============================================================================= Reading config file: /home/ubuntu/rna-tools/rna_tools/tools/webserver-engine/media/jobs/b826130c/tmp/C15MA2_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/b826130c/tmp/C15MA2_refx/C15MA2.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 732 C5M DT A 24 ... failed. Atom erased. Error: recognition of atom ATOM 736 HN3 DT A 24 ... failed. Atom erased. Error: recognition of atom ATOM 737 1HM5 DT A 24 ... failed. Atom erased. Error: recognition of atom ATOM 738 2HM5 DT A 24 ... failed. Atom erased. Error: recognition of atom ATOM 739 3HM5 DT A 24 ... failed. Atom erased. Error: recognition of atom ATOM 767 'H5' DG A 25 ... failed. Atom erased. Error: recognition of atom ATOM 771 1H2' DG A 25 ... failed. Atom erased. Error: recognition of atom ATOM 772 2H2' DG A 25 ... failed. Atom erased. Error: recognition of atom ATOM 794 C5M DT A 26 ... failed. Atom erased. Error: recognition of atom ATOM 798 HN3 DT A 26 ... failed. Atom erased. Error: recognition of atom ATOM 799 1HM5 DT A 26 ... failed. Atom erased. Error: recognition of atom ATOM 800 2HM5 DT A 26 ... failed. Atom erased. Error: recognition of atom ATOM 801 3HM5 DT A 26 ... failed. Atom erased. Error: recognition of atom ATOM 829 'H5' DG A 27 ... failed. Atom erased. Error: recognition of atom ATOM 833 1H2' DG A 27 ... failed. Atom erased. Error: recognition of atom ATOM 834 2H2' DG A 27 ... failed. Atom erased. Error: recognition of atom ATOM 862 'H5' DG A 28 ... failed. Atom erased. Error: recognition of atom ATOM 866 1H2' DG A 28 ... failed. Atom erased. Error: recognition of atom ATOM 867 2H2' DG A 28 ... failed. Atom erased. Error: recognition of atom ATOM 889 C5M DT A 29 ... failed. Atom erased. Error: recognition of atom ATOM 893 HN3 DT A 29 ... failed. Atom erased. Error: recognition of atom ATOM 894 1HM5 DT A 29 ... failed. Atom erased. Error: recognition of atom ATOM 895 2HM5 DT A 29 ... failed. Atom erased. Error: recognition of atom ATOM 896 3HM5 DT A 29 ... failed. Atom erased. Error: recognition of atom ATOM 923 'H5' DA A 30 ... failed. Atom erased. Error: recognition of atom ATOM 927 1H2' DA A 30 ... failed. Atom erased. Error: recognition of atom ATOM 928 2H2' DA A 30 ... failed. Atom erased. Error: recognition of atom ATOM 953 'H5' DC A 31 ... failed. Atom erased. Error: recognition of atom ATOM 957 1H2' DC A 31 ... failed. Atom erased. Error: recognition of atom ATOM 958 2H2' DC A 31 ... failed. Atom erased. Error: recognition of atom ATOM 986 'H5' DG A 32 ... failed. Atom erased. Error: recognition of atom ATOM 990 1H2' DG A 32 ... failed. Atom erased. Error: recognition of atom ATOM 991 2H2' DG A 32 ... failed. Atom erased. Error: recognition of atom ATOM 1016 'H5' DC A 33 ... failed. Atom erased. Error: recognition of atom ATOM 1020 1H2' DC A 33 ... failed. Atom erased. Error: recognition of atom ATOM 1021 2H2' DC A 33 ... failed. Atom erased. Error: recognition of atom ATOM 1048 'H5' DA A 34 ... failed. Atom erased. Error: recognition of atom ATOM 1052 1H2' DA A 34 ... failed. Atom erased. Error: recognition of atom ATOM 1053 2H2' DA A 34 ... failed. Atom erased. Error: recognition of atom ATOM 1075 C5M DT A 35 ... failed. Atom erased. Error: recognition of atom ATOM 1079 HN3 DT A 35 ... failed. Atom erased. Error: recognition of atom ATOM 1080 1HM5 DT A 35 ... failed. Atom erased. Error: recognition of atom ATOM 1081 2HM5 DT A 35 ... failed. Atom erased. Error: recognition of atom ATOM 1082 3HM5 DT A 35 ... failed. Atom erased. Error: recognition of atom ATOM 1107 'H5' DC A 36 ... failed. Atom erased. Error: recognition of atom ATOM 1111 1H2' DC A 36 ... failed. Atom erased. Error: recognition of atom ATOM 1112 2H2' DC A 36 ... failed. Atom erased. Error: recognition of atom ATOM 1137 'H5' DC A 37 ... failed. Atom erased. Error: recognition of atom ATOM 1141 1H2' DC A 37 ... failed. Atom erased. Error: recognition of atom ATOM 1142 2H2' DC A 37 ... failed. Atom erased. Error: recognition of atom ATOM 1170 'H5' DG A 38 ... failed. Atom erased. Error: recognition of atom ATOM 1174 1H2' DG A 38 ... failed. Atom erased. Error: recognition of atom ATOM 1175 2H2' DG A 38 ... failed. Atom erased. Error: recognition of atom ATOM 1197 C5M DT A 39 ... failed. Atom erased. Error: recognition of atom ATOM 1201 HN3 DT A 39 ... failed. Atom erased. Error: recognition of atom ATOM 1202 1HM5 DT A 39 ... failed. Atom erased. Error: recognition of atom ATOM 1203 2HM5 DT A 39 ... failed. Atom erased. Error: recognition of atom ATOM 1204 3HM5 DT A 39 ... failed. Atom erased. Error: recognition of atom ATOM 1231 'H5' DA A 40 ... failed. Atom erased. Error: recognition of atom ATOM 1235 1H2' DA A 40 ... failed. Atom erased. Error: recognition of atom ATOM 1236 2H2' DA A 40 ... failed. Atom erased. Error: recognition of atom ATOM 1263 'H5' DA A 41 ... failed. Atom erased. Error: recognition of atom ATOM 1267 1H2' DA A 41 ... failed. Atom erased. Error: recognition of atom ATOM 1268 2H2' DA A 41 ... failed. Atom erased. Error: recognition of atom ATOM 1293 'H5' DC A 42 ... failed. Atom erased. Error: recognition of atom ATOM 1297 1H2' DC A 42 ... failed. Atom erased. Error: recognition of atom ATOM 1298 2H2' DC A 42 ... failed. Atom erased. Error: recognition of atom ATOM 1325 'H5' DA A 43 ... failed. Atom erased. Error: recognition of atom ATOM 1329 1H2' DA A 43 ... failed. Atom erased. Error: recognition of atom ATOM 1330 2H2' DA A 43 ... failed. Atom erased. Error: recognition of atom ATOM 1352 C5M DT A 44 ... failed. Atom erased. Error: recognition of atom ATOM 1356 HN3 DT A 44 ... failed. Atom erased. Error: recognition of atom ATOM 1357 1HM5 DT A 44 ... failed. Atom erased. Error: recognition of atom ATOM 1358 2HM5 DT A 44 ... failed. Atom erased. Error: recognition of atom ATOM 1359 3HM5 DT A 44 ... failed. Atom erased. Error: recognition of atom ATOM 1387 'H5' DG A 45 ... failed. Atom erased. Error: recognition of atom ATOM 1391 1H2' DG A 45 ... failed. Atom erased. Error: recognition of atom ATOM 1392 2H2' DG A 45 ... failed. Atom erased. Error: recognition of atom ATOM 1417 'H5' DC A 46 ... failed. Atom erased. Error: recognition of atom ATOM 1421 1H2' DC A 46 ... failed. Atom erased. Error: recognition of atom ATOM 1422 2H2' DC A 46 ... failed. Atom erased. Error: recognition of atom ATOM 1444 C5M DT A 47 ... failed. Atom erased. Error: recognition of atom ATOM 1448 HN3 DT A 47 ... failed. Atom erased. Error: recognition of atom ATOM 1449 1HM5 DT A 47 ... failed. Atom erased. Error: recognition of atom ATOM 1450 2HM5 DT A 47 ... failed. Atom erased. Error: recognition of atom ATOM 1451 3HM5 DT A 47 ... failed. Atom erased. Error: recognition of atom ATOM 1476 'H5' DC A 48 ... failed. Atom erased. Error: recognition of atom ATOM 1480 1H2' DC A 48 ... failed. Atom erased. Error: recognition of atom ATOM 1481 2H2' DC A 48 ... failed. Atom erased. Error: recognition of atom ATOM 1506 'H5' DC A 49 ... failed. Atom erased. Error: recognition of atom ATOM 1510 1H2' DC A 49 ... failed. Atom erased. Error: recognition of atom ATOM 1511 2H2' DC A 49 ... failed. Atom erased. Error: recognition of atom ATOM 1538 'H5' DA A 50 ... failed. Atom erased. Error: recognition of atom ATOM 1542 1H2' DA A 50 ... failed. Atom erased. Error: recognition of atom ATOM 1543 2H2' DA A 50 ... failed. Atom erased. Error: recognition of atom ATOM 1571 'H5' DG A 51 ... failed. Atom erased. Error: recognition of atom ATOM 1575 1H2' DG A 51 ... failed. Atom erased. Error: recognition of atom ATOM 1576 2H2' DG A 51 ... failed. Atom erased. Error: recognition of atom ATOM 1601 'H5' DC A 52 ... failed. Atom erased. Error: recognition of atom ATOM 1605 1H2' DC A 52 ... failed. Atom erased. Error: recognition of atom ATOM 1606 2H2' DC A 52 ... failed. Atom erased. Error: recognition of atom ATOM 1628 C5M DT A 53 ... failed. Atom erased. Error: recognition of atom ATOM 1632 HN3 DT A 53 ... failed. Atom erased. Error: recognition of atom ATOM 1633 1HM5 DT A 53 ... failed. Atom erased. Error: recognition of atom ATOM 1634 2HM5 DT A 53 ... failed. Atom erased. Error: recognition of atom ATOM 1635 3HM5 DT A 53 ... failed. Atom erased. Error: recognition of atom ATOM 1663 'H5' DG A 54 ... failed. Atom erased. Error: recognition of atom ATOM 1667 1H2' DG A 54 ... failed. Atom erased. Error: recognition of atom ATOM 1668 2H2' DG A 54 ... failed. Atom erased. Error: recognition of atom ATOM 1690 C5M DT A 55 ... failed. Atom erased. Error: recognition of atom ATOM 1694 HN3 DT A 55 ... failed. Atom erased. Error: recognition of atom ATOM 1695 1HM5 DT A 55 ... failed. Atom erased. Error: recognition of atom ATOM 1696 2HM5 DT A 55 ... failed. Atom erased. Error: recognition of atom ATOM 1697 3HM5 DT A 55 ... failed. Atom erased. Error: recognition of atom ATOM 1724 'H5' DA A 56 ... failed. Atom erased. Error: recognition of atom ATOM 1728 1H2' DA A 56 ... failed. Atom erased. Error: recognition of atom ATOM 1729 2H2' DA A 56 ... failed. Atom erased. Error: recognition of atom ATOM 1751 C5M DT A 57 ... failed. Atom erased. Error: recognition of atom ATOM 1755 HN3 DT A 57 ... failed. Atom erased. Error: recognition of atom ATOM 1756 1HM5 DT A 57 ... failed. Atom erased. Error: recognition of atom ATOM 1757 2HM5 DT A 57 ... failed. Atom erased. Error: recognition of atom ATOM 1758 3HM5 DT A 57 ... failed. Atom erased. Error: recognition of atom ATOM 1786 'H5' DG A 58 ... failed. Atom erased. Error: recognition of atom ATOM 1790 1H2' DG A 58 ... failed. Atom erased. Error: recognition of atom ATOM 1791 2H2' DG A 58 ... failed. Atom erased. Error: recognition of atom ATOM 1813 C5M DT A 59 ... failed. Atom erased. Error: recognition of atom ATOM 1817 HN3 DT A 59 ... failed. Atom erased. Error: recognition of atom ATOM 1818 1HM5 DT A 59 ... failed. Atom erased. Error: recognition of atom ATOM 1819 2HM5 DT A 59 ... failed. Atom erased. Error: recognition of atom ATOM 1820 3HM5 DT A 59 ... failed. Atom erased. Error: recognition of atom ATOM 1847 'H5' DA A 60 ... failed. Atom erased. Error: recognition of atom ATOM 1851 1H2' DA A 60 ... failed. Atom erased. Error: recognition of atom ATOM 1852 2H2' DA A 60 ... failed. Atom erased. Error: recognition of atom ATOM 1874 C5M DT A 61 ... failed. Atom erased. Error: recognition of atom ATOM 1878 HN3 DT A 61 ... failed. Atom erased. Error: recognition of atom ATOM 1879 1HM5 DT A 61 ... failed. Atom erased. Error: recognition of atom ATOM 1880 2HM5 DT A 61 ... failed. Atom erased. Error: recognition of atom ATOM 1881 3HM5 DT A 61 ... failed. Atom erased. Error: recognition of atom ATOM 1909 'H5' DG A 62 ... failed. Atom erased. Error: recognition of atom ATOM 1913 1H2' DG A 62 ... failed. Atom erased. Error: recognition of atom ATOM 1914 2H2' DG A 62 ... failed. Atom erased. Error: recognition of atom ATOM 1942 'H5' DG A 63 ... failed. Atom erased. Error: recognition of atom ATOM 1946 1H2' DG A 63 ... failed. Atom erased. Error: recognition of atom ATOM 1947 2H2' DG A 63 ... failed. Atom erased. Error: recognition of atom ATOM 1975 'H5' DG A 64 ... failed. Atom erased. Error: recognition of atom ATOM 1979 1H2' DG A 64 ... failed. Atom erased. Error: recognition of atom ATOM 1980 2H2' DG A 64 ... failed. Atom erased. Error: recognition of atom ATOM 2002 C5M DT A 65 ... failed. Atom erased. Error: recognition of atom ATOM 2006 HN3 DT A 65 ... failed. Atom erased. Error: recognition of atom ATOM 2007 1HM5 DT A 65 ... failed. Atom erased. Error: recognition of atom ATOM 2008 2HM5 DT A 65 ... failed. Atom erased. Error: recognition of atom ATOM 2009 3HM5 DT A 65 ... failed. Atom erased. Error: recognition of atom ATOM 2034 'H5' DC A 66 ... failed. Atom erased. Error: recognition of atom ATOM 2038 1H2' DC A 66 ... failed. Atom erased. Error: recognition of atom ATOM 2039 2H2' DC A 66 ... failed. Atom erased. Error: recognition of atom ATOM 2067 'H5' DG A 67 ... failed. Atom erased. Error: recognition of atom ATOM 2071 1H2' DG A 67 ... failed. Atom erased. Error: recognition of atom ATOM 2072 2H2' DG A 67 ... failed. Atom erased. Error: recognition of atom ATOM 2099 'H5' DA A 68 ... failed. Atom erased. Error: recognition of atom ATOM 2103 1H2' DA A 68 ... failed. Atom erased. Error: recognition of atom ATOM 2104 2H2' DA A 68 ... failed. Atom erased. Error: recognition of atom ATOM 2129 'H5' DC A 69 ... failed. Atom erased. Error: recognition of atom ATOM 2133 1H2' DC A 69 ... failed. Atom erased. Error: recognition of atom ATOM 2134 2H2' DC A 69 ... failed. Atom erased. Error: recognition of atom ATOM 2162 'H5' DG A 70 ... failed. Atom erased. Error: recognition of atom ATOM 2166 1H2' DG A 70 ... failed. Atom erased. Error: recognition of atom ATOM 2167 2H2' DG A 70 ... failed. Atom erased. Error: recognition of atom ATOM 2194 'H5' DA A 71 ... failed. Atom erased. Error: recognition of atom ATOM 2198 1H2' DA A 71 ... failed. Atom erased. Error: recognition of atom ATOM 2199 2H2' DA A 71 ... failed. Atom erased. Error: recognition of atom ATOM 2227 'H5' DG A 72 ... failed. Atom erased. Error: recognition of atom ATOM 2231 1H2' DG A 72 ... failed. Atom erased. Error: recognition of atom ATOM 2232 2H2' DG A 72 ... failed. Atom erased. Error: recognition of atom ATOM 2260 'H5' DG A 73 ... failed. Atom erased. Error: recognition of atom ATOM 2264 1H2' DG A 73 ... failed. Atom erased. Error: recognition of atom ATOM 2265 2H2' DG A 73 ... failed. Atom erased. Error: recognition of atom ATOM 2287 C5M DT A 74 ... failed. Atom erased. Error: recognition of atom ATOM 2291 HN3 DT A 74 ... failed. Atom erased. Error: recognition of atom ATOM 2292 1HM5 DT A 74 ... failed. Atom erased. Error: recognition of atom ATOM 2293 2HM5 DT A 74 ... failed. Atom erased. Error: recognition of atom ATOM 2294 3HM5 DT A 74 ... failed. Atom erased. Error: recognition of atom ATOM 2319 'H5' DC A 75 ... failed. Atom erased. Error: recognition of atom ATOM 2323 1H2' DC A 75 ... failed. Atom erased. Error: recognition of atom ATOM 2324 2H2' DC A 75 ... failed. Atom erased. Error: recognition of atom ATOM 2346 C5M DT A 76 ... failed. Atom erased. Error: recognition of atom ATOM 2350 HN3 DT A 76 ... failed. Atom erased. Error: recognition of atom ATOM 2351 1HM5 DT A 76 ... failed. Atom erased. Error: recognition of atom ATOM 2352 2HM5 DT A 76 ... failed. Atom erased. Error: recognition of atom ATOM 2353 3HM5 DT A 76 ... failed. Atom erased. Error: recognition of atom ATOM 2380 'H5' DA A 77 ... failed. Atom erased. Error: recognition of atom ATOM 2384 1H2' DA A 77 ... failed. Atom erased. Error: recognition of atom ATOM 2385 2H2' DA A 77 ... failed. Atom erased. Error: recognition of atom ATOM 2413 'H5' DG A 78 ... failed. Atom erased. Error: recognition of atom ATOM 2417 1H2' DG A 78 ... failed. Atom erased. Error: recognition of atom ATOM 2418 2H2' DG A 78 ... failed. Atom erased. Error: recognition of atom ATOM 2445 'H5' DA A 79 ... failed. Atom erased. Error: recognition of atom ATOM 2449 1H2' DA A 79 ... failed. Atom erased. Error: recognition of atom ATOM 2450 2H2' DA A 79 ... failed. Atom erased. Error: recognition of atom ATOM 2477 'H5' DA A 80 ... failed. Atom erased. Error: recognition of atom ATOM 2481 1H2' DA A 80 ... failed. Atom erased. Error: recognition of atom ATOM 2482 2H2' DA A 80 ... failed. Atom erased. Error: recognition of atom ATOM 2504 C5M DT A 81 ... failed. Atom erased. Error: recognition of atom ATOM 2508 HN3 DT A 81 ... failed. Atom erased. Error: recognition of atom ATOM 2509 1HM5 DT A 81 ... failed. Atom erased. Error: recognition of atom ATOM 2510 2HM5 DT A 81 ... failed. Atom erased. Error: recognition of atom ATOM 2511 3HM5 DT A 81 ... failed. Atom erased. Error: recognition of atom ATOM 2538 'H5' DA A 82 ... failed. Atom erased. Error: recognition of atom ATOM 2542 1H2' DA A 82 ... failed. Atom erased. Error: recognition of atom ATOM 2543 2H2' DA A 82 ... failed. Atom erased. Error: recognition of atom ATOM 2568 'H5' DC A 83 ... failed. Atom erased. Error: recognition of atom ATOM 2572 1H2' DC A 83 ... failed. Atom erased. Error: recognition of atom ATOM 2573 2H2' DC A 83 ... failed. Atom erased. Error: recognition of atom ATOM 2598 'H5' DC A 84 ... failed. Atom erased. Error: recognition of atom ATOM 2602 1H2' DC A 84 ... failed. Atom erased. Error: recognition of atom ATOM 2603 2H2' DC A 84 ... failed. Atom erased. Error: recognition of atom ATOM 2630 'H5' DA A 85 ... failed. Atom erased. Error: recognition of atom ATOM 2634 1H2' DA A 85 ... failed. Atom erased. Error: recognition of atom ATOM 2635 2H2' DA A 85 ... failed. Atom erased. Error: recognition of atom ATOM 2663 'H5' DG A 86 ... failed. Atom erased. Error: recognition of atom ATOM 2664 'HO3 DG A 86 ... failed. Atom erased. Error: recognition of atom ATOM 2668 1H2' DG A 86 ... failed. Atom erased. Error: recognition of atom ATOM 2669 2H2' DG A 86 ... failed. Atom erased. Missing atom added: HETATM 1 P DA A 1 0.929 -0.142 -2.420 1.00 0.00 P Missing atom added: HETATM 24 H5'2 DA A 1 2.027 -1.865 -0.308 1.00 0.00 H Missing atom added: HETATM 11 H2'2 DA A 1 1.498 0.469 3.742 1.00 0.00 H Missing atom added: HETATM 27 H2' DA A 1 1.747 -1.416 4.361 1.00 0.00 H Missing atom added: HETATM 22 H5'2 DT A 2 6.472 -0.850 4.592 1.00 0.00 H Missing atom added: HETATM 25 H2' DT A 2 4.315 -5.016 6.513 1.00 0.00 H Missing atom added: HETATM 26 H2'2 DT A 2 5.703 -5.171 7.582 1.00 0.00 H Missing atom added: HETATM 28 H3 DT A 2 0.912 -7.225 4.419 1.00 0.00 H Missing atom added: HETATM 19 C7 DT A 2 4.341 -6.051 1.588 1.00 0.00 C Missing atom added: HETATM 30 H72 DT A 2 3.678 -5.723 0.779 1.00 0.00 H Missing atom added: HETATM 29 H71 DT A 2 4.650 -7.084 1.388 1.00 0.00 H Missing atom added: HETATM 31 H73 DT A 2 5.234 -5.416 1.584 1.00 0.00 H Missing atom added: HETATM 24 H5'2 DA A 3 8.644 -6.969 7.700 1.00 0.00 H Missing atom added: HETATM 11 H2'2 DA A 3 7.117 -10.815 8.761 1.00 0.00 H Missing atom added: HETATM 27 H2' DA A 3 7.487 -11.158 6.826 1.00 0.00 H Missing atom added: HETATM 25 H5'2 DG A 4 10.588 -13.008 7.872 1.00 0.00 H Missing atom added: HETATM 11 H2'2 DG A 4 10.354 -16.369 5.264 1.00 0.00 H Missing atom added: HETATM 28 H2' DG A 4 11.793 -15.387 4.282 1.00 0.00 H Missing atom added: HETATM 22 H5'2 DC A 5 15.343 -15.586 5.062 1.00 0.00 H Missing atom added: HETATM 11 H2'2 DC A 5 13.166 -18.991 2.076 1.00 0.00 H Missing atom added: HETATM 25 H2' DC A 5 14.746 -18.370 1.019 1.00 0.00 H Missing atom added: HETATM 24 H5'2 DA A 6 17.496 -20.952 2.098 1.00 0.00 H Missing atom added: HETATM 11 H2'2 DA A 6 17.862 -21.510 -2.408 1.00 0.00 H Missing atom added: HETATM 27 H2' DA A 6 19.251 -20.084 -2.217 1.00 0.00 H Missing atom added: HETATM 22 H5'2 DT A 7 21.617 -23.675 -1.911 1.00 0.00 H Missing atom added: HETATM 25 H2' DT A 7 23.208 -20.758 -5.269 1.00 0.00 H Missing atom added: HETATM 26 H2'2 DT A 7 24.553 -21.891 -5.234 1.00 0.00 H Missing atom added: HETATM 28 H3 DT A 7 22.064 -16.308 -5.057 1.00 0.00 H Missing atom added: HETATM 19 C7 DT A 7 21.838 -18.063 -0.877 1.00 0.00 C Missing atom added: HETATM 30 H72 DT A 7 20.812 -17.766 -0.667 1.00 0.00 H Missing atom added: HETATM 29 H71 DT A 7 22.523 -17.302 -0.502 1.00 0.00 H Missing atom added: HETATM 31 H73 DT A 7 22.049 -19.012 -0.388 1.00 0.00 H Missing atom added: HETATM 25 H5'2 DG A 8 26.420 -20.207 -2.891 1.00 0.00 H Missing atom added: HETATM 11 H2'2 DG A 8 27.648 -16.598 -1.110 1.00 0.00 H Missing atom added: HETATM 28 H2' DG A 8 28.199 -18.034 0.167 1.00 0.00 H Missing atom added: HETATM 24 H5'2 DA A 9 28.355 -16.276 -5.645 1.00 0.00 H Missing atom added: HETATM 11 H2'2 DA A 9 27.486 -12.059 -4.551 1.00 0.00 H Missing atom added: HETATM 27 H2' DA A 9 29.092 -12.268 -3.379 1.00 0.00 H Missing atom added: HETATM 24 H5'2 DA A 10 28.839 -13.982 -9.140 1.00 0.00 H Missing atom added: HETATM 11 H2'2 DA A 10 26.546 -15.245 -11.403 1.00 0.00 H Missing atom added: HETATM 27 H2' DA A 10 28.064 -16.452 -11.892 1.00 0.00 H Missing atom added: HETATM 22 H5'2 DT A 11 28.227 -17.927 -8.379 1.00 0.00 H Missing atom added: HETATM 25 H2' DT A 11 24.555 -20.662 -9.223 1.00 0.00 H Missing atom added: HETATM 26 H2'2 DT A 11 25.655 -21.766 -10.038 1.00 0.00 H Missing atom added: HETATM 28 H3 DT A 11 20.313 -20.124 -10.056 1.00 0.00 H Missing atom added: HETATM 19 C7 DT A 11 22.829 -16.353 -10.942 1.00 0.00 C Missing atom added: HETATM 30 H72 DT A 11 22.079 -15.633 -10.588 1.00 0.00 H Missing atom added: HETATM 29 H71 DT A 11 22.736 -16.437 -12.035 1.00 0.00 H Missing atom added: HETATM 31 H73 DT A 11 23.825 -15.949 -10.715 1.00 0.00 H Missing atom added: HETATM 22 H5'2 DT A 12 26.756 -21.778 -13.848 1.00 0.00 H Missing atom added: HETATM 25 H2' DT A 12 24.233 -23.330 -13.542 1.00 0.00 H Missing atom added: HETATM 26 H2'2 DT A 12 24.731 -24.747 -14.458 1.00 0.00 H Missing atom added: HETATM 28 H3 DT A 12 20.546 -21.586 -14.369 1.00 0.00 H Missing atom added: HETATM 19 C7 DT A 12 23.441 -18.199 -13.371 1.00 0.00 C Missing atom added: HETATM 30 H72 DT A 12 22.785 -17.763 -12.619 1.00 0.00 H Missing atom added: HETATM 29 H71 DT A 12 23.275 -17.705 -14.329 1.00 0.00 H Missing atom added: HETATM 31 H73 DT A 12 24.479 -18.063 -13.070 1.00 0.00 H Missing atom added: HETATM 22 H5'2 DC A 13 30.080 -22.479 -16.931 1.00 0.00 H Missing atom added: HETATM 11 H2'2 DC A 13 32.122 -23.006 -20.937 1.00 0.00 H Missing atom added: HETATM 25 H2' DC A 13 32.473 -24.974 -20.985 1.00 0.00 H Missing atom added: HETATM 22 H5'2 DC A 14 26.684 -24.527 -20.453 1.00 0.00 H Missing atom added: HETATM 11 H2'2 DC A 14 23.881 -24.804 -21.098 1.00 0.00 H Missing atom added: HETATM 25 H2' DC A 14 23.917 -24.549 -19.116 1.00 0.00 H Missing atom added: HETATM 22 H5'2 DC A 15 24.272 -18.587 -19.613 1.00 0.00 H Missing atom added: HETATM 11 H2'2 DC A 15 25.237 -17.544 -16.833 1.00 0.00 H Missing atom added: HETATM 25 H2' DC A 15 24.675 -15.975 -17.937 1.00 0.00 H Missing atom added: HETATM 25 H5'2 DG A 16 18.875 -19.078 -16.006 1.00 0.00 H Missing atom added: HETATM 11 H2'2 DG A 16 16.684 -19.551 -19.991 1.00 0.00 H Missing atom added: HETATM 28 H2' DG A 16 15.675 -20.517 -18.561 1.00 0.00 H Missing atom added: HETATM 24 H5'2 DA A 17 12.836 -20.112 -16.410 1.00 0.00 H Missing atom added: HETATM 11 H2'2 DA A 17 12.381 -23.979 -16.675 1.00 0.00 H Missing atom added: HETATM 27 H2' DA A 17 13.078 -23.401 -14.892 1.00 0.00 H Missing atom added: HETATM 24 H5'2 DA A 18 10.636 -23.949 -12.390 1.00 0.00 H Missing atom added: HETATM 11 H2'2 DA A 18 12.859 -26.614 -9.883 1.00 0.00 H Missing atom added: HETATM 27 H2' DA A 18 13.448 -24.893 -9.054 1.00 0.00 H Missing atom added: HETATM 25 H5'2 DG A 19 10.727 -24.646 -6.112 1.00 0.00 H Missing atom added: HETATM 11 H2'2 DG A 19 13.094 -23.719 -2.916 1.00 0.00 H Missing atom added: HETATM 28 H2' DG A 19 13.087 -21.896 -3.737 1.00 0.00 H Missing atom added: HETATM 24 H5'2 DA A 20 8.981 -22.748 -1.576 1.00 0.00 H Missing atom added: HETATM 11 H2'2 DA A 20 7.391 -21.685 1.454 1.00 0.00 H Missing atom added: HETATM 27 H2' DA A 20 6.668 -20.266 0.245 1.00 0.00 H Missing atom added: HETATM 22 H5'2 DC A 21 3.704 -22.642 -0.943 1.00 0.00 H Missing atom added: HETATM 11 H2'2 DC A 21 1.822 -18.767 1.773 1.00 0.00 H Missing atom added: HETATM 25 H2' DC A 21 1.462 -17.819 0.051 1.00 0.00 H Missing atom added: HETATM 25 H5'2 DG A 22 -1.425 -20.039 -2.709 1.00 0.00 H Missing atom added: HETATM 11 H2'2 DG A 22 -2.428 -17.085 -5.311 1.00 0.00 H Missing atom added: HETATM 28 H2' DG A 22 -1.527 -17.956 -6.869 1.00 0.00 H Missing atom added: HETATM 22 H5'2 DC A 23 -5.907 -20.453 -6.424 1.00 0.00 H Missing atom added: HETATM 11 H2'2 DC A 23 -7.308 -17.193 -9.608 1.00 0.00 H Missing atom added: HETATM 25 H2' DC A 23 -5.856 -17.949 -10.755 1.00 0.00 H Missing atom added: HETATM 22 H5'2 DT A 24 -9.250 -20.994 -10.883 1.00 0.00 H Missing atom added: HETATM 25 H2' DT A 24 -7.816 -18.918 -15.253 1.00 0.00 H Missing atom added: HETATM 26 H2'2 DT A 24 -9.300 -19.531 -15.973 1.00 0.00 H Missing atom added: HETATM 28 H3 DT A 24 -3.596 -18.403 -16.534 1.00 0.00 H Missing atom added: HETATM 19 C7 DT A 24 -4.086 -22.138 -13.844 1.00 0.00 C Missing atom added: HETATM 30 H72 DT A 24 -3.196 -21.985 -13.239 1.00 0.00 H Missing atom added: HETATM 29 H71 DT A 24 -3.856 -22.803 -14.676 1.00 0.00 H Missing atom added: HETATM 31 H73 DT A 24 -4.873 -22.576 -13.234 1.00 0.00 H Missing atom added: HETATM 25 H5'2 DG A 25 -11.626 -22.201 -17.661 1.00 0.00 H Missing atom added: HETATM 11 H2'2 DG A 25 -11.663 -20.232 -21.619 1.00 0.00 H Missing atom added: HETATM 28 H2' DG A 25 -9.846 -21.040 -21.821 1.00 0.00 H Missing atom added: HETATM 22 H5'2 DT A 26 -9.934 -24.196 -23.524 1.00 0.00 H Missing atom added: HETATM 25 H2' DT A 26 -7.176 -22.949 -24.085 1.00 0.00 H Missing atom added: HETATM 26 H2'2 DT A 26 -7.391 -22.655 -25.806 1.00 0.00 H Missing atom added: HETATM 28 H3 DT A 26 -3.552 -24.075 -22.634 1.00 0.00 H Missing atom added: HETATM 19 C7 DT A 26 -6.717 -25.718 -19.710 1.00 0.00 C Missing atom added: HETATM 30 H72 DT A 26 -6.389 -25.190 -18.817 1.00 0.00 H Missing atom added: HETATM 29 H71 DT A 26 -6.277 -26.716 -19.727 1.00 0.00 H Missing atom added: HETATM 31 H73 DT A 26 -7.803 -25.801 -19.706 1.00 0.00 H Missing atom added: HETATM 25 H5'2 DG A 27 -11.029 -24.186 -28.907 1.00 0.00 H Missing atom added: HETATM 11 H2'2 DG A 27 -6.793 -26.774 -28.893 1.00 0.00 H Missing atom added: HETATM 28 H2' DG A 27 -8.232 -28.153 -29.062 1.00 0.00 H Missing atom added: HETATM 25 H5'2 DG A 28 -7.709 -29.903 -30.021 1.00 0.00 H Missing atom added: HETATM 11 H2'2 DG A 28 -5.756 -31.591 -33.400 1.00 0.00 H Missing atom added: HETATM 28 H2' DG A 28 -4.881 -29.948 -32.671 1.00 0.00 H Missing atom added: HETATM 22 H5'2 DT A 29 -2.969 -31.953 -30.724 1.00 0.00 H Missing atom added: HETATM 25 H2' DT A 29 -3.172 -34.315 -27.863 1.00 0.00 H Missing atom added: HETATM 26 H2'2 DT A 29 -1.782 -34.587 -26.818 1.00 0.00 H Missing atom added: HETATM 28 H3 DT A 29 -4.340 -32.480 -22.051 1.00 0.00 H Missing atom added: HETATM 19 C7 DT A 29 -7.189 -31.889 -25.616 1.00 0.00 C Missing atom added: HETATM 30 H72 DT A 29 -7.500 -30.864 -25.407 1.00 0.00 H Missing atom added: HETATM 29 H71 DT A 29 -7.906 -32.579 -25.163 1.00 0.00 H Missing atom added: HETATM 31 H73 DT A 29 -7.180 -32.046 -26.696 1.00 0.00 H Missing atom added: HETATM 24 H5'2 DA A 30 2.722 -33.230 -29.208 1.00 0.00 H Missing atom added: HETATM 11 H2'2 DA A 30 2.746 -28.941 -31.562 1.00 0.00 H Missing atom added: HETATM 27 H2' DA A 30 2.693 -27.768 -29.944 1.00 0.00 H Missing atom added: HETATM 22 H5'2 DC A 31 6.118 -27.868 -26.269 1.00 0.00 H Missing atom added: HETATM 11 H2'2 DC A 31 4.839 -24.695 -29.592 1.00 0.00 H Missing atom added: HETATM 25 H2' DC A 31 3.967 -23.594 -28.170 1.00 0.00 H Missing atom added: HETATM 25 H5'2 DG A 32 4.581 -21.718 -25.367 1.00 0.00 H Missing atom added: HETATM 11 H2'2 DG A 32 2.278 -20.072 -28.781 1.00 0.00 H Missing atom added: HETATM 28 H2' DG A 32 1.199 -19.633 -27.156 1.00 0.00 H Missing atom added: HETATM 22 H5'2 DC A 33 1.654 -16.000 -27.052 1.00 0.00 H Missing atom added: HETATM 11 H2'2 DC A 33 -2.181 -14.554 -26.767 1.00 0.00 H Missing atom added: HETATM 25 H2' DC A 33 -1.828 -14.717 -24.806 1.00 0.00 H Missing atom added: HETATM 24 H5'2 DA A 34 1.634 -13.741 -22.789 1.00 0.00 H Missing atom added: HETATM 11 H2'2 DA A 34 -0.165 -10.758 -19.490 1.00 0.00 H Missing atom added: HETATM 27 H2' DA A 34 1.021 -11.910 -18.366 1.00 0.00 H Missing atom added: HETATM 22 H5'2 DT A 35 5.364 -12.804 -20.052 1.00 0.00 H Missing atom added: HETATM 25 H2' DT A 35 6.772 -16.001 -19.290 1.00 0.00 H Missing atom added: HETATM 26 H2'2 DT A 35 7.906 -15.693 -17.981 1.00 0.00 H Missing atom added: HETATM 28 H3 DT A 35 3.103 -19.347 -17.609 1.00 0.00 H Missing atom added: HETATM 19 C7 DT A 35 4.268 -18.426 -21.971 1.00 0.00 C Missing atom added: HETATM 30 H72 DT A 35 3.259 -18.236 -22.342 1.00 0.00 H Missing atom added: HETATM 29 H71 DT A 35 4.528 -19.471 -22.162 1.00 0.00 H Missing atom added: HETATM 31 H73 DT A 35 4.971 -17.783 -22.505 1.00 0.00 H Missing atom added: HETATM 22 H5'2 DC A 36 7.499 -10.290 -15.621 1.00 0.00 H Missing atom added: HETATM 11 H2'2 DC A 36 4.617 -6.931 -15.068 1.00 0.00 H Missing atom added: HETATM 25 H2' DC A 36 3.762 -8.254 -13.837 1.00 0.00 H Missing atom added: HETATM 22 H5'2 DC A 37 6.687 -7.195 -10.406 1.00 0.00 H Missing atom added: HETATM 11 H2'2 DC A 37 2.276 -7.856 -8.371 1.00 0.00 H Missing atom added: HETATM 25 H2' DC A 37 2.603 -9.827 -8.317 1.00 0.00 H Missing atom added: HETATM 25 H5'2 DG A 38 4.956 -5.158 -5.891 1.00 0.00 H Missing atom added: HETATM 11 H2'2 DG A 38 4.017 -7.004 -1.437 1.00 0.00 H Missing atom added: HETATM 28 H2' DG A 38 5.671 -8.124 -1.345 1.00 0.00 H Missing atom added: HETATM 22 H5'2 DT A 39 8.775 -5.108 0.545 1.00 0.00 H Missing atom added: HETATM 25 H2' DT A 39 9.289 -9.366 2.593 1.00 0.00 H Missing atom added: HETATM 26 H2'2 DT A 39 10.772 -8.705 3.272 1.00 0.00 H Missing atom added: HETATM 28 H3 DT A 39 8.537 -12.954 0.602 1.00 0.00 H Missing atom added: HETATM 19 C7 DT A 39 8.213 -9.271 -2.219 1.00 0.00 C Missing atom added: HETATM 30 H72 DT A 39 7.324 -9.579 -2.744 1.00 0.00 H Missing atom added: HETATM 29 H71 DT A 39 9.103 -9.534 -2.772 1.00 0.00 H Missing atom added: HETATM 31 H73 DT A 39 8.190 -8.216 -1.999 1.00 0.00 H Missing atom added: HETATM 24 H5'2 DA A 40 13.390 -6.136 3.119 1.00 0.00 H Missing atom added: HETATM 11 H2'2 DA A 40 16.526 -9.647 2.474 1.00 0.00 H Missing atom added: HETATM 27 H2' DA A 40 17.261 -8.748 0.847 1.00 0.00 H Missing atom added: HETATM 24 H5'2 DA A 41 19.329 -7.789 1.234 1.00 0.00 H Missing atom added: HETATM 11 H2'2 DA A 41 22.018 -10.990 0.083 1.00 0.00 H Missing atom added: HETATM 27 H2' DA A 41 20.479 -12.123 0.668 1.00 0.00 H Missing atom added: HETATM 22 H5'2 DC A 42 22.613 -7.248 -1.412 1.00 0.00 H Missing atom added: HETATM 11 H2'2 DC A 42 25.073 -7.050 0.722 1.00 0.00 H Missing atom added: HETATM 25 H2' DC A 42 25.975 -7.912 -0.840 1.00 0.00 H Missing atom added: HETATM 24 H5'2 DA A 43 24.741 -5.695 -5.741 1.00 0.00 H Missing atom added: HETATM 11 H2'2 DA A 43 24.844 -8.622 -8.779 1.00 0.00 H Missing atom added: HETATM 27 H2' DA A 43 23.594 -9.630 -7.588 1.00 0.00 H Missing atom added: HETATM 22 H5'2 DT A 44 20.569 -7.693 -10.003 1.00 0.00 H Missing atom added: HETATM 25 H2' DT A 44 19.608 -12.282 -8.995 1.00 0.00 H Missing atom added: HETATM 26 H2'2 DT A 44 18.248 -12.050 -10.086 1.00 0.00 H Missing atom added: HETATM 28 H3 DT A 44 18.948 -13.495 -4.780 1.00 0.00 H Missing atom added: HETATM 19 C7 DT A 44 21.349 -9.602 -4.767 1.00 0.00 C Missing atom added: HETATM 30 H72 DT A 44 22.121 -9.979 -4.089 1.00 0.00 H Missing atom added: HETATM 29 H71 DT A 44 20.602 -9.056 -4.178 1.00 0.00 H Missing atom added: HETATM 31 H73 DT A 44 21.813 -8.903 -5.471 1.00 0.00 H Missing atom added: HETATM 25 H5'2 DG A 45 14.202 -9.954 -10.675 1.00 0.00 H Missing atom added: HETATM 11 H2'2 DG A 45 13.007 -14.083 -9.541 1.00 0.00 H Missing atom added: HETATM 28 H2' DG A 45 13.468 -13.541 -7.673 1.00 0.00 H Missing atom added: HETATM 22 H5'2 DC A 46 9.665 -10.707 -10.764 1.00 0.00 H Missing atom added: HETATM 11 H2'2 DC A 46 8.196 -14.353 -7.551 1.00 0.00 H Missing atom added: HETATM 25 H2' DC A 46 7.927 -13.153 -5.975 1.00 0.00 H Missing atom added: HETATM 22 H5'2 DT A 47 3.305 -12.833 -7.700 1.00 0.00 H Missing atom added: HETATM 25 H2' DT A 47 1.199 -12.403 -3.787 1.00 0.00 H Missing atom added: HETATM 26 H2'2 DT A 47 -0.140 -12.463 -4.926 1.00 0.00 H Missing atom added: HETATM 28 H3 DT A 47 1.776 -12.161 0.551 1.00 0.00 H Missing atom added: HETATM 19 C7 DT A 47 1.355 -8.428 -2.122 1.00 0.00 C Missing atom added: HETATM 30 H72 DT A 47 2.203 -7.905 -1.679 1.00 0.00 H Missing atom added: HETATM 29 H71 DT A 47 0.434 -8.103 -1.632 1.00 0.00 H Missing atom added: HETATM 31 H73 DT A 47 1.300 -8.189 -3.184 1.00 0.00 H Missing atom added: HETATM 22 H5'2 DC A 48 -2.483 -11.294 -6.787 1.00 0.00 H Missing atom added: HETATM 11 H2'2 DC A 48 -5.980 -12.708 -4.471 1.00 0.00 H Missing atom added: HETATM 25 H2' DC A 48 -5.797 -10.893 -3.654 1.00 0.00 H Missing atom added: HETATM 22 H5'2 DC A 49 -8.067 -8.179 -5.482 1.00 0.00 H Missing atom added: HETATM 11 H2'2 DC A 49 -9.711 -6.283 -1.901 1.00 0.00 H Missing atom added: HETATM 25 H2' DC A 49 -7.977 -5.290 -1.931 1.00 0.00 H Missing atom added: HETATM 24 H5'2 DA A 50 -9.742 -2.727 -4.684 1.00 0.00 H Missing atom added: HETATM 11 H2'2 DA A 50 -9.897 0.249 -1.510 1.00 0.00 H Missing atom added: HETATM 27 H2' DA A 50 -8.237 0.949 -2.376 1.00 0.00 H Missing atom added: HETATM 25 H5'2 DG A 51 -9.927 3.453 -4.649 1.00 0.00 H Missing atom added: HETATM 11 H2'2 DG A 51 -7.422 6.254 -2.395 1.00 0.00 H Missing atom added: HETATM 28 H2' DG A 51 -6.076 6.005 -3.852 1.00 0.00 H Missing atom added: HETATM 22 H5'2 DC A 52 -7.131 8.811 -6.377 1.00 0.00 H Missing atom added: HETATM 11 H2'2 DC A 52 -2.932 10.096 -5.723 1.00 0.00 H Missing atom added: HETATM 25 H2' DC A 52 -2.477 8.808 -7.181 1.00 0.00 H Missing atom added: HETATM 22 H5'2 DT A 53 -3.311 12.130 -9.861 1.00 0.00 H Missing atom added: HETATM 25 H2' DT A 53 -0.015 9.428 -11.344 1.00 0.00 H Missing atom added: HETATM 26 H2'2 DT A 53 0.462 10.769 -12.377 1.00 0.00 H Missing atom added: HETATM 28 H3 DT A 53 0.305 5.225 -12.221 1.00 0.00 H Missing atom added: HETATM 19 C7 DT A 53 -3.921 6.159 -10.715 1.00 0.00 C Missing atom added: HETATM 30 H72 DT A 53 -3.950 5.434 -9.903 1.00 0.00 H Missing atom added: HETATM 29 H71 DT A 53 -4.354 5.716 -11.614 1.00 0.00 H Missing atom added: HETATM 31 H73 DT A 53 -4.497 7.040 -10.434 1.00 0.00 H Missing atom added: HETATM 25 H5'2 DG A 54 0.022 12.520 -15.322 1.00 0.00 H Missing atom added: HETATM 11 H2'2 DG A 54 3.249 9.930 -16.786 1.00 0.00 H Missing atom added: HETATM 28 H2' DG A 54 1.809 8.767 -17.542 1.00 0.00 H Missing atom added: HETATM 22 H5'2 DT A 55 1.823 10.604 -20.860 1.00 0.00 H Missing atom added: HETATM 25 H2' DT A 55 0.773 6.086 -21.332 1.00 0.00 H Missing atom added: HETATM 26 H2'2 DT A 55 1.264 6.314 -23.006 1.00 0.00 H Missing atom added: HETATM 28 H3 DT A 55 -2.533 3.964 -19.630 1.00 0.00 H Missing atom added: HETATM 19 C7 DT A 55 -2.785 8.335 -18.191 1.00 0.00 C Missing atom added: HETATM 30 H72 DT A 55 -2.954 8.095 -17.139 1.00 0.00 H Missing atom added: HETATM 29 H71 DT A 55 -3.751 8.496 -18.680 1.00 0.00 H Missing atom added: HETATM 31 H73 DT A 55 -2.197 9.252 -18.257 1.00 0.00 H Missing atom added: HETATM 24 H5'2 DA A 56 0.228 7.354 -26.264 1.00 0.00 H Missing atom added: HETATM 11 H2'2 DA A 56 -1.084 3.269 -26.895 1.00 0.00 H Missing atom added: HETATM 27 H2' DA A 56 -2.913 3.883 -26.369 1.00 0.00 H Missing atom added: HETATM 22 H5'2 DT A 57 -3.775 4.764 -30.001 1.00 0.00 H Missing atom added: HETATM 25 H2' DT A 57 -7.423 3.238 -27.456 1.00 0.00 H Missing atom added: HETATM 26 H2'2 DT A 57 -8.145 2.849 -29.012 1.00 0.00 H Missing atom added: HETATM 28 H3 DT A 57 -8.864 4.861 -23.690 1.00 0.00 H Missing atom added: HETATM 19 C7 DT A 57 -5.774 7.757 -25.472 1.00 0.00 C Missing atom added: HETATM 30 H72 DT A 57 -5.190 7.882 -24.559 1.00 0.00 H Missing atom added: HETATM 29 H71 DT A 57 -6.503 8.568 -25.546 1.00 0.00 H Missing atom added: HETATM 31 H73 DT A 57 -5.105 7.799 -26.333 1.00 0.00 H Missing atom added: HETATM 25 H5'2 DG A 58 -10.049 3.952 -31.714 1.00 0.00 H Missing atom added: HETATM 11 H2'2 DG A 58 -13.594 2.610 -29.502 1.00 0.00 H Missing atom added: HETATM 28 H2' DG A 58 -13.766 4.515 -28.920 1.00 0.00 H Missing atom added: HETATM 22 H5'2 DT A 59 -15.855 5.547 -31.970 1.00 0.00 H Missing atom added: HETATM 25 H2' DT A 59 -16.901 7.830 -28.044 1.00 0.00 H Missing atom added: HETATM 26 H2'2 DT A 59 -18.442 8.169 -28.823 1.00 0.00 H Missing atom added: HETATM 28 H3 DT A 59 -14.020 10.112 -25.505 1.00 0.00 H Missing atom added: HETATM 19 C7 DT A 59 -12.163 9.122 -29.613 1.00 0.00 C Missing atom added: HETATM 30 H72 DT A 59 -11.181 8.847 -29.217 1.00 0.00 H Missing atom added: HETATM 29 H71 DT A 59 -12.137 10.172 -29.924 1.00 0.00 H Missing atom added: HETATM 31 H73 DT A 59 -12.374 8.503 -30.490 1.00 0.00 H Missing atom added: HETATM 24 H5'2 DA A 60 -20.539 10.397 -30.615 1.00 0.00 H Missing atom added: HETATM 11 H2'2 DA A 60 -21.629 13.047 -27.289 1.00 0.00 H Missing atom added: HETATM 27 H2' DA A 60 -19.922 13.937 -27.828 1.00 0.00 H Missing atom added: HETATM 22 H5'2 DT A 61 -22.192 15.986 -30.288 1.00 0.00 H Missing atom added: HETATM 25 H2' DT A 61 -19.053 18.730 -28.153 1.00 0.00 H Missing atom added: HETATM 26 H2'2 DT A 61 -20.109 20.047 -28.650 1.00 0.00 H Missing atom added: HETATM 28 H3 DT A 61 -14.969 16.551 -27.140 1.00 0.00 H Missing atom added: HETATM 19 C7 DT A 61 -16.488 15.800 -31.446 1.00 0.00 C Missing atom added: HETATM 30 H72 DT A 61 -16.339 14.719 -31.429 1.00 0.00 H Missing atom added: HETATM 29 H71 DT A 61 -15.612 16.275 -31.897 1.00 0.00 H Missing atom added: HETATM 31 H73 DT A 61 -17.367 16.030 -32.051 1.00 0.00 H Missing atom added: HETATM 25 H5'2 DG A 62 -20.376 22.678 -30.588 1.00 0.00 H Missing atom added: HETATM 11 H2'2 DG A 62 -17.134 25.113 -29.336 1.00 0.00 H Missing atom added: HETATM 28 H2' DG A 62 -16.182 24.212 -30.845 1.00 0.00 H Missing atom added: HETATM 25 H5'2 DG A 63 -17.221 26.985 -33.335 1.00 0.00 H Missing atom added: HETATM 11 H2'2 DG A 63 -13.002 27.850 -33.129 1.00 0.00 H Missing atom added: HETATM 28 H2' DG A 63 -12.799 26.529 -34.616 1.00 0.00 H Missing atom added: HETATM 25 H5'2 DG A 64 -12.944 28.975 -37.429 1.00 0.00 H Missing atom added: HETATM 11 H2'2 DG A 64 -8.938 27.570 -38.298 1.00 0.00 H Missing atom added: HETATM 28 H2' DG A 64 -9.829 26.290 -39.548 1.00 0.00 H Missing atom added: HETATM 22 H5'2 DT A 65 -9.728 28.707 -42.457 1.00 0.00 H Missing atom added: HETATM 25 H2' DT A 65 -9.469 24.194 -43.667 1.00 0.00 H Missing atom added: HETATM 26 H2'2 DT A 65 -8.695 24.777 -45.136 1.00 0.00 H Missing atom added: HETATM 28 H3 DT A 65 -12.433 21.107 -42.114 1.00 0.00 H Missing atom added: HETATM 19 C7 DT A 65 -14.200 25.361 -41.840 1.00 0.00 C Missing atom added: HETATM 30 H72 DT A 65 -14.563 25.281 -40.814 1.00 0.00 H Missing atom added: HETATM 29 H71 DT A 65 -15.013 25.112 -42.528 1.00 0.00 H Missing atom added: HETATM 31 H73 DT A 65 -13.879 26.387 -42.027 1.00 0.00 H Missing atom added: HETATM 22 H5'2 DC A 66 -9.570 26.018 -48.739 1.00 0.00 H Missing atom added: HETATM 11 H2'2 DC A 66 -9.838 21.878 -49.937 1.00 0.00 H Missing atom added: HETATM 25 H2' DC A 66 -11.743 22.042 -49.352 1.00 0.00 H Missing atom added: HETATM 25 H5'2 DG A 67 -12.590 22.761 -53.231 1.00 0.00 H Missing atom added: HETATM 11 H2'2 DG A 67 -14.582 19.008 -53.995 1.00 0.00 H Missing atom added: HETATM 28 H2' DG A 67 -16.172 19.961 -53.245 1.00 0.00 H Missing atom added: HETATM 24 H5'2 DA A 68 -17.496 21.194 -56.529 1.00 0.00 H Missing atom added: HETATM 11 H2'2 DA A 68 -20.766 18.452 -55.440 1.00 0.00 H Missing atom added: HETATM 27 H2' DA A 68 -21.589 20.043 -54.553 1.00 0.00 H Missing atom added: HETATM 22 H5'2 DC A 69 -23.610 21.295 -57.653 1.00 0.00 H Missing atom added: HETATM 11 H2'2 DC A 69 -27.053 20.788 -54.904 1.00 0.00 H Missing atom added: HETATM 25 H2' DC A 69 -26.722 22.707 -54.454 1.00 0.00 H Missing atom added: HETATM 25 H5'2 DG A 70 -29.315 24.101 -56.916 1.00 0.00 H Missing atom added: HETATM 11 H2'2 DG A 70 -31.260 25.767 -53.548 1.00 0.00 H Missing atom added: HETATM 28 H2' DG A 70 -30.000 27.304 -53.764 1.00 0.00 H Missing atom added: HETATM 24 H5'2 DA A 71 -32.434 29.612 -55.889 1.00 0.00 H Missing atom added: HETATM 11 H2'2 DA A 71 -31.434 32.574 -52.775 1.00 0.00 H Missing atom added: HETATM 27 H2' DA A 71 -29.772 33.015 -53.793 1.00 0.00 H Missing atom added: HETATM 25 H5'2 DG A 72 -31.680 35.813 -55.594 1.00 0.00 H Missing atom added: HETATM 11 H2'2 DG A 72 -29.330 38.502 -53.130 1.00 0.00 H Missing atom added: HETATM 28 H2' DG A 72 -27.995 38.405 -54.615 1.00 0.00 H Missing atom added: HETATM 25 H5'2 DG A 73 -27.846 39.275 -57.830 1.00 0.00 H Missing atom added: HETATM 11 H2'2 DG A 73 -24.561 41.277 -55.542 1.00 0.00 H Missing atom added: HETATM 28 H2' DG A 73 -23.737 40.379 -57.126 1.00 0.00 H Missing atom added: HETATM 22 H5'2 DT A 74 -23.237 43.786 -58.665 1.00 0.00 H Missing atom added: HETATM 25 H2' DT A 74 -19.427 41.945 -59.882 1.00 0.00 H Missing atom added: HETATM 26 H2'2 DT A 74 -18.984 43.560 -60.419 1.00 0.00 H Missing atom added: HETATM 28 H3 DT A 74 -19.106 37.909 -61.635 1.00 0.00 H Missing atom added: HETATM 19 C7 DT A 74 -23.457 38.649 -60.453 1.00 0.00 C Missing atom added: HETATM 30 H72 DT A 74 -23.593 37.832 -59.744 1.00 0.00 H Missing atom added: HETATM 29 H71 DT A 74 -23.778 38.323 -61.445 1.00 0.00 H Missing atom added: HETATM 31 H73 DT A 74 -24.066 39.499 -60.142 1.00 0.00 H Missing atom added: HETATM 22 H5'2 DC A 75 -18.966 45.691 -63.088 1.00 0.00 H Missing atom added: HETATM 11 H2'2 DC A 75 -15.636 43.459 -65.043 1.00 0.00 H Missing atom added: HETATM 25 H2' DC A 75 -17.128 42.546 -66.010 1.00 0.00 H Missing atom added: HETATM 22 H5'2 DT A 76 -16.908 44.953 -69.022 1.00 0.00 H Missing atom added: HETATM 25 H2' DT A 76 -18.648 40.511 -69.886 1.00 0.00 H Missing atom added: HETATM 26 H2'2 DT A 76 -18.634 41.027 -71.568 1.00 0.00 H Missing atom added: HETATM 28 H3 DT A 76 -22.104 38.477 -68.667 1.00 0.00 H Missing atom added: HETATM 19 C7 DT A 76 -22.065 42.613 -66.612 1.00 0.00 C Missing atom added: HETATM 30 H72 DT A 76 -22.274 42.245 -65.598 1.00 0.00 H Missing atom added: HETATM 29 H71 DT A 76 -23.020 42.907 -67.072 1.00 0.00 H Missing atom added: HETATM 31 H73 DT A 76 -21.439 43.511 -66.526 1.00 0.00 H Missing atom added: HETATM 24 H5'2 DA A 77 -20.244 43.145 -72.281 1.00 0.00 H Missing atom added: HETATM 11 H2'2 DA A 77 -19.574 43.492 -76.170 1.00 0.00 H Missing atom added: HETATM 27 H2' DA A 77 -18.044 42.689 -75.164 1.00 0.00 H Missing atom added: HETATM 25 H5'2 DG A 78 -23.366 40.224 -75.031 1.00 0.00 H Missing atom added: HETATM 11 H2'2 DG A 78 -22.901 35.936 -74.848 1.00 0.00 H Missing atom added: HETATM 28 H2' DG A 78 -23.225 36.823 -73.085 1.00 0.00 H Missing atom added: HETATM 24 H5'2 DA A 79 -27.262 36.144 -71.593 1.00 0.00 H Missing atom added: HETATM 11 H2'2 DA A 79 -29.041 36.198 -69.364 1.00 0.00 H Missing atom added: HETATM 27 H2' DA A 79 -28.510 34.329 -69.834 1.00 0.00 H Missing atom added: HETATM 24 H5'2 DA A 80 -24.586 32.227 -68.789 1.00 0.00 H Missing atom added: HETATM 11 H2'2 DA A 80 -22.447 29.957 -71.843 1.00 0.00 H Missing atom added: HETATM 27 H2' DA A 80 -21.058 31.237 -71.188 1.00 0.00 H Missing atom added: HETATM 22 H5'2 DT A 81 -19.872 28.471 -68.098 1.00 0.00 H Missing atom added: HETATM 25 H2' DT A 81 -17.359 32.145 -68.365 1.00 0.00 H Missing atom added: HETATM 26 H2'2 DT A 81 -16.084 31.198 -67.609 1.00 0.00 H Missing atom added: HETATM 28 H3 DT A 81 -17.686 36.321 -67.963 1.00 0.00 H Missing atom added: HETATM 19 C7 DT A 81 -21.468 34.152 -66.396 1.00 0.00 C Missing atom added: HETATM 30 H72 DT A 81 -22.194 34.701 -66.990 1.00 0.00 H Missing atom added: HETATM 29 H71 DT A 81 -21.362 34.620 -65.418 1.00 0.00 H Missing atom added: HETATM 31 H73 DT A 81 -21.796 33.123 -66.275 1.00 0.00 H Missing atom added: HETATM 24 H5'2 DA A 82 -14.350 29.873 -64.762 1.00 0.00 H Missing atom added: HETATM 11 H2'2 DA A 82 -12.725 34.277 -64.650 1.00 0.00 H Missing atom added: HETATM 27 H2' DA A 82 -14.170 34.660 -63.323 1.00 0.00 H Missing atom added: HETATM 22 H5'2 DC A 83 -14.034 33.850 -59.786 1.00 0.00 H Missing atom added: HETATM 11 H2'2 DC A 83 -14.630 37.380 -58.803 1.00 0.00 H Missing atom added: HETATM 25 H2' DC A 83 -16.106 36.316 -57.975 1.00 0.00 H Missing atom added: HETATM 22 H5'2 DC A 84 -15.718 35.961 -54.191 1.00 0.00 H Missing atom added: HETATM 11 H2'2 DC A 84 -17.344 39.182 -52.734 1.00 0.00 H Missing atom added: HETATM 25 H2' DC A 84 -18.534 37.641 -52.282 1.00 0.00 H Missing atom added: HETATM 24 H5'2 DA A 85 -16.456 38.518 -48.122 1.00 0.00 H Missing atom added: HETATM 11 H2'2 DA A 85 -20.808 40.350 -47.799 1.00 0.00 H Missing atom added: HETATM 27 H2' DA A 85 -21.545 38.495 -47.694 1.00 0.00 H Missing atom added: HETATM 25 H5'2 DG A 86 -21.823 38.613 -43.968 1.00 0.00 H Missing atom added: HETATM 11 H2'2 DG A 86 -26.159 37.773 -44.518 1.00 0.00 H Missing atom added: HETATM 28 H2' DG A 86 -25.696 35.839 -44.732 1.00 0.00 H Number of atoms: 2733 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: 2950 Number of angles built: 5357 Number of dihedrals built: 8007 Number of impropers built: 585 ----------------------------------------------------------------------------- End of molecule (chain) ----------------------------------------------------------------------------- ----------------------------------------------------------------------------- Building interresidual nonbonded pairs & H-bonds (it may take a while)... Number of electrostatic pairs: 3724971 Number of van der Waals pairs: 322195 Number of H-bonds built: 40 Number of spring restraints: 0 Number of positional restraints: 0 Number of base pairs built: 7 Number of molecules (chains) read: 1 ----------------------------------------------------------------------------- Performing minimization step: 1. Total energy = 183849.6850 kcal/mol (183481.2550 without restraints) Performing minimization step: 2. Total energy = 180841.4323 kcal/mol (180483.9656 without restraints) Performing minimization step: 3. Total energy = 177923.8588 kcal/mol (177576.8386 without restraints) Performing minimization step: 4. Total energy = 175092.7231 kcal/mol (174755.6648 without restraints) Performing minimization step: 5. Total energy = 172344.0463 kcal/mol (172016.4949 without restraints) Performing minimization step: 6. Total energy = 169674.0926 kcal/mol (169355.6209 without restraints) Performing minimization step: 7. Total energy = 167079.3524 kcal/mol (166769.5589 without restraints) Performing minimization step: 8. Total energy = 164556.5262 kcal/mol (164255.0334 without restraints) Performing minimization step: 9. Total energy = 162102.5101 kcal/mol (161808.9625 without restraints) Performing minimization step: 10. Total energy = 159714.3820 kcal/mol (159428.4452 without restraints) Performing minimization step: 11. Total energy = 157389.3896 kcal/mol (157110.7481 without restraints) Performing minimization step: 12. Total energy = 155124.9383 kcal/mol (154853.2949 without restraints) Performing minimization step: 13. Total energy = 152918.5808 kcal/mol (152653.6549 without restraints) Performing minimization step: 14. Total energy = 150768.0071 kcal/mol (150509.5339 without restraints) Performing minimization step: 15. Total energy = 148671.0355 kcal/mol (148418.7648 without restraints) Performing minimization step: 16. Total energy = 146625.6039 kcal/mol (146379.2989 without restraints) Performing minimization step: 17. Total energy = 144629.7619 kcal/mol (144389.1988 without restraints) Performing minimization step: 18. Total energy = 142681.6636 kcal/mol (142446.6304 without restraints) Performing minimization step: 19. Total energy = 140779.5606 kcal/mol (140549.8566 without restraints) Performing minimization step: 20. Total energy = 138921.7962 kcal/mol (138697.2308 without restraints) Performing minimization step: 21. Total energy = 137106.7986 kcal/mol (136887.1914 without restraints) Performing minimization step: 22. Total energy = 135333.0768 kcal/mol (135118.2561 without restraints) Performing minimization step: 23. Total energy = 133599.2134 kcal/mol (133389.0163 without restraints) Performing minimization step: 24. Total energy = 131903.8626 kcal/mol (131698.1342 without restraints) Performing minimization step: 25. Total energy = 130245.7438 kcal/mol (130044.3367 without restraints) Performing minimization step: 26. Total energy = 128623.6382 kcal/mol (128426.4120 without restraints) Performing minimization step: 27. Total energy = 127036.3848 kcal/mol (126843.2058 without restraints) Performing minimization step: 28. Total energy = 125482.8772 kcal/mol (125293.6179 without restraints) Performing minimization step: 29. Total energy = 123962.0600 kcal/mol (123776.5988 without restraints) Performing minimization step: 30. Total energy = 122472.9261 kcal/mol (122291.1468 without restraints) Performing minimization step: 31. Total energy = 121014.5134 kcal/mol (120836.3049 without restraints) Performing minimization step: 32. Total energy = 119585.9025 kcal/mol (119411.1588 without restraints) Performing minimization step: 33. Total energy = 118186.2137 kcal/mol (118014.8332 without restraints) Performing minimization step: 34. Total energy = 116814.6054 kcal/mol (116646.4910 without restraints) Performing minimization step: 35. Total energy = 115470.2716 kcal/mol (115305.3302 without restraints) Performing minimization step: 36. Total energy = 114152.4400 kcal/mol (113990.5823 without restraints) Performing minimization step: 37. Total energy = 112860.3695 kcal/mol (112701.5099 without restraints) Performing minimization step: 38. Total energy = 111593.3500 kcal/mol (111437.4063 without restraints) Performing minimization step: 39. Total energy = 110350.6989 kcal/mol (110197.5922 without restraints) Performing minimization step: 40. Total energy = 109131.7609 kcal/mol (108981.4156 without restraints) Performing minimization step: 41. Total energy = 107935.9056 kcal/mol (107788.2483 without restraints) Performing minimization step: 42. Total energy = 106762.5268 kcal/mol (106617.4877 without restraints) Performing minimization step: 43. Total energy = 105611.0415 kcal/mol (105468.5529 without restraints) Performing minimization step: 44. Total energy = 104480.8882 kcal/mol (104340.8851 without restraints) Performing minimization step: 45. Total energy = 103371.5257 kcal/mol (103233.9455 without restraints) Performing minimization step: 46. Total energy = 102282.4327 kcal/mol (102147.2148 without restraints) Performing minimization step: 47. Total energy = 101213.1061 kcal/mol (101080.1923 without restraints) Performing minimization step: 48. Total energy = 100163.0607 kcal/mol (100032.3948 without restraints) Performing minimization step: 49. Total energy = 99131.8281 kcal/mol (99003.3556 without restraints) Performing minimization step: 50. Total energy = 98118.9557 kcal/mol (97992.6243 without restraints) Performing minimization step: 51. Total energy = 97124.0064 kcal/mol (96999.7653 without restraints) Performing minimization step: 52. Total energy = 96146.5575 kcal/mol (96024.3577 without restraints) Performing minimization step: 53. Total energy = 95186.2004 kcal/mol (95065.9943 without restraints) Performing minimization step: 54. Total energy = 94242.5395 kcal/mol (94124.2812 without restraints) Performing minimization step: 55. Total energy = 93315.1917 kcal/mol (93198.8368 without restraints) Performing minimization step: 56. Total energy = 92403.7869 kcal/mol (92289.2923 without restraints) Performing minimization step: 57. Total energy = 91507.9652 kcal/mol (91395.2892 without restraints) Performing minimization step: 58. Total energy = 90627.3787 kcal/mol (90516.4809 without restraints) Performing minimization step: 59. Total energy = 89761.6905 kcal/mol (89652.5316 without restraints) Performing minimization step: 60. Total energy = 88910.5732 kcal/mol (88803.1153 without restraints) Performing minimization step: 61. Total energy = 88073.7092 kcal/mol (87967.9153 without restraints) Performing minimization step: 62. Total energy = 87250.7905 kcal/mol (87146.6249 without restraints) Performing minimization step: 63. Total energy = 86441.5178 kcal/mol (86338.9454 without restraints) Performing minimization step: 64. Total energy = 85645.6002 kcal/mol (85544.5874 without restraints) Performing minimization step: 65. Total energy = 84862.7558 kcal/mol (84763.2697 without restraints) Performing minimization step: 66. Total energy = 84092.7101 kcal/mol (83994.7189 without restraints) Performing minimization step: 67. Total energy = 83335.1966 kcal/mol (83238.6691 without restraints) Performing minimization step: 68. Total energy = 82589.9559 kcal/mol (82494.8620 without restraints) Performing minimization step: 69. Total energy = 81856.7357 kcal/mol (81763.0461 without restraints) Performing minimization step: 70. Total energy = 81135.2905 kcal/mol (81042.9765 without restraints) Performing minimization step: 71. Total energy = 80425.3819 kcal/mol (80334.4157 without restraints) Performing minimization step: 72. Total energy = 79726.7771 kcal/mol (79637.1317 without restraints) Performing minimization step: 73. Total energy = 79039.2496 kcal/mol (78950.8986 without restraints) Performing minimization step: 74. Total energy = 78362.5793 kcal/mol (78275.4970 without restraints) Performing minimization step: 75. Total energy = 77696.5508 kcal/mol (77610.7122 without restraints) Performing minimization step: 76. Total energy = 77040.9550 kcal/mol (76956.3357 without restraints) Performing minimization step: 77. Total energy = 76395.5878 kcal/mol (76312.1640 without restraints) Performing minimization step: 78. Total energy = 75760.2503 kcal/mol (75677.9988 without restraints) Performing minimization step: 79. Total energy = 75134.7485 kcal/mol (75053.6468 without restraints) Performing minimization step: 80. Total energy = 74518.8931 kcal/mol (74438.9190 without restraints) Performing minimization step: 81. Total energy = 73912.4997 kcal/mol (73833.6316 without restraints) Performing minimization step: 82. Total energy = 73315.3873 kcal/mol (73237.6043 without restraints) Performing minimization step: 83. Total energy = 72727.3810 kcal/mol (72650.6626 without restraints) Performing minimization step: 84. Total energy = 72148.3089 kcal/mol (72072.6352 without restraints) Performing minimization step: 85. Total energy = 71578.0034 kcal/mol (71503.3547 without restraints) Performing minimization step: 86. Total energy = 71016.3009 kcal/mol (70942.6582 without restraints) Performing minimization step: 87. Total energy = 70463.0415 kcal/mol (70390.3861 without restraints) Performing minimization step: 88. Total energy = 69918.0690 kcal/mol (69846.3827 without restraints) Performing minimization step: 89. Total energy = 69381.2309 kcal/mol (69310.4959 without restraints) Performing minimization step: 90. Total energy = 68852.3780 kcal/mol (68782.5769 without restraints) Performing minimization step: 91. Total energy = 68331.3647 kcal/mol (68262.4806 without restraints) Performing minimization step: 92. Total energy = 67818.0485 kcal/mol (67750.0646 without restraints) Performing minimization step: 93. Total energy = 67312.2901 kcal/mol (67245.1902 without restraints) Performing minimization step: 94. Total energy = 66813.9530 kcal/mol (66747.7212 without restraints) Performing minimization step: 95. Total energy = 66322.9044 kcal/mol (66257.5251 without restraints) Performing minimization step: 96. Total energy = 65839.0135 kcal/mol (65774.4715 without restraints) Performing minimization step: 97. Total energy = 65362.1531 kcal/mol (65298.4336 without restraints) Performing minimization step: 98. Total energy = 64892.1982 kcal/mol (64829.2865 without restraints) Performing minimization step: 99. Total energy = 64429.0270 kcal/mol (64366.9090 without restraints) Performing minimization step: 100. Total energy = 63972.5200 kcal/mol (63911.1818 without restraints) Writing PDB file: /home/ubuntu/rna-tools/rna_tools/tools/webserver-engine/media/jobs/b826130c/tmp/C15MA2_refx/C15MA2_refx.pdb ...Done. Performing minimization step: 101. Total energy = 63522.5601 kcal/mol (63461.9878 without restraints) Performing minimization step: 102. Total energy = 63079.0328 kcal/mol (63019.2132 without restraints) Performing minimization step: 103. Total energy = 62641.8263 kcal/mol (62582.7463 without restraints) Performing minimization step: 104. Total energy = 62210.8305 kcal/mol (62152.4773 without restraints) Performing minimization step: 105. Total energy = 61785.9382 kcal/mol (61728.2991 without restraints) Performing minimization step: 106. Total energy = 61367.0442 kcal/mol (61310.1070 without restraints) Performing minimization step: 107. Total energy = 60954.0449 kcal/mol (60897.7975 without restraints) Performing minimization step: 108. Total energy = 60546.8397 kcal/mol (60491.2705 without restraints) Performing minimization step: 109. Total energy = 60145.3292 kcal/mol (60090.4264 without restraints) Performing minimization step: 110. Total energy = 59749.4166 kcal/mol (59695.1690 without restraints) Performing minimization step: 111. Total energy = 59359.0067 kcal/mol (59305.4031 without restraints) Performing minimization step: 112. Total energy = 58974.0065 kcal/mol (58921.0360 without restraints) Performing minimization step: 113. Total energy = 58594.3245 kcal/mol (58541.9765 without restraints) Performing minimization step: 114. Total energy = 58219.8715 kcal/mol (58168.1355 without restraints) Performing minimization step: 115. Total energy = 57850.5595 kcal/mol (57799.4252 without restraints) Performing minimization step: 116. Total energy = 57486.3023 kcal/mol (57435.7598 without restraints) Performing minimization step: 117. Total energy = 57127.0160 kcal/mol (57077.0554 without restraints) Performing minimization step: 118. Total energy = 56772.6178 kcal/mol (56723.2293 without restraints) Performing minimization step: 119. Total energy = 56423.0264 kcal/mol (56374.2007 without restraints) Performing minimization step: 120. Total energy = 56078.1626 kcal/mol (56029.8903 without restraints) Performing minimization step: 121. Total energy = 55737.9479 kcal/mol (55690.2198 without restraints) Performing minimization step: 122. Total energy = 55402.3058 kcal/mol (55355.1131 without restraints) Performing minimization step: 123. Total energy = 55071.1615 kcal/mol (55024.4953 without restraints) Performing minimization step: 124. Total energy = 54744.4411 kcal/mol (54698.2929 without restraints) Performing minimization step: 125. Total energy = 54422.0724 kcal/mol (54376.4337 without restraints) Performing minimization step: 126. Total energy = 54103.9845 kcal/mol (54058.8470 without restraints) Performing minimization step: 127. Total energy = 53790.1078 kcal/mol (53745.4634 without restraints) Performing minimization step: 128. Total energy = 53480.3741 kcal/mol (53436.2147 without restraints) Performing minimization step: 129. Total energy = 53174.7162 kcal/mol (53131.0341 without restraints) Performing minimization step: 130. Total energy = 52873.0685 kcal/mol (52829.8559 without restraints) Performing minimization step: 131. Total energy = 52575.3662 kcal/mol (52532.6157 without restraints) Performing minimization step: 132. Total energy = 52281.5462 kcal/mol (52239.2503 without restraints) Performing minimization step: 133. Total energy = 51991.5461 kcal/mol (51949.6975 without restraints) Performing minimization step: 134. Total energy = 51705.3048 kcal/mol (51663.8964 without restraints) Performing minimization step: 135. Total energy = 51422.7627 kcal/mol (51381.7875 without restraints) Performing minimization step: 136. Total energy = 51143.8604 kcal/mol (51103.3115 without restraints) Performing minimization step: 137. Total energy = 50868.5402 kcal/mol (50828.4109 without restraints) Performing minimization step: 138. Total energy = 50596.7456 kcal/mol (50557.0291 without restraints) Performing minimization step: 139. Total energy = 50328.4206 kcal/mol (50289.1104 without restraints) Performing minimization step: 140. Total energy = 50063.5105 kcal/mol (50024.6004 without restraints) Performing minimization step: 141. Total energy = 49801.9616 kcal/mol (49763.4451 without restraints) Performing minimization step: 142. Total energy = 49543.7208 kcal/mol (49505.5919 without restraints) Performing minimization step: 143. Total energy = 49288.7369 kcal/mol (49250.9894 without restraints) Performing minimization step: 144. Total energy = 49036.9585 kcal/mol (48999.5864 without restraints) Performing minimization step: 145. Total energy = 48788.3356 kcal/mol (48751.3331 without restraints) Performing minimization step: 146. Total energy = 48542.8192 kcal/mol (48506.1806 without restraints) Performing minimization step: 147. Total energy = 48300.3606 kcal/mol (48264.0803 without restraints) Performing minimization step: 148. Total energy = 48060.9127 kcal/mol (48024.9850 without restraints) Performing minimization step: 149. Total energy = 47824.4284 kcal/mol (47788.8480 without restraints) Performing minimization step: 150. Total energy = 47590.8625 kcal/mol (47555.6239 without restraints) Performing minimization step: 151. Total energy = 47360.1698 kcal/mol (47325.2678 without restraints) Performing minimization step: 152. Total energy = 47132.3059 kcal/mol (47097.7353 without restraints) Performing minimization step: 153. Total energy = 46907.2275 kcal/mol (46872.9832 without restraints) Performing minimization step: 154. Total energy = 46684.8918 kcal/mol (46650.9689 without restraints) Performing minimization step: 155. Total energy = 46465.2568 kcal/mol (46431.6503 without restraints) Performing minimization step: 156. Total energy = 46248.2817 kcal/mol (46214.9868 without restraints) Performing minimization step: 157. Total energy = 46033.9250 kcal/mol (46000.9369 without restraints) Performing minimization step: 158. Total energy = 45822.1471 kcal/mol (45789.4612 without restraints) Performing minimization step: 159. Total energy = 45612.9092 kcal/mol (45580.5209 without restraints) Performing minimization step: 160. Total energy = 45406.1729 kcal/mol (45374.0778 without restraints) Performing minimization step: 161. Total energy = 45201.9001 kcal/mol (45170.0937 without restraints) Performing minimization step: 162. Total energy = 45000.0536 kcal/mol (44968.5314 without restraints) Performing minimization step: 163. Total energy = 44800.5965 kcal/mol (44769.3544 without restraints) Performing minimization step: 164. Total energy = 44603.4934 kcal/mol (44572.5271 without restraints) Performing minimization step: 165. Total energy = 44408.7083 kcal/mol (44378.0137 without restraints) Performing minimization step: 166. Total energy = 44216.2071 kcal/mol (44185.7801 without restraints) Performing minimization step: 167. Total energy = 44025.9552 kcal/mol (43995.7918 without restraints) Performing minimization step: 168. Total energy = 43837.9190 kcal/mol (43808.0154 without restraints) Performing minimization step: 169. Total energy = 43652.0656 kcal/mol (43622.4177 without restraints) Performing minimization step: 170. Total energy = 43468.3628 kcal/mol (43438.9669 without restraints) Performing minimization step: 171. Total energy = 43286.7779 kcal/mol (43257.6303 without restraints) Performing minimization step: 172. Total energy = 43107.2795 kcal/mol (43078.3765 without restraints) Performing minimization step: 173. Total energy = 42929.8370 kcal/mol (42901.1750 without restraints) Performing minimization step: 174. Total energy = 42754.4199 kcal/mol (42725.9953 without restraints) Performing minimization step: 175. Total energy = 42580.9983 kcal/mol (42552.8076 without restraints) Performing minimization step: 176. Total energy = 42409.5427 kcal/mol (42381.5825 without restraints) Performing minimization step: 177. Total energy = 42240.0244 kcal/mol (42212.2912 without restraints) Performing minimization step: 178. Total energy = 42072.4146 kcal/mol (42044.9052 without restraints) Performing minimization step: 179. Total energy = 41906.6854 kcal/mol (41879.3965 without restraints) Performing minimization step: 180. Total energy = 41742.8096 kcal/mol (41715.7380 without restraints) Performing minimization step: 181. Total energy = 41580.7598 kcal/mol (41553.9022 without restraints) Performing minimization step: 182. Total energy = 41420.5091 kcal/mol (41393.8624 without restraints) Performing minimization step: 183. Total energy = 41262.0316 kcal/mol (41235.5928 without restraints) Performing minimization step: 184. Total energy = 41105.3012 kcal/mol (41079.0673 without restraints) Performing minimization step: 185. Total energy = 40950.2925 kcal/mol (40924.2605 without restraints) Performing minimization step: 186. Total energy = 40796.9811 kcal/mol (40771.1481 without restraints) Performing minimization step: 187. Total energy = 40645.3418 kcal/mol (40619.7049 without restraints) Performing minimization step: 188. Total energy = 40495.3505 kcal/mol (40469.9068 without restraints) Performing minimization step: 189. Total energy = 40346.9837 kcal/mol (40321.7305 without restraints) Performing minimization step: 190. Total energy = 40200.2178 kcal/mol (40175.1523 without restraints) Performing minimization step: 191. Total energy = 40055.0296 kcal/mol (40030.1492 without restraints) Performing minimization step: 192. Total energy = 39911.3966 kcal/mol (39886.6986 without restraints) Performing minimization step: 193. Total energy = 39769.2965 kcal/mol (39744.7782 without restraints) Performing minimization step: 194. Total energy = 39628.7072 kcal/mol (39604.3661 without restraints) Performing minimization step: 195. Total energy = 39489.6074 kcal/mol (39465.4411 without restraints) Performing minimization step: 196. Total energy = 39351.9753 kcal/mol (39327.9812 without restraints) Performing minimization step: 197. Total energy = 39215.7904 kcal/mol (39191.9659 without restraints) Performing minimization step: 198. Total energy = 39081.0322 kcal/mol (39057.3750 without restraints) Performing minimization step: 199. Total energy = 38947.6794 kcal/mol (38924.1872 without restraints) Performing minimization step: 200. Total energy = 38815.7127 kcal/mol (38792.3831 without restraints) Writing PDB file: /home/ubuntu/rna-tools/rna_tools/tools/webserver-engine/media/jobs/b826130c/tmp/C15MA2_refx/C15MA2_refx.pdb ...Done. Performing minimization step: 201. Total energy = 38685.1124 kcal/mol (38661.9430 without restraints) Performing minimization step: 202. Total energy = 38555.8593 kcal/mol (38532.8480 without restraints) Performing minimization step: 203. Total energy = 38427.9343 kcal/mol (38405.0788 without restraints) Performing minimization step: 204. Total energy = 38301.3183 kcal/mol (38278.6164 without restraints) Performing minimization step: 205. Total energy = 38175.9931 kcal/mol (38153.4426 without restraints) Performing minimization step: 206. Total energy = 38051.9405 kcal/mol (38029.5395 without restraints) Performing minimization step: 207. Total energy = 37929.1426 kcal/mol (37906.8886 without restraints) Performing minimization step: 208. Total energy = 37807.5820 kcal/mol (37785.4733 without restraints) Performing minimization step: 209. Total energy = 37687.2406 kcal/mol (37665.2750 without restraints) Performing minimization step: 210. Total energy = 37568.1020 kcal/mol (37546.2776 without restraints) Performing minimization step: 211. Total energy = 37450.1491 kcal/mol (37428.4637 without restraints) Performing minimization step: 212. Total energy = 37333.3651 kcal/mol (37311.8170 without restraints) Performing minimization step: 213. Total energy = 37217.7342 kcal/mol (37196.3213 without restraints) Performing minimization step: 214. Total energy = 37103.2399 kcal/mol (37081.9605 without restraints) Performing minimization step: 215. Total energy = 36989.8664 kcal/mol (36968.7185 without restraints) Performing minimization step: 216. Total energy = 36877.5985 kcal/mol (36856.5805 without restraints) Performing minimization step: 217. Total energy = 36766.4205 kcal/mol (36745.5304 without restraints) Performing minimization step: 218. Total energy = 36656.3174 kcal/mol (36635.5535 without restraints) Performing minimization step: 219. Total energy = 36547.2745 kcal/mol (36526.6350 without restraints) Performing minimization step: 220. Total energy = 36439.2770 kcal/mol (36418.7603 without restraints) Performing minimization step: 221. Total energy = 36332.3104 kcal/mol (36311.9146 without restraints) Performing minimization step: 222. Total energy = 36226.3607 kcal/mol (36206.0844 without restraints) Performing minimization step: 223. Total energy = 36121.4135 kcal/mol (36101.2549 without restraints) Performing minimization step: 224. Total energy = 36017.4559 kcal/mol (35997.4135 without restraints) Performing minimization step: 225. Total energy = 35914.4732 kcal/mol (35894.5453 without restraints) Performing minimization step: 226. Total energy = 35812.4525 kcal/mol (35792.6376 without restraints) Performing minimization step: 227. Total energy = 35711.3806 kcal/mol (35691.6771 without restraints) Performing minimization step: 228. Total energy = 35611.2446 kcal/mol (35591.6510 without restraints) Performing minimization step: 229. Total energy = 35512.0315 kcal/mol (35492.5462 without restraints) Performing minimization step: 230. Total energy = 35413.7286 kcal/mol (35394.3503 without restraints) Performing minimization step: 231. Total energy = 35316.3240 kcal/mol (35297.0514 without restraints) Performing minimization step: 232. Total energy = 35219.8055 kcal/mol (35200.6368 without restraints) Performing minimization step: 233. Total energy = 35124.1605 kcal/mol (35105.0944 without restraints) Performing minimization step: 234. Total energy = 35029.3773 kcal/mol (35010.4126 without restraints) Performing minimization step: 235. Total energy = 34935.4447 kcal/mol (34916.5799 without restraints) Performing minimization step: 236. Total energy = 34842.3508 kcal/mol (34823.5846 without restraints) Performing minimization step: 237. Total energy = 34750.0844 kcal/mol (34731.4154 without restraints) Performing minimization step: 238. Total energy = 34658.6345 kcal/mol (34640.0614 without restraints) Performing minimization step: 239. Total energy = 34567.9894 kcal/mol (34549.5110 without restraints) Performing minimization step: 240. Total energy = 34478.1388 kcal/mol (34459.7537 without restraints) Performing minimization step: 241. Total energy = 34389.0717 kcal/mol (34370.7788 without restraints) Performing minimization step: 242. Total energy = 34300.7789 kcal/mol (34282.5768 without restraints) Performing minimization step: 243. Total energy = 34213.2484 kcal/mol (34195.1360 without restraints) Performing minimization step: 244. Total energy = 34126.4701 kcal/mol (34108.4463 without restraints) Performing minimization step: 245. Total energy = 34040.4341 kcal/mol (34022.4974 without restraints) Performing minimization step: 246. Total energy = 33955.1310 kcal/mol (33937.2806 without restraints) Performing minimization step: 247. Total energy = 33870.5511 kcal/mol (33852.7856 without restraints) Performing minimization step: 248. Total energy = 33786.6841 kcal/mol (33769.0025 without restraints) Performing minimization step: 249. Total energy = 33703.5208 kcal/mol (33685.9220 without restraints) Performing minimization step: 250. Total energy = 33621.0520 kcal/mol (33603.5348 without restraints) Performing minimization step: 251. Total energy = 33539.2687 kcal/mol (33521.8322 without restraints) Performing minimization step: 252. Total energy = 33458.1612 kcal/mol (33440.8041 without restraints) Performing minimization step: 253. Total energy = 33377.7208 kcal/mol (33360.4423 without restraints) Performing minimization step: 254. Total energy = 33297.9388 kcal/mol (33280.7378 without restraints) Performing minimization step: 255. Total energy = 33218.8066 kcal/mol (33201.6820 without restraints) Performing minimization step: 256. Total energy = 33140.3155 kcal/mol (33123.2663 without restraints) Performing minimization step: 257. Total energy = 33062.4571 kcal/mol (33045.4824 without restraints) Performing minimization step: 258. Total energy = 32985.2233 kcal/mol (32968.3221 without restraints) Performing minimization step: 259. Total energy = 32908.6054 kcal/mol (32891.7766 without restraints) Performing minimization step: 260. Total energy = 32832.5956 kcal/mol (32815.8385 without restraints) Performing minimization step: 261. Total energy = 32757.1863 kcal/mol (32740.4997 without restraints) Performing minimization step: 262. Total energy = 32682.3690 kcal/mol (32665.7523 without restraints) Performing minimization step: 263. Total energy = 32608.1361 kcal/mol (32591.5882 without restraints) Performing minimization step: 264. Total energy = 32534.4807 kcal/mol (32518.0008 without restraints) Performing minimization step: 265. Total energy = 32461.3948 kcal/mol (32444.9819 without restraints) Performing minimization step: 266. Total energy = 32388.8711 kcal/mol (32372.5244 without restraints) Performing minimization step: 267. Total energy = 32316.9022 kcal/mol (32300.6209 without restraints) Performing minimization step: 268. Total energy = 32245.4810 kcal/mol (32229.2643 without restraints) Performing minimization step: 269. Total energy = 32174.6005 kcal/mol (32158.4475 without restraints) Performing minimization step: 270. Total energy = 32104.2537 kcal/mol (32088.1635 without restraints) Performing minimization step: 271. Total energy = 32034.4339 kcal/mol (32018.4058 without restraints) Performing minimization step: 272. Total energy = 31965.1339 kcal/mol (31949.1671 without restraints) Performing minimization step: 273. Total energy = 31896.3475 kcal/mol (31880.4412 without restraints) Performing minimization step: 274. Total energy = 31828.0676 kcal/mol (31812.2211 without restraints) Performing minimization step: 275. Total energy = 31760.2881 kcal/mol (31744.5006 without restraints) Performing minimization step: 276. Total energy = 31693.0027 kcal/mol (31677.2734 without restraints) Performing minimization step: 277. Total energy = 31626.2056 kcal/mol (31610.5339 without restraints) Performing minimization step: 278. Total energy = 31559.8888 kcal/mol (31544.2737 without restraints) Performing minimization step: 279. Total energy = 31494.0477 kcal/mol (31478.4887 without restraints) Performing minimization step: 280. Total energy = 31428.6760 kcal/mol (31413.1724 without restraints) Performing minimization step: 281. Total energy = 31363.7677 kcal/mol (31348.3189 without restraints) Performing minimization step: 282. Total energy = 31299.3169 kcal/mol (31283.9220 without restraints) Performing minimization step: 283. Total energy = 31235.3179 kcal/mol (31219.9764 without restraints) Performing minimization step: 284. Total energy = 31171.7654 kcal/mol (31156.4765 without restraints) Performing minimization step: 285. Total energy = 31108.6527 kcal/mol (31093.4158 without restraints) Performing minimization step: 286. Total energy = 31045.9753 kcal/mol (31030.7898 without restraints) Performing minimization step: 287. Total energy = 30983.7275 kcal/mol (30968.5926 without restraints) Performing minimization step: 288. Total energy = 30921.9039 kcal/mol (30906.8192 without restraints) Performing minimization step: 289. Total energy = 30860.4992 kcal/mol (30845.4639 without restraints) Performing minimization step: 290. Total energy = 30799.5085 kcal/mol (30784.5221 without restraints) Performing minimization step: 291. Total energy = 30738.9263 kcal/mol (30723.9883 without restraints) Performing minimization step: 292. Total energy = 30678.7479 kcal/mol (30663.8575 without restraints) Performing minimization step: 293. Total energy = 30618.9679 kcal/mol (30604.1246 without restraints) Performing minimization step: 294. Total energy = 30559.5815 kcal/mol (30544.7847 without restraints) Performing minimization step: 295. Total energy = 30500.5841 kcal/mol (30485.8333 without restraints) Performing minimization step: 296. Total energy = 30441.9706 kcal/mol (30427.2652 without restraints) Performing minimization step: 297. Total energy = 30383.7363 kcal/mol (30369.0758 without restraints) Performing minimization step: 298. Total energy = 30325.8769 kcal/mol (30311.2608 without restraints) Performing minimization step: 299. Total energy = 30268.3875 kcal/mol (30253.8151 without restraints) Performing minimization step: 300. Total energy = 30211.2638 kcal/mol (30196.7346 without restraints) Writing PDB file: /home/ubuntu/rna-tools/rna_tools/tools/webserver-engine/media/jobs/b826130c/tmp/C15MA2_refx/C15MA2_refx.pdb ...Done. Performing minimization step: 301. Total energy = 30154.5015 kcal/mol (30140.0151 without restraints) Performing minimization step: 302. Total energy = 30098.0952 kcal/mol (30083.6510 without restraints) Performing minimization step: 303. Total energy = 30042.0421 kcal/mol (30027.6396 without restraints) Performing minimization step: 304. Total energy = 29986.3374 kcal/mol (29971.9762 without restraints) Performing minimization step: 305. Total energy = 29930.9767 kcal/mol (29916.6562 without restraints) Performing minimization step: 306. Total energy = 29875.9560 kcal/mol (29861.6758 without restraints) Performing minimization step: 307. Total energy = 29821.2712 kcal/mol (29807.0308 without restraints) Performing minimization step: 308. Total energy = 29766.9183 kcal/mol (29752.7172 without restraints) Performing minimization step: 309. Total energy = 29712.8937 kcal/mol (29698.7316 without restraints) Performing minimization step: 310. Total energy = 29659.1929 kcal/mol (29645.0690 without restraints) Performing minimization step: 311. Total energy = 29605.8122 kcal/mol (29591.7264 without restraints) Performing minimization step: 312. Total energy = 29552.7484 kcal/mol (29538.7002 without restraints) Performing minimization step: 313. Total energy = 29499.9971 kcal/mol (29485.9859 without restraints) Performing minimization step: 314. Total energy = 29447.5549 kcal/mol (29433.5802 without restraints) Performing minimization step: 315. Total energy = 29395.4179 kcal/mol (29381.4796 without restraints) Performing minimization step: 316. Total energy = 29343.5827 kcal/mol (29329.6803 without restraints) Performing minimization step: 317. Total energy = 29292.0461 kcal/mol (29278.1790 without restraints) Performing minimization step: 318. Total energy = 29240.8046 kcal/mol (29226.9726 without restraints) Performing minimization step: 319. Total energy = 29189.8546 kcal/mol (29176.0573 without restraints) Performing minimization step: 320. Total energy = 29139.1926 kcal/mol (29125.4293 without restraints) Performing minimization step: 321. Total energy = 29088.8152 kcal/mol (29075.0858 without restraints) Performing minimization step: 322. Total energy = 29038.7193 kcal/mol (29025.0234 without restraints) Performing minimization step: 323. Total energy = 28988.9019 kcal/mol (28975.2390 without restraints) Performing minimization step: 324. Total energy = 28939.3598 kcal/mol (28925.7299 without restraints) Performing minimization step: 325. Total energy = 28890.0899 kcal/mol (28876.4921 without restraints) Performing minimization step: 326. Total energy = 28841.0884 kcal/mol (28827.5226 without restraints) Performing minimization step: 327. Total energy = 28792.3529 kcal/mol (28778.8188 without restraints) Performing minimization step: 328. Total energy = 28743.8802 kcal/mol (28730.3773 without restraints) Performing minimization step: 329. Total energy = 28695.6674 kcal/mol (28682.1955 without restraints) Performing minimization step: 330. Total energy = 28647.7118 kcal/mol (28634.2705 without restraints) Performing minimization step: 331. Total energy = 28600.0103 kcal/mol (28586.5992 without restraints) Performing minimization step: 332. Total energy = 28552.5599 kcal/mol (28539.1787 without restraints) Performing minimization step: 333. Total energy = 28505.3580 kcal/mol (28492.0065 without restraints) Performing minimization step: 334. Total energy = 28458.4022 kcal/mol (28445.0799 without restraints) Performing minimization step: 335. Total energy = 28411.6892 kcal/mol (28398.3959 without restraints) Performing minimization step: 336. Total energy = 28365.2165 kcal/mol (28351.9519 without restraints) Performing minimization step: 337. Total energy = 28318.9815 kcal/mol (28305.7451 without restraints) Performing minimization step: 338. Total energy = 28272.9822 kcal/mol (28259.7740 without restraints) Performing minimization step: 339. Total energy = 28227.2151 kcal/mol (28214.0348 without restraints) Performing minimization step: 340. Total energy = 28181.6777 kcal/mol (28168.5246 without restraints) Performing minimization step: 341. Total energy = 28136.3679 kcal/mol (28123.2421 without restraints) Performing minimization step: 342. Total energy = 28091.2834 kcal/mol (28078.1844 without restraints) Performing minimization step: 343. Total energy = 28046.4218 kcal/mol (28033.3496 without restraints) Performing minimization step: 344. Total energy = 28001.7805 kcal/mol (27988.7345 without restraints) Performing minimization step: 345. Total energy = 27957.3574 kcal/mol (27944.3375 without restraints) Performing minimization step: 346. Total energy = 27913.1498 kcal/mol (27900.1558 without restraints) Performing minimization step: 347. Total energy = 27869.1557 kcal/mol (27856.1871 without restraints) Performing minimization step: 348. Total energy = 27825.3729 kcal/mol (27812.4296 without restraints) Performing minimization step: 349. Total energy = 27781.7992 kcal/mol (27768.8809 without restraints) Performing minimization step: 350. Total energy = 27738.4321 kcal/mol (27725.5385 without restraints) Performing minimization step: 351. Total energy = 27695.2690 kcal/mol (27682.3999 without restraints) Performing minimization step: 352. Total energy = 27652.3083 kcal/mol (27639.4635 without restraints) Performing minimization step: 353. Total energy = 27609.5482 kcal/mol (27596.7274 without restraints) Performing minimization step: 354. Total energy = 27566.9863 kcal/mol (27554.1893 without restraints) Performing minimization step: 355. Total energy = 27524.6207 kcal/mol (27511.8472 without restraints) Performing minimization step: 356. Total energy = 27482.4498 kcal/mol (27469.6996 without restraints) Performing minimization step: 357. Total energy = 27440.4710 kcal/mol (27427.7439 without restraints) Performing minimization step: 358. Total energy = 27398.6826 kcal/mol (27385.9783 without restraints) Performing minimization step: 359. Total energy = 27357.0826 kcal/mol (27344.4009 without restraints) Performing minimization step: 360. Total energy = 27315.6691 kcal/mol (27303.0098 without restraints) Performing minimization step: 361. Total energy = 27274.4405 kcal/mol (27261.8033 without restraints) Performing minimization step: 362. Total energy = 27233.3943 kcal/mol (27220.7791 without restraints) Performing minimization step: 363. Total energy = 27192.5295 kcal/mol (27179.9361 without restraints) Performing minimization step: 364. Total energy = 27151.8443 kcal/mol (27139.2725 without restraints) Performing minimization step: 365. Total energy = 27111.3362 kcal/mol (27098.7857 without restraints) Performing minimization step: 366. Total energy = 27071.0036 kcal/mol (27058.4743 without restraints) Performing minimization step: 367. Total energy = 27030.8451 kcal/mol (27018.3367 without restraints) Performing minimization step: 368. Total energy = 26990.8587 kcal/mol (26978.3710 without restraints) Performing minimization step: 369. Total energy = 26951.0426 kcal/mol (26938.5754 without restraints) Performing minimization step: 370. Total energy = 26911.3957 kcal/mol (26898.9489 without restraints) Performing minimization step: 371. Total energy = 26871.9163 kcal/mol (26859.4897 without restraints) Performing minimization step: 372. Total energy = 26832.6032 kcal/mol (26820.1966 without restraints) Performing minimization step: 373. Total energy = 26793.4534 kcal/mol (26781.0666 without restraints) Performing minimization step: 374. Total energy = 26754.4673 kcal/mol (26742.1004 without restraints) Performing minimization step: 375. Total energy = 26715.6417 kcal/mol (26703.2941 without restraints) Performing minimization step: 376. Total energy = 26676.9757 kcal/mol (26664.6473 without restraints) Performing minimization step: 377. Total energy = 26638.4676 kcal/mol (26626.1583 without restraints) Performing minimization step: 378. Total energy = 26600.1163 kcal/mol (26587.8260 without restraints) Performing minimization step: 379. Total energy = 26561.9201 kcal/mol (26549.6485 without restraints) Performing minimization step: 380. Total energy = 26523.8775 kcal/mol (26511.6245 without restraints) Performing minimization step: 381. Total energy = 26485.9874 kcal/mol (26473.7528 without restraints) Performing minimization step: 382. Total energy = 26448.2481 kcal/mol (26436.0318 without restraints) Performing minimization step: 383. Total energy = 26410.6585 kcal/mol (26398.4603 without restraints) Performing minimization step: 384. Total energy = 26373.2176 kcal/mol (26361.0374 without restraints) Performing minimization step: 385. Total energy = 26335.9225 kcal/mol (26323.7600 without restraints) Performing minimization step: 386. Total energy = 26298.7733 kcal/mol (26286.6285 without restraints) Performing minimization step: 387. Total energy = 26261.7684 kcal/mol (26249.6410 without restraints) Performing minimization step: 388. Total energy = 26224.9065 kcal/mol (26212.7965 without restraints) Performing minimization step: 389. Total energy = 26188.1863 kcal/mol (26176.0935 without restraints) Performing minimization step: 390. Total energy = 26151.6064 kcal/mol (26139.5307 without restraints) Performing minimization step: 391. Total energy = 26115.1661 kcal/mol (26103.1076 without restraints) Performing minimization step: 392. Total energy = 26078.8642 kcal/mol (26066.8223 without restraints) Performing minimization step: 393. Total energy = 26042.6989 kcal/mol (26030.6735 without restraints) Performing minimization step: 394. Total energy = 26006.6689 kcal/mol (25994.6600 without restraints) Performing minimization step: 395. Total energy = 25970.7735 kcal/mol (25958.7810 without restraints) Performing minimization step: 396. Total energy = 25935.0112 kcal/mol (25923.0349 without restraints) Performing minimization step: 397. Total energy = 25899.3812 kcal/mol (25887.4212 without restraints) Performing minimization step: 398. Total energy = 25863.8823 kcal/mol (25851.9381 without restraints) Performing minimization step: 399. Total energy = 25828.5133 kcal/mol (25816.5849 without restraints) Performing minimization step: 400. Total energy = 25793.2731 kcal/mol (25781.3605 without restraints) Writing PDB file: /home/ubuntu/rna-tools/rna_tools/tools/webserver-engine/media/jobs/b826130c/tmp/C15MA2_refx/C15MA2_refx.pdb ...Done. Performing minimization step: 401. Total energy = 25758.1606 kcal/mol (25746.2635 without restraints) Performing minimization step: 402. Total energy = 25723.1747 kcal/mol (25711.2931 without restraints) Performing minimization step: 403. Total energy = 25688.3148 kcal/mol (25676.4487 without restraints) Performing minimization step: 404. Total energy = 25653.5799 kcal/mol (25641.7292 without restraints) Performing minimization step: 405. Total energy = 25618.9687 kcal/mol (25607.1329 without restraints) Performing minimization step: 406. Total energy = 25584.4796 kcal/mol (25572.6588 without restraints) Performing minimization step: 407. Total energy = 25550.1124 kcal/mol (25538.3064 without restraints) Performing minimization step: 408. Total energy = 25515.8660 kcal/mol (25504.0750 without restraints) Performing minimization step: 409. Total energy = 25481.7395 kcal/mol (25469.9630 without restraints) Performing minimization step: 410. Total energy = 25447.7315 kcal/mol (25435.9695 without restraints) Performing minimization step: 411. Total energy = 25413.8414 kcal/mol (25402.0939 without restraints) Performing minimization step: 412. Total energy = 25380.0683 kcal/mol (25368.3351 without restraints) Performing minimization step: 413. Total energy = 25346.4108 kcal/mol (25334.6918 without restraints) Performing minimization step: 414. Total energy = 25312.8686 kcal/mol (25301.1638 without restraints) Performing minimization step: 415. Total energy = 25279.4404 kcal/mol (25267.7495 without restraints) Performing minimization step: 416. Total energy = 25246.1253 kcal/mol (25234.4485 without restraints) Performing minimization step: 417. Total energy = 25212.9229 kcal/mol (25201.2598 without restraints) Performing minimization step: 418. Total energy = 25179.8323 kcal/mol (25168.1830 without restraints) Performing minimization step: 419. Total energy = 25146.8517 kcal/mol (25135.2160 without restraints) Performing minimization step: 420. Total energy = 25113.9813 kcal/mol (25102.3591 without restraints) Performing minimization step: 421. Total energy = 25081.2203 kcal/mol (25069.6116 without restraints) Performing minimization step: 422. Total energy = 25048.5685 kcal/mol (25036.9732 without restraints) Performing minimization step: 423. Total energy = 25016.0234 kcal/mol (25004.4413 without restraints) Performing minimization step: 424. Total energy = 24983.5842 kcal/mol (24972.0152 without restraints) Performing minimization step: 425. Total energy = 24951.2514 kcal/mol (24939.6955 without restraints) Performing minimization step: 426. Total energy = 24919.0237 kcal/mol (24907.4807 without restraints) Performing minimization step: 427. Total energy = 24886.8998 kcal/mol (24875.3697 without restraints) Performing minimization step: 428. Total energy = 24854.8799 kcal/mol (24843.3626 without restraints) Performing minimization step: 429. Total energy = 24822.9629 kcal/mol (24811.4584 without restraints) Performing minimization step: 430. Total energy = 24791.1483 kcal/mol (24779.6563 without restraints) Performing minimization step: 431. Total energy = 24759.4346 kcal/mol (24747.9550 without restraints) Performing minimization step: 432. Total energy = 24727.8216 kcal/mol (24716.3547 without restraints) Performing minimization step: 433. Total energy = 24696.3086 kcal/mol (24684.8541 without restraints) Performing minimization step: 434. Total energy = 24664.8953 kcal/mol (24653.4531 without restraints) Performing minimization step: 435. Total energy = 24633.5803 kcal/mol (24622.1504 without restraints) Performing minimization step: 436. Total energy = 24602.3635 kcal/mol (24590.9457 without restraints) Performing minimization step: 437. Total energy = 24571.2435 kcal/mol (24559.8378 without restraints) Performing minimization step: 438. Total energy = 24540.2202 kcal/mol (24528.8263 without restraints) Performing minimization step: 439. Total energy = 24509.2927 kcal/mol (24497.9110 without restraints) Performing minimization step: 440. Total energy = 24478.4605 kcal/mol (24467.0905 without restraints) Performing minimization step: 441. Total energy = 24447.7230 kcal/mol (24436.3648 without restraints) Performing minimization step: 442. Total energy = 24417.0792 kcal/mol (24405.7327 without restraints) Performing minimization step: 443. Total energy = 24386.5289 kcal/mol (24375.1939 without restraints) Performing minimization step: 444. Total energy = 24356.0710 kcal/mol (24344.7476 without restraints) Performing minimization step: 445. Total energy = 24325.7049 kcal/mol (24314.3931 without restraints) Performing minimization step: 446. Total energy = 24295.4306 kcal/mol (24284.1302 without restraints) Performing minimization step: 447. Total energy = 24265.2481 kcal/mol (24253.9590 without restraints) Performing minimization step: 448. Total energy = 24235.1554 kcal/mol (24223.8777 without restraints) Performing minimization step: 449. Total energy = 24205.1527 kcal/mol (24193.8861 without restraints) Performing minimization step: 450. Total energy = 24175.2387 kcal/mol (24163.9832 without restraints) Performing minimization step: 451. Total energy = 24145.4135 kcal/mol (24134.1691 without restraints) Performing minimization step: 452. Total energy = 24115.6758 kcal/mol (24104.4424 without restraints) Performing minimization step: 453. Total energy = 24086.0266 kcal/mol (24074.8043 without restraints) Performing minimization step: 454. Total energy = 24056.4640 kcal/mol (24045.2524 without restraints) Performing minimization step: 455. Total energy = 24026.9877 kcal/mol (24015.7870 without restraints) Performing minimization step: 456. Total energy = 23997.5974 kcal/mol (23986.4075 without restraints) Performing minimization step: 457. Total energy = 23968.2919 kcal/mol (23957.1125 without restraints) Performing minimization step: 458. Total energy = 23939.0702 kcal/mol (23927.9016 without restraints) Performing minimization step: 459. Total energy = 23909.9343 kcal/mol (23898.7766 without restraints) Performing minimization step: 460. Total energy = 23880.8820 kcal/mol (23869.7346 without restraints) Performing minimization step: 461. Total energy = 23851.9131 kcal/mol (23840.7761 without restraints) Performing minimization step: 462. Total energy = 23823.0265 kcal/mol (23811.9000 without restraints) Performing minimization step: 463. Total energy = 23794.2228 kcal/mol (23783.1066 without restraints) Performing minimization step: 464. Total energy = 23765.5007 kcal/mol (23754.3949 without restraints) Performing minimization step: 465. Total energy = 23736.8602 kcal/mol (23725.7645 without restraints) Performing minimization step: 466. Total energy = 23708.3007 kcal/mol (23697.2155 without restraints) Performing minimization step: 467. Total energy = 23679.8215 kcal/mol (23668.7462 without restraints) Performing minimization step: 468. Total energy = 23651.4218 kcal/mol (23640.3566 without restraints) Performing minimization step: 469. Total energy = 23623.1016 kcal/mol (23612.0466 without restraints) Performing minimization step: 470. Total energy = 23594.8608 kcal/mol (23583.8156 without restraints) Performing minimization step: 471. Total energy = 23566.6983 kcal/mol (23555.6631 without restraints) Performing minimization step: 472. Total energy = 23538.6140 kcal/mol (23527.5886 without restraints) Performing minimization step: 473. Total energy = 23510.6070 kcal/mol (23499.5915 without restraints) Performing minimization step: 474. Total energy = 23482.6776 kcal/mol (23471.6718 without restraints) Performing minimization step: 475. Total energy = 23454.8247 kcal/mol (23443.8287 without restraints) Performing minimization step: 476. Total energy = 23427.0483 kcal/mol (23416.0619 without restraints) Performing minimization step: 477. Total energy = 23399.3474 kcal/mol (23388.3706 without restraints) Performing minimization step: 478. Total energy = 23371.7224 kcal/mol (23360.7554 without restraints) Performing minimization step: 479. Total energy = 23344.1734 kcal/mol (23333.2157 without restraints) Performing minimization step: 480. Total energy = 23316.6980 kcal/mol (23305.7499 without restraints) Performing minimization step: 481. Total energy = 23289.2968 kcal/mol (23278.3583 without restraints) Performing minimization step: 482. Total energy = 23261.9698 kcal/mol (23251.0405 without restraints) Performing minimization step: 483. Total energy = 23234.7162 kcal/mol (23223.7964 without restraints) Performing minimization step: 484. Total energy = 23207.5355 kcal/mol (23196.6250 without restraints) Performing minimization step: 485. Total energy = 23180.4279 kcal/mol (23169.5266 without restraints) Performing minimization step: 486. Total energy = 23153.3926 kcal/mol (23142.5007 without restraints) Performing minimization step: 487. Total energy = 23126.4293 kcal/mol (23115.5465 without restraints) Performing minimization step: 488. Total energy = 23099.5374 kcal/mol (23088.6637 without restraints) Performing minimization step: 489. Total energy = 23072.7169 kcal/mol (23061.8524 without restraints) Performing minimization step: 490. Total energy = 23045.9674 kcal/mol (23035.1118 without restraints) Performing minimization step: 491. Total energy = 23019.2882 kcal/mol (23008.4417 without restraints) Performing minimization step: 492. Total energy = 22992.6792 kcal/mol (22981.8418 without restraints) Performing minimization step: 493. Total energy = 22966.1408 kcal/mol (22955.3123 without restraints) Performing minimization step: 494. Total energy = 22939.6708 kcal/mol (22928.8512 without restraints) Performing minimization step: 495. Total energy = 22913.2702 kcal/mol (22902.4594 without restraints) Performing minimization step: 496. Total energy = 22886.9385 kcal/mol (22876.1365 without restraints) Performing minimization step: 497. Total energy = 22860.6751 kcal/mol (22849.8819 without restraints) Performing minimization step: 498. Total energy = 22834.4795 kcal/mol (22823.6949 without restraints) Performing minimization step: 499. Total energy = 22808.3518 kcal/mol (22797.5760 without restraints) Performing minimization step: 500. Total energy = 22782.2915 kcal/mol (22771.5245 without restraints) Writing PDB file: /home/ubuntu/rna-tools/rna_tools/tools/webserver-engine/media/jobs/b826130c/tmp/C15MA2_refx/C15MA2_refx.pdb ...Done. Performing minimization step: 501. Total energy = 22756.2984 kcal/mol (22745.5400 without restraints) Performing minimization step: 502. Total energy = 22730.3721 kcal/mol (22719.6222 without restraints) Performing minimization step: 503. Total energy = 22704.5119 kcal/mol (22693.7706 without restraints) Performing minimization step: 504. Total energy = 22678.7176 kcal/mol (22667.9849 without restraints) Performing minimization step: 505. Total energy = 22652.9890 kcal/mol (22642.2645 without restraints) Performing minimization step: 506. Total energy = 22627.3264 kcal/mol (22616.6105 without restraints) Performing minimization step: 507. Total energy = 22601.7292 kcal/mol (22591.0218 without restraints) Performing minimization step: 508. Total energy = 22576.1965 kcal/mol (22565.4975 without restraints) Performing minimization step: 509. Total energy = 22550.7283 kcal/mol (22540.0374 without restraints) Performing minimization step: 510. Total energy = 22525.3246 kcal/mol (22514.6423 without restraints) Performing minimization step: 511. Total energy = 22499.9848 kcal/mol (22489.3107 without restraints) Performing minimization step: 512. Total energy = 22474.7088 kcal/mol (22464.0430 without restraints) Performing minimization step: 513. Total energy = 22449.4965 kcal/mol (22438.8387 without restraints) Performing minimization step: 514. Total energy = 22424.3471 kcal/mol (22413.6976 without restraints) Performing minimization step: 515. Total energy = 22399.2606 kcal/mol (22388.6193 without restraints) Performing minimization step: 516. Total energy = 22374.2365 kcal/mol (22363.6036 without restraints) Performing minimization step: 517. Total energy = 22349.2752 kcal/mol (22338.6504 without restraints) Performing minimization step: 518. Total energy = 22324.3760 kcal/mol (22313.7590 without restraints) Performing minimization step: 519. Total energy = 22299.5379 kcal/mol (22288.9289 without restraints) Performing minimization step: 520. Total energy = 22274.7612 kcal/mol (22264.1602 without restraints) Performing minimization step: 521. Total energy = 22250.0452 kcal/mol (22239.4522 without restraints) Performing minimization step: 522. Total energy = 22225.3906 kcal/mol (22214.8055 without restraints) Performing minimization step: 523. Total energy = 22200.7968 kcal/mol (22190.2196 without restraints) Performing minimization step: 524. Total energy = 22176.2633 kcal/mol (22165.6941 without restraints) Performing minimization step: 525. Total energy = 22151.7898 kcal/mol (22141.2284 without restraints) Performing minimization step: 526. Total energy = 22127.3762 kcal/mol (22116.8226 without restraints) Performing minimization step: 527. Total energy = 22103.0220 kcal/mol (22092.4761 without restraints) Performing minimization step: 528. Total energy = 22078.7275 kcal/mol (22068.1894 without restraints) Performing minimization step: 529. Total energy = 22054.4915 kcal/mol (22043.9611 without restraints) Performing minimization step: 530. Total energy = 22030.3149 kcal/mol (22019.7923 without restraints) Performing minimization step: 531. Total energy = 22006.1969 kcal/mol (21995.6821 without restraints) Performing minimization step: 532. Total energy = 21982.1375 kcal/mol (21971.6302 without restraints) Performing minimization step: 533. Total energy = 21958.1354 kcal/mol (21947.6358 without restraints) Performing minimization step: 534. Total energy = 21934.1916 kcal/mol (21923.6994 without restraints) Performing minimization step: 535. Total energy = 21910.3052 kcal/mol (21899.8206 without restraints) Performing minimization step: 536. Total energy = 21886.4764 kcal/mol (21875.9995 without restraints) Performing minimization step: 537. Total energy = 21862.7049 kcal/mol (21852.2354 without restraints) Performing minimization step: 538. Total energy = 21838.9906 kcal/mol (21828.5287 without restraints) Performing minimization step: 539. Total energy = 21815.3327 kcal/mol (21804.8782 without restraints) Performing minimization step: 540. Total energy = 21791.7316 kcal/mol (21781.2848 without restraints) Performing minimization step: 541. Total energy = 21768.1866 kcal/mol (21757.7470 without restraints) Performing minimization step: 542. Total energy = 21744.6973 kcal/mol (21734.2649 without restraints) Performing minimization step: 543. Total energy = 21721.2636 kcal/mol (21710.8387 without restraints) Performing minimization step: 544. Total energy = 21697.8851 kcal/mol (21687.4676 without restraints) Performing minimization step: 545. Total energy = 21674.5625 kcal/mol (21664.1525 without restraints) Performing minimization step: 546. Total energy = 21651.2955 kcal/mol (21640.8929 without restraints) Performing minimization step: 547. Total energy = 21628.0833 kcal/mol (21617.6877 without restraints) Performing minimization step: 548. Total energy = 21604.9255 kcal/mol (21594.5371 without restraints) Performing minimization step: 549. Total energy = 21581.8228 kcal/mol (21571.4416 without restraints) Performing minimization step: 550. Total energy = 21558.7740 kcal/mol (21548.4002 without restraints) Performing minimization step: 551. Total energy = 21535.7795 kcal/mol (21525.4127 without restraints) Performing minimization step: 552. Total energy = 21512.8386 kcal/mol (21502.4789 without restraints) Performing minimization step: 553. Total energy = 21489.9518 kcal/mol (21479.5993 without restraints) Performing minimization step: 554. Total energy = 21467.1180 kcal/mol (21456.7726 without restraints) Performing minimization step: 555. Total energy = 21444.3372 kcal/mol (21433.9989 without restraints) Performing minimization step: 556. Total energy = 21421.6096 kcal/mol (21411.2784 without restraints) Performing minimization step: 557. Total energy = 21398.9353 kcal/mol (21388.6110 without restraints) Performing minimization step: 558. Total energy = 21376.3136 kcal/mol (21365.9964 without restraints) Performing minimization step: 559. Total energy = 21353.7442 kcal/mol (21343.4339 without restraints) Performing minimization step: 560. Total energy = 21331.2270 kcal/mol (21320.9237 without restraints) Performing minimization step: 561. Total energy = 21308.7614 kcal/mol (21298.4649 without restraints) Performing minimization step: 562. Total energy = 21286.3483 kcal/mol (21276.0589 without restraints) Performing minimization step: 563. Total energy = 21263.9868 kcal/mol (21253.7043 without restraints) Performing minimization step: 564. Total energy = 21241.6766 kcal/mol (21231.4009 without restraints) Performing minimization step: 565. Total energy = 21219.4177 kcal/mol (21209.1489 without restraints) Performing minimization step: 566. Total energy = 21197.2098 kcal/mol (21186.9479 without restraints) Performing minimization step: 567. Total energy = 21175.0532 kcal/mol (21164.7982 without restraints) Performing minimization step: 568. Total energy = 21152.9474 kcal/mol (21142.6992 without restraints) Performing minimization step: 569. Total energy = 21130.8924 kcal/mol (21120.6509 without restraints) Performing minimization step: 570. Total energy = 21108.8875 kcal/mol (21098.6528 without restraints) Performing minimization step: 571. Total energy = 21086.9331 kcal/mol (21076.7053 without restraints) Performing minimization step: 572. Total energy = 21065.0288 kcal/mol (21054.8078 without restraints) Performing minimization step: 573. Total energy = 21043.1745 kcal/mol (21032.9601 without restraints) Performing minimization step: 574. Total energy = 21021.3695 kcal/mol (21011.1618 without restraints) Performing minimization step: 575. Total energy = 20999.6143 kcal/mol (20989.4129 without restraints) Performing minimization step: 576. Total energy = 20977.9086 kcal/mol (20967.7142 without restraints) Performing minimization step: 577. Total energy = 20956.2516 kcal/mol (20946.0638 without restraints) Performing minimization step: 578. Total energy = 20934.6437 kcal/mol (20924.4625 without restraints) Performing minimization step: 579. Total energy = 20913.0847 kcal/mol (20902.9101 without restraints) Performing minimization step: 580. Total energy = 20891.5738 kcal/mol (20881.4058 without restraints) Performing minimization step: 581. Total energy = 20870.1123 kcal/mol (20859.9508 without restraints) Performing minimization step: 582. Total energy = 20848.6989 kcal/mol (20838.5440 without restraints) Performing minimization step: 583. Total energy = 20827.3338 kcal/mol (20817.1855 without restraints) Performing minimization step: 584. Total energy = 20806.0166 kcal/mol (20795.8748 without restraints) Performing minimization step: 585. Total energy = 20784.7475 kcal/mol (20774.6121 without restraints) Performing minimization step: 586. Total energy = 20763.5256 kcal/mol (20753.3967 without restraints) Performing minimization step: 587. Total energy = 20742.3513 kcal/mol (20732.2288 without restraints) Performing minimization step: 588. Total energy = 20721.2245 kcal/mol (20711.1084 without restraints) Performing minimization step: 589. Total energy = 20700.1450 kcal/mol (20690.0354 without restraints) Performing minimization step: 590. Total energy = 20679.1121 kcal/mol (20669.0090 without restraints) Performing minimization step: 591. Total energy = 20658.1267 kcal/mol (20648.0299 without restraints) Performing minimization step: 592. Total energy = 20637.1877 kcal/mol (20627.0972 without restraints) Performing minimization step: 593. Total energy = 20616.2948 kcal/mol (20606.2106 without restraints) Performing minimization step: 594. Total energy = 20595.4484 kcal/mol (20585.3705 without restraints) Performing minimization step: 595. Total energy = 20574.6480 kcal/mol (20564.5765 without restraints) Performing minimization step: 596. Total energy = 20553.8942 kcal/mol (20543.8290 without restraints) Performing minimization step: 597. Total energy = 20533.1870 kcal/mol (20523.1282 without restraints) Performing minimization step: 598. Total energy = 20512.5250 kcal/mol (20502.4723 without restraints) Performing minimization step: 599. Total energy = 20491.9084 kcal/mol (20481.8619 without restraints) Performing minimization step: 600. Total energy = 20471.3374 kcal/mol (20461.2973 without restraints) Writing PDB file: /home/ubuntu/rna-tools/rna_tools/tools/webserver-engine/media/jobs/b826130c/tmp/C15MA2_refx/C15MA2_refx.pdb ...Done. Performing minimization step: 601. Total energy = 20450.8121 kcal/mol (20440.7781 without restraints) Performing minimization step: 602. Total energy = 20430.3313 kcal/mol (20420.3035 without restraints) Performing minimization step: 603. Total energy = 20409.8964 kcal/mol (20399.8748 without restraints) Performing minimization step: 604. Total energy = 20389.5061 kcal/mol (20379.4907 without restraints) Performing minimization step: 605. Total energy = 20369.1606 kcal/mol (20359.1513 without restraints) Performing minimization step: 606. Total energy = 20348.8597 kcal/mol (20338.8566 without restraints) Performing minimization step: 607. Total energy = 20328.6029 kcal/mol (20318.6059 without restraints) Performing minimization step: 608. Total energy = 20308.3911 kcal/mol (20298.4002 without restraints) Performing minimization step: 609. Total energy = 20288.2233 kcal/mol (20278.2385 without restraints) Performing minimization step: 610. Total energy = 20268.0999 kcal/mol (20258.1212 without restraints) Performing minimization step: 611. Total energy = 20248.0202 kcal/mol (20238.0475 without restraints) Performing minimization step: 612. Total energy = 20227.9841 kcal/mol (20218.0176 without restraints) Performing minimization step: 613. Total energy = 20207.9922 kcal/mol (20198.0317 without restraints) Performing minimization step: 614. Total energy = 20188.0438 kcal/mol (20178.0893 without restraints) Performing minimization step: 615. Total energy = 20168.1384 kcal/mol (20158.1899 without restraints) Performing minimization step: 616. Total energy = 20148.2762 kcal/mol (20138.3336 without restraints) Performing minimization step: 617. Total energy = 20128.4572 kcal/mol (20118.5206 without restraints) Performing minimization step: 618. Total energy = 20108.6811 kcal/mol (20098.7504 without restraints) Performing minimization step: 619. Total energy = 20088.9478 kcal/mol (20079.0231 without restraints) Performing minimization step: 620. Total energy = 20069.2569 kcal/mol (20059.3381 without restraints) Performing minimization step: 621. Total energy = 20049.6083 kcal/mol (20039.6955 without restraints) Performing minimization step: 622. Total energy = 20030.0026 kcal/mol (20020.0957 without restraints) Performing minimization step: 623. Total energy = 20010.4393 kcal/mol (20000.5383 without restraints) Performing minimization step: 624. Total energy = 19990.9183 kcal/mol (19981.0232 without restraints) Performing minimization step: 625. Total energy = 19971.4394 kcal/mol (19961.5501 without restraints) Performing minimization step: 626. Total energy = 19952.0027 kcal/mol (19942.1193 without restraints) Performing minimization step: 627. Total energy = 19932.6077 kcal/mol (19922.7301 without restraints) Performing minimization step: 628. Total energy = 19913.2542 kcal/mol (19903.3824 without restraints) Performing minimization step: 629. Total energy = 19893.9422 kcal/mol (19884.0762 without restraints) Performing minimization step: 630. Total energy = 19874.6713 kcal/mol (19864.8112 without restraints) Performing minimization step: 631. Total energy = 19855.4427 kcal/mol (19845.5883 without restraints) Performing minimization step: 632. Total energy = 19836.2548 kcal/mol (19826.4060 without restraints) Performing minimization step: 633. Total energy = 19817.1078 kcal/mol (19807.2648 without restraints) Performing minimization step: 634. Total energy = 19798.0019 kcal/mol (19788.1646 without restraints) Performing minimization step: 635. Total energy = 19778.9367 kcal/mol (19769.1052 without restraints) Performing minimization step: 636. Total energy = 19759.9120 kcal/mol (19750.0862 without restraints) Performing minimization step: 637. Total energy = 19740.9270 kcal/mol (19731.1067 without restraints) Performing minimization step: 638. Total energy = 19721.9835 kcal/mol (19712.1691 without restraints) Performing minimization step: 639. Total energy = 19703.0801 kcal/mol (19693.2714 without restraints) Performing minimization step: 640. Total energy = 19684.2173 kcal/mol (19674.4143 without restraints) Performing minimization step: 641. Total energy = 19665.3945 kcal/mol (19655.5970 without restraints) Performing minimization step: 642. Total energy = 19646.6113 kcal/mol (19636.8195 without restraints) Performing minimization step: 643. Total energy = 19627.8681 kcal/mol (19618.0822 without restraints) Performing minimization step: 644. Total energy = 19609.1644 kcal/mol (19599.3838 without restraints) Performing minimization step: 645. Total energy = 19590.5005 kcal/mol (19580.7257 without restraints) Performing minimization step: 646. Total energy = 19571.8758 kcal/mol (19562.1065 without restraints) Performing minimization step: 647. Total energy = 19553.2905 kcal/mol (19543.5267 without restraints) Performing minimization step: 648. Total energy = 19534.7438 kcal/mol (19524.9854 without restraints) Performing minimization step: 649. Total energy = 19516.2370 kcal/mol (19506.4844 without restraints) Performing minimization step: 650. Total energy = 19497.7691 kcal/mol (19488.0218 without restraints) Performing minimization step: 651. Total energy = 19479.3401 kcal/mol (19469.5984 without restraints) Performing minimization step: 652. Total energy = 19460.9494 kcal/mol (19451.2132 without restraints) Performing minimization step: 653. Total energy = 19442.5980 kcal/mol (19432.8674 without restraints) Performing minimization step: 654. Total energy = 19424.2855 kcal/mol (19414.5603 without restraints) Performing minimization step: 655. Total energy = 19406.0107 kcal/mol (19396.2910 without restraints) Performing minimization step: 656. Total energy = 19387.7752 kcal/mol (19378.0610 without restraints) Performing minimization step: 657. Total energy = 19369.5774 kcal/mol (19359.8686 without restraints) Performing minimization step: 658. Total energy = 19351.4176 kcal/mol (19341.7141 without restraints) Performing minimization step: 659. Total energy = 19333.2959 kcal/mol (19323.5980 without restraints) Performing minimization step: 660. Total energy = 19315.2116 kcal/mol (19305.5192 without restraints) Performing minimization step: 661. Total energy = 19297.1653 kcal/mol (19287.4782 without restraints) Performing minimization step: 662. Total energy = 19279.1570 kcal/mol (19269.4753 without restraints) Performing minimization step: 663. Total energy = 19261.1863 kcal/mol (19251.5100 without restraints) Performing minimization step: 664. Total energy = 19243.2534 kcal/mol (19233.5824 without restraints) Performing minimization step: 665. Total energy = 19225.3574 kcal/mol (19215.6919 without restraints) Performing minimization step: 666. Total energy = 19207.4987 kcal/mol (19197.8385 without restraints) Performing minimization step: 667. Total energy = 19189.6769 kcal/mol (19180.0220 without restraints) Performing minimization step: 668. Total energy = 19171.8919 kcal/mol (19162.2424 without restraints) Performing minimization step: 669. Total energy = 19154.1443 kcal/mol (19144.5001 without restraints) Performing minimization step: 670. Total energy = 19136.4330 kcal/mol (19126.7940 without restraints) Performing minimization step: 671. Total energy = 19118.7587 kcal/mol (19109.1250 without restraints) Performing minimization step: 672. Total energy = 19101.1211 kcal/mol (19091.4927 without restraints) Performing minimization step: 673. Total energy = 19083.5199 kcal/mol (19073.8968 without restraints) Performing minimization step: 674. Total energy = 19065.9555 kcal/mol (19056.3377 without restraints) Performing minimization step: 675. Total energy = 19048.4273 kcal/mol (19038.8147 without restraints) Performing minimization step: 676. Total energy = 19030.9356 kcal/mol (19021.3282 without restraints) Performing minimization step: 677. Total energy = 19013.4790 kcal/mol (19003.8768 without restraints) Performing minimization step: 678. Total energy = 18996.0588 kcal/mol (18986.4618 without restraints) Performing minimization step: 679. Total energy = 18978.6743 kcal/mol (18969.0825 without restraints) Performing minimization step: 680. Total energy = 18961.3259 kcal/mol (18951.7393 without restraints) Performing minimization step: 681. Total energy = 18944.0134 kcal/mol (18934.4320 without restraints) Performing minimization step: 682. Total energy = 18926.7364 kcal/mol (18917.1602 without restraints) Performing minimization step: 683. Total energy = 18909.4951 kcal/mol (18899.9242 without restraints) Performing minimization step: 684. Total energy = 18892.2895 kcal/mol (18882.7235 without restraints) Performing minimization step: 685. Total energy = 18875.1191 kcal/mol (18865.5583 without restraints) Performing minimization step: 686. Total energy = 18857.9834 kcal/mol (18848.4277 without restraints) Performing minimization step: 687. Total energy = 18840.8829 kcal/mol (18831.3326 without restraints) Performing minimization step: 688. Total energy = 18823.8177 kcal/mol (18814.2723 without restraints) Performing minimization step: 689. Total energy = 18806.7874 kcal/mol (18797.2471 without restraints) Performing minimization step: 690. Total energy = 18789.7916 kcal/mol (18780.2563 without restraints) Performing minimization step: 691. Total energy = 18772.8302 kcal/mol (18763.3001 without restraints) Performing minimization step: 692. Total energy = 18755.9037 kcal/mol (18746.3785 without restraints) Performing minimization step: 693. Total energy = 18739.0118 kcal/mol (18729.4918 without restraints) Performing minimization step: 694. Total energy = 18722.1544 kcal/mol (18712.6396 without restraints) Performing minimization step: 695. Total energy = 18705.3309 kcal/mol (18695.8208 without restraints) Performing minimization step: 696. Total energy = 18688.5408 kcal/mol (18679.0359 without restraints) Performing minimization step: 697. Total energy = 18671.7853 kcal/mol (18662.2854 without restraints) Performing minimization step: 698. Total energy = 18655.0642 kcal/mol (18645.5694 without restraints) Performing minimization step: 699. Total energy = 18638.3770 kcal/mol (18628.8871 without restraints) Performing minimization step: 700. Total energy = 18621.7235 kcal/mol (18612.2385 without restraints) Writing PDB file: /home/ubuntu/rna-tools/rna_tools/tools/webserver-engine/media/jobs/b826130c/tmp/C15MA2_refx/C15MA2_refx.pdb ...Done. Performing minimization step: 701. Total energy = 18605.1034 kcal/mol (18595.6234 without restraints) Performing minimization step: 702. Total energy = 18588.5174 kcal/mol (18579.0424 without restraints) Performing minimization step: 703. Total energy = 18571.9642 kcal/mol (18562.4940 without restraints) Performing minimization step: 704. Total energy = 18555.4453 kcal/mol (18545.9801 without restraints) Performing minimization step: 705. Total energy = 18538.9594 kcal/mol (18529.4993 without restraints) Performing minimization step: 706. Total energy = 18522.5068 kcal/mol (18513.0516 without restraints) Performing minimization step: 707. Total energy = 18506.0874 kcal/mol (18496.6370 without restraints) Performing minimization step: 708. Total energy = 18489.7009 kcal/mol (18480.2555 without restraints) Performing minimization step: 709. Total energy = 18473.3483 kcal/mol (18463.9081 without restraints) Performing minimization step: 710. Total energy = 18457.0281 kcal/mol (18447.5924 without restraints) Performing minimization step: 711. Total energy = 18440.7405 kcal/mol (18431.3097 without restraints) Performing minimization step: 712. Total energy = 18424.4855 kcal/mol (18415.0597 without restraints) Performing minimization step: 713. Total energy = 18408.2635 kcal/mol (18398.8426 without restraints) Performing minimization step: 714. Total energy = 18392.0737 kcal/mol (18382.6575 without restraints) Performing minimization step: 715. Total energy = 18375.9162 kcal/mol (18366.5049 without restraints) Performing minimization step: 716. Total energy = 18359.7911 kcal/mol (18350.3847 without restraints) Performing minimization step: 717. Total energy = 18343.6982 kcal/mol (18334.2965 without restraints) Performing minimization step: 718. Total energy = 18327.6375 kcal/mol (18318.2406 without restraints) Performing minimization step: 719. Total energy = 18311.6085 kcal/mol (18302.2164 without restraints) Performing minimization step: 720. Total energy = 18295.6119 kcal/mol (18286.2246 without restraints) Performing minimization step: 721. Total energy = 18279.6466 kcal/mol (18270.2641 without restraints) Performing minimization step: 722. Total energy = 18263.7138 kcal/mol (18254.3360 without restraints) Performing minimization step: 723. Total energy = 18247.8123 kcal/mol (18238.4392 without restraints) Performing minimization step: 724. Total energy = 18231.9433 kcal/mol (18222.5751 without restraints) Performing minimization step: 725. Total energy = 18216.1049 kcal/mol (18206.7414 without restraints) Performing minimization step: 726. Total energy = 18200.2982 kcal/mol (18190.9395 without restraints) Performing minimization step: 727. Total energy = 18184.5231 kcal/mol (18175.1691 without restraints) Performing minimization step: 728. Total energy = 18168.7793 kcal/mol (18159.4300 without restraints) Performing minimization step: 729. Total energy = 18153.0666 kcal/mol (18143.7220 without restraints) Performing minimization step: 730. Total energy = 18137.3845 kcal/mol (18128.0446 without restraints) Performing minimization step: 731. Total energy = 18121.7335 kcal/mol (18112.3983 without restraints) Performing minimization step: 732. Total energy = 18106.1128 kcal/mol (18096.7823 without restraints) Performing minimization step: 733. Total energy = 18090.5238 kcal/mol (18081.1980 without restraints) Performing minimization step: 734. Total energy = 18074.9656 kcal/mol (18065.6444 without restraints) Performing minimization step: 735. Total energy = 18059.4379 kcal/mol (18050.1213 without restraints) Performing minimization step: 736. Total energy = 18043.9411 kcal/mol (18034.6292 without restraints) Performing minimization step: 737. Total energy = 18028.4750 kcal/mol (18019.1679 without restraints) Performing minimization step: 738. Total energy = 18013.0388 kcal/mol (18003.7362 without restraints) Performing minimization step: 739. Total energy = 17997.6331 kcal/mol (17988.3352 without restraints) Performing minimization step: 740. Total energy = 17982.2571 kcal/mol (17972.9639 without restraints) Performing minimization step: 741. Total energy = 17966.9117 kcal/mol (17957.6229 without restraints) Performing minimization step: 742. Total energy = 17951.5967 kcal/mol (17942.3125 without restraints) Performing minimization step: 743. Total energy = 17936.3112 kcal/mol (17927.0316 without restraints) Performing minimization step: 744. Total energy = 17921.0561 kcal/mol (17911.7811 without restraints) Performing minimization step: 745. Total energy = 17905.8306 kcal/mol (17896.5602 without restraints) Performing minimization step: 746. Total energy = 17890.6349 kcal/mol (17881.3690 without restraints) Performing minimization step: 747. Total energy = 17875.4683 kcal/mol (17866.2070 without restraints) Performing minimization step: 748. Total energy = 17860.3321 kcal/mol (17851.0754 without restraints) Performing minimization step: 749. Total energy = 17845.2252 kcal/mol (17835.9730 without restraints) Performing minimization step: 750. Total energy = 17830.1476 kcal/mol (17820.8999 without restraints) Performing minimization step: 751. Total energy = 17815.0991 kcal/mol (17805.8559 without restraints) Performing minimization step: 752. Total energy = 17800.0801 kcal/mol (17790.8415 without restraints) Performing minimization step: 753. Total energy = 17785.0904 kcal/mol (17775.8562 without restraints) Performing minimization step: 754. Total energy = 17770.1297 kcal/mol (17760.9000 without restraints) Performing minimization step: 755. Total energy = 17755.1982 kcal/mol (17745.9728 without restraints) Performing minimization step: 756. Total energy = 17740.2952 kcal/mol (17731.0745 without restraints) Performing minimization step: 757. Total energy = 17725.4219 kcal/mol (17716.2056 without restraints) Performing minimization step: 758. Total energy = 17710.5768 kcal/mol (17701.3650 without restraints) Performing minimization step: 759. Total energy = 17695.7607 kcal/mol (17686.5533 without restraints) Performing minimization step: 760. Total energy = 17680.9729 kcal/mol (17671.7700 without restraints) Performing minimization step: 761. Total energy = 17666.2137 kcal/mol (17657.0152 without restraints) Performing minimization step: 762. Total energy = 17651.4831 kcal/mol (17642.2891 without restraints) Performing minimization step: 763. Total energy = 17636.7809 kcal/mol (17627.5913 without restraints) Performing minimization step: 764. Total energy = 17622.1071 kcal/mol (17612.9220 without restraints) Performing minimization step: 765. Total energy = 17607.4612 kcal/mol (17598.2803 without restraints) Performing minimization step: 766. Total energy = 17592.8436 kcal/mol (17583.6672 without restraints) Performing minimization step: 767. Total energy = 17578.2540 kcal/mol (17569.0819 without restraints) Performing minimization step: 768. Total energy = 17563.6929 kcal/mol (17554.5252 without restraints) Performing minimization step: 769. Total energy = 17549.1591 kcal/mol (17539.9958 without restraints) Performing minimization step: 770. Total energy = 17534.6529 kcal/mol (17525.4940 without restraints) Performing minimization step: 771. Total energy = 17520.1743 kcal/mol (17511.0197 without restraints) Performing minimization step: 772. Total energy = 17505.7235 kcal/mol (17496.5731 without restraints) Performing minimization step: 773. Total energy = 17491.3008 kcal/mol (17482.1551 without restraints) Performing minimization step: 774. Total energy = 17476.9050 kcal/mol (17467.7634 without restraints) Performing minimization step: 775. Total energy = 17462.5373 kcal/mol (17453.4001 without restraints) Performing minimization step: 776. Total energy = 17448.1968 kcal/mol (17439.0639 without restraints) Performing minimization step: 777. Total energy = 17433.8834 kcal/mol (17424.7549 without restraints) Performing minimization step: 778. Total energy = 17419.5975 kcal/mol (17410.4733 without restraints) Performing minimization step: 779. Total energy = 17405.3383 kcal/mol (17396.2183 without restraints) Performing minimization step: 780. Total energy = 17391.1063 kcal/mol (17381.9907 without restraints) Performing minimization step: 781. Total energy = 17376.9017 kcal/mol (17367.7903 without restraints) Performing minimization step: 782. Total energy = 17362.7238 kcal/mol (17353.6167 without restraints) Performing minimization step: 783. Total energy = 17348.5725 kcal/mol (17339.4696 without restraints) Performing minimization step: 784. Total energy = 17334.4482 kcal/mol (17325.3495 without restraints) Performing minimization step: 785. Total energy = 17320.3503 kcal/mol (17311.2558 without restraints) Performing minimization step: 786. Total energy = 17306.2790 kcal/mol (17297.1888 without restraints) Performing minimization step: 787. Total energy = 17292.2345 kcal/mol (17283.1486 without restraints) Performing minimization step: 788. Total energy = 17278.2173 kcal/mol (17269.1355 without restraints) Performing minimization step: 789. Total energy = 17264.2259 kcal/mol (17255.1484 without restraints) Performing minimization step: 790. Total energy = 17250.2611 kcal/mol (17241.1878 without restraints) Performing minimization step: 791. Total energy = 17236.3219 kcal/mol (17227.2528 without restraints) Performing minimization step: 792. Total energy = 17222.4089 kcal/mol (17213.3440 without restraints) Performing minimization step: 793. Total energy = 17208.5218 kcal/mol (17199.4610 without restraints) Performing minimization step: 794. Total energy = 17194.6613 kcal/mol (17185.6049 without restraints) Performing minimization step: 795. Total energy = 17180.8270 kcal/mol (17171.7746 without restraints) Performing minimization step: 796. Total energy = 17167.0184 kcal/mol (17157.9704 without restraints) Performing minimization step: 797. Total energy = 17153.2358 kcal/mol (17144.1918 without restraints) Performing minimization step: 798. Total energy = 17139.4784 kcal/mol (17130.4385 without restraints) Performing minimization step: 799. Total energy = 17125.7469 kcal/mol (17116.7111 without restraints) Performing minimization step: 800. Total energy = 17112.0411 kcal/mol (17103.0095 without restraints) Writing PDB file: /home/ubuntu/rna-tools/rna_tools/tools/webserver-engine/media/jobs/b826130c/tmp/C15MA2_refx/C15MA2_refx.pdb ...Done. Performing minimization step: 801. Total energy = 17098.3602 kcal/mol (17089.3327 without restraints) Performing minimization step: 802. Total energy = 17084.7052 kcal/mol (17075.6819 without restraints) Performing minimization step: 803. Total energy = 17071.0755 kcal/mol (17062.0562 without restraints) Performing minimization step: 804. Total energy = 17057.4718 kcal/mol (17048.4566 without restraints) Performing minimization step: 805. Total energy = 17043.8927 kcal/mol (17034.8816 without restraints) Performing minimization step: 806. Total energy = 17030.3387 kcal/mol (17021.3317 without restraints) Performing minimization step: 807. Total energy = 17016.8101 kcal/mol (17007.8073 without restraints) Performing minimization step: 808. Total energy = 17003.3066 kcal/mol (16994.3079 without restraints) Performing minimization step: 809. Total energy = 16989.8280 kcal/mol (16980.8333 without restraints) Performing minimization step: 810. Total energy = 16976.3740 kcal/mol (16967.3831 without restraints) Performing minimization step: 811. Total energy = 16962.9448 kcal/mol (16953.9582 without restraints) Performing minimization step: 812. Total energy = 16949.5406 kcal/mol (16940.5580 without restraints) Performing minimization step: 813. Total energy = 16936.1617 kcal/mol (16927.1832 without restraints) Performing minimization step: 814. Total energy = 16922.8076 kcal/mol (16913.8332 without restraints) Performing minimization step: 815. Total energy = 16909.4779 kcal/mol (16900.5074 without restraints) Performing minimization step: 816. Total energy = 16896.1722 kcal/mol (16887.2058 without restraints) Performing minimization step: 817. Total energy = 16882.8910 kcal/mol (16873.9286 without restraints) Performing minimization step: 818. Total energy = 16869.6342 kcal/mol (16860.6757 without restraints) Performing minimization step: 819. Total energy = 16856.4020 kcal/mol (16847.4477 without restraints) Performing minimization step: 820. Total energy = 16843.1936 kcal/mol (16834.2433 without restraints) Performing minimization step: 821. Total energy = 16830.0096 kcal/mol (16821.0630 without restraints) Performing minimization step: 822. Total energy = 16816.8492 kcal/mol (16807.9068 without restraints) Performing minimization step: 823. Total energy = 16803.7132 kcal/mol (16794.7747 without restraints) Performing minimization step: 824. Total energy = 16790.6009 kcal/mol (16781.6663 without restraints) Performing minimization step: 825. Total energy = 16777.5125 kcal/mol (16768.5818 without restraints) Performing minimization step: 826. Total energy = 16764.4477 kcal/mol (16755.5211 without restraints) Performing minimization step: 827. Total energy = 16751.4066 kcal/mol (16742.4840 without restraints) Performing minimization step: 828. Total energy = 16738.3894 kcal/mol (16729.4707 without restraints) Performing minimization step: 829. Total energy = 16725.3960 kcal/mol (16716.4812 without restraints) Performing minimization step: 830. Total energy = 16712.4257 kcal/mol (16703.5148 without restraints) Performing minimization step: 831. Total energy = 16699.4788 kcal/mol (16690.5718 without restraints) Performing minimization step: 832. Total energy = 16686.5558 kcal/mol (16677.6528 without restraints) Performing minimization step: 833. Total energy = 16673.6560 kcal/mol (16664.7569 without restraints) Performing minimization step: 834. Total energy = 16660.7793 kcal/mol (16651.8840 without restraints) Performing minimization step: 835. Total energy = 16647.9255 kcal/mol (16639.0340 without restraints) Performing minimization step: 836. Total energy = 16635.0952 kcal/mol (16626.2078 without restraints) Performing minimization step: 837. Total energy = 16622.2881 kcal/mol (16613.4045 without restraints) Performing minimization step: 838. Total energy = 16609.5045 kcal/mol (16600.6248 without restraints) Performing minimization step: 839. Total energy = 16596.7436 kcal/mol (16587.8677 without restraints) Performing minimization step: 840. Total energy = 16584.0055 kcal/mol (16575.1335 without restraints) Performing minimization step: 841. Total energy = 16571.2902 kcal/mol (16562.4220 without restraints) Performing minimization step: 842. Total energy = 16558.5976 kcal/mol (16549.7335 without restraints) Performing minimization step: 843. Total energy = 16545.9280 kcal/mol (16537.0673 without restraints) Performing minimization step: 844. Total energy = 16533.2805 kcal/mol (16524.4240 without restraints) Performing minimization step: 845. Total energy = 16520.6560 kcal/mol (16511.8033 without restraints) Performing minimization step: 846. Total energy = 16508.0542 kcal/mol (16499.2053 without restraints) Performing minimization step: 847. Total energy = 16495.4747 kcal/mol (16486.6296 without restraints) Performing minimization step: 848. Total energy = 16482.9176 kcal/mol (16474.0764 without restraints) Performing minimization step: 849. Total energy = 16470.3833 kcal/mol (16461.5458 without restraints) Performing minimization step: 850. Total energy = 16457.8707 kcal/mol (16449.0369 without restraints) Performing minimization step: 851. Total energy = 16445.3802 kcal/mol (16436.5501 without restraints) Performing minimization step: 852. Total energy = 16432.9122 kcal/mol (16424.0862 without restraints) Performing minimization step: 853. Total energy = 16420.4663 kcal/mol (16411.6439 without restraints) Performing minimization step: 854. Total energy = 16408.0418 kcal/mol (16399.2231 without restraints) Performing minimization step: 855. Total energy = 16395.6396 kcal/mol (16386.8247 without restraints) Performing minimization step: 856. Total energy = 16383.2592 kcal/mol (16374.4481 without restraints) Performing minimization step: 857. Total energy = 16370.9009 kcal/mol (16362.0937 without restraints) Performing minimization step: 858. Total energy = 16358.5644 kcal/mol (16349.7608 without restraints) Performing minimization step: 859. Total energy = 16346.2497 kcal/mol (16337.4497 without restraints) Performing minimization step: 860. Total energy = 16333.9566 kcal/mol (16325.1602 without restraints) Performing minimization step: 861. Total energy = 16321.6846 kcal/mol (16312.8921 without restraints) Performing minimization step: 862. Total energy = 16309.4344 kcal/mol (16300.6456 without restraints) Performing minimization step: 863. Total energy = 16297.2054 kcal/mol (16288.4204 without restraints) Performing minimization step: 864. Total energy = 16284.9979 kcal/mol (16276.2166 without restraints) Performing minimization step: 865. Total energy = 16272.8120 kcal/mol (16264.0344 without restraints) Performing minimization step: 866. Total energy = 16260.6473 kcal/mol (16251.8734 without restraints) Performing minimization step: 867. Total energy = 16248.5044 kcal/mol (16239.7341 without restraints) Performing minimization step: 868. Total energy = 16236.3826 kcal/mol (16227.6159 without restraints) Performing minimization step: 869. Total energy = 16224.2812 kcal/mol (16215.5183 without restraints) Performing minimization step: 870. Total energy = 16212.2012 kcal/mol (16203.4420 without restraints) Performing minimization step: 871. Total energy = 16200.1424 kcal/mol (16191.3869 without restraints) Performing minimization step: 872. Total energy = 16188.1046 kcal/mol (16179.3527 without restraints) Performing minimization step: 873. Total energy = 16176.0874 kcal/mol (16167.3392 without restraints) Performing minimization step: 874. Total energy = 16164.0921 kcal/mol (16155.3476 without restraints) Performing minimization step: 875. Total energy = 16152.1164 kcal/mol (16143.3755 without restraints) Performing minimization step: 876. Total energy = 16140.1613 kcal/mol (16131.4240 without restraints) Performing minimization step: 877. Total energy = 16128.2271 kcal/mol (16119.4934 without restraints) Performing minimization step: 878. Total energy = 16116.3130 kcal/mol (16107.5829 without restraints) Performing minimization step: 879. Total energy = 16104.4203 kcal/mol (16095.6938 without restraints) Performing minimization step: 880. Total energy = 16092.5476 kcal/mol (16083.8249 without restraints) Performing minimization step: 881. Total energy = 16080.6956 kcal/mol (16071.9764 without restraints) Performing minimization step: 882. Total energy = 16068.8640 kcal/mol (16060.1484 without restraints) Performing minimization step: 883. Total energy = 16057.0523 kcal/mol (16048.3405 without restraints) Performing minimization step: 884. Total energy = 16045.2607 kcal/mol (16036.5522 without restraints) Performing minimization step: 885. Total energy = 16033.4896 kcal/mol (16024.7847 without restraints) Performing minimization step: 886. Total energy = 16021.7389 kcal/mol (16013.0376 without restraints) Performing minimization step: 887. Total energy = 16010.0087 kcal/mol (16001.3110 without restraints) Performing minimization step: 888. Total energy = 15998.2979 kcal/mol (15989.6038 without restraints) Performing minimization step: 889. Total energy = 15986.6074 kcal/mol (15977.9168 without restraints) Performing minimization step: 890. Total energy = 15974.9363 kcal/mol (15966.2494 without restraints) Performing minimization step: 891. Total energy = 15963.2855 kcal/mol (15954.6020 without restraints) Performing minimization step: 892. Total energy = 15951.6539 kcal/mol (15942.9739 without restraints) Performing minimization step: 893. Total energy = 15940.0424 kcal/mol (15931.3660 without restraints) Performing minimization step: 894. Total energy = 15928.4507 kcal/mol (15919.7779 without restraints) Performing minimization step: 895. Total energy = 15916.8789 kcal/mol (15908.2096 without restraints) Performing minimization step: 896. Total energy = 15905.3264 kcal/mol (15896.6606 without restraints) Performing minimization step: 897. Total energy = 15893.7937 kcal/mol (15885.1314 without restraints) Performing minimization step: 898. Total energy = 15882.2801 kcal/mol (15873.6212 without restraints) Performing minimization step: 899. Total energy = 15870.7863 kcal/mol (15862.1310 without restraints) Performing minimization step: 900. Total energy = 15859.3114 kcal/mol (15850.6594 without restraints) Writing PDB file: /home/ubuntu/rna-tools/rna_tools/tools/webserver-engine/media/jobs/b826130c/tmp/C15MA2_refx/C15MA2_refx.pdb ...Done. Performing minimization step: 901. Total energy = 15847.8561 kcal/mol (15839.2078 without restraints) Performing minimization step: 902. Total energy = 15836.4199 kcal/mol (15827.7751 without restraints) Performing minimization step: 903. Total energy = 15825.0033 kcal/mol (15816.3620 without restraints) Performing minimization step: 904. Total energy = 15813.6056 kcal/mol (15804.9678 without restraints) Performing minimization step: 905. Total energy = 15802.2271 kcal/mol (15793.5927 without restraints) Performing minimization step: 906. Total energy = 15790.8678 kcal/mol (15782.2369 without restraints) Performing minimization step: 907. Total energy = 15779.5271 kcal/mol (15770.8996 without restraints) Performing minimization step: 908. Total energy = 15768.2052 kcal/mol (15759.5811 without restraints) Performing minimization step: 909. Total energy = 15756.9022 kcal/mol (15748.2817 without restraints) Performing minimization step: 910. Total energy = 15745.6190 kcal/mol (15737.0019 without restraints) Performing minimization step: 911. Total energy = 15734.3540 kcal/mol (15725.7403 without restraints) Performing minimization step: 912. Total energy = 15723.1079 kcal/mol (15714.4977 without restraints) Performing minimization step: 913. Total energy = 15711.8803 kcal/mol (15703.2735 without restraints) Performing minimization step: 914. Total energy = 15700.6714 kcal/mol (15692.0681 without restraints) Performing minimization step: 915. Total energy = 15689.4807 kcal/mol (15680.8808 without restraints) Performing minimization step: 916. Total energy = 15678.3094 kcal/mol (15669.7129 without restraints) Performing minimization step: 917. Total energy = 15667.1561 kcal/mol (15658.5630 without restraints) Performing minimization step: 918. Total energy = 15656.0212 kcal/mol (15647.4315 without restraints) Performing minimization step: 919. Total energy = 15644.9043 kcal/mol (15636.3180 without restraints) Performing minimization step: 920. Total energy = 15633.8061 kcal/mol (15625.2232 without restraints) Performing minimization step: 921. Total energy = 15622.7262 kcal/mol (15614.1467 without restraints) Performing minimization step: 922. Total energy = 15611.6649 kcal/mol (15603.0888 without restraints) Performing minimization step: 923. Total energy = 15600.6216 kcal/mol (15592.0489 without restraints) Performing minimization step: 924. Total energy = 15589.5964 kcal/mol (15581.0271 without restraints) Performing minimization step: 925. Total energy = 15578.5893 kcal/mol (15570.0234 without restraints) Performing minimization step: 926. Total energy = 15567.6002 kcal/mol (15559.0377 without restraints) Performing minimization step: 927. Total energy = 15556.6296 kcal/mol (15548.0704 without restraints) Performing minimization step: 928. Total energy = 15545.6762 kcal/mol (15537.1203 without restraints) Performing minimization step: 929. Total energy = 15534.7412 kcal/mol (15526.1887 without restraints) Performing minimization step: 930. Total energy = 15523.8239 kcal/mol (15515.2747 without restraints) Performing minimization step: 931. Total energy = 15512.9248 kcal/mol (15504.3789 without restraints) Performing minimization step: 932. Total energy = 15502.0427 kcal/mol (15493.5002 without restraints) Performing minimization step: 933. Total energy = 15491.1784 kcal/mol (15482.6391 without restraints) Performing minimization step: 934. Total energy = 15480.3315 kcal/mol (15471.7955 without restraints) Performing minimization step: 935. Total energy = 15469.5024 kcal/mol (15460.9698 without restraints) Performing minimization step: 936. Total energy = 15458.6909 kcal/mol (15450.1616 without restraints) Performing minimization step: 937. Total energy = 15447.8966 kcal/mol (15439.3704 without restraints) Performing minimization step: 938. Total energy = 15437.1198 kcal/mol (15428.5972 without restraints) Performing minimization step: 939. Total energy = 15426.3606 kcal/mol (15417.8413 without restraints) Performing minimization step: 940. Total energy = 15415.6187 kcal/mol (15407.1027 without restraints) Performing minimization step: 941. Total energy = 15404.8943 kcal/mol (15396.3814 without restraints) Performing minimization step: 942. Total energy = 15394.1870 kcal/mol (15385.6775 without restraints) Performing minimization step: 943. Total energy = 15383.4971 kcal/mol (15374.9909 without restraints) Performing minimization step: 944. Total energy = 15372.8247 kcal/mol (15364.3220 without restraints) Performing minimization step: 945. Total energy = 15362.1695 kcal/mol (15353.6698 without restraints) Performing minimization step: 946. Total energy = 15351.5305 kcal/mol (15343.0341 without restraints) Performing minimization step: 947. Total energy = 15340.9092 kcal/mol (15332.4161 without restraints) Performing minimization step: 948. Total energy = 15330.3049 kcal/mol (15321.8151 without restraints) Performing minimization step: 949. Total energy = 15319.7177 kcal/mol (15311.2311 without restraints) Performing minimization step: 950. Total energy = 15309.1471 kcal/mol (15300.6637 without restraints) Performing minimization step: 951. Total energy = 15298.5933 kcal/mol (15290.1132 without restraints) Performing minimization step: 952. Total energy = 15288.0567 kcal/mol (15279.5798 without restraints) Performing minimization step: 953. Total energy = 15277.5370 kcal/mol (15269.0633 without restraints) Performing minimization step: 954. Total energy = 15267.0335 kcal/mol (15258.5631 without restraints) Performing minimization step: 955. Total energy = 15256.5462 kcal/mol (15248.0791 without restraints) Performing minimization step: 956. Total energy = 15246.0758 kcal/mol (15237.6120 without restraints) Performing minimization step: 957. Total energy = 15235.6220 kcal/mol (15227.1613 without restraints) Performing minimization step: 958. Total energy = 15225.1853 kcal/mol (15216.7276 without restraints) Performing minimization step: 959. Total energy = 15214.7652 kcal/mol (15206.3110 without restraints) Performing minimization step: 960. Total energy = 15204.3612 kcal/mol (15195.9101 without restraints) Performing minimization step: 961. Total energy = 15193.9734 kcal/mol (15185.5254 without restraints) Performing minimization step: 962. Total energy = 15183.6022 kcal/mol (15175.1576 without restraints) Performing minimization step: 963. Total energy = 15173.2473 kcal/mol (15164.8058 without restraints) Performing minimization step: 964. Total energy = 15162.9085 kcal/mol (15154.4702 without restraints) Performing minimization step: 965. Total energy = 15152.5859 kcal/mol (15144.1509 without restraints) Performing minimization step: 966. Total energy = 15142.2800 kcal/mol (15133.8481 without restraints) Performing minimization step: 967. Total energy = 15131.9899 kcal/mol (15123.5610 without restraints) Performing minimization step: 968. Total energy = 15121.7155 kcal/mol (15113.2899 without restraints) Performing minimization step: 969. Total energy = 15111.4575 kcal/mol (15103.0351 without restraints) Performing minimization step: 970. Total energy = 15101.2157 kcal/mol (15092.7964 without restraints) Performing minimization step: 971. Total energy = 15090.9894 kcal/mol (15082.5733 without restraints) Performing minimization step: 972. Total energy = 15080.7787 kcal/mol (15072.3658 without restraints) Performing minimization step: 973. Total energy = 15070.5844 kcal/mol (15062.1748 without restraints) Performing minimization step: 974. Total energy = 15060.4065 kcal/mol (15051.9998 without restraints) Performing minimization step: 975. Total energy = 15050.2438 kcal/mol (15041.8402 without restraints) Performing minimization step: 976. Total energy = 15040.0970 kcal/mol (15031.6966 without restraints) Performing minimization step: 977. Total energy = 15029.9659 kcal/mol (15021.5685 without restraints) Performing minimization step: 978. Total energy = 15019.8506 kcal/mol (15011.4564 without restraints) Performing minimization step: 979. Total energy = 15009.7515 kcal/mol (15001.3605 without restraints) Performing minimization step: 980. Total energy = 14999.6675 kcal/mol (14991.2794 without restraints) Performing minimization step: 981. Total energy = 14989.5987 kcal/mol (14981.2138 without restraints) Performing minimization step: 982. Total energy = 14979.5458 kcal/mol (14971.1643 without restraints) Performing minimization step: 983. Total energy = 14969.5088 kcal/mol (14961.1303 without restraints) Performing minimization step: 984. Total energy = 14959.4868 kcal/mol (14951.1112 without restraints) Performing minimization step: 985. Total energy = 14949.4792 kcal/mol (14941.1068 without restraints) Performing minimization step: 986. Total energy = 14939.4884 kcal/mol (14931.1191 without restraints) Performing minimization step: 987. Total energy = 14929.5130 kcal/mol (14921.1467 without restraints) Performing minimization step: 988. Total energy = 14919.5524 kcal/mol (14911.1894 without restraints) Performing minimization step: 989. Total energy = 14909.6072 kcal/mol (14901.2471 without restraints) Performing minimization step: 990. Total energy = 14899.6774 kcal/mol (14891.3204 without restraints) Performing minimization step: 991. Total energy = 14889.7626 kcal/mol (14881.4088 without restraints) Performing minimization step: 992. Total energy = 14879.8619 kcal/mol (14871.5111 without restraints) Performing minimization step: 993. Total energy = 14869.9776 kcal/mol (14861.6300 without restraints) Performing minimization step: 994. Total energy = 14860.1079 kcal/mol (14851.7632 without restraints) Performing minimization step: 995. Total energy = 14850.2529 kcal/mol (14841.9112 without restraints) Performing minimization step: 996. Total energy = 14840.4124 kcal/mol (14832.0737 without restraints) Performing minimization step: 997. Total energy = 14830.5877 kcal/mol (14822.2522 without restraints) Performing minimization step: 998. Total energy = 14820.7775 kcal/mol (14812.4450 without restraints) Performing minimization step: 999. Total energy = 14810.9821 kcal/mol (14802.6526 without restraints) Performing minimization step: 1000. Total energy = 14801.2015 kcal/mol (14792.8749 without restraints) Writing PDB file: /home/ubuntu/rna-tools/rna_tools/tools/webserver-engine/media/jobs/b826130c/tmp/C15MA2_refx/C15MA2_refx.pdb ...Done. Performing minimization step: 1001. Total energy = 14791.4356 kcal/mol (14783.1123 without restraints) Performing minimization step: 1002. Total energy = 14781.6850 kcal/mol (14773.3647 without restraints) Performing minimization step: 1003. Total energy = 14771.9489 kcal/mol (14763.6316 without restraints) Performing minimization step: 1004. Total energy = 14762.2270 kcal/mol (14753.9127 without restraints) Performing minimization step: 1005. Total energy = 14752.5200 kcal/mol (14744.2087 without restraints) Performing minimization step: 1006. Total energy = 14742.8272 kcal/mol (14734.5189 without restraints) Performing minimization step: 1007. Total energy = 14733.1493 kcal/mol (14724.8440 without restraints) Performing minimization step: 1008. Total energy = 14723.4860 kcal/mol (14715.1837 without restraints) Performing minimization step: 1009. Total energy = 14713.8374 kcal/mol (14705.5381 without restraints) Performing minimization step: 1010. Total energy = 14704.2030 kcal/mol (14695.9068 without restraints) Performing minimization step: 1011. Total energy = 14694.5832 kcal/mol (14686.2899 without restraints) Performing minimization step: 1012. Total energy = 14684.9774 kcal/mol (14676.6871 without restraints) Performing minimization step: 1013. Total energy = 14675.3862 kcal/mol (14667.0989 without restraints) Performing minimization step: 1014. Total energy = 14665.8095 kcal/mol (14657.5251 without restraints) Performing minimization step: 1015. Total energy = 14656.2470 kcal/mol (14647.9656 without restraints) Performing minimization step: 1016. Total energy = 14646.6983 kcal/mol (14638.4199 without restraints) Performing minimization step: 1017. Total energy = 14637.1635 kcal/mol (14628.8881 without restraints) Performing minimization step: 1018. Total energy = 14627.6432 kcal/mol (14619.3707 without restraints) Performing minimization step: 1019. Total energy = 14618.1369 kcal/mol (14609.8674 without restraints) Performing minimization step: 1020. Total energy = 14608.6447 kcal/mol (14600.3782 without restraints) Performing minimization step: 1021. Total energy = 14599.1663 kcal/mol (14590.9027 without restraints) Performing minimization step: 1022. Total energy = 14589.7023 kcal/mol (14581.4417 without restraints) Performing minimization step: 1023. Total energy = 14580.2518 kcal/mol (14571.9942 without restraints) Performing minimization step: 1024. Total energy = 14570.8155 kcal/mol (14562.5608 without restraints) Performing minimization step: 1025. Total energy = 14561.3933 kcal/mol (14553.1414 without restraints) Performing minimization step: 1026. Total energy = 14551.9845 kcal/mol (14543.7359 without restraints) Performing minimization step: 1027. Total energy = 14542.5898 kcal/mol (14534.3440 without restraints) Performing minimization step: 1028. Total energy = 14533.2089 kcal/mol (14524.9659 without restraints) Performing minimization step: 1029. Total energy = 14523.8419 kcal/mol (14515.6019 without restraints) Performing minimization step: 1030. Total energy = 14514.4889 kcal/mol (14506.2518 without restraints) Performing minimization step: 1031. Total energy = 14505.1490 kcal/mol (14496.9149 without restraints) Performing minimization step: 1032. Total energy = 14495.8232 kcal/mol (14487.5921 without restraints) Performing minimization step: 1033. Total energy = 14486.5106 kcal/mol (14478.2823 without restraints) Performing minimization step: 1034. Total energy = 14477.2111 kcal/mol (14468.9857 without restraints) Performing minimization step: 1035. Total energy = 14467.9255 kcal/mol (14459.7030 without restraints) Performing minimization step: 1036. Total energy = 14458.6537 kcal/mol (14450.4341 without restraints) Performing minimization step: 1037. Total energy = 14449.3953 kcal/mol (14441.1787 without restraints) Performing minimization step: 1038. Total energy = 14440.1503 kcal/mol (14431.9366 without restraints) Performing minimization step: 1039. Total energy = 14430.9189 kcal/mol (14422.7080 without restraints) Performing minimization step: 1040. Total energy = 14421.7007 kcal/mol (14413.4927 without restraints) Performing minimization step: 1041. Total energy = 14412.4958 kcal/mol (14404.2908 without restraints) Performing minimization step: 1042. Total energy = 14403.3045 kcal/mol (14395.1023 without restraints) Performing minimization step: 1043. Total energy = 14394.1260 kcal/mol (14385.9265 without restraints) Performing minimization step: 1044. Total energy = 14384.9610 kcal/mol (14376.7646 without restraints) Performing minimization step: 1045. Total energy = 14375.8088 kcal/mol (14367.6151 without restraints) Performing minimization step: 1046. Total energy = 14366.6704 kcal/mol (14358.4797 without restraints) Performing minimization step: 1047. Total energy = 14357.5450 kcal/mol (14349.3572 without restraints) Performing minimization step: 1048. Total energy = 14348.4326 kcal/mol (14340.2478 without restraints) Performing minimization step: 1049. Total energy = 14339.3336 kcal/mol (14331.1515 without restraints) Performing minimization step: 1050. Total energy = 14330.2473 kcal/mol (14322.0681 without restraints) Performing minimization step: 1051. Total energy = 14321.1742 kcal/mol (14312.9977 without restraints) Performing minimization step: 1052. Total energy = 14312.1141 kcal/mol (14303.9405 without restraints) Performing minimization step: 1053. Total energy = 14303.0670 kcal/mol (14294.8963 without restraints) Performing minimization step: 1054. Total energy = 14294.0327 kcal/mol (14285.8648 without restraints) Performing minimization step: 1055. Total energy = 14285.0118 kcal/mol (14276.8468 without restraints) Performing minimization step: 1056. Total energy = 14276.0028 kcal/mol (14267.8407 without restraints) Performing minimization step: 1057. Total energy = 14267.0073 kcal/mol (14258.8480 without restraints) Performing minimization step: 1058. Total energy = 14258.0246 kcal/mol (14249.8681 without restraints) Performing minimization step: 1059. Total energy = 14249.0546 kcal/mol (14240.9010 without restraints) Performing minimization step: 1060. Total energy = 14240.0976 kcal/mol (14231.9469 without restraints) Performing minimization step: 1061. Total energy = 14231.1534 kcal/mol (14223.0054 without restraints) Performing minimization step: 1062. Total energy = 14222.2214 kcal/mol (14214.0762 without restraints) Performing minimization step: 1063. Total energy = 14213.3022 kcal/mol (14205.1598 without restraints) Performing minimization step: 1064. Total energy = 14204.3953 kcal/mol (14196.2557 without restraints) Performing minimization step: 1065. Total energy = 14195.5015 kcal/mol (14187.3650 without restraints) Performing minimization step: 1066. Total energy = 14186.6206 kcal/mol (14178.4867 without restraints) Performing minimization step: 1067. Total energy = 14177.7516 kcal/mol (14169.6206 without restraints) Performing minimization step: 1068. Total energy = 14168.8951 kcal/mol (14160.7669 without restraints) Performing minimization step: 1069. Total energy = 14160.0519 kcal/mol (14151.9265 without restraints) Performing minimization step: 1070. Total energy = 14151.2203 kcal/mol (14143.0977 without restraints) Performing minimization step: 1071. Total energy = 14142.4009 kcal/mol (14134.2808 without restraints) Performing minimization step: 1072. Total energy = 14133.5941 kcal/mol (14125.4770 without restraints) Performing minimization step: 1073. Total energy = 14124.7999 kcal/mol (14116.6857 without restraints) Performing minimization step: 1074. Total energy = 14116.0178 kcal/mol (14107.9061 without restraints) Performing minimization step: 1075. Total energy = 14107.2480 kcal/mol (14099.1393 without restraints) Performing minimization step: 1076. Total energy = 14098.4910 kcal/mol (14090.3850 without restraints) Performing minimization step: 1077. Total energy = 14089.7463 kcal/mol (14081.6432 without restraints) Performing minimization step: 1078. Total energy = 14081.0141 kcal/mol (14072.9137 without restraints) Performing minimization step: 1079. Total energy = 14072.2935 kcal/mol (14064.1958 without restraints) Performing minimization step: 1080. Total energy = 14063.5839 kcal/mol (14055.4891 without restraints) Performing minimization step: 1081. Total energy = 14054.8875 kcal/mol (14046.7955 without restraints) Performing minimization step: 1082. Total energy = 14046.2033 kcal/mol (14038.1141 without restraints) Performing minimization step: 1083. Total energy = 14037.5313 kcal/mol (14029.4447 without restraints) Performing minimization step: 1084. Total energy = 14028.8710 kcal/mol (14020.7872 without restraints) Performing minimization step: 1085. Total energy = 14020.2224 kcal/mol (14012.1415 without restraints) Performing minimization step: 1086. Total energy = 14011.5860 kcal/mol (14003.5078 without restraints) Performing minimization step: 1087. Total energy = 14002.9617 kcal/mol (13994.8862 without restraints) Performing minimization step: 1088. Total energy = 13994.3498 kcal/mol (13986.2770 without restraints) Performing minimization step: 1089. Total energy = 13985.7493 kcal/mol (13977.6793 without restraints) Performing minimization step: 1090. Total energy = 13977.1608 kcal/mol (13969.0935 without restraints) Performing minimization step: 1091. Total energy = 13968.5841 kcal/mol (13960.5195 without restraints) Performing minimization step: 1092. Total energy = 13960.0194 kcal/mol (13951.9575 without restraints) Performing minimization step: 1093. Total energy = 13951.4666 kcal/mol (13943.4075 without restraints) Performing minimization step: 1094. Total energy = 13942.9254 kcal/mol (13934.8690 without restraints) Performing minimization step: 1095. Total energy = 13934.3957 kcal/mol (13926.3419 without restraints) Performing minimization step: 1096. Total energy = 13925.8777 kcal/mol (13917.8267 without restraints) Performing minimization step: 1097. Total energy = 13917.3712 kcal/mol (13909.3229 without restraints) Performing minimization step: 1098. Total energy = 13908.8767 kcal/mol (13900.8315 without restraints) Performing minimization step: 1099. Total energy = 13900.3943 kcal/mol (13892.3515 without restraints) Performing minimization step: 1100. Total energy = 13891.9227 kcal/mol (13883.8826 without restraints) Writing PDB file: /home/ubuntu/rna-tools/rna_tools/tools/webserver-engine/media/jobs/b826130c/tmp/C15MA2_refx/C15MA2_refx.pdb ...Done. Performing minimization step: 1101. Total energy = 13883.4631 kcal/mol (13875.4257 without restraints) Performing minimization step: 1102. Total energy = 13875.0147 kcal/mol (13866.9800 without restraints) Performing minimization step: 1103. Total energy = 13866.5778 kcal/mol (13858.5458 without restraints) Performing minimization step: 1104. Total energy = 13858.1526 kcal/mol (13850.1233 without restraints) Performing minimization step: 1105. Total energy = 13849.7390 kcal/mol (13841.7127 without restraints) Performing minimization step: 1106. Total energy = 13841.3369 kcal/mol (13833.3131 without restraints) Performing minimization step: 1107. Total energy = 13832.9461 kcal/mol (13824.9249 without restraints) Performing minimization step: 1108. Total energy = 13824.5665 kcal/mol (13816.5480 without restraints) Performing minimization step: 1109. Total energy = 13816.1983 kcal/mol (13808.1826 without restraints) Performing minimization step: 1110. Total energy = 13807.8416 kcal/mol (13799.8286 without restraints) Performing minimization step: 1111. Total energy = 13799.4962 kcal/mol (13791.4858 without restraints) Performing minimization step: 1112. Total energy = 13791.1621 kcal/mol (13783.1543 without restraints) Performing minimization step: 1113. Total energy = 13782.8389 kcal/mol (13774.8338 without restraints) Performing minimization step: 1114. Total energy = 13774.5273 kcal/mol (13766.5249 without restraints) Performing minimization step: 1115. Total energy = 13766.2270 kcal/mol (13758.2272 without restraints) Performing minimization step: 1116. Total energy = 13757.9375 kcal/mol (13749.9403 without restraints) Performing minimization step: 1117. Total energy = 13749.6594 kcal/mol (13741.6651 without restraints) Performing minimization step: 1118. Total energy = 13741.3927 kcal/mol (13733.4011 without restraints) Performing minimization step: 1119. Total energy = 13733.1368 kcal/mol (13725.1477 without restraints) Performing minimization step: 1120. Total energy = 13724.8920 kcal/mol (13716.9057 without restraints) Performing minimization step: 1121. Total energy = 13716.6586 kcal/mol (13708.6749 without restraints) Performing minimization step: 1122. Total energy = 13708.4360 kcal/mol (13700.4549 without restraints) Performing minimization step: 1123. Total energy = 13700.2244 kcal/mol (13692.2460 without restraints) Performing minimization step: 1124. Total energy = 13692.0238 kcal/mol (13684.0480 without restraints) Performing minimization step: 1125. Total energy = 13683.8342 kcal/mol (13675.8611 without restraints) Performing minimization step: 1126. Total energy = 13675.6556 kcal/mol (13667.6854 without restraints) Performing minimization step: 1127. Total energy = 13667.4880 kcal/mol (13659.5203 without restraints) Performing minimization step: 1128. Total energy = 13659.3312 kcal/mol (13651.3660 without restraints) Performing minimization step: 1129. Total energy = 13651.1854 kcal/mol (13643.2229 without restraints) Performing minimization step: 1130. Total energy = 13643.0500 kcal/mol (13635.0901 without restraints) Performing minimization step: 1131. Total energy = 13634.9256 kcal/mol (13626.9684 without restraints) Performing minimization step: 1132. Total energy = 13626.8127 kcal/mol (13618.8581 without restraints) Performing minimization step: 1133. Total energy = 13618.7099 kcal/mol (13610.7580 without restraints) Performing minimization step: 1134. Total energy = 13610.6179 kcal/mol (13602.6686 without restraints) Performing minimization step: 1135. Total energy = 13602.5365 kcal/mol (13594.5898 without restraints) Performing minimization step: 1136. Total energy = 13594.4660 kcal/mol (13586.5220 without restraints) Performing minimization step: 1137. Total energy = 13586.4062 kcal/mol (13578.4648 without restraints) Performing minimization step: 1138. Total energy = 13578.3568 kcal/mol (13570.4180 without restraints) Performing minimization step: 1139. Total energy = 13570.3179 kcal/mol (13562.3815 without restraints) Performing minimization step: 1140. Total energy = 13562.2897 kcal/mol (13554.3561 without restraints) Performing minimization step: 1141. Total energy = 13554.2720 kcal/mol (13546.3410 without restraints) Performing minimization step: 1142. Killed /home/ubuntu/rna-tools//opt/qrnas/ Save to C15MA2_refx.pdb DONE!