============================================================================= Reading config file: /home/ubuntu/rna-tools/rna_tools/tools/webserver-engine/media/jobs/4d8172bd/tmp/CPMA1_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/4d8172bd/tmp/CPMA1_refx/CPMA1.pdb ============================================================================= Error: recognition of atom ATOM 19 'HO5 DA A 1 ... failed. Atom erased. Error: recognition of atom ATOM 23 2H2' DA A 1 ... failed. Atom erased. Error: recognition of atom ATOM 29 'H5' DA A 1 ... failed. Atom erased. Error: recognition of atom ATOM 30 1H2' 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 57 2H2' DT A 2 ... failed. Atom erased. Error: recognition of atom ATOM 61 'H5' DT A 2 ... failed. Atom erased. Error: recognition of atom ATOM 62 1H2' DT A 2 ... failed. Atom erased. Error: recognition of atom ATOM 87 2H2' DA A 3 ... failed. Atom erased. Error: recognition of atom ATOM 93 'H5' DA A 3 ... failed. Atom erased. Error: recognition of atom ATOM 94 1H2' DA A 3 ... failed. Atom erased. Error: recognition of atom ATOM 120 2H2' DG A 4 ... failed. Atom erased. Error: recognition of atom ATOM 126 'H5' DG A 4 ... failed. Atom erased. Error: recognition of atom ATOM 127 1H2' DG A 4 ... failed. Atom erased. Error: recognition of atom ATOM 150 2H2' DC A 5 ... failed. Atom erased. Error: recognition of atom ATOM 156 'H5' DC A 5 ... failed. Atom erased. Error: recognition of atom ATOM 157 1H2' DC A 5 ... failed. Atom erased. Error: recognition of atom ATOM 182 2H2' DA A 6 ... failed. Atom erased. Error: recognition of atom ATOM 188 'H5' DA A 6 ... failed. Atom erased. Error: recognition of atom ATOM 189 1H2' DA A 6 ... failed. Atom erased. Error: recognition of atom ATOM 206 C5M DT A 7 ... failed. Atom erased. Error: recognition of atom ATOM 210 HN3 DT A 7 ... failed. Atom erased. Error: recognition of atom ATOM 211 1HM5 DT A 7 ... failed. Atom erased. Error: recognition of atom ATOM 212 2HM5 DT A 7 ... failed. Atom erased. Error: recognition of atom ATOM 213 3HM5 DT A 7 ... failed. Atom erased. Error: recognition of atom ATOM 216 2H2' DT A 7 ... failed. Atom erased. Error: recognition of atom ATOM 220 'H5' DT A 7 ... failed. Atom erased. Error: recognition of atom ATOM 221 1H2' DT A 7 ... failed. Atom erased. Error: recognition of atom ATOM 247 2H2' DG A 8 ... failed. Atom erased. Error: recognition of atom ATOM 253 'H5' DG A 8 ... failed. Atom erased. Error: recognition of atom ATOM 254 1H2' DG A 8 ... failed. Atom erased. Error: recognition of atom ATOM 279 2H2' DA A 9 ... failed. Atom erased. Error: recognition of atom ATOM 285 'H5' DA A 9 ... failed. Atom erased. Error: recognition of atom ATOM 286 1H2' DA A 9 ... failed. Atom erased. Error: recognition of atom ATOM 311 2H2' DA A 10 ... failed. Atom erased. Error: recognition of atom ATOM 317 'H5' DA A 10 ... failed. Atom erased. Error: recognition of atom ATOM 318 1H2' DA A 10 ... failed. Atom erased. Error: recognition of atom ATOM 335 C5M DT A 11 ... failed. Atom erased. Error: recognition of atom ATOM 339 HN3 DT A 11 ... failed. Atom erased. Error: recognition of atom ATOM 340 1HM5 DT A 11 ... failed. Atom erased. Error: recognition of atom ATOM 341 2HM5 DT A 11 ... failed. Atom erased. Error: recognition of atom ATOM 342 3HM5 DT A 11 ... failed. Atom erased. Error: recognition of atom ATOM 345 2H2' DT A 11 ... failed. Atom erased. Error: recognition of atom ATOM 349 'H5' DT A 11 ... failed. Atom erased. Error: recognition of atom ATOM 350 1H2' DT A 11 ... failed. Atom erased. Error: recognition of atom ATOM 367 C5M DT A 12 ... failed. Atom erased. Error: recognition of atom ATOM 371 HN3 DT A 12 ... failed. Atom erased. Error: recognition of atom ATOM 372 1HM5 DT A 12 ... failed. Atom erased. Error: recognition of atom ATOM 373 2HM5 DT A 12 ... failed. Atom erased. Error: recognition of atom ATOM 374 3HM5 DT A 12 ... failed. Atom erased. Error: recognition of atom ATOM 377 2H2' DT A 12 ... failed. Atom erased. Error: recognition of atom ATOM 381 'H5' DT A 12 ... failed. Atom erased. Error: recognition of atom ATOM 382 1H2' DT A 12 ... failed. Atom erased. Error: recognition of atom ATOM 405 2H2' DC A 13 ... failed. Atom erased. Error: recognition of atom ATOM 411 'H5' DC A 13 ... failed. Atom erased. Error: recognition of atom ATOM 412 1H2' DC A 13 ... failed. Atom erased. Error: recognition of atom ATOM 435 2H2' DC A 14 ... failed. Atom erased. Error: recognition of atom ATOM 441 'H5' DC A 14 ... failed. Atom erased. Error: recognition of atom ATOM 442 1H2' DC A 14 ... failed. Atom erased. Error: recognition of atom ATOM 465 2H2' DC A 15 ... failed. Atom erased. Error: recognition of atom ATOM 471 'H5' DC A 15 ... failed. Atom erased. Error: recognition of atom ATOM 472 1H2' DC A 15 ... failed. Atom erased. Error: recognition of atom ATOM 498 2H2' DG A 16 ... failed. Atom erased. Error: recognition of atom ATOM 504 'H5' DG A 16 ... failed. Atom erased. Error: recognition of atom ATOM 505 1H2' DG A 16 ... failed. Atom erased. Error: recognition of atom ATOM 530 2H2' DA A 17 ... failed. Atom erased. Error: recognition of atom ATOM 536 'H5' DA A 17 ... failed. Atom erased. Error: recognition of atom ATOM 537 1H2' DA A 17 ... failed. Atom erased. Error: recognition of atom ATOM 562 2H2' DA A 18 ... failed. Atom erased. Error: recognition of atom ATOM 568 'H5' DA A 18 ... failed. Atom erased. Error: recognition of atom ATOM 569 1H2' DA A 18 ... failed. Atom erased. Error: recognition of atom ATOM 595 2H2' DG A 19 ... failed. Atom erased. Error: recognition of atom ATOM 601 'H5' DG A 19 ... failed. Atom erased. Error: recognition of atom ATOM 602 1H2' DG A 19 ... failed. Atom erased. Error: recognition of atom ATOM 627 2H2' DA A 20 ... failed. Atom erased. Error: recognition of atom ATOM 633 'H5' DA A 20 ... failed. Atom erased. Error: recognition of atom ATOM 634 1H2' DA A 20 ... failed. Atom erased. Error: recognition of atom ATOM 657 2H2' DC A 21 ... failed. Atom erased. Error: recognition of atom ATOM 663 'H5' DC A 21 ... failed. Atom erased. Error: recognition of atom ATOM 664 1H2' DC A 21 ... failed. Atom erased. Error: recognition of atom ATOM 690 2H2' DG A 22 ... failed. Atom erased. Error: recognition of atom ATOM 696 'H5' DG A 22 ... failed. Atom erased. Error: recognition of atom ATOM 697 1H2' DG A 22 ... failed. Atom erased. Error: recognition of atom ATOM 720 2H2' DC A 23 ... failed. Atom erased. Error: recognition of atom ATOM 726 'H5' DC A 23 ... failed. Atom erased. Error: recognition of atom ATOM 727 1H2' DC A 23 ... failed. Atom erased. Error: recognition of atom ATOM 750 2H2' DC A 24 ... failed. Atom erased. Error: recognition of atom ATOM 756 'H5' DC A 24 ... failed. Atom erased. Error: recognition of atom ATOM 757 1H2' DC A 24 ... failed. Atom erased. Error: recognition of atom ATOM 783 2H2' DG A 25 ... failed. Atom erased. Error: recognition of atom ATOM 789 'H5' DG A 25 ... failed. Atom erased. Error: recognition of atom ATOM 790 1H2' DG A 25 ... failed. Atom erased. Error: recognition of atom ATOM 815 2H2' DA A 26 ... failed. Atom erased. Error: recognition of atom ATOM 821 'H5' DA A 26 ... failed. Atom erased. Error: recognition of atom ATOM 822 1H2' DA A 26 ... failed. Atom erased. Error: recognition of atom ATOM 845 2H2' DC A 27 ... failed. Atom erased. Error: recognition of atom ATOM 851 'H5' DC A 27 ... failed. Atom erased. Error: recognition of atom ATOM 852 1H2' DC A 27 ... failed. Atom erased. Error: recognition of atom ATOM 875 2H2' DC A 28 ... failed. Atom erased. Error: recognition of atom ATOM 881 'H5' DC A 28 ... failed. Atom erased. Error: recognition of atom ATOM 882 1H2' DC A 28 ... failed. Atom erased. Error: recognition of atom ATOM 905 2H2' DC A 29 ... failed. Atom erased. Error: recognition of atom ATOM 911 'H5' DC A 29 ... failed. Atom erased. Error: recognition of atom ATOM 912 1H2' DC A 29 ... failed. Atom erased. Error: recognition of atom ATOM 937 2H2' DA A 30 ... failed. Atom erased. Error: recognition of atom ATOM 943 'H5' DA A 30 ... failed. Atom erased. Error: recognition of atom ATOM 944 1H2' DA A 30 ... failed. Atom erased. Error: recognition of atom ATOM 961 C5M DT A 31 ... failed. Atom erased. Error: recognition of atom ATOM 965 HN3 DT A 31 ... failed. Atom erased. Error: recognition of atom ATOM 966 1HM5 DT A 31 ... failed. Atom erased. Error: recognition of atom ATOM 967 2HM5 DT A 31 ... failed. Atom erased. Error: recognition of atom ATOM 968 3HM5 DT A 31 ... failed. Atom erased. Error: recognition of atom ATOM 971 2H2' DT A 31 ... failed. Atom erased. Error: recognition of atom ATOM 975 'H5' DT A 31 ... failed. Atom erased. Error: recognition of atom ATOM 976 1H2' DT A 31 ... failed. Atom erased. Error: recognition of atom ATOM 1001 2H2' DA A 32 ... failed. Atom erased. Error: recognition of atom ATOM 1007 'H5' DA A 32 ... failed. Atom erased. Error: recognition of atom ATOM 1008 1H2' DA A 32 ... failed. Atom erased. Error: recognition of atom ATOM 1033 2H2' DA A 33 ... failed. Atom erased. Error: recognition of atom ATOM 1039 'H5' DA A 33 ... failed. Atom erased. Error: recognition of atom ATOM 1040 1H2' DA A 33 ... failed. Atom erased. Error: recognition of atom ATOM 1065 2H2' DA A 34 ... failed. Atom erased. Error: recognition of atom ATOM 1071 'H5' DA A 34 ... failed. Atom erased. Error: recognition of atom ATOM 1072 1H2' DA A 34 ... failed. Atom erased. Error: recognition of atom ATOM 1097 2H2' DA A 35 ... failed. Atom erased. Error: recognition of atom ATOM 1103 'H5' DA A 35 ... failed. Atom erased. Error: recognition of atom ATOM 1104 1H2' DA A 35 ... failed. Atom erased. Error: recognition of atom ATOM 1121 C5M DT A 36 ... failed. Atom erased. Error: recognition of atom ATOM 1125 HN3 DT A 36 ... failed. Atom erased. Error: recognition of atom ATOM 1126 1HM5 DT A 36 ... failed. Atom erased. Error: recognition of atom ATOM 1127 2HM5 DT A 36 ... failed. Atom erased. Error: recognition of atom ATOM 1128 3HM5 DT A 36 ... failed. Atom erased. Error: recognition of atom ATOM 1131 2H2' DT A 36 ... failed. Atom erased. Error: recognition of atom ATOM 1135 'H5' DT A 36 ... failed. Atom erased. Error: recognition of atom ATOM 1136 1H2' DT A 36 ... failed. Atom erased. Error: recognition of atom ATOM 1161 2H2' DA A 37 ... failed. Atom erased. Error: recognition of atom ATOM 1167 'H5' DA A 37 ... failed. Atom erased. Error: recognition of atom ATOM 1168 1H2' DA A 37 ... failed. Atom erased. Error: recognition of atom ATOM 1193 2H2' DA A 38 ... failed. Atom erased. Error: recognition of atom ATOM 1199 'H5' DA A 38 ... failed. Atom erased. Error: recognition of atom ATOM 1200 1H2' DA A 38 ... failed. Atom erased. Error: recognition of atom ATOM 1226 2H2' DG A 39 ... failed. Atom erased. Error: recognition of atom ATOM 1232 'H5' DG A 39 ... failed. Atom erased. Error: recognition of atom ATOM 1233 1H2' DG A 39 ... failed. Atom erased. Error: recognition of atom ATOM 1256 2H2' DC A 40 ... failed. Atom erased. Error: recognition of atom ATOM 1262 'H5' DC A 40 ... failed. Atom erased. Error: recognition of atom ATOM 1263 1H2' DC A 40 ... failed. Atom erased. Error: recognition of atom ATOM 1288 2H2' DA A 41 ... failed. Atom erased. Error: recognition of atom ATOM 1294 'H5' DA A 41 ... failed. Atom erased. Error: recognition of atom ATOM 1295 1H2' DA A 41 ... failed. Atom erased. Error: recognition of atom ATOM 1321 2H2' DG A 42 ... failed. Atom erased. Error: recognition of atom ATOM 1327 'H5' DG A 42 ... failed. Atom erased. Error: recognition of atom ATOM 1328 1H2' DG A 42 ... failed. Atom erased. Error: recognition of atom ATOM 1351 2H2' DC A 43 ... failed. Atom erased. Error: recognition of atom ATOM 1357 'H5' DC A 43 ... failed. Atom erased. Error: recognition of atom ATOM 1358 1H2' DC A 43 ... failed. Atom erased. Error: recognition of atom ATOM 1383 2H2' DA A 44 ... failed. Atom erased. Error: recognition of atom ATOM 1389 'H5' DA A 44 ... failed. Atom erased. Error: recognition of atom ATOM 1390 1H2' DA A 44 ... failed. Atom erased. Error: recognition of atom ATOM 1416 2H2' DG A 45 ... failed. Atom erased. Error: recognition of atom ATOM 1422 'H5' DG A 45 ... failed. Atom erased. Error: recognition of atom ATOM 1423 1H2' DG A 45 ... failed. Atom erased. Error: recognition of atom ATOM 1449 2H2' DG A 46 ... failed. Atom erased. Error: recognition of atom ATOM 1455 'H5' DG A 46 ... failed. Atom erased. Error: recognition of atom ATOM 1456 1H2' DG A 46 ... failed. Atom erased. Error: recognition of atom ATOM 1481 2H2' DA A 47 ... failed. Atom erased. Error: recognition of atom ATOM 1487 'H5' DA A 47 ... failed. Atom erased. Error: recognition of atom ATOM 1488 1H2' DA A 47 ... failed. Atom erased. Error: recognition of atom ATOM 1505 C5M DT A 48 ... failed. Atom erased. Error: recognition of atom ATOM 1509 HN3 DT A 48 ... failed. Atom erased. Error: recognition of atom ATOM 1510 1HM5 DT A 48 ... failed. Atom erased. Error: recognition of atom ATOM 1511 2HM5 DT A 48 ... failed. Atom erased. Error: recognition of atom ATOM 1512 3HM5 DT A 48 ... failed. Atom erased. Error: recognition of atom ATOM 1515 2H2' DT A 48 ... failed. Atom erased. Error: recognition of atom ATOM 1519 'H5' DT A 48 ... failed. Atom erased. Error: recognition of atom ATOM 1520 1H2' DT A 48 ... failed. Atom erased. Error: recognition of atom ATOM 1546 2H2' DG A 49 ... failed. Atom erased. Error: recognition of atom ATOM 1552 'H5' DG A 49 ... failed. Atom erased. Error: recognition of atom ATOM 1553 1H2' DG A 49 ... failed. Atom erased. Error: recognition of atom ATOM 1579 2H2' DG A 50 ... failed. Atom erased. Error: recognition of atom ATOM 1585 'H5' DG A 50 ... failed. Atom erased. Error: recognition of atom ATOM 1586 1H2' DG A 50 ... failed. Atom erased. Error: recognition of atom ATOM 1603 C5M DT A 51 ... failed. Atom erased. Error: recognition of atom ATOM 1607 HN3 DT A 51 ... failed. Atom erased. Error: recognition of atom ATOM 1608 1HM5 DT A 51 ... failed. Atom erased. Error: recognition of atom ATOM 1609 2HM5 DT A 51 ... failed. Atom erased. Error: recognition of atom ATOM 1610 3HM5 DT A 51 ... failed. Atom erased. Error: recognition of atom ATOM 1613 2H2' DT A 51 ... failed. Atom erased. Error: recognition of atom ATOM 1617 'H5' DT A 51 ... failed. Atom erased. Error: recognition of atom ATOM 1618 1H2' DT A 51 ... failed. Atom erased. Error: recognition of atom ATOM 1635 C5M DT A 52 ... failed. Atom erased. Error: recognition of atom ATOM 1639 HN3 DT A 52 ... failed. Atom erased. Error: recognition of atom ATOM 1640 1HM5 DT A 52 ... failed. Atom erased. Error: recognition of atom ATOM 1641 2HM5 DT A 52 ... failed. Atom erased. Error: recognition of atom ATOM 1642 3HM5 DT A 52 ... failed. Atom erased. Error: recognition of atom ATOM 1645 2H2' DT A 52 ... failed. Atom erased. Error: recognition of atom ATOM 1649 'H5' DT A 52 ... failed. Atom erased. Error: recognition of atom ATOM 1650 1H2' DT A 52 ... failed. Atom erased. Error: recognition of atom ATOM 1676 2H2' DG A 53 ... failed. Atom erased. Error: recognition of atom ATOM 1682 'H5' DG A 53 ... failed. Atom erased. Error: recognition of atom ATOM 1683 1H2' DG A 53 ... failed. Atom erased. Error: recognition of atom ATOM 1709 2H2' DG A 54 ... failed. Atom erased. Error: recognition of atom ATOM 1715 'H5' DG A 54 ... failed. Atom erased. Error: recognition of atom ATOM 1716 1H2' DG A 54 ... failed. Atom erased. Error: recognition of atom ATOM 1733 C5M DT A 55 ... failed. Atom erased. Error: recognition of atom ATOM 1737 HN3 DT A 55 ... failed. Atom erased. Error: recognition of atom ATOM 1738 1HM5 DT A 55 ... failed. Atom erased. Error: recognition of atom ATOM 1739 2HM5 DT A 55 ... failed. Atom erased. Error: recognition of atom ATOM 1740 3HM5 DT A 55 ... failed. Atom erased. Error: recognition of atom ATOM 1743 2H2' DT A 55 ... failed. Atom erased. Error: recognition of atom ATOM 1747 'H5' DT A 55 ... failed. Atom erased. Error: recognition of atom ATOM 1748 1H2' DT A 55 ... failed. Atom erased. Error: recognition of atom ATOM 1771 2H2' DC A 56 ... failed. Atom erased. Error: recognition of atom ATOM 1777 'H5' DC A 56 ... failed. Atom erased. Error: recognition of atom ATOM 1778 1H2' DC A 56 ... failed. Atom erased. Error: recognition of atom ATOM 1803 2H2' DA A 57 ... failed. Atom erased. Error: recognition of atom ATOM 1809 'H5' DA A 57 ... failed. Atom erased. Error: recognition of atom ATOM 1810 1H2' DA A 57 ... failed. Atom erased. Error: recognition of atom ATOM 1836 2H2' DG A 58 ... failed. Atom erased. Error: recognition of atom ATOM 1842 'H5' DG A 58 ... failed. Atom erased. Error: recognition of atom ATOM 1843 1H2' DG A 58 ... failed. Atom erased. Error: recognition of atom ATOM 1866 2H2' DC A 59 ... failed. Atom erased. Error: recognition of atom ATOM 1872 'H5' DC A 59 ... failed. Atom erased. Error: recognition of atom ATOM 1873 1H2' DC A 59 ... failed. Atom erased. Error: recognition of atom ATOM 1898 2H2' DA A 60 ... failed. Atom erased. Error: recognition of atom ATOM 1904 'H5' DA A 60 ... failed. Atom erased. Error: recognition of atom ATOM 1905 1H2' DA A 60 ... failed. Atom erased. Error: recognition of atom ATOM 1922 C5M DT A 61 ... failed. Atom erased. Error: recognition of atom ATOM 1926 HN3 DT A 61 ... failed. Atom erased. Error: recognition of atom ATOM 1927 1HM5 DT A 61 ... failed. Atom erased. Error: recognition of atom ATOM 1928 2HM5 DT A 61 ... failed. Atom erased. Error: recognition of atom ATOM 1929 3HM5 DT A 61 ... failed. Atom erased. Error: recognition of atom ATOM 1932 2H2' DT A 61 ... failed. Atom erased. Error: recognition of atom ATOM 1936 'H5' DT A 61 ... failed. Atom erased. Error: recognition of atom ATOM 1937 1H2' DT A 61 ... failed. Atom erased. Error: recognition of atom ATOM 1954 C5M DT A 62 ... failed. Atom erased. Error: recognition of atom ATOM 1958 HN3 DT A 62 ... failed. Atom erased. Error: recognition of atom ATOM 1959 1HM5 DT A 62 ... failed. Atom erased. Error: recognition of atom ATOM 1960 2HM5 DT A 62 ... failed. Atom erased. Error: recognition of atom ATOM 1961 3HM5 DT A 62 ... failed. Atom erased. Error: recognition of atom ATOM 1964 2H2' DT A 62 ... failed. Atom erased. Error: recognition of atom ATOM 1968 'H5' DT A 62 ... failed. Atom erased. Error: recognition of atom ATOM 1969 1H2' DT A 62 ... failed. Atom erased. Error: recognition of atom ATOM 1994 2H2' DA A 63 ... failed. Atom erased. Error: recognition of atom ATOM 2000 'H5' DA A 63 ... failed. Atom erased. Error: recognition of atom ATOM 2001 1H2' DA A 63 ... failed. Atom erased. Error: recognition of atom ATOM 2018 C5M DT A 64 ... failed. Atom erased. Error: recognition of atom ATOM 2022 HN3 DT A 64 ... failed. Atom erased. Error: recognition of atom ATOM 2023 1HM5 DT A 64 ... failed. Atom erased. Error: recognition of atom ATOM 2024 2HM5 DT A 64 ... failed. Atom erased. Error: recognition of atom ATOM 2025 3HM5 DT A 64 ... failed. Atom erased. Error: recognition of atom ATOM 2028 2H2' DT A 64 ... failed. Atom erased. Error: recognition of atom ATOM 2032 'H5' DT A 64 ... failed. Atom erased. Error: recognition of atom ATOM 2033 1H2' DT A 64 ... failed. Atom erased. Error: recognition of atom ATOM 2059 2H2' DG A 65 ... failed. Atom erased. Error: recognition of atom ATOM 2065 'H5' DG A 65 ... failed. Atom erased. Error: recognition of atom ATOM 2066 1H2' DG A 65 ... failed. Atom erased. Error: recognition of atom ATOM 2083 C5M DT A 66 ... failed. Atom erased. Error: recognition of atom ATOM 2087 HN3 DT A 66 ... failed. Atom erased. Error: recognition of atom ATOM 2088 1HM5 DT A 66 ... failed. Atom erased. Error: recognition of atom ATOM 2089 2HM5 DT A 66 ... failed. Atom erased. Error: recognition of atom ATOM 2090 3HM5 DT A 66 ... failed. Atom erased. Error: recognition of atom ATOM 2093 2H2' DT A 66 ... failed. Atom erased. Error: recognition of atom ATOM 2097 'H5' DT A 66 ... failed. Atom erased. Error: recognition of atom ATOM 2098 1H2' DT A 66 ... failed. Atom erased. Error: recognition of atom ATOM 2121 2H2' DC A 67 ... failed. Atom erased. Error: recognition of atom ATOM 2127 'H5' DC A 67 ... failed. Atom erased. Error: recognition of atom ATOM 2128 1H2' DC A 67 ... failed. Atom erased. Error: recognition of atom ATOM 2154 2H2' DG A 68 ... failed. Atom erased. Error: recognition of atom ATOM 2160 'H5' DG A 68 ... failed. Atom erased. Error: recognition of atom ATOM 2161 1H2' DG A 68 ... failed. Atom erased. Error: recognition of atom ATOM 2186 2H2' DA A 69 ... failed. Atom erased. Error: recognition of atom ATOM 2192 'H5' DA A 69 ... failed. Atom erased. Error: recognition of atom ATOM 2193 1H2' DA A 69 ... failed. Atom erased. Error: recognition of atom ATOM 2216 2H2' DC A 70 ... failed. Atom erased. Error: recognition of atom ATOM 2222 'H5' DC A 70 ... failed. Atom erased. Error: recognition of atom ATOM 2223 1H2' DC A 70 ... failed. Atom erased. Error: recognition of atom ATOM 2249 2H2' DG A 71 ... failed. Atom erased. Error: recognition of atom ATOM 2255 'H5' DG A 71 ... failed. Atom erased. Error: recognition of atom ATOM 2256 1H2' DG A 71 ... failed. Atom erased. Error: recognition of atom ATOM 2281 2H2' DA A 72 ... failed. Atom erased. Error: recognition of atom ATOM 2287 'H5' DA A 72 ... failed. Atom erased. Error: recognition of atom ATOM 2288 1H2' DA A 72 ... failed. Atom erased. Error: recognition of atom ATOM 2314 2H2' DG A 73 ... failed. Atom erased. Error: recognition of atom ATOM 2320 'H5' DG A 73 ... failed. Atom erased. Error: recognition of atom ATOM 2321 1H2' DG A 73 ... failed. Atom erased. Error: recognition of atom ATOM 2347 2H2' DG A 74 ... failed. Atom erased. Error: recognition of atom ATOM 2353 'H5' DG A 74 ... failed. Atom erased. Error: recognition of atom ATOM 2354 1H2' DG A 74 ... failed. Atom erased. Error: recognition of atom ATOM 2371 C5M DT A 75 ... failed. Atom erased. Error: recognition of atom ATOM 2375 HN3 DT A 75 ... failed. Atom erased. Error: recognition of atom ATOM 2376 1HM5 DT A 75 ... failed. Atom erased. Error: recognition of atom ATOM 2377 2HM5 DT A 75 ... failed. Atom erased. Error: recognition of atom ATOM 2378 3HM5 DT A 75 ... failed. Atom erased. Error: recognition of atom ATOM 2381 2H2' DT A 75 ... failed. Atom erased. Error: recognition of atom ATOM 2385 'H5' DT A 75 ... failed. Atom erased. Error: recognition of atom ATOM 2386 1H2' DT A 75 ... failed. Atom erased. Error: recognition of atom ATOM 2409 2H2' DC A 76 ... failed. Atom erased. Error: recognition of atom ATOM 2415 'H5' DC A 76 ... failed. Atom erased. Error: recognition of atom ATOM 2416 1H2' DC A 76 ... failed. Atom erased. Error: recognition of atom ATOM 2433 C5M DT A 77 ... failed. Atom erased. Error: recognition of atom ATOM 2437 HN3 DT A 77 ... failed. Atom erased. Error: recognition of atom ATOM 2438 1HM5 DT A 77 ... failed. Atom erased. Error: recognition of atom ATOM 2439 2HM5 DT A 77 ... failed. Atom erased. Error: recognition of atom ATOM 2440 3HM5 DT A 77 ... failed. Atom erased. Error: recognition of atom ATOM 2443 2H2' DT A 77 ... failed. Atom erased. Error: recognition of atom ATOM 2447 'H5' DT A 77 ... failed. Atom erased. Error: recognition of atom ATOM 2448 1H2' DT A 77 ... failed. Atom erased. Error: recognition of atom ATOM 2473 2H2' DA A 78 ... failed. Atom erased. Error: recognition of atom ATOM 2479 'H5' DA A 78 ... failed. Atom erased. Error: recognition of atom ATOM 2480 1H2' DA A 78 ... failed. Atom erased. Error: recognition of atom ATOM 2506 2H2' DG A 79 ... failed. Atom erased. Error: recognition of atom ATOM 2512 'H5' DG A 79 ... failed. Atom erased. Error: recognition of atom ATOM 2513 1H2' DG A 79 ... failed. Atom erased. Error: recognition of atom ATOM 2538 2H2' DA A 80 ... failed. Atom erased. Error: recognition of atom ATOM 2544 'H5' DA A 80 ... failed. Atom erased. Error: recognition of atom ATOM 2545 1H2' DA A 80 ... failed. Atom erased. Error: recognition of atom ATOM 2570 2H2' DA A 81 ... failed. Atom erased. Error: recognition of atom ATOM 2576 'H5' DA A 81 ... failed. Atom erased. Error: recognition of atom ATOM 2577 1H2' DA A 81 ... failed. Atom erased. Error: recognition of atom ATOM 2594 C5M DT A 82 ... failed. Atom erased. Error: recognition of atom ATOM 2598 HN3 DT A 82 ... failed. Atom erased. Error: recognition of atom ATOM 2599 1HM5 DT A 82 ... failed. Atom erased. Error: recognition of atom ATOM 2600 2HM5 DT A 82 ... failed. Atom erased. Error: recognition of atom ATOM 2601 3HM5 DT A 82 ... failed. Atom erased. Error: recognition of atom ATOM 2604 2H2' DT A 82 ... failed. Atom erased. Error: recognition of atom ATOM 2608 'H5' DT A 82 ... failed. Atom erased. Error: recognition of atom ATOM 2609 1H2' DT A 82 ... failed. Atom erased. Error: recognition of atom ATOM 2634 2H2' DA A 83 ... failed. Atom erased. Error: recognition of atom ATOM 2640 'H5' DA A 83 ... failed. Atom erased. Error: recognition of atom ATOM 2641 1H2' DA A 83 ... failed. Atom erased. Error: recognition of atom ATOM 2664 2H2' DC A 84 ... failed. Atom erased. Error: recognition of atom ATOM 2670 'H5' DC A 84 ... failed. Atom erased. Error: recognition of atom ATOM 2671 1H2' DC A 84 ... failed. Atom erased. Error: recognition of atom ATOM 2694 2H2' DC A 85 ... failed. Atom erased. Error: recognition of atom ATOM 2700 'H5' DC A 85 ... failed. Atom erased. Error: recognition of atom ATOM 2701 1H2' DC A 85 ... failed. Atom erased. Error: recognition of atom ATOM 2726 2H2' DA A 86 ... failed. Atom erased. Error: recognition of atom ATOM 2732 'H5' DA A 86 ... failed. Atom erased. Error: recognition of atom ATOM 2733 1H2' DA A 86 ... failed. Atom erased. Error: recognition of atom ATOM 2756 'HO3 DG A 87 ... failed. Atom erased. Error: recognition of atom ATOM 2760 2H2' DG A 87 ... failed. Atom erased. Error: recognition of atom ATOM 2766 'H5' DG A 87 ... failed. Atom erased. Error: recognition of atom ATOM 2767 1H2' DG A 87 ... failed. Atom erased. Missing atom added: HETATM 1 P DA A 1 0.215 0.719 -2.589 1.00 0.00 P Missing atom added: HETATM 24 H5'2 DA A 1 1.826 -0.783 -0.645 1.00 0.00 H Missing atom added: HETATM 11 H2'2 DA A 1 2.197 -0.037 3.704 1.00 0.00 H Missing atom added: HETATM 27 H2' DA A 1 0.203 -0.107 3.832 1.00 0.00 H Missing atom added: HETATM 22 H5'2 DT A 2 0.350 -4.111 4.480 1.00 0.00 H Missing atom added: HETATM 25 H2' DT A 2 -3.466 -3.061 6.801 1.00 0.00 H Missing atom added: HETATM 26 H2'2 DT A 2 -3.206 -4.632 7.548 1.00 0.00 H Missing atom added: HETATM 28 H3 DT A 2 -6.930 -1.098 4.736 1.00 0.00 H Missing atom added: HETATM 19 C7 DT A 2 -3.675 -1.995 1.639 1.00 0.00 C Missing atom added: HETATM 30 H72 DT A 2 -3.608 -1.003 1.192 1.00 0.00 H Missing atom added: HETATM 29 H71 DT A 2 -4.371 -2.606 1.060 1.00 0.00 H Missing atom added: HETATM 31 H73 DT A 2 -2.690 -2.464 1.624 1.00 0.00 H Missing atom added: HETATM 24 H5'2 DA A 3 -3.657 -7.956 7.450 1.00 0.00 H Missing atom added: HETATM 11 H2'2 DA A 3 -7.531 -6.944 9.270 1.00 0.00 H Missing atom added: HETATM 27 H2' DA A 3 -8.294 -7.182 7.437 1.00 0.00 H Missing atom added: HETATM 25 H5'2 DG A 4 -9.044 -10.909 7.830 1.00 0.00 H Missing atom added: HETATM 11 H2'2 DG A 4 -13.107 -9.331 7.342 1.00 0.00 H Missing atom added: HETATM 28 H2' DG A 4 -12.844 -9.714 5.397 1.00 0.00 H Missing atom added: HETATM 22 H5'2 DC A 5 -14.420 -13.532 4.930 1.00 0.00 H Missing atom added: HETATM 11 H2'2 DC A 5 -17.096 -12.016 1.682 1.00 0.00 H Missing atom added: HETATM 25 H2' DC A 5 -15.398 -12.110 0.631 1.00 0.00 H Missing atom added: HETATM 24 H5'2 DA A 6 -16.659 -15.705 -0.340 1.00 0.00 H Missing atom added: HETATM 11 H2'2 DA A 6 -17.863 -14.390 -4.358 1.00 0.00 H Missing atom added: HETATM 27 H2' DA A 6 -15.932 -14.737 -4.742 1.00 0.00 H Missing atom added: HETATM 22 H5'2 DT A 7 -16.694 -18.174 -6.068 1.00 0.00 H Missing atom added: HETATM 25 H2' DT A 7 -12.859 -16.455 -8.157 1.00 0.00 H Missing atom added: HETATM 26 H2'2 DT A 7 -13.150 -17.698 -9.367 1.00 0.00 H Missing atom added: HETATM 28 H3 DT A 7 -9.584 -14.650 -5.603 1.00 0.00 H Missing atom added: HETATM 19 C7 DT A 7 -12.172 -17.428 -3.010 1.00 0.00 C Missing atom added: HETATM 30 H72 DT A 7 -12.294 -16.752 -2.169 1.00 0.00 H Missing atom added: HETATM 29 H71 DT A 7 -11.323 -18.087 -2.835 1.00 0.00 H Missing atom added: HETATM 31 H73 DT A 7 -13.074 -18.020 -3.141 1.00 0.00 H Missing atom added: HETATM 25 H5'2 DG A 8 -12.712 -20.769 -10.626 1.00 0.00 H Missing atom added: HETATM 11 H2'2 DG A 8 -9.109 -19.908 -12.892 1.00 0.00 H Missing atom added: HETATM 28 H2' DG A 8 -8.214 -20.488 -11.200 1.00 0.00 H Missing atom added: HETATM 24 H5'2 DA A 9 -7.974 -23.996 -12.467 1.00 0.00 H Missing atom added: HETATM 11 H2'2 DA A 9 -3.756 -22.828 -12.479 1.00 0.00 H Missing atom added: HETATM 27 H2' DA A 9 -3.721 -23.509 -10.599 1.00 0.00 H Missing atom added: HETATM 24 H5'2 DA A 10 -2.631 -27.031 -11.486 1.00 0.00 H Missing atom added: HETATM 11 H2'2 DA A 10 0.866 -25.995 -9.084 1.00 0.00 H Missing atom added: HETATM 27 H2' DA A 10 -0.156 -26.721 -7.526 1.00 0.00 H Missing atom added: HETATM 22 H5'2 DT A 11 0.860 -30.540 -7.889 1.00 0.00 H Missing atom added: HETATM 25 H2' DT A 11 0.021 -29.056 -3.547 1.00 0.00 H Missing atom added: HETATM 26 H2'2 DT A 11 0.900 -30.498 -3.053 1.00 0.00 H Missing atom added: HETATM 28 H3 DT A 11 -3.672 -27.596 -1.934 1.00 0.00 H Missing atom added: HETATM 19 C7 DT A 11 -4.326 -28.849 -6.337 1.00 0.00 C Missing atom added: HETATM 30 H72 DT A 11 -4.958 -28.001 -6.609 1.00 0.00 H Missing atom added: HETATM 29 H71 DT A 11 -4.963 -29.692 -6.055 1.00 0.00 H Missing atom added: HETATM 31 H73 DT A 11 -3.723 -29.135 -7.203 1.00 0.00 H Missing atom added: HETATM 22 H5'2 DT A 12 1.392 -34.068 -2.489 1.00 0.00 H Missing atom added: HETATM 25 H2' DT A 12 -1.202 -33.009 1.269 1.00 0.00 H Missing atom added: HETATM 26 H2'2 DT A 12 -0.631 -34.565 1.859 1.00 0.00 H Missing atom added: HETATM 28 H3 DT A 12 -5.126 -30.907 0.783 1.00 0.00 H Missing atom added: HETATM 19 C7 DT A 12 -3.604 -32.071 -3.379 1.00 0.00 C Missing atom added: HETATM 30 H72 DT A 12 -3.675 -31.095 -3.860 1.00 0.00 H Missing atom added: HETATM 29 H71 DT A 12 -4.515 -32.640 -3.581 1.00 0.00 H Missing atom added: HETATM 31 H73 DT A 12 -2.748 -32.611 -3.786 1.00 0.00 H Missing atom added: HETATM 22 H5'2 DC A 13 -1.239 -38.158 1.684 1.00 0.00 H Missing atom added: HETATM 11 H2'2 DC A 13 -4.289 -37.632 4.806 1.00 0.00 H Missing atom added: HETATM 25 H2' DC A 13 -5.572 -37.749 3.278 1.00 0.00 H Missing atom added: HETATM 22 H5'2 DC A 14 -5.825 -41.795 3.871 1.00 0.00 H Missing atom added: HETATM 11 H2'2 DC A 14 -9.715 -40.576 5.239 1.00 0.00 H Missing atom added: HETATM 25 H2' DC A 14 -10.202 -40.449 3.305 1.00 0.00 H Missing atom added: HETATM 22 H5'2 DC A 15 -11.856 -43.948 3.218 1.00 0.00 H Missing atom added: HETATM 11 H2'2 DC A 15 -14.723 -41.335 0.494 1.00 0.00 H Missing atom added: HETATM 25 H2' DC A 15 -13.591 -41.830 -1.077 1.00 0.00 H Missing atom added: HETATM 25 H5'2 DG A 16 -14.596 -43.192 -1.414 1.00 0.00 H Missing atom added: HETATM 11 H2'2 DG A 16 -14.357 -46.097 -4.486 1.00 0.00 H Missing atom added: HETATM 28 H2' DG A 16 -14.521 -47.545 -3.117 1.00 0.00 H Missing atom added: HETATM 24 H5'2 DA A 17 -16.519 -48.089 -6.491 1.00 0.00 H Missing atom added: HETATM 11 H2'2 DA A 17 -15.698 -47.290 -9.704 1.00 0.00 H Missing atom added: HETATM 27 H2' DA A 17 -14.217 -48.632 -9.643 1.00 0.00 H Missing atom added: HETATM 24 H5'2 DA A 18 -19.207 -51.583 -9.817 1.00 0.00 H Missing atom added: HETATM 11 H2'2 DA A 18 -18.450 -49.530 -14.224 1.00 0.00 H Missing atom added: HETATM 27 H2' DA A 18 -16.817 -50.604 -14.641 1.00 0.00 H Missing atom added: HETATM 25 H5'2 DG A 19 -17.522 -54.074 -16.400 1.00 0.00 H Missing atom added: HETATM 11 H2'2 DG A 19 -13.678 -53.914 -18.463 1.00 0.00 H Missing atom added: HETATM 28 H2' DG A 19 -13.090 -55.137 -16.994 1.00 0.00 H Missing atom added: HETATM 24 H5'2 DA A 20 -13.598 -58.137 -19.159 1.00 0.00 H Missing atom added: HETATM 11 H2'2 DA A 20 -9.229 -58.393 -18.000 1.00 0.00 H Missing atom added: HETATM 27 H2' DA A 20 -9.820 -59.317 -16.329 1.00 0.00 H Missing atom added: HETATM 22 H5'2 DC A 21 -8.985 -62.722 -17.715 1.00 0.00 H Missing atom added: HETATM 11 H2'2 DC A 21 -5.711 -63.525 -14.867 1.00 0.00 H Missing atom added: HETATM 25 H2' DC A 21 -7.262 -63.913 -13.666 1.00 0.00 H Missing atom added: HETATM 25 H5'2 DG A 22 -7.544 -67.494 -14.240 1.00 0.00 H Missing atom added: HETATM 11 H2'2 DG A 22 -7.514 -67.367 -9.739 1.00 0.00 H Missing atom added: HETATM 28 H2' DG A 22 -9.483 -67.656 -9.933 1.00 0.00 H Missing atom added: HETATM 22 H5'2 DC A 23 -9.280 -71.880 -9.995 1.00 0.00 H Missing atom added: HETATM 11 H2'2 DC A 23 -11.854 -72.371 -6.528 1.00 0.00 H Missing atom added: HETATM 25 H2' DC A 23 -13.299 -72.175 -7.897 1.00 0.00 H Missing atom added: HETATM 22 H5'2 DC A 24 -13.804 -76.081 -8.944 1.00 0.00 H Missing atom added: HETATM 11 H2'2 DC A 24 -17.938 -75.431 -7.610 1.00 0.00 H Missing atom added: HETATM 25 H2' DC A 24 -18.243 -74.620 -9.412 1.00 0.00 H Missing atom added: HETATM 25 H5'2 DG A 25 -19.207 -78.370 -10.542 1.00 0.00 H Missing atom added: HETATM 11 H2'2 DG A 25 -23.328 -77.234 -10.724 1.00 0.00 H Missing atom added: HETATM 28 H2' DG A 25 -22.928 -76.649 -12.594 1.00 0.00 H Missing atom added: HETATM 24 H5'2 DA A 26 -24.037 -79.756 -14.504 1.00 0.00 H Missing atom added: HETATM 11 H2'2 DA A 26 -26.258 -76.916 -16.968 1.00 0.00 H Missing atom added: HETATM 27 H2' DA A 26 -24.621 -76.675 -18.089 1.00 0.00 H Missing atom added: HETATM 22 H5'2 DC A 27 -25.991 -79.488 -20.662 1.00 0.00 H Missing atom added: HETATM 11 H2'2 DC A 27 -26.437 -75.904 -23.281 1.00 0.00 H Missing atom added: HETATM 25 H2' DC A 27 -24.463 -75.967 -23.590 1.00 0.00 H Missing atom added: HETATM 22 H5'2 DC A 28 -26.140 -77.563 -26.820 1.00 0.00 H Missing atom added: HETATM 11 H2'2 DC A 28 -24.871 -74.483 -29.319 1.00 0.00 H Missing atom added: HETATM 25 H2' DC A 28 -22.975 -75.015 -28.975 1.00 0.00 H Missing atom added: HETATM 22 H5'2 DC A 29 -26.988 -79.581 -29.014 1.00 0.00 H Missing atom added: HETATM 11 H2'2 DC A 29 -27.373 -77.895 -33.726 1.00 0.00 H Missing atom added: HETATM 25 H2' DC A 29 -25.740 -78.893 -34.304 1.00 0.00 H Missing atom added: HETATM 24 H5'2 DA A 30 -29.191 -82.051 -35.157 1.00 0.00 H Missing atom added: HETATM 11 H2'2 DA A 30 -29.841 -82.661 -39.399 1.00 0.00 H Missing atom added: HETATM 27 H2' DA A 30 -28.655 -84.231 -39.046 1.00 0.00 H Missing atom added: HETATM 22 H5'2 DT A 31 -31.239 -87.088 -37.938 1.00 0.00 H Missing atom added: HETATM 25 H2' DT A 31 -27.131 -88.954 -39.051 1.00 0.00 H Missing atom added: HETATM 26 H2'2 DT A 31 -28.043 -90.453 -39.173 1.00 0.00 H Missing atom added: HETATM 28 H3 DT A 31 -23.093 -87.692 -37.673 1.00 0.00 H Missing atom added: HETATM 19 C7 DT A 31 -26.266 -85.797 -34.948 1.00 0.00 C Missing atom added: HETATM 30 H72 DT A 31 -25.904 -84.770 -35.052 1.00 0.00 H Missing atom added: HETATM 29 H71 DT A 31 -25.802 -86.248 -34.064 1.00 0.00 H Missing atom added: HETATM 31 H73 DT A 31 -27.350 -85.775 -34.801 1.00 0.00 H Missing atom added: HETATM 24 H5'2 DA A 32 -28.756 -93.576 -37.749 1.00 0.00 H Missing atom added: HETATM 11 H2'2 DA A 32 -24.558 -95.085 -37.255 1.00 0.00 H Missing atom added: HETATM 27 H2' DA A 32 -24.703 -94.321 -35.413 1.00 0.00 H Missing atom added: HETATM 24 H5'2 DA A 33 -26.430 -96.832 -32.919 1.00 0.00 H Missing atom added: HETATM 11 H2'2 DA A 33 -23.587 -95.653 -29.896 1.00 0.00 H Missing atom added: HETATM 27 H2' DA A 33 -24.943 -94.266 -29.411 1.00 0.00 H Missing atom added: HETATM 24 H5'2 DA A 34 -29.206 -94.815 -28.458 1.00 0.00 H Missing atom added: HETATM 11 H2'2 DA A 34 -28.774 -92.668 -24.147 1.00 0.00 H Missing atom added: HETATM 27 H2' DA A 34 -26.847 -92.354 -24.575 1.00 0.00 H Missing atom added: HETATM 24 H5'2 DA A 35 -26.496 -89.090 -26.132 1.00 0.00 H Missing atom added: HETATM 11 H2'2 DA A 35 -23.312 -88.334 -23.246 1.00 0.00 H Missing atom added: HETATM 27 H2' DA A 35 -22.138 -88.711 -24.820 1.00 0.00 H Missing atom added: HETATM 22 H5'2 DT A 36 -22.487 -84.823 -25.341 1.00 0.00 H Missing atom added: HETATM 25 H2' DT A 36 -22.305 -84.842 -28.162 1.00 0.00 H Missing atom added: HETATM 26 H2'2 DT A 36 -20.901 -83.973 -28.770 1.00 0.00 H Missing atom added: HETATM 28 H3 DT A 36 -18.162 -88.676 -30.674 1.00 0.00 H Missing atom added: HETATM 19 C7 DT A 36 -22.736 -88.099 -30.834 1.00 0.00 C Missing atom added: HETATM 30 H72 DT A 36 -23.029 -89.110 -30.546 1.00 0.00 H Missing atom added: HETATM 29 H71 DT A 36 -22.732 -88.022 -31.924 1.00 0.00 H Missing atom added: HETATM 31 H73 DT A 36 -23.457 -87.388 -30.429 1.00 0.00 H Missing atom added: HETATM 24 H5'2 DA A 37 -20.766 -80.377 -27.901 1.00 0.00 H Missing atom added: HETATM 11 H2'2 DA A 37 -19.495 -77.776 -30.185 1.00 0.00 H Missing atom added: HETATM 27 H2' DA A 37 -17.703 -78.302 -29.472 1.00 0.00 H Missing atom added: HETATM 24 H5'2 DA A 38 -17.040 -81.440 -31.364 1.00 0.00 H Missing atom added: HETATM 11 H2'2 DA A 38 -13.845 -78.594 -32.587 1.00 0.00 H Missing atom added: HETATM 27 H2' DA A 38 -12.773 -79.312 -31.060 1.00 0.00 H Missing atom added: HETATM 25 H5'2 DG A 39 -10.953 -81.910 -33.203 1.00 0.00 H Missing atom added: HETATM 11 H2'2 DG A 39 -7.373 -79.944 -31.632 1.00 0.00 H Missing atom added: HETATM 28 H2' DG A 39 -7.494 -81.128 -30.026 1.00 0.00 H Missing atom added: HETATM 22 H5'2 DC A 40 -4.763 -83.258 -31.931 1.00 0.00 H Missing atom added: HETATM 11 H2'2 DC A 40 -2.483 -81.856 -28.210 1.00 0.00 H Missing atom added: HETATM 25 H2' DC A 40 -3.481 -83.269 -27.208 1.00 0.00 H Missing atom added: HETATM 24 H5'2 DA A 41 -0.575 -85.689 -27.824 1.00 0.00 H Missing atom added: HETATM 11 H2'2 DA A 41 0.061 -85.158 -23.522 1.00 0.00 H Missing atom added: HETATM 27 H2' DA A 41 -1.266 -86.639 -23.319 1.00 0.00 H Missing atom added: HETATM 25 H5'2 DG A 42 -1.014 -90.266 -24.232 1.00 0.00 H Missing atom added: HETATM 11 H2'2 DG A 42 1.672 -90.956 -20.177 1.00 0.00 H Missing atom added: HETATM 28 H2' DG A 42 1.888 -88.999 -19.832 1.00 0.00 H Missing atom added: HETATM 22 H5'2 DC A 43 -4.425 -89.629 -22.378 1.00 0.00 H Missing atom added: HETATM 11 H2'2 DC A 43 -6.409 -92.449 -23.705 1.00 0.00 H Missing atom added: HETATM 25 H2' DC A 43 -6.127 -92.484 -25.684 1.00 0.00 H Missing atom added: HETATM 24 H5'2 DA A 44 -5.345 -94.486 -27.490 1.00 0.00 H Missing atom added: HETATM 11 H2'2 DA A 44 -7.860 -98.498 -28.237 1.00 0.00 H Missing atom added: HETATM 27 H2' DA A 44 -8.573 -98.438 -26.370 1.00 0.00 H Missing atom added: HETATM 25 H5'2 DG A 45 -11.757 -96.340 -26.445 1.00 0.00 H Missing atom added: HETATM 11 H2'2 DG A 45 -13.741 -99.483 -24.511 1.00 0.00 H Missing atom added: HETATM 28 H2' DG A 45 -13.313 -98.516 -22.814 1.00 0.00 H Missing atom added: HETATM 25 H5'2 DG A 46 -16.168 -95.814 -21.696 1.00 0.00 H Missing atom added: HETATM 11 H2'2 DG A 46 -14.780 -96.273 -17.461 1.00 0.00 H Missing atom added: HETATM 28 H2' DG A 46 -13.425 -94.866 -17.886 1.00 0.00 H Missing atom added: HETATM 24 H5'2 DA A 47 -15.336 -92.035 -16.683 1.00 0.00 H Missing atom added: HETATM 11 H2'2 DA A 47 -11.792 -92.026 -14.032 1.00 0.00 H Missing atom added: HETATM 27 H2' DA A 47 -10.947 -90.832 -15.396 1.00 0.00 H Missing atom added: HETATM 22 H5'2 DT A 48 -12.095 -87.822 -13.478 1.00 0.00 H Missing atom added: HETATM 25 H2' DT A 48 -8.246 -87.477 -16.418 1.00 0.00 H Missing atom added: HETATM 26 H2'2 DT A 48 -7.786 -86.102 -15.421 1.00 0.00 H Missing atom added: HETATM 28 H3 DT A 48 -7.880 -87.583 -20.731 1.00 0.00 H Missing atom added: HETATM 19 C7 DT A 48 -12.253 -88.288 -19.504 1.00 0.00 C Missing atom added: HETATM 30 H72 DT A 48 -12.375 -89.167 -20.132 1.00 0.00 H Missing atom added: HETATM 29 H71 DT A 48 -12.586 -87.402 -20.042 1.00 0.00 H Missing atom added: HETATM 31 H73 DT A 48 -12.837 -88.403 -18.594 1.00 0.00 H Missing atom added: HETATM 25 H5'2 DG A 49 -7.490 -82.971 -14.186 1.00 0.00 H Missing atom added: HETATM 11 H2'2 DG A 49 -3.845 -82.151 -16.702 1.00 0.00 H Missing atom added: HETATM 28 H2' DG A 49 -5.268 -81.571 -17.982 1.00 0.00 H Missing atom added: HETATM 25 H5'2 DG A 50 -4.926 -77.734 -14.688 1.00 0.00 H Missing atom added: HETATM 11 H2'2 DG A 50 -2.302 -76.373 -18.413 1.00 0.00 H Missing atom added: HETATM 28 H2' DG A 50 -3.975 -76.143 -19.483 1.00 0.00 H Missing atom added: HETATM 22 H5'2 DT A 51 -6.890 -73.711 -19.181 1.00 0.00 H Missing atom added: HETATM 25 H2' DT A 51 -6.488 -74.970 -23.142 1.00 0.00 H Missing atom added: HETATM 26 H2'2 DT A 51 -6.231 -73.396 -23.884 1.00 0.00 H Missing atom added: HETATM 28 H3 DT A 51 -9.814 -77.550 -24.265 1.00 0.00 H Missing atom added: HETATM 19 C7 DT A 51 -9.752 -77.485 -19.661 1.00 0.00 C Missing atom added: HETATM 30 H72 DT A 51 -9.923 -78.554 -19.529 1.00 0.00 H Missing atom added: HETATM 29 H71 DT A 51 -10.709 -76.959 -19.618 1.00 0.00 H Missing atom added: HETATM 31 H73 DT A 51 -9.110 -77.122 -18.856 1.00 0.00 H Missing atom added: HETATM 22 H5'2 DT A 52 -7.812 -69.878 -24.194 1.00 0.00 H Missing atom added: HETATM 25 H2' DT A 52 -10.812 -72.124 -26.925 1.00 0.00 H Missing atom added: HETATM 26 H2'2 DT A 52 -11.210 -70.507 -27.491 1.00 0.00 H Missing atom added: HETATM 28 H3 DT A 52 -13.689 -74.532 -25.122 1.00 0.00 H Missing atom added: HETATM 19 C7 DT A 52 -10.354 -74.262 -22.017 1.00 0.00 C Missing atom added: HETATM 30 H72 DT A 52 -10.271 -75.327 -21.800 1.00 0.00 H Missing atom added: HETATM 29 H71 DT A 52 -11.033 -73.798 -21.298 1.00 0.00 H Missing atom added: HETATM 31 H73 DT A 52 -9.371 -73.799 -21.932 1.00 0.00 H Missing atom added: HETATM 25 H5'2 DG A 53 -12.320 -67.246 -27.818 1.00 0.00 H Missing atom added: HETATM 11 H2'2 DG A 53 -15.463 -68.033 -30.473 1.00 0.00 H Missing atom added: HETATM 28 H2' DG A 53 -16.546 -68.578 -28.884 1.00 0.00 H Missing atom added: HETATM 25 H5'2 DG A 54 -17.040 -64.954 -26.764 1.00 0.00 H Missing atom added: HETATM 11 H2'2 DG A 54 -21.058 -66.897 -26.854 1.00 0.00 H Missing atom added: HETATM 28 H2' DG A 54 -20.645 -67.667 -25.056 1.00 0.00 H Missing atom added: HETATM 22 H5'2 DT A 55 -22.557 -64.901 -23.846 1.00 0.00 H Missing atom added: HETATM 25 H2' DT A 55 -24.023 -68.704 -21.586 1.00 0.00 H Missing atom added: HETATM 26 H2'2 DT A 55 -25.283 -67.589 -21.071 1.00 0.00 H Missing atom added: HETATM 28 H3 DT A 55 -21.186 -71.064 -19.217 1.00 0.00 H Missing atom added: HETATM 19 C7 DT A 55 -18.721 -67.709 -21.117 1.00 0.00 C Missing atom added: HETATM 30 H72 DT A 55 -17.880 -68.327 -21.423 1.00 0.00 H Missing atom added: HETATM 29 H71 DT A 55 -18.515 -67.264 -20.144 1.00 0.00 H Missing atom added: HETATM 31 H73 DT A 55 -18.880 -66.920 -21.850 1.00 0.00 H Missing atom added: HETATM 22 H5'2 DC A 56 -26.450 -64.400 -18.750 1.00 0.00 H Missing atom added: HETATM 11 H2'2 DC A 56 -27.692 -67.572 -15.659 1.00 0.00 H Missing atom added: HETATM 25 H2' DC A 56 -25.773 -67.553 -15.098 1.00 0.00 H Missing atom added: HETATM 24 H5'2 DA A 57 -26.954 -65.241 -12.386 1.00 0.00 H Missing atom added: HETATM 11 H2'2 DA A 57 -26.861 -68.206 -9.253 1.00 0.00 H Missing atom added: HETATM 27 H2' DA A 57 -24.897 -67.834 -9.268 1.00 0.00 H Missing atom added: HETATM 25 H5'2 DG A 58 -25.366 -65.344 -6.370 1.00 0.00 H Missing atom added: HETATM 11 H2'2 DG A 58 -22.589 -68.263 -4.549 1.00 0.00 H Missing atom added: HETATM 28 H2' DG A 58 -21.081 -67.350 -5.492 1.00 0.00 H Missing atom added: HETATM 22 H5'2 DC A 59 -20.274 -65.274 -2.553 1.00 0.00 H Missing atom added: HETATM 11 H2'2 DC A 59 -16.407 -67.646 -3.037 1.00 0.00 H Missing atom added: HETATM 25 H2' DC A 59 -15.828 -66.151 -4.231 1.00 0.00 H Missing atom added: HETATM 24 H5'2 DA A 60 -17.736 -63.727 -0.120 1.00 0.00 H Missing atom added: HETATM 11 H2'2 DA A 60 -16.020 -61.600 -0.319 1.00 0.00 H Missing atom added: HETATM 27 H2' DA A 60 -17.604 -60.931 0.701 1.00 0.00 H Missing atom added: HETATM 22 H5'2 DT A 61 -15.123 -60.389 3.284 1.00 0.00 H Missing atom added: HETATM 25 H2' DT A 61 -16.145 -58.575 5.809 1.00 0.00 H Missing atom added: HETATM 26 H2'2 DT A 61 -17.689 -58.528 6.652 1.00 0.00 H Missing atom added: HETATM 28 H3 DT A 61 -16.016 -58.070 10.162 1.00 0.00 H Missing atom added: HETATM 19 C7 DT A 61 -13.203 -61.504 8.981 1.00 0.00 C Missing atom added: HETATM 30 H72 DT A 61 -13.152 -61.972 9.963 1.00 0.00 H Missing atom added: HETATM 29 H71 DT A 61 -12.362 -60.818 8.861 1.00 0.00 H Missing atom added: HETATM 31 H73 DT A 61 -13.152 -62.273 8.211 1.00 0.00 H Missing atom added: HETATM 22 H5'2 DT A 62 -17.573 -58.269 2.574 1.00 0.00 H Missing atom added: HETATM 25 H2' DT A 62 -20.262 -56.394 3.308 1.00 0.00 H Missing atom added: HETATM 26 H2'2 DT A 62 -20.287 -54.705 2.817 1.00 0.00 H Missing atom added: HETATM 28 H3 DT A 62 -24.686 -55.165 -0.313 1.00 0.00 H Missing atom added: HETATM 19 C7 DT A 62 -23.836 -58.991 2.050 1.00 0.00 C Missing atom added: HETATM 30 H72 DT A 62 -24.011 -59.719 1.255 1.00 0.00 H Missing atom added: HETATM 29 H71 DT A 62 -24.759 -58.863 2.624 1.00 0.00 H Missing atom added: HETATM 31 H73 DT A 62 -23.057 -59.372 2.715 1.00 0.00 H Missing atom added: HETATM 24 H5'2 DA A 63 -14.065 -54.721 1.431 1.00 0.00 H Missing atom added: HETATM 11 H2'2 DA A 63 -15.787 -52.723 -2.143 1.00 0.00 H Missing atom added: HETATM 27 H2' DA A 63 -15.094 -51.418 -0.796 1.00 0.00 H Missing atom added: HETATM 22 H5'2 DT A 64 -9.916 -55.134 0.160 1.00 0.00 H Missing atom added: HETATM 25 H2' DT A 64 -10.933 -56.544 -2.499 1.00 0.00 H Missing atom added: HETATM 26 H2'2 DT A 64 -11.344 -58.252 -2.588 1.00 0.00 H Missing atom added: HETATM 28 H3 DT A 64 -16.560 -58.518 -3.795 1.00 0.00 H Missing atom added: HETATM 19 C7 DT A 64 -13.399 -55.675 -5.615 1.00 0.00 C Missing atom added: HETATM 30 H72 DT A 64 -14.130 -54.956 -5.980 1.00 0.00 H Missing atom added: HETATM 29 H71 DT A 64 -13.149 -56.378 -6.410 1.00 0.00 H Missing atom added: HETATM 31 H73 DT A 64 -12.499 -55.151 -5.298 1.00 0.00 H Missing atom added: HETATM 25 H5'2 DG A 65 -9.786 -61.744 0.244 1.00 0.00 H Missing atom added: HETATM 11 H2'2 DG A 65 -5.832 -62.867 -2.440 1.00 0.00 H Missing atom added: HETATM 28 H2' DG A 65 -6.497 -61.987 -4.108 1.00 0.00 H Missing atom added: HETATM 22 H5'2 DT A 66 -4.123 -59.112 -3.960 1.00 0.00 H Missing atom added: HETATM 25 H2' DT A 66 -4.752 -59.241 -8.538 1.00 0.00 H Missing atom added: HETATM 26 H2'2 DT A 66 -3.252 -58.321 -8.537 1.00 0.00 H Missing atom added: HETATM 28 H3 DT A 66 -8.875 -58.116 -10.049 1.00 0.00 H Missing atom added: HETATM 19 C7 DT A 66 -8.976 -57.771 -5.508 1.00 0.00 C Missing atom added: HETATM 30 H72 DT A 66 -9.890 -58.329 -5.348 1.00 0.00 H Missing atom added: HETATM 29 H71 DT A 66 -9.186 -56.708 -5.556 1.00 0.00 H Missing atom added: HETATM 31 H73 DT A 66 -8.265 -57.978 -4.718 1.00 0.00 H Missing atom added: HETATM 22 H5'2 DC A 67 -1.556 -55.306 -8.538 1.00 0.00 H Missing atom added: HETATM 11 H2'2 DC A 67 -3.140 -54.722 -12.722 1.00 0.00 H Missing atom added: HETATM 25 H2' DC A 67 -4.650 -53.672 -11.941 1.00 0.00 H Missing atom added: HETATM 25 H5'2 DG A 68 -4.942 -50.731 -11.176 1.00 0.00 H Missing atom added: HETATM 11 H2'2 DG A 68 -8.031 -50.897 -13.231 1.00 0.00 H Missing atom added: HETATM 28 H2' DG A 68 -8.463 -49.839 -11.590 1.00 0.00 H Missing atom added: HETATM 24 H5'2 DA A 69 -5.132 -46.626 -14.848 1.00 0.00 H Missing atom added: HETATM 11 H2'2 DA A 69 -8.977 -46.347 -17.778 1.00 0.00 H Missing atom added: HETATM 27 H2' DA A 69 -9.917 -45.094 -16.536 1.00 0.00 H Missing atom added: HETATM 22 H5'2 DC A 70 -9.130 -42.067 -15.160 1.00 0.00 H Missing atom added: HETATM 11 H2'2 DC A 70 -12.145 -42.037 -13.841 1.00 0.00 H Missing atom added: HETATM 25 H2' DC A 70 -11.091 -41.667 -12.183 1.00 0.00 H Missing atom added: HETATM 25 H5'2 DG A 71 -12.590 -37.789 -12.190 1.00 0.00 H Missing atom added: HETATM 11 H2'2 DG A 71 -15.929 -38.622 -9.162 1.00 0.00 H Missing atom added: HETATM 28 H2' DG A 71 -14.443 -38.721 -7.828 1.00 0.00 H Missing atom added: HETATM 24 H5'2 DA A 72 -13.714 -32.714 -11.499 1.00 0.00 H Missing atom added: HETATM 11 H2'2 DA A 72 -15.815 -30.826 -15.113 1.00 0.00 H Missing atom added: HETATM 27 H2' DA A 72 -17.428 -31.717 -14.336 1.00 0.00 H Missing atom added: HETATM 25 H5'2 DG A 73 -18.659 -28.628 -12.403 1.00 0.00 H Missing atom added: HETATM 11 H2'2 DG A 73 -22.455 -30.101 -14.036 1.00 0.00 H Missing atom added: HETATM 28 H2' DG A 73 -22.696 -31.047 -12.291 1.00 0.00 H Missing atom added: HETATM 25 H5'2 DG A 74 -24.611 -28.531 -10.476 1.00 0.00 H Missing atom added: HETATM 11 H2'2 DG A 74 -27.656 -31.285 -11.082 1.00 0.00 H Missing atom added: HETATM 28 H2' DG A 74 -27.016 -32.108 -9.376 1.00 0.00 H Missing atom added: HETATM 22 H5'2 DT A 75 -30.164 -29.940 -8.094 1.00 0.00 H Missing atom added: HETATM 25 H2' DT A 75 -30.060 -33.374 -5.418 1.00 0.00 H Missing atom added: HETATM 26 H2'2 DT A 75 -31.629 -32.794 -4.874 1.00 0.00 H Missing atom added: HETATM 28 H3 DT A 75 -26.543 -34.922 -3.249 1.00 0.00 H Missing atom added: HETATM 19 C7 DT A 75 -25.243 -31.317 -5.773 1.00 0.00 C Missing atom added: HETATM 30 H72 DT A 75 -24.398 -31.768 -6.288 1.00 0.00 H Missing atom added: HETATM 29 H71 DT A 75 -24.897 -30.808 -4.874 1.00 0.00 H Missing atom added: HETATM 31 H73 DT A 75 -25.734 -30.603 -6.430 1.00 0.00 H Missing atom added: HETATM 22 H5'2 DC A 76 -33.555 -30.545 -2.762 1.00 0.00 H Missing atom added: HETATM 11 H2'2 DC A 76 -33.167 -33.575 0.378 1.00 0.00 H Missing atom added: HETATM 25 H2' DC A 76 -31.452 -32.688 0.894 1.00 0.00 H Missing atom added: HETATM 22 H5'2 DT A 77 -33.401 -30.900 3.576 1.00 0.00 H Missing atom added: HETATM 25 H2' DT A 77 -28.603 -31.537 4.192 1.00 0.00 H Missing atom added: HETATM 26 H2'2 DT A 77 -28.902 -30.897 5.803 1.00 0.00 H Missing atom added: HETATM 28 H3 DT A 77 -25.440 -29.853 2.110 1.00 0.00 H Missing atom added: HETATM 19 C7 DT A 77 -29.257 -28.785 -0.233 1.00 0.00 C Missing atom added: HETATM 30 H72 DT A 77 -28.883 -29.121 -1.200 1.00 0.00 H Missing atom added: HETATM 29 H71 DT A 77 -29.052 -27.719 -0.116 1.00 0.00 H Missing atom added: HETATM 31 H73 DT A 77 -30.332 -28.953 -0.182 1.00 0.00 H Missing atom added: HETATM 24 H5'2 DA A 78 -29.761 -27.893 5.851 1.00 0.00 H Missing atom added: HETATM 11 H2'2 DA A 78 -30.684 -26.950 9.107 1.00 0.00 H Missing atom added: HETATM 27 H2' DA A 78 -30.942 -28.901 8.758 1.00 0.00 H Missing atom added: HETATM 25 H5'2 DG A 79 -25.715 -26.257 8.026 1.00 0.00 H Missing atom added: HETATM 11 H2'2 DG A 79 -22.674 -29.083 7.983 1.00 0.00 H Missing atom added: HETATM 28 H2' DG A 79 -23.430 -28.628 6.189 1.00 0.00 H Missing atom added: HETATM 24 H5'2 DA A 80 -22.071 -26.553 3.373 1.00 0.00 H Missing atom added: HETATM 11 H2'2 DA A 80 -20.176 -25.603 1.596 1.00 0.00 H Missing atom added: HETATM 27 H2' DA A 80 -19.337 -27.051 2.690 1.00 0.00 H Missing atom added: HETATM 24 H5'2 DA A 81 -18.883 -30.991 2.672 1.00 0.00 H Missing atom added: HETATM 11 H2'2 DA A 81 -18.080 -32.907 6.410 1.00 0.00 H Missing atom added: HETATM 27 H2' DA A 81 -19.833 -33.792 6.037 1.00 0.00 H Missing atom added: HETATM 22 H5'2 DT A 82 -18.307 -36.976 4.328 1.00 0.00 H Missing atom added: HETATM 25 H2' DT A 82 -23.214 -37.292 4.813 1.00 0.00 H Missing atom added: HETATM 26 H2'2 DT A 82 -22.957 -39.026 4.671 1.00 0.00 H Missing atom added: HETATM 28 H3 DT A 82 -26.017 -35.080 2.326 1.00 0.00 H Missing atom added: HETATM 19 C7 DT A 82 -21.882 -33.255 1.574 1.00 0.00 C Missing atom added: HETATM 30 H72 DT A 82 -22.176 -32.236 1.775 1.00 0.00 H Missing atom added: HETATM 29 H71 DT A 82 -21.966 -33.479 0.518 1.00 0.00 H Missing atom added: HETATM 31 H73 DT A 82 -20.876 -33.440 1.924 1.00 0.00 H Missing atom added: HETATM 24 H5'2 DA A 83 -22.995 -41.984 2.859 1.00 0.00 H Missing atom added: HETATM 11 H2'2 DA A 83 -27.493 -41.302 2.152 1.00 0.00 H Missing atom added: HETATM 27 H2' DA A 83 -26.981 -40.482 0.402 1.00 0.00 H Missing atom added: HETATM 22 H5'2 DC A 84 -26.016 -41.727 -2.558 1.00 0.00 H Missing atom added: HETATM 11 H2'2 DC A 84 -29.094 -40.073 -4.836 1.00 0.00 H Missing atom added: HETATM 25 H2' DC A 84 -27.320 -39.729 -5.690 1.00 0.00 H Missing atom added: HETATM 22 H5'2 DC A 85 -27.158 -41.398 -8.979 1.00 0.00 H Missing atom added: HETATM 11 H2'2 DC A 85 -29.804 -39.025 -10.935 1.00 0.00 H Missing atom added: HETATM 25 H2' DC A 85 -27.940 -39.040 -11.658 1.00 0.00 H Missing atom added: HETATM 24 H5'2 DA A 86 -29.572 -41.883 -15.049 1.00 0.00 H Missing atom added: HETATM 11 H2'2 DA A 86 -28.394 -37.888 -17.179 1.00 0.00 H Missing atom added: HETATM 27 H2' DA A 86 -26.485 -38.469 -17.053 1.00 0.00 H Missing atom added: HETATM 25 H5'2 DG A 87 -26.743 -39.372 -20.762 1.00 0.00 H Missing atom added: HETATM 11 H2'2 DG A 87 -23.024 -36.638 -20.850 1.00 0.00 H Missing atom added: HETATM 28 H2' DG A 87 -21.878 -38.181 -20.297 1.00 0.00 H Number of atoms: 2766 Number of residues: 87 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: 2990 Number of angles built: 5423 Number of dihedrals built: 8105 Number of impropers built: 595 ----------------------------------------------------------------------------- End of molecule (chain) ----------------------------------------------------------------------------- ----------------------------------------------------------------------------- Building interresidual nonbonded pairs & H-bonds (it may take a while)... Number of electrostatic pairs: 3815582 Number of van der Waals pairs: 318946 Number of H-bonds built: 51 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 = 123289.0234 kcal/mol (122997.8048 without restraints) Performing minimization step: 2. Total energy = 120911.6835 kcal/mol (120633.0050 without restraints) Performing minimization step: 3. Total energy = 118636.3231 kcal/mol (118369.1889 without restraints) Performing minimization step: 4. Total energy = 116454.9555 kcal/mol (116198.4743 without restraints) Performing minimization step: 5. Total energy = 114360.4255 kcal/mol (114113.7982 without restraints) Performing minimization step: 6. Total energy = 112346.3187 kcal/mol (112108.8292 without restraints) Performing minimization step: 7. Total energy = 110406.8807 kcal/mol (110177.8859 without restraints) Performing minimization step: 8. Total energy = 108536.9432 kcal/mol (108315.8652 without restraints) Performing minimization step: 9. Total energy = 106731.8583 kcal/mol (106518.1771 without restraints) Performing minimization step: 10. Total energy = 104987.4383 kcal/mol (104780.6848 without restraints) Performing minimization step: 11. Total energy = 103299.9056 kcal/mol (103099.6567 without restraints) Performing minimization step: 12. Total energy = 101665.8439 kcal/mol (101471.7161 without restraints) Performing minimization step: 13. Total energy = 100082.1577 kcal/mol (99893.8032 without restraints) Performing minimization step: 14. Total energy = 98546.0356 kcal/mol (98363.1382 without restraints) Performing minimization step: 15. Total energy = 97054.9190 kcal/mol (96877.1905 without restraints) Performing minimization step: 16. Total energy = 95606.4716 kcal/mol (95433.6487 without restraints) Performing minimization step: 17. Total energy = 94198.5574 kcal/mol (94030.3990 without restraints) Performing minimization step: 18. Total energy = 92829.2174 kcal/mol (92665.5019 without restraints) Performing minimization step: 19. Total energy = 91496.6500 kcal/mol (91337.1736 without restraints) Performing minimization step: 20. Total energy = 90199.1952 kcal/mol (90043.7697 without restraints) Performing minimization step: 21. Total energy = 88935.3187 kcal/mol (88783.7700 without restraints) Performing minimization step: 22. Total energy = 87703.5995 kcal/mol (87555.7662 without restraints) Performing minimization step: 23. Total energy = 86502.7185 kcal/mol (86358.4505 without restraints) Performing minimization step: 24. Total energy = 85331.4482 kcal/mol (85190.6056 without restraints) Performing minimization step: 25. Total energy = 84188.6430 kcal/mol (84051.0954 without restraints) Performing minimization step: 26. Total energy = 83073.2329 kcal/mol (82938.8580 without restraints) Performing minimization step: 27. Total energy = 81984.2151 kcal/mol (81852.8984 without restraints) Performing minimization step: 28. Total energy = 80920.6486 kcal/mol (80792.2825 without restraints) Performing minimization step: 29. Total energy = 79881.6483 kcal/mol (79756.1315 without restraints) Performing minimization step: 30. Total energy = 78866.3805 kcal/mol (78743.6173 without restraints) Performing minimization step: 31. Total energy = 77874.0579 kcal/mol (77753.9581 without restraints) Performing minimization step: 32. Total energy = 76903.9363 kcal/mol (76786.4144 without restraints) Performing minimization step: 33. Total energy = 75955.3109 kcal/mol (75840.2860 without restraints) Performing minimization step: 34. Total energy = 75027.5130 kcal/mol (74914.9082 without restraints) Performing minimization step: 35. Total energy = 74119.9079 kcal/mol (74009.6501 without restraints) Performing minimization step: 36. Total energy = 73231.8905 kcal/mol (73123.9102 without restraints) Performing minimization step: 37. Total energy = 72362.8856 kcal/mol (72257.1164 without restraints) Performing minimization step: 38. Total energy = 71512.3439 kcal/mol (71408.7225 without restraints) Performing minimization step: 39. Total energy = 70679.7413 kcal/mol (70578.2072 without restraints) Performing minimization step: 40. Total energy = 69864.5764 kcal/mol (69765.0717 without restraints) Performing minimization step: 41. Total energy = 69066.3692 kcal/mol (68968.8385 without restraints) Performing minimization step: 42. Total energy = 68284.6596 kcal/mol (68189.0497 without restraints) Performing minimization step: 43. Total energy = 67519.0063 kcal/mol (67425.2662 without restraints) Performing minimization step: 44. Total energy = 66768.9864 kcal/mol (66677.0672 without restraints) Performing minimization step: 45. Total energy = 66034.1918 kcal/mol (65944.0463 without restraints) Performing minimization step: 46. Total energy = 65314.2317 kcal/mol (65225.8146 without restraints) Performing minimization step: 47. Total energy = 64608.7288 kcal/mol (64521.9963 without restraints) Performing minimization step: 48. Total energy = 63917.3203 kcal/mol (63832.2306 without restraints) Performing minimization step: 49. Total energy = 63239.6558 kcal/mol (63156.1682 without restraints) Performing minimization step: 50. Total energy = 62575.3975 kcal/mol (62493.4727 without restraints) Performing minimization step: 51. Total energy = 61924.2191 kcal/mol (61843.8195 without restraints) Performing minimization step: 52. Total energy = 61285.8056 kcal/mol (61206.8944 without restraints) Performing minimization step: 53. Total energy = 60659.8520 kcal/mol (60582.3939 without restraints) Performing minimization step: 54. Total energy = 60046.0638 kcal/mol (59970.0247 without restraints) Performing minimization step: 55. Total energy = 59444.1560 kcal/mol (59369.5026 without restraints) Performing minimization step: 56. Total energy = 58853.8520 kcal/mol (58780.5523 without restraints) Performing minimization step: 57. Total energy = 58274.8843 kcal/mol (58202.9072 without restraints) Performing minimization step: 58. Total energy = 57706.9932 kcal/mol (57636.3085 without restraints) Performing minimization step: 59. Total energy = 57149.9273 kcal/mol (57080.5059 without restraints) Performing minimization step: 60. Total energy = 56603.4422 kcal/mol (56535.2555 without restraints) Performing minimization step: 61. Total energy = 56067.3008 kcal/mol (56000.3213 without restraints) Performing minimization step: 62. Total energy = 55541.2728 kcal/mol (55475.4736 without restraints) Performing minimization step: 63. Total energy = 55025.1347 kcal/mol (54960.4900 without restraints) Performing minimization step: 64. Total energy = 54518.6692 kcal/mol (54455.1536 without restraints) Performing minimization step: 65. Total energy = 54021.6648 kcal/mol (53959.2537 without restraints) Performing minimization step: 66. Total energy = 53533.9160 kcal/mol (53472.5856 without restraints) Performing minimization step: 67. Total energy = 53055.2228 kcal/mol (52994.9496 without restraints) Performing minimization step: 68. Total energy = 52585.3906 kcal/mol (52526.1520 without restraints) Performing minimization step: 69. Total energy = 52124.2297 kcal/mol (52066.0036 without restraints) Performing minimization step: 70. Total energy = 51671.5559 kcal/mol (51614.3210 without restraints) Performing minimization step: 71. Total energy = 51227.1888 kcal/mol (51170.9239 without restraints) Performing minimization step: 72. Total energy = 50790.9537 kcal/mol (50735.6387 without restraints) Performing minimization step: 73. Total energy = 50362.6802 kcal/mol (50308.2949 without restraints) Performing minimization step: 74. Total energy = 49942.2013 kcal/mol (49888.7264 without restraints) Performing minimization step: 75. Total energy = 49529.3549 kcal/mol (49476.7715 without restraints) Performing minimization step: 76. Total energy = 49123.9830 kcal/mol (49072.2726 without restraints) Performing minimization step: 77. Total energy = 48725.9303 kcal/mol (48675.0750 without restraints) Performing minimization step: 78. Total energy = 48335.0470 kcal/mol (48285.0291 without restraints) Performing minimization step: 79. Total energy = 47951.1856 kcal/mol (47901.9881 without restraints) Performing minimization step: 80. Total energy = 47574.2026 kcal/mol (47525.8087 without restraints) Performing minimization step: 81. Total energy = 47203.9578 kcal/mol (47156.3511 without restraints) Performing minimization step: 82. Total energy = 46840.3143 kcal/mol (46793.4789 without restraints) Performing minimization step: 83. Total energy = 46483.1385 kcal/mol (46437.0587 without restraints) Performing minimization step: 84. Total energy = 46132.2996 kcal/mol (46086.9603 without restraints) Performing minimization step: 85. Total energy = 45787.6700 kcal/mol (45743.0562 without restraints) Performing minimization step: 86. Total energy = 45449.1249 kcal/mol (45405.2220 without restraints) Performing minimization step: 87. Total energy = 45116.5428 kcal/mol (45073.3367 without restraints) Performing minimization step: 88. Total energy = 44789.8041 kcal/mol (44747.2809 without restraints) Performing minimization step: 89. Total energy = 44468.7924 kcal/mol (44426.9384 without restraints) Performing minimization step: 90. Total energy = 44153.3937 kcal/mol (44112.1957 without restraints) Performing minimization step: 91. Total energy = 43843.4970 kcal/mol (43802.9419 without restraints) Performing minimization step: 92. Total energy = 43538.9928 kcal/mol (43499.0680 without restraints) Performing minimization step: 93. Total energy = 43239.7745 kcal/mol (43200.4675 without restraints) Performing minimization step: 94. Total energy = 42945.7383 kcal/mol (42907.0369 without restraints) Performing minimization step: 95. Total energy = 42656.7819 kcal/mol (42618.6741 without restraints) Performing minimization step: 96. Total energy = 42372.8054 kcal/mol (42335.2797 without restraints) Performing minimization step: 97. Total energy = 42093.7113 kcal/mol (42056.7563 without restraints) Performing minimization step: 98. Total energy = 41819.4040 kcal/mol (41783.0085 without restraints) Performing minimization step: 99. Total energy = 41549.7897 kcal/mol (41513.9427 without restraints) Performing minimization step: 100. Total energy = 41284.7768 kcal/mol (41249.4676 without restraints) Writing PDB file: /home/ubuntu/rna-tools/rna_tools/tools/webserver-engine/media/jobs/4d8172bd/tmp/CPMA1_refx/CPMA1_refx.pdb ...Done. Performing minimization step: 101. Total energy = 41024.2755 kcal/mol (40989.4937 without restraints) Performing minimization step: 102. Total energy = 40768.1983 kcal/mol (40733.9336 without restraints) Performing minimization step: 103. Total energy = 40516.4588 kcal/mol (40482.7010 without restraints) Performing minimization step: 104. Total energy = 40268.9725 kcal/mol (40235.7121 without restraints) Performing minimization step: 105. Total energy = 40025.6577 kcal/mol (39992.8849 without restraints) Performing minimization step: 106. Total energy = 39786.4331 kcal/mol (39754.1385 without restraints) Performing minimization step: 107. Total energy = 39551.2200 kcal/mol (39519.3940 without restraints) Performing minimization step: 108. Total energy = 39319.9400 kcal/mol (39288.5741 without restraints) Performing minimization step: 109. Total energy = 39092.5181 kcal/mol (39061.6032 without restraints) Performing minimization step: 110. Total energy = 38868.8790 kcal/mol (38838.4064 without restraints) Performing minimization step: 111. Total energy = 38648.9505 kcal/mol (38618.9116 without restraints) Performing minimization step: 112. Total energy = 38432.6608 kcal/mol (38403.0473 without restraints) Performing minimization step: 113. Total energy = 38219.9398 kcal/mol (38190.7436 without restraints) Performing minimization step: 114. Total energy = 38010.7191 kcal/mol (37981.9321 without restraints) Performing minimization step: 115. Total energy = 37804.9313 kcal/mol (37776.5456 without restraints) Performing minimization step: 116. Total energy = 37602.5105 kcal/mol (37574.5185 without restraints) Performing minimization step: 117. Total energy = 37403.3925 kcal/mol (37375.7866 without restraints) Performing minimization step: 118. Total energy = 37207.5132 kcal/mol (37180.2859 without restraints) Performing minimization step: 119. Total energy = 37014.8108 kcal/mol (36987.9550 without restraints) Performing minimization step: 120. Total energy = 36825.2244 kcal/mol (36798.7330 without restraints) Performing minimization step: 121. Total energy = 36638.6945 kcal/mol (36612.5604 without restraints) Performing minimization step: 122. Total energy = 36455.1625 kcal/mol (36429.3789 without restraints) Performing minimization step: 123. Total energy = 36274.5710 kcal/mol (36249.1312 without restraints) Performing minimization step: 124. Total energy = 36096.8637 kcal/mol (36071.7612 without restraints) Performing minimization step: 125. Total energy = 35921.9857 kcal/mol (35897.2141 without restraints) Performing minimization step: 126. Total energy = 35749.8826 kcal/mol (35725.4354 without restraints) Performing minimization step: 127. Total energy = 35580.5017 kcal/mol (35556.3728 without restraints) Performing minimization step: 128. Total energy = 35413.7907 kcal/mol (35389.9739 without restraints) Performing minimization step: 129. Total energy = 35249.6984 kcal/mol (35226.1879 without restraints) Performing minimization step: 130. Total energy = 35088.1749 kcal/mol (35064.9648 without restraints) Performing minimization step: 131. Total energy = 34929.1713 kcal/mol (34906.2558 without restraints) Performing minimization step: 132. Total energy = 34772.6393 kcal/mol (34750.0129 without restraints) Performing minimization step: 133. Total energy = 34618.5318 kcal/mol (34596.1889 without restraints) Performing minimization step: 134. Total energy = 34466.8024 kcal/mol (34444.7376 without restraints) Performing minimization step: 135. Total energy = 34317.4057 kcal/mol (34295.6137 without restraints) Performing minimization step: 136. Total energy = 34170.2972 kcal/mol (34148.7728 without restraints) Performing minimization step: 137. Total energy = 34025.4329 kcal/mol (34004.1709 without restraints) Performing minimization step: 138. Total energy = 33882.7703 kcal/mol (33861.7658 without restraints) Performing minimization step: 139. Total energy = 33742.2672 kcal/mol (33721.5153 without restraints) Performing minimization step: 140. Total energy = 33603.8824 kcal/mol (33583.3781 without restraints) Performing minimization step: 141. Total energy = 33467.5752 kcal/mol (33447.3139 without restraints) Performing minimization step: 142. Total energy = 33333.3062 kcal/mol (33313.2833 without restraints) Performing minimization step: 143. Total energy = 33201.0364 kcal/mol (33181.2474 without restraints) Performing minimization step: 144. Total energy = 33070.7273 kcal/mol (33051.1676 without restraints) Performing minimization step: 145. Total energy = 32942.3415 kcal/mol (32923.0066 without restraints) Performing minimization step: 146. Total energy = 32815.8418 kcal/mol (32796.7274 without restraints) Performing minimization step: 147. Total energy = 32691.1926 kcal/mol (32672.2947 without restraints) Performing minimization step: 148. Total energy = 32568.3582 kcal/mol (32549.6726 without restraints) Performing minimization step: 149. Total energy = 32447.3041 kcal/mol (32428.8269 without restraints) Performing minimization step: 150. Total energy = 32327.9958 kcal/mol (32309.7226 without restraints) Performing minimization step: 151. Total energy = 32210.4000 kcal/mol (32192.3272 without restraints) Performing minimization step: 152. Total energy = 32094.4844 kcal/mol (32076.6081 without restraints) Performing minimization step: 153. Total energy = 31980.2161 kcal/mol (31962.5325 without restraints) Performing minimization step: 154. Total energy = 31867.5635 kcal/mol (31850.0688 without restraints) Performing minimization step: 155. Total energy = 31756.4960 kcal/mol (31739.1868 without restraints) Performing minimization step: 156. Total energy = 31646.9829 kcal/mol (31629.8555 without restraints) Performing minimization step: 157. Total energy = 31538.9945 kcal/mol (31522.0454 without restraints) Performing minimization step: 158. Total energy = 31432.5013 kcal/mol (31415.7271 without restraints) Performing minimization step: 159. Total energy = 31327.4746 kcal/mol (31310.8721 without restraints) Performing minimization step: 160. Total energy = 31223.8868 kcal/mol (31207.4526 without restraints) Performing minimization step: 161. Total energy = 31121.7092 kcal/mol (31105.4400 without restraints) Performing minimization step: 162. Total energy = 31020.9152 kcal/mol (31004.8078 without restraints) Performing minimization step: 163. Total energy = 30921.4783 kcal/mol (30905.5297 without restraints) Performing minimization step: 164. Total energy = 30823.3719 kcal/mol (30807.5790 without restraints) Performing minimization step: 165. Total energy = 30726.5708 kcal/mol (30710.9305 without restraints) Performing minimization step: 166. Total energy = 30631.0496 kcal/mol (30615.5591 without restraints) Performing minimization step: 167. Total energy = 30536.7837 kcal/mol (30521.4402 without restraints) Performing minimization step: 168. Total energy = 30443.7489 kcal/mol (30428.5495 without restraints) Performing minimization step: 169. Total energy = 30351.9216 kcal/mol (30336.8634 without restraints) Performing minimization step: 170. Total energy = 30261.2784 kcal/mol (30246.3587 without restraints) Performing minimization step: 171. Total energy = 30171.7964 kcal/mol (30157.0126 without restraints) Performing minimization step: 172. Total energy = 30083.4531 kcal/mol (30068.8027 without restraints) Performing minimization step: 173. Total energy = 29996.2267 kcal/mol (29981.7069 without restraints) Performing minimization step: 174. Total energy = 29910.0955 kcal/mol (29895.7039 without restraints) Performing minimization step: 175. Total energy = 29825.0387 kcal/mol (29810.7729 without restraints) Performing minimization step: 176. Total energy = 29741.0351 kcal/mol (29726.8925 without restraints) Performing minimization step: 177. Total energy = 29658.0645 kcal/mol (29644.0429 without restraints) Performing minimization step: 178. Total energy = 29576.1068 kcal/mol (29562.2038 without restraints) Performing minimization step: 179. Total energy = 29495.1425 kcal/mol (29481.3556 without restraints) Performing minimization step: 180. Total energy = 29415.1526 kcal/mol (29401.4799 without restraints) Performing minimization step: 181. Total energy = 29336.1185 kcal/mol (29322.5576 without restraints) Performing minimization step: 182. Total energy = 29258.0211 kcal/mol (29244.5700 without restraints) Performing minimization step: 183. Total energy = 29180.8430 kcal/mol (29167.4994 without restraints) Performing minimization step: 184. Total energy = 29104.5658 kcal/mol (29091.3278 without restraints) Performing minimization step: 185. Total energy = 29029.1730 kcal/mol (29016.0384 without restraints) Performing minimization step: 186. Total energy = 28954.6463 kcal/mol (28941.6133 without restraints) Performing minimization step: 187. Total energy = 28880.9704 kcal/mol (28868.0370 without restraints) Performing minimization step: 188. Total energy = 28808.1278 kcal/mol (28795.2920 without restraints) Performing minimization step: 189. Total energy = 28736.1026 kcal/mol (28723.3626 without restraints) Performing minimization step: 190. Total energy = 28664.8794 kcal/mol (28652.2333 without restraints) Performing minimization step: 191. Total energy = 28594.4426 kcal/mol (28581.8886 without restraints) Performing minimization step: 192. Total energy = 28524.7766 kcal/mol (28512.3130 without restraints) Performing minimization step: 193. Total energy = 28455.8675 kcal/mol (28443.4925 without restraints) Performing minimization step: 194. Total energy = 28387.7002 kcal/mol (28375.4121 without restraints) Performing minimization step: 195. Total energy = 28320.2605 kcal/mol (28308.0577 without restraints) Performing minimization step: 196. Total energy = 28253.5350 kcal/mol (28241.4159 without restraints) Performing minimization step: 197. Total energy = 28187.5092 kcal/mol (28175.4721 without restraints) Performing minimization step: 198. Total energy = 28122.1697 kcal/mol (28110.2130 without restraints) Performing minimization step: 199. Total energy = 28057.5040 kcal/mol (28045.6263 without restraints) Performing minimization step: 200. Total energy = 27993.4993 kcal/mol (27981.6990 without restraints) Writing PDB file: /home/ubuntu/rna-tools/rna_tools/tools/webserver-engine/media/jobs/4d8172bd/tmp/CPMA1_refx/CPMA1_refx.pdb ...Done. Performing minimization step: 201. Total energy = 27930.1421 kcal/mol (27918.4178 without restraints) Performing minimization step: 202. Total energy = 27867.4207 kcal/mol (27855.7710 without restraints) Performing minimization step: 203. Total energy = 27805.3228 kcal/mol (27793.7462 without restraints) Performing minimization step: 204. Total energy = 27743.8368 kcal/mol (27732.3320 without restraints) Performing minimization step: 205. Total energy = 27682.9506 kcal/mol (27671.5162 without restraints) Performing minimization step: 206. Total energy = 27622.6535 kcal/mol (27611.2882 without restraints) Performing minimization step: 207. Total energy = 27562.9345 kcal/mol (27551.6369 without restraints) Performing minimization step: 208. Total energy = 27503.7819 kcal/mol (27492.5508 without restraints) Performing minimization step: 209. Total energy = 27445.1851 kcal/mol (27434.0192 without restraints) Performing minimization step: 210. Total energy = 27387.1342 kcal/mol (27376.0325 without restraints) Performing minimization step: 211. Total energy = 27329.6187 kcal/mol (27318.5797 without restraints) Performing minimization step: 212. Total energy = 27272.6283 kcal/mol (27261.6509 without restraints) Performing minimization step: 213. Total energy = 27216.1535 kcal/mol (27205.2367 without restraints) Performing minimization step: 214. Total energy = 27160.1847 kcal/mol (27149.3273 without restraints) Performing minimization step: 215. Total energy = 27104.7122 kcal/mol (27093.9131 without restraints) Performing minimization step: 216. Total energy = 27049.7275 kcal/mol (27038.9857 without restraints) Performing minimization step: 217. Total energy = 26995.2209 kcal/mol (26984.5352 without restraints) Performing minimization step: 218. Total energy = 26941.1839 kcal/mol (26930.5534 without restraints) Performing minimization step: 219. Total energy = 26887.6076 kcal/mol (26877.0313 without restraints) Performing minimization step: 220. Total energy = 26834.4835 kcal/mol (26823.9603 without restraints) Performing minimization step: 221. Total energy = 26781.8036 kcal/mol (26771.3326 without restraints) Performing minimization step: 222. Total energy = 26729.5597 kcal/mol (26719.1401 without restraints) Performing minimization step: 223. Total energy = 26677.7440 kcal/mol (26667.3746 without restraints) Performing minimization step: 224. Total energy = 26626.3483 kcal/mol (26616.0284 without restraints) Performing minimization step: 225. Total energy = 26575.3656 kcal/mol (26565.0943 without restraints) Performing minimization step: 226. Total energy = 26524.7883 kcal/mol (26514.5648 without restraints) Performing minimization step: 227. Total energy = 26474.6085 kcal/mol (26464.4317 without restraints) Performing minimization step: 228. Total energy = 26424.8203 kcal/mol (26414.6895 without restraints) Performing minimization step: 229. Total energy = 26375.4157 kcal/mol (26365.3301 without restraints) Performing minimization step: 230. Total energy = 26326.3883 kcal/mol (26316.3471 without restraints) Performing minimization step: 231. Total energy = 26277.7314 kcal/mol (26267.7338 without restraints) Performing minimization step: 232. Total energy = 26229.4384 kcal/mol (26219.4835 without restraints) Performing minimization step: 233. Total energy = 26181.5028 kcal/mol (26171.5902 without restraints) Performing minimization step: 234. Total energy = 26133.9187 kcal/mol (26124.0474 without restraints) Performing minimization step: 235. Total energy = 26086.6798 kcal/mol (26076.8492 without restraints) Performing minimization step: 236. Total energy = 26039.7799 kcal/mol (26029.9894 without restraints) Performing minimization step: 237. Total energy = 25993.2138 kcal/mol (25983.4627 without restraints) Performing minimization step: 238. Total energy = 25946.9752 kcal/mol (25937.2627 without restraints) Performing minimization step: 239. Total energy = 25901.0584 kcal/mol (25891.3838 without restraints) Performing minimization step: 240. Total energy = 25855.4585 kcal/mol (25845.8213 without restraints) Performing minimization step: 241. Total energy = 25810.1692 kcal/mol (25800.5687 without restraints) Performing minimization step: 242. Total energy = 25765.1870 kcal/mol (25755.6226 without restraints) Performing minimization step: 243. Total energy = 25720.5051 kcal/mol (25710.9763 without restraints) Performing minimization step: 244. Total energy = 25676.1190 kcal/mol (25666.6251 without restraints) Performing minimization step: 245. Total energy = 25632.0237 kcal/mol (25622.5640 without restraints) Performing minimization step: 246. Total energy = 25588.2147 kcal/mol (25578.7890 without restraints) Performing minimization step: 247. Total energy = 25544.6877 kcal/mol (25535.2951 without restraints) Performing minimization step: 248. Total energy = 25501.4365 kcal/mol (25492.0768 without restraints) Performing minimization step: 249. Total energy = 25458.4583 kcal/mol (25449.1308 without restraints) Performing minimization step: 250. Total energy = 25415.7481 kcal/mol (25406.4523 without restraints) Performing minimization step: 251. Total energy = 25373.3014 kcal/mol (25364.0368 without restraints) Performing minimization step: 252. Total energy = 25331.1142 kcal/mol (25321.8803 without restraints) Performing minimization step: 253. Total energy = 25289.1825 kcal/mol (25279.9788 without restraints) Performing minimization step: 254. Total energy = 25247.5020 kcal/mol (25238.3281 without restraints) Performing minimization step: 255. Total energy = 25206.0691 kcal/mol (25196.9245 without restraints) Performing minimization step: 256. Total energy = 25164.8799 kcal/mol (25155.7641 without restraints) Performing minimization step: 257. Total energy = 25123.9299 kcal/mol (25114.8425 without restraints) Performing minimization step: 258. Total energy = 25083.2164 kcal/mol (25074.1570 without restraints) Performing minimization step: 259. Total energy = 25042.7350 kcal/mol (25033.7032 without restraints) Performing minimization step: 260. Total energy = 25002.4832 kcal/mol (24993.4787 without restraints) Performing minimization step: 261. Total energy = 24962.4567 kcal/mol (24953.4788 without restraints) Performing minimization step: 262. Total energy = 24922.6517 kcal/mol (24913.7002 without restraints) Performing minimization step: 263. Total energy = 24883.0662 kcal/mol (24874.1407 without restraints) Performing minimization step: 264. Total energy = 24843.6960 kcal/mol (24834.7962 without restraints) Performing minimization step: 265. Total energy = 24804.5380 kcal/mol (24795.6633 without restraints) Performing minimization step: 266. Total energy = 24765.5893 kcal/mol (24756.7396 without restraints) Performing minimization step: 267. Total energy = 24726.8473 kcal/mol (24718.0224 without restraints) Performing minimization step: 268. Total energy = 24688.3091 kcal/mol (24679.5079 without restraints) Performing minimization step: 269. Total energy = 24649.9699 kcal/mol (24641.1926 without restraints) Performing minimization step: 270. Total energy = 24611.8287 kcal/mol (24603.0749 without restraints) Performing minimization step: 271. Total energy = 24573.8821 kcal/mol (24565.1515 without restraints) Performing minimization step: 272. Total energy = 24536.1278 kcal/mol (24527.4201 without restraints) Performing minimization step: 273. Total energy = 24498.5618 kcal/mol (24489.8767 without restraints) Performing minimization step: 274. Total energy = 24461.1832 kcal/mol (24452.5204 without restraints) Performing minimization step: 275. Total energy = 24423.9889 kcal/mol (24415.3479 without restraints) Performing minimization step: 276. Total energy = 24386.9759 kcal/mol (24378.3566 without restraints) Performing minimization step: 277. Total energy = 24350.1421 kcal/mol (24341.5442 without restraints) Performing minimization step: 278. Total energy = 24313.4854 kcal/mol (24304.9087 without restraints) Performing minimization step: 279. Total energy = 24277.0029 kcal/mol (24268.4469 without restraints) Performing minimization step: 280. Total energy = 24240.6929 kcal/mol (24232.1576 without restraints) Performing minimization step: 281. Total energy = 24204.5526 kcal/mol (24196.0374 without restraints) Performing minimization step: 282. Total energy = 24168.5797 kcal/mol (24160.0846 without restraints) Performing minimization step: 283. Total energy = 24132.7724 kcal/mol (24124.2971 without restraints) Performing minimization step: 284. Total energy = 24097.1284 kcal/mol (24088.6725 without restraints) Performing minimization step: 285. Total energy = 24061.6454 kcal/mol (24053.2089 without restraints) Performing minimization step: 286. Total energy = 24026.3217 kcal/mol (24017.9042 without restraints) Performing minimization step: 287. Total energy = 23991.1555 kcal/mol (23982.7569 without restraints) Performing minimization step: 288. Total energy = 23956.1443 kcal/mol (23947.7644 without restraints) Performing minimization step: 289. Total energy = 23921.2870 kcal/mol (23912.9254 without restraints) Performing minimization step: 290. Total energy = 23886.5811 kcal/mol (23878.2376 without restraints) Performing minimization step: 291. Total energy = 23852.0249 kcal/mol (23843.6995 without restraints) Performing minimization step: 292. Total energy = 23817.6164 kcal/mol (23809.3087 without restraints) Performing minimization step: 293. Total energy = 23783.3545 kcal/mol (23775.0644 without restraints) Performing minimization step: 294. Total energy = 23749.2375 kcal/mol (23740.9646 without restraints) Performing minimization step: 295. Total energy = 23715.2627 kcal/mol (23707.0070 without restraints) Performing minimization step: 296. Total energy = 23681.4290 kcal/mol (23673.1903 without restraints) Performing minimization step: 297. Total energy = 23647.7349 kcal/mol (23639.5129 without restraints) Performing minimization step: 298. Total energy = 23614.1786 kcal/mol (23605.9733 without restraints) Performing minimization step: 299. Total energy = 23580.7586 kcal/mol (23572.5697 without restraints) Performing minimization step: 300. Total energy = 23547.4737 kcal/mol (23539.3010 without restraints) Writing PDB file: /home/ubuntu/rna-tools/rna_tools/tools/webserver-engine/media/jobs/4d8172bd/tmp/CPMA1_refx/CPMA1_refx.pdb ...Done. Performing minimization step: 301. Total energy = 23514.3215 kcal/mol (23506.1646 without restraints) Performing minimization step: 302. Total energy = 23481.3012 kcal/mol (23473.1604 without restraints) Performing minimization step: 303. Total energy = 23448.4115 kcal/mol (23440.2864 without restraints) Performing minimization step: 304. Total energy = 23415.6504 kcal/mol (23407.5409 without restraints) Performing minimization step: 305. Total energy = 23383.0173 kcal/mol (23374.9233 without restraints) Performing minimization step: 306. Total energy = 23350.5107 kcal/mol (23342.4317 without restraints) Performing minimization step: 307. Total energy = 23318.1286 kcal/mol (23310.0649 without restraints) Performing minimization step: 308. Total energy = 23285.8699 kcal/mol (23277.8210 without restraints) Performing minimization step: 309. Total energy = 23253.7336 kcal/mol (23245.6994 without restraints) Performing minimization step: 310. Total energy = 23221.7182 kcal/mol (23213.6987 without restraints) Performing minimization step: 311. Total energy = 23189.8227 kcal/mol (23181.8177 without restraints) Performing minimization step: 312. Total energy = 23158.0462 kcal/mol (23150.0556 without restraints) Performing minimization step: 313. Total energy = 23126.3868 kcal/mol (23118.4102 without restraints) Performing minimization step: 314. Total energy = 23094.8431 kcal/mol (23086.8807 without restraints) Performing minimization step: 315. Total energy = 23063.4138 kcal/mol (23055.4653 without restraints) Performing minimization step: 316. Total energy = 23032.0995 kcal/mol (23024.1648 without restraints) Performing minimization step: 317. Total energy = 23000.8983 kcal/mol (22992.9773 without restraints) Performing minimization step: 318. Total energy = 22969.8085 kcal/mol (22961.9011 without restraints) Performing minimization step: 319. Total energy = 22938.8296 kcal/mol (22930.9356 without restraints) Performing minimization step: 320. Total energy = 22907.9600 kcal/mol (22900.0793 without restraints) Performing minimization step: 321. Total energy = 22877.1991 kcal/mol (22869.3315 without restraints) Performing minimization step: 322. Total energy = 22846.5455 kcal/mol (22838.6911 without restraints) Performing minimization step: 323. Total energy = 22815.9989 kcal/mol (22808.1574 without restraints) Performing minimization step: 324. Total energy = 22785.5579 kcal/mol (22777.7292 without restraints) Performing minimization step: 325. Total energy = 22755.2221 kcal/mol (22747.4063 without restraints) Performing minimization step: 326. Total energy = 22724.9894 kcal/mol (22717.1861 without restraints) Performing minimization step: 327. Total energy = 22694.8600 kcal/mol (22687.0693 without restraints) Performing minimization step: 328. Total energy = 22664.8319 kcal/mol (22657.0536 without restraints) Performing minimization step: 329. Total energy = 22634.9053 kcal/mol (22627.1393 without restraints) Performing minimization step: 330. Total energy = 22605.0790 kcal/mol (22597.3252 without restraints) Performing minimization step: 331. Total energy = 22575.3516 kcal/mol (22567.6099 without restraints) Performing minimization step: 332. Total energy = 22545.7227 kcal/mol (22537.9930 without restraints) Performing minimization step: 333. Total energy = 22516.1915 kcal/mol (22508.4737 without restraints) Performing minimization step: 334. Total energy = 22486.7570 kcal/mol (22479.0511 without restraints) Performing minimization step: 335. Total energy = 22457.4185 kcal/mol (22449.7243 without restraints) Performing minimization step: 336. Total energy = 22428.1753 kcal/mol (22420.4928 without restraints) Performing minimization step: 337. Total energy = 22399.0266 kcal/mol (22391.3556 without restraints) Performing minimization step: 338. Total energy = 22369.9718 kcal/mol (22362.3122 without restraints) Performing minimization step: 339. Total energy = 22341.0099 kcal/mol (22333.3617 without restraints) Performing minimization step: 340. Total energy = 22312.1398 kcal/mol (22304.5029 without restraints) Performing minimization step: 341. Total energy = 22283.3613 kcal/mol (22275.7356 without restraints) Performing minimization step: 342. Total energy = 22254.6733 kcal/mol (22247.0588 without restraints) Performing minimization step: 343. Total energy = 22226.0761 kcal/mol (22218.4728 without restraints) Performing minimization step: 344. Total energy = 22197.5683 kcal/mol (22189.9758 without restraints) Performing minimization step: 345. Total energy = 22169.1492 kcal/mol (22161.5675 without restraints) Performing minimization step: 346. Total energy = 22140.8178 kcal/mol (22133.2471 without restraints) Performing minimization step: 347. Total energy = 22112.5738 kcal/mol (22105.0138 without restraints) Performing minimization step: 348. Total energy = 22084.4163 kcal/mol (22076.8669 without restraints) Performing minimization step: 349. Total energy = 22056.3450 kcal/mol (22048.8061 without restraints) Performing minimization step: 350. Total energy = 22028.3602 kcal/mol (22020.8319 without restraints) Performing minimization step: 351. Total energy = 22000.4592 kcal/mol (21992.9412 without restraints) Performing minimization step: 352. Total energy = 21972.6424 kcal/mol (21965.1349 without restraints) Performing minimization step: 353. Total energy = 21944.9090 kcal/mol (21937.4119 without restraints) Performing minimization step: 354. Total energy = 21917.2584 kcal/mol (21909.7711 without restraints) Performing minimization step: 355. Total energy = 21889.6909 kcal/mol (21882.2141 without restraints) Performing minimization step: 356. Total energy = 21862.2056 kcal/mol (21854.7390 without restraints) Performing minimization step: 357. Total energy = 21834.8009 kcal/mol (21827.3443 without restraints) Performing minimization step: 358. Total energy = 21807.4766 kcal/mol (21800.0298 without restraints) Performing minimization step: 359. Total energy = 21780.2331 kcal/mol (21772.7964 without restraints) Performing minimization step: 360. Total energy = 21753.0699 kcal/mol (21745.6430 without restraints) Performing minimization step: 361. Total energy = 21725.9858 kcal/mol (21718.5687 without restraints) Performing minimization step: 362. Total energy = 21698.9806 kcal/mol (21691.5734 without restraints) Performing minimization step: 363. Total energy = 21672.0543 kcal/mol (21664.6567 without restraints) Performing minimization step: 364. Total energy = 21645.2053 kcal/mol (21637.8173 without restraints) Performing minimization step: 365. Total energy = 21618.4332 kcal/mol (21611.0548 without restraints) Performing minimization step: 366. Total energy = 21591.7377 kcal/mol (21584.3687 without restraints) Performing minimization step: 367. Total energy = 21565.1179 kcal/mol (21557.7582 without restraints) Performing minimization step: 368. Total energy = 21538.5741 kcal/mol (21531.2240 without restraints) Performing minimization step: 369. Total energy = 21512.1054 kcal/mol (21504.7647 without restraints) Performing minimization step: 370. Total energy = 21485.7121 kcal/mol (21478.3806 without restraints) Performing minimization step: 371. Total energy = 21459.3925 kcal/mol (21452.0704 without restraints) Performing minimization step: 372. Total energy = 21433.1474 kcal/mol (21425.8344 without restraints) Performing minimization step: 373. Total energy = 21406.9754 kcal/mol (21399.6713 without restraints) Performing minimization step: 374. Total energy = 21380.8764 kcal/mol (21373.5816 without restraints) Performing minimization step: 375. Total energy = 21354.8499 kcal/mol (21347.5641 without restraints) Performing minimization step: 376. Total energy = 21328.8957 kcal/mol (21321.6189 without restraints) Performing minimization step: 377. Total energy = 21303.0131 kcal/mol (21295.7451 without restraints) Performing minimization step: 378. Total energy = 21277.2019 kcal/mol (21269.9430 without restraints) Performing minimization step: 379. Total energy = 21251.4619 kcal/mol (21244.2118 without restraints) Performing minimization step: 380. Total energy = 21225.7924 kcal/mol (21218.5511 without restraints) Performing minimization step: 381. Total energy = 21200.1930 kcal/mol (21192.9604 without restraints) Performing minimization step: 382. Total energy = 21174.6631 kcal/mol (21167.4391 without restraints) Performing minimization step: 383. Total energy = 21149.2028 kcal/mol (21141.9875 without restraints) Performing minimization step: 384. Total energy = 21123.8113 kcal/mol (21116.6046 without restraints) Performing minimization step: 385. Total energy = 21098.4885 kcal/mol (21091.2905 without restraints) Performing minimization step: 386. Total energy = 21073.2342 kcal/mol (21066.0448 without restraints) Performing minimization step: 387. Total energy = 21048.0479 kcal/mol (21040.8669 without restraints) Performing minimization step: 388. Total energy = 21022.9289 kcal/mol (21015.7563 without restraints) Performing minimization step: 389. Total energy = 20997.8770 kcal/mol (20990.7128 without restraints) Performing minimization step: 390. Total energy = 20972.8919 kcal/mol (20965.7361 without restraints) Performing minimization step: 391. Total energy = 20947.9732 kcal/mol (20940.8257 without restraints) Performing minimization step: 392. Total energy = 20923.1203 kcal/mol (20915.9810 without restraints) Performing minimization step: 393. Total energy = 20898.3332 kcal/mol (20891.2023 without restraints) Performing minimization step: 394. Total energy = 20873.6120 kcal/mol (20866.4894 without restraints) Performing minimization step: 395. Total energy = 20848.9560 kcal/mol (20841.8414 without restraints) Performing minimization step: 396. Total energy = 20824.3648 kcal/mol (20817.2584 without restraints) Performing minimization step: 397. Total energy = 20799.8377 kcal/mol (20792.7394 without restraints) Performing minimization step: 398. Total energy = 20775.3752 kcal/mol (20768.2849 without restraints) Performing minimization step: 399. Total energy = 20750.9756 kcal/mol (20743.8933 without restraints) Performing minimization step: 400. Total energy = 20726.6400 kcal/mol (20719.5657 without restraints) Writing PDB file: /home/ubuntu/rna-tools/rna_tools/tools/webserver-engine/media/jobs/4d8172bd/tmp/CPMA1_refx/CPMA1_refx.pdb ...Done. Performing minimization step: 401. Total energy = 20702.3675 kcal/mol (20695.3012 without restraints) Performing minimization step: 402. Total energy = 20678.1582 kcal/mol (20671.0999 without restraints) Performing minimization step: 403. Total energy = 20654.0111 kcal/mol (20646.9607 without restraints) Performing minimization step: 404. Total energy = 20629.9265 kcal/mol (20622.8839 without restraints) Performing minimization step: 405. Total energy = 20605.9035 kcal/mol (20598.8688 without restraints) Performing minimization step: 406. Total energy = 20581.9426 kcal/mol (20574.9156 without restraints) Performing minimization step: 407. Total energy = 20558.0429 kcal/mol (20551.0238 without restraints) Performing minimization step: 408. Total energy = 20534.2051 kcal/mol (20527.1936 without restraints) Performing minimization step: 409. Total energy = 20510.4276 kcal/mol (20503.4238 without restraints) Performing minimization step: 410. Total energy = 20486.7112 kcal/mol (20479.7150 without restraints) Performing minimization step: 411. Total energy = 20463.0546 kcal/mol (20456.0661 without restraints) Performing minimization step: 412. Total energy = 20439.4575 kcal/mol (20432.4765 without restraints) Performing minimization step: 413. Total energy = 20415.9210 kcal/mol (20408.9478 without restraints) Performing minimization step: 414. Total energy = 20392.4439 kcal/mol (20385.4781 without restraints) Performing minimization step: 415. Total energy = 20369.0260 kcal/mol (20362.0677 without restraints) Performing minimization step: 416. Total energy = 20345.6673 kcal/mol (20338.7164 without restraints) Performing minimization step: 417. Total energy = 20322.3675 kcal/mol (20315.4241 without restraints) Performing minimization step: 418. Total energy = 20299.1255 kcal/mol (20292.1896 without restraints) Performing minimization step: 419. Total energy = 20275.9418 kcal/mol (20269.0131 without restraints) Performing minimization step: 420. Total energy = 20252.8160 kcal/mol (20245.8946 without restraints) Performing minimization step: 421. Total energy = 20229.7479 kcal/mol (20222.8340 without restraints) Performing minimization step: 422. Total energy = 20206.7378 kcal/mol (20199.8312 without restraints) Performing minimization step: 423. Total energy = 20183.7848 kcal/mol (20176.8853 without restraints) Performing minimization step: 424. Total energy = 20160.8885 kcal/mol (20153.9964 without restraints) Performing minimization step: 425. Total energy = 20138.0491 kcal/mol (20131.1643 without restraints) Performing minimization step: 426. Total energy = 20115.2664 kcal/mol (20108.3888 without restraints) Performing minimization step: 427. Total energy = 20092.5397 kcal/mol (20085.6692 without restraints) Performing minimization step: 428. Total energy = 20069.8697 kcal/mol (20063.0064 without restraints) Performing minimization step: 429. Total energy = 20047.2549 kcal/mol (20040.3988 without restraints) Performing minimization step: 430. Total energy = 20024.6960 kcal/mol (20017.8469 without restraints) Performing minimization step: 431. Total energy = 20002.1928 kcal/mol (19995.3507 without restraints) Performing minimization step: 432. Total energy = 19979.7444 kcal/mol (19972.9095 without restraints) Performing minimization step: 433. Total energy = 19957.3512 kcal/mol (19950.5233 without restraints) Performing minimization step: 434. Total energy = 19935.0126 kcal/mol (19928.1916 without restraints) Performing minimization step: 435. Total energy = 19912.7286 kcal/mol (19905.9146 without restraints) Performing minimization step: 436. Total energy = 19890.4988 kcal/mol (19883.6917 without restraints) Performing minimization step: 437. Total energy = 19868.3234 kcal/mol (19861.5233 without restraints) Performing minimization step: 438. Total energy = 19846.2014 kcal/mol (19839.4082 without restraints) Performing minimization step: 439. Total energy = 19824.1334 kcal/mol (19817.3470 without restraints) Performing minimization step: 440. Total energy = 19802.1185 kcal/mol (19795.3387 without restraints) Performing minimization step: 441. Total energy = 19780.1571 kcal/mol (19773.3845 without restraints) Performing minimization step: 442. Total energy = 19758.2485 kcal/mol (19751.4826 without restraints) Performing minimization step: 443. Total energy = 19736.3932 kcal/mol (19729.6342 without restraints) Performing minimization step: 444. Total energy = 19714.5911 kcal/mol (19707.8388 without restraints) Performing minimization step: 445. Total energy = 19692.8411 kcal/mol (19686.0956 without restraints) Performing minimization step: 446. Total energy = 19671.1431 kcal/mol (19664.4043 without restraints) Performing minimization step: 447. Total energy = 19649.4974 kcal/mol (19642.7653 without restraints) Performing minimization step: 448. Total energy = 19627.9034 kcal/mol (19621.1779 without restraints) Performing minimization step: 449. Total energy = 19606.3619 kcal/mol (19599.6431 without restraints) Performing minimization step: 450. Total energy = 19584.8711 kcal/mol (19578.1589 without restraints) Performing minimization step: 451. Total energy = 19563.4316 kcal/mol (19556.7260 without restraints) Performing minimization step: 452. Total energy = 19542.0428 kcal/mol (19535.3438 without restraints) Performing minimization step: 453. Total energy = 19520.7057 kcal/mol (19514.0133 without restraints) Performing minimization step: 454. Total energy = 19499.4192 kcal/mol (19492.7332 without restraints) Performing minimization step: 455. Total energy = 19478.1834 kcal/mol (19471.5042 without restraints) Performing minimization step: 456. Total energy = 19456.9986 kcal/mol (19450.3257 without restraints) Performing minimization step: 457. Total energy = 19435.8635 kcal/mol (19429.1971 without restraints) Performing minimization step: 458. Total energy = 19414.7785 kcal/mol (19408.1187 without restraints) Performing minimization step: 459. Total energy = 19393.7439 kcal/mol (19387.0904 without restraints) Performing minimization step: 460. Total energy = 19372.7587 kcal/mol (19366.1117 without restraints) Performing minimization step: 461. Total energy = 19351.8232 kcal/mol (19345.1827 without restraints) Performing minimization step: 462. Total energy = 19330.9368 kcal/mol (19324.3026 without restraints) Performing minimization step: 463. Total energy = 19310.0997 kcal/mol (19303.4719 without restraints) Performing minimization step: 464. Total energy = 19289.3120 kcal/mol (19282.6905 without restraints) Performing minimization step: 465. Total energy = 19268.5735 kcal/mol (19261.9583 without restraints) Performing minimization step: 466. Total energy = 19247.8839 kcal/mol (19241.2752 without restraints) Performing minimization step: 467. Total energy = 19227.2422 kcal/mol (19220.6397 without restraints) Performing minimization step: 468. Total energy = 19206.6488 kcal/mol (19200.0526 without restraints) Performing minimization step: 469. Total energy = 19186.1036 kcal/mol (19179.5136 without restraints) Performing minimization step: 470. Total energy = 19165.6067 kcal/mol (19159.0230 without restraints) Performing minimization step: 471. Total energy = 19145.1576 kcal/mol (19138.5800 without restraints) Performing minimization step: 472. Total energy = 19124.7559 kcal/mol (19118.1846 without restraints) Performing minimization step: 473. Total energy = 19104.4018 kcal/mol (19097.8367 without restraints) Performing minimization step: 474. Total energy = 19084.0953 kcal/mol (19077.5364 without restraints) Performing minimization step: 475. Total energy = 19063.8364 kcal/mol (19057.2837 without restraints) Performing minimization step: 476. Total energy = 19043.6244 kcal/mol (19037.0777 without restraints) Performing minimization step: 477. Total energy = 19023.4592 kcal/mol (19016.9188 without restraints) Performing minimization step: 478. Total energy = 19003.3411 kcal/mol (18996.8067 without restraints) Performing minimization step: 479. Total energy = 18983.2692 kcal/mol (18976.7408 without restraints) Performing minimization step: 480. Total energy = 18963.2444 kcal/mol (18956.7221 without restraints) Performing minimization step: 481. Total energy = 18943.2654 kcal/mol (18936.7493 without restraints) Performing minimization step: 482. Total energy = 18923.3330 kcal/mol (18916.8229 without restraints) Performing minimization step: 483. Total energy = 18903.4462 kcal/mol (18896.9418 without restraints) Performing minimization step: 484. Total energy = 18883.6056 kcal/mol (18877.1074 without restraints) Performing minimization step: 485. Total energy = 18863.8110 kcal/mol (18857.3189 without restraints) Performing minimization step: 486. Total energy = 18844.0621 kcal/mol (18837.5761 without restraints) Performing minimization step: 487. Total energy = 18824.3583 kcal/mol (18817.8782 without restraints) Performing minimization step: 488. Total energy = 18804.7003 kcal/mol (18798.2261 without restraints) Performing minimization step: 489. Total energy = 18785.0874 kcal/mol (18778.6190 without restraints) Performing minimization step: 490. Total energy = 18765.5193 kcal/mol (18759.0569 without restraints) Performing minimization step: 491. Total energy = 18745.9966 kcal/mol (18739.5402 without restraints) Performing minimization step: 492. Total energy = 18726.5188 kcal/mol (18720.0681 without restraints) Performing minimization step: 493. Total energy = 18707.0856 kcal/mol (18700.6408 without restraints) Performing minimization step: 494. Total energy = 18687.6970 kcal/mol (18681.2581 without restraints) Performing minimization step: 495. Total energy = 18668.3528 kcal/mol (18661.9197 without restraints) Performing minimization step: 496. Total energy = 18649.0525 kcal/mol (18642.6252 without restraints) Performing minimization step: 497. Total energy = 18629.7961 kcal/mol (18623.3748 without restraints) Performing minimization step: 498. Total energy = 18610.5842 kcal/mol (18604.1685 without restraints) Performing minimization step: 499. Total energy = 18591.4163 kcal/mol (18585.0063 without restraints) Performing minimization step: 500. Total energy = 18572.2919 kcal/mol (18565.8877 without restraints) Writing PDB file: /home/ubuntu/rna-tools/rna_tools/tools/webserver-engine/media/jobs/4d8172bd/tmp/CPMA1_refx/CPMA1_refx.pdb ...Done. Performing minimization step: 501. Total energy = 18553.2110 kcal/mol (18546.8125 without restraints) Performing minimization step: 502. Total energy = 18534.1730 kcal/mol (18527.7803 without restraints) Performing minimization step: 503. Total energy = 18515.1786 kcal/mol (18508.7915 without restraints) Performing minimization step: 504. Total energy = 18496.2275 kcal/mol (18489.8462 without restraints) Performing minimization step: 505. Total energy = 18477.3192 kcal/mol (18470.9436 without restraints) Performing minimization step: 506. Total energy = 18458.4541 kcal/mol (18452.0843 without restraints) Performing minimization step: 507. Total energy = 18439.6319 kcal/mol (18433.2675 without restraints) Performing minimization step: 508. Total energy = 18420.8519 kcal/mol (18414.4934 without restraints) Performing minimization step: 509. Total energy = 18402.1158 kcal/mol (18395.7627 without restraints) Performing minimization step: 510. Total energy = 18383.4210 kcal/mol (18377.0736 without restraints) Performing minimization step: 511. Total energy = 18364.7686 kcal/mol (18358.4267 without restraints) Performing minimization step: 512. Total energy = 18346.1581 kcal/mol (18339.8218 without restraints) Performing minimization step: 513. Total energy = 18327.5898 kcal/mol (18321.2591 without restraints) Performing minimization step: 514. Total energy = 18309.0635 kcal/mol (18302.7384 without restraints) Performing minimization step: 515. Total energy = 18290.5790 kcal/mol (18284.2595 without restraints) Performing minimization step: 516. Total energy = 18272.1360 kcal/mol (18265.8220 without restraints) Performing minimization step: 517. Total energy = 18253.7345 kcal/mol (18247.4260 without restraints) Performing minimization step: 518. Total energy = 18235.3750 kcal/mol (18229.0720 without restraints) Performing minimization step: 519. Total energy = 18217.0563 kcal/mol (18210.7588 without restraints) Performing minimization step: 520. Total energy = 18198.7783 kcal/mol (18192.4862 without restraints) Performing minimization step: 521. Total energy = 18180.5421 kcal/mol (18174.2555 without restraints) Performing minimization step: 522. Total energy = 18162.3465 kcal/mol (18156.0653 without restraints) Performing minimization step: 523. Total energy = 18144.1921 kcal/mol (18137.9164 without restraints) Performing minimization step: 524. Total energy = 18126.0784 kcal/mol (18119.8085 without restraints) Performing minimization step: 525. Total energy = 18108.0052 kcal/mol (18101.7403 without restraints) Performing minimization step: 526. Total energy = 18089.9720 kcal/mol (18083.7125 without restraints) Performing minimization step: 527. Total energy = 18071.9794 kcal/mol (18065.7252 without restraints) Performing minimization step: 528. Total energy = 18054.0271 kcal/mol (18047.7784 without restraints) Performing minimization step: 529. Total energy = 18036.1145 kcal/mol (18029.8711 without restraints) Performing minimization step: 530. Total energy = 18018.2422 kcal/mol (18012.0042 without restraints) Performing minimization step: 531. Total energy = 18000.4102 kcal/mol (17994.1775 without restraints) Performing minimization step: 532. Total energy = 17982.6175 kcal/mol (17976.3904 without restraints) Performing minimization step: 533. Total energy = 17964.8645 kcal/mol (17958.6423 without restraints) Performing minimization step: 534. Total energy = 17947.1510 kcal/mol (17940.9342 without restraints) Performing minimization step: 535. Total energy = 17929.4772 kcal/mol (17923.2659 without restraints) Performing minimization step: 536. Total energy = 17911.8425 kcal/mol (17905.6363 without restraints) Performing minimization step: 537. Total energy = 17894.2472 kcal/mol (17888.0463 without restraints) Performing minimization step: 538. Total energy = 17876.6906 kcal/mol (17870.4950 without restraints) Performing minimization step: 539. Total energy = 17859.1733 kcal/mol (17852.9828 without restraints) Performing minimization step: 540. Total energy = 17841.6948 kcal/mol (17835.5097 without restraints) Performing minimization step: 541. Total energy = 17824.2551 kcal/mol (17818.0750 without restraints) Performing minimization step: 542. Total energy = 17806.8538 kcal/mol (17800.6790 without restraints) Performing minimization step: 543. Total energy = 17789.4911 kcal/mol (17783.3215 without restraints) Performing minimization step: 544. Total energy = 17772.1672 kcal/mol (17766.0030 without restraints) Performing minimization step: 545. Total energy = 17754.8818 kcal/mol (17748.7228 without restraints) Performing minimization step: 546. Total energy = 17737.6349 kcal/mol (17731.4808 without restraints) Performing minimization step: 547. Total energy = 17720.4251 kcal/mol (17714.2763 without restraints) Performing minimization step: 548. Total energy = 17703.2541 kcal/mol (17697.1104 without restraints) Performing minimization step: 549. Total energy = 17686.1203 kcal/mol (17679.9815 without restraints) Performing minimization step: 550. Total energy = 17669.0243 kcal/mol (17662.8906 without restraints) Performing minimization step: 551. Total energy = 17651.9660 kcal/mol (17645.8375 without restraints) Performing minimization step: 552. Total energy = 17634.9454 kcal/mol (17628.8219 without restraints) Performing minimization step: 553. Total energy = 17617.9622 kcal/mol (17611.8439 without restraints) Performing minimization step: 554. Total energy = 17601.0166 kcal/mol (17594.9033 without restraints) Performing minimization step: 555. Total energy = 17584.1075 kcal/mol (17577.9991 without restraints) Performing minimization step: 556. Total energy = 17567.2358 kcal/mol (17561.1326 without restraints) Performing minimization step: 557. Total energy = 17550.4012 kcal/mol (17544.3030 without restraints) Performing minimization step: 558. Total energy = 17533.6034 kcal/mol (17527.5101 without restraints) Performing minimization step: 559. Total energy = 17516.8426 kcal/mol (17510.7544 without restraints) Performing minimization step: 560. Total energy = 17500.1189 kcal/mol (17494.0357 without restraints) Performing minimization step: 561. Total energy = 17483.4316 kcal/mol (17477.3533 without restraints) Performing minimization step: 562. Total energy = 17466.7806 kcal/mol (17460.7073 without restraints) Performing minimization step: 563. Total energy = 17450.1661 kcal/mol (17444.0977 without restraints) Performing minimization step: 564. Total energy = 17433.5880 kcal/mol (17427.5247 without restraints) Performing minimization step: 565. Total energy = 17417.0463 kcal/mol (17410.9879 without restraints) Performing minimization step: 566. Total energy = 17400.5405 kcal/mol (17394.4869 without restraints) Performing minimization step: 567. Total energy = 17384.0710 kcal/mol (17378.0224 without restraints) Performing minimization step: 568. Total energy = 17367.6375 kcal/mol (17361.5939 without restraints) Performing minimization step: 569. Total energy = 17351.2401 kcal/mol (17345.2013 without restraints) Performing minimization step: 570. Total energy = 17334.8779 kcal/mol (17328.8440 without restraints) Performing minimization step: 571. Total energy = 17318.5523 kcal/mol (17312.5233 without restraints) Performing minimization step: 572. Total energy = 17302.2616 kcal/mol (17296.2374 without restraints) Performing minimization step: 573. Total energy = 17286.0057 kcal/mol (17279.9863 without restraints) Performing minimization step: 574. Total energy = 17269.7853 kcal/mol (17263.7708 without restraints) Performing minimization step: 575. Total energy = 17253.6003 kcal/mol (17247.5907 without restraints) Performing minimization step: 576. Total energy = 17237.4499 kcal/mol (17231.4450 without restraints) Performing minimization step: 577. Total energy = 17221.3350 kcal/mol (17215.3349 without restraints) Performing minimization step: 578. Total energy = 17205.2547 kcal/mol (17199.2594 without restraints) Performing minimization step: 579. Total energy = 17189.2096 kcal/mol (17183.2190 without restraints) Performing minimization step: 580. Total energy = 17173.1989 kcal/mol (17167.2131 without restraints) Performing minimization step: 581. Total energy = 17157.2228 kcal/mol (17151.2418 without restraints) Performing minimization step: 582. Total energy = 17141.2814 kcal/mol (17135.3051 without restraints) Performing minimization step: 583. Total energy = 17125.3744 kcal/mol (17119.4030 without restraints) Performing minimization step: 584. Total energy = 17109.5014 kcal/mol (17103.5347 without restraints) Performing minimization step: 585. Total energy = 17093.6631 kcal/mol (17087.7010 without restraints) Performing minimization step: 586. Total energy = 17077.8586 kcal/mol (17071.9012 without restraints) Performing minimization step: 587. Total energy = 17062.0883 kcal/mol (17056.1357 without restraints) Performing minimization step: 588. Total energy = 17046.3524 kcal/mol (17040.4044 without restraints) Performing minimization step: 589. Total energy = 17030.6500 kcal/mol (17024.7067 without restraints) Performing minimization step: 590. Total energy = 17014.9819 kcal/mol (17009.0433 without restraints) Performing minimization step: 591. Total energy = 16999.3473 kcal/mol (16993.4134 without restraints) Performing minimization step: 592. Total energy = 16983.7459 kcal/mol (16977.8166 without restraints) Performing minimization step: 593. Total energy = 16968.1779 kcal/mol (16962.2533 without restraints) Performing minimization step: 594. Total energy = 16952.6433 kcal/mol (16946.7234 without restraints) Performing minimization step: 595. Total energy = 16937.1423 kcal/mol (16931.2269 without restraints) Performing minimization step: 596. Total energy = 16921.6743 kcal/mol (16915.7635 without restraints) Performing minimization step: 597. Total energy = 16906.2399 kcal/mol (16900.3337 without restraints) Performing minimization step: 598. Total energy = 16890.8380 kcal/mol (16884.9364 without restraints) Performing minimization step: 599. Total energy = 16875.4689 kcal/mol (16869.5717 without restraints) Performing minimization step: 600. Total energy = 16860.1328 kcal/mol (16854.2404 without restraints) Writing PDB file: /home/ubuntu/rna-tools/rna_tools/tools/webserver-engine/media/jobs/4d8172bd/tmp/CPMA1_refx/CPMA1_refx.pdb ...Done. Performing minimization step: 601. Total energy = 16844.8296 kcal/mol (16838.9416 without restraints) Performing minimization step: 602. Total energy = 16829.5586 kcal/mol (16823.6752 without restraints) Performing minimization step: 603. Total energy = 16814.3201 kcal/mol (16808.4412 without restraints) Performing minimization step: 604. Total energy = 16799.1141 kcal/mol (16793.2397 without restraints) Performing minimization step: 605. Total energy = 16783.9402 kcal/mol (16778.0704 without restraints) Performing minimization step: 606. Total energy = 16768.7995 kcal/mol (16762.9343 without restraints) Performing minimization step: 607. Total energy = 16753.6908 kcal/mol (16747.8300 without restraints) Performing minimization step: 608. Total energy = 16738.6142 kcal/mol (16732.7577 without restraints) Performing minimization step: 609. Total energy = 16723.5694 kcal/mol (16717.7176 without restraints) Performing minimization step: 610. Total energy = 16708.5565 kcal/mol (16702.7092 without restraints) Performing minimization step: 611. Total energy = 16693.5758 kcal/mol (16687.7329 without restraints) Performing minimization step: 612. Total energy = 16678.6262 kcal/mol (16672.7879 without restraints) Performing minimization step: 613. Total energy = 16663.7085 kcal/mol (16657.8745 without restraints) Performing minimization step: 614. Total energy = 16648.8227 kcal/mol (16642.9932 without restraints) Performing minimization step: 615. Total energy = 16633.9682 kcal/mol (16628.1430 without restraints) Performing minimization step: 616. Total energy = 16619.1451 kcal/mol (16613.3244 without restraints) Performing minimization step: 617. Total energy = 16604.3536 kcal/mol (16598.5373 without restraints) Performing minimization step: 618. Total energy = 16589.5928 kcal/mol (16583.7809 without restraints) Performing minimization step: 619. Total energy = 16574.8632 kcal/mol (16569.0557 without restraints) Performing minimization step: 620. Total energy = 16560.1647 kcal/mol (16554.3616 without restraints) Performing minimization step: 621. Total energy = 16545.4974 kcal/mol (16539.6987 without restraints) Performing minimization step: 622. Total energy = 16530.8609 kcal/mol (16525.0665 without restraints) Performing minimization step: 623. Total energy = 16516.2555 kcal/mol (16510.4655 without restraints) Performing minimization step: 624. Total energy = 16501.6805 kcal/mol (16495.8947 without restraints) Performing minimization step: 625. Total energy = 16487.1357 kcal/mol (16481.3543 without restraints) Performing minimization step: 626. Total energy = 16472.6218 kcal/mol (16466.8446 without restraints) Performing minimization step: 627. Total energy = 16458.1382 kcal/mol (16452.3655 without restraints) Performing minimization step: 628. Total energy = 16443.6859 kcal/mol (16437.9174 without restraints) Performing minimization step: 629. Total energy = 16429.2626 kcal/mol (16423.4982 without restraints) Performing minimization step: 630. Total energy = 16414.8705 kcal/mol (16409.1104 without restraints) Performing minimization step: 631. Total energy = 16400.5081 kcal/mol (16394.7525 without restraints) Performing minimization step: 632. Total energy = 16386.1757 kcal/mol (16380.4244 without restraints) Performing minimization step: 633. Total energy = 16371.8731 kcal/mol (16366.1260 without restraints) Performing minimization step: 634. Total energy = 16357.6002 kcal/mol (16351.8573 without restraints) Performing minimization step: 635. Total energy = 16343.3573 kcal/mol (16337.6187 without restraints) Performing minimization step: 636. Total energy = 16329.1438 kcal/mol (16323.4093 without restraints) Performing minimization step: 637. Total energy = 16314.9601 kcal/mol (16309.2298 without restraints) Performing minimization step: 638. Total energy = 16300.8059 kcal/mol (16295.0800 without restraints) Performing minimization step: 639. Total energy = 16286.6809 kcal/mol (16280.9590 without restraints) Performing minimization step: 640. Total energy = 16272.5849 kcal/mol (16266.8672 without restraints) Performing minimization step: 641. Total energy = 16258.5185 kcal/mol (16252.8051 without restraints) Performing minimization step: 642. Total energy = 16244.4817 kcal/mol (16238.7725 without restraints) Performing minimization step: 643. Total energy = 16230.4737 kcal/mol (16224.7686 without restraints) Performing minimization step: 644. Total energy = 16216.4946 kcal/mol (16210.7936 without restraints) Performing minimization step: 645. Total energy = 16202.5446 kcal/mol (16196.8479 without restraints) Performing minimization step: 646. Total energy = 16188.6233 kcal/mol (16182.9307 without restraints) Performing minimization step: 647. Total energy = 16174.7301 kcal/mol (16169.0416 without restraints) Performing minimization step: 648. Total energy = 16160.8659 kcal/mol (16155.1816 without restraints) Performing minimization step: 649. Total energy = 16147.0303 kcal/mol (16141.3500 without restraints) Performing minimization step: 650. Total energy = 16133.2232 kcal/mol (16127.5471 without restraints) Performing minimization step: 651. Total energy = 16119.4444 kcal/mol (16113.7723 without restraints) Performing minimization step: 652. Total energy = 16105.6943 kcal/mol (16100.0264 without restraints) Performing minimization step: 653. Total energy = 16091.9726 kcal/mol (16086.3087 without restraints) Performing minimization step: 654. Total energy = 16078.2789 kcal/mol (16072.6193 without restraints) Performing minimization step: 655. Total energy = 16064.6140 kcal/mol (16058.9583 without restraints) Performing minimization step: 656. Total energy = 16050.9762 kcal/mol (16045.3245 without restraints) Performing minimization step: 657. Total energy = 16037.3666 kcal/mol (16031.7190 without restraints) Performing minimization step: 658. Total energy = 16023.7849 kcal/mol (16018.1413 without restraints) Performing minimization step: 659. Total energy = 16010.2311 kcal/mol (16004.5915 without restraints) Performing minimization step: 660. Total energy = 15996.7045 kcal/mol (15991.0686 without restraints) Performing minimization step: 661. Total energy = 15983.2057 kcal/mol (15977.5741 without restraints) Performing minimization step: 662. Total energy = 15969.7346 kcal/mol (15964.1070 without restraints) Performing minimization step: 663. Total energy = 15956.2908 kcal/mol (15950.6673 without restraints) Performing minimization step: 664. Total energy = 15942.8746 kcal/mol (15937.2551 without restraints) Performing minimization step: 665. Total energy = 15929.4858 kcal/mol (15923.8702 without restraints) Performing minimization step: 666. Total energy = 15916.1245 kcal/mol (15910.5132 without restraints) Performing minimization step: 667. Total energy = 15902.7904 kcal/mol (15897.1827 without restraints) Performing minimization step: 668. Total energy = 15889.4827 kcal/mol (15883.8790 without restraints) Performing minimization step: 669. Total energy = 15876.2021 kcal/mol (15870.6024 without restraints) Performing minimization step: 670. Total energy = 15862.9486 kcal/mol (15857.3528 without restraints) Performing minimization step: 671. Total energy = 15849.7216 kcal/mol (15844.1297 without restraints) Performing minimization step: 672. Total energy = 15836.5217 kcal/mol (15830.9338 without restraints) Performing minimization step: 673. Total energy = 15823.3485 kcal/mol (15817.7644 without restraints) Performing minimization step: 674. Total energy = 15810.2017 kcal/mol (15804.6216 without restraints) Performing minimization step: 675. Total energy = 15797.0815 kcal/mol (15791.5051 without restraints) Performing minimization step: 676. Total energy = 15783.9877 kcal/mol (15778.4153 without restraints) Performing minimization step: 677. Total energy = 15770.9200 kcal/mol (15765.3516 without restraints) Performing minimization step: 678. Total energy = 15757.8793 kcal/mol (15752.3148 without restraints) Performing minimization step: 679. Total energy = 15744.8646 kcal/mol (15739.3038 without restraints) Performing minimization step: 680. Total energy = 15731.8757 kcal/mol (15726.3188 without restraints) Performing minimization step: 681. Total energy = 15718.9132 kcal/mol (15713.3600 without restraints) Performing minimization step: 682. Total energy = 15705.9762 kcal/mol (15700.4270 without restraints) Performing minimization step: 683. Total energy = 15693.0657 kcal/mol (15687.5202 without restraints) Performing minimization step: 684. Total energy = 15680.1813 kcal/mol (15674.6397 without restraints) Performing minimization step: 685. Total energy = 15667.3222 kcal/mol (15661.7845 without restraints) Performing minimization step: 686. Total energy = 15654.4889 kcal/mol (15648.9549 without restraints) Performing minimization step: 687. Total energy = 15641.6809 kcal/mol (15636.1507 without restraints) Performing minimization step: 688. Total energy = 15628.8986 kcal/mol (15623.3722 without restraints) Performing minimization step: 689. Total energy = 15616.1422 kcal/mol (15610.6196 without restraints) Performing minimization step: 690. Total energy = 15603.4110 kcal/mol (15597.8922 without restraints) Performing minimization step: 691. Total energy = 15590.7051 kcal/mol (15585.1900 without restraints) Performing minimization step: 692. Total energy = 15578.0240 kcal/mol (15572.5127 without restraints) Performing minimization step: 693. Total energy = 15565.3691 kcal/mol (15559.8615 without restraints) Performing minimization step: 694. Total energy = 15552.7386 kcal/mol (15547.2347 without restraints) Performing minimization step: 695. Total energy = 15540.1331 kcal/mol (15534.6331 without restraints) Performing minimization step: 696. Total energy = 15527.5524 kcal/mol (15522.0561 without restraints) Performing minimization step: 697. Total energy = 15514.9965 kcal/mol (15509.5039 without restraints) Performing minimization step: 698. Total energy = 15502.4656 kcal/mol (15496.9767 without restraints) Performing minimization step: 699. Total energy = 15489.9600 kcal/mol (15484.4749 without restraints) Performing minimization step: 700. Total energy = 15477.4785 kcal/mol (15471.9970 without restraints) Writing PDB file: /home/ubuntu/rna-tools/rna_tools/tools/webserver-engine/media/jobs/4d8172bd/tmp/CPMA1_refx/CPMA1_refx.pdb ...Done. Performing minimization step: 701. Total energy = 15465.0220 kcal/mol (15459.5442 without restraints) Performing minimization step: 702. Total energy = 15452.5896 kcal/mol (15447.1154 without restraints) Performing minimization step: 703. Total energy = 15440.1816 kcal/mol (15434.7110 without restraints) Performing minimization step: 704. Total energy = 15427.7978 kcal/mol (15422.3308 without restraints) Performing minimization step: 705. Total energy = 15415.4385 kcal/mol (15409.9754 without restraints) Performing minimization step: 706. Total energy = 15403.1032 kcal/mol (15397.6438 without restraints) Performing minimization step: 707. Total energy = 15390.7924 kcal/mol (15385.3365 without restraints) Performing minimization step: 708. Total energy = 15378.5057 kcal/mol (15373.0534 without restraints) Performing minimization step: 709. Total energy = 15366.2432 kcal/mol (15360.7946 without restraints) Performing minimization step: 710. Total energy = 15354.0041 kcal/mol (15348.5590 without restraints) Performing minimization step: 711. Total energy = 15341.7890 kcal/mol (15336.3476 without restraints) Performing minimization step: 712. Total energy = 15329.5978 kcal/mol (15324.1600 without restraints) Performing minimization step: 713. Total energy = 15317.4303 kcal/mol (15311.9962 without restraints) Performing minimization step: 714. Total energy = 15305.2869 kcal/mol (15299.8565 without restraints) Performing minimization step: 715. Total energy = 15293.1669 kcal/mol (15287.7400 without restraints) Performing minimization step: 716. Total energy = 15281.0703 kcal/mol (15275.6468 without restraints) Performing minimization step: 717. Total energy = 15268.9969 kcal/mol (15263.5770 without restraints) Performing minimization step: 718. Total energy = 15256.9471 kcal/mol (15251.5308 without restraints) Performing minimization step: 719. Total energy = 15244.9205 kcal/mol (15239.5077 without restraints) Performing minimization step: 720. Total energy = 15232.9174 kcal/mol (15227.5082 without restraints) Performing minimization step: 721. Total energy = 15220.9383 kcal/mol (15215.5329 without restraints) Performing minimization step: 722. Total energy = 15208.9820 kcal/mol (15203.5798 without restraints) Performing minimization step: 723. Total energy = 15197.0483 kcal/mol (15191.6498 without restraints) Performing minimization step: 724. Total energy = 15185.1372 kcal/mol (15179.7422 without restraints) Performing minimization step: 725. Total energy = 15173.2495 kcal/mol (15167.8580 without restraints) Performing minimization step: 726. Total energy = 15161.3840 kcal/mol (15155.9959 without restraints) Performing minimization step: 727. Total energy = 15149.5416 kcal/mol (15144.1571 without restraints) Performing minimization step: 728. Total energy = 15137.7213 kcal/mol (15132.3402 without restraints) Performing minimization step: 729. Total energy = 15125.9244 kcal/mol (15120.5468 without restraints) Performing minimization step: 730. Total energy = 15114.1498 kcal/mol (15108.7758 without restraints) Performing minimization step: 731. Total energy = 15102.3976 kcal/mol (15097.0271 without restraints) Performing minimization step: 732. Total energy = 15090.6683 kcal/mol (15085.3012 without restraints) Performing minimization step: 733. Total energy = 15078.9621 kcal/mol (15073.5985 without restraints) Performing minimization step: 734. Total energy = 15067.2776 kcal/mol (15061.9175 without restraints) Performing minimization step: 735. Total energy = 15055.6150 kcal/mol (15050.2582 without restraints) Performing minimization step: 736. Total energy = 15043.9748 kcal/mol (15038.6215 without restraints) Performing minimization step: 737. Total energy = 15032.3566 kcal/mol (15027.0066 without restraints) Performing minimization step: 738. Total energy = 15020.7603 kcal/mol (15015.4138 without restraints) Performing minimization step: 739. Total energy = 15009.1862 kcal/mol (15003.8431 without restraints) Performing minimization step: 740. Total energy = 14997.6342 kcal/mol (14992.2946 without restraints) Performing minimization step: 741. Total energy = 14986.1037 kcal/mol (14980.7674 without restraints) Performing minimization step: 742. Total energy = 14974.5950 kcal/mol (14969.2621 without restraints) Performing minimization step: 743. Total energy = 14963.1080 kcal/mol (14957.7785 without restraints) Performing minimization step: 744. Total energy = 14951.6424 kcal/mol (14946.3164 without restraints) Performing minimization step: 745. Total energy = 14940.1992 kcal/mol (14934.8765 without restraints) Performing minimization step: 746. Total energy = 14928.7770 kcal/mol (14923.4577 without restraints) Performing minimization step: 747. Total energy = 14917.3763 kcal/mol (14912.0603 without restraints) Performing minimization step: 748. Total energy = 14905.9969 kcal/mol (14900.6842 without restraints) Performing minimization step: 749. Total energy = 14894.6383 kcal/mol (14889.3290 without restraints) Performing minimization step: 750. Total energy = 14883.3013 kcal/mol (14877.9952 without restraints) Performing minimization step: 751. Total energy = 14871.9854 kcal/mol (14866.6827 without restraints) Performing minimization step: 752. Total energy = 14860.6908 kcal/mol (14855.3915 without restraints) Performing minimization step: 753. Total energy = 14849.4175 kcal/mol (14844.1215 without restraints) Performing minimization step: 754. Total energy = 14838.1651 kcal/mol (14832.8724 without restraints) Performing minimization step: 755. Total energy = 14826.9336 kcal/mol (14821.6443 without restraints) Performing minimization step: 756. Total energy = 14815.7238 kcal/mol (14810.4378 without restraints) Performing minimization step: 757. Total energy = 14804.5346 kcal/mol (14799.2518 without restraints) Performing minimization step: 758. Total energy = 14793.3657 kcal/mol (14788.0862 without restraints) Performing minimization step: 759. Total energy = 14782.2179 kcal/mol (14776.9419 without restraints) Performing minimization step: 760. Total energy = 14771.0903 kcal/mol (14765.8173 without restraints) Performing minimization step: 761. Total energy = 14759.9833 kcal/mol (14754.7137 without restraints) Performing minimization step: 762. Total energy = 14748.8971 kcal/mol (14743.6309 without restraints) Performing minimization step: 763. Total energy = 14737.8308 kcal/mol (14732.5677 without restraints) Performing minimization step: 764. Total energy = 14726.7858 kcal/mol (14721.5259 without restraints) Performing minimization step: 765. Total energy = 14715.7607 kcal/mol (14710.5041 without restraints) Performing minimization step: 766. Total energy = 14704.7557 kcal/mol (14699.5024 without restraints) Performing minimization step: 767. Total energy = 14693.7712 kcal/mol (14688.5212 without restraints) Performing minimization step: 768. Total energy = 14682.8068 kcal/mol (14677.5599 without restraints) Performing minimization step: 769. Total energy = 14671.8628 kcal/mol (14666.6191 without restraints) Performing minimization step: 770. Total energy = 14660.9386 kcal/mol (14655.6982 without restraints) Performing minimization step: 771. Total energy = 14650.0343 kcal/mol (14644.7969 without restraints) Performing minimization step: 772. Total energy = 14639.1499 kcal/mol (14633.9158 without restraints) Performing minimization step: 773. Total energy = 14628.2852 kcal/mol (14623.0543 without restraints) Performing minimization step: 774. Total energy = 14617.4405 kcal/mol (14612.2129 without restraints) Performing minimization step: 775. Total energy = 14606.6155 kcal/mol (14601.3910 without restraints) Performing minimization step: 776. Total energy = 14595.8111 kcal/mol (14590.5898 without restraints) Performing minimization step: 777. Total energy = 14585.0256 kcal/mol (14579.8076 without restraints) Performing minimization step: 778. Total energy = 14574.2596 kcal/mol (14569.0446 without restraints) Performing minimization step: 779. Total energy = 14563.5134 kcal/mol (14558.3015 without restraints) Performing minimization step: 780. Total energy = 14552.7866 kcal/mol (14547.5779 without restraints) Performing minimization step: 781. Total energy = 14542.0787 kcal/mol (14536.8731 without restraints) Performing minimization step: 782. Total energy = 14531.3909 kcal/mol (14526.1886 without restraints) Performing minimization step: 783. Total energy = 14520.7222 kcal/mol (14515.5232 without restraints) Performing minimization step: 784. Total energy = 14510.0730 kcal/mol (14504.8767 without restraints) Performing minimization step: 785. Total energy = 14499.4425 kcal/mol (14494.2496 without restraints) Performing minimization step: 786. Total energy = 14488.8316 kcal/mol (14483.6418 without restraints) Performing minimization step: 787. Total energy = 14478.2396 kcal/mol (14473.0529 without restraints) Performing minimization step: 788. Total energy = 14467.6662 kcal/mol (14462.4825 without restraints) Performing minimization step: 789. Total energy = 14457.1120 kcal/mol (14451.9315 without restraints) Performing minimization step: 790. Total energy = 14446.5765 kcal/mol (14441.3991 without restraints) Performing minimization step: 791. Total energy = 14436.0599 kcal/mol (14430.8854 without restraints) Performing minimization step: 792. Total energy = 14425.5617 kcal/mol (14420.3904 without restraints) Performing minimization step: 793. Total energy = 14415.0828 kcal/mol (14409.9146 without restraints) Performing minimization step: 794. Total energy = 14404.6230 kcal/mol (14399.4580 without restraints) Performing minimization step: 795. Total energy = 14394.1813 kcal/mol (14389.0192 without restraints) Performing minimization step: 796. Total energy = 14383.7582 kcal/mol (14378.5993 without restraints) Performing minimization step: 797. Total energy = 14373.3533 kcal/mol (14368.1973 without restraints) Performing minimization step: 798. Total energy = 14362.9673 kcal/mol (14357.8144 without restraints) Performing minimization step: 799. Total energy = 14352.5997 kcal/mol (14347.4499 without restraints) Performing minimization step: 800. Total energy = 14342.2499 kcal/mol (14337.1031 without restraints) Writing PDB file: /home/ubuntu/rna-tools/rna_tools/tools/webserver-engine/media/jobs/4d8172bd/tmp/CPMA1_refx/CPMA1_refx.pdb ...Done. Performing minimization step: 801. Total energy = 14331.9184 kcal/mol (14326.7747 without restraints) Performing minimization step: 802. Total energy = 14321.6057 kcal/mol (14316.4649 without restraints) Performing minimization step: 803. Total energy = 14311.3111 kcal/mol (14306.1734 without restraints) Performing minimization step: 804. Total energy = 14301.0351 kcal/mol (14295.9004 without restraints) Performing minimization step: 805. Total energy = 14290.7769 kcal/mol (14285.6452 without restraints) Performing minimization step: 806. Total energy = 14280.5367 kcal/mol (14275.4080 without restraints) Performing minimization step: 807. Total energy = 14270.3140 kcal/mol (14265.1884 without restraints) Performing minimization step: 808. Total energy = 14260.1096 kcal/mol (14254.9869 without restraints) Performing minimization step: 809. Total energy = 14249.9233 kcal/mol (14244.8036 without restraints) Performing minimization step: 810. Total energy = 14239.7550 kcal/mol (14234.6382 without restraints) Performing minimization step: 811. Total energy = 14229.6042 kcal/mol (14224.4905 without restraints) Performing minimization step: 812. Total energy = 14219.4712 kcal/mol (14214.3604 without restraints) Performing minimization step: 813. Total energy = 14209.3564 kcal/mol (14204.2488 without restraints) Performing minimization step: 814. Total energy = 14199.2589 kcal/mol (14194.1541 without restraints) Performing minimization step: 815. Total energy = 14189.1784 kcal/mol (14184.0766 without restraints) Performing minimization step: 816. Total energy = 14179.1154 kcal/mol (14174.0163 without restraints) Performing minimization step: 817. Total energy = 14169.0698 kcal/mol (14163.9738 without restraints) Performing minimization step: 818. Total energy = 14159.0418 kcal/mol (14153.9488 without restraints) Performing minimization step: 819. Total energy = 14149.0314 kcal/mol (14143.9413 without restraints) Performing minimization step: 820. Total energy = 14139.0381 kcal/mol (14133.9510 without restraints) Performing minimization step: 821. Total energy = 14129.0615 kcal/mol (14123.9772 without restraints) Performing minimization step: 822. Total energy = 14119.1030 kcal/mol (14114.0217 without restraints) Performing minimization step: 823. Total energy = 14109.1612 kcal/mol (14104.0828 without restraints) Performing minimization step: 824. Total energy = 14099.2368 kcal/mol (14094.1614 without restraints) Performing minimization step: 825. Total energy = 14089.3299 kcal/mol (14084.2573 without restraints) Performing minimization step: 826. Total energy = 14079.4397 kcal/mol (14074.3698 without restraints) Performing minimization step: 827. Total energy = 14069.5662 kcal/mol (14064.4994 without restraints) Performing minimization step: 828. Total energy = 14059.7099 kcal/mol (14054.6460 without restraints) Performing minimization step: 829. Total energy = 14049.8705 kcal/mol (14044.8095 without restraints) Performing minimization step: 830. Total energy = 14040.0479 kcal/mol (14034.9898 without restraints) Performing minimization step: 831. Total energy = 14030.2417 kcal/mol (14025.1864 without restraints) Performing minimization step: 832. Total energy = 14020.4529 kcal/mol (14015.4005 without restraints) Performing minimization step: 833. Total energy = 14010.6806 kcal/mol (14005.6311 without restraints) Performing minimization step: 834. Total energy = 14000.9246 kcal/mol (13995.8780 without restraints) Performing minimization step: 835. Total energy = 13991.1851 kcal/mol (13986.1413 without restraints) Performing minimization step: 836. Total energy = 13981.4624 kcal/mol (13976.4215 without restraints) Performing minimization step: 837. Total energy = 13971.7563 kcal/mol (13966.7183 without restraints) Performing minimization step: 838. Total energy = 13962.0666 kcal/mol (13957.0313 without restraints) Performing minimization step: 839. Total energy = 13952.3933 kcal/mol (13947.3609 without restraints) Performing minimization step: 840. Total energy = 13942.7366 kcal/mol (13937.7070 without restraints) Performing minimization step: 841. Total energy = 13933.0959 kcal/mol (13928.0692 without restraints) Performing minimization step: 842. Total energy = 13923.4718 kcal/mol (13918.4479 without restraints) Performing minimization step: 843. Total energy = 13913.8638 kcal/mol (13908.8428 without restraints) Performing minimization step: 844. Total energy = 13904.2717 kcal/mol (13899.2536 without restraints) Performing minimization step: 845. Total energy = 13894.6966 kcal/mol (13889.6813 without restraints) Performing minimization step: 846. Total energy = 13885.1368 kcal/mol (13880.1242 without restraints) Performing minimization step: 847. Total energy = 13875.5931 kcal/mol (13870.5833 without restraints) Performing minimization step: 848. Total energy = 13866.0650 kcal/mol (13861.0579 without restraints) Performing minimization step: 849. Total energy = 13856.5533 kcal/mol (13851.5490 without restraints) Performing minimization step: 850. Total energy = 13847.0577 kcal/mol (13842.0561 without restraints) Performing minimization step: 851. Total energy = 13837.5779 kcal/mol (13832.5792 without restraints) Performing minimization step: 852. Total energy = 13828.1136 kcal/mol (13823.1177 without restraints) Performing minimization step: 853. Total energy = 13818.6651 kcal/mol (13813.6719 without restraints) Performing minimization step: 854. Total energy = 13809.2326 kcal/mol (13804.2422 without restraints) Performing minimization step: 855. Total energy = 13799.8158 kcal/mol (13794.8283 without restraints) Performing minimization step: 856. Total energy = 13790.4147 kcal/mol (13785.4299 without restraints) Performing minimization step: 857. Total energy = 13781.0286 kcal/mol (13776.0463 without restraints) Performing minimization step: 858. Total energy = 13771.6581 kcal/mol (13766.6787 without restraints) Performing minimization step: 859. Total energy = 13762.3034 kcal/mol (13757.3268 without restraints) Performing minimization step: 860. Total energy = 13752.9640 kcal/mol (13747.9900 without restraints) Performing minimization step: 861. Total energy = 13743.6404 kcal/mol (13738.6693 without restraints) Performing minimization step: 862. Total energy = 13734.3320 kcal/mol (13729.3635 without restraints) Performing minimization step: 863. Total energy = 13725.0387 kcal/mol (13720.0731 without restraints) Performing minimization step: 864. Total energy = 13715.7613 kcal/mol (13710.7983 without restraints) Performing minimization step: 865. Total energy = 13706.4989 kcal/mol (13701.5387 without restraints) Performing minimization step: 866. Total energy = 13697.2518 kcal/mol (13692.2940 without restraints) Performing minimization step: 867. Total energy = 13688.0194 kcal/mol (13683.0646 without restraints) Performing minimization step: 868. Total energy = 13678.8025 kcal/mol (13673.8504 without restraints) Performing minimization step: 869. Total energy = 13669.6015 kcal/mol (13664.6522 without restraints) Performing minimization step: 870. Total energy = 13660.4149 kcal/mol (13655.4682 without restraints) Performing minimization step: 871. Total energy = 13651.2432 kcal/mol (13646.2992 without restraints) Performing minimization step: 872. Total energy = 13642.0865 kcal/mol (13637.1452 without restraints) Performing minimization step: 873. Total energy = 13632.9446 kcal/mol (13628.0059 without restraints) Performing minimization step: 874. Total energy = 13623.8176 kcal/mol (13618.8817 without restraints) Performing minimization step: 875. Total energy = 13614.7058 kcal/mol (13609.7726 without restraints) Performing minimization step: 876. Total energy = 13605.6088 kcal/mol (13600.6782 without restraints) Performing minimization step: 877. Total energy = 13596.5264 kcal/mol (13591.5985 without restraints) Performing minimization step: 878. Total energy = 13587.4589 kcal/mol (13582.5336 without restraints) Performing minimization step: 879. Total energy = 13578.4059 kcal/mol (13573.4832 without restraints) Performing minimization step: 880. Total energy = 13569.3675 kcal/mol (13564.4475 without restraints) Performing minimization step: 881. Total energy = 13560.3440 kcal/mol (13555.4267 without restraints) Performing minimization step: 882. Total energy = 13551.3348 kcal/mol (13546.4204 without restraints) Performing minimization step: 883. Total energy = 13542.3401 kcal/mol (13537.4282 without restraints) Performing minimization step: 884. Total energy = 13533.3599 kcal/mol (13528.4506 without restraints) Performing minimization step: 885. Total energy = 13524.3946 kcal/mol (13519.4879 without restraints) Performing minimization step: 886. Total energy = 13515.4431 kcal/mol (13510.5391 without restraints) Performing minimization step: 887. Total energy = 13506.5058 kcal/mol (13501.6044 without restraints) Performing minimization step: 888. Total energy = 13497.5836 kcal/mol (13492.6849 without restraints) Performing minimization step: 889. Total energy = 13488.6752 kcal/mol (13483.7790 without restraints) Performing minimization step: 890. Total energy = 13479.7812 kcal/mol (13474.8876 without restraints) Performing minimization step: 891. Total energy = 13470.9011 kcal/mol (13466.0101 without restraints) Performing minimization step: 892. Total energy = 13462.0355 kcal/mol (13457.1470 without restraints) Performing minimization step: 893. Total energy = 13453.1840 kcal/mol (13448.2982 without restraints) Performing minimization step: 894. Total energy = 13444.3466 kcal/mol (13439.4635 without restraints) Performing minimization step: 895. Total energy = 13435.5232 kcal/mol (13430.6426 without restraints) Performing minimization step: 896. Total energy = 13426.7141 kcal/mol (13421.8362 without restraints) Performing minimization step: 897. Total energy = 13417.9192 kcal/mol (13413.0440 without restraints) Performing minimization step: 898. Total energy = 13409.1381 kcal/mol (13404.2654 without restraints) Performing minimization step: 899. Total energy = 13400.3706 kcal/mol (13395.5004 without restraints) Performing minimization step: 900. Total energy = 13391.6172 kcal/mol (13386.7496 without restraints) Writing PDB file: /home/ubuntu/rna-tools/rna_tools/tools/webserver-engine/media/jobs/4d8172bd/tmp/CPMA1_refx/CPMA1_refx.pdb ...Done. Performing minimization step: 901. Total energy = 13382.8779 kcal/mol (13378.0129 without restraints) Performing minimization step: 902. Total energy = 13374.1524 kcal/mol (13369.2902 without restraints) Performing minimization step: 903. Total energy = 13365.4410 kcal/mol (13360.5811 without restraints) Performing minimization step: 904. Total energy = 13356.7430 kcal/mol (13351.8857 without restraints) Performing minimization step: 905. Total energy = 13348.0585 kcal/mol (13343.2037 without restraints) Performing minimization step: 906. Total energy = 13339.3878 kcal/mol (13334.5358 without restraints) Performing minimization step: 907. Total energy = 13330.7307 kcal/mol (13325.8809 without restraints) Performing minimization step: 908. Total energy = 13322.0868 kcal/mol (13317.2397 without restraints) Performing minimization step: 909. Total energy = 13313.4567 kcal/mol (13308.6122 without restraints) Performing minimization step: 910. Total energy = 13304.8402 kcal/mol (13299.9981 without restraints) Performing minimization step: 911. Total energy = 13296.2368 kcal/mol (13291.3973 without restraints) Performing minimization step: 912. Total energy = 13287.6469 kcal/mol (13282.8100 without restraints) Performing minimization step: 913. Total energy = 13279.0710 kcal/mol (13274.2367 without restraints) Performing minimization step: 914. Total energy = 13270.5085 kcal/mol (13265.6768 without restraints) Performing minimization step: 915. Total energy = 13261.9594 kcal/mol (13257.1301 without restraints) Performing minimization step: 916. Total energy = 13253.4235 kcal/mol (13248.5967 without restraints) Performing minimization step: 917. Total energy = 13244.9005 kcal/mol (13240.0762 without restraints) Performing minimization step: 918. Total energy = 13236.3911 kcal/mol (13231.5693 without restraints) Performing minimization step: 919. Total energy = 13227.8943 kcal/mol (13223.0751 without restraints) Performing minimization step: 920. Total energy = 13219.4113 kcal/mol (13214.5946 without restraints) Performing minimization step: 921. Total energy = 13210.9414 kcal/mol (13206.1272 without restraints) Performing minimization step: 922. Total energy = 13202.4847 kcal/mol (13197.6730 without restraints) Performing minimization step: 923. Total energy = 13194.0414 kcal/mol (13189.2322 without restraints) Performing minimization step: 924. Total energy = 13185.6108 kcal/mol (13180.8040 without restraints) Performing minimization step: 925. Total energy = 13177.1929 kcal/mol (13172.3887 without restraints) Performing minimization step: 926. Total energy = 13168.7888 kcal/mol (13163.9871 without restraints) Performing minimization step: 927. Total energy = 13160.3976 kcal/mol (13155.5984 without restraints) Performing minimization step: 928. Total energy = 13152.0191 kcal/mol (13147.2223 without restraints) Performing minimization step: 929. Total energy = 13143.6534 kcal/mol (13138.8591 without restraints) Performing minimization step: 930. Total energy = 13135.3013 kcal/mol (13130.5096 without restraints) Performing minimization step: 931. Total energy = 13126.9615 kcal/mol (13122.1721 without restraints) Performing minimization step: 932. Total energy = 13118.6345 kcal/mol (13113.8477 without restraints) Performing minimization step: 933. Total energy = 13110.3197 kcal/mol (13105.5354 without restraints) Performing minimization step: 934. Total energy = 13102.0185 kcal/mol (13097.2366 without restraints) Performing minimization step: 935. Total energy = 13093.7298 kcal/mol (13088.9504 without restraints) Performing minimization step: 936. Total energy = 13085.4533 kcal/mol (13080.6764 without restraints) Performing minimization step: 937. Total energy = 13077.1899 kcal/mol (13072.4153 without restraints) Performing minimization step: 938. Total energy = 13068.9389 kcal/mol (13064.1668 without restraints) Performing minimization step: 939. Total energy = 13060.7008 kcal/mol (13055.9311 without restraints) Performing minimization step: 940. Total energy = 13052.4748 kcal/mol (13047.7076 without restraints) Performing minimization step: 941. Total energy = 13044.2615 kcal/mol (13039.4966 without restraints) Performing minimization step: 942. Total energy = 13036.0603 kcal/mol (13031.2980 without restraints) Performing minimization step: 943. Total energy = 13027.8719 kcal/mol (13023.1121 without restraints) Performing minimization step: 944. Total energy = 13019.6961 kcal/mol (13014.9387 without restraints) Performing minimization step: 945. Total energy = 13011.5326 kcal/mol (13006.7776 without restraints) Performing minimization step: 946. Total energy = 13003.3817 kcal/mol (12998.6291 without restraints) Performing minimization step: 947. Total energy = 12995.2430 kcal/mol (12990.4928 without restraints) Performing minimization step: 948. Total energy = 12987.1168 kcal/mol (12982.3690 without restraints) Performing minimization step: 949. Total energy = 12979.0029 kcal/mol (12974.2577 without restraints) Performing minimization step: 950. Total energy = 12970.9007 kcal/mol (12966.1579 without restraints) Performing minimization step: 951. Total energy = 12962.8106 kcal/mol (12958.0701 without restraints) Performing minimization step: 952. Total energy = 12954.7332 kcal/mol (12949.9951 without restraints) Performing minimization step: 953. Total energy = 12946.6683 kcal/mol (12941.9329 without restraints) Performing minimization step: 954. Total energy = 12938.6149 kcal/mol (12933.8818 without restraints) Performing minimization step: 955. Total energy = 12930.5738 kcal/mol (12925.8429 without restraints) Performing minimization step: 956. Total energy = 12922.5448 kcal/mol (12917.8162 without restraints) Performing minimization step: 957. Total energy = 12914.5277 kcal/mol (12909.8017 without restraints) Performing minimization step: 958. Total energy = 12906.5228 kcal/mol (12901.7991 without restraints) Performing minimization step: 959. Total energy = 12898.5299 kcal/mol (12893.8086 without restraints) Performing minimization step: 960. Total energy = 12890.5490 kcal/mol (12885.8301 without restraints) Performing minimization step: 961. Total energy = 12882.5798 kcal/mol (12877.8633 without restraints) Performing minimization step: 962. Total energy = 12874.6228 kcal/mol (12869.9087 without restraints) Performing minimization step: 963. Total energy = 12866.6777 kcal/mol (12861.9659 without restraints) Performing minimization step: 964. Total energy = 12858.7444 kcal/mol (12854.0350 without restraints) Performing minimization step: 965. Total energy = 12850.8227 kcal/mol (12846.1156 without restraints) Performing minimization step: 966. Total energy = 12842.9128 kcal/mol (12838.2080 without restraints) Performing minimization step: 967. Total energy = 12835.0149 kcal/mol (12830.3126 without restraints) Performing minimization step: 968. Total energy = 12827.1287 kcal/mol (12822.4288 without restraints) Performing minimization step: 969. Total energy = 12819.2542 kcal/mol (12814.5566 without restraints) Performing minimization step: 970. Total energy = 12811.3916 kcal/mol (12806.6963 without restraints) Performing minimization step: 971. Total energy = 12803.5408 kcal/mol (12798.8480 without restraints) Performing minimization step: 972. Total energy = 12795.7013 kcal/mol (12791.0108 without restraints) Performing minimization step: 973. Total energy = 12787.8732 kcal/mol (12783.1850 without restraints) Performing minimization step: 974. Total energy = 12780.0569 kcal/mol (12775.3711 without restraints) Performing minimization step: 975. Total energy = 12772.2526 kcal/mol (12767.5692 without restraints) Performing minimization step: 976. Total energy = 12764.4600 kcal/mol (12759.7789 without restraints) Performing minimization step: 977. Total energy = 12756.6781 kcal/mol (12751.9993 without restraints) Performing minimization step: 978. Total energy = 12748.9081 kcal/mol (12744.2317 without restraints) Performing minimization step: 979. Total energy = 12741.1493 kcal/mol (12736.4750 without restraints) Performing minimization step: 980. Total energy = 12733.4019 kcal/mol (12728.7301 without restraints) Performing minimization step: 981. Total energy = 12725.6660 kcal/mol (12720.9965 without restraints) Performing minimization step: 982. Total energy = 12717.9419 kcal/mol (12713.2749 without restraints) Performing minimization step: 983. Total energy = 12710.2287 kcal/mol (12705.5639 without restraints) Performing minimization step: 984. Total energy = 12702.5263 kcal/mol (12697.8637 without restraints) Performing minimization step: 985. Total energy = 12694.8354 kcal/mol (12690.1752 without restraints) Performing minimization step: 986. Total energy = 12687.1559 kcal/mol (12682.4980 without restraints) Performing minimization step: 987. Total energy = 12679.4877 kcal/mol (12674.8322 without restraints) Performing minimization step: 988. Total energy = 12671.8308 kcal/mol (12667.1776 without restraints) Performing minimization step: 989. Total energy = 12664.1849 kcal/mol (12659.5339 without restraints) Performing minimization step: 990. Total energy = 12656.5501 kcal/mol (12651.9015 without restraints) Performing minimization step: 991. Total energy = 12648.9265 kcal/mol (12644.2802 without restraints) Performing minimization step: 992. Total energy = 12641.3138 kcal/mol (12636.6698 without restraints) Performing minimization step: 993. Total energy = 12633.7123 kcal/mol (12629.0705 without restraints) Performing minimization step: 994. Total energy = 12626.1219 kcal/mol (12621.4825 without restraints) Performing minimization step: 995. Total energy = 12618.5428 kcal/mol (12613.9056 without restraints) Performing minimization step: 996. Total energy = 12610.9749 kcal/mol (12606.3400 without restraints) Performing minimization step: 997. Total energy = 12603.4172 kcal/mol (12598.7847 without restraints) Performing minimization step: 998. Total energy = 12595.8704 kcal/mol (12591.2401 without restraints) Performing minimization step: 999. Total energy = 12588.3355 kcal/mol (12583.7075 without restraints) Performing minimization step: 1000. Total energy = 12580.8113 kcal/mol (12576.1854 without restraints) Writing PDB file: /home/ubuntu/rna-tools/rna_tools/tools/webserver-engine/media/jobs/4d8172bd/tmp/CPMA1_refx/CPMA1_refx.pdb ...Done. Performing minimization step: 1001. Total energy = 12573.2976 kcal/mol (12568.6742 without restraints) Performing minimization step: 1002. Total energy = 12565.7954 kcal/mol (12561.1742 without restraints) Performing minimization step: 1003. Total energy = 12558.3035 kcal/mol (12553.6846 without restraints) Performing minimization step: 1004. Total energy = 12550.8230 kcal/mol (12546.2062 without restraints) Performing minimization step: 1005. Total energy = 12543.3526 kcal/mol (12538.7382 without restraints) Performing minimization step: 1006. Total energy = 12535.8932 kcal/mol (12531.2809 without restraints) Performing minimization step: 1007. Total energy = 12528.4447 kcal/mol (12523.8348 without restraints) Performing minimization step: 1008. Total energy = 12521.0069 kcal/mol (12516.3993 without restraints) Performing minimization step: 1009. Total energy = 12513.5796 kcal/mol (12508.9743 without restraints) Performing minimization step: 1010. Total energy = 12506.1637 kcal/mol (12501.5606 without restraints) Performing minimization step: 1011. Total energy = 12498.7582 kcal/mol (12494.1574 without restraints) Performing minimization step: 1012. Total energy = 12491.3631 kcal/mol (12486.7644 without restraints) Performing minimization step: 1013. Total energy = 12483.9786 kcal/mol (12479.3823 without restraints) Performing minimization step: 1014. Total energy = 12476.6050 kcal/mol (12472.0110 without restraints) Performing minimization step: 1015. Total energy = 12469.2418 kcal/mol (12464.6500 without restraints) Performing minimization step: 1016. Total energy = 12461.8889 kcal/mol (12457.2993 without restraints) Performing minimization step: 1017. Total energy = 12454.5467 kcal/mol (12449.9594 without restraints) Performing minimization step: 1018. Total energy = 12447.2148 kcal/mol (12442.6297 without restraints) Performing minimization step: 1019. Total energy = 12439.8936 kcal/mol (12435.3108 without restraints) Performing minimization step: 1020. Total energy = 12432.5827 kcal/mol (12428.0020 without restraints) Performing minimization step: 1021. Total energy = 12425.2821 kcal/mol (12420.7038 without restraints) Performing minimization step: 1022. Total energy = 12417.9924 kcal/mol (12413.4162 without restraints) Performing minimization step: 1023. Total energy = 12410.7129 kcal/mol (12406.1389 without restraints) Performing minimization step: 1024. Total energy = 12403.4437 kcal/mol (12398.8720 without restraints) Performing minimization step: 1025. Total energy = 12396.1839 kcal/mol (12391.6143 without restraints) Performing minimization step: 1026. Total energy = 12388.9352 kcal/mol (12384.3679 without restraints) Performing minimization step: 1027. Total energy = 12381.6970 kcal/mol (12377.1320 without restraints) Performing minimization step: 1028. Total energy = 12374.4690 kcal/mol (12369.9062 without restraints) Performing minimization step: 1029. Total energy = 12367.2515 kcal/mol (12362.6908 without restraints) Performing minimization step: 1030. Total energy = 12360.0440 kcal/mol (12355.4856 without restraints) Performing minimization step: 1031. Total energy = 12352.8469 kcal/mol (12348.2906 without restraints) Performing minimization step: 1032. Total energy = 12345.6604 kcal/mol (12341.1064 without restraints) Performing minimization step: 1033. Total energy = 12338.4836 kcal/mol (12333.9318 without restraints) Performing minimization step: 1034. Total energy = 12331.3170 kcal/mol (12326.7675 without restraints) Performing minimization step: 1035. Total energy = 12324.1608 kcal/mol (12319.6134 without restraints) Performing minimization step: 1036. Total energy = 12317.0145 kcal/mol (12312.4693 without restraints) Performing minimization step: 1037. Total energy = 12309.8780 kcal/mol (12305.3349 without restraints) Performing minimization step: 1038. Total energy = 12302.7518 kcal/mol (12298.2109 without restraints) Performing minimization step: 1039. Total energy = 12295.6355 kcal/mol (12291.0967 without restraints) Performing minimization step: 1040. Total energy = 12288.5290 kcal/mol (12283.9925 without restraints) Performing minimization step: 1041. Total energy = 12281.4324 kcal/mol (12276.8981 without restraints) Performing minimization step: 1042. Total energy = 12274.3461 kcal/mol (12269.8139 without restraints) Performing minimization step: 1043. Total energy = 12267.2700 kcal/mol (12262.7401 without restraints) Performing minimization step: 1044. Total energy = 12260.2034 kcal/mol (12255.6756 without restraints) Performing minimization step: 1045. Total energy = 12253.1472 kcal/mol (12248.6217 without restraints) Performing minimization step: 1046. Total energy = 12246.1008 kcal/mol (12241.5774 without restraints) Performing minimization step: 1047. Total energy = 12239.0642 kcal/mol (12234.5430 without restraints) Performing minimization step: 1048. Total energy = 12232.0378 kcal/mol (12227.5189 without restraints) Performing minimization step: 1049. Total energy = 12225.0215 kcal/mol (12220.5048 without restraints) Performing minimization step: 1050. Total energy = 12218.0148 kcal/mol (12213.5001 without restraints) Performing minimization step: 1051. Total energy = 12211.0174 kcal/mol (12206.5050 without restraints) Performing minimization step: 1052. Total energy = 12204.0301 kcal/mol (12199.5197 without restraints) Performing minimization step: 1053. Total energy = 12197.0525 kcal/mol (12192.5443 without restraints) Performing minimization step: 1054. Total energy = 12190.0842 kcal/mol (12185.5781 without restraints) Performing minimization step: 1055. Total energy = 12183.1260 kcal/mol (12178.6221 without restraints) Performing minimization step: 1056. Total energy = 12176.1776 kcal/mol (12171.6759 without restraints) Performing minimization step: 1057. Total energy = 12169.2390 kcal/mol (12164.7394 without restraints) Performing minimization step: 1058. Total energy = 12162.3098 kcal/mol (12157.8124 without restraints) Performing minimization step: 1059. Total energy = 12155.3903 kcal/mol (12150.8950 without restraints) Performing minimization step: 1060. Total energy = 12148.4803 kcal/mol (12143.9871 without restraints) Performing minimization step: 1061. Total energy = 12141.5799 kcal/mol (12137.0889 without restraints) Performing minimization step: 1062. Total energy = 12134.6892 kcal/mol (12130.2003 without restraints) Performing minimization step: 1063. Total energy = 12127.8079 kcal/mol (12123.3212 without restraints) Performing minimization step: 1064. Total energy = 12120.9363 kcal/mol (12116.4517 without restraints) Performing minimization step: 1065. Total energy = 12114.0741 kcal/mol (12109.5917 without restraints) Performing minimization step: 1066. Total energy = 12107.2210 kcal/mol (12102.7407 without restraints) Performing minimization step: 1067. Total energy = 12100.3779 kcal/mol (12095.8997 without restraints) Performing minimization step: 1068. Total energy = 12093.5443 kcal/mol (12089.0681 without restraints) Performing minimization step: 1069. Total energy = 12086.7203 kcal/mol (12082.2464 without restraints) Performing minimization step: 1070. Total energy = 12079.9059 kcal/mol (12075.4341 without restraints) Performing minimization step: 1071. Total energy = 12073.1007 kcal/mol (12068.6311 without restraints) Performing minimization step: 1072. Total energy = 12066.3046 kcal/mol (12061.8371 without restraints) Performing minimization step: 1073. Total energy = 12059.5181 kcal/mol (12055.0527 without restraints) Performing minimization step: 1074. Total energy = 12052.7411 kcal/mol (12048.2778 without restraints) Performing minimization step: 1075. Total energy = 12045.9736 kcal/mol (12041.5124 without restraints) Performing minimization step: 1076. Total energy = 12039.2152 kcal/mol (12034.7562 without restraints) Performing minimization step: 1077. Total energy = 12032.4663 kcal/mol (12028.0092 without restraints) Performing minimization step: 1078. Total energy = 12025.7264 kcal/mol (12021.2716 without restraints) Performing minimization step: 1079. Total energy = 12018.9961 kcal/mol (12014.5434 without restraints) Performing minimization step: 1080. Total energy = 12012.2751 kcal/mol (12007.8245 without restraints) Performing minimization step: 1081. Total energy = 12005.5631 kcal/mol (12001.1145 without restraints) Performing minimization step: 1082. Total energy = 11998.8602 kcal/mol (11994.4138 without restraints) Performing minimization step: 1083. Total energy = 11992.1670 kcal/mol (11987.7227 without restraints) Performing minimization step: 1084. Total energy = 11985.4826 kcal/mol (11981.0403 without restraints) Performing minimization step: 1085. Total energy = 11978.8073 kcal/mol (11974.3671 without restraints) Performing minimization step: 1086. Total energy = 11972.1411 kcal/mol (11967.7031 without restraints) Performing minimization step: 1087. Total energy = 11965.4841 kcal/mol (11961.0482 without restraints) Performing minimization step: 1088. Total energy = 11958.8360 kcal/mol (11954.4022 without restraints) Performing minimization step: 1089. Total energy = 11952.1972 kcal/mol (11947.7655 without restraints) Performing minimization step: 1090. Total energy = 11945.5675 kcal/mol (11941.1378 without restraints) Performing minimization step: 1091. Total energy = 11938.9468 kcal/mol (11934.5193 without restraints) Performing minimization step: 1092. Total energy = 11932.3353 kcal/mol (11927.9100 without restraints) Performing minimization step: 1093. Total energy = 11925.7325 kcal/mol (11921.3091 without restraints) Performing minimization step: 1094. Total energy = 11919.1391 kcal/mol (11914.7178 without restraints) Performing minimization step: 1095. Total energy = 11912.5546 kcal/mol (11908.1355 without restraints) Performing minimization step: 1096. Total energy = 11905.9791 kcal/mol (11901.5619 without restraints) Performing minimization step: 1097. Total energy = 11899.4121 kcal/mol (11894.9970 without restraints) Performing minimization step: 1098. Total energy = 11892.8545 kcal/mol (11888.4415 without restraints) Performing minimization step: 1099. Total energy = 11886.3055 kcal/mol (11881.8946 without restraints) Performing minimization step: 1100. Total energy = 11879.7653 kcal/mol (11875.3565 without restraints) Writing PDB file: /home/ubuntu/rna-tools/rna_tools/tools/webserver-engine/media/jobs/4d8172bd/tmp/CPMA1_refx/CPMA1_refx.pdb ...Done. Performing minimization step: 1101. Total energy = 11873.2345 kcal/mol (11868.8277 without restraints) Performing minimization step: 1102. Total energy = 11866.7126 kcal/mol (11862.3082 without restraints) Performing minimization step: 1103. Total energy = 11860.2001 kcal/mol (11855.7976 without restraints) Performing minimization step: 1104. Total energy = 11853.6958 kcal/mol (11849.2954 without restraints) Performing minimization step: 1105. Total energy = 11847.2003 kcal/mol (11842.8018 without restraints) Performing minimization step: 1106. Total energy = 11840.7135 kcal/mol (11836.3171 without restraints) Performing minimization step: 1107. Total energy = 11834.2350 kcal/mol (11829.8406 without restraints) Performing minimization step: 1108. Total energy = 11827.7657 kcal/mol (11823.3733 without restraints) Performing minimization step: 1109. Total energy = 11821.3052 kcal/mol (11816.9150 without restraints) Performing minimization step: 1110. Total energy = 11814.8537 kcal/mol (11810.4654 without restraints) Performing minimization step: 1111. Total energy = 11808.4109 kcal/mol (11804.0247 without restraints) Performing minimization step: 1112. Total energy = 11801.9767 kcal/mol (11797.5925 without restraints) Performing minimization step: 1113. Total energy = 11795.5511 kcal/mol (11791.1691 without restraints) Performing minimization step: 1114. Total energy = 11789.1340 kcal/mol (11784.7539 without restraints) Performing minimization step: 1115. Total energy = 11782.7256 kcal/mol (11778.3477 without restraints) Performing minimization step: 1116. Total energy = 11776.3259 kcal/mol (11771.9499 without restraints) Performing minimization step: 1117. Total energy = 11769.9347 kcal/mol (11765.5608 without restraints) Performing minimization step: 1118. Total energy = 11763.5526 kcal/mol (11759.1807 without restraints) Performing minimization step: 1119. Total energy = 11757.1787 kcal/mol (11752.8088 without restraints) Performing minimization step: 1120. Total energy = 11750.8137 kcal/mol (11746.4459 without restraints) Performing minimization step: 1121. Total energy = 11744.4564 kcal/mol (11740.0906 without restraints) Performing minimization step: 1122. Total energy = 11738.1081 kcal/mol (11733.7444 without restraints) Performing minimization step: 1123. Total energy = 11731.7679 kcal/mol (11727.4062 without restraints) Performing minimization step: 1124. Total energy = 11725.4370 kcal/mol (11721.0772 without restraints) Performing minimization step: 1125. Total energy = 11719.1140 kcal/mol (11714.7563 without restraints) Performing minimization step: 1126. Total energy = 11712.7995 kcal/mol (11708.4439 without restraints) Performing minimization step: 1127. Total energy = 11706.4933 kcal/mol (11702.1398 without restraints) Performing minimization step: 1128. Total energy = 11700.1960 kcal/mol (11695.8444 without restraints) Performing minimization step: 1129. Total energy = 11693.9072 kcal/mol (11689.5579 without restraints) Performing minimization step: 1130. Total energy = 11687.6271 kcal/mol (11683.2796 without restraints) Performing minimization step: 1131. Total energy = 11681.3545 kcal/mol (11677.0093 without restraints) Performing minimization step: 1132. Total energy = 11675.0910 kcal/mol (11670.7475 without restraints) Performing minimization step: 1133. Total energy = 11668.8356 kcal/mol (11664.4941 without restraints) Performing minimization step: 1134. Total energy = 11662.5883 kcal/mol (11658.2488 without restraints) Performing minimization step: 1135. Total energy = 11656.3493 kcal/mol (11652.0119 without restraints) Performing minimization step: 1136. Total energy = 11650.1189 kcal/mol (11645.7835 without restraints) Performing minimization step: 1137. Total energy = 11643.8968 kcal/mol (11639.5634 without restraints) Performing minimization step: 1138. Total energy = 11637.6833 kcal/mol (11633.3519 without restraints) Performing minimization step: 1139. Total energy = 11631.4777 kcal/mol (11627.1483 without restraints) Performing minimization step: 1140. Total energy = 11625.2805 kcal/mol (11620.9531 without restraints) Performing minimization step: 1141. Total energy = 11619.0917 kcal/mol (11614.7662 without restraints) Performing minimization step: 1142. Total energy = 11612.9108 kcal/mol (11608.5874 without restraints) Performing minimization step: 1143. Total energy = 11606.7384 kcal/mol (11602.4171 without restraints) Performing minimization step: 1144. Total energy = 11600.5742 kcal/mol (11596.2548 without restraints) Performing minimization step: 1145. Total energy = 11594.4178 kcal/mol (11590.1004 without restraints) Performing minimization step: 1146. Total energy = 11588.2698 kcal/mol (11583.9544 without restraints) Performing minimization step: 1147. Total energy = 11582.1299 kcal/mol (11577.8164 without restraints) Performing minimization step: 1148. Total energy = 11575.9981 kcal/mol (11571.6866 without restraints) Performing minimization step: 1149. Total energy = 11569.8745 kcal/mol (11565.5650 without restraints) Performing minimization step: 1150. Total energy = 11563.7590 kcal/mol (11559.4515 without restraints) Performing minimization step: 1151. Total energy = 11557.6516 kcal/mol (11553.3461 without restraints) Performing minimization step: 1152. Total energy = 11551.5521 kcal/mol (11547.2485 without restraints) Performing minimization step: 1153. Total energy = 11545.4610 kcal/mol (11541.1595 without restraints) Performing minimization step: 1154. Total energy = 11539.3780 kcal/mol (11535.0785 without restraints) Performing minimization step: 1155. Total energy = 11533.3026 kcal/mol (11529.0051 without restraints) Performing minimization step: 1156. Total energy = 11527.2354 kcal/mol (11522.9398 without restraints) Performing minimization step: 1157. Total energy = 11521.1763 kcal/mol (11516.8827 without restraints) Killed /home/ubuntu/rna-tools//opt/qrnas/ Save to CPMA1_refx.pdb DONE!