minimization step: 19. Total energy = 163069.9110 kcal/mol (162755.3253 without restraints) Performing minimization step: 20. Total energy = 160482.9603 kcal/mol (160177.9031 without restraints) Performing minimization step: 21. Total energy = 157974.8241 kcal/mol (157678.8471 without restraints) Performing minimization step: 22. Total energy = 155541.8227 kcal/mol (155254.5052 without restraints) Performing minimization step: 23. Total energy = 153180.5012 kcal/mol (152901.4481 without restraints) Performing minimization step: 24. Total energy = 150887.6137 kcal/mol (150616.4537 without restraints) Performing minimization step: 25. Total energy = 148660.1082 kcal/mol (148396.4919 without restraints) Performing minimization step: 26. Total energy = 146495.1125 kcal/mol (146238.7111 without restraints) Performing minimization step: 27. Total energy = 144389.9216 kcal/mol (144140.4253 without restraints) Performing minimization step: 28. Total energy = 142341.9863 kcal/mol (142099.1029 without restraints) Performing minimization step: 29. Total energy = 140348.9022 kcal/mol (140112.3561 without restraints) Performing minimization step: 30. Total energy = 138408.4000 kcal/mol (138177.9310 without restraints) Performing minimization step: 31. Total energy = 136518.3359 kcal/mol (136293.6980 without restraints) Performing minimization step: 32. Total energy = 134676.6841 kcal/mol (134457.6451 without restraints) Performing minimization step: 33. Total energy = 132881.5288 kcal/mol (132667.8685 without restraints) Performing minimization step: 34. Total energy = 131131.0565 kcal/mol (130922.5668 without restraints) Performing minimization step: 35. Total energy = 129423.5501 kcal/mol (129220.0337 without restraints) Performing minimization step: 36. Total energy = 127757.3822 kcal/mol (127558.6523 without restraints) Performing minimization step: 37. Total energy = 126131.0101 kcal/mol (125936.8892 without restraints) Performing minimization step: 38. Total energy = 124542.9701 kcal/mol (124353.2899 without restraints) Performing minimization step: 39. Total energy = 122991.8718 kcal/mol (122806.4726 without restraints) Performing minimization step: 40. Total energy = 121476.3957 kcal/mol (121295.1255 without restraints) Performing minimization step: 41. Total energy = 119995.2868 kcal/mol (119818.0013 without restraints) Performing minimization step: 42. Total energy = 118547.3522 kcal/mol (118373.9140 without restraints) Performing minimization step: 43. Total energy = 117131.4563 kcal/mol (116961.7348 without restraints) Performing minimization step: 44. Total energy = 115746.5186 kcal/mol (115580.3894 without restraints) Performing minimization step: 45. Total energy = 114391.5089 kcal/mol (114228.8530 without restraints) Performing minimization step: 46. Total energy = 113065.4458 kcal/mol (112906.1503 without restraints) Performing minimization step: 47. Total energy = 111767.3934 kcal/mol (111611.3504 without restraints) Performing minimization step: 48. Total energy = 110496.4589 kcal/mol (110343.5655 without restraints) Performing minimization step: 49. Total energy = 109251.7893 kcal/mol (109101.9472 without restraints) Performing minimization step: 50. Total energy = 108032.5706 kcal/mol (107885.6858 without restraints) Performing minimization step: 51. Total energy = 106838.0244 kcal/mol (106694.0071 without restraints) Performing minimization step: 52. Total energy = 105667.4067 kcal/mol (105526.1710 without restraints) Performing minimization step: 53. Total energy = 104520.0055 kcal/mol (104381.4692 without restraints) Performing minimization step: 54. Total energy = 103395.1394 kcal/mol (103259.2238 without restraints) Performing minimization step: 55. Total energy = 102292.1561 kcal/mol (102158.7859 without restraints) Performing minimization step: 56. Total energy = 101210.4300 kcal/mol (101079.5329 without restraints) Performing minimization step: 57. Total energy = 100149.3619 kcal/mol (100020.8687 without restraints) Performing minimization step: 58. Total energy = 99108.3770 kcal/mol (98982.2212 without restraints) Performing minimization step: 59. Total energy = 98086.9237 kcal/mol (97963.0415 without restraints) Performing minimization step: 60. Total energy = 97084.4722 kcal/mol (96962.8024 without restraints) Performing minimization step: 61. Total energy = 96100.5143 kcal/mol (95980.9981 without restraints) Performing minimization step: 62. Total energy = 95134.5610 kcal/mol (95017.1418 without restraints) Performing minimization step: 63. Total energy = 94186.1422 kcal/mol (94070.7655 without restraints) Performing minimization step: 64. Total energy = 93254.8060 kcal/mol (93141.4196 without restraints) Performing minimization step: 65. Total energy = 92340.1173 kcal/mol (92228.6707 without restraints) Performing minimization step: 66. Total energy = 91441.6567 kcal/mol (91332.1016 without restraints) Performing minimization step: 67. Total energy = 90559.0220 kcal/mol (90451.3115 without restraints) Performing minimization step: 68. Total energy = 89691.8236 kcal/mol (89585.9127 without restraints) Performing minimization step: 69. Total energy = 88839.6866 kcal/mol (88735.5318 without restraints) Performing minimization step: 70. Total energy = 88002.2494 kcal/mol (87899.8088 without restraints) Performing minimization step: 71. Total energy = 87179.1630 kcal/mol (87078.3961 without restraints) Performing minimization step: 72. Total energy = 86370.0904 kcal/mol (86270.9582 without restraints) Performing minimization step: 73. Total energy = 85574.7065 kcal/mol (85477.1712 without restraints) Performing minimization step: 74. Total energy = 84792.6964 kcal/mol (84696.7216 without restraints) Performing minimization step: 75. Total energy = 84023.7562 kcal/mol (83929.3065 without restraints) Performing minimization step: 76. Total energy = 83267.5918 kcal/mol (83174.6330 without restraints) Performing minimization step: 77. Total energy = 82523.9187 kcal/mol (82432.4179 without restraints) Performing minimization step: 78. Total energy = 81792.4617 kcal/mol (81702.3868 without restraints) Performing minimization step: 79. Total energy = 81072.9540 kcal/mol (80984.2742 without restraints) Performing minimization step: 80. Total energy = 80365.1376 kcal/mol (80277.8228 without restraints) Performing minimization step: 81. Total energy = 79668.7617 kcal/mol (79582.7827 without restraints) Performing minimization step: 82. Total energy = 78983.5835 kcal/mol (78898.9122 without restraints) Performing minimization step: 83. Total energy = 78309.3680 kcal/mol (78225.9771 without restraints) Performing minimization step: 84. Total energy = 77645.8868 kcal/mol (77563.7496 without restraints) Performing minimization step: 85. Total energy = 76992.9180 kcal/mol (76912.0088 without restraints) Performing minimization step: 86. Total energy = 76350.2462 kcal/mol (76270.5400 without restraints) Performing minimization step: 87. Total energy = 75717.6629 kcal/mol (75639.1354 without restraints) Performing minimization step: 88. Total energy = 75094.9645 kcal/mol (75017.5919 without restraints) Performing minimization step: 89. Total energy = 74481.9535 kcal/mol (74405.7129 without restraints) Performing minimization step: 90. Total energy = 73878.4379 kcal/mol (73803.3071 without restraints) Performing minimization step: 91. Total energy = 73284.2311 kcal/mol (73210.1882 without restraints) Performing minimization step: 92. Total energy = 72699.1511 kcal/mol (72626.1749 without restraints) Performing minimization step: 93. Total energy = 72123.0216 kcal/mol (72051.0916 without restraints) Performing minimization step: 94. Total energy = 71555.6700 kcal/mol (71484.7661 without restraints) Performing minimization step: 95. Total energy = 70996.9284 kcal/mol (70927.0310 without restraints) Performing minimization step: 96. Total energy = 70446.6336 kcal/mol (70377.7239 without restraints) Performing minimization step: 97. Total energy = 69904.6266 kcal/mol (69836.6858 without restraints) Performing minimization step: 98. Total energy = 69370.7516 kcal/mol (69303.7617 without restraints) Performing minimization step: 99. Total energy = 68844.8579 kcal/mol (68778.8013 without restraints) Performing minimization step: 100. Total energy = 68326.7972 kcal/mol (68261.6566 without restraints) Writing PDB file: /home/ubuntu/rna-tools/rna_tools/tools/webserver-engine/media/jobs/234f02c2/tmp/C8MA1_refx/C8MA1_refx.pdb ...Done. Performing minimization step: 101. Total energy = 67816.4260 kcal/mol (67752.1846 without restraints) Performing minimization step: 102. Total energy = 67313.6036 kcal/mol (67250.2451 without restraints) Performing minimization step: 103. Total energy = 66818.1929 kcal/mol (66755.7013 without restraints) Performing minimization step: 104. Total energy = 66330.0599 kcal/mol (66268.4195 without restraints) Performing minimization step: 105. Total energy = 65849.0736 kcal/mol (65788.2692 without restraints) Performing minimization step: 106. Total energy = 65375.1065 kcal/mol (65315.1232 without restraints) Performing minimization step: 107. Total energy = 64908.0339 kcal/mol (64848.8571 without restraints) Performing minimization step: 108. Total energy = 64447.7335 kcal/mol (64389.3490 without restraints) Performing minimization step: 109. Total energy = 63994.0862 kcal/mol (63936.4800 without restraints) Performing minimization step: 110. Total energy = 63546.9753 kcal/mol (63490.1339 without restraints) Performing minimization step: 111. Total energy = 63106.2869 kcal/mol (63050.1969 without restraints) Performing minimization step: 112. Total energy = 62671.9092 kcal/mol (62616.5577 without restraints) Performing minimization step: 113. Total energy = 62243.7332 kcal/mol (62189.1073 without restraints) Performing minimization step: 114. Total energy = 61821.6521 kcal/mol (61767.7395 without restraints) Performing minimization step: 115. Total energy = 61405.5615 kcal/mol (61352.3498 without restraints) Performing minimization step: 116. Total energy = 60995.3590 kcal/mol (60942.8364 without restraints) Performing minimization step: 117. Total energy = 60590.9445 kcal/mol (60539.0993 without restraints) Performing minimization step: 118. Total energy = 60192.2198 kcal/mol (60141.0405 without restraints) Performing minimization step: 119. Total energy = 59799.0889 kcal/mol (59748.5643 without restraints) Performing minimization step: 120. Total energy = 59411.4581 kcal/mol (59361.5772 without restraints) Performing minimization step: 121. Total energy = 59029.2346 kcal/mol (58979.9866 without restraints) Performing minimization step: 122. Total energy = 58652.3283 kcal/mol (58603.7027 without restraints) Performing minimization step: 123. Total energy = 58280.6507 kcal/mol (58232.6371 without restraints) Performing minimization step: 124. Total energy = 57914.1149 kcal/mol (57866.7031 without restraints) Performing minimization step: 125. Total energy = 57552.6360 kcal/mol (57505.8163 without restraints) Performing minimization step: 126. Total energy = 57196.1307 kcal/mol (57149.8932 without restraints) Performing minimization step: 127. Total energy = 56844.5171 kcal/mol (56798.8522 without restraints) Performing minimization step: 128. Total energy = 56497.7152 kcal/mol (56452.6137 without restraints) Performing minimization step: 129. Total energy = 56155.6462 kcal/mol (56111.0988 without restraints) Performing minimization step: 130. Total energy = 55818.2328 kcal/mol (55774.2304 without restraints) Performing minimization step: 131. Total energy = 55485.3994 kcal/mol (55441.9332 without restraints) Performing minimization step: 132. Total energy = 55157.0718 kcal/mol (55114.1331 without restraints) Performing minimization step: 133. Total energy = 54833.1770 kcal/mol (54790.7573 without restraints) Performing minimization step: 134. Total energy = 54513.6436 kcal/mol (54471.7346 without restraints) Performing minimization step: 135. Total energy = 54198.4013 kcal/mol (54156.9948 without restraints) Performing minimization step: 136. Total energy = 53887.3814 kcal/mol (53846.4692 without restraints) Performing minimization step: 137. Total energy = 53580.5161 kcal/mol (53540.0904 without restraints) Performing minimization step: 138. Total energy = 53277.7387 kcal/mol (53237.7916 without restraints) Performing minimization step: 139. Total energy = 52978.9846 kcal/mol (52939.5087 without restraints) Performing minimization step: 140. Total energy = 52684.1897 kcal/mol (52645.1774 without restraints) Performing minimization step: 141. Total energy = 52393.2909 kcal/mol (52354.7348 without restraints) Performing minimization step: 142. Total energy = 52106.2267 kcal/mol (52068.1196 without restraints) Performing minimization step: 143. Total energy = 51822.9363 kcal/mol (51785.2712 without restraints) Performing minimization step: 144. Total energy = 51543.3598 kcal/mol (51506.1296 without restraints) Performing minimization step: 145. Total energy = 51267.4391 kcal/mol (51230.6370 without restraints) Performing minimization step: 146. Total energy = 50995.1166 kcal/mol (50958.7359 without restraints) Performing minimization step: 147. Total energy = 50726.3355 kcal/mol (50690.3695 without restraints) Performing minimization step: 148. Total energy = 50461.0409 kcal/mol (50425.4834 without restraints) Performing minimization step: 149. Total energy = 50199.1781 kcal/mol (50164.0225 without restraints) Performing minimization step: 150. Total energy = 49940.6934 kcal/mol (49905.9334 without restraints) Performing minimization step: 151. Total energy = 49685.5341 kcal/mol (49651.1636 without restraints) Performing minimization step: 152. Total energy = 49433.6485 kcal/mol (49399.6614 without restraints) Performing minimization step: 153. Total energy = 49184.9856 kcal/mol (49151.3759 without restraints) Performing minimization step: 154. Total energy = 48939.4955 kcal/mol (48906.2575 without restraints) Performing minimization step: 155. Total energy = 48697.1291 kcal/mol (48664.2569 without restraints) Performing minimization step: 156. Total energy = 48457.8380 kcal/mol (48425.3260 without restraints) Performing minimization step: 157. Total energy = 48221.5746 kcal/mol (48189.4173 without restraints) Performing minimization step: 158. Total energy = 47988.2923 kcal/mol (47956.4842 without restraints) Performing minimization step: 159. Total energy = 47757.9452 kcal/mol (47726.4809 without restraints) Performing minimization step: 160. Total energy = 47530.4881 kcal/mol (47499.3623 without restraints) Performing minimization step: 161. Total energy = 47305.8767 kcal/mol (47275.0842 without restraints) Performing minimization step: 162. Total energy = 47084.0670 kcal/mol (47053.6028 without restraints) Performing minimization step: 163. Total energy = 46865.0162 kcal/mol (46834.8751 without restraints) Performing minimization step: 164. Total energy = 46648.6823 kcal/mol (46618.8595 without restraints) Performing minimization step: 165. Total energy = 46435.0241 kcal/mol (46405.5146 without restraints) Performing minimization step: 166. Total energy = 46223.9994 kcal/mol (46194.7986 without restraints) Performing minimization step: 167. Total energy = 46015.5696 kcal/mol (45986.6728 without restraints) Performing minimization step: 168. Total energy = 45809.6941 kcal/mol (45781.0964 without restraints) Performing minimization step: 169. Total energy = 45606.3343 kcal/mol (45578.0314 without restraints) Performing minimization step: 170. Total energy = 45405.4520 kcal/mol (45377.4392 without restraints) Performing minimization step: 171. Total energy = 45207.0096 kcal/mol (45179.2827 without restraints) Performing minimization step: 172. Total energy = 45010.9705 kcal/mol (44983.5252 without restraints) Performing minimization step: 173. Total energy = 44817.2977 kcal/mol (44790.1297 without restraints) Performing minimization step: 174. Total energy = 44625.9559 kcal/mol (44599.0610 without restraints) Performing minimization step: 175. Total energy = 44436.9094 kcal/mol (44410.2833 without restraints) Performing minimization step: 176. Total energy = 44250.1235 kcal/mol (44223.7624 without restraints) Performing minimization step: 177. Total energy = 44065.5642 kcal/mol (44039.4639 without restraints) Performing minimization step: 178. Total energy = 43883.1988 kcal/mol (43857.3554 without restraints) Performing minimization step: 179. Total energy = 43702.9929 kcal/mol (43677.4026 without restraints) Performing minimization step: 180. Total energy = 43524.9147 kcal/mol (43499.5738 without restraints) Performing minimization step: 181. Total energy = 43348.9323 kcal/mol (43323.8369 without restraints) Performing minimization step: 182. Total energy = 43175.0138 kcal/mol (43150.1602 without restraints) Performing minimization step: 183. Total energy = 43003.1287 kcal/mol (42978.5134 without restraints) Performing minimization step: 184. Total energy = 42833.2462 kcal/mol (42808.8656 without restraints) Performing minimization step: 185. Total energy = 42665.3369 kcal/mol (42641.1876 without restraints) Performing minimization step: 186. Total energy = 42499.3711 kcal/mol (42475.4494 without restraints) Performing minimization step: 187. Total energy = 42335.3195 kcal/mol (42311.6221 without restraints) Killed /home/ubuntu/rna-tools//opt/qrnas/ Save to C8MA1_refx.pdb DONE!