============================================================================= Reading config file: /home/ubuntu/rna-tools/rna_tools/tools/webserver-engine/media/jobs/4d7f5969/tmp/C8MA2_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/4d7f5969/tmp/C8MA2_refx/C8MA2.pdb ============================================================================= Error: recognition of atom ATOM 19 'H5' DA A 1 ... failed. Atom erased. Error: recognition of atom ATOM 20 'HO5 DA A 1 ... failed. Atom erased. Error: recognition of atom ATOM 24 1H2' DA A 1 ... failed. Atom erased. Error: recognition of atom ATOM 25 2H2' DA A 1 ... failed. Atom erased. Error: recognition of atom ATOM 47 C5M DT A 2 ... failed. Atom erased. Error: recognition of atom ATOM 51 HN3 DT A 2 ... failed. Atom erased. Error: recognition of atom ATOM 52 1HM5 DT A 2 ... failed. Atom erased. Error: recognition of atom ATOM 53 2HM5 DT A 2 ... failed. Atom erased. Error: recognition of atom ATOM 54 3HM5 DT A 2 ... failed. Atom erased. Error: recognition of atom ATOM 81 'H5' DA A 3 ... failed. Atom erased. Error: recognition of atom ATOM 85 1H2' DA A 3 ... failed. Atom erased. Error: recognition of atom ATOM 86 2H2' DA A 3 ... failed. Atom erased. Error: recognition of atom ATOM 114 'H5' DG A 4 ... failed. Atom erased. Error: recognition of atom ATOM 118 1H2' DG A 4 ... failed. Atom erased. Error: recognition of atom ATOM 119 2H2' DG A 4 ... failed. Atom erased. Error: recognition of atom ATOM 144 'H5' DC A 5 ... failed. Atom erased. Error: recognition of atom ATOM 148 1H2' DC A 5 ... failed. Atom erased. Error: recognition of atom ATOM 149 2H2' DC A 5 ... failed. Atom erased. Error: recognition of atom ATOM 176 'H5' DA A 6 ... failed. Atom erased. Error: recognition of atom ATOM 180 1H2' DA A 6 ... failed. Atom erased. Error: recognition of atom ATOM 181 2H2' DA A 6 ... failed. Atom erased. Error: recognition of atom ATOM 203 C5M DT A 7 ... failed. Atom erased. Error: recognition of atom ATOM 207 HN3 DT A 7 ... failed. Atom erased. Error: recognition of atom ATOM 208 1HM5 DT A 7 ... failed. Atom erased. Error: recognition of atom ATOM 209 2HM5 DT A 7 ... failed. Atom erased. Error: recognition of atom ATOM 210 3HM5 DT A 7 ... failed. Atom erased. Error: recognition of atom ATOM 238 'H5' DG A 8 ... failed. Atom erased. Error: recognition of atom ATOM 242 1H2' DG A 8 ... failed. Atom erased. Error: recognition of atom ATOM 243 2H2' DG A 8 ... failed. Atom erased. Error: recognition of atom ATOM 270 'H5' DA A 9 ... failed. Atom erased. Error: recognition of atom ATOM 274 1H2' DA A 9 ... failed. Atom erased. Error: recognition of atom ATOM 275 2H2' DA A 9 ... failed. Atom erased. Error: recognition of atom ATOM 302 'H5' DA A 10 ... failed. Atom erased. Error: recognition of atom ATOM 306 1H2' DA A 10 ... failed. Atom erased. Error: recognition of atom ATOM 307 2H2' DA A 10 ... failed. Atom erased. Error: recognition of atom ATOM 329 C5M DT A 11 ... failed. Atom erased. Error: recognition of atom ATOM 333 HN3 DT A 11 ... failed. Atom erased. Error: recognition of atom ATOM 334 1HM5 DT A 11 ... failed. Atom erased. Error: recognition of atom ATOM 335 2HM5 DT A 11 ... failed. Atom erased. Error: recognition of atom ATOM 336 3HM5 DT A 11 ... failed. Atom erased. Error: recognition of atom ATOM 358 C5M DT A 12 ... failed. Atom erased. Error: recognition of atom ATOM 362 HN3 DT A 12 ... failed. Atom erased. Error: recognition of atom ATOM 363 1HM5 DT A 12 ... failed. Atom erased. Error: recognition of atom ATOM 364 2HM5 DT A 12 ... failed. Atom erased. Error: recognition of atom ATOM 365 3HM5 DT A 12 ... failed. Atom erased. Error: recognition of atom ATOM 390 'H5' DC A 13 ... failed. Atom erased. Error: recognition of atom ATOM 394 1H2' DC A 13 ... failed. Atom erased. Error: recognition of atom ATOM 395 2H2' DC A 13 ... failed. Atom erased. Error: recognition of atom ATOM 420 'H5' DC A 14 ... failed. Atom erased. Error: recognition of atom ATOM 424 1H2' DC A 14 ... failed. Atom erased. Error: recognition of atom ATOM 425 2H2' DC A 14 ... failed. Atom erased. Error: recognition of atom ATOM 450 'H5' DC A 15 ... failed. Atom erased. Error: recognition of atom ATOM 454 1H2' DC A 15 ... failed. Atom erased. Error: recognition of atom ATOM 455 2H2' DC A 15 ... failed. Atom erased. Error: recognition of atom ATOM 483 'H5' DG A 16 ... failed. Atom erased. Error: recognition of atom ATOM 487 1H2' DG A 16 ... failed. Atom erased. Error: recognition of atom ATOM 488 2H2' DG A 16 ... failed. Atom erased. Error: recognition of atom ATOM 515 'H5' DA A 17 ... failed. Atom erased. Error: recognition of atom ATOM 519 1H2' DA A 17 ... failed. Atom erased. Error: recognition of atom ATOM 520 2H2' DA A 17 ... failed. Atom erased. Error: recognition of atom ATOM 547 'H5' DA A 18 ... failed. Atom erased. Error: recognition of atom ATOM 551 1H2' DA A 18 ... failed. Atom erased. Error: recognition of atom ATOM 552 2H2' DA A 18 ... failed. Atom erased. Error: recognition of atom ATOM 580 'H5' DG A 19 ... failed. Atom erased. Error: recognition of atom ATOM 584 1H2' DG A 19 ... failed. Atom erased. Error: recognition of atom ATOM 585 2H2' DG A 19 ... failed. Atom erased. Error: recognition of atom ATOM 612 'H5' DA A 20 ... failed. Atom erased. Error: recognition of atom ATOM 616 1H2' DA A 20 ... failed. Atom erased. Error: recognition of atom ATOM 617 2H2' DA A 20 ... failed. Atom erased. Error: recognition of atom ATOM 642 'H5' DC A 21 ... failed. Atom erased. Error: recognition of atom ATOM 646 1H2' DC A 21 ... failed. Atom erased. Error: recognition of atom ATOM 647 2H2' DC A 21 ... failed. Atom erased. Error: recognition of atom ATOM 675 'H5' DG A 22 ... failed. Atom erased. Error: recognition of atom ATOM 679 1H2' DG A 22 ... failed. Atom erased. Error: recognition of atom ATOM 680 2H2' DG A 22 ... failed. Atom erased. Error: recognition of atom ATOM 705 'H5' DC A 23 ... failed. Atom erased. Error: recognition of atom ATOM 709 1H2' DC A 23 ... failed. Atom erased. Error: recognition of atom ATOM 710 2H2' DC A 23 ... failed. Atom erased. Error: recognition of atom ATOM 737 'H5' DA A 24 ... failed. Atom erased. Error: recognition of atom ATOM 741 1H2' DA A 24 ... failed. Atom erased. Error: recognition of atom ATOM 742 2H2' DA A 24 ... failed. Atom erased. Error: recognition of atom ATOM 764 C5M DT A 25 ... failed. Atom erased. Error: recognition of atom ATOM 768 HN3 DT A 25 ... failed. Atom erased. Error: recognition of atom ATOM 769 1HM5 DT A 25 ... failed. Atom erased. Error: recognition of atom ATOM 770 2HM5 DT A 25 ... failed. Atom erased. Error: recognition of atom ATOM 771 3HM5 DT A 25 ... failed. Atom erased. Error: recognition of atom ATOM 796 'H5' DC A 26 ... failed. Atom erased. Error: recognition of atom ATOM 800 1H2' DC A 26 ... failed. Atom erased. Error: recognition of atom ATOM 801 2H2' DC A 26 ... failed. Atom erased. Error: recognition of atom ATOM 828 'H5' DA A 27 ... failed. Atom erased. Error: recognition of atom ATOM 832 1H2' DA A 27 ... failed. Atom erased. Error: recognition of atom ATOM 833 2H2' DA A 27 ... failed. Atom erased. Error: recognition of atom ATOM 858 'H5' DC A 28 ... failed. Atom erased. Error: recognition of atom ATOM 862 1H2' DC A 28 ... failed. Atom erased. Error: recognition of atom ATOM 863 2H2' DC A 28 ... failed. Atom erased. Error: recognition of atom ATOM 890 'H5' DA A 29 ... failed. Atom erased. Error: recognition of atom ATOM 894 1H2' DA A 29 ... failed. Atom erased. Error: recognition of atom ATOM 895 2H2' DA A 29 ... failed. Atom erased. Error: recognition of atom ATOM 920 'H5' DC A 30 ... failed. Atom erased. Error: recognition of atom ATOM 924 1H2' DC A 30 ... failed. Atom erased. Error: recognition of atom ATOM 925 2H2' DC A 30 ... failed. Atom erased. Error: recognition of atom ATOM 950 'H5' DC A 31 ... failed. Atom erased. Error: recognition of atom ATOM 954 1H2' DC A 31 ... failed. Atom erased. Error: recognition of atom ATOM 955 2H2' DC A 31 ... failed. Atom erased. Error: recognition of atom ATOM 983 'H5' DG A 32 ... failed. Atom erased. Error: recognition of atom ATOM 987 1H2' DG A 32 ... failed. Atom erased. Error: recognition of atom ATOM 988 2H2' DG A 32 ... failed. Atom erased. Error: recognition of atom ATOM 1015 'H5' DA A 33 ... failed. Atom erased. Error: recognition of atom ATOM 1019 1H2' DA A 33 ... failed. Atom erased. Error: recognition of atom ATOM 1020 2H2' DA A 33 ... failed. Atom erased. Error: recognition of atom ATOM 1047 'H5' DA A 34 ... failed. Atom erased. Error: recognition of atom ATOM 1051 1H2' DA A 34 ... failed. Atom erased. Error: recognition of atom ATOM 1052 2H2' DA A 34 ... failed. Atom erased. Error: recognition of atom ATOM 1077 'H5' DC A 35 ... failed. Atom erased. Error: recognition of atom ATOM 1081 1H2' DC A 35 ... failed. Atom erased. Error: recognition of atom ATOM 1082 2H2' DC A 35 ... failed. Atom erased. Error: recognition of atom ATOM 1104 C5M DT A 36 ... failed. Atom erased. Error: recognition of atom ATOM 1108 HN3 DT A 36 ... failed. Atom erased. Error: recognition of atom ATOM 1109 1HM5 DT A 36 ... failed. Atom erased. Error: recognition of atom ATOM 1110 2HM5 DT A 36 ... failed. Atom erased. Error: recognition of atom ATOM 1111 3HM5 DT A 36 ... failed. Atom erased. Error: recognition of atom ATOM 1133 C5M DT A 37 ... failed. Atom erased. Error: recognition of atom ATOM 1137 HN3 DT A 37 ... failed. Atom erased. Error: recognition of atom ATOM 1138 1HM5 DT A 37 ... failed. Atom erased. Error: recognition of atom ATOM 1139 2HM5 DT A 37 ... failed. Atom erased. Error: recognition of atom ATOM 1140 3HM5 DT A 37 ... failed. Atom erased. Error: recognition of atom ATOM 1167 'H5' DA A 38 ... failed. Atom erased. Error: recognition of atom ATOM 1171 1H2' DA A 38 ... failed. Atom erased. Error: recognition of atom ATOM 1172 2H2' DA A 38 ... failed. Atom erased. Error: recognition of atom ATOM 1199 'H5' DA A 39 ... failed. Atom erased. Error: recognition of atom ATOM 1203 1H2' DA A 39 ... failed. Atom erased. Error: recognition of atom ATOM 1204 2H2' DA A 39 ... failed. Atom erased. Error: recognition of atom ATOM 1231 'H5' DA A 40 ... failed. Atom erased. Error: recognition of atom ATOM 1235 1H2' DA A 40 ... failed. Atom erased. Error: recognition of atom ATOM 1236 2H2' DA A 40 ... failed. Atom erased. Error: recognition of atom ATOM 1261 'H5' DC A 41 ... failed. Atom erased. Error: recognition of atom ATOM 1265 1H2' DC A 41 ... failed. Atom erased. Error: recognition of atom ATOM 1266 2H2' DC A 41 ... failed. Atom erased. Error: recognition of atom ATOM 1293 'H5' DA A 42 ... failed. Atom erased. Error: recognition of atom ATOM 1297 1H2' DA A 42 ... failed. Atom erased. Error: recognition of atom ATOM 1298 2H2' DA A 42 ... failed. Atom erased. Error: recognition of atom ATOM 1320 C5M DT A 43 ... failed. Atom erased. Error: recognition of atom ATOM 1324 HN3 DT A 43 ... failed. Atom erased. Error: recognition of atom ATOM 1325 1HM5 DT A 43 ... failed. Atom erased. Error: recognition of atom ATOM 1326 2HM5 DT A 43 ... failed. Atom erased. Error: recognition of atom ATOM 1327 3HM5 DT A 43 ... failed. Atom erased. Error: recognition of atom ATOM 1354 'H5' DA A 44 ... failed. Atom erased. Error: recognition of atom ATOM 1358 1H2' DA A 44 ... failed. Atom erased. Error: recognition of atom ATOM 1359 2H2' DA A 44 ... failed. Atom erased. Error: recognition of atom ATOM 1386 'H5' DA A 45 ... failed. Atom erased. Error: recognition of atom ATOM 1390 1H2' DA A 45 ... failed. Atom erased. Error: recognition of atom ATOM 1391 2H2' DA A 45 ... failed. Atom erased. Error: recognition of atom ATOM 1416 'H5' DC A 46 ... failed. Atom erased. Error: recognition of atom ATOM 1420 1H2' DC A 46 ... failed. Atom erased. Error: recognition of atom ATOM 1421 2H2' DC A 46 ... failed. Atom erased. Error: recognition of atom ATOM 1443 C5M DT A 47 ... failed. Atom erased. Error: recognition of atom ATOM 1447 HN3 DT A 47 ... failed. Atom erased. Error: recognition of atom ATOM 1448 1HM5 DT A 47 ... failed. Atom erased. Error: recognition of atom ATOM 1449 2HM5 DT A 47 ... failed. Atom erased. Error: recognition of atom ATOM 1450 3HM5 DT A 47 ... failed. Atom erased. Error: recognition of atom ATOM 1472 C5M DT A 48 ... failed. Atom erased. Error: recognition of atom ATOM 1476 HN3 DT A 48 ... failed. Atom erased. Error: recognition of atom ATOM 1477 1HM5 DT A 48 ... failed. Atom erased. Error: recognition of atom ATOM 1478 2HM5 DT A 48 ... failed. Atom erased. Error: recognition of atom ATOM 1479 3HM5 DT A 48 ... failed. Atom erased. Error: recognition of atom ATOM 1504 'H5' DC A 49 ... failed. Atom erased. Error: recognition of atom ATOM 1508 1H2' DC A 49 ... failed. Atom erased. Error: recognition of atom ATOM 1509 2H2' DC A 49 ... failed. Atom erased. Error: recognition of atom ATOM 1536 'H5' DA A 50 ... failed. Atom erased. Error: recognition of atom ATOM 1540 1H2' DA A 50 ... failed. Atom erased. Error: recognition of atom ATOM 1541 2H2' DA A 50 ... failed. Atom erased. Error: recognition of atom ATOM 1569 'H5' DG A 51 ... failed. Atom erased. Error: recognition of atom ATOM 1573 1H2' DG A 51 ... failed. Atom erased. Error: recognition of atom ATOM 1574 2H2' DG A 51 ... failed. Atom erased. Error: recognition of atom ATOM 1599 'H5' DC A 52 ... failed. Atom erased. Error: recognition of atom ATOM 1603 1H2' DC A 52 ... failed. Atom erased. Error: recognition of atom ATOM 1604 2H2' DC A 52 ... failed. Atom erased. Error: recognition of atom ATOM 1629 'H5' DC A 53 ... failed. Atom erased. Error: recognition of atom ATOM 1633 1H2' DC A 53 ... failed. Atom erased. Error: recognition of atom ATOM 1634 2H2' DC A 53 ... failed. Atom erased. Error: recognition of atom ATOM 1656 C5M DT A 54 ... failed. Atom erased. Error: recognition of atom ATOM 1660 HN3 DT A 54 ... failed. Atom erased. Error: recognition of atom ATOM 1661 1HM5 DT A 54 ... failed. Atom erased. Error: recognition of atom ATOM 1662 2HM5 DT A 54 ... failed. Atom erased. Error: recognition of atom ATOM 1663 3HM5 DT A 54 ... failed. Atom erased. Error: recognition of atom ATOM 1691 'H5' DG A 55 ... failed. Atom erased. Error: recognition of atom ATOM 1695 1H2' DG A 55 ... failed. Atom erased. Error: recognition of atom ATOM 1696 2H2' DG A 55 ... failed. Atom erased. Error: recognition of atom ATOM 1718 C5M DT A 56 ... failed. Atom erased. Error: recognition of atom ATOM 1722 HN3 DT A 56 ... failed. Atom erased. Error: recognition of atom ATOM 1723 1HM5 DT A 56 ... failed. Atom erased. Error: recognition of atom ATOM 1724 2HM5 DT A 56 ... failed. Atom erased. Error: recognition of atom ATOM 1725 3HM5 DT A 56 ... failed. Atom erased. Error: recognition of atom ATOM 1747 C5M DT A 57 ... failed. Atom erased. Error: recognition of atom ATOM 1751 HN3 DT A 57 ... failed. Atom erased. Error: recognition of atom ATOM 1752 1HM5 DT A 57 ... failed. Atom erased. Error: recognition of atom ATOM 1753 2HM5 DT A 57 ... failed. Atom erased. Error: recognition of atom ATOM 1754 3HM5 DT A 57 ... failed. Atom erased. Error: recognition of atom ATOM 1779 'H5' DC A 58 ... failed. Atom erased. Error: recognition of atom ATOM 1783 1H2' DC A 58 ... failed. Atom erased. Error: recognition of atom ATOM 1784 2H2' DC A 58 ... failed. Atom erased. Error: recognition of atom ATOM 1806 C5M DT A 59 ... failed. Atom erased. Error: recognition of atom ATOM 1810 HN3 DT A 59 ... failed. Atom erased. Error: recognition of atom ATOM 1811 1HM5 DT A 59 ... failed. Atom erased. Error: recognition of atom ATOM 1812 2HM5 DT A 59 ... failed. Atom erased. Error: recognition of atom ATOM 1813 3HM5 DT A 59 ... failed. Atom erased. Error: recognition of atom ATOM 1840 'H5' DA A 60 ... failed. Atom erased. Error: recognition of atom ATOM 1844 1H2' DA A 60 ... failed. Atom erased. Error: recognition of atom ATOM 1845 2H2' DA A 60 ... failed. Atom erased. Error: recognition of atom ATOM 1867 C5M DT A 61 ... failed. Atom erased. Error: recognition of atom ATOM 1871 HN3 DT A 61 ... failed. Atom erased. Error: recognition of atom ATOM 1872 1HM5 DT A 61 ... failed. Atom erased. Error: recognition of atom ATOM 1873 2HM5 DT A 61 ... failed. Atom erased. Error: recognition of atom ATOM 1874 3HM5 DT A 61 ... failed. Atom erased. Error: recognition of atom ATOM 1896 C5M DT A 62 ... failed. Atom erased. Error: recognition of atom ATOM 1900 HN3 DT A 62 ... failed. Atom erased. Error: recognition of atom ATOM 1901 1HM5 DT A 62 ... failed. Atom erased. Error: recognition of atom ATOM 1902 2HM5 DT A 62 ... failed. Atom erased. Error: recognition of atom ATOM 1903 3HM5 DT A 62 ... failed. Atom erased. Error: recognition of atom ATOM 1931 'H5' DG A 63 ... failed. Atom erased. Error: recognition of atom ATOM 1935 1H2' DG A 63 ... failed. Atom erased. Error: recognition of atom ATOM 1936 2H2' DG A 63 ... failed. Atom erased. Error: recognition of atom ATOM 1964 'H5' DG A 64 ... failed. Atom erased. Error: recognition of atom ATOM 1968 1H2' DG A 64 ... failed. Atom erased. Error: recognition of atom ATOM 1969 2H2' DG A 64 ... failed. Atom erased. Error: recognition of atom ATOM 1991 C5M DT A 65 ... failed. Atom erased. Error: recognition of atom ATOM 1995 HN3 DT A 65 ... failed. Atom erased. Error: recognition of atom ATOM 1996 1HM5 DT A 65 ... failed. Atom erased. Error: recognition of atom ATOM 1997 2HM5 DT A 65 ... failed. Atom erased. Error: recognition of atom ATOM 1998 3HM5 DT A 65 ... failed. Atom erased. Error: recognition of atom ATOM 2023 'H5' DC A 66 ... failed. Atom erased. Error: recognition of atom ATOM 2027 1H2' DC A 66 ... failed. Atom erased. Error: recognition of atom ATOM 2028 2H2' DC A 66 ... failed. Atom erased. Error: recognition of atom ATOM 2056 'H5' DG A 67 ... failed. Atom erased. Error: recognition of atom ATOM 2060 1H2' DG A 67 ... failed. Atom erased. Error: recognition of atom ATOM 2061 2H2' DG A 67 ... failed. Atom erased. Error: recognition of atom ATOM 2088 'H5' DA A 68 ... failed. Atom erased. Error: recognition of atom ATOM 2092 1H2' DA A 68 ... failed. Atom erased. Error: recognition of atom ATOM 2093 2H2' DA A 68 ... failed. Atom erased. Error: recognition of atom ATOM 2118 'H5' DC A 69 ... failed. Atom erased. Error: recognition of atom ATOM 2122 1H2' DC A 69 ... failed. Atom erased. Error: recognition of atom ATOM 2123 2H2' DC A 69 ... failed. Atom erased. Error: recognition of atom ATOM 2151 'H5' DG A 70 ... failed. Atom erased. Error: recognition of atom ATOM 2155 1H2' DG A 70 ... failed. Atom erased. Error: recognition of atom ATOM 2156 2H2' DG A 70 ... failed. Atom erased. Error: recognition of atom ATOM 2183 'H5' DA A 71 ... failed. Atom erased. Error: recognition of atom ATOM 2187 1H2' DA A 71 ... failed. Atom erased. Error: recognition of atom ATOM 2188 2H2' DA A 71 ... failed. Atom erased. Error: recognition of atom ATOM 2216 'H5' DG A 72 ... failed. Atom erased. Error: recognition of atom ATOM 2220 1H2' DG A 72 ... failed. Atom erased. Error: recognition of atom ATOM 2221 2H2' DG A 72 ... failed. Atom erased. Error: recognition of atom ATOM 2249 'H5' DG A 73 ... failed. Atom erased. Error: recognition of atom ATOM 2253 1H2' DG A 73 ... failed. Atom erased. Error: recognition of atom ATOM 2254 2H2' DG A 73 ... failed. Atom erased. Error: recognition of atom ATOM 2276 C5M DT A 74 ... failed. Atom erased. Error: recognition of atom ATOM 2280 HN3 DT A 74 ... failed. Atom erased. Error: recognition of atom ATOM 2281 1HM5 DT A 74 ... failed. Atom erased. Error: recognition of atom ATOM 2282 2HM5 DT A 74 ... failed. Atom erased. Error: recognition of atom ATOM 2283 3HM5 DT A 74 ... failed. Atom erased. Error: recognition of atom ATOM 2308 'H5' DC A 75 ... failed. Atom erased. Error: recognition of atom ATOM 2312 1H2' DC A 75 ... failed. Atom erased. Error: recognition of atom ATOM 2313 2H2' DC A 75 ... failed. Atom erased. Error: recognition of atom ATOM 2335 C5M DT A 76 ... failed. Atom erased. Error: recognition of atom ATOM 2339 HN3 DT A 76 ... failed. Atom erased. Error: recognition of atom ATOM 2340 1HM5 DT A 76 ... failed. Atom erased. Error: recognition of atom ATOM 2341 2HM5 DT A 76 ... failed. Atom erased. Error: recognition of atom ATOM 2342 3HM5 DT A 76 ... failed. Atom erased. Error: recognition of atom ATOM 2369 'H5' DA A 77 ... failed. Atom erased. Error: recognition of atom ATOM 2373 1H2' DA A 77 ... failed. Atom erased. Error: recognition of atom ATOM 2374 2H2' DA A 77 ... failed. Atom erased. Error: recognition of atom ATOM 2402 'H5' DG A 78 ... failed. Atom erased. Error: recognition of atom ATOM 2406 1H2' DG A 78 ... failed. Atom erased. Error: recognition of atom ATOM 2407 2H2' DG A 78 ... failed. Atom erased. Error: recognition of atom ATOM 2434 'H5' DA A 79 ... failed. Atom erased. Error: recognition of atom ATOM 2438 1H2' DA A 79 ... failed. Atom erased. Error: recognition of atom ATOM 2439 2H2' DA A 79 ... failed. Atom erased. Error: recognition of atom ATOM 2466 'H5' DA A 80 ... failed. Atom erased. Error: recognition of atom ATOM 2470 1H2' DA A 80 ... failed. Atom erased. Error: recognition of atom ATOM 2471 2H2' DA A 80 ... failed. Atom erased. Error: recognition of atom ATOM 2493 C5M DT A 81 ... failed. Atom erased. Error: recognition of atom ATOM 2497 HN3 DT A 81 ... failed. Atom erased. Error: recognition of atom ATOM 2498 1HM5 DT A 81 ... failed. Atom erased. Error: recognition of atom ATOM 2499 2HM5 DT A 81 ... failed. Atom erased. Error: recognition of atom ATOM 2500 3HM5 DT A 81 ... failed. Atom erased. Error: recognition of atom ATOM 2527 'H5' DA A 82 ... failed. Atom erased. Error: recognition of atom ATOM 2531 1H2' DA A 82 ... failed. Atom erased. Error: recognition of atom ATOM 2532 2H2' DA A 82 ... failed. Atom erased. Error: recognition of atom ATOM 2557 'H5' DC A 83 ... failed. Atom erased. Error: recognition of atom ATOM 2561 1H2' DC A 83 ... failed. Atom erased. Error: recognition of atom ATOM 2562 2H2' DC A 83 ... failed. Atom erased. Error: recognition of atom ATOM 2587 'H5' DC A 84 ... failed. Atom erased. Error: recognition of atom ATOM 2591 1H2' DC A 84 ... failed. Atom erased. Error: recognition of atom ATOM 2592 2H2' DC A 84 ... failed. Atom erased. Error: recognition of atom ATOM 2619 'H5' DA A 85 ... failed. Atom erased. Error: recognition of atom ATOM 2623 1H2' DA A 85 ... failed. Atom erased. Error: recognition of atom ATOM 2624 2H2' DA A 85 ... failed. Atom erased. Error: recognition of atom ATOM 2652 'H5' DG A 86 ... failed. Atom erased. Error: recognition of atom ATOM 2653 'HO3 DG A 86 ... failed. Atom erased. Error: recognition of atom ATOM 2657 1H2' DG A 86 ... failed. Atom erased. Error: recognition of atom ATOM 2658 2H2' DG A 86 ... failed. Atom erased. Missing atom added: HETATM 1 P DA A 1 0.316 0.362 -2.744 1.00 0.00 P Missing atom added: HETATM 24 H5'2 DA A 1 1.944 -0.920 -0.662 1.00 0.00 H Missing atom added: HETATM 11 H2'2 DA A 1 2.046 -0.159 3.647 1.00 0.00 H Missing atom added: HETATM 27 H2' DA A 1 0.069 -0.433 3.771 1.00 0.00 H Missing atom added: HETATM 22 H5'2 DT A 2 0.205 -4.059 4.678 1.00 0.00 H Missing atom added: HETATM 25 H2' DT A 2 -3.449 -2.381 6.794 1.00 0.00 H Missing atom added: HETATM 26 H2'2 DT A 2 -3.423 -3.916 7.653 1.00 0.00 H Missing atom added: HETATM 28 H3 DT A 2 -6.277 0.318 4.503 1.00 0.00 H Missing atom added: HETATM 19 C7 DT A 2 -3.412 -1.591 1.525 1.00 0.00 C Missing atom added: HETATM 30 H72 DT A 2 -3.022 -0.675 1.076 1.00 0.00 H Missing atom added: HETATM 29 H71 DT A 2 -4.242 -1.962 0.916 1.00 0.00 H Missing atom added: HETATM 31 H73 DT A 2 -2.621 -2.344 1.542 1.00 0.00 H Missing atom added: HETATM 24 H5'2 DA A 3 -4.661 -6.983 7.573 1.00 0.00 H Missing atom added: HETATM 11 H2'2 DA A 3 -8.521 -5.260 8.718 1.00 0.00 H Missing atom added: HETATM 27 H2' DA A 3 -9.034 -5.485 6.799 1.00 0.00 H Missing atom added: HETATM 25 H5'2 DG A 4 -10.526 -8.916 6.985 1.00 0.00 H Missing atom added: HETATM 11 H2'2 DG A 4 -13.975 -6.684 5.537 1.00 0.00 H Missing atom added: HETATM 28 H2' DG A 4 -13.349 -7.183 3.705 1.00 0.00 H Missing atom added: HETATM 22 H5'2 DC A 5 -15.549 -10.249 3.398 1.00 0.00 H Missing atom added: HETATM 11 H2'2 DC A 5 -17.284 -8.079 -0.035 1.00 0.00 H Missing atom added: HETATM 25 H2' DC A 5 -15.723 -8.790 -1.063 1.00 0.00 H Missing atom added: HETATM 24 H5'2 DA A 6 -17.512 -11.920 -2.511 1.00 0.00 H Missing atom added: HETATM 11 H2'2 DA A 6 -15.806 -10.293 -6.305 1.00 0.00 H Missing atom added: HETATM 27 H2' DA A 6 -14.105 -11.266 -5.906 1.00 0.00 H Missing atom added: HETATM 22 H5'2 DT A 7 -15.542 -14.102 -7.940 1.00 0.00 H Missing atom added: HETATM 25 H2' DT A 7 -10.946 -13.177 -8.587 1.00 0.00 H Missing atom added: HETATM 26 H2'2 DT A 7 -11.163 -14.156 -10.033 1.00 0.00 H Missing atom added: HETATM 28 H3 DT A 7 -8.123 -12.629 -5.196 1.00 0.00 H Missing atom added: HETATM 19 C7 DT A 7 -11.999 -14.297 -3.460 1.00 0.00 C Missing atom added: HETATM 30 H72 DT A 7 -12.209 -13.490 -2.763 1.00 0.00 H Missing atom added: HETATM 29 H71 DT A 7 -11.456 -15.092 -2.951 1.00 0.00 H Missing atom added: HETATM 31 H73 DT A 7 -12.932 -14.690 -3.858 1.00 0.00 H Missing atom added: HETATM 25 H5'2 DG A 8 -10.840 -17.417 -11.512 1.00 0.00 H Missing atom added: HETATM 11 H2'2 DG A 8 -6.423 -17.177 -10.890 1.00 0.00 H Missing atom added: HETATM 28 H2' DG A 8 -6.684 -18.098 -9.135 1.00 0.00 H Missing atom added: HETATM 24 H5'2 DA A 9 -5.717 -21.481 -10.085 1.00 0.00 H Missing atom added: HETATM 11 H2'2 DA A 9 -2.442 -21.627 -7.445 1.00 0.00 H Missing atom added: HETATM 27 H2' DA A 9 -3.808 -22.193 -6.099 1.00 0.00 H Missing atom added: HETATM 24 H5'2 DA A 10 -2.877 -25.898 -6.613 1.00 0.00 H Missing atom added: HETATM 11 H2'2 DA A 10 -2.164 -25.506 -2.248 1.00 0.00 H Missing atom added: HETATM 27 H2' DA A 10 -4.125 -25.770 -1.959 1.00 0.00 H Missing atom added: HETATM 22 H5'2 DT A 11 -3.440 -29.401 -1.520 1.00 0.00 H Missing atom added: HETATM 25 H2' DT A 11 -6.680 -27.416 1.266 1.00 0.00 H Missing atom added: HETATM 26 H2'2 DT A 11 -6.450 -28.840 2.273 1.00 0.00 H Missing atom added: HETATM 28 H3 DT A 11 -10.250 -25.288 -0.183 1.00 0.00 H Missing atom added: HETATM 19 C7 DT A 11 -7.874 -26.705 -3.827 1.00 0.00 C Missing atom added: HETATM 30 H72 DT A 11 -7.758 -25.731 -4.297 1.00 0.00 H Missing atom added: HETATM 29 H71 DT A 11 -8.744 -27.212 -4.243 1.00 0.00 H Missing atom added: HETATM 31 H73 DT A 11 -6.984 -27.304 -4.004 1.00 0.00 H Missing atom added: HETATM 22 H5'2 DT A 12 -6.941 -31.894 3.104 1.00 0.00 H Missing atom added: HETATM 25 H2' DT A 12 -11.164 -29.690 2.920 1.00 0.00 H Missing atom added: HETATM 26 H2'2 DT A 12 -11.624 -30.880 4.132 1.00 0.00 H Missing atom added: HETATM 28 H3 DT A 12 -12.819 -28.044 -0.906 1.00 0.00 H Missing atom added: HETATM 19 C7 DT A 12 -8.936 -30.289 -1.864 1.00 0.00 C Missing atom added: HETATM 30 H72 DT A 12 -8.388 -29.480 -2.351 1.00 0.00 H Missing atom added: HETATM 29 H71 DT A 12 -9.428 -30.898 -2.627 1.00 0.00 H Missing atom added: HETATM 31 H73 DT A 12 -8.233 -30.913 -1.309 1.00 0.00 H Missing atom added: HETATM 22 H5'2 DC A 13 -13.251 -33.662 5.009 1.00 0.00 H Missing atom added: HETATM 11 H2'2 DC A 13 -17.191 -32.051 3.277 1.00 0.00 H Missing atom added: HETATM 25 H2' DC A 13 -16.632 -32.968 1.591 1.00 0.00 H Missing atom added: HETATM 22 H5'2 DC A 14 -18.532 -36.688 2.595 1.00 0.00 H Missing atom added: HETATM 11 H2'2 DC A 14 -21.908 -36.410 -0.221 1.00 0.00 H Missing atom added: HETATM 25 H2' DC A 14 -20.499 -36.802 -1.583 1.00 0.00 H Missing atom added: HETATM 22 H5'2 DC A 15 -20.661 -41.038 -1.298 1.00 0.00 H Missing atom added: HETATM 11 H2'2 DC A 15 -20.087 -40.139 -5.876 1.00 0.00 H Missing atom added: HETATM 25 H2' DC A 15 -18.124 -40.369 -5.576 1.00 0.00 H Missing atom added: HETATM 25 H5'2 DG A 16 -18.792 -44.074 -7.022 1.00 0.00 H Missing atom added: HETATM 11 H2'2 DG A 16 -16.714 -43.666 -10.781 1.00 0.00 H Missing atom added: HETATM 28 H2' DG A 16 -15.104 -43.952 -9.631 1.00 0.00 H Missing atom added: HETATM 24 H5'2 DA A 17 -14.652 -47.634 -9.807 1.00 0.00 H Missing atom added: HETATM 11 H2'2 DA A 17 -10.598 -46.603 -10.875 1.00 0.00 H Missing atom added: HETATM 27 H2' DA A 17 -10.247 -46.813 -8.918 1.00 0.00 H Missing atom added: HETATM 24 H5'2 DA A 18 -11.419 -49.577 -6.321 1.00 0.00 H Missing atom added: HETATM 11 H2'2 DA A 18 -7.305 -51.096 -4.350 1.00 0.00 H Missing atom added: HETATM 27 H2' DA A 18 -6.293 -49.906 -5.599 1.00 0.00 H Missing atom added: HETATM 25 H5'2 DG A 19 -5.854 -46.236 -3.214 1.00 0.00 H Missing atom added: HETATM 11 H2'2 DG A 19 -2.233 -45.980 -5.984 1.00 0.00 H Missing atom added: HETATM 28 H2' DG A 19 -3.386 -45.054 -7.329 1.00 0.00 H Missing atom added: HETATM 24 H5'2 DA A 20 -2.147 -41.743 -6.604 1.00 0.00 H Missing atom added: HETATM 11 H2'2 DA A 20 -1.048 -41.524 -10.983 1.00 0.00 H Missing atom added: HETATM 27 H2' DA A 20 -2.846 -40.656 -11.085 1.00 0.00 H Missing atom added: HETATM 22 H5'2 DC A 21 -4.027 -38.201 -9.967 1.00 0.00 H Missing atom added: HETATM 11 H2'2 DC A 21 -6.465 -39.022 -11.916 1.00 0.00 H Missing atom added: HETATM 25 H2' DC A 21 -7.543 -38.441 -10.336 1.00 0.00 H Missing atom added: HETATM 25 H5'2 DG A 22 -8.211 -35.930 -13.169 1.00 0.00 H Missing atom added: HETATM 11 H2'2 DG A 22 -11.959 -38.310 -13.996 1.00 0.00 H Missing atom added: HETATM 28 H2' DG A 22 -12.630 -37.197 -12.477 1.00 0.00 H Missing atom added: HETATM 22 H5'2 DC A 23 -14.227 -33.919 -14.569 1.00 0.00 H Missing atom added: HETATM 11 H2'2 DC A 23 -16.959 -33.634 -10.950 1.00 0.00 H Missing atom added: HETATM 25 H2' DC A 23 -15.602 -32.342 -10.253 1.00 0.00 H Missing atom added: HETATM 24 H5'2 DA A 24 -13.886 -30.100 -14.624 1.00 0.00 H Missing atom added: HETATM 11 H2'2 DA A 24 -10.012 -29.555 -12.905 1.00 0.00 H Missing atom added: HETATM 27 H2' DA A 24 -10.279 -31.447 -13.493 1.00 0.00 H Missing atom added: HETATM 22 H5'2 DT A 25 -10.978 -26.693 -16.419 1.00 0.00 H Missing atom added: HETATM 25 H2' DT A 25 -13.562 -27.185 -17.699 1.00 0.00 H Missing atom added: HETATM 26 H2'2 DT A 25 -14.522 -25.711 -17.750 1.00 0.00 H Missing atom added: HETATM 28 H3 DT A 25 -12.389 -25.985 -23.418 1.00 0.00 H Missing atom added: HETATM 19 C7 DT A 25 -13.534 -29.754 -21.060 1.00 0.00 C Missing atom added: HETATM 30 H72 DT A 25 -12.592 -30.285 -21.174 1.00 0.00 H Missing atom added: HETATM 29 H71 DT A 25 -14.231 -30.074 -21.835 1.00 0.00 H Missing atom added: HETATM 31 H73 DT A 25 -13.957 -29.965 -20.081 1.00 0.00 H Missing atom added: HETATM 22 H5'2 DC A 26 -9.920 -23.045 -15.988 1.00 0.00 H Missing atom added: HETATM 11 H2'2 DC A 26 -7.769 -23.023 -11.515 1.00 0.00 H Missing atom added: HETATM 25 H2' DC A 26 -8.386 -24.870 -11.067 1.00 0.00 H Missing atom added: HETATM 24 H5'2 DA A 27 -6.220 -27.881 -15.587 1.00 0.00 H Missing atom added: HETATM 11 H2'2 DA A 27 -3.216 -24.259 -15.548 1.00 0.00 H Missing atom added: HETATM 27 H2' DA A 27 -2.476 -25.833 -14.562 1.00 0.00 H Missing atom added: HETATM 22 H5'2 DC A 28 -3.176 -26.858 -21.149 1.00 0.00 H Missing atom added: HETATM 11 H2'2 DC A 28 -7.251 -26.231 -23.321 1.00 0.00 H Missing atom added: HETATM 25 H2' DC A 28 -7.331 -24.366 -22.605 1.00 0.00 H Missing atom added: HETATM 24 H5'2 DA A 29 -3.078 -25.738 -26.830 1.00 0.00 H Missing atom added: HETATM 11 H2'2 DA A 29 -2.515 -29.189 -29.391 1.00 0.00 H Missing atom added: HETATM 27 H2' DA A 29 -3.735 -30.004 -28.034 1.00 0.00 H Missing atom added: HETATM 22 H5'2 DC A 30 -7.789 -29.438 -29.386 1.00 0.00 H Missing atom added: HETATM 11 H2'2 DC A 30 -9.494 -32.901 -28.030 1.00 0.00 H Missing atom added: HETATM 25 H2' DC A 30 -9.584 -31.918 -26.293 1.00 0.00 H Missing atom added: HETATM 22 H5'2 DC A 31 -11.061 -26.686 -28.333 1.00 0.00 H Missing atom added: HETATM 11 H2'2 DC A 31 -9.276 -27.652 -24.077 1.00 0.00 H Missing atom added: HETATM 25 H2' DC A 31 -7.837 -27.643 -25.464 1.00 0.00 H Missing atom added: HETATM 25 H5'2 DG A 32 -11.730 -23.590 -24.359 1.00 0.00 H Missing atom added: HETATM 11 H2'2 DG A 32 -11.858 -20.513 -20.935 1.00 0.00 H Missing atom added: HETATM 28 H2' DG A 32 -11.087 -19.109 -22.131 1.00 0.00 H Missing atom added: HETATM 24 H5'2 DA A 33 -14.902 -17.683 -22.690 1.00 0.00 H Missing atom added: HETATM 11 H2'2 DA A 33 -12.876 -14.079 -20.914 1.00 0.00 H Missing atom added: HETATM 27 H2' DA A 33 -12.067 -13.668 -22.695 1.00 0.00 H Missing atom added: HETATM 24 H5'2 DA A 34 -14.750 -11.058 -23.446 1.00 0.00 H Missing atom added: HETATM 11 H2'2 DA A 34 -11.664 -8.011 -22.970 1.00 0.00 H Missing atom added: HETATM 27 H2' DA A 34 -11.045 -8.574 -24.785 1.00 0.00 H Missing atom added: HETATM 22 H5'2 DC A 35 -11.827 -6.660 -24.593 1.00 0.00 H Missing atom added: HETATM 11 H2'2 DC A 35 -12.077 -3.568 -28.359 1.00 0.00 H Missing atom added: HETATM 25 H2' DC A 35 -12.437 -5.000 -29.707 1.00 0.00 H Missing atom added: HETATM 22 H5'2 DT A 36 -17.524 -5.957 -27.623 1.00 0.00 H Missing atom added: HETATM 25 H2' DT A 36 -14.893 -8.673 -28.310 1.00 0.00 H Missing atom added: HETATM 26 H2'2 DT A 36 -15.108 -10.010 -29.433 1.00 0.00 H Missing atom added: HETATM 28 H3 DT A 36 -11.734 -8.330 -31.995 1.00 0.00 H Missing atom added: HETATM 19 C7 DT A 36 -14.729 -5.014 -33.260 1.00 0.00 C Missing atom added: HETATM 30 H72 DT A 36 -14.505 -5.069 -34.327 1.00 0.00 H Missing atom added: HETATM 29 H71 DT A 36 -14.125 -4.220 -32.810 1.00 0.00 H Missing atom added: HETATM 31 H73 DT A 36 -15.786 -4.772 -33.130 1.00 0.00 H Missing atom added: HETATM 22 H5'2 DT A 37 -15.641 -14.023 -27.993 1.00 0.00 H Missing atom added: HETATM 25 H2' DT A 37 -19.300 -14.441 -31.728 1.00 0.00 H Missing atom added: HETATM 26 H2'2 DT A 37 -18.101 -15.198 -32.769 1.00 0.00 H Missing atom added: HETATM 28 H3 DT A 37 -23.303 -12.663 -31.461 1.00 0.00 H Missing atom added: HETATM 19 C7 DT A 37 -19.975 -9.578 -30.832 1.00 0.00 C Missing atom added: HETATM 30 H72 DT A 37 -20.326 -9.171 -29.879 1.00 0.00 H Missing atom added: HETATM 29 H71 DT A 37 -20.359 -8.949 -31.645 1.00 0.00 H Missing atom added: HETATM 31 H73 DT A 37 -18.881 -9.537 -30.848 1.00 0.00 H Missing atom added: HETATM 24 H5'2 DA A 38 -14.771 -11.178 -31.858 1.00 0.00 H Missing atom added: HETATM 11 H2'2 DA A 38 -14.456 -8.853 -35.708 1.00 0.00 H Missing atom added: HETATM 27 H2' DA A 38 -14.958 -10.231 -37.067 1.00 0.00 H Missing atom added: HETATM 24 H5'2 DA A 39 -18.662 -10.658 -38.810 1.00 0.00 H Missing atom added: HETATM 11 H2'2 DA A 39 -16.869 -8.746 -42.033 1.00 0.00 H Missing atom added: HETATM 27 H2' DA A 39 -17.419 -10.622 -42.452 1.00 0.00 H Missing atom added: HETATM 24 H5'2 DA A 40 -20.376 -10.661 -44.618 1.00 0.00 H Missing atom added: HETATM 11 H2'2 DA A 40 -18.912 -13.261 -47.688 1.00 0.00 H Missing atom added: HETATM 27 H2' DA A 40 -19.876 -14.644 -46.613 1.00 0.00 H Missing atom added: HETATM 22 H5'2 DC A 41 -24.336 -14.071 -46.431 1.00 0.00 H Missing atom added: HETATM 11 H2'2 DC A 41 -23.828 -17.304 -46.006 1.00 0.00 H Missing atom added: HETATM 25 H2' DC A 41 -25.683 -16.945 -46.659 1.00 0.00 H Missing atom added: HETATM 24 H5'2 DA A 42 -27.063 -16.990 -48.257 1.00 0.00 H Missing atom added: HETATM 11 H2'2 DA A 42 -30.446 -19.603 -48.040 1.00 0.00 H Missing atom added: HETATM 27 H2' DA A 42 -29.248 -21.100 -48.605 1.00 0.00 H Missing atom added: HETATM 22 H5'2 DT A 43 -29.307 -18.775 -42.922 1.00 0.00 H Missing atom added: HETATM 25 H2' DT A 43 -30.955 -23.419 -41.975 1.00 0.00 H Missing atom added: HETATM 26 H2'2 DT A 43 -31.428 -22.943 -40.348 1.00 0.00 H Missing atom added: HETATM 28 H3 DT A 43 -27.592 -25.494 -43.737 1.00 0.00 H Missing atom added: HETATM 19 C7 DT A 43 -30.894 -25.958 -46.815 1.00 0.00 C Missing atom added: HETATM 30 H72 DT A 43 -30.950 -27.039 -46.732 1.00 0.00 H Missing atom added: HETATM 29 H71 DT A 43 -30.235 -25.681 -47.634 1.00 0.00 H Missing atom added: HETATM 31 H73 DT A 43 -31.884 -25.547 -46.982 1.00 0.00 H Missing atom added: HETATM 24 H5'2 DA A 44 -27.818 -21.015 -39.748 1.00 0.00 H Missing atom added: HETATM 11 H2'2 DA A 44 -25.099 -21.969 -39.969 1.00 0.00 H Missing atom added: HETATM 27 H2' DA A 44 -25.611 -20.734 -41.455 1.00 0.00 H Missing atom added: HETATM 24 H5'2 DA A 45 -21.791 -20.616 -36.503 1.00 0.00 H Missing atom added: HETATM 11 H2'2 DA A 45 -19.959 -22.102 -39.760 1.00 0.00 H Missing atom added: HETATM 27 H2' DA A 45 -20.123 -20.116 -39.598 1.00 0.00 H Missing atom added: HETATM 22 H5'2 DC A 46 -18.207 -20.174 -34.839 1.00 0.00 H Missing atom added: HETATM 11 H2'2 DC A 46 -19.660 -20.365 -31.913 1.00 0.00 H Missing atom added: HETATM 25 H2' DC A 46 -18.637 -22.078 -31.798 1.00 0.00 H Missing atom added: HETATM 22 H5'2 DT A 47 -14.259 -19.550 -34.116 1.00 0.00 H Missing atom added: HETATM 25 H2' DT A 47 -11.565 -23.627 -32.315 1.00 0.00 H Missing atom added: HETATM 26 H2'2 DT A 47 -11.365 -24.238 -33.952 1.00 0.00 H Missing atom added: HETATM 28 H3 DT A 47 -13.365 -26.480 -29.927 1.00 0.00 H Missing atom added: HETATM 19 C7 DT A 47 -14.171 -22.425 -27.931 1.00 0.00 C Missing atom added: HETATM 30 H72 DT A 47 -13.471 -22.574 -27.102 1.00 0.00 H Missing atom added: HETATM 29 H71 DT A 47 -15.173 -22.728 -27.602 1.00 0.00 H Missing atom added: HETATM 31 H73 DT A 47 -14.195 -21.360 -28.182 1.00 0.00 H Missing atom added: HETATM 22 H5'2 DT A 48 -12.340 -22.958 -38.384 1.00 0.00 H Missing atom added: HETATM 25 H2' DT A 48 -12.849 -27.762 -36.722 1.00 0.00 H Missing atom added: HETATM 26 H2'2 DT A 48 -12.469 -28.453 -38.295 1.00 0.00 H Missing atom added: HETATM 28 H3 DT A 48 -12.505 -28.830 -32.069 1.00 0.00 H Missing atom added: HETATM 19 C7 DT A 48 -15.781 -25.810 -33.247 1.00 0.00 C Missing atom added: HETATM 30 H72 DT A 48 -15.501 -25.040 -32.520 1.00 0.00 H Missing atom added: HETATM 29 H71 DT A 48 -16.583 -26.422 -32.814 1.00 0.00 H Missing atom added: HETATM 31 H73 DT A 48 -16.170 -25.315 -34.144 1.00 0.00 H Missing atom added: HETATM 22 H5'2 DC A 49 -12.172 -27.763 -43.070 1.00 0.00 H Missing atom added: HETATM 11 H2'2 DC A 49 -13.513 -26.433 -47.331 1.00 0.00 H Missing atom added: HETATM 25 H2' DC A 49 -13.503 -24.554 -46.647 1.00 0.00 H Missing atom added: HETATM 24 H5'2 DA A 50 -9.287 -24.601 -47.998 1.00 0.00 H Missing atom added: HETATM 11 H2'2 DA A 50 -10.499 -21.088 -50.652 1.00 0.00 H Missing atom added: HETATM 27 H2' DA A 50 -10.043 -19.919 -49.095 1.00 0.00 H Missing atom added: HETATM 25 H5'2 DG A 51 -7.390 -18.702 -47.664 1.00 0.00 H Missing atom added: HETATM 11 H2'2 DG A 51 -8.475 -15.147 -50.027 1.00 0.00 H Missing atom added: HETATM 28 H2' DG A 51 -8.499 -14.562 -48.116 1.00 0.00 H Missing atom added: HETATM 22 H5'2 DC A 52 -5.417 -12.453 -48.668 1.00 0.00 H Missing atom added: HETATM 11 H2'2 DC A 52 -7.587 -8.662 -48.259 1.00 0.00 H Missing atom added: HETATM 25 H2' DC A 52 -7.408 -9.109 -46.319 1.00 0.00 H Missing atom added: HETATM 22 H5'2 DC A 53 -4.046 -7.191 -45.274 1.00 0.00 H Missing atom added: HETATM 11 H2'2 DC A 53 -5.761 -5.262 -41.759 1.00 0.00 H Missing atom added: HETATM 25 H2' DC A 53 -5.523 -7.076 -40.953 1.00 0.00 H Missing atom added: HETATM 22 H5'2 DT A 54 -2.776 -9.146 -40.802 1.00 0.00 H Missing atom added: HETATM 25 H2' DT A 54 -3.078 -12.386 -41.060 1.00 0.00 H Missing atom added: HETATM 26 H2'2 DT A 54 -3.035 -12.674 -39.325 1.00 0.00 H Missing atom added: HETATM 28 H3 DT A 54 -2.340 -14.898 -44.300 1.00 0.00 H Missing atom added: HETATM 19 C7 DT A 54 -0.509 -10.854 -45.383 1.00 0.00 C Missing atom added: HETATM 30 H72 DT A 54 -0.956 -10.716 -46.352 1.00 0.00 H Missing atom added: HETATM 29 H71 DT A 54 0.439 -11.365 -45.458 1.00 0.00 H Missing atom added: HETATM 31 H73 DT A 54 -0.404 -9.916 -44.863 1.00 0.00 H Missing atom added: HETATM 25 H5'2 DG A 55 -0.846 -9.179 -35.719 1.00 0.00 H Missing atom added: HETATM 11 H2'2 DG A 55 -1.549 -6.349 -35.286 1.00 0.00 H Missing atom added: HETATM 28 H2' DG A 55 -2.437 -7.012 -33.622 1.00 0.00 H Missing atom added: HETATM 22 H5'2 DT A 56 -0.187 -6.391 -30.643 1.00 0.00 H Missing atom added: HETATM 25 H2' DT A 56 -4.181 -7.011 -28.692 1.00 0.00 H Missing atom added: HETATM 26 H2'2 DT A 56 -3.432 -6.284 -27.276 1.00 0.00 H Missing atom added: HETATM 28 H3 DT A 56 -6.466 -10.636 -28.900 1.00 0.00 H Missing atom added: HETATM 19 C7 DT A 56 -2.530 -11.109 -31.316 1.00 0.00 C Missing atom added: HETATM 30 H72 DT A 56 -2.958 -11.665 -32.152 1.00 0.00 H Missing atom added: HETATM 29 H71 DT A 56 -2.122 -11.816 -30.588 1.00 0.00 H Missing atom added: HETATM 31 H73 DT A 56 -1.723 -10.474 -31.686 1.00 0.00 H Missing atom added: HETATM 22 H5'2 DT A 57 -1.022 -6.591 -24.355 1.00 0.00 H Missing atom added: HETATM 25 H2' DT A 57 -4.577 -9.287 -23.013 1.00 0.00 H Missing atom added: HETATM 26 H2'2 DT A 57 -3.802 -9.190 -21.436 1.00 0.00 H Missing atom added: HETATM 28 H3 DT A 57 -5.461 -13.009 -25.058 1.00 0.00 H Missing atom added: HETATM 19 C7 DT A 57 -2.451 -10.663 -27.635 1.00 0.00 C Missing atom added: HETATM 30 H72 DT A 57 -2.965 -10.781 -28.595 1.00 0.00 H Missing atom added: HETATM 29 H71 DT A 57 -1.696 -11.455 -27.543 1.00 0.00 H Missing atom added: HETATM 31 H73 DT A 57 -1.939 -9.695 -27.630 1.00 0.00 H Missing atom added: HETATM 22 H5'2 DC A 58 -1.050 -9.825 -18.885 1.00 0.00 H Missing atom added: HETATM 11 H2'2 DC A 58 -3.902 -12.188 -16.463 1.00 0.00 H Missing atom added: HETATM 25 H2' DC A 58 -3.306 -13.722 -17.598 1.00 0.00 H Missing atom added: HETATM 22 H5'2 DT A 59 -0.447 -15.047 -15.565 1.00 0.00 H Missing atom added: HETATM 25 H2' DT A 59 -2.090 -18.357 -18.546 1.00 0.00 H Missing atom added: HETATM 26 H2'2 DT A 59 -1.345 -19.513 -17.449 1.00 0.00 H Missing atom added: HETATM 28 H3 DT A 59 -2.596 -17.782 -22.838 1.00 0.00 H Missing atom added: HETATM 19 C7 DT A 59 0.069 -14.444 -21.248 1.00 0.00 C Missing atom added: HETATM 30 H72 DT A 59 -0.500 -13.594 -21.619 1.00 0.00 H Missing atom added: HETATM 29 H71 DT A 59 0.835 -14.717 -21.973 1.00 0.00 H Missing atom added: HETATM 31 H73 DT A 59 0.539 -14.185 -20.302 1.00 0.00 H Missing atom added: HETATM 24 H5'2 DA A 60 1.814 -21.095 -17.150 1.00 0.00 H Missing atom added: HETATM 11 H2'2 DA A 60 0.750 -23.530 -20.573 1.00 0.00 H Missing atom added: HETATM 27 H2' DA A 60 1.904 -22.340 -21.690 1.00 0.00 H Missing atom added: HETATM 22 H5'2 DT A 61 5.200 -24.113 -21.256 1.00 0.00 H Missing atom added: HETATM 25 H2' DT A 61 5.288 -21.276 -25.101 1.00 0.00 H Missing atom added: HETATM 26 H2'2 DT A 61 6.552 -22.358 -25.672 1.00 0.00 H Missing atom added: HETATM 28 H3 DT A 61 4.080 -18.108 -21.388 1.00 0.00 H Missing atom added: HETATM 19 C7 DT A 61 5.866 -16.826 -25.379 1.00 0.00 C Missing atom added: HETATM 30 H72 DT A 61 6.857 -16.579 -25.014 1.00 0.00 H Missing atom added: HETATM 29 H71 DT A 61 5.238 -15.940 -25.386 1.00 0.00 H Missing atom added: HETATM 31 H73 DT A 61 5.928 -17.247 -26.376 1.00 0.00 H Missing atom added: HETATM 22 H5'2 DT A 62 10.090 -23.363 -25.584 1.00 0.00 H Missing atom added: HETATM 25 H2' DT A 62 10.994 -19.066 -26.934 1.00 0.00 H Missing atom added: HETATM 26 H2'2 DT A 62 12.514 -19.732 -27.517 1.00 0.00 H Missing atom added: HETATM 28 H3 DT A 62 9.126 -15.487 -24.673 1.00 0.00 H Missing atom added: HETATM 19 C7 DT A 62 9.076 -19.285 -22.023 1.00 0.00 C Missing atom added: HETATM 30 H72 DT A 62 8.023 -19.196 -21.748 1.00 0.00 H Missing atom added: HETATM 29 H71 DT A 62 9.688 -18.813 -21.248 1.00 0.00 H Missing atom added: HETATM 31 H73 DT A 62 9.339 -20.344 -22.084 1.00 0.00 H Missing atom added: HETATM 25 H5'2 DG A 63 15.752 -19.914 -26.842 1.00 0.00 H Missing atom added: HETATM 11 H2'2 DG A 63 17.067 -15.859 -27.547 1.00 0.00 H Missing atom added: HETATM 28 H2' DG A 63 16.653 -15.636 -25.604 1.00 0.00 H Missing atom added: HETATM 25 H5'2 DG A 64 20.283 -16.262 -24.643 1.00 0.00 H Missing atom added: HETATM 11 H2'2 DG A 64 19.793 -12.161 -23.022 1.00 0.00 H Missing atom added: HETATM 28 H2' DG A 64 19.058 -13.014 -21.370 1.00 0.00 H Missing atom added: HETATM 22 H5'2 DT A 65 23.144 -12.690 -20.670 1.00 0.00 H Missing atom added: HETATM 25 H2' DT A 65 19.379 -11.446 -17.657 1.00 0.00 H Missing atom added: HETATM 26 H2'2 DT A 65 20.498 -10.448 -16.737 1.00 0.00 H Missing atom added: HETATM 28 H3 DT A 65 16.542 -13.754 -15.708 1.00 0.00 H Missing atom added: HETATM 19 C7 DT A 65 19.103 -16.599 -18.258 1.00 0.00 C Missing atom added: HETATM 30 H72 DT A 65 18.253 -17.214 -18.560 1.00 0.00 H Missing atom added: HETATM 29 H71 DT A 65 19.588 -17.058 -17.392 1.00 0.00 H Missing atom added: HETATM 31 H73 DT A 65 19.818 -16.551 -19.082 1.00 0.00 H Missing atom added: HETATM 22 H5'2 DC A 66 23.874 -9.377 -14.605 1.00 0.00 H Missing atom added: HETATM 11 H2'2 DC A 66 20.440 -8.017 -11.663 1.00 0.00 H Missing atom added: HETATM 25 H2' DC A 66 20.416 -9.911 -11.023 1.00 0.00 H Missing atom added: HETATM 25 H5'2 DG A 67 23.148 -8.838 -7.734 1.00 0.00 H Missing atom added: HETATM 11 H2'2 DG A 67 20.120 -10.966 -5.010 1.00 0.00 H Missing atom added: HETATM 28 H2' DG A 67 21.056 -12.678 -5.448 1.00 0.00 H Missing atom added: HETATM 24 H5'2 DA A 68 22.693 -12.178 -2.046 1.00 0.00 H Missing atom added: HETATM 11 H2'2 DA A 68 22.177 -15.669 0.218 1.00 0.00 H Missing atom added: HETATM 27 H2' DA A 68 23.815 -16.385 -0.677 1.00 0.00 H Missing atom added: HETATM 22 H5'2 DC A 69 24.811 -9.996 1.032 1.00 0.00 H Missing atom added: HETATM 11 H2'2 DC A 69 28.798 -11.104 3.799 1.00 0.00 H Missing atom added: HETATM 25 H2' DC A 69 27.871 -12.263 5.138 1.00 0.00 H Missing atom added: HETATM 25 H5'2 DG A 70 26.844 -16.699 5.022 1.00 0.00 H Missing atom added: HETATM 11 H2'2 DG A 70 24.180 -17.974 6.340 1.00 0.00 H Missing atom added: HETATM 28 H2' DG A 70 25.137 -19.655 5.837 1.00 0.00 H Missing atom added: HETATM 24 H5'2 DA A 71 24.981 -16.760 8.813 1.00 0.00 H Missing atom added: HETATM 11 H2'2 DA A 71 22.867 -14.729 11.867 1.00 0.00 H Missing atom added: HETATM 27 H2' DA A 71 24.618 -14.658 12.829 1.00 0.00 H Missing atom added: HETATM 25 H5'2 DG A 72 27.492 -12.254 9.972 1.00 0.00 H Missing atom added: HETATM 11 H2'2 DG A 72 28.968 -10.963 14.099 1.00 0.00 H Missing atom added: HETATM 28 H2' DG A 72 30.248 -12.499 14.073 1.00 0.00 H Missing atom added: HETATM 25 H5'2 DG A 73 33.344 -12.387 13.064 1.00 0.00 H Missing atom added: HETATM 11 H2'2 DG A 73 34.055 -11.517 16.766 1.00 0.00 H Missing atom added: HETATM 28 H2' DG A 73 34.970 -13.210 16.224 1.00 0.00 H Missing atom added: HETATM 22 H5'2 DT A 74 38.714 -11.677 16.359 1.00 0.00 H Missing atom added: HETATM 25 H2' DT A 74 39.490 -15.948 17.448 1.00 0.00 H Missing atom added: HETATM 26 H2'2 DT A 74 41.127 -15.386 17.767 1.00 0.00 H Missing atom added: HETATM 28 H3 DT A 74 37.824 -19.139 14.735 1.00 0.00 H Missing atom added: HETATM 19 C7 DT A 74 36.887 -15.003 12.990 1.00 0.00 C Missing atom added: HETATM 30 H72 DT A 74 35.824 -15.156 12.848 1.00 0.00 H Missing atom added: HETATM 29 H71 DT A 74 37.427 -15.233 12.077 1.00 0.00 H Missing atom added: HETATM 31 H73 DT A 74 37.084 -13.983 13.295 1.00 0.00 H Missing atom added: HETATM 22 H5'2 DC A 75 44.216 -14.624 16.258 1.00 0.00 H Missing atom added: HETATM 11 H2'2 DC A 75 44.866 -19.078 16.386 1.00 0.00 H Missing atom added: HETATM 25 H2' DC A 75 44.424 -19.041 14.437 1.00 0.00 H Missing atom added: HETATM 22 H5'2 DT A 76 48.910 -17.977 13.185 1.00 0.00 H Missing atom added: HETATM 25 H2' DT A 76 45.302 -19.744 10.389 1.00 0.00 H Missing atom added: HETATM 26 H2'2 DT A 76 46.477 -20.225 9.170 1.00 0.00 H Missing atom added: HETATM 28 H3 DT A 76 42.165 -18.495 8.334 1.00 0.00 H Missing atom added: HETATM 19 C7 DT A 76 43.676 -15.071 11.043 1.00 0.00 C Missing atom added: HETATM 30 H72 DT A 76 42.709 -14.809 11.487 1.00 0.00 H Missing atom added: HETATM 29 H71 DT A 76 43.845 -14.423 10.173 1.00 0.00 H Missing atom added: HETATM 31 H73 DT A 76 44.462 -14.872 11.780 1.00 0.00 H Missing atom added: HETATM 24 H5'2 DA A 77 48.701 -17.822 7.920 1.00 0.00 H Missing atom added: HETATM 11 H2'2 DA A 77 51.167 -19.454 6.043 1.00 0.00 H Missing atom added: HETATM 27 H2' DA A 77 50.432 -20.658 7.460 1.00 0.00 H Missing atom added: HETATM 25 H5'2 DG A 78 46.671 -19.641 3.478 1.00 0.00 H Missing atom added: HETATM 11 H2'2 DG A 78 44.020 -22.326 2.399 1.00 0.00 H Missing atom added: HETATM 28 H2' DG A 78 43.524 -21.132 3.924 1.00 0.00 H Missing atom added: HETATM 24 H5'2 DA A 79 41.250 -18.019 4.083 1.00 0.00 H Missing atom added: HETATM 11 H2'2 DA A 79 38.838 -16.733 2.686 1.00 0.00 H Missing atom added: HETATM 27 H2' DA A 79 38.305 -18.657 2.578 1.00 0.00 H Missing atom added: HETATM 24 H5'2 DA A 80 36.450 -20.552 5.174 1.00 0.00 H Missing atom added: HETATM 11 H2'2 DA A 80 38.439 -24.602 3.506 1.00 0.00 H Missing atom added: HETATM 27 H2' DA A 80 39.358 -24.898 5.257 1.00 0.00 H Missing atom added: HETATM 22 H5'2 DT A 81 36.453 -26.433 7.475 1.00 0.00 H Missing atom added: HETATM 25 H2' DT A 81 40.467 -26.547 9.961 1.00 0.00 H Missing atom added: HETATM 26 H2'2 DT A 81 39.735 -27.925 10.774 1.00 0.00 H Missing atom added: HETATM 28 H3 DT A 81 42.236 -23.126 11.836 1.00 0.00 H Missing atom added: HETATM 19 C7 DT A 81 38.812 -21.506 9.230 1.00 0.00 C Missing atom added: HETATM 30 H72 DT A 81 39.358 -20.695 8.747 1.00 0.00 H Missing atom added: HETATM 29 H71 DT A 81 38.304 -21.122 10.116 1.00 0.00 H Missing atom added: HETATM 31 H73 DT A 81 38.072 -21.906 8.537 1.00 0.00 H Missing atom added: HETATM 24 H5'2 DA A 82 37.732 -29.072 13.750 1.00 0.00 H Missing atom added: HETATM 11 H2'2 DA A 82 40.458 -26.453 16.407 1.00 0.00 H Missing atom added: HETATM 27 H2' DA A 82 39.051 -25.039 16.264 1.00 0.00 H Missing atom added: HETATM 22 H5'2 DC A 83 36.094 -24.486 18.235 1.00 0.00 H Missing atom added: HETATM 11 H2'2 DC A 83 38.002 -21.256 20.221 1.00 0.00 H Missing atom added: HETATM 25 H2' DC A 83 36.156 -20.920 19.533 1.00 0.00 H Missing atom added: HETATM 22 H5'2 DC A 84 32.866 -21.273 21.808 1.00 0.00 H Missing atom added: HETATM 11 H2'2 DC A 84 33.080 -17.176 22.772 1.00 0.00 H Missing atom added: HETATM 25 H2' DC A 84 31.392 -17.817 21.913 1.00 0.00 H Missing atom added: HETATM 24 H5'2 DA A 85 29.624 -17.794 26.051 1.00 0.00 H Missing atom added: HETATM 11 H2'2 DA A 85 27.221 -14.491 23.780 1.00 0.00 H Missing atom added: HETATM 27 H2' DA A 85 26.052 -15.955 23.080 1.00 0.00 H Missing atom added: HETATM 25 H5'2 DG A 86 23.589 -14.806 26.067 1.00 0.00 H Missing atom added: HETATM 11 H2'2 DG A 86 20.753 -14.317 22.410 1.00 0.00 H Missing atom added: HETATM 28 H2' DG A 86 20.443 -16.292 22.379 1.00 0.00 H Number of atoms: 2722 Number of residues: 86 Building intraresidual bonds... Warning: Bond expected, but some of the atoms are missing: P OP2, residue No. A 1 Warning: Bond expected, but some of the atoms are missing: P OP1, residue No. A 1 Building intraresidual angles... Warning: Angle expected, but some of the atoms are missing: OP2 P O5', residue No. A 1 Warning: Angle expected, but some of the atoms are missing: OP1 P O5', residue No. A 1 Warning: Angle expected, but some of the atoms are missing: OP1 P OP2, residue No. A 1 Building intraresidual dihedrals... Warning: Dihedral expected, but some of the atoms are missing: OP2 P O5' C5', residue No. A 1 Warning: Dihedral expected, but some of the atoms are missing: OP1 P O5' C5', residue No. A 1 Building intraresidual impropers... Building interresidual bonds... Building interresidual angles... Internal Warning: unknown atoms in angle: H5 C2 N* Internal Warning: unknown atoms in angle: H5 C2 NB Internal Warning: unknown atoms in angle: N* C2 NB Internal Warning: unknown atoms in angle: CB N* C2 Internal Warning: unknown atoms in angle: C2 N* CT Internal Warning: unknown atoms in angle: CB NB C2 Internal Warning: unknown atoms in angle: C1 C NA Internal Warning: unknown atoms in angle: C1 C O Internal Warning: unknown atoms in angle: C1 CA N2 Internal Warning: unknown atoms in angle: C1 CA NC Internal Warning: unknown atoms in angle: C C1 C1 Internal Warning: unknown atoms in angle: C C1 CT Internal Warning: unknown atoms in angle: C C1 HA Internal Warning: unknown atoms in angle: C C1 H4 Internal Warning: unknown atoms in angle: CA C1 C1 Internal Warning: unknown atoms in angle: CA C1 HA Internal Warning: unknown atoms in angle: CA C1 H4 Internal Warning: unknown atoms in angle: C1 C1 CT Internal Warning: unknown atoms in angle: C1 C1 HA Internal Warning: unknown atoms in angle: C1 C1 H4 Internal Warning: unknown atoms in angle: C1 C1 N* Internal Warning: unknown atoms in angle: H4 C1 N* Internal Warning: unknown atoms in angle: H1 CT C1 Internal Warning: unknown atoms in angle: HC CT C1 Internal Warning: unknown atoms in angle: C N* C1 Internal Warning: unknown atoms in angle: C1 N* CT Building interresidual dihedrals... Internal Warning: unknown atom(s) in dihedral: X C2 N* X Internal Warning: unknown atom(s) in dihedral: X C2 NB X Internal Warning: unknown atom(s) in dihedral: X C C1 X Internal Warning: unknown atom(s) in dihedral: X CA C1 X Internal Warning: unknown atom(s) in dihedral: X C1 C1 X Internal Warning: unknown atom(s) in dihedral: X C1 CT X Internal Warning: unknown atom(s) in dihedral: X C1 N* X Internal Warning: unknown atom(s) in dihedral: HC CT C1 C1 Internal Warning: unknown atom(s) in dihedral: HC CT C1 C1 Internal Warning: unknown atom(s) in dihedral: C1 C1 C O Internal Warning: unknown atom(s) in dihedral: C1 C1 C O Internal Warning: unknown atom(s) in dihedral: OS CT N* C2 Internal Warning: unknown atom(s) in dihedral: OS CT N* C2 Internal Warning: unknown atom(s) in dihedral: OS CT N* C2 Internal Warning: unknown atom(s) in dihedral: OS CT N* C1 Internal Warning: unknown atom(s) in dihedral: OS CT N* C1 Internal Warning: unknown atom(s) in dihedral: OS CT N* C1 Internal Warning: unknown atom(s) in dihedral: OS CT N* C1 Number of bonds built: 2937 Number of angles built: 5333 Number of dihedrals built: 7963 Number of impropers built: 576 ----------------------------------------------------------------------------- End of molecule (chain) ----------------------------------------------------------------------------- ----------------------------------------------------------------------------- Building interresidual nonbonded pairs & H-bonds (it may take a while)... Number of electrostatic pairs: 3695011 Number of van der Waals pairs: 298686 Number of H-bonds built: 24 Number of spring restraints: 0 Number of positional restraints: 0 Number of base pairs built: 4 Number of molecules (chains) read: 1 ----------------------------------------------------------------------------- Performing minimization step: 1. Total energy = 479593.3537 kcal/mol (477108.1465 without restraints) Performing minimization step: 2. Total energy = 459452.7779 kcal/mol (457173.0566 without restraints) Performing minimization step: 3. Total energy = 440965.9489 kcal/mol (438871.4841 without restraints) Performing minimization step: 4. Total energy = 423970.1601 kcal/mol (422042.7352 without restraints) Performing minimization step: 5. Total energy = 408318.8675 kcal/mol (406542.0723 without restraints) Performing minimization step: 6. Total energy = 393880.0471 kcal/mol (392239.0957 without restraints) Performing minimization step: 7. Total energy = 380534.7408 kcal/mol (379016.3103 without restraints) Performing minimization step: 8. Total energy = 368175.7708 kcal/mol (366767.8589 without restraints) Performing minimization step: 9. Total energy = 356706.5977 kcal/mol (355398.3952 without restraints) Performing minimization step: 10. Total energy = 346040.3042 kcal/mol (344822.0821 without restraints) Performing minimization step: 11. Total energy = 336098.6856 kcal/mol (334961.6934 without restraints) Performing minimization step: 12. Total energy = 326811.4360 kcal/mol (325747.8107 without restraints) Performing minimization step: 13. Total energy = 318115.4110 kcal/mol (317118.0945 without restraints) Performing minimization step: 14. Total energy = 309953.9609 kcal/mol (309016.6246 without restraints) Performing minimization step: 15. Total energy = 302276.3207 kcal/mol (301393.2972 without restraints) Performing minimization step: 16. Total energy = 295037.0528 kcal/mol (294203.2724 without restraints) Performing minimization step: 17. Total energy = 288195.5341 kcal/mol (287406.4669 without restraints) Performing minimization step: 18. Total energy = 281715.4819 kcal/mol (280967.0843 without restraints) Performing minimization step: 19. Total energy = 275564.5198 kcal/mol (274853.1849 without restraints) Performing minimization step: 20. Total energy = 269713.7744 kcal/mol (269036.2867 without restraints) Performing minimization step: 21. Total energy = 264137.5087 kcal/mol (263491.0023 without restraints) Performing minimization step: 22. Total energy = 258812.7829 kcal/mol (258194.7035 without restraints) Performing minimization step: 23. Total energy = 253719.1471 kcal/mol (253127.2174 without restraints) Performing minimization step: 24. Total energy = 248838.3622 kcal/mol (248270.5504 without restraints) Performing minimization step: 25. Total energy = 244154.1473 kcal/mol (243608.6388 without restraints) Performing minimization step: 26. Total energy = 239651.9531 kcal/mol (239127.1253 without restraints) Performing minimization step: 27. Total energy = 235318.7596 kcal/mol (234813.1595 without restraints) Performing minimization step: 28. Total energy = 231142.8958 kcal/mol (230655.2194 without restraints) Performing minimization step: 29. Total energy = 227113.8790 kcal/mol (226642.9543 without restraints) Performing minimization step: 30. Total energy = 223222.2746 kcal/mol (222767.0452 without restraints) Performing minimization step: 31. Total energy = 219459.5711 kcal/mol (219019.0828 without restraints) Performing minimization step: 32. Total energy = 215818.0705 kcal/mol (215391.4595 without restraints) Performing minimization step: 33. Total energy = 212290.7934 kcal/mol (211877.2750 without restraints) Performing minimization step: 34. Total energy = 208871.3937 kcal/mol (208470.2539 without restraints) Performing minimization step: 35. Total energy = 205554.0871 kcal/mol (205164.6739 without restraints) Performing minimization step: 36. Total energy = 202333.5848 kcal/mol (201955.3012 without restraints) Performing minimization step: 37. Total energy = 199205.0397 kcal/mol (198837.3380 without restraints) Performing minimization step: 38. Total energy = 196163.9957 kcal/mol (195806.3714 without restraints) Performing minimization step: 39. Total energy = 193206.3455 kcal/mol (192858.3332 without restraints) Performing minimization step: 40. Total energy = 190328.2935 kcal/mol (189989.4623 without restraints) Performing minimization step: 41. Total energy = 187526.3228 kcal/mol (187196.2731 without restraints) Performing minimization step: 42. Total energy = 184797.1661 kcal/mol (184475.5261 without restraints) Performing minimization step: 43. Total energy = 182137.7816 kcal/mol (181824.2047 without restraints) Performing minimization step: 44. Total energy = 179545.3294 kcal/mol (179239.4917 without restraints) Performing minimization step: 45. Total energy = 177017.1532 kcal/mol (176718.7514 without restraints) Performing minimization step: 46. Total energy = 174550.7626 kcal/mol (174259.5120 without restraints) Performing minimization step: 47. Total energy = 172143.8181 kcal/mol (171859.4510 without restraints) Performing minimization step: 48. Total energy = 169794.1172 kcal/mol (169516.3813 without restraints) Performing minimization step: 49. Total energy = 167499.5836 kcal/mol (167228.2409 without restraints) Performing minimization step: 50. Total energy = 165258.2551 kcal/mol (164993.0804 without restraints) Performing minimization step: 51. Total energy = 163068.2751 kcal/mol (162809.0551 without restraints) Performing minimization step: 52. Total energy = 160927.8845 kcal/mol (160674.4172 without restraints) Performing minimization step: 53. Total energy = 158835.4132 kcal/mol (158587.5063 without restraints) Performing minimization step: 54. Total energy = 156789.2737 kcal/mol (156546.7447 without restraints) Performing minimization step: 55. Total energy = 154787.9557 kcal/mol (154550.6306 without restraints) Performing minimization step: 56. Total energy = 152830.0203 kcal/mol (152597.7332 without restraints) Performing minimization step: 57. Total energy = 150914.0942 kcal/mol (150686.6869 without restraints) Performing minimization step: 58. Total energy = 149038.8664 kcal/mol (148816.1875 without restraints) Performing minimization step: 59. Total energy = 147203.0834 kcal/mol (146984.9881 without restraints) Performing minimization step: 60. Total energy = 145405.5462 kcal/mol (145191.8966 without restraints) Performing minimization step: 61. Total energy = 143645.1068 kcal/mol (143435.7699 without restraints) Performing minimization step: 62. Total energy = 141920.6645 kcal/mol (141715.5131 without restraints) Performing minimization step: 63. Total energy = 140231.1636 kcal/mol (140030.0758 without restraints) Performing minimization step: 64. Total energy = 138575.5911 kcal/mol (138378.4496 without restraints) Performing minimization step: 65. Total energy = 136952.9738 kcal/mol (136759.6661 without restraints) Performing minimization step: 66. Total energy = 135362.3765 kcal/mol (135172.7944 without restraints) Performing minimization step: 67. Total energy = 133802.9001 kcal/mol (133616.9394 without restraints) Performing minimization step: 68. Total energy = 132273.6791 kcal/mol (132091.2398 without restraints) Performing minimization step: 69. Total energy = 130773.8808 kcal/mol (130594.8663 without restraints) Performing minimization step: 70. Total energy = 129302.7035 kcal/mol (129127.0209 without restraints) Performing minimization step: 71. Total energy = 127859.3732 kcal/mol (127686.9329 without restraints) Performing minimization step: 72. Total energy = 126443.1455 kcal/mol (126273.8613 without restraints) Performing minimization step: 73. Total energy = 125053.3019 kcal/mol (124887.0904 without restraints) Performing minimization step: 74. Total energy = 123689.1494 kcal/mol (123525.9303 without restraints) Performing minimization step: 75. Total energy = 122350.0192 kcal/mol (122189.7149 without restraints) Performing minimization step: 76. Total energy = 121035.2654 kcal/mol (120877.8011 without restraints) Performing minimization step: 77. Total energy = 119744.2653 kcal/mol (119589.5687 without restraints) Performing minimization step: 78. Total energy = 118476.4159 kcal/mol (118324.4171 without restraints) Performing minimization step: 79. Total energy = 117231.1356 kcal/mol (117081.7671 without restraints) Performing minimization step: 80. Total energy = 116007.8619 kcal/mol (115861.0584 without restraints) Performing minimization step: 81. Total energy = 114806.0513 kcal/mol (114661.7497 without restraints) Performing minimization step: 82. Total energy = 113625.1778 kcal/mol (113483.3172 without restraints) Performing minimization step: 83. Total energy = 112464.7331 kcal/mol (112325.2543 without restraints) Performing minimization step: 84. Total energy = 111324.2251 kcal/mol (111187.0710 without restraints) Performing minimization step: 85. Total energy = 110203.1777 kcal/mol (110068.2932 without restraints) Performing minimization step: 86. Total energy = 109101.1303 kcal/mol (108968.4616 without restraints) Performing minimization step: 87. Total energy = 108017.6360 kcal/mol (107887.1315 without restraints) Performing minimization step: 88. Total energy = 106952.2631 kcal/mol (106823.8726 without restraints) Performing minimization step: 89. Total energy = 105904.5932 kcal/mol (105778.2680 without restraints) Performing minimization step: 90. Total energy = 104874.2209 kcal/mol (104749.9138 without restraints) Performing minimization step: 91. Total energy = 103860.7531 kcal/mol (103738.4187 without restraints) Performing minimization step: 92. Total energy = 102863.8095 kcal/mol (102743.4034 without restraints) Performing minimization step: 93. Total energy = 101883.0206 kcal/mol (101764.4999 without restraints) Performing minimization step: 94. Total energy = 100918.0282 kcal/mol (100801.3513 without restraints) Performing minimization step: 95. Total energy = 99968.4857 kcal/mol (99853.6123 without restraints) Performing minimization step: 96. Total energy = 99034.0563 kcal/mol (98920.9473 without restraints) Performing minimization step: 97. Total energy = 98114.4135 kcal/mol (98003.0309 without restraints) Performing minimization step: 98. Total energy = 97209.2400 kcal/mol (97099.5468 without restraints) Performing minimization step: 99. Total energy = 96318.2282 kcal/mol (96210.1888 without restraints) Performing minimization step: 100. Total energy = 95441.0794 kcal/mol (95334.6590 without restraints) Writing PDB file: /home/ubuntu/rna-tools/rna_tools/tools/webserver-engine/media/jobs/4d7f5969/tmp/C8MA2_refx/C8MA2_refx.pdb ...Done. Performing minimization step: 101. Total energy = 94577.5038 kcal/mol (94472.6687 without restraints) Performing minimization step: 102. Total energy = 93727.2196 kcal/mol (93623.9369 without restraints) Performing minimization step: 103. Total energy = 92889.9528 kcal/mol (92788.1908 without restraints) Performing minimization step: 104. Total energy = 92065.4377 kcal/mol (91965.1654 without restraints) Performing minimization step: 105. Total energy = 91253.4158 kcal/mol (91154.6032 without restraints) Performing minimization step: 106. Total energy = 90453.6362 kcal/mol (90356.2540 without restraints) Performing minimization step: 107. Total energy = 89665.8546 kcal/mol (89569.8744 without restraints) Performing minimization step: 108. Total energy = 88889.8335 kcal/mol (88795.2277 without restraints) Performing minimization step: 109. Total energy = 88125.3419 kcal/mol (88032.0835 without restraints) Performing minimization step: 110. Total energy = 87372.1546 kcal/mol (87280.2175 without restraints) Performing minimization step: 111. Total energy = 86630.0537 kcal/mol (86539.4125 without restraints) Performing minimization step: 112. Total energy = 85898.8260 kcal/mol (85809.4558 without restraints) Performing minimization step: 113. Total energy = 85178.2643 kcal/mol (85090.1410 without restraints) Performing minimization step: 114. Total energy = 84468.1667 kcal/mol (84381.2668 without restraints) Performing minimization step: 115. Total energy = 83768.3368 kcal/mol (83682.6374 without restraints) Performing minimization step: 116. Total energy = 83078.5829 kcal/mol (82994.0618 without restraints) Performing minimization step: 117. Total energy = 82398.7190 kcal/mol (82315.3543 without restraints) Performing minimization step: 118. Total energy = 81728.5630 kcal/mol (81646.3336 without restraints) Performing minimization step: 119. Total energy = 81067.9378 kcal/mol (80986.8231 without restraints) Performing minimization step: 120. Total energy = 80416.6703 kcal/mol (80336.6501 without restraints) Performing minimization step: 121. Total energy = 79774.5925 kcal/mol (79695.6472 without restraints) Performing minimization step: 122. Total energy = 79141.5398 kcal/mol (79063.6503 without restraints) Performing minimization step: 123. Total energy = 78517.3520 kcal/mol (78440.4994 without restraints) Performing minimization step: 124. Total energy = 77901.8724 kcal/mol (77826.0387 without restraints) Performing minimization step: 125. Total energy = 77294.9483 kcal/mol (77220.1155 without restraints) Performing minimization step: 126. Total energy = 76696.4309 kcal/mol (76622.5817 without restraints) Performing minimization step: 127. Total energy = 76106.1746 kcal/mol (76033.2920 without restraints) Performing minimization step: 128. Total energy = 75524.0370 kcal/mol (75452.1044 without restraints) Performing minimization step: 129. Total energy = 74949.8791 kcal/mol (74878.8804 without restraints) Performing minimization step: 130. Total energy = 74383.5657 kcal/mol (74313.4850 without restraints) Performing minimization step: 131. Total energy = 73824.9640 kcal/mol (73755.7858 without restraints) Performing minimization step: 132. Total energy = 73273.9442 kcal/mol (73205.6534 without restraints) Performing minimization step: 133. Total energy = 72730.3798 kcal/mol (72662.9616 without restraints) Performing minimization step: 134. Total energy = 72194.1473 kcal/mol (72127.5872 without restraints) Performing minimization step: 135. Total energy = 71665.1246 kcal/mol (71599.4085 without restraints) Performing minimization step: 136. Total energy = 71143.1936 kcal/mol (71078.3077 without restraints) Performing minimization step: 137. Total energy = 70628.2384 kcal/mol (70564.1691 without restraints) Performing minimization step: 138. Total energy = 70120.1456 kcal/mol (70056.8798 without restraints) Performing minimization step: 139. Total energy = 69618.8040 kcal/mol (69556.3285 without restraints) Performing minimization step: 140. Total energy = 69124.1048 kcal/mol (69062.4070 without restraints) Performing minimization step: 141. Total energy = 68635.9416 kcal/mol (68575.0091 without restraints) Performing minimization step: 142. Total energy = 68154.2103 kcal/mol (68094.0309 without restraints) Performing minimization step: 143. Total energy = 67678.8089 kcal/mol (67619.3707 without restraints) Performing minimization step: 144. Total energy = 67209.6369 kcal/mol (67150.9282 without restraints) Performing minimization step: 145. Total energy = 66746.5967 kcal/mol (66688.6060 without restraints) Performing minimization step: 146. Total energy = 66289.5923 kcal/mol (66232.3084 without restraints) Performing minimization step: 147. Total energy = 65838.5293 kcal/mol (65781.9413 without restraints) Performing minimization step: 148. Total energy = 65393.3157 kcal/mol (65337.4126 without restraints) Performing minimization step: 149. Total energy = 64953.8607 kcal/mol (64898.6321 without restraints) Performing minimization step: 150. Total energy = 64520.0761 kcal/mol (64465.5117 without restraints) Performing minimization step: 151. Total energy = 64091.8748 kcal/mol (64037.9643 without restraints) Performing minimization step: 152. Total energy = 63669.1717 kcal/mol (63615.9051 without restraints) Performing minimization step: 153. Total energy = 63251.8826 kcal/mol (63199.2502 without restraints) Performing minimization step: 154. Total energy = 62839.9254 kcal/mol (62787.9176 without restraints) Performing minimization step: 155. Total energy = 62433.2203 kcal/mol (62381.8277 without restraints) Performing minimization step: 156. Total energy = 62031.6875 kcal/mol (61980.9009 without restraints) Performing minimization step: 157. Total energy = 61635.2497 kcal/mol (61585.0599 without restraints) Performing minimization step: 158. Total energy = 61243.8305 kcal/mol (61194.2287 without restraints) Performing minimization step: 159. Total energy = 60857.3555 kcal/mol (60808.3329 without restraints) Performing minimization step: 160. Total energy = 60475.7514 kcal/mol (60427.2994 without restraints) Performing minimization step: 161. Total energy = 60098.9453 kcal/mol (60051.0554 without restraints) Performing minimization step: 162. Total energy = 59726.8670 kcal/mol (59679.5311 without restraints) Performing minimization step: 163. Total energy = 59359.4469 kcal/mol (59312.6567 without restraints) Performing minimization step: 164. Total energy = 58996.6163 kcal/mol (58950.3639 without restraints) Performing minimization step: 165. Total energy = 58638.3086 kcal/mol (58592.5860 without restraints) Performing minimization step: 166. Total energy = 58284.4577 kcal/mol (58239.2574 without restraints) Performing minimization step: 167. Total energy = 57934.9983 kcal/mol (57890.3125 without restraints) Performing minimization step: 168. Total energy = 57589.8673 kcal/mol (57545.6888 without restraints) Performing minimization step: 169. Total energy = 57249.0021 kcal/mol (57205.3233 without restraints) Performing minimization step: 170. Total energy = 56912.3404 kcal/mol (56869.1543 without restraints) Performing minimization step: 171. Total energy = 56579.8221 kcal/mol (56537.1214 without restraints) Performing minimization step: 172. Total energy = 56251.3878 kcal/mol (56209.1657 without restraints) Performing minimization step: 173. Total energy = 55926.9790 kcal/mol (55885.2287 without restraints) Performing minimization step: 174. Total energy = 55606.5381 kcal/mol (55565.2528 without restraints) Performing minimization step: 175. Total energy = 55290.0083 kcal/mol (55249.1813 without restraints) Performing minimization step: 176. Total energy = 54977.3342 kcal/mol (54936.9591 without restraints) Performing minimization step: 177. Total energy = 54668.4614 kcal/mol (54628.5317 without restraints) Performing minimization step: 178. Total energy = 54363.3356 kcal/mol (54323.8451 without restraints) Performing minimization step: 179. Total energy = 54061.9041 kcal/mol (54022.8465 without restraints) Performing minimization step: 180. Total energy = 53764.1146 kcal/mol (53725.4838 without restraints) Performing minimization step: 181. Total energy = 53469.9156 kcal/mol (53431.7057 without restraints) Performing minimization step: 182. Total energy = 53179.2576 kcal/mol (53141.4626 without restraints) Performing minimization step: 183. Total energy = 52892.0898 kcal/mol (52854.7040 without restraints) Performing minimization step: 184. Total energy = 52608.3639 kcal/mol (52571.3815 without restraints) Performing minimization step: 185. Total energy = 52328.0316 kcal/mol (52291.4469 without restraints) Performing minimization step: 186. Total energy = 52051.0459 kcal/mol (52014.8535 without restraints) Performing minimization step: 187. Total energy = 51777.3600 kcal/mol (51741.5543 without restraints) Performing minimization step: 188. Total energy = 51506.9277 kcal/mol (51471.5034 without restraints) Performing minimization step: 189. Total energy = 51239.7041 kcal/mol (51204.6559 without restraints) Performing minimization step: 190. Total energy = 50975.6445 kcal/mol (50940.9672 without restraints) Performing minimization step: 191. Total energy = 50714.7059 kcal/mol (50680.3943 without restraints) Performing minimization step: 192. Total energy = 50456.8444 kcal/mol (50422.8935 without restraints) Performing minimization step: 193. Total energy = 50202.0175 kcal/mol (50168.4224 without restraints) Performing minimization step: 194. Total energy = 49950.1840 kcal/mol (49916.9397 without restraints) Performing minimization step: 195. Total energy = 49701.3023 kcal/mol (49668.4041 without restraints) Performing minimization step: 196. Total energy = 49455.3325 kcal/mol (49422.7757 without restraints) Performing minimization step: 197. Total energy = 49212.2336 kcal/mol (49180.0133 without restraints) Performing minimization step: 198. Total energy = 48971.9669 kcal/mol (48940.0785 without restraints) Performing minimization step: 199. Total energy = 48734.4938 kcal/mol (48702.9328 without restraints) Performing minimization step: 200. Total energy = 48499.7756 kcal/mol (48468.5376 without restraints) Writing PDB file: /home/ubuntu/rna-tools/rna_tools/tools/webserver-engine/media/jobs/4d7f5969/tmp/C8MA2_refx/C8MA2_refx.pdb ...Done. Performing minimization step: 201. Total energy = 48267.7748 kcal/mol (48236.8554 without restraints) Performing minimization step: 202. Total energy = 48038.4548 kcal/mol (48007.8496 without restraints) Performing minimization step: 203. Total energy = 47811.7786 kcal/mol (47781.4834 without restraints) Performing minimization step: 204. Total energy = 47587.7107 kcal/mol (47557.7212 without restraints) Performing minimization step: 205. Total energy = 47366.2149 kcal/mol (47336.5270 without restraints) Performing minimization step: 206. Total energy = 47147.2570 kcal/mol (47117.8666 without restraints) Performing minimization step: 207. Total energy = 46930.8023 kcal/mol (46901.7054 without restraints) Performing minimization step: 208. Total energy = 46716.8173 kcal/mol (46688.0099 without restraints) Performing minimization step: 209. Total energy = 46505.2682 kcal/mol (46476.7464 without restraints) Performing minimization step: 210. Total energy = 46296.1220 kcal/mol (46267.8818 without restraints) Performing minimization step: 211. Total energy = 46089.3460 kcal/mol (46061.3837 without restraints) Performing minimization step: 212. Total energy = 45884.9089 kcal/mol (45857.2208 without restraints) Performing minimization step: 213. Total energy = 45682.7787 kcal/mol (45655.3611 without restraints) Performing minimization step: 214. Total energy = 45482.9246 kcal/mol (45455.7738 without restraints) Performing minimization step: 215. Total energy = 45285.3158 kcal/mol (45258.4282 without restraints) Performing minimization step: 216. Total energy = 45089.9222 kcal/mol (45063.2945 without restraints) Performing minimization step: 217. Total energy = 44896.7139 kcal/mol (44870.3422 without restraints) Performing minimization step: 218. Total energy = 44705.6616 kcal/mol (44679.5427 without restraints) Performing minimization step: 219. Total energy = 44516.7367 kcal/mol (44490.8672 without restraints) Performing minimization step: 220. Total energy = 44329.9103 kcal/mol (44304.2870 without restraints) Performing minimization step: 221. Total energy = 44145.1546 kcal/mol (44119.7740 without restraints) Performing minimization step: 222. Total energy = 43962.4415 kcal/mol (43937.3002 without restraints) Performing minimization step: 223. Total energy = 43781.7436 kcal/mol (43756.8387 without restraints) Performing minimization step: 224. Total energy = 43603.0343 kcal/mol (43578.3625 without restraints) Performing minimization step: 225. Total energy = 43426.2869 kcal/mol (43401.8452 without restraints) Performing minimization step: 226. Total energy = 43251.4753 kcal/mol (43227.2605 without restraints) Performing minimization step: 227. Total energy = 43078.5736 kcal/mol (43054.5827 without restraints) Performing minimization step: 228. Total energy = 42907.5563 kcal/mol (42883.7862 without restraints) Performing minimization step: 229. Total energy = 42738.3983 kcal/mol (42714.8464 without restraints) Performing minimization step: 230. Total energy = 42571.0750 kcal/mol (42547.7381 without restraints) Performing minimization step: 231. Total energy = 42405.5613 kcal/mol (42382.4367 without restraints) Performing minimization step: 232. Total energy = 42241.8342 kcal/mol (42218.9190 without restraints) Performing minimization step: 233. Total energy = 42079.8694 kcal/mol (42057.1608 without restraints) Performing minimization step: 234. Total energy = 41919.6436 kcal/mol (41897.1389 without restraints) Performing minimization step: 235. Total energy = 41761.1336 kcal/mol (41738.8302 without restraints) Performing minimization step: 236. Total energy = 41604.3168 kcal/mol (41582.2118 without restraints) Performing minimization step: 237. Total energy = 41449.1697 kcal/mol (41427.2605 without restraints) Performing minimization step: 238. Total energy = 41295.6716 kcal/mol (41273.9557 without restraints) Performing minimization step: 239. Total energy = 41143.8000 kcal/mol (41122.2748 without restraints) Performing minimization step: 240. Total energy = 40993.5334 kcal/mol (40972.1965 without restraints) Performing minimization step: 241. Total energy = 40844.8505 kcal/mol (40823.6992 without restraints) Performing minimization step: 242. Total energy = 40697.7302 kcal/mol (40676.7622 without restraints) Performing minimization step: 243. Total energy = 40552.1524 kcal/mol (40531.3652 without restraints) Performing minimization step: 244. Total energy = 40408.0958 kcal/mol (40387.4870 without restraints) Performing minimization step: 245. Total energy = 40265.5405 kcal/mol (40245.1078 without restraints) Performing minimization step: 246. Total energy = 40124.4674 kcal/mol (40104.2084 without restraints) Performing minimization step: 247. Total energy = 39984.8565 kcal/mol (39964.7689 without restraints) Performing minimization step: 248. Total energy = 39846.6880 kcal/mol (39826.7696 without restraints) Performing minimization step: 249. Total energy = 39709.9432 kcal/mol (39690.1918 without restraints) Performing minimization step: 250. Total energy = 39574.6039 kcal/mol (39555.0171 without restraints) Performing minimization step: 251. Total energy = 39440.6509 kcal/mol (39421.2269 without restraints) Performing minimization step: 252. Total energy = 39308.0659 kcal/mol (39288.8022 without restraints) Performing minimization step: 253. Total energy = 39176.8308 kcal/mol (39157.7254 without restraints) Performing minimization step: 254. Total energy = 39046.9280 kcal/mol (39027.9787 without restraints) Performing minimization step: 255. Total energy = 38918.3401 kcal/mol (38899.5450 without restraints) Performing minimization step: 256. Total energy = 38791.0490 kcal/mol (38772.4061 without restraints) Performing minimization step: 257. Total energy = 38665.0383 kcal/mol (38646.5454 without restraints) Performing minimization step: 258. Total energy = 38540.2911 kcal/mol (38521.9464 without restraints) Performing minimization step: 259. Total energy = 38416.7909 kcal/mol (38398.5923 without restraints) Performing minimization step: 260. Total energy = 38294.5209 kcal/mol (38276.4666 without restraints) Performing minimization step: 261. Total energy = 38173.4653 kcal/mol (38155.5534 without restraints) Performing minimization step: 262. Total energy = 38053.6078 kcal/mol (38035.8364 without restraints) Performing minimization step: 263. Total energy = 37934.9323 kcal/mol (37917.2995 without restraints) Performing minimization step: 264. Total energy = 37817.4239 kcal/mol (37799.9279 without restraints) Performing minimization step: 265. Total energy = 37701.0670 kcal/mol (37683.7061 without restraints) Performing minimization step: 266. Total energy = 37585.8465 kcal/mol (37568.6188 without restraints) Performing minimization step: 267. Total energy = 37471.7474 kcal/mol (37454.6513 without restraints) Performing minimization step: 268. Total energy = 37358.7552 kcal/mol (37341.7888 without restraints) Performing minimization step: 269. Total energy = 37246.8550 kcal/mol (37230.0167 without restraints) Performing minimization step: 270. Total energy = 37136.0326 kcal/mol (37119.3206 without restraints) Performing minimization step: 271. Total energy = 37026.2739 kcal/mol (37009.6867 without restraints) Performing minimization step: 272. Total energy = 36917.5652 kcal/mol (36901.1010 without restraints) Performing minimization step: 273. Total energy = 36809.8924 kcal/mol (36793.5499 without restraints) Performing minimization step: 274. Total energy = 36703.2418 kcal/mol (36687.0190 without restraints) Performing minimization step: 275. Total energy = 36597.6000 kcal/mol (36581.4955 without restraints) Performing minimization step: 276. Total energy = 36492.9536 kcal/mol (36476.9658 without restraints) Performing minimization step: 277. Total energy = 36389.2899 kcal/mol (36373.4174 without restraints) Performing minimization step: 278. Total energy = 36286.5961 kcal/mol (36270.8373 without restraints) Performing minimization step: 279. Total energy = 36184.8594 kcal/mol (36169.2129 without restraints) Performing minimization step: 280. Total energy = 36084.0673 kcal/mol (36068.5315 without restraints) Performing minimization step: 281. Total energy = 35984.2073 kcal/mol (35968.7810 without restraints) Performing minimization step: 282. Total energy = 35885.2672 kcal/mol (35869.9486 without restraints) Performing minimization step: 283. Total energy = 35787.2352 kcal/mol (35772.0230 without restraints) Performing minimization step: 284. Total energy = 35690.0987 kcal/mol (35674.9916 without restraints) Performing minimization step: 285. Total energy = 35593.8467 kcal/mol (35578.8433 without restraints) Performing minimization step: 286. Total energy = 35498.4671 kcal/mol (35483.5660 without restraints) Performing minimization step: 287. Total energy = 35403.9488 kcal/mol (35389.1487 without restraints) Performing minimization step: 288. Total energy = 35310.2805 kcal/mol (35295.5800 without restraints) Performing minimization step: 289. Total energy = 35217.4511 kcal/mol (35202.8491 without restraints) Performing minimization step: 290. Total energy = 35125.4492 kcal/mol (35110.9443 without restraints) Performing minimization step: 291. Total energy = 35034.2644 kcal/mol (35019.8552 without restraints) Performing minimization step: 292. Total energy = 34943.8865 kcal/mol (34929.5718 without restraints) Performing minimization step: 293. Total energy = 34854.3041 kcal/mol (34840.0828 without restraints) Performing minimization step: 294. Total energy = 34765.5071 kcal/mol (34751.3779 without restraints) Performing minimization step: 295. Total energy = 34677.4854 kcal/mol (34663.4471 without restraints) Performing minimization step: 296. Total energy = 34590.2287 kcal/mol (34576.2801 without restraints) Performing minimization step: 297. Total energy = 34503.7270 kcal/mol (34489.8670 without restraints) Performing minimization step: 298. Total energy = 34417.9707 kcal/mol (34404.1981 without restraints) Performing minimization step: 299. Total energy = 34332.9499 kcal/mol (34319.2635 without restraints) Performing minimization step: 300. Total energy = 34248.6547 kcal/mol (34235.0535 without restraints) Writing PDB file: /home/ubuntu/rna-tools/rna_tools/tools/webserver-engine/media/jobs/4d7f5969/tmp/C8MA2_refx/C8MA2_refx.pdb ...Done. Performing minimization step: 301. Total energy = 34165.0762 kcal/mol (34151.5590 without restraints) Performing minimization step: 302. Total energy = 34082.2052 kcal/mol (34068.7710 without restraints) Performing minimization step: 303. Total energy = 34000.0319 kcal/mol (33986.6794 without restraints) Performing minimization step: 304. Total energy = 33918.5470 kcal/mol (33905.2754 without restraints) Performing minimization step: 305. Total energy = 33837.7423 kcal/mol (33824.5506 without restraints) Performing minimization step: 306. Total energy = 33757.6089 kcal/mol (33744.4956 without restraints) Performing minimization step: 307. Total energy = 33678.1374 kcal/mol (33665.1019 without restraints) Performing minimization step: 308. Total energy = 33599.3199 kcal/mol (33586.3610 without restraints) Performing minimization step: 309. Total energy = 33521.1474 kcal/mol (33508.2642 without restraints) Performing minimization step: 310. Total energy = 33443.6119 kcal/mol (33430.8033 without restraints) Performing minimization step: 311. Total energy = 33366.7049 kcal/mol (33353.9700 without restraints) Performing minimization step: 312. Total energy = 33290.4180 kcal/mol (33277.7558 without restraints) Performing minimization step: 313. Total energy = 33214.7436 kcal/mol (33202.1534 without restraints) Performing minimization step: 314. Total energy = 33139.6738 kcal/mol (33127.1544 without restraints) Performing minimization step: 315. Total energy = 33065.2005 kcal/mol (33052.7511 without restraints) Performing minimization step: 316. Total energy = 32991.3168 kcal/mol (32978.9367 without restraints) Performing minimization step: 317. Total energy = 32918.0139 kcal/mol (32905.7017 without restraints) Performing minimization step: 318. Total energy = 32845.2848 kcal/mol (32833.0399 without restraints) Performing minimization step: 319. Total energy = 32773.1218 kcal/mol (32760.9433 without restraints) Performing minimization step: 320. Total energy = 32701.5177 kcal/mol (32689.4049 without restraints) Performing minimization step: 321. Total energy = 32630.4655 kcal/mol (32618.4173 without restraints) Performing minimization step: 322. Total energy = 32559.9578 kcal/mol (32547.9735 without restraints) Performing minimization step: 323. Total energy = 32489.9881 kcal/mol (32478.0669 without restraints) Performing minimization step: 324. Total energy = 32420.5493 kcal/mol (32408.6903 without restraints) Performing minimization step: 325. Total energy = 32351.6340 kcal/mol (32339.8365 without restraints) Performing minimization step: 326. Total energy = 32283.2364 kcal/mol (32271.4995 without restraints) Performing minimization step: 327. Total energy = 32215.3493 kcal/mol (32203.6723 without restraints) Performing minimization step: 328. Total energy = 32147.9659 kcal/mol (32136.3482 without restraints) Performing minimization step: 329. Total energy = 32081.0804 kcal/mol (32069.5209 without restraints) Performing minimization step: 330. Total energy = 32014.6859 kcal/mol (32003.1840 without restraints) Performing minimization step: 331. Total energy = 31948.7764 kcal/mol (31937.3313 without restraints) Performing minimization step: 332. Total energy = 31883.3455 kcal/mol (31871.9567 without restraints) Performing minimization step: 333. Total energy = 31818.3873 kcal/mol (31807.0539 without restraints) Performing minimization step: 334. Total energy = 31753.8957 kcal/mol (31742.6171 without restraints) Performing minimization step: 335. Total energy = 31689.8650 kcal/mol (31678.6404 without restraints) Performing minimization step: 336. Total energy = 31626.2892 kcal/mol (31615.1180 without restraints) Performing minimization step: 337. Total energy = 31563.1624 kcal/mol (31552.0438 without restraints) Performing minimization step: 338. Total energy = 31500.4788 kcal/mol (31489.4121 without restraints) Performing minimization step: 339. Total energy = 31438.2328 kcal/mol (31427.2175 without restraints) Performing minimization step: 340. Total energy = 31376.4190 kcal/mol (31365.4544 without restraints) Performing minimization step: 341. Total energy = 31315.0321 kcal/mol (31304.1175 without restraints) Performing minimization step: 342. Total energy = 31254.0660 kcal/mol (31243.2009 without restraints) Performing minimization step: 343. Total energy = 31193.5166 kcal/mol (31182.7004 without restraints) Performing minimization step: 344. Total energy = 31133.3775 kcal/mol (31122.6094 without restraints) Performing minimization step: 345. Total energy = 31073.6440 kcal/mol (31062.9235 without restraints) Performing minimization step: 346. Total energy = 31014.3110 kcal/mol (31003.6374 without restraints) Performing minimization step: 347. Total energy = 30955.3739 kcal/mol (30944.7467 without restraints) Performing minimization step: 348. Total energy = 30896.8265 kcal/mol (30886.2451 without restraints) Performing minimization step: 349. Total energy = 30838.6650 kcal/mol (30828.1289 without restraints) Performing minimization step: 350. Total energy = 30780.8846 kcal/mol (30770.3932 without restraints) Performing minimization step: 351. Total energy = 30723.4803 kcal/mol (30713.0330 without restraints) Performing minimization step: 352. Total energy = 30666.4473 kcal/mol (30656.0436 without restraints) Performing minimization step: 353. Total energy = 30609.7805 kcal/mol (30599.4198 without restraints) Performing minimization step: 354. Total energy = 30553.4765 kcal/mol (30543.1584 without restraints) Performing minimization step: 355. Total energy = 30497.5302 kcal/mol (30487.2540 without restraints) Performing minimization step: 356. Total energy = 30441.9372 kcal/mol (30431.7025 without restraints) Performing minimization step: 357. Total energy = 30386.6936 kcal/mol (30376.5000 without restraints) Performing minimization step: 358. Total energy = 30331.7940 kcal/mol (30321.6407 without restraints) Performing minimization step: 359. Total energy = 30277.2351 kcal/mol (30267.1217 without restraints) Performing minimization step: 360. Total energy = 30223.0126 kcal/mol (30212.9385 without restraints) Performing minimization step: 361. Total energy = 30169.1221 kcal/mol (30159.0872 without restraints) Performing minimization step: 362. Total energy = 30115.5593 kcal/mol (30105.5629 without restraints) Performing minimization step: 363. Total energy = 30062.3214 kcal/mol (30052.3631 without restraints) Performing minimization step: 364. Total energy = 30009.4035 kcal/mol (29999.4826 without restraints) Performing minimization step: 365. Total energy = 29956.8019 kcal/mol (29946.9182 without restraints) Performing minimization step: 366. Total energy = 29904.5123 kcal/mol (29894.6652 without restraints) Performing minimization step: 367. Total energy = 29852.5320 kcal/mol (29842.7211 without restraints) Performing minimization step: 368. Total energy = 29800.8561 kcal/mol (29791.0811 without restraints) Performing minimization step: 369. Total energy = 29749.4817 kcal/mol (29739.7419 without restraints) Performing minimization step: 370. Total energy = 29698.4049 kcal/mol (29688.7002 without restraints) Performing minimization step: 371. Total energy = 29647.6225 kcal/mol (29637.9523 without restraints) Performing minimization step: 372. Total energy = 29597.1306 kcal/mol (29587.4945 without restraints) Performing minimization step: 373. Total energy = 29546.9256 kcal/mol (29537.3232 without restraints) Performing minimization step: 374. Total energy = 29497.0044 kcal/mol (29487.4353 without restraints) Performing minimization step: 375. Total energy = 29447.3640 kcal/mol (29437.8278 without restraints) Performing minimization step: 376. Total energy = 29398.0008 kcal/mol (29388.4973 without restraints) Performing minimization step: 377. Total energy = 29348.9112 kcal/mol (29339.4395 without restraints) Performing minimization step: 378. Total energy = 29300.0923 kcal/mol (29290.6525 without restraints) Performing minimization step: 379. Total energy = 29251.5410 kcal/mol (29242.1327 without restraints) Performing minimization step: 380. Total energy = 29203.2539 kcal/mol (29193.8766 without restraints) Performing minimization step: 381. Total energy = 29155.2280 kcal/mol (29145.8814 without restraints) Performing minimization step: 382. Total energy = 29107.4602 kcal/mol (29098.1438 without restraints) Performing minimization step: 383. Total energy = 29059.9476 kcal/mol (29050.6612 without restraints) Performing minimization step: 384. Total energy = 29012.6871 kcal/mol (29003.4302 without restraints) Performing minimization step: 385. Total energy = 28965.6763 kcal/mol (28956.4488 without restraints) Performing minimization step: 386. Total energy = 28918.9114 kcal/mol (28909.7128 without restraints) Performing minimization step: 387. Total energy = 28872.3907 kcal/mol (28863.2207 without restraints) Performing minimization step: 388. Total energy = 28826.1105 kcal/mol (28816.9689 without restraints) Performing minimization step: 389. Total energy = 28780.0689 kcal/mol (28770.9552 without restraints) Performing minimization step: 390. Total energy = 28734.2629 kcal/mol (28725.1769 without restraints) Performing minimization step: 391. Total energy = 28688.6898 kcal/mol (28679.6311 without restraints) Performing minimization step: 392. Total energy = 28643.3468 kcal/mol (28634.3151 without restraints) Performing minimization step: 393. Total energy = 28598.2315 kcal/mol (28589.2266 without restraints) Performing minimization step: 394. Total energy = 28553.3411 kcal/mol (28544.3626 without restraints) Performing minimization step: 395. Total energy = 28508.6737 kcal/mol (28499.7213 without restraints) Performing minimization step: 396. Total energy = 28464.2262 kcal/mol (28455.2997 without restraints) Performing minimization step: 397. Total energy = 28419.9963 kcal/mol (28411.0954 without restraints) Performing minimization step: 398. Total energy = 28375.9816 kcal/mol (28367.1060 without restraints) Performing minimization step: 399. Total energy = 28332.1800 kcal/mol (28323.3294 without restraints) Performing minimization step: 400. Total energy = 28288.5885 kcal/mol (28279.7626 without restraints) Writing PDB file: /home/ubuntu/rna-tools/rna_tools/tools/webserver-engine/media/jobs/4d7f5969/tmp/C8MA2_refx/C8MA2_refx.pdb ...Done. Performing minimization step: 401. Total energy = 28245.2058 kcal/mol (28236.4043 without restraints) Performing minimization step: 402. Total energy = 28202.0289 kcal/mol (28193.2518 without restraints) Performing minimization step: 403. Total energy = 28159.0560 kcal/mol (28150.3027 without restraints) Performing minimization step: 404. Total energy = 28116.2844 kcal/mol (28107.5549 without restraints) Performing minimization step: 405. Total energy = 28073.7119 kcal/mol (28065.0058 without restraints) Performing minimization step: 406. Total energy = 28031.3370 kcal/mol (28022.6540 without restraints) Performing minimization step: 407. Total energy = 27989.1574 kcal/mol (27980.4974 without restraints) Performing minimization step: 408. Total energy = 27947.1711 kcal/mol (27938.5336 without restraints) Performing minimization step: 409. Total energy = 27905.3759 kcal/mol (27896.7611 without restraints) Performing minimization step: 410. Total energy = 27863.7701 kcal/mol (27855.1775 without restraints) Performing minimization step: 411. Total energy = 27822.3519 kcal/mol (27813.7814 without restraints) Performing minimization step: 412. Total energy = 27781.1188 kcal/mol (27772.5699 without restraints) Performing minimization step: 413. Total energy = 27740.0690 kcal/mol (27731.5417 without restraints) Performing minimization step: 414. Total energy = 27699.2000 kcal/mol (27690.6940 without restraints) Performing minimization step: 415. Total energy = 27658.5108 kcal/mol (27650.0259 without restraints) Performing minimization step: 416. Total energy = 27617.9989 kcal/mol (27609.5349 without restraints) Performing minimization step: 417. Total energy = 27577.6630 kcal/mol (27569.2197 without restraints) Performing minimization step: 418. Total energy = 27537.5015 kcal/mol (27529.0788 without restraints) Performing minimization step: 419. Total energy = 27497.5134 kcal/mol (27489.1110 without restraints) Performing minimization step: 420. Total energy = 27457.6949 kcal/mol (27449.3124 without restraints) Performing minimization step: 421. Total energy = 27418.0463 kcal/mol (27409.6837 without restraints) Performing minimization step: 422. Total energy = 27378.5636 kcal/mol (27370.2206 without restraints) Performing minimization step: 423. Total energy = 27339.2464 kcal/mol (27330.9230 without restraints) Performing minimization step: 424. Total energy = 27300.0934 kcal/mol (27291.7891 without restraints) Performing minimization step: 425. Total energy = 27261.1024 kcal/mol (27252.8172 without restraints) Performing minimization step: 426. Total energy = 27222.2723 kcal/mol (27214.0060 without restraints) Performing minimization step: 427. Total energy = 27183.6014 kcal/mol (27175.3539 without restraints) Performing minimization step: 428. Total energy = 27145.0882 kcal/mol (27136.8592 without restraints) Performing minimization step: 429. Total energy = 27106.7314 kcal/mol (27098.5207 without restraints) Performing minimization step: 430. Total energy = 27068.5286 kcal/mol (27060.3361 without restraints) Performing minimization step: 431. Total energy = 27030.4791 kcal/mol (27022.3045 without restraints) Performing minimization step: 432. Total energy = 26992.5812 kcal/mol (26984.4245 without restraints) Performing minimization step: 433. Total energy = 26954.8335 kcal/mol (26946.6945 without restraints) Performing minimization step: 434. Total energy = 26917.2346 kcal/mol (26909.1132 without restraints) Performing minimization step: 435. Total energy = 26879.7835 kcal/mol (26871.6793 without restraints) Performing minimization step: 436. Total energy = 26842.4783 kcal/mol (26834.3913 without restraints) Performing minimization step: 437. Total energy = 26805.3178 kcal/mol (26797.2479 without restraints) Performing minimization step: 438. Total energy = 26768.3007 kcal/mol (26760.2477 without restraints) Performing minimization step: 439. Total energy = 26731.4258 kcal/mol (26723.3895 without restraints) Performing minimization step: 440. Total energy = 26694.6916 kcal/mol (26686.6718 without restraints) Performing minimization step: 441. Total energy = 26658.0966 kcal/mol (26650.0933 without restraints) Performing minimization step: 442. Total energy = 26621.6403 kcal/mol (26613.6532 without restraints) Performing minimization step: 443. Total energy = 26585.3207 kcal/mol (26577.3496 without restraints) Performing minimization step: 444. Total energy = 26549.1372 kcal/mol (26541.1823 without restraints) Performing minimization step: 445. Total energy = 26513.0881 kcal/mol (26505.1490 without restraints) Performing minimization step: 446. Total energy = 26477.1730 kcal/mol (26469.2497 without restraints) Performing minimization step: 447. Total energy = 26441.3893 kcal/mol (26433.4815 without restraints) Performing minimization step: 448. Total energy = 26405.7368 kcal/mol (26397.8444 without restraints) Performing minimization step: 449. Total energy = 26370.2146 kcal/mol (26362.3376 without restraints) Performing minimization step: 450. Total energy = 26334.8209 kcal/mol (26326.9589 without restraints) Performing minimization step: 451. Total energy = 26299.5548 kcal/mol (26291.7078 without restraints) Performing minimization step: 452. Total energy = 26264.4149 kcal/mol (26256.5827 without restraints) Performing minimization step: 453. Total energy = 26229.4011 kcal/mol (26221.5841 without restraints) Performing minimization step: 454. Total energy = 26194.5115 kcal/mol (26186.7088 without restraints) Performing minimization step: 455. Total energy = 26159.7453 kcal/mol (26151.9572 without restraints) Performing minimization step: 456. Total energy = 26125.1019 kcal/mol (26117.3282 without restraints) Performing minimization step: 457. Total energy = 26090.5792 kcal/mol (26082.8198 without restraints) Performing minimization step: 458. Total energy = 26056.1769 kcal/mol (26048.4317 without restraints) Performing minimization step: 459. Total energy = 26021.8943 kcal/mol (26014.1632 without restraints) Performing minimization step: 460. Total energy = 25987.7299 kcal/mol (25980.0127 without restraints) Performing minimization step: 461. Total energy = 25953.6832 kcal/mol (25945.9800 without restraints) Performing minimization step: 462. Total energy = 25919.7527 kcal/mol (25912.0630 without restraints) Performing minimization step: 463. Total energy = 25885.9375 kcal/mol (25878.2614 without restraints) Performing minimization step: 464. Total energy = 25852.2372 kcal/mol (25844.5746 without restraints) Performing minimization step: 465. Total energy = 25818.6505 kcal/mol (25811.0015 without restraints) Performing minimization step: 466. Total energy = 25785.1773 kcal/mol (25777.5415 without restraints) Performing minimization step: 467. Total energy = 25751.8157 kcal/mol (25744.1931 without restraints) Performing minimization step: 468. Total energy = 25718.5651 kcal/mol (25710.9556 without restraints) Performing minimization step: 469. Total energy = 25685.4244 kcal/mol (25677.8279 without restraints) Performing minimization step: 470. Total energy = 25652.3934 kcal/mol (25644.8098 without restraints) Performing minimization step: 471. Total energy = 25619.4710 kcal/mol (25611.9001 without restraints) Performing minimization step: 472. Total energy = 25586.6564 kcal/mol (25579.0982 without restraints) Performing minimization step: 473. Total energy = 25553.9487 kcal/mol (25546.4031 without restraints) Performing minimization step: 474. Total energy = 25521.3468 kcal/mol (25513.8137 without restraints) Performing minimization step: 475. Total energy = 25488.8503 kcal/mol (25481.3297 without restraints) Performing minimization step: 476. Total energy = 25456.4586 kcal/mol (25448.9505 without restraints) Performing minimization step: 477. Total energy = 25424.1702 kcal/mol (25416.6741 without restraints) Performing minimization step: 478. Total energy = 25391.9848 kcal/mol (25384.5010 without restraints) Performing minimization step: 479. Total energy = 25359.9016 kcal/mol (25352.4298 without restraints) Performing minimization step: 480. Total energy = 25327.9195 kcal/mol (25320.4595 without restraints) Performing minimization step: 481. Total energy = 25296.0385 kcal/mol (25288.5906 without restraints) Performing minimization step: 482. Total energy = 25264.2576 kcal/mol (25256.8214 without restraints) Performing minimization step: 483. Total energy = 25232.5764 kcal/mol (25225.1519 without restraints) Performing minimization step: 484. Total energy = 25200.9935 kcal/mol (25193.5806 without restraints) Performing minimization step: 485. Total energy = 25169.5080 kcal/mol (25162.1066 without restraints) Performing minimization step: 486. Total energy = 25138.1201 kcal/mol (25130.7302 without restraints) Performing minimization step: 487. Total energy = 25106.8286 kcal/mol (25099.4501 without restraints) Performing minimization step: 488. Total energy = 25075.6331 kcal/mol (25068.2659 without restraints) Performing minimization step: 489. Total energy = 25044.5327 kcal/mol (25037.1767 without restraints) Performing minimization step: 490. Total energy = 25013.5271 kcal/mol (25006.1824 without restraints) Performing minimization step: 491. Total energy = 24982.6154 kcal/mol (24975.2817 without restraints) Performing minimization step: 492. Total energy = 24951.7968 kcal/mol (24944.4743 without restraints) Performing minimization step: 493. Total energy = 24921.0712 kcal/mol (24913.7594 without restraints) Performing minimization step: 494. Total energy = 24890.4374 kcal/mol (24883.1365 without restraints) Performing minimization step: 495. Total energy = 24859.8941 kcal/mol (24852.6039 without restraints) Performing minimization step: 496. Total energy = 24829.4422 kcal/mol (24822.1628 without restraints) Performing minimization step: 497. Total energy = 24799.0808 kcal/mol (24791.8121 without restraints) Performing minimization step: 498. Total energy = 24768.8087 kcal/mol (24761.5506 without restraints) Performing minimization step: 499. Total energy = 24738.6258 kcal/mol (24731.3781 without restraints) Performing minimization step: 500. Total energy = 24708.5311 kcal/mol (24701.2940 without restraints) Writing PDB file: /home/ubuntu/rna-tools/rna_tools/tools/webserver-engine/media/jobs/4d7f5969/tmp/C8MA2_refx/C8MA2_refx.pdb ...Done. Performing minimization step: 501. Total energy = 24678.5246 kcal/mol (24671.2979 without restraints) Performing minimization step: 502. Total energy = 24648.6057 kcal/mol (24641.3892 without restraints) Performing minimization step: 503. Total energy = 24618.7736 kcal/mol (24611.5674 without restraints) Performing minimization step: 504. Total energy = 24589.0279 kcal/mol (24581.8318 without restraints) Performing minimization step: 505. Total energy = 24559.3674 kcal/mol (24552.1815 without restraints) Performing minimization step: 506. Total energy = 24529.7923 kcal/mol (24522.6165 without restraints) Performing minimization step: 507. Total energy = 24500.3021 kcal/mol (24493.1363 without restraints) Performing minimization step: 508. Total energy = 24470.8960 kcal/mol (24463.7401 without restraints) Performing minimization step: 509. Total energy = 24441.5734 kcal/mol (24434.4273 without restraints) Performing minimization step: 510. Total energy = 24412.3334 kcal/mol (24405.1972 without restraints) Performing minimization step: 511. Total energy = 24383.1767 kcal/mol (24376.0503 without restraints) Performing minimization step: 512. Total energy = 24354.1019 kcal/mol (24346.9852 without restraints) Performing minimization step: 513. Total energy = 24325.1088 kcal/mol (24318.0017 without restraints) Performing minimization step: 514. Total energy = 24296.1966 kcal/mol (24289.0992 without restraints) Performing minimization step: 515. Total energy = 24267.3653 kcal/mol (24260.2774 without restraints) Performing minimization step: 516. Total energy = 24238.6139 kcal/mol (24231.5355 without restraints) Performing minimization step: 517. Total energy = 24209.9429 kcal/mol (24202.8738 without restraints) Performing minimization step: 518. Total energy = 24181.3509 kcal/mol (24174.2912 without restraints) Performing minimization step: 519. Total energy = 24152.8376 kcal/mol (24145.7873 without restraints) Performing minimization step: 520. Total energy = 24124.4032 kcal/mol (24117.3621 without restraints) Performing minimization step: 521. Total energy = 24096.0463 kcal/mol (24089.0144 without restraints) Performing minimization step: 522. Total energy = 24067.7668 kcal/mol (24060.7441 without restraints) Performing minimization step: 523. Total energy = 24039.5647 kcal/mol (24032.5511 without restraints) Performing minimization step: 524. Total energy = 24011.4390 kcal/mol (24004.4345 without restraints) Performing minimization step: 525. Total energy = 23983.3892 kcal/mol (23976.3937 without restraints) Performing minimization step: 526. Total energy = 23955.4153 kcal/mol (23948.4287 without restraints) Performing minimization step: 527. Total energy = 23927.5168 kcal/mol (23920.5391 without restraints) Performing minimization step: 528. Total energy = 23899.6932 kcal/mol (23892.7244 without restraints) Performing minimization step: 529. Total energy = 23871.9441 kcal/mol (23864.9843 without restraints) Performing minimization step: 530. Total energy = 23844.2699 kcal/mol (23837.3188 without restraints) Performing minimization step: 531. Total energy = 23816.6688 kcal/mol (23809.7264 without restraints) Performing minimization step: 532. Total energy = 23789.1413 kcal/mol (23782.2077 without restraints) Performing minimization step: 533. Total energy = 23761.6869 kcal/mol (23754.7618 without restraints) Performing minimization step: 534. Total energy = 23734.3046 kcal/mol (23727.3881 without restraints) Performing minimization step: 535. Total energy = 23706.9948 kcal/mol (23700.0869 without restraints) Performing minimization step: 536. Total energy = 23679.7569 kcal/mol (23672.8575 without restraints) Performing minimization step: 537. Total energy = 23652.5902 kcal/mol (23645.6992 without restraints) Performing minimization step: 538. Total energy = 23625.4946 kcal/mol (23618.6120 without restraints) Performing minimization step: 539. Total energy = 23598.4702 kcal/mol (23591.5961 without restraints) Performing minimization step: 540. Total energy = 23571.5165 kcal/mol (23564.6507 without restraints) Performing minimization step: 541. Total energy = 23544.6319 kcal/mol (23537.7744 without restraints) Performing minimization step: 542. Total energy = 23517.8175 kcal/mol (23510.9683 without restraints) Performing minimization step: 543. Total energy = 23491.0722 kcal/mol (23484.2310 without restraints) Performing minimization step: 544. Total energy = 23464.3957 kcal/mol (23457.5630 without restraints) Performing minimization step: 545. Total energy = 23437.7884 kcal/mol (23430.9637 without restraints) Performing minimization step: 546. Total energy = 23411.2486 kcal/mol (23404.4319 without restraints) Performing minimization step: 547. Total energy = 23384.7771 kcal/mol (23377.9685 without restraints) Performing minimization step: 548. Total energy = 23358.3731 kcal/mol (23351.5723 without restraints) Performing minimization step: 549. Total energy = 23332.0362 kcal/mol (23325.2436 without restraints) Performing minimization step: 550. Total energy = 23305.7668 kcal/mol (23298.9821 without restraints) Performing minimization step: 551. Total energy = 23279.5633 kcal/mol (23272.7863 without restraints) Performing minimization step: 552. Total energy = 23253.4266 kcal/mol (23246.6577 without restraints) Performing minimization step: 553. Total energy = 23227.3563 kcal/mol (23220.5952 without restraints) Performing minimization step: 554. Total energy = 23201.3510 kcal/mol (23194.5976 without restraints) Performing minimization step: 555. Total energy = 23175.4110 kcal/mol (23168.6650 without restraints) Performing minimization step: 556. Total energy = 23149.5367 kcal/mol (23142.7989 without restraints) Performing minimization step: 557. Total energy = 23123.7270 kcal/mol (23116.9968 without restraints) Performing minimization step: 558. Total energy = 23097.9825 kcal/mol (23091.2601 without restraints) Performing minimization step: 559. Total energy = 23072.3022 kcal/mol (23065.5873 without restraints) Performing minimization step: 560. Total energy = 23046.6857 kcal/mol (23039.9784 without restraints) Performing minimization step: 561. Total energy = 23021.1323 kcal/mol (23014.4326 without restraints) Performing minimization step: 562. Total energy = 22995.6425 kcal/mol (22988.9503 without restraints) Performing minimization step: 563. Total energy = 22970.2156 kcal/mol (22963.5308 without restraints) Performing minimization step: 564. Total energy = 22944.8510 kcal/mol (22938.1735 without restraints) Performing minimization step: 565. Total energy = 22919.5494 kcal/mol (22912.8795 without restraints) Performing minimization step: 566. Total energy = 22894.3099 kcal/mol (22887.6474 without restraints) Performing minimization step: 567. Total energy = 22869.1329 kcal/mol (22862.4778 without restraints) Performing minimization step: 568. Total energy = 22844.0170 kcal/mol (22837.3692 without restraints) Performing minimization step: 569. Total energy = 22818.9630 kcal/mol (22812.3225 without restraints) Performing minimization step: 570. Total energy = 22793.9700 kcal/mol (22787.3367 without restraints) Performing minimization step: 571. Total energy = 22769.0375 kcal/mol (22762.4114 without restraints) Performing minimization step: 572. Total energy = 22744.1657 kcal/mol (22737.5468 without restraints) Performing minimization step: 573. Total energy = 22719.3548 kcal/mol (22712.7430 without restraints) Performing minimization step: 574. Total energy = 22694.6037 kcal/mol (22687.9992 without restraints) Performing minimization step: 575. Total energy = 22669.9122 kcal/mol (22663.3146 without restraints) Performing minimization step: 576. Total energy = 22645.2807 kcal/mol (22638.6905 without restraints) Performing minimization step: 577. Total energy = 22620.7085 kcal/mol (22614.1253 without restraints) Performing minimization step: 578. Total energy = 22596.1955 kcal/mol (22589.6193 without restraints) Performing minimization step: 579. Total energy = 22571.7412 kcal/mol (22565.1720 without restraints) Performing minimization step: 580. Total energy = 22547.3460 kcal/mol (22540.7840 without restraints) Performing minimization step: 581. Total energy = 22523.0093 kcal/mol (22516.4541 without restraints) Performing minimization step: 582. Total energy = 22498.7302 kcal/mol (22492.1818 without restraints) Performing minimization step: 583. Total energy = 22474.5087 kcal/mol (22467.9672 without restraints) Performing minimization step: 584. Total energy = 22450.3453 kcal/mol (22443.8106 without restraints) Performing minimization step: 585. Total energy = 22426.2389 kcal/mol (22419.7110 without restraints) Performing minimization step: 586. Total energy = 22402.1896 kcal/mol (22395.6686 without restraints) Performing minimization step: 587. Total energy = 22378.1977 kcal/mol (22371.6835 without restraints) Performing minimization step: 588. Total energy = 22354.2630 kcal/mol (22347.7555 without restraints) Performing minimization step: 589. Total energy = 22330.3841 kcal/mol (22323.8833 without restraints) Performing minimization step: 590. Total energy = 22306.5615 kcal/mol (22300.0674 without restraints) Performing minimization step: 591. Total energy = 22282.7951 kcal/mol (22276.3077 without restraints) Performing minimization step: 592. Total energy = 22259.0844 kcal/mol (22252.6036 without restraints) Performing minimization step: 593. Total energy = 22235.4299 kcal/mol (22228.9556 without restraints) Performing minimization step: 594. Total energy = 22211.8303 kcal/mol (22205.3627 without restraints) Performing minimization step: 595. Total energy = 22188.2860 kcal/mol (22181.8250 without restraints) Performing minimization step: 596. Total energy = 22164.7972 kcal/mol (22158.3428 without restraints) Performing minimization step: 597. Total energy = 22141.3628 kcal/mol (22134.9149 without restraints) Performing minimization step: 598. Total energy = 22117.9829 kcal/mol (22111.5414 without restraints) Performing minimization step: 599. Total energy = 22094.6577 kcal/mol (22088.2226 without restraints) Performing minimization step: 600. Total energy = 22071.3856 kcal/mol (22064.9571 without restraints) Writing PDB file: /home/ubuntu/rna-tools/rna_tools/tools/webserver-engine/media/jobs/4d7f5969/tmp/C8MA2_refx/C8MA2_refx.pdb ...Done. Performing minimization step: 601. Total energy = 22048.1679 kcal/mol (22041.7458 without restraints) Performing minimization step: 602. Total energy = 22025.0043 kcal/mol (22018.5886 without restraints) Performing minimization step: 603. Total energy = 22001.8941 kcal/mol (21995.4848 without restraints) Performing minimization step: 604. Total energy = 21978.8373 kcal/mol (21972.4344 without restraints) Performing minimization step: 605. Total energy = 21955.8338 kcal/mol (21949.4371 without restraints) Performing minimization step: 606. Total energy = 21932.8829 kcal/mol (21926.4926 without restraints) Performing minimization step: 607. Total energy = 21909.9851 kcal/mol (21903.6011 without restraints) Performing minimization step: 608. Total energy = 21887.1399 kcal/mol (21880.7622 without restraints) Performing minimization step: 609. Total energy = 21864.3472 kcal/mol (21857.9756 without restraints) Performing minimization step: 610. Total energy = 21841.6061 kcal/mol (21835.2408 without restraints) Performing minimization step: 611. Total energy = 21818.9174 kcal/mol (21812.5585 without restraints) Performing minimization step: 612. Total energy = 21796.2808 kcal/mol (21789.9277 without restraints) Performing minimization step: 613. Total energy = 21773.6954 kcal/mol (21767.3486 without restraints) Performing minimization step: 614. Total energy = 21751.1615 kcal/mol (21744.8208 without restraints) Performing minimization step: 615. Total energy = 21728.6790 kcal/mol (21722.3445 without restraints) Performing minimization step: 616. Total energy = 21706.2474 kcal/mol (21699.9189 without restraints) Performing minimization step: 617. Total energy = 21683.8666 kcal/mol (21677.5444 without restraints) Performing minimization step: 618. Total energy = 21661.5373 kcal/mol (21655.2212 without restraints) Performing minimization step: 619. Total energy = 21639.2580 kcal/mol (21632.9478 without restraints) Performing minimization step: 620. Total energy = 21617.0294 kcal/mol (21610.7252 without restraints) Performing minimization step: 621. Total energy = 21594.8504 kcal/mol (21588.5521 without restraints) Performing minimization step: 622. Total energy = 21572.7217 kcal/mol (21566.4295 without restraints) Performing minimization step: 623. Total energy = 21550.6426 kcal/mol (21544.3563 without restraints) Performing minimization step: 624. Total energy = 21528.6131 kcal/mol (21522.3325 without restraints) Performing minimization step: 625. Total energy = 21506.6332 kcal/mol (21500.3587 without restraints) Performing minimization step: 626. Total energy = 21484.7024 kcal/mol (21478.4338 without restraints) Performing minimization step: 627. Total energy = 21462.8210 kcal/mol (21456.5583 without restraints) Performing minimization step: 628. Total energy = 21440.9886 kcal/mol (21434.7317 without restraints) Performing minimization step: 629. Total energy = 21419.2052 kcal/mol (21412.9542 without restraints) Performing minimization step: 630. Total energy = 21397.4701 kcal/mol (21391.2249 without restraints) Performing minimization step: 631. Total energy = 21375.7835 kcal/mol (21369.5441 without restraints) Performing minimization step: 632. Total energy = 21354.1454 kcal/mol (21347.9117 without restraints) Performing minimization step: 633. Total energy = 21332.5556 kcal/mol (21326.3277 without restraints) Performing minimization step: 634. Total energy = 21311.0137 kcal/mol (21304.7917 without restraints) Performing minimization step: 635. Total energy = 21289.5198 kcal/mol (21283.3032 without restraints) Performing minimization step: 636. Total energy = 21268.0732 kcal/mol (21261.8625 without restraints) Performing minimization step: 637. Total energy = 21246.6740 kcal/mol (21240.4690 without restraints) Performing minimization step: 638. Total energy = 21225.3224 kcal/mol (21219.1231 without restraints) Performing minimization step: 639. Total energy = 21204.0184 kcal/mol (21197.8247 without restraints) Performing minimization step: 640. Total energy = 21182.7612 kcal/mol (21176.5731 without restraints) Performing minimization step: 641. Total energy = 21161.5506 kcal/mol (21155.3680 without restraints) Performing minimization step: 642. Total energy = 21140.3870 kcal/mol (21134.2101 without restraints) Performing minimization step: 643. Total energy = 21119.2698 kcal/mol (21113.0985 without restraints) Performing minimization step: 644. Total energy = 21098.1991 kcal/mol (21092.0333 without restraints) Performing minimization step: 645. Total energy = 21077.1748 kcal/mol (21071.0146 without restraints) Performing minimization step: 646. Total energy = 21056.1971 kcal/mol (21050.0424 without restraints) Performing minimization step: 647. Total energy = 21035.2653 kcal/mol (21029.1162 without restraints) Performing minimization step: 648. Total energy = 21014.3791 kcal/mol (21008.2353 without restraints) Performing minimization step: 649. Total energy = 20993.5387 kcal/mol (20987.4004 without restraints) Performing minimization step: 650. Total energy = 20972.7433 kcal/mol (20966.6107 without restraints) Performing minimization step: 651. Total energy = 20951.9936 kcal/mol (20945.8663 without restraints) Performing minimization step: 652. Total energy = 20931.2885 kcal/mol (20925.1665 without restraints) Performing minimization step: 653. Total energy = 20910.6289 kcal/mol (20904.5124 without restraints) Performing minimization step: 654. Total energy = 20890.0139 kcal/mol (20883.9028 without restraints) Performing minimization step: 655. Total energy = 20869.4439 kcal/mol (20863.3381 without restraints) Performing minimization step: 656. Total energy = 20848.9189 kcal/mol (20842.8186 without restraints) Performing minimization step: 657. Total energy = 20828.4387 kcal/mol (20822.3435 without restraints) Performing minimization step: 658. Total energy = 20808.0026 kcal/mol (20801.9128 without restraints) Performing minimization step: 659. Total energy = 20787.6107 kcal/mol (20781.5263 without restraints) Performing minimization step: 660. Total energy = 20767.2632 kcal/mol (20761.1841 without restraints) Performing minimization step: 661. Total energy = 20746.9594 kcal/mol (20740.8855 without restraints) Performing minimization step: 662. Total energy = 20726.6993 kcal/mol (20720.6307 without restraints) Performing minimization step: 663. Total energy = 20706.4833 kcal/mol (20700.4200 without restraints) Performing minimization step: 664. Total energy = 20686.3107 kcal/mol (20680.2526 without restraints) Performing minimization step: 665. Total energy = 20666.1815 kcal/mol (20660.1285 without restraints) Performing minimization step: 666. Total energy = 20646.0957 kcal/mol (20640.0480 without restraints) Performing minimization step: 667. Total energy = 20626.0531 kcal/mol (20620.0106 without restraints) Performing minimization step: 668. Total energy = 20606.0530 kcal/mol (20600.0155 without restraints) Performing minimization step: 669. Total energy = 20586.0963 kcal/mol (20580.0642 without restraints) Performing minimization step: 670. Total energy = 20566.1825 kcal/mol (20560.1554 without restraints) Performing minimization step: 671. Total energy = 20546.3112 kcal/mol (20540.2893 without restraints) Performing minimization step: 672. Total energy = 20526.4823 kcal/mol (20520.4655 without restraints) Performing minimization step: 673. Total energy = 20506.6963 kcal/mol (20500.6846 without restraints) Performing minimization step: 674. Total energy = 20486.9523 kcal/mol (20480.9456 without restraints) Performing minimization step: 675. Total energy = 20467.2507 kcal/mol (20461.2491 without restraints) Performing minimization step: 676. Total energy = 20447.5911 kcal/mol (20441.5946 without restraints) Performing minimization step: 677. Total energy = 20427.9732 kcal/mol (20421.9817 without restraints) Performing minimization step: 678. Total energy = 20408.3970 kcal/mol (20402.4105 without restraints) Performing minimization step: 679. Total energy = 20388.8620 kcal/mol (20382.8806 without restraints) Performing minimization step: 680. Total energy = 20369.3692 kcal/mol (20363.3928 without restraints) Performing minimization step: 681. Total energy = 20349.9172 kcal/mol (20343.9457 without restraints) Performing minimization step: 682. Total energy = 20330.5067 kcal/mol (20324.5402 without restraints) Performing minimization step: 683. Total energy = 20311.1371 kcal/mol (20305.1755 without restraints) Performing minimization step: 684. Total energy = 20291.8083 kcal/mol (20285.8518 without restraints) Performing minimization step: 685. Total energy = 20272.5209 kcal/mol (20266.5693 without restraints) Performing minimization step: 686. Total energy = 20253.2746 kcal/mol (20247.3278 without restraints) Performing minimization step: 687. Total energy = 20234.0686 kcal/mol (20228.1266 without restraints) Performing minimization step: 688. Total energy = 20214.9028 kcal/mol (20208.9657 without restraints) Performing minimization step: 689. Total energy = 20195.7768 kcal/mol (20189.8445 without restraints) Performing minimization step: 690. Total energy = 20176.6917 kcal/mol (20170.7644 without restraints) Performing minimization step: 691. Total energy = 20157.6468 kcal/mol (20151.7243 without restraints) Performing minimization step: 692. Total energy = 20138.6418 kcal/mol (20132.7242 without restraints) Performing minimization step: 693. Total energy = 20119.6769 kcal/mol (20113.7642 without restraints) Performing minimization step: 694. Total energy = 20100.7519 kcal/mol (20094.8439 without restraints) Performing minimization step: 695. Total energy = 20081.8662 kcal/mol (20075.9631 without restraints) Performing minimization step: 696. Total energy = 20063.0203 kcal/mol (20057.1218 without restraints) Performing minimization step: 697. Total energy = 20044.2136 kcal/mol (20038.3199 without restraints) Performing minimization step: 698. Total energy = 20025.4467 kcal/mol (20019.5577 without restraints) Performing minimization step: 699. Total energy = 20006.7187 kcal/mol (20000.8344 without restraints) Performing minimization step: 700. Total energy = 19988.0302 kcal/mol (19982.1504 without restraints) Writing PDB file: /home/ubuntu/rna-tools/rna_tools/tools/webserver-engine/media/jobs/4d7f5969/tmp/C8MA2_refx/C8MA2_refx.pdb ...Done. Performing minimization step: 701. Total energy = 19969.3804 kcal/mol (19963.5056 without restraints) Performing minimization step: 702. Total energy = 19950.7691 kcal/mol (19944.8990 without restraints) Performing minimization step: 703. Total energy = 19932.1968 kcal/mol (19926.3314 without restraints) Performing minimization step: 704. Total energy = 19913.6627 kcal/mol (19907.8019 without restraints) Performing minimization step: 705. Total energy = 19895.1675 kcal/mol (19889.3112 without restraints) Performing minimization step: 706. Total energy = 19876.7104 kcal/mol (19870.8589 without restraints) Performing minimization step: 707. Total energy = 19858.2927 kcal/mol (19852.4458 without restraints) Performing minimization step: 708. Total energy = 19839.9125 kcal/mol (19834.0703 without restraints) Performing minimization step: 709. Total energy = 19821.5708 kcal/mol (19815.7331 without restraints) Performing minimization step: 710. Total energy = 19803.2670 kcal/mol (19797.4340 without restraints) Performing minimization step: 711. Total energy = 19785.0007 kcal/mol (19779.1722 without restraints) Performing minimization step: 712. Total energy = 19766.7725 kcal/mol (19760.9488 without restraints) Performing minimization step: 713. Total energy = 19748.5818 kcal/mol (19742.7625 without restraints) Performing minimization step: 714. Total energy = 19730.4280 kcal/mol (19724.6132 without restraints) Performing minimization step: 715. Total energy = 19712.3122 kcal/mol (19706.5020 without restraints) Performing minimization step: 716. Total energy = 19694.2338 kcal/mol (19688.4281 without restraints) Performing minimization step: 717. Total energy = 19676.1924 kcal/mol (19670.3913 without restraints) Performing minimization step: 718. Total energy = 19658.1883 kcal/mol (19652.3916 without restraints) Performing minimization step: 719. Total energy = 19640.2214 kcal/mol (19634.4292 without restraints) Performing minimization step: 720. Total energy = 19622.2908 kcal/mol (19616.5030 without restraints) Performing minimization step: 721. Total energy = 19604.3973 kcal/mol (19598.6141 without restraints) Performing minimization step: 722. Total energy = 19586.5401 kcal/mol (19580.7612 without restraints) Performing minimization step: 723. Total energy = 19568.7197 kcal/mol (19562.9453 without restraints) Performing minimization step: 724. Total energy = 19550.9363 kcal/mol (19545.1662 without restraints) Performing minimization step: 725. Total energy = 19533.1886 kcal/mol (19527.4230 without restraints) Performing minimization step: 726. Total energy = 19515.4775 kcal/mol (19509.7163 without restraints) Performing minimization step: 727. Total energy = 19497.8028 kcal/mol (19492.0459 without restraints) Performing minimization step: 728. Total energy = 19480.1631 kcal/mol (19474.4106 without restraints) Performing minimization step: 729. Total energy = 19462.5602 kcal/mol (19456.8121 without restraints) Performing minimization step: 730. Total energy = 19444.9930 kcal/mol (19439.2492 without restraints) Performing minimization step: 731. Total energy = 19427.4615 kcal/mol (19421.7221 without restraints) Performing minimization step: 732. Total energy = 19409.9655 kcal/mol (19404.2304 without restraints) Performing minimization step: 733. Total energy = 19392.5051 kcal/mol (19386.7743 without restraints) Performing minimization step: 734. Total energy = 19375.0802 kcal/mol (19369.3537 without restraints) Performing minimization step: 735. Total energy = 19357.6910 kcal/mol (19351.9690 without restraints) Performing minimization step: 736. Total energy = 19340.3370 kcal/mol (19334.6194 without restraints) Performing minimization step: 737. Total energy = 19323.0184 kcal/mol (19317.3048 without restraints) Performing minimization step: 738. Total energy = 19305.7343 kcal/mol (19300.0250 without restraints) Performing minimization step: 739. Total energy = 19288.4849 kcal/mol (19282.7800 without restraints) Performing minimization step: 740. Total energy = 19271.2710 kcal/mol (19265.5703 without restraints) Performing minimization step: 741. Total energy = 19254.0916 kcal/mol (19248.3949 without restraints) Performing minimization step: 742. Total energy = 19236.9471 kcal/mol (19231.2547 without restraints) Performing minimization step: 743. Total energy = 19219.8369 kcal/mol (19214.1487 without restraints) Performing minimization step: 744. Total energy = 19202.7608 kcal/mol (19197.0764 without restraints) Performing minimization step: 745. Total energy = 19185.7194 kcal/mol (19180.0396 without restraints) Performing minimization step: 746. Total energy = 19168.7121 kcal/mol (19163.0364 without restraints) Performing minimization step: 747. Total energy = 19151.7394 kcal/mol (19146.0679 without restraints) Performing minimization step: 748. Total energy = 19134.8005 kcal/mol (19129.1334 without restraints) Performing minimization step: 749. Total energy = 19117.8957 kcal/mol (19112.2325 without restraints) Performing minimization step: 750. Total energy = 19101.0247 kcal/mol (19095.3657 without restraints) Performing minimization step: 751. Total energy = 19084.1870 kcal/mol (19078.5319 without restraints) Performing minimization step: 752. Total energy = 19067.3833 kcal/mol (19061.7324 without restraints) Performing minimization step: 753. Total energy = 19050.6132 kcal/mol (19044.9665 without restraints) Performing minimization step: 754. Total energy = 19033.8769 kcal/mol (19028.2342 without restraints) Performing minimization step: 755. Total energy = 19017.1736 kcal/mol (19011.5352 without restraints) Performing minimization step: 756. Total energy = 19000.5039 kcal/mol (18994.8693 without restraints) Performing minimization step: 757. Total energy = 18983.8672 kcal/mol (18978.2367 without restraints) Performing minimization step: 758. Total energy = 18967.2637 kcal/mol (18961.6372 without restraints) Performing minimization step: 759. Total energy = 18950.6932 kcal/mol (18945.0708 without restraints) Performing minimization step: 760. Total energy = 18934.1558 kcal/mol (18928.5374 without restraints) Performing minimization step: 761. Total energy = 18917.6513 kcal/mol (18912.0369 without restraints) Performing minimization step: 762. Total energy = 18901.1792 kcal/mol (18895.5689 without restraints) Performing minimization step: 763. Total energy = 18884.7399 kcal/mol (18879.1335 without restraints) Performing minimization step: 764. Total energy = 18868.3329 kcal/mol (18862.7305 without restraints) Performing minimization step: 765. Total energy = 18851.9586 kcal/mol (18846.3602 without restraints) Performing minimization step: 766. Total energy = 18835.6168 kcal/mol (18830.0224 without restraints) Performing minimization step: 767. Total energy = 18819.3076 kcal/mol (18813.7172 without restraints) Performing minimization step: 768. Total energy = 18803.0303 kcal/mol (18797.4438 without restraints) Performing minimization step: 769. Total energy = 18786.7852 kcal/mol (18781.2026 without restraints) Performing minimization step: 770. Total energy = 18770.5722 kcal/mol (18764.9934 without restraints) Performing minimization step: 771. Total energy = 18754.3906 kcal/mol (18748.8157 without restraints) Performing minimization step: 772. Total energy = 18738.2414 kcal/mol (18732.6705 without restraints) Performing minimization step: 773. Total energy = 18722.1236 kcal/mol (18716.5566 without restraints) Performing minimization step: 774. Total energy = 18706.0376 kcal/mol (18700.4744 without restraints) Performing minimization step: 775. Total energy = 18689.9828 kcal/mol (18684.4236 without restraints) Performing minimization step: 776. Total energy = 18673.9598 kcal/mol (18668.4044 without restraints) Performing minimization step: 777. Total energy = 18657.9681 kcal/mol (18652.4165 without restraints) Performing minimization step: 778. Total energy = 18642.0076 kcal/mol (18636.4599 without restraints) Performing minimization step: 779. Total energy = 18626.0785 kcal/mol (18620.5348 without restraints) Performing minimization step: 780. Total energy = 18610.1810 kcal/mol (18604.6412 without restraints) Performing minimization step: 781. Total energy = 18594.3141 kcal/mol (18588.7779 without restraints) Performing minimization step: 782. Total energy = 18578.4785 kcal/mol (18572.9460 without restraints) Performing minimization step: 783. Total energy = 18562.6734 kcal/mol (18557.1447 without restraints) Performing minimization step: 784. Total energy = 18546.8992 kcal/mol (18541.3744 without restraints) Performing minimization step: 785. Total energy = 18531.1554 kcal/mol (18525.6343 without restraints) Performing minimization step: 786. Total energy = 18515.4426 kcal/mol (18509.9253 without restraints) Performing minimization step: 787. Total energy = 18499.7601 kcal/mol (18494.2466 without restraints) Performing minimization step: 788. Total energy = 18484.1081 kcal/mol (18478.5983 without restraints) Performing minimization step: 789. Total energy = 18468.4864 kcal/mol (18462.9804 without restraints) Performing minimization step: 790. Total energy = 18452.8949 kcal/mol (18447.3927 without restraints) Performing minimization step: 791. Total energy = 18437.3336 kcal/mol (18431.8350 without restraints) Performing minimization step: 792. Total energy = 18421.8025 kcal/mol (18416.3076 without restraints) Performing minimization step: 793. Total energy = 18406.3012 kcal/mol (18400.8100 without restraints) Performing minimization step: 794. Total energy = 18390.8295 kcal/mol (18385.3420 without restraints) Performing minimization step: 795. Total energy = 18375.3880 kcal/mol (18369.9041 without restraints) Performing minimization step: 796. Total energy = 18359.9770 kcal/mol (18354.4968 without restraints) Performing minimization step: 797. Total energy = 18344.5950 kcal/mol (18339.1185 without restraints) Performing minimization step: 798. Total energy = 18329.2429 kcal/mol (18323.7701 without restraints) Performing minimization step: 799. Total energy = 18313.9207 kcal/mol (18308.4514 without restraints) Performing minimization step: 800. Total energy = 18298.6272 kcal/mol (18293.1615 without restraints) Writing PDB file: /home/ubuntu/rna-tools/rna_tools/tools/webserver-engine/media/jobs/4d7f5969/tmp/C8MA2_refx/C8MA2_refx.pdb ...Done. Performing minimization step: 801. Total energy = 18283.3629 kcal/mol (18277.9010 without restraints) Performing minimization step: 802. Total energy = 18268.1280 kcal/mol (18262.6695 without restraints) Performing minimization step: 803. Total energy = 18252.9224 kcal/mol (18247.4676 without restraints) Performing minimization step: 804. Total energy = 18237.7456 kcal/mol (18232.2944 without restraints) Performing minimization step: 805. Total energy = 18222.5982 kcal/mol (18217.1507 without restraints) Performing minimization step: 806. Total energy = 18207.4798 kcal/mol (18202.0358 without restraints) Performing minimization step: 807. Total energy = 18192.3898 kcal/mol (18186.9494 without restraints) Performing minimization step: 808. Total energy = 18177.3291 kcal/mol (18171.8924 without restraints) Performing minimization step: 809. Total energy = 18162.2971 kcal/mol (18156.8638 without restraints) Performing minimization step: 810. Total energy = 18147.2937 kcal/mol (18141.8639 without restraints) Performing minimization step: 811. Total energy = 18132.3186 kcal/mol (18126.8923 without restraints) Performing minimization step: 812. Total energy = 18117.3718 kcal/mol (18111.9490 without restraints) Performing minimization step: 813. Total energy = 18102.4537 kcal/mol (18097.0344 without restraints) Performing minimization step: 814. Total energy = 18087.5637 kcal/mol (18082.1480 without restraints) Performing minimization step: 815. Total energy = 18072.7019 kcal/mol (18067.2897 without restraints) Performing minimization step: 816. Total energy = 18057.8681 kcal/mol (18052.4594 without restraints) Performing minimization step: 817. Total energy = 18043.0627 kcal/mol (18037.6576 without restraints) Performing minimization step: 818. Total energy = 18028.2859 kcal/mol (18022.8842 without restraints) Performing minimization step: 819. Total energy = 18013.5364 kcal/mol (18008.1381 without restraints) Performing minimization step: 820. Total energy = 17998.8149 kcal/mol (17993.4201 without restraints) Performing minimization step: 821. Total energy = 17984.1210 kcal/mol (17978.7296 without restraints) Performing minimization step: 822. Total energy = 17969.4550 kcal/mol (17964.0671 without restraints) Performing minimization step: 823. Total energy = 17954.8166 kcal/mol (17949.4321 without restraints) Performing minimization step: 824. Total energy = 17940.2053 kcal/mol (17934.8245 without restraints) Performing minimization step: 825. Total energy = 17925.6218 kcal/mol (17920.2442 without restraints) Performing minimization step: 826. Total energy = 17911.0648 kcal/mol (17905.6905 without restraints) Performing minimization step: 827. Total energy = 17896.5357 kcal/mol (17891.1648 without restraints) Performing minimization step: 828. Total energy = 17882.0337 kcal/mol (17876.6662 without restraints) Performing minimization step: 829. Total energy = 17867.5590 kcal/mol (17862.1948 without restraints) Performing minimization step: 830. Total energy = 17853.1114 kcal/mol (17847.7507 without restraints) Performing minimization step: 831. Total energy = 17838.6904 kcal/mol (17833.3330 without restraints) Performing minimization step: 832. Total energy = 17824.2970 kcal/mol (17818.9429 without restraints) Performing minimization step: 833. Total energy = 17809.9299 kcal/mol (17804.5794 without restraints) Performing minimization step: 834. Total energy = 17795.5898 kcal/mol (17790.2424 without restraints) Performing minimization step: 835. Total energy = 17781.2762 kcal/mol (17775.9322 without restraints) Performing minimization step: 836. Total energy = 17766.9893 kcal/mol (17761.6486 without restraints) Performing minimization step: 837. Total energy = 17752.7292 kcal/mol (17747.3918 without restraints) Performing minimization step: 838. Total energy = 17738.4952 kcal/mol (17733.1611 without restraints) Performing minimization step: 839. Total energy = 17724.2877 kcal/mol (17718.9568 without restraints) Performing minimization step: 840. Total energy = 17710.1063 kcal/mol (17704.7788 without restraints) Performing minimization step: 841. Total energy = 17695.9512 kcal/mol (17690.6270 without restraints) Performing minimization step: 842. Total energy = 17681.8222 kcal/mol (17676.5012 without restraints) Performing minimization step: 843. Total energy = 17667.7193 kcal/mol (17662.4016 without restraints) Performing minimization step: 844. Total energy = 17653.6428 kcal/mol (17648.3285 without restraints) Performing minimization step: 845. Total energy = 17639.5921 kcal/mol (17634.2809 without restraints) Performing minimization step: 846. Total energy = 17625.5668 kcal/mol (17620.2589 without restraints) Performing minimization step: 847. Total energy = 17611.5676 kcal/mol (17606.2629 without restraints) Performing minimization step: 848. Total energy = 17597.5941 kcal/mol (17592.2926 without restraints) Performing minimization step: 849. Total energy = 17583.6458 kcal/mol (17578.3478 without restraints) Performing minimization step: 850. Total energy = 17569.7238 kcal/mol (17564.4287 without restraints) Performing minimization step: 851. Total energy = 17555.8270 kcal/mol (17550.5351 without restraints) Performing minimization step: 852. Total energy = 17541.9557 kcal/mol (17536.6671 without restraints) Performing minimization step: 853. Total energy = 17528.1098 kcal/mol (17522.8242 without restraints) Performing minimization step: 854. Total energy = 17514.2891 kcal/mol (17509.0069 without restraints) Performing minimization step: 855. Total energy = 17500.4940 kcal/mol (17495.2148 without restraints) Performing minimization step: 856. Total energy = 17486.7244 kcal/mol (17481.4486 without restraints) Performing minimization step: 857. Total energy = 17472.9792 kcal/mol (17467.7064 without restraints) Performing minimization step: 858. Total energy = 17459.2585 kcal/mol (17453.9888 without restraints) Performing minimization step: 859. Total energy = 17445.5629 kcal/mol (17440.2963 without restraints) Performing minimization step: 860. Total energy = 17431.8924 kcal/mol (17426.6289 without restraints) Performing minimization step: 861. Total energy = 17418.2463 kcal/mol (17412.9861 without restraints) Performing minimization step: 862. Total energy = 17404.6252 kcal/mol (17399.3679 without restraints) Performing minimization step: 863. Total energy = 17391.0284 kcal/mol (17385.7744 without restraints) Performing minimization step: 864. Total energy = 17377.4571 kcal/mol (17372.2061 without restraints) Performing minimization step: 865. Total energy = 17363.9103 kcal/mol (17358.6623 without restraints) Performing minimization step: 866. Total energy = 17350.3871 kcal/mol (17345.1423 without restraints) Performing minimization step: 867. Total energy = 17336.8884 kcal/mol (17331.6466 without restraints) Performing minimization step: 868. Total energy = 17323.4142 kcal/mol (17318.1755 without restraints) Performing minimization step: 869. Total energy = 17309.9642 kcal/mol (17304.7286 without restraints) Performing minimization step: 870. Total energy = 17296.5380 kcal/mol (17291.3054 without restraints) Performing minimization step: 871. Total energy = 17283.1360 kcal/mol (17277.9064 without restraints) Performing minimization step: 872. Total energy = 17269.7582 kcal/mol (17264.5317 without restraints) Performing minimization step: 873. Total energy = 17256.4047 kcal/mol (17251.1813 without restraints) Performing minimization step: 874. Total energy = 17243.0751 kcal/mol (17237.8546 without restraints) Performing minimization step: 875. Total energy = 17229.7698 kcal/mol (17224.5523 without restraints) Performing minimization step: 876. Total energy = 17216.4871 kcal/mol (17211.2727 without restraints) Performing minimization step: 877. Total energy = 17203.2282 kcal/mol (17198.0167 without restraints) Performing minimization step: 878. Total energy = 17189.9932 kcal/mol (17184.7848 without restraints) Performing minimization step: 879. Total energy = 17176.7817 kcal/mol (17171.5763 without restraints) Performing minimization step: 880. Total energy = 17163.5932 kcal/mol (17158.3907 without restraints) Performing minimization step: 881. Total energy = 17150.4288 kcal/mol (17145.2293 without restraints) Performing minimization step: 882. Total energy = 17137.2877 kcal/mol (17132.0912 without restraints) Performing minimization step: 883. Total energy = 17124.1701 kcal/mol (17118.9765 without restraints) Performing minimization step: 884. Total energy = 17111.0755 kcal/mol (17105.8848 without restraints) Performing minimization step: 885. Total energy = 17098.0037 kcal/mol (17092.8161 without restraints) Performing minimization step: 886. Total energy = 17084.9554 kcal/mol (17079.7707 without restraints) Performing minimization step: 887. Total energy = 17071.9298 kcal/mol (17066.7480 without restraints) Performing minimization step: 888. Total energy = 17058.9272 kcal/mol (17053.7483 without restraints) Performing minimization step: 889. Total energy = 17045.9478 kcal/mol (17040.7718 without restraints) Performing minimization step: 890. Total energy = 17032.9912 kcal/mol (17027.8179 without restraints) Performing minimization step: 891. Total energy = 17020.0571 kcal/mol (17014.8870 without restraints) Performing minimization step: 892. Total energy = 17007.1460 kcal/mol (17001.9787 without restraints) Performing minimization step: 893. Total energy = 16994.2578 kcal/mol (16989.0936 without restraints) Performing minimization step: 894. Total energy = 16981.3919 kcal/mol (16976.2303 without restraints) Performing minimization step: 895. Total energy = 16968.5484 kcal/mol (16963.3898 without restraints) Performing minimization step: 896. Total energy = 16955.7276 kcal/mol (16950.5719 without restraints) Performing minimization step: 897. Total energy = 16942.9289 kcal/mol (16937.7759 without restraints) Performing minimization step: 898. Total energy = 16930.1523 kcal/mol (16925.0023 without restraints) Performing minimization step: 899. Total energy = 16917.3977 kcal/mol (16912.2505 without restraints) Performing minimization step: 900. Total energy = 16904.6662 kcal/mol (16899.5218 without restraints) Writing PDB file: /home/ubuntu/rna-tools/rna_tools/tools/webserver-engine/media/jobs/4d7f5969/tmp/C8MA2_refx/C8MA2_refx.pdb ...Done. Performing minimization step: 901. Total energy = 16891.9566 kcal/mol (16886.8150 without restraints) Performing minimization step: 902. Total energy = 16879.2690 kcal/mol (16874.1303 without restraints) Performing minimization step: 903. Total energy = 16866.6033 kcal/mol (16861.4674 without restraints) Performing minimization step: 904. Total energy = 16853.9595 kcal/mol (16848.8265 without restraints) Performing minimization step: 905. Total energy = 16841.3378 kcal/mol (16836.2076 without restraints) Performing minimization step: 906. Total energy = 16828.7379 kcal/mol (16823.6105 without restraints) Performing minimization step: 907. Total energy = 16816.1598 kcal/mol (16811.0351 without restraints) Performing minimization step: 908. Total energy = 16803.6033 kcal/mol (16798.4813 without restraints) Performing minimization step: 909. Total energy = 16791.0683 kcal/mol (16785.9493 without restraints) Performing minimization step: 910. Total energy = 16778.5552 kcal/mol (16773.4389 without restraints) Performing minimization step: 911. Total energy = 16766.0634 kcal/mol (16760.9500 without restraints) Performing minimization step: 912. Total energy = 16753.5930 kcal/mol (16748.4823 without restraints) Performing minimization step: 913. Total energy = 16741.1443 kcal/mol (16736.0362 without restraints) Performing minimization step: 914. Total energy = 16728.7172 kcal/mol (16723.6121 without restraints) Performing minimization step: 915. Total energy = 16716.3115 kcal/mol (16711.2090 without restraints) Performing minimization step: 916. Total energy = 16703.9264 kcal/mol (16698.8266 without restraints) Performing minimization step: 917. Total energy = 16691.5624 kcal/mol (16686.4652 without restraints) Performing minimization step: 918. Total energy = 16679.2198 kcal/mol (16674.1252 without restraints) Performing minimization step: 919. Total energy = 16666.8984 kcal/mol (16661.8067 without restraints) Performing minimization step: 920. Total energy = 16654.5978 kcal/mol (16649.5088 without restraints) Performing minimization step: 921. Total energy = 16642.3177 kcal/mol (16637.2313 without restraints) Performing minimization step: 922. Total energy = 16630.0587 kcal/mol (16624.9751 without restraints) Performing minimization step: 923. Total energy = 16617.8205 kcal/mol (16612.7395 without restraints) Performing minimization step: 924. Total energy = 16605.6029 kcal/mol (16600.5246 without restraints) Performing minimization step: 925. Total energy = 16593.4059 kcal/mol (16588.3304 without restraints) Performing minimization step: 926. Total energy = 16581.2298 kcal/mol (16576.1570 without restraints) Performing minimization step: 927. Total energy = 16569.0744 kcal/mol (16564.0043 without restraints) Performing minimization step: 928. Total energy = 16556.9394 kcal/mol (16551.8718 without restraints) Performing minimization step: 929. Total energy = 16544.8248 kcal/mol (16539.7600 without restraints) Performing minimization step: 930. Total energy = 16532.7307 kcal/mol (16527.6685 without restraints) Performing minimization step: 931. Total energy = 16520.6571 kcal/mol (16515.5975 without restraints) Performing minimization step: 932. Total energy = 16508.6036 kcal/mol (16503.5466 without restraints) Performing minimization step: 933. Total energy = 16496.5702 kcal/mol (16491.5158 without restraints) Performing minimization step: 934. Total energy = 16484.5568 kcal/mol (16479.5051 without restraints) Performing minimization step: 935. Total energy = 16472.5638 kcal/mol (16467.5147 without restraints) Performing minimization step: 936. Total energy = 16460.5908 kcal/mol (16455.5444 without restraints) Performing minimization step: 937. Total energy = 16448.6377 kcal/mol (16443.5938 without restraints) Performing minimization step: 938. Total energy = 16436.7046 kcal/mol (16431.6633 without restraints) Performing minimization step: 939. Total energy = 16424.7909 kcal/mol (16419.7522 without restraints) Performing minimization step: 940. Total energy = 16412.8976 kcal/mol (16407.8615 without restraints) Performing minimization step: 941. Total energy = 16401.0246 kcal/mol (16395.9912 without restraints) Performing minimization step: 942. Total energy = 16389.1708 kcal/mol (16384.1398 without restraints) Performing minimization step: 943. Total energy = 16377.3372 kcal/mol (16372.3088 without restraints) Performing minimization step: 944. Total energy = 16365.5228 kcal/mol (16360.4970 without restraints) Performing minimization step: 945. Total energy = 16353.7280 kcal/mol (16348.7050 without restraints) Performing minimization step: 946. Total energy = 16341.9528 kcal/mol (16336.9321 without restraints) Performing minimization step: 947. Total energy = 16330.1965 kcal/mol (16325.1783 without restraints) Performing minimization step: 948. Total energy = 16318.4603 kcal/mol (16313.4447 without restraints) Performing minimization step: 949. Total energy = 16306.7431 kcal/mol (16301.7299 without restraints) Performing minimization step: 950. Total energy = 16295.0448 kcal/mol (16290.0342 without restraints) Performing minimization step: 951. Total energy = 16283.3663 kcal/mol (16278.3582 without restraints) Performing minimization step: 952. Total energy = 16271.7067 kcal/mol (16266.7012 without restraints) Performing minimization step: 953. Total energy = 16260.0665 kcal/mol (16255.0635 without restraints) Performing minimization step: 954. Total energy = 16248.4448 kcal/mol (16243.4443 without restraints) Performing minimization step: 955. Total energy = 16236.8420 kcal/mol (16231.8440 without restraints) Performing minimization step: 956. Total energy = 16225.2587 kcal/mol (16220.2633 without restraints) Performing minimization step: 957. Total energy = 16213.6946 kcal/mol (16208.7015 without restraints) Performing minimization step: 958. Total energy = 16202.1490 kcal/mol (16197.1585 without restraints) Performing minimization step: 959. Total energy = 16190.6223 kcal/mol (16185.6342 without restraints) Performing minimization step: 960. Total energy = 16179.1143 kcal/mol (16174.1286 without restraints) Performing minimization step: 961. Total energy = 16167.6248 kcal/mol (16162.6416 without restraints) Performing minimization step: 962. Total energy = 16156.1538 kcal/mol (16151.1731 without restraints) Performing minimization step: 963. Total energy = 16144.7018 kcal/mol (16139.7236 without restraints) Performing minimization step: 964. Total energy = 16133.2687 kcal/mol (16128.2929 without restraints) Performing minimization step: 965. Total energy = 16121.8539 kcal/mol (16116.8806 without restraints) Performing minimization step: 966. Total energy = 16110.4575 kcal/mol (16105.4866 without restraints) Performing minimization step: 967. Total energy = 16099.0793 kcal/mol (16094.1108 without restraints) Performing minimization step: 968. Total energy = 16087.7193 kcal/mol (16082.7532 without restraints) Performing minimization step: 969. Total energy = 16076.3776 kcal/mol (16071.4137 without restraints) Performing minimization step: 970. Total energy = 16065.0539 kcal/mol (16060.0927 without restraints) Performing minimization step: 971. Total energy = 16053.7488 kcal/mol (16048.7900 without restraints) Performing minimization step: 972. Total energy = 16042.4623 kcal/mol (16037.5061 without restraints) Performing minimization step: 973. Total energy = 16031.1939 kcal/mol (16026.2399 without restraints) Performing minimization step: 974. Total energy = 16019.9429 kcal/mol (16014.9913 without restraints) Performing minimization step: 975. Total energy = 16008.7100 kcal/mol (16003.7608 without restraints) Performing minimization step: 976. Total energy = 15997.4958 kcal/mol (15992.5491 without restraints) Performing minimization step: 977. Total energy = 15986.2995 kcal/mol (15981.3550 without restraints) Performing minimization step: 978. Total energy = 15975.1202 kcal/mol (15970.1780 without restraints) Performing minimization step: 979. Total energy = 15963.9586 kcal/mol (15959.0189 without restraints) Performing minimization step: 980. Total energy = 15952.8149 kcal/mol (15947.8776 without restraints) Performing minimization step: 981. Total energy = 15941.6890 kcal/mol (15936.7540 without restraints) Performing minimization step: 982. Total energy = 15930.5809 kcal/mol (15925.6482 without restraints) Performing minimization step: 983. Total energy = 15919.4902 kcal/mol (15914.5599 without restraints) Performing minimization step: 984. Total energy = 15908.4172 kcal/mol (15903.4892 without restraints) Performing minimization step: 985. Total energy = 15897.3619 kcal/mol (15892.4363 without restraints) Performing minimization step: 986. Total energy = 15886.3238 kcal/mol (15881.4005 without restraints) Performing minimization step: 987. Total energy = 15875.3031 kcal/mol (15870.3822 without restraints) Performing minimization step: 988. Total energy = 15864.2998 kcal/mol (15859.3812 without restraints) Performing minimization step: 989. Total energy = 15853.3138 kcal/mol (15848.3976 without restraints) Performing minimization step: 990. Total energy = 15842.3452 kcal/mol (15837.4313 without restraints) Performing minimization step: 991. Total energy = 15831.3937 kcal/mol (15826.4820 without restraints) Performing minimization step: 992. Total energy = 15820.4592 kcal/mol (15815.5500 without restraints) Performing minimization step: 993. Total energy = 15809.5424 kcal/mol (15804.6353 without restraints) Performing minimization step: 994. Total energy = 15798.6432 kcal/mol (15793.7385 without restraints) Performing minimization step: 995. Total energy = 15787.7602 kcal/mol (15782.8577 without restraints) Performing minimization step: 996. Total energy = 15776.8939 kcal/mol (15771.9937 without restraints) Performing minimization step: 997. Total energy = 15766.0452 kcal/mol (15761.1473 without restraints) Performing minimization step: 998. Total energy = 15755.2130 kcal/mol (15750.3176 without restraints) Performing minimization step: 999. Total energy = 15744.3975 kcal/mol (15739.5038 without restraints) Performing minimization step: 1000. Total energy = 15733.5986 kcal/mol (15728.7074 without restraints) Writing PDB file: /home/ubuntu/rna-tools/rna_tools/tools/webserver-engine/media/jobs/4d7f5969/tmp/C8MA2_refx/C8MA2_refx.pdb ...Done. Performing minimization step: 1001. Total energy = 15722.8167 kcal/mol (15717.9278 without restraints) Performing minimization step: 1002. Total energy = 15712.0510 kcal/mol (15707.1644 without restraints) Performing minimization step: 1003. Total energy = 15701.3025 kcal/mol (15696.4181 without restraints) Performing minimization step: 1004. Total energy = 15690.5707 kcal/mol (15685.6887 without restraints) Performing minimization step: 1005. Total energy = 15679.8549 kcal/mol (15674.9751 without restraints) Performing minimization step: 1006. Total energy = 15669.1563 kcal/mol (15664.2786 without restraints) Performing minimization step: 1007. Total energy = 15658.4741 kcal/mol (15653.5987 without restraints) Performing minimization step: 1008. Total energy = 15647.8084 kcal/mol (15642.9353 without restraints) Performing minimization step: 1009. Total energy = 15637.1590 kcal/mol (15632.2881 without restraints) Performing minimization step: 1010. Total energy = 15626.5262 kcal/mol (15621.6575 without restraints) Performing minimization step: 1011. Total energy = 15615.9099 kcal/mol (15611.0434 without restraints) Performing minimization step: 1012. Total energy = 15605.3100 kcal/mol (15600.4457 without restraints) Performing minimization step: 1013. Total energy = 15594.7257 kcal/mol (15589.8638 without restraints) Performing minimization step: 1014. Total energy = 15584.1581 kcal/mol (15579.2982 without restraints) Performing minimization step: 1015. Total energy = 15573.6065 kcal/mol (15568.7488 without restraints) Performing minimization step: 1016. Total energy = 15563.0709 kcal/mol (15558.2154 without restraints) Performing minimization step: 1017. Total energy = 15552.5516 kcal/mol (15547.6983 without restraints) Performing minimization step: 1018. Total energy = 15542.0482 kcal/mol (15537.1971 without restraints) Performing minimization step: 1019. Total energy = 15531.5605 kcal/mol (15526.7115 without restraints) Performing minimization step: 1020. Total energy = 15521.0888 kcal/mol (15516.2420 without restraints) Performing minimization step: 1021. Total energy = 15510.6333 kcal/mol (15505.7889 without restraints) Performing minimization step: 1022. Total energy = 15500.1935 kcal/mol (15495.3511 without restraints) Performing minimization step: 1023. Total energy = 15489.7693 kcal/mol (15484.9290 without restraints) Performing minimization step: 1024. Total energy = 15479.3615 kcal/mol (15474.5235 without restraints) Performing minimization step: 1025. Total energy = 15468.9689 kcal/mol (15464.1330 without restraints) Performing minimization step: 1026. Total energy = 15458.5920 kcal/mol (15453.7582 without restraints) Performing minimization step: 1027. Total energy = 15448.2302 kcal/mol (15443.3984 without restraints) Performing minimization step: 1028. Total energy = 15437.8843 kcal/mol (15433.0548 without restraints) Performing minimization step: 1029. Total energy = 15427.5541 kcal/mol (15422.7267 without restraints) Performing minimization step: 1030. Total energy = 15417.2395 kcal/mol (15412.4142 without restraints) Performing minimization step: 1031. Total energy = 15406.9403 kcal/mol (15402.1172 without restraints) Performing minimization step: 1032. Total energy = 15396.6563 kcal/mol (15391.8356 without restraints) Performing minimization step: 1033. Total energy = 15386.3880 kcal/mol (15381.5692 without restraints) Performing minimization step: 1034. Total energy = 15376.1350 kcal/mol (15371.3181 without restraints) Performing minimization step: 1035. Total energy = 15365.8975 kcal/mol (15361.0828 without restraints) Performing minimization step: 1036. Total energy = 15355.6752 kcal/mol (15350.8627 without restraints) Performing minimization step: 1037. Total energy = 15345.4682 kcal/mol (15340.6577 without restraints) Performing minimization step: 1038. Total energy = 15335.2765 kcal/mol (15330.4681 without restraints) Performing minimization step: 1039. Total energy = 15325.0992 kcal/mol (15320.2930 without restraints) Performing minimization step: 1040. Total energy = 15314.9375 kcal/mol (15310.1334 without restraints) Performing minimization step: 1041. Total energy = 15304.7907 kcal/mol (15299.9886 without restraints) Performing minimization step: 1042. Total energy = 15294.6591 kcal/mol (15289.8591 without restraints) Performing minimization step: 1043. Total energy = 15284.5425 kcal/mol (15279.7445 without restraints) Performing minimization step: 1044. Total energy = 15274.4406 kcal/mol (15269.6447 without restraints) Performing minimization step: 1045. Total energy = 15264.3535 kcal/mol (15259.5596 without restraints) Performing minimization step: 1046. Total energy = 15254.2814 kcal/mol (15249.4897 without restraints) Performing minimization step: 1047. Total energy = 15244.2246 kcal/mol (15239.4351 without restraints) Performing minimization step: 1048. Total energy = 15234.1825 kcal/mol (15229.3949 without restraints) Performing minimization step: 1049. Total energy = 15224.1551 kcal/mol (15219.3696 without restraints) Performing minimization step: 1050. Total energy = 15214.1429 kcal/mol (15209.3596 without restraints) Performing minimization step: 1051. Total energy = 15204.1451 kcal/mol (15199.3636 without restraints) Performing minimization step: 1052. Total energy = 15194.1621 kcal/mol (15189.3827 without restraints) Performing minimization step: 1053. Total energy = 15184.1936 kcal/mol (15179.4162 without restraints) Performing minimization step: 1054. Total energy = 15174.2395 kcal/mol (15169.4642 without restraints) Performing minimization step: 1055. Total energy = 15164.2997 kcal/mol (15159.5264 without restraints) Performing minimization step: 1056. Total energy = 15154.3743 kcal/mol (15149.6032 without restraints) Performing minimization step: 1057. Total energy = 15144.4641 kcal/mol (15139.6948 without restraints) Performing minimization step: 1058. Total energy = 15134.5673 kcal/mol (15129.7999 without restraints) Performing minimization step: 1059. Total energy = 15124.6859 kcal/mol (15119.9207 without restraints) Performing minimization step: 1060. Total energy = 15114.8186 kcal/mol (15110.0554 without restraints) Performing minimization step: 1061. Total energy = 15104.9652 kcal/mol (15100.2041 without restraints) Performing minimization step: 1062. Total energy = 15095.1265 kcal/mol (15090.3673 without restraints) Performing minimization step: 1063. Total energy = 15085.3023 kcal/mol (15080.5452 without restraints) Performing minimization step: 1064. Total energy = 15075.4919 kcal/mol (15070.7367 without restraints) Performing minimization step: 1065. Total energy = 15065.6959 kcal/mol (15060.9428 without restraints) Performing minimization step: 1066. Total energy = 15055.9140 kcal/mol (15051.1628 without restraints) Performing minimization step: 1067. Total energy = 15046.1461 kcal/mol (15041.3968 without restraints) Performing minimization step: 1068. Total energy = 15036.3923 kcal/mol (15031.6451 without restraints) Performing minimization step: 1069. Total energy = 15026.6526 kcal/mol (15021.9074 without restraints) Performing minimization step: 1070. Total energy = 15016.9271 kcal/mol (15012.1838 without restraints) Performing minimization step: 1071. Total energy = 15007.2150 kcal/mol (15002.4737 without restraints) Performing minimization step: 1072. Total energy = 14997.5171 kcal/mol (14992.7778 without restraints) Performing minimization step: 1073. Total energy = 14987.8330 kcal/mol (14983.0955 without restraints) Performing minimization step: 1074. Total energy = 14978.1627 kcal/mol (14973.4274 without restraints) Performing minimization step: 1075. Total energy = 14968.5065 kcal/mol (14963.7731 without restraints) Performing minimization step: 1076. Total energy = 14958.8636 kcal/mol (14954.1321 without restraints) Performing minimization step: 1077. Total energy = 14949.2350 kcal/mol (14944.5055 without restraints) Performing minimization step: 1078. Total energy = 14939.6201 kcal/mol (14934.8925 without restraints) Performing minimization step: 1079. Total energy = 14930.0190 kcal/mol (14925.2935 without restraints) Performing minimization step: 1080. Total energy = 14920.4316 kcal/mol (14915.7079 without restraints) Performing minimization step: 1081. Total energy = 14910.8577 kcal/mol (14906.1359 without restraints) Performing minimization step: 1082. Total energy = 14901.2972 kcal/mol (14896.5774 without restraints) Performing minimization step: 1083. Total energy = 14891.7504 kcal/mol (14887.0325 without restraints) Performing minimization step: 1084. Total energy = 14882.2171 kcal/mol (14877.5011 without restraints) Performing minimization step: 1085. Total energy = 14872.6975 kcal/mol (14867.9835 without restraints) Performing minimization step: 1086. Total energy = 14863.1917 kcal/mol (14858.4796 without restraints) Performing minimization step: 1087. Total energy = 14853.6988 kcal/mol (14848.9887 without restraints) Performing minimization step: 1088. Total energy = 14844.2190 kcal/mol (14839.5107 without restraints) Performing minimization step: 1089. Total energy = 14834.7532 kcal/mol (14830.0470 without restraints) Performing minimization step: 1090. Total energy = 14825.3007 kcal/mol (14820.5963 without restraints) Performing minimization step: 1091. Total energy = 14815.8610 kcal/mol (14811.1585 without restraints) Performing minimization step: 1092. Total energy = 14806.4350 kcal/mol (14801.7345 without restraints) Performing minimization step: 1093. Total energy = 14797.0224 kcal/mol (14792.3236 without restraints) Performing minimization step: 1094. Total energy = 14787.6228 kcal/mol (14782.9260 without restraints) Performing minimization step: 1095. Total energy = 14778.2362 kcal/mol (14773.5412 without restraints) Performing minimization step: 1096. Total energy = 14768.8627 kcal/mol (14764.1696 without restraints) Performing minimization step: 1097. Total energy = 14759.5022 kcal/mol (14754.8109 without restraints) Performing minimization step: 1098. Total energy = 14750.1549 kcal/mol (14745.4656 without restraints) Performing minimization step: 1099. Total energy = 14740.8204 kcal/mol (14736.1330 without restraints) Performing minimization step: 1100. Total energy = 14731.4989 kcal/mol (14726.8134 without restraints) Writing PDB file: /home/ubuntu/rna-tools/rna_tools/tools/webserver-engine/media/jobs/4d7f5969/tmp/C8MA2_refx/C8MA2_refx.pdb ...Done. Performing minimization step: 1101. Total energy = 14722.1907 kcal/mol (14717.5072 without restraints) Performing minimization step: 1102. Total energy = 14712.8954 kcal/mol (14708.2136 without restraints) Performing minimization step: 1103. Total energy = 14703.6131 kcal/mol (14698.9332 without restraints) Performing minimization step: 1104. Total energy = 14694.3435 kcal/mol (14689.6653 without restraints) Performing minimization step: 1105. Total energy = 14685.0860 kcal/mol (14680.4098 without restraints) Performing minimization step: 1106. Total energy = 14675.8424 kcal/mol (14671.1680 without restraints) Performing minimization step: 1107. Total energy = 14666.6113 kcal/mol (14661.9388 without restraints) Performing minimization step: 1108. Total energy = 14657.3928 kcal/mol (14652.7222 without restraints) Performing minimization step: 1109. Total energy = 14648.1870 kcal/mol (14643.5182 without restraints) Performing minimization step: 1110. Total energy = 14638.9943 kcal/mol (14634.3274 without restraints) Performing minimization step: 1111. Total energy = 14629.8138 kcal/mol (14625.1487 without restraints) Performing minimization step: 1112. Total energy = 14620.6462 kcal/mol (14615.9829 without restraints) Performing minimization step: 1113. Total energy = 14611.4916 kcal/mol (14606.8303 without restraints) Performing minimization step: 1114. Total energy = 14602.3496 kcal/mol (14597.6900 without restraints) Performing minimization step: 1115. Total energy = 14593.2199 kcal/mol (14588.5621 without restraints) Performing minimization step: 1116. Total energy = 14584.1026 kcal/mol (14579.4467 without restraints) Performing minimization step: 1117. Total energy = 14574.9979 kcal/mol (14570.3438 without restraints) Performing minimization step: 1118. Total energy = 14565.9057 kcal/mol (14561.2536 without restraints) Performing minimization step: 1119. Total energy = 14556.8264 kcal/mol (14552.1759 without restraints) Performing minimization step: 1120. Total energy = 14547.7590 kcal/mol (14543.1103 without restraints) Performing minimization step: 1121. Total energy = 14538.7036 kcal/mol (14534.0567 without restraints) Performing minimization step: 1122. Total energy = 14529.6608 kcal/mol (14525.0158 without restraints) Performing minimization step: 1123. Total energy = 14520.6303 kcal/mol (14515.9871 without restraints) Performing minimization step: 1124. Total energy = 14511.6121 kcal/mol (14506.9708 without restraints) Performing minimization step: 1125. Total energy = 14502.6062 kcal/mol (14497.9665 without restraints) Performing minimization step: 1126. Total energy = 14493.6124 kcal/mol (14488.9745 without restraints) Performing minimization step: 1127. Total energy = 14484.6312 kcal/mol (14479.9951 without restraints) Performing minimization step: 1128. Total energy = 14475.6620 kcal/mol (14471.0278 without restraints) Performing minimization step: 1129. Total energy = 14466.7050 kcal/mol (14462.0726 without restraints) Performing minimization step: 1130. Total energy = 14457.7601 kcal/mol (14453.1295 without restraints) Performing minimization step: 1131. Total energy = 14448.8273 kcal/mol (14444.1985 without restraints) Performing minimization step: 1132. Total energy = 14439.9066 kcal/mol (14435.2797 without restraints) Performing minimization step: 1133. Total energy = 14430.9976 kcal/mol (14426.3724 without restraints) Performing minimization step: 1134. Total energy = 14422.1010 kcal/mol (14417.4775 without restraints) Performing minimization step: 1135. Total energy = 14413.2165 kcal/mol (14408.5949 without restraints) Performing minimization step: 1136. Total energy = 14404.3435 kcal/mol (14399.7236 without restraints) Performing minimization step: 1137. Total energy = 14395.4827 kcal/mol (14390.8645 without restraints) Performing minimization step: 1138. Total energy = 14386.6338 kcal/mol (14382.0174 without restraints) Performing minimization step: 1139. Total energy = 14377.7966 kcal/mol (14373.1820 without restraints) Performing minimization step: 1140. Total energy = 14368.9719 kcal/mol (14364.3591 without restraints) Performing minimization step: 1141. Total energy = 14360.1586 kcal/mol (14355.5475 without restraints) Performing minimization step: 1142. Total energy = 14351.3576 kcal/mol (14346.7483 without restraints) Performing minimization step: 1143. Total energy = 14342.5678 kcal/mol (14337.9602 without restraints) Performing minimization step: 1144. Total energy = 14333.7900 kcal/mol (14329.1842 without restraints) Performing minimization step: 1145. Total energy = 14325.0237 kcal/mol (14320.4196 without restraints) Performing minimization step: 1146. Total energy = 14316.2689 kcal/mol (14311.6664 without restraints) Performing minimization step: 1147. Total energy = 14307.5256 kcal/mol (14302.9250 without restraints) Performing minimization step: 1148. Total energy = 14298.7943 kcal/mol (14294.1955 without restraints) Performing minimization step: 1149. Total energy = 14290.0744 kcal/mol (14285.4773 without restraints) Performing minimization step: 1150. Total energy = 14281.3661 kcal/mol (14276.7707 without restraints) Performing minimization step: 1151. Total energy = 14272.6699 kcal/mol (14268.0764 without restraints) Performing minimization step: 1152. Total energy = 14263.9850 kcal/mol (14259.3931 without restraints) Performing minimization step: 1153. Total energy = 14255.3114 kcal/mol (14250.7210 without restraints) Performing minimization step: 1154. Total energy = 14246.6489 kcal/mol (14242.0604 without restraints) Performing minimization step: 1155. Total energy = 14237.9984 kcal/mol (14233.4116 without restraints) Performing minimization step: 1156. Total energy = 14229.3593 kcal/mol (14224.7743 without restraints) Performing minimization step: 1157. Total energy = 14220.7316 kcal/mol (14216.1482 without restraints) Performing minimization step: 1158. Total energy = 14212.1152 kcal/mol (14207.5336 without restraints) Performing minimization step: 1159. Total energy = 14203.5103 kcal/mol (14198.9304 without restraints) Performing minimization step: 1160. Total energy = 14194.9169 kcal/mol (14190.3387 without restraints) Performing minimization step: 1161. Total energy = 14186.3342 kcal/mol (14181.7576 without restraints) Performing minimization step: 1162. Total energy = 14177.7631 kcal/mol (14173.1884 without restraints) Performing minimization step: 1163. Total energy = 14169.2031 kcal/mol (14164.6301 without restraints) Performing minimization step: 1164. Total energy = 14160.6546 kcal/mol (14156.0833 without restraints) Performing minimization step: 1165. Total energy = 14152.1172 kcal/mol (14147.5476 without restraints) Performing minimization step: 1166. Total energy = 14143.5914 kcal/mol (14139.0234 without restraints) Performing minimization step: 1167. Total energy = 14135.0761 kcal/mol (14130.5098 without restraints) Performing minimization step: 1168. Total energy = 14126.5723 kcal/mol (14122.0078 without restraints) Performing minimization step: 1169. Total energy = 14118.0797 kcal/mol (14113.5169 without restraints) Performing minimization step: 1170. Total energy = 14109.5981 kcal/mol (14105.0370 without restraints) Performing minimization step: 1171. Total energy = 14101.1278 kcal/mol (14096.5686 without restraints) Performing minimization step: 1172. Total energy = 14092.6687 kcal/mol (14088.1109 without restraints) Performing minimization step: 1173. Total energy = 14084.2203 kcal/mol (14079.6642 without restraints) Performing minimization step: 1174. Total energy = 14075.7828 kcal/mol (14071.2284 without restraints) Performing minimization step: 1175. Total energy = 14067.3563 kcal/mol (14062.8035 without restraints) Performing minimization step: 1176. Total energy = 14058.9404 kcal/mol (14054.3893 without restraints) Performing minimization step: 1177. Total energy = 14050.5363 kcal/mol (14045.9869 without restraints) Performing minimization step: 1178. Total energy = 14042.1424 kcal/mol (14037.5947 without restraints) Performing minimization step: 1179. Total energy = 14033.7596 kcal/mol (14029.2136 without restraints) Performing minimization step: 1180. Total energy = 14025.3875 kcal/mol (14020.8432 without restraints) Performing minimization step: 1181. Total energy = 14017.0274 kcal/mol (14012.4845 without restraints) Performing minimization step: 1182. Total energy = 14008.6770 kcal/mol (14004.1359 without restraints) Performing minimization step: 1183. Total energy = 14000.3367 kcal/mol (13995.7973 without restraints) Performing minimization step: 1184. Total energy = 13992.0087 kcal/mol (13987.4710 without restraints) Performing minimization step: 1185. Total energy = 13983.6903 kcal/mol (13979.1541 without restraints) Performing minimization step: 1186. Total energy = 13975.3831 kcal/mol (13970.8485 without restraints) Performing minimization step: 1187. Total energy = 13967.0864 kcal/mol (13962.5536 without restraints) Performing minimization step: 1188. Total energy = 13958.8005 kcal/mol (13954.2694 without restraints) Performing minimization step: 1189. Total energy = 13950.5254 kcal/mol (13945.9959 without restraints) Performing minimization step: 1190. Total energy = 13942.2609 kcal/mol (13937.7329 without restraints) Performing minimization step: 1191. Total energy = 13934.0070 kcal/mol (13929.4808 without restraints) Performing minimization step: 1192. Total energy = 13925.7634 kcal/mol (13921.2389 without restraints) Performing minimization step: 1193. Total energy = 13917.5304 kcal/mol (13913.0075 without restraints) Performing minimization step: 1194. Total energy = 13909.3082 kcal/mol (13904.7869 without restraints) Performing minimization step: 1195. Total energy = 13901.0964 kcal/mol (13896.5767 without restraints) Performing minimization step: 1196. Total energy = 13892.8948 kcal/mol (13888.3768 without restraints) Performing minimization step: 1197. Total energy = 13884.7037 kcal/mol (13880.1873 without restraints) Performing minimization step: 1198. Total energy = 13876.5234 kcal/mol (13872.0087 without restraints) Performing minimization step: 1199. Total energy = 13868.3534 kcal/mol (13863.8402 without restraints) Performing minimization step: 1200. Total energy = 13860.1942 kcal/mol (13855.6828 without restraints) Writing PDB file: /home/ubuntu/rna-tools/rna_tools/tools/webserver-engine/media/jobs/4d7f5969/tmp/C8MA2_refx/C8MA2_refx.pdb ...Done. Performing minimization step: 1201. Total energy = 13852.0454 kcal/mol (13847.5355 without restraints) Performing minimization step: 1202. Total energy = 13843.9067 kcal/mol (13839.3984 without restraints) Performing minimization step: 1203. Total energy = 13835.7785 kcal/mol (13831.2719 without restraints) Performing minimization step: 1204. Total energy = 13827.6603 kcal/mol (13823.1554 without restraints) Performing minimization step: 1205. Total energy = 13819.5529 kcal/mol (13815.0495 without restraints) Performing minimization step: 1206. Total energy = 13811.4555 kcal/mol (13806.9536 without restraints) Performing minimization step: 1207. Total energy = 13803.3679 kcal/mol (13798.8677 without restraints) Performing minimization step: 1208. Total energy = 13795.2908 kcal/mol (13790.7922 without restraints) Performing minimization step: 1209. Total energy = 13787.2242 kcal/mol (13782.7272 without restraints) Performing minimization step: 1210. Total energy = 13779.1678 kcal/mol (13774.6723 without restraints) Performing minimization step: 1211. Total energy = 13771.1214 kcal/mol (13766.6277 without restraints) Performing minimization step: 1212. Total energy = 13763.0849 kcal/mol (13758.5928 without restraints) Performing minimization step: 1213. Total energy = 13755.0589 kcal/mol (13750.5684 without restraints) Performing minimization step: 1214. Total energy = 13747.0434 kcal/mol (13742.5545 without restraints) Performing minimization step: 1215. Total energy = 13739.0375 kcal/mol (13734.5501 without restraints) Performing minimization step: 1216. Total energy = 13731.0418 kcal/mol (13726.5561 without restraints) Performing minimization step: 1217. Total energy = 13723.0555 kcal/mol (13718.5712 without restraints) Performing minimization step: 1218. Total energy = 13715.0797 kcal/mol (13710.5971 without restraints) Performing minimization step: 1219. Total energy = 13707.1136 kcal/mol (13702.6327 without restraints) Performing minimization step: 1220. Total energy = 13699.1582 kcal/mol (13694.6789 without restraints) Performing minimization step: 1221. Total energy = 13691.2124 kcal/mol (13686.7346 without restraints) Performing minimization step: 1222. Total energy = 13683.2767 kcal/mol (13678.8005 without restraints) Performing minimization step: 1223. Total energy = 13675.3511 kcal/mol (13670.8766 without restraints) Performing minimization step: 1224. Total energy = 13667.4356 kcal/mol (13662.9627 without restraints) Performing minimization step: 1225. Total energy = 13659.5298 kcal/mol (13655.0583 without restraints) Performing minimization step: 1226. Total energy = 13651.6335 kcal/mol (13647.1637 without restraints) Performing minimization step: 1227. Total energy = 13643.7473 kcal/mol (13639.2790 without restraints) Performing minimization step: 1228. Total energy = 13635.8713 kcal/mol (13631.4046 without restraints) Performing minimization step: 1229. Total energy = 13628.0051 kcal/mol (13623.5399 without restraints) Performing minimization step: 1230. Total energy = 13620.1485 kcal/mol (13615.6849 without restraints) Performing minimization step: 1231. Total energy = 13612.3019 kcal/mol (13607.8400 without restraints) Performing minimization step: 1232. Total energy = 13604.4646 kcal/mol (13600.0040 without restraints) Performing minimization step: 1233. Total energy = 13596.6370 kcal/mol (13592.1781 without restraints) Performing minimization step: 1234. Total energy = 13588.8196 kcal/mol (13584.3623 without restraints) Performing minimization step: 1235. Total energy = 13581.0116 kcal/mol (13576.5558 without restraints) Performing minimization step: 1236. Total energy = 13573.2135 kcal/mol (13568.7592 without restraints) Performing minimization step: 1237. Total energy = 13565.4246 kcal/mol (13560.9719 without restraints) Performing minimization step: 1238. Total energy = 13557.6458 kcal/mol (13553.1948 without restraints) Performing minimization step: 1239. Total energy = 13549.8766 kcal/mol (13545.4270 without restraints) Performing minimization step: 1240. Total energy = 13542.1169 kcal/mol (13537.6688 without restraints) Performing minimization step: 1241. Total energy = 13534.3668 kcal/mol (13529.9203 without restraints) Performing minimization step: 1242. Total energy = 13526.6262 kcal/mol (13522.1813 without restraints) Performing minimization step: 1243. Total energy = 13518.8955 kcal/mol (13514.4521 without restraints) Performing minimization step: 1244. Total energy = 13511.1746 kcal/mol (13506.7328 without restraints) Performing minimization step: 1245. Total energy = 13503.4626 kcal/mol (13499.0222 without restraints) Performing minimization step: 1246. Total energy = 13495.7601 kcal/mol (13491.3213 without restraints) Performing minimization step: 1247. Total energy = 13488.0671 kcal/mol (13483.6299 without restraints) Performing minimization step: 1248. Total energy = 13480.3840 kcal/mol (13475.9484 without restraints) Performing minimization step: 1249. Total energy = 13472.7096 kcal/mol (13468.2755 without restraints) Performing minimization step: 1250. Total energy = 13465.0453 kcal/mol (13460.6127 without restraints) Performing minimization step: 1251. Total energy = 13457.3901 kcal/mol (13452.9590 without restraints) Performing minimization step: 1252. Total energy = 13449.7443 kcal/mol (13445.3149 without restraints) Performing minimization step: 1253. Total energy = 13442.1078 kcal/mol (13437.6798 without restraints) Performing minimization step: 1254. Total energy = 13434.4812 kcal/mol (13430.0548 without restraints) Performing minimization step: 1255. Total energy = 13426.8632 kcal/mol (13422.4382 without restraints) Performing minimization step: 1256. Total energy = 13419.2546 kcal/mol (13414.8311 without restraints) Performing minimization step: 1257. Total energy = 13411.6555 kcal/mol (13407.2336 without restraints) Performing minimization step: 1258. Total energy = 13404.0655 kcal/mol (13399.6450 without restraints) Performing minimization step: 1259. Total energy = 13396.4846 kcal/mol (13392.0658 without restraints) Performing minimization step: 1260. Total energy = 13388.9133 kcal/mol (13384.4958 without restraints) Performing minimization step: 1261. Total energy = 13381.3508 kcal/mol (13376.9350 without restraints) Performing minimization step: 1262. Total energy = 13373.7980 kcal/mol (13369.3839 without restraints) Performing minimization step: 1263. Total energy = 13366.2549 kcal/mol (13361.8421 without restraints) Performing minimization step: 1264. Total energy = 13358.7204 kcal/mol (13354.3092 without restraints) Performing minimization step: 1265. Total energy = 13351.1952 kcal/mol (13346.7854 without restraints) Performing minimization step: 1266. Total energy = 13343.6789 kcal/mol (13339.2706 without restraints) Performing minimization step: 1267. Total energy = 13336.1718 kcal/mol (13331.7650 without restraints) Performing minimization step: 1268. Total energy = 13328.6740 kcal/mol (13324.2688 without restraints) Performing minimization step: 1269. Total energy = 13321.1855 kcal/mol (13316.7817 without restraints) Performing minimization step: 1270. Total energy = 13313.7058 kcal/mol (13309.3036 without restraints) Performing minimization step: 1271. Total energy = 13306.2355 kcal/mol (13301.8347 without restraints) Performing minimization step: 1272. Total energy = 13298.7739 kcal/mol (13294.3747 without restraints) Performing minimization step: 1273. Total energy = 13291.3211 kcal/mol (13286.9234 without restraints) Performing minimization step: 1274. Total energy = 13283.8775 kcal/mol (13279.4813 without restraints) Performing minimization step: 1275. Total energy = 13276.4426 kcal/mol (13272.0478 without restraints) Performing minimization step: 1276. Total energy = 13269.0172 kcal/mol (13264.6239 without restraints) Performing minimization step: 1277. Total energy = 13261.6007 kcal/mol (13257.2092 without restraints) Performing minimization step: 1278. Total energy = 13254.1934 kcal/mol (13249.8032 without restraints) Performing minimization step: 1279. Total energy = 13246.7951 kcal/mol (13242.4064 without restraints) Performing minimization step: 1280. Total energy = 13239.4055 kcal/mol (13235.0181 without restraints) Performing minimization step: 1281. Total energy = 13232.0244 kcal/mol (13227.6386 without restraints) Performing minimization step: 1282. Total energy = 13224.6528 kcal/mol (13220.2686 without restraints) Performing minimization step: 1283. Total energy = 13217.2901 kcal/mol (13212.9073 without restraints) Performing minimization step: 1284. Total energy = 13209.9358 kcal/mol (13205.5545 without restraints) Performing minimization step: 1285. Total energy = 13202.5909 kcal/mol (13198.2112 without restraints) Performing minimization step: 1286. Total energy = 13195.2543 kcal/mol (13190.8757 without restraints) Performing minimization step: 1287. Total energy = 13187.9260 kcal/mol (13183.5490 without restraints) Performing minimization step: 1288. Total energy = 13180.6072 kcal/mol (13176.2317 without restraints) Performing minimization step: 1289. Total energy = 13173.2968 kcal/mol (13168.9228 without restraints) Performing minimization step: 1290. Total energy = 13165.9952 kcal/mol (13161.6227 without restraints) Performing minimization step: 1291. Total energy = 13158.7018 kcal/mol (13154.3308 without restraints) Performing minimization step: 1292. Total energy = 13151.4176 kcal/mol (13147.0480 without restraints) Performing minimization step: 1293. Total energy = 13144.1422 kcal/mol (13139.7741 without restraints) Performing minimization step: 1294. Total energy = 13136.8755 kcal/mol (13132.5088 without restraints) Performing minimization step: 1295. Total energy = 13129.6174 kcal/mol (13125.2523 without restraints) Performing minimization step: 1296. Total energy = 13122.3683 kcal/mol (13118.0046 without restraints) Performing minimization step: 1297. Total energy = 13115.1276 kcal/mol (13110.7654 without restraints) Performing minimization step: 1298. Total energy = 13107.8954 kcal/mol (13103.5347 without restraints) Performing minimization step: 1299. Total energy = 13100.6719 kcal/mol (13096.3126 without restraints) Performing minimization step: 1300. Total energy = 13093.4571 kcal/mol (13089.0993 without restraints) Writing PDB file: /home/ubuntu/rna-tools/rna_tools/tools/webserver-engine/media/jobs/4d7f5969/tmp/C8MA2_refx/C8MA2_refx.pdb ...Done. Performing minimization step: 1301. Total energy = 13086.2506 kcal/mol (13081.8942 without restraints) Performing minimization step: 1302. Total energy = 13079.0529 kcal/mol (13074.6978 without restraints) Performing minimization step: 1303. Total energy = 13071.8637 kcal/mol (13067.5102 without restraints) Performing minimization step: 1304. Total energy = 13064.6827 kcal/mol (13060.3307 without restraints) Performing minimization step: 1305. Total energy = 13057.5101 kcal/mol (13053.1593 without restraints) Performing minimization step: 1306. Total energy = 13050.3461 kcal/mol (13045.9970 without restraints) Performing minimization step: 1307. Total energy = 13043.1911 kcal/mol (13038.8435 without restraints) Performing minimization step: 1308. Total energy = 13036.0441 kcal/mol (13031.6979 without restraints) Performing minimization step: 1309. Total energy = 13028.9056 kcal/mol (13024.5607 without restraints) Performing minimization step: 1310. Total energy = 13021.7754 kcal/mol (13017.4321 without restraints) Performing minimization step: 1311. Total energy = 13014.6540 kcal/mol (13010.3121 without restraints) Performing minimization step: 1312. Total energy = 13007.5409 kcal/mol (13003.2005 without restraints) Performing minimization step: 1313. Total energy = 13000.4362 kcal/mol (12996.0973 without restraints) Performing minimization step: 1314. Total energy = 12993.3398 kcal/mol (12989.0022 without restraints) Performing minimization step: 1315. Total energy = 12986.2519 kcal/mol (12981.9158 without restraints) Performing minimization step: 1316. Total energy = 12979.1726 kcal/mol (12974.8380 without restraints) Performing minimization step: 1317. Total energy = 12972.1010 kcal/mol (12967.7678 without restraints) Performing minimization step: 1318. Total energy = 12965.0384 kcal/mol (12960.7066 without restraints) Performing minimization step: 1319. Total energy = 12957.9839 kcal/mol (12953.6535 without restraints) Performing minimization step: 1320. Total energy = 12950.9378 kcal/mol (12946.6089 without restraints) Performing minimization step: 1321. Total energy = 12943.8997 kcal/mol (12939.5722 without restraints) Performing minimization step: 1322. Total energy = 12936.8699 kcal/mol (12932.5439 without restraints) Performing minimization step: 1323. Total energy = 12929.8485 kcal/mol (12925.5239 without restraints) Performing minimization step: 1324. Total energy = 12922.8353 kcal/mol (12918.5121 without restraints) Performing minimization step: 1325. Total energy = 12915.8302 kcal/mol (12911.5085 without restraints) Performing minimization step: 1326. Total energy = 12908.8334 kcal/mol (12904.5131 without restraints) Performing minimization step: 1327. Total energy = 12901.8447 kcal/mol (12897.5257 without restraints) Performing minimization step: 1328. Total energy = 12894.8642 kcal/mol (12890.5468 without restraints) Performing minimization step: 1329. Total energy = 12887.8920 kcal/mol (12883.5760 without restraints) Performing minimization step: 1330. Total energy = 12880.9279 kcal/mol (12876.6133 without restraints) Performing minimization step: 1331. Total energy = 12873.9720 kcal/mol (12869.6589 without restraints) Performing minimization step: 1332. Total energy = 12867.0247 kcal/mol (12862.7131 without restraints) Performing minimization step: 1333. Total energy = 12860.0853 kcal/mol (12855.7749 without restraints) Performing minimization step: 1334. Total energy = 12853.1539 kcal/mol (12848.8450 without restraints) Performing minimization step: 1335. Total energy = 12846.2301 kcal/mol (12841.9225 without restraints) Performing minimization step: 1336. Total energy = 12839.3147 kcal/mol (12835.0086 without restraints) Performing minimization step: 1337. Total energy = 12832.4072 kcal/mol (12828.1025 without restraints) Performing minimization step: 1338. Total energy = 12825.5079 kcal/mol (12821.2047 without restraints) Performing minimization step: 1339. Total energy = 12818.6165 kcal/mol (12814.3145 without restraints) Performing minimization step: 1340. Total energy = 12811.7330 kcal/mol (12807.4326 without restraints) Performing minimization step: 1341. Total energy = 12804.8577 kcal/mol (12800.5586 without restraints) Performing minimization step: 1342. Total energy = 12797.9908 kcal/mol (12793.6931 without restraints) Performing minimization step: 1343. Total energy = 12791.1311 kcal/mol (12786.8348 without restraints) Performing minimization step: 1344. Total energy = 12784.2794 kcal/mol (12779.9845 without restraints) Performing minimization step: 1345. Total energy = 12777.4356 kcal/mol (12773.1421 without restraints) Performing minimization step: 1346. Total energy = 12770.6000 kcal/mol (12766.3080 without restraints) Performing minimization step: 1347. Total energy = 12763.7722 kcal/mol (12759.4816 without restraints) Performing minimization step: 1348. Total energy = 12756.9526 kcal/mol (12752.6633 without restraints) Performing minimization step: 1349. Total energy = 12750.1409 kcal/mol (12745.8531 without restraints) Performing minimization step: 1350. Total energy = 12743.3368 kcal/mol (12739.0504 without restraints) Performing minimization step: 1351. Total energy = 12736.5405 kcal/mol (12732.2555 without restraints) Performing minimization step: 1352. Total energy = 12729.7524 kcal/mol (12725.4688 without restraints) Performing minimization step: 1353. Total energy = 12722.9713 kcal/mol (12718.6891 without restraints) Performing minimization step: 1354. Total energy = 12716.1987 kcal/mol (12711.9179 without restraints) Performing minimization step: 1355. Total energy = 12709.4335 kcal/mol (12705.1540 without restraints) Performing minimization step: 1356. Total energy = 12702.6764 kcal/mol (12698.3983 without restraints) Performing minimization step: 1357. Total energy = 12695.9269 kcal/mol (12691.6502 without restraints) Performing minimization step: 1358. Total energy = 12689.1855 kcal/mol (12684.9102 without restraints) Performing minimization step: 1359. Total energy = 12682.4517 kcal/mol (12678.1778 without restraints) Performing minimization step: 1360. Total energy = 12675.7259 kcal/mol (12671.4534 without restraints) Performing minimization step: 1361. Total energy = 12669.0075 kcal/mol (12664.7363 without restraints) Performing minimization step: 1362. Total energy = 12662.2970 kcal/mol (12658.0272 without restraints) Performing minimization step: 1363. Total energy = 12655.5940 kcal/mol (12651.3257 without restraints) Performing minimization step: 1364. Total energy = 12648.8990 kcal/mol (12644.6320 without restraints) Performing minimization step: 1365. Total energy = 12642.2116 kcal/mol (12637.9459 without restraints) Performing minimization step: 1366. Total energy = 12635.5313 kcal/mol (12631.2671 without restraints) Performing minimization step: 1367. Total energy = 12628.8591 kcal/mol (12624.5963 without restraints) Performing minimization step: 1368. Total energy = 12622.1948 kcal/mol (12617.9332 without restraints) Performing minimization step: 1369. Total energy = 12615.5376 kcal/mol (12611.2776 without restraints) Performing minimization step: 1370. Total energy = 12608.8878 kcal/mol (12604.6291 without restraints) Performing minimization step: 1371. Total energy = 12602.2460 kcal/mol (12597.9886 without restraints) Performing minimization step: 1372. Total energy = 12595.6117 kcal/mol (12591.3557 without restraints) Performing minimization step: 1373. Total energy = 12588.9852 kcal/mol (12584.7306 without restraints) Performing minimization step: 1374. Total energy = 12582.3667 kcal/mol (12578.1136 without restraints) Performing minimization step: 1375. Total energy = 12575.7551 kcal/mol (12571.5033 without restraints) Performing minimization step: 1376. Total energy = 12569.1511 kcal/mol (12564.9006 without restraints) Performing minimization step: 1377. Total energy = 12562.5546 kcal/mol (12558.3055 without restraints) Performing minimization step: 1378. Total energy = 12555.9654 kcal/mol (12551.7177 without restraints) Performing minimization step: 1379. Total energy = 12549.3842 kcal/mol (12545.1379 without restraints) Performing minimization step: 1380. Total energy = 12542.8102 kcal/mol (12538.5652 without restraints) Performing minimization step: 1381. Total energy = 12536.2437 kcal/mol (12532.0000 without restraints) Performing minimization step: 1382. Total energy = 12529.6849 kcal/mol (12525.4426 without restraints) Performing minimization step: 1383. Total energy = 12523.1335 kcal/mol (12518.8925 without restraints) Performing minimization step: 1384. Total energy = 12516.5890 kcal/mol (12512.3494 without restraints) Performing minimization step: 1385. Total energy = 12510.0520 kcal/mol (12505.8138 without restraints) Performing minimization step: 1386. Total energy = 12503.5226 kcal/mol (12499.2858 without restraints) Performing minimization step: 1387. Total energy = 12497.0009 kcal/mol (12492.7654 without restraints) Performing minimization step: 1388. Total energy = 12490.4864 kcal/mol (12486.2523 without restraints) Performing minimization step: 1389. Total energy = 12483.9792 kcal/mol (12479.7464 without restraints) Performing minimization step: 1390. Total energy = 12477.4793 kcal/mol (12473.2478 without restraints) Performing minimization step: 1391. Total energy = 12470.9865 kcal/mol (12466.7564 without restraints) Performing minimization step: 1392. Total energy = 12464.5012 kcal/mol (12460.2725 without restraints) Performing minimization step: 1393. Total energy = 12458.0230 kcal/mol (12453.7956 without restraints) Performing minimization step: 1394. Total energy = 12451.5524 kcal/mol (12447.3266 without restraints) Performing minimization step: 1395. Total energy = 12445.0893 kcal/mol (12440.8647 without restraints) Performing minimization step: 1396. Total energy = 12438.6334 kcal/mol (12434.4101 without restraints) Performing minimization step: 1397. Total energy = 12432.1848 kcal/mol (12427.9627 without restraints) Performing minimization step: 1398. Total energy = 12425.7430 kcal/mol (12421.5223 without restraints) Performing minimization step: 1399. Total energy = 12419.3089 kcal/mol (12415.0896 without restraints) Performing minimization step: 1400. Total energy = 12412.8819 kcal/mol (12408.6638 without restraints) Writing PDB file: /home/ubuntu/rna-tools/rna_tools/tools/webserver-engine/media/jobs/4d7f5969/tmp/C8MA2_refx/C8MA2_refx.pdb ...Done. Performing minimization step: 1401. Total energy = 12406.4620 kcal/mol (12402.2454 without restraints) Performing minimization step: 1402. Total energy = 12400.0497 kcal/mol (12395.8345 without restraints) Performing minimization step: 1403. Total energy = 12393.6443 kcal/mol (12389.4304 without restraints) Performing minimization step: 1404. Total energy = 12387.2464 kcal/mol (12383.0339 without restraints) Performing minimization step: 1405. Total energy = 12380.8560 kcal/mol (12376.6448 without restraints) Performing minimization step: 1406. Total energy = 12374.4717 kcal/mol (12370.2618 without restraints) Performing minimization step: 1407. Total energy = 12368.0951 kcal/mol (12363.8866 without restraints) Performing minimization step: 1408. Total energy = 12361.7257 kcal/mol (12357.5185 without restraints) Performing minimization step: 1409. Total energy = 12355.3634 kcal/mol (12351.1575 without restraints) Performing minimization step: 1410. Total energy = 12349.0082 kcal/mol (12344.8036 without restraints) Performing minimization step: 1411. Total energy = 12342.6602 kcal/mol (12338.4568 without restraints) Performing minimization step: 1412. Total energy = 12336.3191 kcal/mol (12332.1172 without restraints) Performing minimization step: 1413. Total energy = 12329.9855 kcal/mol (12325.7849 without restraints) Performing minimization step: 1414. Total energy = 12323.6587 kcal/mol (12319.4595 without restraints) Performing minimization step: 1415. Total energy = 12317.3390 kcal/mol (12313.1411 without restraints) Performing minimization step: 1416. Total energy = 12311.0257 kcal/mol (12306.8291 without restraints) Performing minimization step: 1417. Total energy = 12304.7195 kcal/mol (12300.5243 without restraints) Performing minimization step: 1418. Total energy = 12298.4209 kcal/mol (12294.2270 without restraints) Performing minimization step: 1419. Total energy = 12292.1291 kcal/mol (12287.9365 without restraints) Performing minimization step: 1420. Total energy = 12285.8447 kcal/mol (12281.6534 without restraints) Performing minimization step: 1421. Total energy = 12279.5674 kcal/mol (12275.3776 without restraints) Performing minimization step: 1422. Total energy = 12273.2969 kcal/mol (12269.1083 without restraints) Performing minimization step: 1423. Total energy = 12267.0333 kcal/mol (12262.8460 without restraints) Performing minimization step: 1424. Total energy = 12260.7773 kcal/mol (12256.5914 without restraints) Performing minimization step: 1425. Total energy = 12254.5274 kcal/mol (12250.3427 without restraints) Performing minimization step: 1426. Total energy = 12248.2847 kcal/mol (12244.1014 without restraints) Performing minimization step: 1427. Total energy = 12242.0491 kcal/mol (12237.8671 without restraints) Performing minimization step: 1428. Total energy = 12235.8200 kcal/mol (12231.6390 without restraints) Performing minimization step: 1429. Total energy = 12229.5980 kcal/mol (12225.4186 without restraints) Performing minimization step: 1430. Total energy = 12223.3826 kcal/mol (12219.2046 without restraints) Performing minimization step: 1431. Total energy = 12217.1743 kcal/mol (12212.9974 without restraints) Performing minimization step: 1432. Total energy = 12210.9728 kcal/mol (12206.7973 without restraints) Performing minimization step: 1433. Total energy = 12204.7784 kcal/mol (12200.6043 without restraints) Performing minimization step: 1434. Total energy = 12198.5909 kcal/mol (12194.4181 without restraints) Performing minimization step: 1435. Total energy = 12192.4103 kcal/mol (12188.2388 without restraints) Performing minimization step: 1436. Total energy = 12186.2369 kcal/mol (12182.0668 without restraints) Performing minimization step: 1437. Total energy = 12180.0701 kcal/mol (12175.9012 without restraints) Performing minimization step: 1438. Total energy = 12173.9098 kcal/mol (12169.7422 without restraints) Performing minimization step: 1439. Total energy = 12167.7559 kcal/mol (12163.5896 without restraints) Performing minimization step: 1440. Total energy = 12161.6089 kcal/mol (12157.4437 without restraints) Performing minimization step: 1441. Total energy = 12155.4689 kcal/mol (12151.3051 without restraints) Performing minimization step: 1442. Total energy = 12149.3359 kcal/mol (12145.1736 without restraints) Performing minimization step: 1443. Total energy = 12143.2090 kcal/mol (12139.0480 without restraints) Performing minimization step: 1444. Total energy = 12137.0893 kcal/mol (12132.9296 without restraints) Performing minimization step: 1445. Total energy = 12130.9759 kcal/mol (12126.8175 without restraints) Performing minimization step: 1446. Total energy = 12124.8696 kcal/mol (12120.7124 without restraints) Performing minimization step: 1447. Total energy = 12118.7704 kcal/mol (12114.6146 without restraints) Performing minimization step: 1448. Total energy = 12112.6776 kcal/mol (12108.5231 without restraints) Performing minimization step: 1449. Total energy = 12106.5912 kcal/mol (12102.4380 without restraints) Performing minimization step: 1450. Total energy = 12100.5117 kcal/mol (12096.3600 without restraints) Performing minimization step: 1451. Total energy = 12094.4389 kcal/mol (12090.2883 without restraints) Performing minimization step: 1452. Total energy = 12088.3726 kcal/mol (12084.2233 without restraints) Performing minimization step: 1453. Total energy = 12082.3127 kcal/mol (12078.1647 without restraints) Performing minimization step: 1454. Total energy = 12076.2598 kcal/mol (12072.1130 without restraints) Performing minimization step: 1455. Total energy = 12070.2133 kcal/mol (12066.0678 without restraints) Performing minimization step: 1456. Total energy = 12064.1736 kcal/mol (12060.0294 without restraints) Performing minimization step: 1457. Total energy = 12058.1408 kcal/mol (12053.9981 without restraints) Performing minimization step: 1458. Total energy = 12052.1144 kcal/mol (12047.9729 without restraints) Performing minimization step: 1459. Total energy = 12046.0949 kcal/mol (12041.9546 without restraints) Performing minimization step: 1460. Total energy = 12040.0817 kcal/mol (12035.9427 without restraints) Performing minimization step: 1461. Total energy = 12034.0748 kcal/mol (12029.9371 without restraints) Performing minimization step: 1462. Total energy = 12028.0744 kcal/mol (12023.9380 without restraints) Performing minimization step: 1463. Total energy = 12022.0807 kcal/mol (12017.9456 without restraints) Performing minimization step: 1464. Total energy = 12016.0935 kcal/mol (12011.9597 without restraints) Performing minimization step: 1465. Total energy = 12010.1128 kcal/mol (12005.9802 without restraints) Performing minimization step: 1466. Total energy = 12004.1393 kcal/mol (12000.0079 without restraints) Performing minimization step: 1467. Total energy = 11998.1713 kcal/mol (11994.0413 without restraints) Performing minimization step: 1468. Total energy = 11992.2103 kcal/mol (11988.0816 without restraints) Performing minimization step: 1469. Total energy = 11986.2555 kcal/mol (11982.1282 without restraints) Performing minimization step: 1470. Total energy = 11980.3080 kcal/mol (11976.1819 without restraints) Performing minimization step: 1471. Total energy = 11974.3665 kcal/mol (11970.2415 without restraints) Performing minimization step: 1472. Total energy = 11968.4313 kcal/mol (11964.3077 without restraints) Performing minimization step: 1473. Total energy = 11962.5023 kcal/mol (11958.3800 without restraints) Performing minimization step: 1474. Total energy = 11956.5797 kcal/mol (11952.4584 without restraints) Performing minimization step: 1475. Total energy = 11950.6637 kcal/mol (11946.5440 without restraints) Performing minimization step: 1476. Total energy = 11944.7542 kcal/mol (11940.6357 without restraints) Performing minimization step: 1477. Total energy = 11938.8511 kcal/mol (11934.7339 without restraints) Performing minimization step: 1478. Total energy = 11932.9543 kcal/mol (11928.8384 without restraints) Performing minimization step: 1479. Total energy = 11927.0640 kcal/mol (11922.9493 without restraints) Performing minimization step: 1480. Total energy = 11921.1800 kcal/mol (11917.0666 without restraints) Performing minimization step: 1481. Total energy = 11915.3023 kcal/mol (11911.1901 without restraints) Performing minimization step: 1482. Total energy = 11909.4310 kcal/mol (11905.3202 without restraints) Performing minimization step: 1483. Total energy = 11903.5657 kcal/mol (11899.4561 without restraints) Performing minimization step: 1484. Total energy = 11897.7072 kcal/mol (11893.5989 without restraints) Performing minimization step: 1485. Total energy = 11891.8552 kcal/mol (11887.7483 without restraints) Performing minimization step: 1486. Total energy = 11886.0098 kcal/mol (11881.9041 without restraints) Performing minimization step: 1487. Total energy = 11880.1698 kcal/mol (11876.0653 without restraints) Performing minimization step: 1488. Total energy = 11874.3364 kcal/mol (11870.2332 without restraints) Performing minimization step: 1489. Total energy = 11868.5093 kcal/mol (11864.4074 without restraints) Performing minimization step: 1490. Total energy = 11862.6885 kcal/mol (11858.5878 without restraints) Performing minimization step: 1491. Total energy = 11856.8741 kcal/mol (11852.7745 without restraints) Performing minimization step: 1492. Total energy = 11851.0656 kcal/mol (11846.9675 without restraints) Performing minimization step: 1493. Total energy = 11845.2641 kcal/mol (11841.1672 without restraints) Performing minimization step: 1494. Total energy = 11839.4680 kcal/mol (11835.3724 without restraints) Performing minimization step: 1495. Total energy = 11833.6786 kcal/mol (11829.5842 without restraints) Performing minimization step: 1496. Total energy = 11827.8954 kcal/mol (11823.8023 without restraints) Performing minimization step: 1497. Total energy = 11822.1182 kcal/mol (11818.0264 without restraints) Performing minimization step: 1498. Total energy = 11816.3469 kcal/mol (11812.2563 without restraints) Performing minimization step: 1499. Total energy = 11810.5824 kcal/mol (11806.4931 without restraints) Performing minimization step: 1500. Total energy = 11804.8238 kcal/mol (11800.7358 without restraints) Writing PDB file: /home/ubuntu/rna-tools/rna_tools/tools/webserver-engine/media/jobs/4d7f5969/tmp/C8MA2_refx/C8MA2_refx.pdb ...Done. Performing minimization step: 1501. Total energy = 11799.0712 kcal/mol (11794.9844 without restraints) Performing minimization step: 1502. Total energy = 11793.3247 kcal/mol (11789.2391 without restraints) Performing minimization step: 1503. Total energy = 11787.5849 kcal/mol (11783.5008 without restraints) Performing minimization step: 1504. Total energy = 11781.8511 kcal/mol (11777.7680 without restraints) Performing minimization step: 1505. Total energy = 11776.1230 kcal/mol (11772.0411 without restraints) Performing minimization step: 1506. Total energy = 11770.4012 kcal/mol (11766.3207 without restraints) Performing minimization step: 1507. Total energy = 11764.6857 kcal/mol (11760.6065 without restraints) Performing minimization step: 1508. Total energy = 11758.9758 kcal/mol (11754.8978 without restraints) Performing minimization step: 1509. Total energy = 11753.2724 kcal/mol (11749.1956 without restraints) Performing minimization step: 1510. Total energy = 11747.5754 kcal/mol (11743.4998 without restraints) Performing minimization step: 1511. Total energy = 11741.8841 kcal/mol (11737.8098 without restraints) Performing minimization step: 1512. Total energy = 11736.1989 kcal/mol (11732.1259 without restraints) Performing minimization step: 1513. Total energy = 11730.5199 kcal/mol (11726.4482 without restraints) Performing minimization step: 1514. Total energy = 11724.8469 kcal/mol (11720.7764 without restraints) Performing minimization step: 1515. Total energy = 11719.1799 kcal/mol (11715.1105 without restraints) Performing minimization step: 1516. Total energy = 11713.5188 kcal/mol (11709.4508 without restraints) Performing minimization step: 1517. Total energy = 11707.8638 kcal/mol (11703.7971 without restraints) Performing minimization step: 1518. Total energy = 11702.2148 kcal/mol (11698.1493 without restraints) Performing minimization step: 1519. Total energy = 11696.5716 kcal/mol (11692.5073 without restraints) Performing minimization step: 1520. Total energy = 11690.9347 kcal/mol (11686.8717 without restraints) Performing minimization step: 1521. Total energy = 11685.3037 kcal/mol (11681.2419 without restraints) Performing minimization step: 1522. Total energy = 11679.6793 kcal/mol (11675.6187 without restraints) Performing minimization step: 1523. Total energy = 11674.0602 kcal/mol (11670.0009 without restraints) Performing minimization step: 1524. Total energy = 11668.4471 kcal/mol (11664.3890 without restraints) Performing minimization step: 1525. Total energy = 11662.8400 kcal/mol (11658.7832 without restraints) Performing minimization step: 1526. Total energy = 11657.2388 kcal/mol (11653.1832 without restraints) Performing minimization step: 1527. Total energy = 11651.6432 kcal/mol (11647.5889 without restraints) Performing minimization step: 1528. Total energy = 11646.0536 kcal/mol (11642.0004 without restraints) Performing minimization step: 1529. Total energy = 11640.4699 kcal/mol (11636.4179 without restraints) Performing minimization step: 1530. Total energy = 11634.8927 kcal/mol (11630.8421 without restraints) Performing minimization step: 1531. Total energy = 11629.3211 kcal/mol (11625.2717 without restraints) Performing minimization step: 1532. Total energy = 11623.7553 kcal/mol (11619.7071 without restraints) Performing minimization step: 1533. Total energy = 11618.1954 kcal/mol (11614.1484 without restraints) Performing minimization step: 1534. Total energy = 11612.6411 kcal/mol (11608.5954 without restraints) Performing minimization step: 1535. Total energy = 11607.0930 kcal/mol (11603.0485 without restraints) Performing minimization step: 1536. Total energy = 11601.5507 kcal/mol (11597.5074 without restraints) Performing minimization step: 1537. Total energy = 11596.0144 kcal/mol (11591.9724 without restraints) Performing minimization step: 1538. Total energy = 11590.4841 kcal/mol (11586.4433 without restraints) Performing minimization step: 1539. Total energy = 11584.9592 kcal/mol (11580.9197 without restraints) Performing minimization step: 1540. Total energy = 11579.4404 kcal/mol (11575.4021 without restraints) Performing minimization step: 1541. Total energy = 11573.9267 kcal/mol (11569.8898 without restraints) Performing minimization step: 1542. Total energy = 11568.4194 kcal/mol (11564.3835 without restraints) Performing minimization step: 1543. Total energy = 11562.9173 kcal/mol (11558.8826 without restraints) Performing minimization step: 1544. Total energy = 11557.4207 kcal/mol (11553.3870 without restraints) Performing minimization step: 1545. Total energy = 11551.9303 kcal/mol (11547.8981 without restraints) Performing minimization step: 1546. Total energy = 11546.4458 kcal/mol (11542.4148 without restraints) Performing minimization step: 1547. Total energy = 11540.9673 kcal/mol (11536.9376 without restraints) Performing minimization step: 1548. Total energy = 11535.4946 kcal/mol (11531.4660 without restraints) Performing minimization step: 1549. Total energy = 11530.0279 kcal/mol (11526.0006 without restraints) Performing minimization step: 1550. Total energy = 11524.5666 kcal/mol (11520.5405 without restraints) Performing minimization step: 1551. Total energy = 11519.1110 kcal/mol (11515.0862 without restraints) Performing minimization step: 1552. Total energy = 11513.6616 kcal/mol (11509.6380 without restraints) Performing minimization step: 1553. Total energy = 11508.2175 kcal/mol (11504.1951 without restraints) Performing minimization step: 1554. Total energy = 11502.7793 kcal/mol (11498.7581 without restraints) Performing minimization step: 1555. Total energy = 11497.3465 kcal/mol (11493.3265 without restraints) Performing minimization step: 1556. Total energy = 11491.9193 kcal/mol (11487.9005 without restraints) Performing minimization step: 1557. Total energy = 11486.4979 kcal/mol (11482.4804 without restraints) Performing minimization step: 1558. Total energy = 11481.0822 kcal/mol (11477.0658 without restraints) Performing minimization step: 1559. Total energy = 11475.6717 kcal/mol (11471.6566 without restraints) Performing minimization step: 1560. Total energy = 11470.2669 kcal/mol (11466.2530 without restraints) Performing minimization step: 1561. Total energy = 11464.8680 kcal/mol (11460.8554 without restraints) Performing minimization step: 1562. Total energy = 11459.4749 kcal/mol (11455.4635 without restraints) Performing minimization step: 1563. Total energy = 11454.0878 kcal/mol (11450.0775 without restraints) Performing minimization step: 1564. Total energy = 11448.7058 kcal/mol (11444.6968 without restraints) Performing minimization step: 1565. Total energy = 11443.3294 kcal/mol (11439.3216 without restraints) Performing minimization step: 1566. Total energy = 11437.9587 kcal/mol (11433.9521 without restraints) Performing minimization step: 1567. Total energy = 11432.5933 kcal/mol (11428.5879 without restraints) Performing minimization step: 1568. Total energy = 11427.2339 kcal/mol (11423.2298 without restraints) Performing minimization step: 1569. Total energy = 11421.8797 kcal/mol (11417.8767 without restraints) Performing minimization step: 1570. Total energy = 11416.5314 kcal/mol (11412.5297 without restraints) Performing minimization step: 1571. Total energy = 11411.1884 kcal/mol (11407.1879 without restraints) Performing minimization step: 1572. Total energy = 11405.8512 kcal/mol (11401.8520 without restraints) Performing minimization step: 1573. Total energy = 11400.5193 kcal/mol (11396.5210 without restraints) Performing minimization step: 1574. Total energy = 11395.1933 kcal/mol (11391.1963 without restraints) Performing minimization step: 1575. Total energy = 11389.8726 kcal/mol (11385.8770 without restraints) Performing minimization step: 1576. Total energy = 11384.5574 kcal/mol (11380.5629 without restraints) Performing minimization step: 1577. Total energy = 11379.2475 kcal/mol (11375.2542 without restraints) Performing minimization step: 1578. Total energy = 11373.9431 kcal/mol (11369.9512 without restraints) Performing minimization step: 1579. Total energy = 11368.6445 kcal/mol (11364.6536 without restraints) Performing minimization step: 1580. Total energy = 11363.3513 kcal/mol (11359.3616 without restraints) Performing minimization step: 1581. Total energy = 11358.0635 kcal/mol (11354.0750 without restraints) Performing minimization step: 1582. Total energy = 11352.7812 kcal/mol (11348.7939 without restraints) Performing minimization step: 1583. Total energy = 11347.5040 kcal/mol (11343.5179 without restraints) Performing minimization step: 1584. Total energy = 11342.2331 kcal/mol (11338.2482 without restraints) Performing minimization step: 1585. Total energy = 11336.9671 kcal/mol (11332.9833 without restraints) Performing minimization step: 1586. Total energy = 11331.7067 kcal/mol (11327.7242 without restraints) Performing minimization step: 1587. Total energy = 11326.4516 kcal/mol (11322.4705 without restraints) Performing minimization step: 1588. Total energy = 11321.2025 kcal/mol (11317.2225 without restraints) Performing minimization step: 1589. Total energy = 11315.9583 kcal/mol (11311.9794 without restraints) Performing minimization step: 1590. Total energy = 11310.7194 kcal/mol (11306.7415 without restraints) Performing minimization step: 1591. Total energy = 11305.4858 kcal/mol (11301.5093 without restraints) Performing minimization step: 1592. Total energy = 11300.2575 kcal/mol (11296.2822 without restraints) Performing minimization step: 1593. Total energy = 11295.0348 kcal/mol (11291.0607 without restraints) Performing minimization step: 1594. Total energy = 11289.8176 kcal/mol (11285.8447 without restraints) Performing minimization step: 1595. Total energy = 11284.6057 kcal/mol (11280.6340 without restraints) Performing minimization step: 1596. Total energy = 11279.3988 kcal/mol (11275.4283 without restraints) Performing minimization step: 1597. Total energy = 11274.1977 kcal/mol (11270.2284 without restraints) Performing minimization step: 1598. Total energy = 11269.0017 kcal/mol (11265.0336 without restraints) Performing minimization step: 1599. Total energy = 11263.8111 kcal/mol (11259.8441 without restraints) Performing minimization step: 1600. Total energy = 11258.6259 kcal/mol (11254.6601 without restraints) Writing PDB file: /home/ubuntu/rna-tools/rna_tools/tools/webserver-engine/media/jobs/4d7f5969/tmp/C8MA2_refx/C8MA2_refx.pdb ...Done. Performing minimization step: 1601. Total energy = 11253.4456 kcal/mol (11249.4810 without restraints) Performing minimization step: 1602. Total energy = 11248.2714 kcal/mol (11244.3080 without restraints) Performing minimization step: 1603. Total energy = 11243.1023 kcal/mol (11239.1401 without restraints) Performing minimization step: 1604. Total energy = 11237.9388 kcal/mol (11233.9777 without restraints) Performing minimization step: 1605. Total energy = 11232.7800 kcal/mol (11228.8201 without restraints) Performing minimization step: 1606. Total energy = 11227.6264 kcal/mol (11223.6678 without restraints) Performing minimization step: 1607. Total energy = 11222.4785 kcal/mol (11218.5210 without restraints) Performing minimization step: 1608. Total energy = 11217.3350 kcal/mol (11213.3788 without restraints) Performing minimization step: 1609. Total energy = 11212.1972 kcal/mol (11208.2421 without restraints) Performing minimization step: 1610. Total energy = 11207.0648 kcal/mol (11203.1109 without restraints) Performing minimization step: 1611. Total energy = 11201.9377 kcal/mol (11197.9850 without restraints) Performing minimization step: 1612. Total energy = 11196.8159 kcal/mol (11192.8644 without restraints) Performing minimization step: 1613. Total energy = 11191.6992 kcal/mol (11187.7488 without restraints) Performing minimization step: 1614. Total energy = 11186.5877 kcal/mol (11182.6385 without restraints) Performing minimization step: 1615. Total energy = 11181.4818 kcal/mol (11177.5338 without restraints) Performing minimization step: 1616. Total energy = 11176.3806 kcal/mol (11172.4338 without restraints) Performing minimization step: 1617. Total energy = 11171.2847 kcal/mol (11167.3391 without restraints) Performing minimization step: 1618. Total energy = 11166.1939 kcal/mol (11162.2495 without restraints) Performing minimization step: 1619. Total energy = 11161.1082 kcal/mol (11157.1649 without restraints) Performing minimization step: 1620. Total energy = 11156.0277 kcal/mol (11152.0856 without restraints) Performing minimization step: 1621. Total energy = 11150.9527 kcal/mol (11147.0118 without restraints) Performing minimization step: 1622. Total energy = 11145.8831 kcal/mol (11141.9434 without restraints) Performing minimization step: 1623. Total energy = 11140.8184 kcal/mol (11136.8798 without restraints) Performing minimization step: 1624. Total energy = 11135.7588 kcal/mol (11131.8211 without restraints) Performing minimization step: 1625. Total energy = 11130.7038 kcal/mol (11126.7673 without restraints) Performing minimization step: 1626. Total energy = 11125.6537 kcal/mol (11121.7185 without restraints) Performing minimization step: 1627. Total energy = 11120.6096 kcal/mol (11116.6760 without restraints) Performing minimization step: 1628. Total energy = 11115.5708 kcal/mol (11111.6381 without restraints) Performing minimization step: 1629. Total energy = 11110.5368 kcal/mol (11106.6053 without restraints) Performing minimization step: 1630. Total energy = 11105.5077 kcal/mol (11101.5774 without restraints) Performing minimization step: 1631. Total energy = 11100.4836 kcal/mol (11096.5544 without restraints) Performing minimization step: 1632. Total energy = 11095.4645 kcal/mol (11091.5365 without restraints) Performing minimization step: 1633. Total energy = 11090.4505 kcal/mol (11086.5236 without restraints) Performing minimization step: 1634. Total energy = 11085.4419 kcal/mol (11081.5163 without restraints) Performing minimization step: 1635. Total energy = 11080.4380 kcal/mol (11076.5136 without restraints) Performing minimization step: 1636. Total energy = 11075.4391 kcal/mol (11071.5159 without restraints) Performing minimization step: 1637. Total energy = 11070.4455 kcal/mol (11066.5233 without restraints) Performing minimization step: 1638. Total energy = 11065.4571 kcal/mol (11061.5361 without restraints) Performing minimization step: 1639. Total energy = 11060.4734 kcal/mol (11056.5535 without restraints) Performing minimization step: 1640. Total energy = 11055.4951 kcal/mol (11051.5766 without restraints) Performing minimization step: 1641. Total energy = 11050.5218 kcal/mol (11046.6043 without restraints) Performing minimization step: 1642. Total energy = 11045.5532 kcal/mol (11041.6368 without restraints) Performing minimization step: 1643. Total energy = 11040.5897 kcal/mol (11036.6746 without restraints) Performing minimization step: 1644. Total energy = 11035.6313 kcal/mol (11031.7173 without restraints) Performing minimization step: 1645. Total energy = 11030.6778 kcal/mol (11026.7650 without restraints) Performing minimization step: 1646. Total energy = 11025.7294 kcal/mol (11021.8178 without restraints) Performing minimization step: 1647. Total energy = 11020.7859 kcal/mol (11016.8753 without restraints) Performing minimization step: 1648. Total energy = 11015.8471 kcal/mol (11011.9377 without restraints) Performing minimization step: 1649. Total energy = 11010.9136 kcal/mol (11007.0054 without restraints) Performing minimization step: 1650. Total energy = 11005.9847 kcal/mol (11002.0777 without restraints) Performing minimization step: 1651. Total energy = 11001.0611 kcal/mol (10997.1553 without restraints) Performing minimization step: 1652. Total energy = 10996.1426 kcal/mol (10992.2379 without restraints) Performing minimization step: 1653. Total energy = 10991.2290 kcal/mol (10987.3255 without restraints) Performing minimization step: 1654. Total energy = 10986.3200 kcal/mol (10982.4176 without restraints) Performing minimization step: 1655. Total energy = 10981.4164 kcal/mol (10977.5152 without restraints) Performing minimization step: 1656. Total energy = 10976.5176 kcal/mol (10972.6175 without restraints) Performing minimization step: 1657. Total energy = 10971.6238 kcal/mol (10967.7250 without restraints) Performing minimization step: 1658. Total energy = 10966.7346 kcal/mol (10962.8369 without restraints) Performing minimization step: 1659. Total energy = 10961.8503 kcal/mol (10957.9538 without restraints) Performing minimization step: 1660. Total energy = 10956.9709 kcal/mol (10953.0755 without restraints) Performing minimization step: 1661. Total energy = 10952.0966 kcal/mol (10948.2025 without restraints) Performing minimization step: 1662. Total energy = 10947.2269 kcal/mol (10943.3336 without restraints) Performing minimization step: 1663. Total energy = 10942.3621 kcal/mol (10938.4701 without restraints) Performing minimization step: 1664. Total energy = 10937.5021 kcal/mol (10933.6113 without restraints) Performing minimization step: 1665. Total energy = 10932.6473 kcal/mol (10928.7577 without restraints) Performing minimization step: 1666. Total energy = 10927.7970 kcal/mol (10923.9085 without restraints) Performing minimization step: 1667. Total energy = 10922.9515 kcal/mol (10919.0642 without restraints) Performing minimization step: 1668. Total energy = 10918.1110 kcal/mol (10914.2248 without restraints) Performing minimization step: 1669. Total energy = 10913.2751 kcal/mol (10909.3899 without restraints) Performing minimization step: 1670. Total energy = 10908.4439 kcal/mol (10904.5599 without restraints) Performing minimization step: 1671. Total energy = 10903.6180 kcal/mol (10899.7353 without restraints) Performing minimization step: 1672. Total energy = 10898.7967 kcal/mol (10894.9151 without restraints) Performing minimization step: 1673. Total energy = 10893.9801 kcal/mol (10890.0996 without restraints) Performing minimization step: 1674. Total energy = 10889.1683 kcal/mol (10885.2889 without restraints) Performing minimization step: 1675. Total energy = 10884.3612 kcal/mol (10880.4831 without restraints) Performing minimization step: 1676. Total energy = 10879.5591 kcal/mol (10875.6821 without restraints) Performing minimization step: 1677. Total energy = 10874.7612 kcal/mol (10870.8852 without restraints) Performing minimization step: 1678. Total energy = 10869.9683 kcal/mol (10866.0935 without restraints) Performing minimization step: 1679. Total energy = 10865.1804 kcal/mol (10861.3068 without restraints) Performing minimization step: 1680. Total energy = 10860.3973 kcal/mol (10856.5247 without restraints) Performing minimization step: 1681. Total energy = 10855.6183 kcal/mol (10851.7470 without restraints) Performing minimization step: 1682. Total energy = 10850.8444 kcal/mol (10846.9741 without restraints) Performing minimization step: 1683. Total energy = 10846.0750 kcal/mol (10842.2060 without restraints) Performing minimization step: 1684. Total energy = 10841.3103 kcal/mol (10837.4423 without restraints) Performing minimization step: 1685. Total energy = 10836.5504 kcal/mol (10832.6836 without restraints) Performing minimization step: 1686. Total energy = 10831.7955 kcal/mol (10827.9298 without restraints) Performing minimization step: 1687. Total energy = 10827.0447 kcal/mol (10823.1803 without restraints) Performing minimization step: 1688. Total energy = 10822.2992 kcal/mol (10818.4360 without restraints) Performing minimization step: 1689. Total energy = 10817.5584 kcal/mol (10813.6962 without restraints) Performing minimization step: 1690. Total energy = 10812.8222 kcal/mol (10808.9611 without restraints) Performing minimization step: 1691. Total energy = 10808.0908 kcal/mol (10804.2311 without restraints) Performing minimization step: 1692. Total energy = 10803.3641 kcal/mol (10799.5054 without restraints) Performing minimization step: 1693. Total energy = 10798.6418 kcal/mol (10794.7842 without restraints) Performing minimization step: 1694. Total energy = 10793.9243 kcal/mol (10790.0679 without restraints) Performing minimization step: 1695. Total energy = 10789.2112 kcal/mol (10785.3558 without restraints) Performing minimization step: 1696. Total energy = 10784.5028 kcal/mol (10780.6485 without restraints) Performing minimization step: 1697. Total energy = 10779.7990 kcal/mol (10775.9459 without restraints) Performing minimization step: 1698. Total energy = 10775.1000 kcal/mol (10771.2480 without restraints) Performing minimization step: 1699. Total energy = 10770.4054 kcal/mol (10766.5546 without restraints) Performing minimization step: 1700. Total energy = 10765.7155 kcal/mol (10761.8659 without restraints) Writing PDB file: /home/ubuntu/rna-tools/rna_tools/tools/webserver-engine/media/jobs/4d7f5969/tmp/C8MA2_refx/C8MA2_refx.pdb ...Done. Performing minimization step: 1701. Total energy = 10761.0302 kcal/mol (10757.1816 without restraints) Performing minimization step: 1702. Total energy = 10756.3495 kcal/mol (10752.5021 without restraints) Performing minimization step: 1703. Total energy = 10751.6729 kcal/mol (10747.8266 without restraints) Performing minimization step: 1704. Total energy = 10747.0013 kcal/mol (10743.1562 without restraints) Performing minimization step: 1705. Total energy = 10742.3344 kcal/mol (10738.4903 without restraints) Performing minimization step: 1706. Total energy = 10737.6716 kcal/mol (10733.8287 without restraints) Performing minimization step: 1707. Total energy = 10733.0138 kcal/mol (10729.1720 without restraints) Performing minimization step: 1708. Total energy = 10728.3611 kcal/mol (10724.5205 without restraints) Performing minimization step: 1709. Total energy = 10723.7124 kcal/mol (10719.8729 without restraints) Performing minimization step: 1710. Total energy = 10719.0679 kcal/mol (10715.2295 without restraints) Performing minimization step: 1711. Total energy = 10714.4280 kcal/mol (10710.5907 without restraints) Performing minimization step: 1712. Total energy = 10709.7930 kcal/mol (10705.9568 without restraints) Performing minimization step: 1713. Total energy = 10705.1628 kcal/mol (10701.3278 without restraints) Performing minimization step: 1714. Total energy = 10700.5366 kcal/mol (10696.7029 without restraints) Performing minimization step: 1715. Killed /home/ubuntu/rna-tools//opt/qrnas/ Save to C8MA2_refx.pdb DONE!