============================================================================= Reading config file: /home/ubuntu/rna-tools/rna_tools/tools/webserver-engine/media/jobs/50163f44/tmp/CPMA3_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/50163f44/tmp/CPMA3_refx/CPMA3.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 735 'H5' DC A 24 ... failed. Atom erased. Error: recognition of atom ATOM 739 1H2' DC A 24 ... failed. Atom erased. Error: recognition of atom ATOM 740 2H2' DC A 24 ... failed. Atom erased. Error: recognition of atom ATOM 768 'H5' DG A 25 ... failed. Atom erased. Error: recognition of atom ATOM 772 1H2' DG A 25 ... failed. Atom erased. Error: recognition of atom ATOM 773 2H2' DG A 25 ... failed. Atom erased. Error: recognition of atom ATOM 800 'H5' DA A 26 ... failed. Atom erased. Error: recognition of atom ATOM 804 1H2' DA A 26 ... failed. Atom erased. Error: recognition of atom ATOM 805 2H2' DA A 26 ... failed. Atom erased. Error: recognition of atom ATOM 830 'H5' DC A 27 ... failed. Atom erased. Error: recognition of atom ATOM 834 1H2' DC A 27 ... failed. Atom erased. Error: recognition of atom ATOM 835 2H2' DC A 27 ... failed. Atom erased. Error: recognition of atom ATOM 860 'H5' DC A 28 ... failed. Atom erased. Error: recognition of atom ATOM 864 1H2' DC A 28 ... failed. Atom erased. Error: recognition of atom ATOM 865 2H2' DC A 28 ... failed. Atom erased. Error: recognition of atom ATOM 890 'H5' DC A 29 ... failed. Atom erased. Error: recognition of atom ATOM 894 1H2' DC A 29 ... failed. Atom erased. Error: recognition of atom ATOM 895 2H2' DC A 29 ... failed. Atom erased. Error: recognition of atom ATOM 922 'H5' DA A 30 ... failed. Atom erased. Error: recognition of atom ATOM 926 1H2' DA A 30 ... failed. Atom erased. Error: recognition of atom ATOM 927 2H2' DA A 30 ... failed. Atom erased. Error: recognition of atom ATOM 949 C5M DT A 31 ... failed. Atom erased. Error: recognition of atom ATOM 953 HN3 DT A 31 ... failed. Atom erased. Error: recognition of atom ATOM 954 1HM5 DT A 31 ... failed. Atom erased. Error: recognition of atom ATOM 955 2HM5 DT A 31 ... failed. Atom erased. Error: recognition of atom ATOM 956 3HM5 DT A 31 ... failed. Atom erased. Error: recognition of atom ATOM 984 'H5' DG A 32 ... failed. Atom erased. Error: recognition of atom ATOM 988 1H2' DG A 32 ... failed. Atom erased. Error: recognition of atom ATOM 989 2H2' DG A 32 ... failed. Atom erased. Error: recognition of atom ATOM 1016 'H5' DA A 33 ... failed. Atom erased. Error: recognition of atom ATOM 1020 1H2' DA A 33 ... failed. Atom erased. Error: recognition of atom ATOM 1021 2H2' DA A 33 ... failed. Atom erased. Error: recognition of atom ATOM 1049 'H5' DG A 34 ... failed. Atom erased. Error: recognition of atom ATOM 1053 1H2' DG A 34 ... failed. Atom erased. Error: recognition of atom ATOM 1054 2H2' DG A 34 ... failed. Atom erased. Error: recognition of atom ATOM 1076 C5M DT A 35 ... failed. Atom erased. Error: recognition of atom ATOM 1080 HN3 DT A 35 ... failed. Atom erased. Error: recognition of atom ATOM 1081 1HM5 DT A 35 ... failed. Atom erased. Error: recognition of atom ATOM 1082 2HM5 DT A 35 ... failed. Atom erased. Error: recognition of atom ATOM 1083 3HM5 DT A 35 ... failed. Atom erased. Error: recognition of atom ATOM 1105 C5M DT A 36 ... failed. Atom erased. Error: recognition of atom ATOM 1109 HN3 DT A 36 ... failed. Atom erased. Error: recognition of atom ATOM 1110 1HM5 DT A 36 ... failed. Atom erased. Error: recognition of atom ATOM 1111 2HM5 DT A 36 ... failed. Atom erased. Error: recognition of atom ATOM 1112 3HM5 DT A 36 ... failed. Atom erased. Error: recognition of atom ATOM 1139 'H5' DA A 37 ... failed. Atom erased. Error: recognition of atom ATOM 1143 1H2' DA A 37 ... failed. Atom erased. Error: recognition of atom ATOM 1144 2H2' DA A 37 ... failed. Atom erased. Error: recognition of atom ATOM 1172 'H5' DG A 38 ... failed. Atom erased. Error: recognition of atom ATOM 1176 1H2' DG A 38 ... failed. Atom erased. Error: recognition of atom ATOM 1177 2H2' DG A 38 ... failed. Atom erased. Error: recognition of atom ATOM 1204 'H5' DA A 39 ... failed. Atom erased. Error: recognition of atom ATOM 1208 1H2' DA A 39 ... failed. Atom erased. Error: recognition of atom ATOM 1209 2H2' DA A 39 ... failed. Atom erased. Error: recognition of atom ATOM 1236 'H5' DA A 40 ... failed. Atom erased. Error: recognition of atom ATOM 1240 1H2' DA A 40 ... failed. Atom erased. Error: recognition of atom ATOM 1241 2H2' DA A 40 ... failed. Atom erased. Error: recognition of atom ATOM 1266 'H5' DC A 41 ... failed. Atom erased. Error: recognition of atom ATOM 1270 1H2' DC A 41 ... failed. Atom erased. Error: recognition of atom ATOM 1271 2H2' DC A 41 ... failed. Atom erased. Error: recognition of atom ATOM 1296 'H5' DC A 42 ... failed. Atom erased. Error: recognition of atom ATOM 1300 1H2' DC A 42 ... failed. Atom erased. Error: recognition of atom ATOM 1301 2H2' DC A 42 ... failed. Atom erased. Error: recognition of atom ATOM 1329 'H5' DG A 43 ... failed. Atom erased. Error: recognition of atom ATOM 1333 1H2' DG A 43 ... failed. Atom erased. Error: recognition of atom ATOM 1334 2H2' DG A 43 ... failed. Atom erased. Error: recognition of atom ATOM 1361 'H5' DA A 44 ... failed. Atom erased. Error: recognition of atom ATOM 1365 1H2' DA A 44 ... failed. Atom erased. Error: recognition of atom ATOM 1366 2H2' DA A 44 ... failed. Atom erased. Error: recognition of atom ATOM 1393 'H5' DA A 45 ... failed. Atom erased. Error: recognition of atom ATOM 1397 1H2' DA A 45 ... failed. Atom erased. Error: recognition of atom ATOM 1398 2H2' DA A 45 ... failed. Atom erased. Error: recognition of atom ATOM 1425 'H5' DA A 46 ... failed. Atom erased. Error: recognition of atom ATOM 1429 1H2' DA A 46 ... failed. Atom erased. Error: recognition of atom ATOM 1430 2H2' DA A 46 ... failed. Atom erased. Error: recognition of atom ATOM 1452 C5M DT A 47 ... failed. Atom erased. Error: recognition of atom ATOM 1456 HN3 DT A 47 ... failed. Atom erased. Error: recognition of atom ATOM 1457 1HM5 DT A 47 ... failed. Atom erased. Error: recognition of atom ATOM 1458 2HM5 DT A 47 ... failed. Atom erased. Error: recognition of atom ATOM 1459 3HM5 DT A 47 ... failed. Atom erased. Error: recognition of atom ATOM 1487 'H5' DG A 48 ... failed. Atom erased. Error: recognition of atom ATOM 1491 1H2' DG A 48 ... failed. Atom erased. Error: recognition of atom ATOM 1492 2H2' DG A 48 ... failed. Atom erased. Error: recognition of atom ATOM 1520 'H5' DG A 49 ... failed. Atom erased. Error: recognition of atom ATOM 1524 1H2' DG A 49 ... failed. Atom erased. Error: recognition of atom ATOM 1525 2H2' DG A 49 ... failed. Atom erased. Error: recognition of atom ATOM 1547 C5M DT A 50 ... failed. Atom erased. Error: recognition of atom ATOM 1551 HN3 DT A 50 ... failed. Atom erased. Error: recognition of atom ATOM 1552 1HM5 DT A 50 ... failed. Atom erased. Error: recognition of atom ATOM 1553 2HM5 DT A 50 ... failed. Atom erased. Error: recognition of atom ATOM 1554 3HM5 DT A 50 ... failed. Atom erased. Error: recognition of atom ATOM 1581 'H5' DA A 51 ... failed. Atom erased. Error: recognition of atom ATOM 1585 1H2' DA A 51 ... failed. Atom erased. Error: recognition of atom ATOM 1586 2H2' DA A 51 ... failed. Atom erased. Error: recognition of atom ATOM 1613 'H5' DA A 52 ... failed. Atom erased. Error: recognition of atom ATOM 1617 1H2' DA A 52 ... failed. Atom erased. Error: recognition of atom ATOM 1618 2H2' DA A 52 ... failed. Atom erased. Error: recognition of atom ATOM 1646 'H5' DG A 53 ... failed. Atom erased. Error: recognition of atom ATOM 1650 1H2' DG A 53 ... failed. Atom erased. Error: recognition of atom ATOM 1651 2H2' DG A 53 ... failed. Atom erased. Error: recognition of atom ATOM 1679 'H5' DG A 54 ... failed. Atom erased. Error: recognition of atom ATOM 1683 1H2' DG A 54 ... failed. Atom erased. Error: recognition of atom ATOM 1684 2H2' DG A 54 ... failed. Atom erased. Error: recognition of atom ATOM 1712 'H5' DG A 55 ... failed. Atom erased. Error: recognition of atom ATOM 1716 1H2' DG A 55 ... failed. Atom erased. Error: recognition of atom ATOM 1717 2H2' DG A 55 ... failed. Atom erased. Error: recognition of atom ATOM 1744 'H5' DA A 56 ... failed. Atom erased. Error: recognition of atom ATOM 1748 1H2' DA A 56 ... failed. Atom erased. Error: recognition of atom ATOM 1749 2H2' DA A 56 ... failed. Atom erased. Error: recognition of atom ATOM 1771 C5M DT A 57 ... failed. Atom erased. Error: recognition of atom ATOM 1775 HN3 DT A 57 ... failed. Atom erased. Error: recognition of atom ATOM 1776 1HM5 DT A 57 ... failed. Atom erased. Error: recognition of atom ATOM 1777 2HM5 DT A 57 ... failed. Atom erased. Error: recognition of atom ATOM 1778 3HM5 DT A 57 ... failed. Atom erased. Error: recognition of atom ATOM 1800 C5M DT A 58 ... failed. Atom erased. Error: recognition of atom ATOM 1804 HN3 DT A 58 ... failed. Atom erased. Error: recognition of atom ATOM 1805 1HM5 DT A 58 ... failed. Atom erased. Error: recognition of atom ATOM 1806 2HM5 DT A 58 ... failed. Atom erased. Error: recognition of atom ATOM 1807 3HM5 DT A 58 ... failed. Atom erased. Error: recognition of atom ATOM 1834 'H5' DA A 59 ... failed. Atom erased. Error: recognition of atom ATOM 1838 1H2' DA A 59 ... failed. Atom erased. Error: recognition of atom ATOM 1839 2H2' DA A 59 ... failed. Atom erased. Error: recognition of atom ATOM 1867 'H5' DG A 60 ... failed. Atom erased. Error: recognition of atom ATOM 1871 1H2' DG A 60 ... failed. Atom erased. Error: recognition of atom ATOM 1872 2H2' DG A 60 ... failed. Atom erased. Error: recognition of atom ATOM 1894 C5M DT A 61 ... failed. Atom erased. Error: recognition of atom ATOM 1898 HN3 DT A 61 ... failed. Atom erased. Error: recognition of atom ATOM 1899 1HM5 DT A 61 ... failed. Atom erased. Error: recognition of atom ATOM 1900 2HM5 DT A 61 ... failed. Atom erased. Error: recognition of atom ATOM 1901 3HM5 DT A 61 ... failed. Atom erased. Error: recognition of atom ATOM 1926 'H5' DC A 62 ... failed. Atom erased. Error: recognition of atom ATOM 1930 1H2' DC A 62 ... failed. Atom erased. Error: recognition of atom ATOM 1931 2H2' DC A 62 ... failed. Atom erased. Error: recognition of atom ATOM 1959 'H5' DG A 63 ... failed. Atom erased. Error: recognition of atom ATOM 1963 1H2' DG A 63 ... failed. Atom erased. Error: recognition of atom ATOM 1964 2H2' DG A 63 ... failed. Atom erased. Error: recognition of atom ATOM 1991 'H5' DA A 64 ... failed. Atom erased. Error: recognition of atom ATOM 1995 1H2' DA A 64 ... failed. Atom erased. Error: recognition of atom ATOM 1996 2H2' DA A 64 ... failed. Atom erased. Error: recognition of atom ATOM 2021 'H5' DC A 65 ... failed. Atom erased. Error: recognition of atom ATOM 2025 1H2' DC A 65 ... failed. Atom erased. Error: recognition of atom ATOM 2026 2H2' DC A 65 ... failed. Atom erased. Error: recognition of atom ATOM 2054 'H5' DG A 66 ... failed. Atom erased. Error: recognition of atom ATOM 2058 1H2' DG A 66 ... failed. Atom erased. Error: recognition of atom ATOM 2059 2H2' DG A 66 ... failed. Atom erased. Error: recognition of atom ATOM 2086 'H5' DA A 67 ... failed. Atom erased. Error: recognition of atom ATOM 2090 1H2' DA A 67 ... failed. Atom erased. Error: recognition of atom ATOM 2091 2H2' DA A 67 ... failed. Atom erased. Error: recognition of atom ATOM 2119 'H5' DG A 68 ... failed. Atom erased. Error: recognition of atom ATOM 2123 1H2' DG A 68 ... failed. Atom erased. Error: recognition of atom ATOM 2124 2H2' DG A 68 ... failed. Atom erased. Error: recognition of atom ATOM 2152 'H5' DG A 69 ... failed. Atom erased. Error: recognition of atom ATOM 2156 1H2' DG A 69 ... failed. Atom erased. Error: recognition of atom ATOM 2157 2H2' DG A 69 ... failed. Atom erased. Error: recognition of atom ATOM 2179 C5M DT A 70 ... failed. Atom erased. Error: recognition of atom ATOM 2183 HN3 DT A 70 ... failed. Atom erased. Error: recognition of atom ATOM 2184 1HM5 DT A 70 ... failed. Atom erased. Error: recognition of atom ATOM 2185 2HM5 DT A 70 ... failed. Atom erased. Error: recognition of atom ATOM 2186 3HM5 DT A 70 ... failed. Atom erased. Error: recognition of atom ATOM 2211 'H5' DC A 71 ... failed. Atom erased. Error: recognition of atom ATOM 2215 1H2' DC A 71 ... failed. Atom erased. Error: recognition of atom ATOM 2216 2H2' DC A 71 ... failed. Atom erased. Error: recognition of atom ATOM 2238 C5M DT A 72 ... failed. Atom erased. Error: recognition of atom ATOM 2242 HN3 DT A 72 ... failed. Atom erased. Error: recognition of atom ATOM 2243 1HM5 DT A 72 ... failed. Atom erased. Error: recognition of atom ATOM 2244 2HM5 DT A 72 ... failed. Atom erased. Error: recognition of atom ATOM 2245 3HM5 DT A 72 ... failed. Atom erased. Error: recognition of atom ATOM 2272 'H5' DA A 73 ... failed. Atom erased. Error: recognition of atom ATOM 2276 1H2' DA A 73 ... failed. Atom erased. Error: recognition of atom ATOM 2277 2H2' DA A 73 ... failed. Atom erased. Error: recognition of atom ATOM 2305 'H5' DG A 74 ... failed. Atom erased. Error: recognition of atom ATOM 2309 1H2' DG A 74 ... failed. Atom erased. Error: recognition of atom ATOM 2310 2H2' DG A 74 ... failed. Atom erased. Error: recognition of atom ATOM 2337 'H5' DA A 75 ... failed. Atom erased. Error: recognition of atom ATOM 2341 1H2' DA A 75 ... failed. Atom erased. Error: recognition of atom ATOM 2342 2H2' DA A 75 ... failed. Atom erased. Error: recognition of atom ATOM 2369 'H5' DA A 76 ... failed. Atom erased. Error: recognition of atom ATOM 2373 1H2' DA A 76 ... failed. Atom erased. Error: recognition of atom ATOM 2374 2H2' DA A 76 ... failed. Atom erased. Error: recognition of atom ATOM 2396 C5M DT A 77 ... failed. Atom erased. Error: recognition of atom ATOM 2400 HN3 DT A 77 ... failed. Atom erased. Error: recognition of atom ATOM 2401 1HM5 DT A 77 ... failed. Atom erased. Error: recognition of atom ATOM 2402 2HM5 DT A 77 ... failed. Atom erased. Error: recognition of atom ATOM 2403 3HM5 DT A 77 ... failed. Atom erased. Error: recognition of atom ATOM 2430 'H5' DA A 78 ... failed. Atom erased. Error: recognition of atom ATOM 2434 1H2' DA A 78 ... failed. Atom erased. Error: recognition of atom ATOM 2435 2H2' DA A 78 ... failed. Atom erased. Error: recognition of atom ATOM 2460 'H5' DC A 79 ... failed. Atom erased. Error: recognition of atom ATOM 2464 1H2' DC A 79 ... failed. Atom erased. Error: recognition of atom ATOM 2465 2H2' DC A 79 ... failed. Atom erased. Error: recognition of atom ATOM 2490 'H5' DC A 80 ... failed. Atom erased. Error: recognition of atom ATOM 2494 1H2' DC A 80 ... failed. Atom erased. Error: recognition of atom ATOM 2495 2H2' DC A 80 ... failed. Atom erased. Error: recognition of atom ATOM 2522 'H5' DA A 81 ... failed. Atom erased. Error: recognition of atom ATOM 2526 1H2' DA A 81 ... failed. Atom erased. Error: recognition of atom ATOM 2527 2H2' DA A 81 ... failed. Atom erased. Error: recognition of atom ATOM 2555 'H5' DG A 82 ... failed. Atom erased. Error: recognition of atom ATOM 2556 'HO3 DG A 82 ... failed. Atom erased. Error: recognition of atom ATOM 2560 1H2' DG A 82 ... failed. Atom erased. Error: recognition of atom ATOM 2561 2H2' DG A 82 ... failed. Atom erased. Missing atom added: HETATM 1 P DA A 1 0.628 1.041 -2.536 1.00 0.00 P Missing atom added: HETATM 24 H5'2 DA A 1 2.063 -0.624 -0.586 1.00 0.00 H Missing atom added: HETATM 11 H2'2 DA A 1 2.146 -0.158 3.823 1.00 0.00 H Missing atom added: HETATM 27 H2' DA A 1 0.148 -0.225 3.817 1.00 0.00 H Missing atom added: HETATM 22 H5'2 DT A 2 0.330 -4.191 4.166 1.00 0.00 H Missing atom added: HETATM 25 H2' DT A 2 -3.354 -3.212 6.652 1.00 0.00 H Missing atom added: HETATM 26 H2'2 DT A 2 -3.095 -4.801 7.359 1.00 0.00 H Missing atom added: HETATM 28 H3 DT A 2 -6.673 -0.573 4.679 1.00 0.00 H Missing atom added: HETATM 19 C7 DT A 2 -3.873 -2.497 1.542 1.00 0.00 C Missing atom added: HETATM 30 H72 DT A 2 -3.754 -1.613 0.915 1.00 0.00 H Missing atom added: HETATM 29 H71 DT A 2 -4.675 -3.120 1.141 1.00 0.00 H Missing atom added: HETATM 31 H73 DT A 2 -2.943 -3.065 1.544 1.00 0.00 H Missing atom added: HETATM 24 H5'2 DA A 3 -3.941 -7.901 7.737 1.00 0.00 H Missing atom added: HETATM 11 H2'2 DA A 3 -7.936 -7.331 9.482 1.00 0.00 H Missing atom added: HETATM 27 H2' DA A 3 -8.439 -7.392 7.548 1.00 0.00 H Missing atom added: HETATM 25 H5'2 DG A 4 -8.985 -11.087 7.833 1.00 0.00 H Missing atom added: HETATM 11 H2'2 DG A 4 -13.098 -9.531 7.428 1.00 0.00 H Missing atom added: HETATM 28 H2' DG A 4 -12.829 -9.834 5.470 1.00 0.00 H Missing atom added: HETATM 22 H5'2 DC A 5 -14.374 -13.624 5.004 1.00 0.00 H Missing atom added: HETATM 11 H2'2 DC A 5 -17.114 -12.067 1.832 1.00 0.00 H Missing atom added: HETATM 25 H2' DC A 5 -15.449 -12.173 0.731 1.00 0.00 H Missing atom added: HETATM 24 H5'2 DA A 6 -16.828 -15.712 -0.275 1.00 0.00 H Missing atom added: HETATM 11 H2'2 DA A 6 -18.061 -14.368 -4.277 1.00 0.00 H Missing atom added: HETATM 27 H2' DA A 6 -16.131 -14.679 -4.698 1.00 0.00 H Missing atom added: HETATM 22 H5'2 DT A 7 -16.817 -18.291 -5.591 1.00 0.00 H Missing atom added: HETATM 25 H2' DT A 7 -13.188 -16.495 -7.958 1.00 0.00 H Missing atom added: HETATM 26 H2'2 DT A 7 -13.574 -17.713 -9.167 1.00 0.00 H Missing atom added: HETATM 28 H3 DT A 7 -9.769 -14.369 -5.862 1.00 0.00 H Missing atom added: HETATM 19 C7 DT A 7 -11.940 -17.201 -2.949 1.00 0.00 C Missing atom added: HETATM 30 H72 DT A 7 -12.028 -16.486 -2.133 1.00 0.00 H Missing atom added: HETATM 29 H71 DT A 7 -11.042 -17.804 -2.809 1.00 0.00 H Missing atom added: HETATM 31 H73 DT A 7 -12.814 -17.852 -2.956 1.00 0.00 H Missing atom added: HETATM 25 H5'2 DG A 8 -13.024 -20.596 -10.764 1.00 0.00 H Missing atom added: HETATM 11 H2'2 DG A 8 -9.451 -19.566 -13.036 1.00 0.00 H Missing atom added: HETATM 28 H2' DG A 8 -8.553 -20.197 -11.365 1.00 0.00 H Missing atom added: HETATM 24 H5'2 DA A 9 -8.258 -23.729 -12.742 1.00 0.00 H Missing atom added: HETATM 11 H2'2 DA A 9 -4.079 -22.587 -12.762 1.00 0.00 H Missing atom added: HETATM 27 H2' DA A 9 -4.022 -23.285 -10.889 1.00 0.00 H Missing atom added: HETATM 24 H5'2 DA A 10 -2.938 -26.783 -11.946 1.00 0.00 H Missing atom added: HETATM 11 H2'2 DA A 10 0.697 -25.713 -9.782 1.00 0.00 H Missing atom added: HETATM 27 H2' DA A 10 -0.219 -26.472 -8.174 1.00 0.00 H Missing atom added: HETATM 22 H5'2 DT A 11 1.087 -30.141 -8.680 1.00 0.00 H Missing atom added: HETATM 25 H2' DT A 11 0.389 -28.922 -4.199 1.00 0.00 H Missing atom added: HETATM 26 H2'2 DT A 11 1.397 -30.307 -3.802 1.00 0.00 H Missing atom added: HETATM 28 H3 DT A 11 -3.215 -27.945 -2.290 1.00 0.00 H Missing atom added: HETATM 19 C7 DT A 11 -4.084 -28.640 -6.778 1.00 0.00 C Missing atom added: HETATM 30 H72 DT A 11 -4.850 -27.866 -6.851 1.00 0.00 H Missing atom added: HETATM 29 H71 DT A 11 -4.567 -29.607 -6.612 1.00 0.00 H Missing atom added: HETATM 31 H73 DT A 11 -3.524 -28.678 -7.714 1.00 0.00 H Missing atom added: HETATM 22 H5'2 DT A 12 2.014 -34.226 -3.629 1.00 0.00 H Missing atom added: HETATM 25 H2' DT A 12 -0.243 -33.231 0.269 1.00 0.00 H Missing atom added: HETATM 26 H2'2 DT A 12 0.291 -34.820 0.801 1.00 0.00 H Missing atom added: HETATM 28 H3 DT A 12 -4.346 -31.281 0.200 1.00 0.00 H Missing atom added: HETATM 19 C7 DT A 12 -2.912 -32.222 -4.091 1.00 0.00 C Missing atom added: HETATM 30 H72 DT A 12 -3.154 -31.261 -4.538 1.00 0.00 H Missing atom added: HETATM 29 H71 DT A 12 -3.734 -32.918 -4.244 1.00 0.00 H Missing atom added: HETATM 31 H73 DT A 12 -2.006 -32.619 -4.541 1.00 0.00 H Missing atom added: HETATM 22 H5'2 DC A 13 -0.103 -37.996 1.270 1.00 0.00 H Missing atom added: HETATM 11 H2'2 DC A 13 -2.612 -37.120 5.036 1.00 0.00 H Missing atom added: HETATM 25 H2' DC A 13 -4.106 -37.223 3.712 1.00 0.00 H Missing atom added: HETATM 22 H5'2 DC A 14 -4.774 -41.205 4.146 1.00 0.00 H Missing atom added: HETATM 11 H2'2 DC A 14 -9.069 -40.410 5.071 1.00 0.00 H Missing atom added: HETATM 25 H2' DC A 14 -9.276 -40.512 3.085 1.00 0.00 H Missing atom added: HETATM 22 H5'2 DC A 15 -10.221 -44.285 3.617 1.00 0.00 H Missing atom added: HETATM 11 H2'2 DC A 15 -14.457 -43.640 2.537 1.00 0.00 H Missing atom added: HETATM 25 H2' DC A 15 -13.755 -43.840 0.676 1.00 0.00 H Missing atom added: HETATM 25 H5'2 DG A 16 -14.341 -47.442 0.311 1.00 0.00 H Missing atom added: HETATM 11 H2'2 DG A 16 -17.179 -46.164 -2.745 1.00 0.00 H Missing atom added: HETATM 28 H2' DG A 16 -15.643 -46.448 -3.993 1.00 0.00 H Missing atom added: HETATM 24 H5'2 DA A 17 -16.501 -50.053 -4.807 1.00 0.00 H Missing atom added: HETATM 11 H2'2 DA A 17 -16.987 -48.461 -8.786 1.00 0.00 H Missing atom added: HETATM 27 H2' DA A 17 -15.048 -48.877 -9.039 1.00 0.00 H Missing atom added: HETATM 24 H5'2 DA A 18 -15.541 -52.393 -10.475 1.00 0.00 H Missing atom added: HETATM 11 H2'2 DA A 18 -13.684 -50.651 -13.993 1.00 0.00 H Missing atom added: HETATM 27 H2' DA A 18 -11.945 -51.199 -13.175 1.00 0.00 H Missing atom added: HETATM 25 H5'2 DG A 19 -11.651 -54.658 -14.835 1.00 0.00 H Missing atom added: HETATM 11 H2'2 DG A 19 -8.035 -53.119 -16.611 1.00 0.00 H Missing atom added: HETATM 28 H2' DG A 19 -7.099 -53.782 -14.973 1.00 0.00 H Missing atom added: HETATM 24 H5'2 DA A 20 -6.256 -57.409 -16.198 1.00 0.00 H Missing atom added: HETATM 11 H2'2 DA A 20 -2.197 -55.975 -15.883 1.00 0.00 H Missing atom added: HETATM 27 H2' DA A 20 -2.293 -56.523 -13.963 1.00 0.00 H Missing atom added: HETATM 22 H5'2 DC A 21 -0.584 -60.320 -15.024 1.00 0.00 H Missing atom added: HETATM 11 H2'2 DC A 21 2.827 -58.892 -12.251 1.00 0.00 H Missing atom added: HETATM 25 H2' DC A 21 1.617 -59.430 -10.753 1.00 0.00 H Missing atom added: HETATM 25 H5'2 DG A 22 3.778 -62.648 -10.822 1.00 0.00 H Missing atom added: HETATM 11 H2'2 DG A 22 4.939 -60.293 -7.061 1.00 0.00 H Missing atom added: HETATM 28 H2' DG A 22 3.327 -61.088 -6.184 1.00 0.00 H Missing atom added: HETATM 22 H5'2 DC A 23 6.310 -64.433 -4.922 1.00 0.00 H Missing atom added: HETATM 11 H2'2 DC A 23 4.749 -62.479 -0.902 1.00 0.00 H Missing atom added: HETATM 25 H2' DC A 23 3.067 -63.531 -1.148 1.00 0.00 H Missing atom added: HETATM 22 H5'2 DC A 24 2.801 -67.271 0.011 1.00 0.00 H Missing atom added: HETATM 11 H2'2 DC A 24 1.178 -65.879 3.482 1.00 0.00 H Missing atom added: HETATM 25 H2' DC A 24 -0.090 -66.908 2.328 1.00 0.00 H Missing atom added: HETATM 25 H5'2 DG A 25 0.277 -70.082 4.816 1.00 0.00 H Missing atom added: HETATM 11 H2'2 DG A 25 -3.822 -69.723 6.260 1.00 0.00 H Missing atom added: HETATM 28 H2' DG A 25 -4.196 -70.948 4.725 1.00 0.00 H Missing atom added: HETATM 24 H5'2 DA A 26 -3.658 -74.552 6.747 1.00 0.00 H Missing atom added: HETATM 11 H2'2 DA A 26 -6.375 -73.422 7.486 1.00 0.00 H Missing atom added: HETATM 27 H2' DA A 26 -7.103 -74.392 5.896 1.00 0.00 H Missing atom added: HETATM 22 H5'2 DC A 27 -7.596 -78.851 6.893 1.00 0.00 H Missing atom added: HETATM 11 H2'2 DC A 27 -10.388 -79.150 3.472 1.00 0.00 H Missing atom added: HETATM 25 H2' DC A 27 -8.832 -79.675 2.331 1.00 0.00 H Missing atom added: HETATM 22 H5'2 DC A 28 -9.869 -83.996 3.767 1.00 0.00 H Missing atom added: HETATM 11 H2'2 DC A 28 -11.638 -84.615 -0.343 1.00 0.00 H Missing atom added: HETATM 25 H2' DC A 28 -9.754 -84.620 -1.010 1.00 0.00 H Missing atom added: HETATM 22 H5'2 DC A 29 -9.671 -88.912 -0.432 1.00 0.00 H Missing atom added: HETATM 11 H2'2 DC A 29 -10.686 -90.227 -4.519 1.00 0.00 H Missing atom added: HETATM 25 H2' DC A 29 -8.803 -89.648 -4.857 1.00 0.00 H Missing atom added: HETATM 24 H5'2 DA A 30 -8.098 -93.482 -4.091 1.00 0.00 H Missing atom added: HETATM 11 H2'2 DA A 30 -8.485 -94.823 -8.193 1.00 0.00 H Missing atom added: HETATM 27 H2' DA A 30 -6.763 -93.842 -8.459 1.00 0.00 H Missing atom added: HETATM 22 H5'2 DT A 31 -4.962 -97.248 -7.705 1.00 0.00 H Missing atom added: HETATM 25 H2' DT A 31 -3.054 -94.415 -11.004 1.00 0.00 H Missing atom added: HETATM 26 H2'2 DT A 31 -2.135 -95.834 -11.490 1.00 0.00 H Missing atom added: HETATM 28 H3 DT A 31 -2.335 -90.067 -10.744 1.00 0.00 H Missing atom added: HETATM 19 C7 DT A 31 -2.443 -92.019 -6.564 1.00 0.00 C Missing atom added: HETATM 30 H72 DT A 31 -3.120 -91.296 -6.110 1.00 0.00 H Missing atom added: HETATM 29 H71 DT A 31 -1.411 -91.725 -6.364 1.00 0.00 H Missing atom added: HETATM 31 H73 DT A 31 -2.627 -93.004 -6.137 1.00 0.00 H Missing atom added: HETATM 25 H5'2 DG A 32 0.609 -98.386 -10.970 1.00 0.00 H Missing atom added: HETATM 11 H2'2 DG A 32 1.479 -96.132 -14.857 1.00 0.00 H Missing atom added: HETATM 28 H2' DG A 32 2.330 -94.711 -13.737 1.00 0.00 H Missing atom added: HETATM 24 H5'2 DA A 33 6.091 -97.612 -14.350 1.00 0.00 H Missing atom added: HETATM 11 H2'2 DA A 33 6.397 -94.287 -17.603 1.00 0.00 H Missing atom added: HETATM 27 H2' DA A 33 6.871 -93.022 -16.129 1.00 0.00 H Missing atom added: HETATM 25 H5'2 DG A 34 10.854 -94.388 -17.489 1.00 0.00 H Missing atom added: HETATM 11 H2'2 DG A 34 10.277 -90.078 -19.096 1.00 0.00 H Missing atom added: HETATM 28 H2' DG A 34 10.733 -89.432 -17.259 1.00 0.00 H Missing atom added: HETATM 22 H5'2 DT A 35 14.993 -90.366 -19.511 1.00 0.00 H Missing atom added: HETATM 25 H2' DT A 35 13.145 -85.885 -18.328 1.00 0.00 H Missing atom added: HETATM 26 H2'2 DT A 35 14.519 -85.144 -19.138 1.00 0.00 H Missing atom added: HETATM 28 H3 DT A 35 11.399 -84.520 -14.748 1.00 0.00 H Missing atom added: HETATM 19 C7 DT A 35 13.300 -88.656 -14.057 1.00 0.00 C Missing atom added: HETATM 30 H72 DT A 35 12.477 -89.075 -13.481 1.00 0.00 H Missing atom added: HETATM 29 H71 DT A 35 14.048 -88.243 -13.380 1.00 0.00 H Missing atom added: HETATM 31 H73 DT A 35 13.753 -89.436 -14.666 1.00 0.00 H Missing atom added: HETATM 22 H5'2 DT A 36 18.118 -84.869 -20.730 1.00 0.00 H Missing atom added: HETATM 25 H2' DT A 36 15.331 -80.971 -19.456 1.00 0.00 H Missing atom added: HETATM 26 H2'2 DT A 36 16.654 -79.977 -20.053 1.00 0.00 H Missing atom added: HETATM 28 H3 DT A 36 11.990 -81.535 -16.177 1.00 0.00 H Missing atom added: HETATM 19 C7 DT A 36 15.661 -84.270 -15.580 1.00 0.00 C Missing atom added: HETATM 30 H72 DT A 36 15.105 -85.203 -15.487 1.00 0.00 H Missing atom added: HETATM 29 H71 DT A 36 15.861 -83.867 -14.586 1.00 0.00 H Missing atom added: HETATM 31 H73 DT A 36 16.607 -84.463 -16.086 1.00 0.00 H Missing atom added: HETATM 24 H5'2 DA A 37 20.638 -79.276 -20.443 1.00 0.00 H Missing atom added: HETATM 11 H2'2 DA A 37 18.503 -75.032 -21.046 1.00 0.00 H Missing atom added: HETATM 27 H2' DA A 37 18.405 -74.866 -19.056 1.00 0.00 H Missing atom added: HETATM 25 H5'2 DG A 38 22.065 -72.618 -19.762 1.00 0.00 H Missing atom added: HETATM 11 H2'2 DG A 38 19.515 -68.997 -19.016 1.00 0.00 H Missing atom added: HETATM 28 H2' DG A 38 19.510 -69.521 -17.086 1.00 0.00 H Missing atom added: HETATM 24 H5'2 DA A 39 23.315 -67.223 -17.322 1.00 0.00 H Missing atom added: HETATM 11 H2'2 DA A 39 20.907 -63.520 -16.826 1.00 0.00 H Missing atom added: HETATM 27 H2' DA A 39 20.741 -64.121 -14.927 1.00 0.00 H Missing atom added: HETATM 24 H5'2 DA A 40 24.563 -61.727 -14.456 1.00 0.00 H Missing atom added: HETATM 11 H2'2 DA A 40 23.049 -58.117 -12.633 1.00 0.00 H Missing atom added: HETATM 27 H2' DA A 40 22.848 -59.268 -11.011 1.00 0.00 H Missing atom added: HETATM 22 H5'2 DC A 41 26.005 -58.310 -9.244 1.00 0.00 H Missing atom added: HETATM 11 H2'2 DC A 41 23.165 -58.054 -5.683 1.00 0.00 H Missing atom added: HETATM 25 H2' DC A 41 23.583 -59.993 -5.438 1.00 0.00 H Missing atom added: HETATM 22 H5'2 DC A 42 26.422 -58.548 -2.840 1.00 0.00 H Missing atom added: HETATM 11 H2'2 DC A 42 24.204 -59.862 0.672 1.00 0.00 H Missing atom added: HETATM 25 H2' DC A 42 24.674 -61.725 0.121 1.00 0.00 H Missing atom added: HETATM 25 H5'2 DG A 43 30.098 -62.166 -1.123 1.00 0.00 H Missing atom added: HETATM 11 H2'2 DG A 43 27.061 -64.632 0.887 1.00 0.00 H Missing atom added: HETATM 28 H2' DG A 43 27.602 -66.116 -0.338 1.00 0.00 H Missing atom added: HETATM 24 H5'2 DA A 44 33.014 -66.648 -1.394 1.00 0.00 H Missing atom added: HETATM 11 H2'2 DA A 44 32.392 -71.384 -1.088 1.00 0.00 H Missing atom added: HETATM 27 H2' DA A 44 30.605 -71.478 -0.198 1.00 0.00 H Missing atom added: HETATM 24 H5'2 DA A 45 27.711 -71.876 -2.590 1.00 0.00 H Missing atom added: HETATM 11 H2'2 DA A 45 27.526 -74.732 -1.141 1.00 0.00 H Missing atom added: HETATM 27 H2' DA A 45 26.042 -73.763 -0.217 1.00 0.00 H Missing atom added: HETATM 24 H5'2 DA A 46 22.575 -75.228 -3.431 1.00 0.00 H Missing atom added: HETATM 11 H2'2 DA A 46 20.939 -75.865 0.824 1.00 0.00 H Missing atom added: HETATM 27 H2' DA A 46 20.460 -73.926 0.919 1.00 0.00 H Missing atom added: HETATM 22 H5'2 DT A 47 17.178 -74.851 -1.774 1.00 0.00 H Missing atom added: HETATM 25 H2' DT A 47 18.151 -77.519 -1.116 1.00 0.00 H Missing atom added: HETATM 26 H2'2 DT A 47 17.402 -78.167 0.338 1.00 0.00 H Missing atom added: HETATM 28 H3 DT A 47 15.570 -82.405 -0.530 1.00 0.00 H Missing atom added: HETATM 19 C7 DT A 47 17.921 -80.865 -4.172 1.00 0.00 C Missing atom added: HETATM 30 H72 DT A 47 17.304 -81.321 -4.944 1.00 0.00 H Missing atom added: HETATM 29 H71 DT A 47 18.756 -81.526 -3.934 1.00 0.00 H Missing atom added: HETATM 31 H73 DT A 47 18.305 -79.911 -4.529 1.00 0.00 H Missing atom added: HETATM 25 H5'2 DG A 48 17.482 -72.420 1.020 1.00 0.00 H Missing atom added: HETATM 11 H2'2 DG A 48 17.524 -69.622 2.527 1.00 0.00 H Missing atom added: HETATM 28 H2' DG A 48 17.650 -68.423 0.933 1.00 0.00 H Missing atom added: HETATM 25 H5'2 DG A 49 13.891 -67.224 0.574 1.00 0.00 H Missing atom added: HETATM 11 H2'2 DG A 49 15.689 -63.314 0.966 1.00 0.00 H Missing atom added: HETATM 28 H2' DG A 49 15.854 -63.338 -1.026 1.00 0.00 H Missing atom added: HETATM 22 H5'2 DT A 50 12.572 -61.380 -0.939 1.00 0.00 H Missing atom added: HETATM 25 H2' DT A 50 15.720 -60.349 -4.479 1.00 0.00 H Missing atom added: HETATM 26 H2'2 DT A 50 14.762 -58.887 -4.675 1.00 0.00 H Missing atom added: HETATM 28 H3 DT A 50 17.468 -62.864 -7.334 1.00 0.00 H Missing atom added: HETATM 19 C7 DT A 50 14.734 -65.529 -4.823 1.00 0.00 C Missing atom added: HETATM 30 H72 DT A 50 15.444 -66.357 -4.783 1.00 0.00 H Missing atom added: HETATM 29 H71 DT A 50 14.037 -65.694 -5.649 1.00 0.00 H Missing atom added: HETATM 31 H73 DT A 50 14.175 -65.490 -3.887 1.00 0.00 H Missing atom added: HETATM 24 H5'2 DA A 51 11.719 -56.420 -4.911 1.00 0.00 H Missing atom added: HETATM 11 H2'2 DA A 51 13.466 -53.630 -7.629 1.00 0.00 H Missing atom added: HETATM 27 H2' DA A 51 12.828 -54.846 -9.081 1.00 0.00 H Missing atom added: HETATM 24 H5'2 DA A 52 9.522 -52.824 -9.336 1.00 0.00 H Missing atom added: HETATM 11 H2'2 DA A 52 11.213 -51.199 -12.943 1.00 0.00 H Missing atom added: HETATM 27 H2' DA A 52 10.392 -52.780 -13.851 1.00 0.00 H Missing atom added: HETATM 25 H5'2 DG A 53 7.163 -50.887 -14.649 1.00 0.00 H Missing atom added: HETATM 11 H2'2 DG A 53 8.567 -51.131 -18.709 1.00 0.00 H Missing atom added: HETATM 28 H2' DG A 53 7.676 -52.918 -18.808 1.00 0.00 H Missing atom added: HETATM 25 H5'2 DG A 54 3.777 -51.384 -19.949 1.00 0.00 H Missing atom added: HETATM 11 H2'2 DG A 54 4.377 -54.209 -23.369 1.00 0.00 H Missing atom added: HETATM 28 H2' DG A 54 3.806 -55.713 -22.181 1.00 0.00 H Missing atom added: HETATM 25 H5'2 DG A 55 -0.010 -55.455 -23.561 1.00 0.00 H Missing atom added: HETATM 11 H2'2 DG A 55 0.842 -59.469 -25.165 1.00 0.00 H Missing atom added: HETATM 28 H2' DG A 55 0.565 -60.162 -23.311 1.00 0.00 H Missing atom added: HETATM 24 H5'2 DA A 56 -2.984 -61.080 -24.314 1.00 0.00 H Missing atom added: HETATM 11 H2'2 DA A 56 -1.349 -65.139 -23.604 1.00 0.00 H Missing atom added: HETATM 27 H2' DA A 56 -1.826 -64.883 -21.680 1.00 0.00 H Missing atom added: HETATM 22 H5'2 DT A 57 -4.881 -66.688 -23.201 1.00 0.00 H Missing atom added: HETATM 25 H2' DT A 57 -2.968 -67.200 -18.621 1.00 0.00 H Missing atom added: HETATM 26 H2'2 DT A 57 -3.525 -68.869 -18.611 1.00 0.00 H Missing atom added: HETATM 28 H3 DT A 57 -3.045 -64.649 -15.224 1.00 0.00 H Missing atom added: HETATM 19 C7 DT A 57 -5.047 -62.275 -18.598 1.00 0.00 C Missing atom added: HETATM 30 H72 DT A 57 -4.520 -61.332 -18.419 1.00 0.00 H Missing atom added: HETATM 29 H71 DT A 57 -6.007 -62.247 -18.068 1.00 0.00 H Missing atom added: HETATM 31 H73 DT A 57 -5.245 -62.367 -19.671 1.00 0.00 H Missing atom added: HETATM 22 H5'2 DT A 58 -5.690 -71.973 -19.144 1.00 0.00 H Missing atom added: HETATM 25 H2' DT A 58 -4.380 -69.849 -14.765 1.00 0.00 H Missing atom added: HETATM 26 H2'2 DT A 58 -4.648 -71.396 -13.970 1.00 0.00 H Missing atom added: HETATM 28 H3 DT A 58 -5.735 -66.497 -12.781 1.00 0.00 H Missing atom added: HETATM 19 C7 DT A 58 -7.766 -66.691 -16.910 1.00 0.00 C Missing atom added: HETATM 30 H72 DT A 58 -7.708 -65.612 -17.082 1.00 0.00 H Missing atom added: HETATM 29 H71 DT A 58 -8.752 -66.927 -16.492 1.00 0.00 H Missing atom added: HETATM 31 H73 DT A 58 -7.665 -67.204 -17.872 1.00 0.00 H Missing atom added: HETATM 24 H5'2 DA A 59 -5.862 -74.978 -13.302 1.00 0.00 H Missing atom added: HETATM 11 H2'2 DA A 59 -4.605 -75.448 -9.103 1.00 0.00 H Missing atom added: HETATM 27 H2' DA A 59 -6.503 -74.922 -8.761 1.00 0.00 H Missing atom added: HETATM 25 H5'2 DG A 60 -8.195 -75.572 -9.224 1.00 0.00 H Missing atom added: HETATM 11 H2'2 DG A 60 -12.096 -77.269 -7.502 1.00 0.00 H Missing atom added: HETATM 28 H2' DG A 60 -11.257 -75.998 -6.207 1.00 0.00 H Missing atom added: HETATM 22 H5'2 DT A 61 -13.505 -72.349 -7.818 1.00 0.00 H Missing atom added: HETATM 25 H2' DT A 61 -12.495 -72.396 -3.610 1.00 0.00 H Missing atom added: HETATM 26 H2'2 DT A 61 -13.608 -71.042 -3.458 1.00 0.00 H Missing atom added: HETATM 28 H3 DT A 61 -8.938 -72.269 -1.287 1.00 0.00 H Missing atom added: HETATM 19 C7 DT A 61 -8.022 -73.290 -5.674 1.00 0.00 C Missing atom added: HETATM 30 H72 DT A 61 -7.395 -74.159 -5.460 1.00 0.00 H Missing atom added: HETATM 29 H71 DT A 61 -7.381 -72.415 -5.816 1.00 0.00 H Missing atom added: HETATM 31 H73 DT A 61 -8.579 -73.473 -6.596 1.00 0.00 H Missing atom added: HETATM 22 H5'2 DC A 62 -15.046 -67.822 -3.914 1.00 0.00 H Missing atom added: HETATM 11 H2'2 DC A 62 -13.590 -67.820 0.307 1.00 0.00 H Missing atom added: HETATM 25 H2' DC A 62 -11.909 -66.980 -0.374 1.00 0.00 H Missing atom added: HETATM 25 H5'2 DG A 63 -12.462 -65.105 -0.249 1.00 0.00 H Missing atom added: HETATM 11 H2'2 DG A 63 -9.581 -62.722 1.821 1.00 0.00 H Missing atom added: HETATM 28 H2' DG A 63 -8.307 -62.407 0.313 1.00 0.00 H Missing atom added: HETATM 24 H5'2 DA A 64 -10.833 -58.384 1.052 1.00 0.00 H Missing atom added: HETATM 11 H2'2 DA A 64 -6.852 -57.632 3.657 1.00 0.00 H Missing atom added: HETATM 27 H2' DA A 64 -5.836 -57.299 1.968 1.00 0.00 H Missing atom added: HETATM 22 H5'2 DC A 65 -6.201 -53.107 2.209 1.00 0.00 H Missing atom added: HETATM 11 H2'2 DC A 65 -1.614 -53.421 1.919 1.00 0.00 H Missing atom added: HETATM 25 H2' DC A 65 -1.860 -53.707 -0.044 1.00 0.00 H Missing atom added: HETATM 25 H5'2 DG A 66 -0.853 -50.087 -0.641 1.00 0.00 H Missing atom added: HETATM 11 H2'2 DG A 66 2.660 -51.302 -3.144 1.00 0.00 H Missing atom added: HETATM 28 H2' DG A 66 1.212 -51.249 -4.521 1.00 0.00 H Missing atom added: HETATM 24 H5'2 DA A 67 -1.010 -45.620 -2.677 1.00 0.00 H Missing atom added: HETATM 11 H2'2 DA A 67 -1.805 -43.157 0.677 1.00 0.00 H Missing atom added: HETATM 27 H2' DA A 67 0.104 -43.553 1.119 1.00 0.00 H Missing atom added: HETATM 25 H5'2 DG A 68 1.117 -40.320 -0.611 1.00 0.00 H Missing atom added: HETATM 11 H2'2 DG A 68 4.972 -41.258 2.268 1.00 0.00 H Missing atom added: HETATM 28 H2' DG A 68 6.103 -41.588 0.653 1.00 0.00 H Missing atom added: HETATM 25 H5'2 DG A 69 7.591 -39.802 -1.608 1.00 0.00 H Missing atom added: HETATM 11 H2'2 DG A 69 11.025 -40.877 1.008 1.00 0.00 H Missing atom added: HETATM 28 H2' DG A 69 11.395 -41.654 -0.796 1.00 0.00 H Missing atom added: HETATM 22 H5'2 DT A 70 14.209 -38.912 -0.600 1.00 0.00 H Missing atom added: HETATM 25 H2' DT A 70 16.349 -42.209 -2.662 1.00 0.00 H Missing atom added: HETATM 26 H2'2 DT A 70 17.763 -41.174 -2.501 1.00 0.00 H Missing atom added: HETATM 28 H3 DT A 70 14.652 -44.054 -6.289 1.00 0.00 H Missing atom added: HETATM 19 C7 DT A 70 11.542 -41.251 -4.399 1.00 0.00 C Missing atom added: HETATM 30 H72 DT A 70 10.705 -41.938 -4.344 1.00 0.00 H Missing atom added: HETATM 29 H71 DT A 70 11.499 -40.682 -5.323 1.00 0.00 H Missing atom added: HETATM 31 H73 DT A 70 11.529 -40.579 -3.548 1.00 0.00 H Missing atom added: HETATM 22 H5'2 DC A 71 19.735 -38.712 -3.783 1.00 0.00 H Missing atom added: HETATM 11 H2'2 DC A 71 21.722 -41.583 -6.570 1.00 0.00 H Missing atom added: HETATM 25 H2' DC A 71 20.305 -40.972 -7.841 1.00 0.00 H Missing atom added: HETATM 22 H5'2 DT A 72 22.641 -37.564 -9.111 1.00 0.00 H Missing atom added: HETATM 25 H2' DT A 72 19.110 -39.521 -11.790 1.00 0.00 H Missing atom added: HETATM 26 H2'2 DT A 72 19.779 -38.675 -13.180 1.00 0.00 H Missing atom added: HETATM 28 H3 DT A 72 15.094 -39.461 -12.045 1.00 0.00 H Missing atom added: HETATM 19 C7 DT A 72 16.493 -37.409 -8.143 1.00 0.00 C Missing atom added: HETATM 30 H72 DT A 72 15.791 -37.927 -7.481 1.00 0.00 H Missing atom added: HETATM 29 H71 DT A 72 16.049 -36.451 -8.441 1.00 0.00 H Missing atom added: HETATM 31 H73 DT A 72 17.412 -37.204 -7.582 1.00 0.00 H Missing atom added: HETATM 24 H5'2 DA A 73 20.190 -35.471 -12.947 1.00 0.00 H Missing atom added: HETATM 11 H2'2 DA A 73 22.128 -34.563 -16.133 1.00 0.00 H Missing atom added: HETATM 27 H2' DA A 73 22.383 -36.481 -15.628 1.00 0.00 H Missing atom added: HETATM 25 H5'2 DG A 74 16.895 -35.704 -17.008 1.00 0.00 H Missing atom added: HETATM 11 H2'2 DG A 74 14.749 -38.608 -18.298 1.00 0.00 H Missing atom added: HETATM 28 H2' DG A 74 14.927 -38.407 -16.317 1.00 0.00 H Missing atom added: HETATM 24 H5'2 DA A 75 10.858 -36.845 -16.405 1.00 0.00 H Missing atom added: HETATM 11 H2'2 DA A 75 8.785 -36.266 -14.299 1.00 0.00 H Missing atom added: HETATM 27 H2' DA A 75 8.192 -37.746 -15.505 1.00 0.00 H Missing atom added: HETATM 24 H5'2 DA A 76 10.077 -42.202 -15.149 1.00 0.00 H Missing atom added: HETATM 11 H2'2 DA A 76 11.301 -44.304 -18.685 1.00 0.00 H Missing atom added: HETATM 27 H2' DA A 76 12.895 -44.454 -17.489 1.00 0.00 H Missing atom added: HETATM 22 H5'2 DT A 77 11.309 -47.856 -16.420 1.00 0.00 H Missing atom added: HETATM 25 H2' DT A 77 15.554 -46.989 -14.727 1.00 0.00 H Missing atom added: HETATM 26 H2'2 DT A 77 15.854 -48.719 -14.828 1.00 0.00 H Missing atom added: HETATM 28 H3 DT A 77 17.278 -44.047 -12.108 1.00 0.00 H Missing atom added: HETATM 19 C7 DT A 77 12.750 -43.279 -12.213 1.00 0.00 C Missing atom added: HETATM 30 H72 DT A 77 12.780 -42.242 -12.544 1.00 0.00 H Missing atom added: HETATM 29 H71 DT A 77 12.698 -43.310 -11.122 1.00 0.00 H Missing atom added: HETATM 31 H73 DT A 77 11.867 -43.766 -12.627 1.00 0.00 H Missing atom added: HETATM 24 H5'2 DA A 78 15.710 -51.599 -12.956 1.00 0.00 H Missing atom added: HETATM 11 H2'2 DA A 78 18.932 -49.862 -10.382 1.00 0.00 H Missing atom added: HETATM 27 H2' DA A 78 17.482 -49.300 -9.126 1.00 0.00 H Missing atom added: HETATM 22 H5'2 DC A 79 15.624 -51.082 -6.754 1.00 0.00 H Missing atom added: HETATM 11 H2'2 DC A 79 17.927 -48.910 -4.131 1.00 0.00 H Missing atom added: HETATM 25 H2' DC A 79 15.970 -48.612 -3.852 1.00 0.00 H Missing atom added: HETATM 22 H5'2 DC A 80 14.573 -50.735 -0.777 1.00 0.00 H Missing atom added: HETATM 11 H2'2 DC A 80 15.053 -47.821 2.313 1.00 0.00 H Missing atom added: HETATM 25 H2' DC A 80 13.151 -48.366 2.024 1.00 0.00 H Missing atom added: HETATM 24 H5'2 DA A 81 13.094 -51.046 5.315 1.00 0.00 H Missing atom added: HETATM 11 H2'2 DA A 81 9.738 -47.889 6.016 1.00 0.00 H Missing atom added: HETATM 27 H2' DA A 81 8.545 -49.056 4.916 1.00 0.00 H Missing atom added: HETATM 25 H5'2 DG A 82 7.322 -50.345 8.420 1.00 0.00 H Missing atom added: HETATM 11 H2'2 DG A 82 3.084 -49.496 8.018 1.00 0.00 H Missing atom added: HETATM 28 H2' DG A 82 2.947 -51.352 7.287 1.00 0.00 H Number of atoms: 2610 Number of residues: 82 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: 2823 Number of angles built: 5118 Number of dihedrals built: 7651 Number of impropers built: 564 ----------------------------------------------------------------------------- End of molecule (chain) ----------------------------------------------------------------------------- ----------------------------------------------------------------------------- Building interresidual nonbonded pairs & H-bonds (it may take a while)... Number of electrostatic pairs: 3396804 Number of van der Waals pairs: 263675 Number of H-bonds built: 31 Number of spring restraints: 0 Number of positional restraints: 0 Number of base pairs built: 8 Number of molecules (chains) read: 1 ----------------------------------------------------------------------------- Performing minimization step: 1. Total energy = 73322.8830 kcal/mol (73157.7947 without restraints) Performing minimization step: 2. Total energy = 72008.9540 kcal/mol (71849.7528 without restraints) Performing minimization step: 3. Total energy = 70743.4649 kcal/mol (70589.8142 without restraints) Performing minimization step: 4. Total energy = 69523.6828 kcal/mol (69375.2739 without restraints) Performing minimization step: 5. Total energy = 68347.0974 kcal/mol (68203.6461 without restraints) Performing minimization step: 6. Total energy = 67211.3980 kcal/mol (67072.6429 without restraints) Performing minimization step: 7. Total energy = 66114.4557 kcal/mol (65980.1553 without restraints) Performing minimization step: 8. Total energy = 65054.3031 kcal/mol (64924.2344 without restraints) Performing minimization step: 9. Total energy = 64029.1208 kcal/mol (63903.0771 without restraints) Performing minimization step: 10. Total energy = 63037.2218 kcal/mol (62915.0115 without restraints) Performing minimization step: 11. Total energy = 62077.0402 kcal/mol (61958.4851 without restraints) Performing minimization step: 12. Total energy = 61147.1188 kcal/mol (61032.0529 without restraints) Performing minimization step: 13. Total energy = 60246.0997 kcal/mol (60134.3685 without restraints) Performing minimization step: 14. Total energy = 59372.7153 kcal/mol (59264.1741 without restraints) Performing minimization step: 15. Total energy = 58525.7798 kcal/mol (58420.2931 without restraints) Performing minimization step: 16. Total energy = 57704.1825 kcal/mol (57601.6235 without restraints) Performing minimization step: 17. Total energy = 56906.8803 kcal/mol (56807.1297 without restraints) Performing minimization step: 18. Total energy = 56132.8934 kcal/mol (56035.8390 without restraints) Performing minimization step: 19. Total energy = 55381.2989 kcal/mol (55286.8351 without restraints) Performing minimization step: 20. Total energy = 54651.2267 kcal/mol (54559.2536 without restraints) Performing minimization step: 21. Total energy = 53941.8548 kcal/mol (53852.2781 without restraints) Performing minimization step: 22. Total energy = 53252.4059 kcal/mol (53165.1365 without restraints) Performing minimization step: 23. Total energy = 52582.1439 kcal/mol (52497.0971 without restraints) Performing minimization step: 24. Total energy = 51930.3706 kcal/mol (51847.4662 without restraints) Performing minimization step: 25. Total energy = 51296.4229 kcal/mol (51215.5846 without restraints) Performing minimization step: 26. Total energy = 50679.6706 kcal/mol (50600.8259 without restraints) Performing minimization step: 27. Total energy = 50079.5139 kcal/mol (50002.5936 without restraints) Performing minimization step: 28. Total energy = 49495.3808 kcal/mol (49420.3191 without restraints) Performing minimization step: 29. Total energy = 48926.7261 kcal/mol (48853.4601 without restraints) Performing minimization step: 30. Total energy = 48373.0293 kcal/mol (48301.4991 without restraints) Performing minimization step: 31. Total energy = 47833.7930 kcal/mol (47763.9410 without restraints) Performing minimization step: 32. Total energy = 47308.5410 kcal/mol (47240.3123 without restraints) Performing minimization step: 33. Total energy = 46796.8176 kcal/mol (46730.1596 without restraints) Performing minimization step: 34. Total energy = 46298.1864 kcal/mol (46233.0486 without restraints) Performing minimization step: 35. Total energy = 45812.2291 kcal/mol (45748.5633 without restraints) Performing minimization step: 36. Total energy = 45338.5444 kcal/mol (45276.3039 without restraints) Performing minimization step: 37. Total energy = 44876.7459 kcal/mol (44815.8863 without restraints) Performing minimization step: 38. Total energy = 44426.4634 kcal/mol (44366.9418 without restraints) Performing minimization step: 39. Total energy = 43987.3413 kcal/mol (43929.1164 without restraints) Performing minimization step: 40. Total energy = 43559.0364 kcal/mol (43502.0687 without restraints) Performing minimization step: 41. Total energy = 43141.2195 kcal/mol (43085.4708 without restraints) Performing minimization step: 42. Total energy = 42733.5734 kcal/mol (42679.0068 without restraints) Performing minimization step: 43. Total energy = 42335.7919 kcal/mol (42282.3721 without restraints) Performing minimization step: 44. Total energy = 41947.5807 kcal/mol (41895.2735 without restraints) Performing minimization step: 45. Total energy = 41568.6555 kcal/mol (41517.4280 without restraints) Performing minimization step: 46. Total energy = 41198.7428 kcal/mol (41148.5633 without restraints) Performing minimization step: 47. Total energy = 40837.5780 kcal/mol (40788.4159 without restraints) Performing minimization step: 48. Total energy = 40484.9062 kcal/mol (40436.7317 without restraints) Performing minimization step: 49. Total energy = 40140.4808 kcal/mol (40093.2655 without restraints) Performing minimization step: 50. Total energy = 39804.0640 kcal/mol (39757.7803 without restraints) Performing minimization step: 51. Total energy = 39475.4260 kcal/mol (39430.0472 without restraints) Performing minimization step: 52. Total energy = 39154.3445 kcal/mol (39109.8448 without restraints) Performing minimization step: 53. Total energy = 38840.6050 kcal/mol (38796.9595 without restraints) Performing minimization step: 54. Total energy = 38533.9995 kcal/mol (38491.1839 without restraints) Performing minimization step: 55. Total energy = 38234.3273 kcal/mol (38192.3187 without restraints) Performing minimization step: 56. Total energy = 37941.3945 kcal/mol (37900.1701 without restraints) Performing minimization step: 57. Total energy = 37655.0127 kcal/mol (37614.5507 without restraints) Performing minimization step: 58. Total energy = 37375.0002 kcal/mol (37335.2795 without restraints) Performing minimization step: 59. Total energy = 37101.1804 kcal/mol (37062.1805 without restraints) Performing minimization step: 60. Total energy = 36833.3831 kcal/mol (36795.0842 without restraints) Performing minimization step: 61. Total energy = 36571.4429 kcal/mol (36533.8259 without restraints) Performing minimization step: 62. Total energy = 36315.2000 kcal/mol (36278.2462 without restraints) Performing minimization step: 63. Total energy = 36064.4992 kcal/mol (36028.1906 without restraints) Performing minimization step: 64. Total energy = 35819.1904 kcal/mol (35783.5095 without restraints) Performing minimization step: 65. Total energy = 35579.1278 kcal/mol (35544.0578 without restraints) Performing minimization step: 66. Total energy = 35344.1705 kcal/mol (35309.6949 without restraints) Performing minimization step: 67. Total energy = 35114.1818 kcal/mol (35080.2848 without restraints) Performing minimization step: 68. Total energy = 34889.0287 kcal/mol (34855.6948 without restraints) Performing minimization step: 69. Total energy = 34668.5826 kcal/mol (34635.7968 without restraints) Performing minimization step: 70. Total energy = 34452.7189 kcal/mol (34420.4668 without restraints) Performing minimization step: 71. Total energy = 34241.3162 kcal/mol (34209.5837 without restraints) Performing minimization step: 72. Total energy = 34034.2572 kcal/mol (34003.0307 without restraints) Performing minimization step: 73. Total energy = 33831.4278 kcal/mol (33800.6939 without restraints) Performing minimization step: 74. Total energy = 33632.7176 kcal/mol (33602.4636 without restraints) Performing minimization step: 75. Total energy = 33438.0192 kcal/mol (33408.2325 without restraints) Performing minimization step: 76. Total energy = 33247.2283 kcal/mol (33217.8968 without restraints) Performing minimization step: 77. Total energy = 33060.2437 kcal/mol (33031.3556 without restraints) Performing minimization step: 78. Total energy = 32876.9668 kcal/mol (32848.5107 without restraints) Performing minimization step: 79. Total energy = 32697.3027 kcal/mol (32669.2676 without restraints) Performing minimization step: 80. Total energy = 32521.1586 kcal/mol (32493.5335 without restraints) Performing minimization step: 81. Total energy = 32348.4443 kcal/mol (32321.2189 without restraints) Performing minimization step: 82. Total energy = 32179.0725 kcal/mol (32152.2366 without restraints) Performing minimization step: 83. Total energy = 32012.9580 kcal/mol (31986.5017 without restraints) Performing minimization step: 84. Total energy = 31850.0182 kcal/mol (31823.9319 without restraints) Performing minimization step: 85. Total energy = 31690.1731 kcal/mol (31664.4474 without restraints) Performing minimization step: 86. Total energy = 31533.3445 kcal/mol (31507.9703 without restraints) Performing minimization step: 87. Total energy = 31379.4566 kcal/mol (31354.4252 without restraints) Performing minimization step: 88. Total energy = 31228.4358 kcal/mol (31203.7386 without restraints) Performing minimization step: 89. Total energy = 31080.2104 kcal/mol (31055.8390 without restraints) Performing minimization step: 90. Total energy = 30934.7106 kcal/mol (30910.6570 without restraints) Performing minimization step: 91. Total energy = 30791.8690 kcal/mol (30768.1252 without restraints) Performing minimization step: 92. Total energy = 30651.6193 kcal/mol (30628.1776 without restraints) Performing minimization step: 93. Total energy = 30513.8976 kcal/mol (30490.7506 without restraints) Performing minimization step: 94. Total energy = 30378.6414 kcal/mol (30355.7819 without restraints) Performing minimization step: 95. Total energy = 30245.7902 kcal/mol (30223.2111 without restraints) Performing minimization step: 96. Total energy = 30115.2851 kcal/mol (30092.9796 without restraints) Performing minimization step: 97. Total energy = 29987.0687 kcal/mol (29965.0301 without restraints) Performing minimization step: 98. Total energy = 29861.0850 kcal/mol (29839.3066 without restraints) Performing minimization step: 99. Total energy = 29737.2796 kcal/mol (29715.7552 without restraints) Performing minimization step: 100. Total energy = 29615.5999 kcal/mol (29594.3233 without restraints) Writing PDB file: /home/ubuntu/rna-tools/rna_tools/tools/webserver-engine/media/jobs/50163f44/tmp/CPMA3_refx/CPMA3_refx.pdb ...Done. Performing minimization step: 101. Total energy = 29495.9939 kcal/mol (29474.9591 without restraints) Performing minimization step: 102. Total energy = 29378.4118 kcal/mol (29357.6132 without restraints) Performing minimization step: 103. Total energy = 29262.8052 kcal/mol (29242.2368 without restraints) Performing minimization step: 104. Total energy = 29149.1259 kcal/mol (29128.7824 without restraints) Performing minimization step: 105. Total energy = 29037.3281 kcal/mol (29017.2041 without restraints) Performing minimization step: 106. Total energy = 28927.3667 kcal/mol (28907.4568 without restraints) Performing minimization step: 107. Total energy = 28819.1978 kcal/mol (28799.4970 without restraints) Performing minimization step: 108. Total energy = 28712.7788 kcal/mol (28693.2821 without restraints) Performing minimization step: 109. Total energy = 28608.0685 kcal/mol (28588.7710 without restraints) Performing minimization step: 110. Total energy = 28505.0255 kcal/mol (28485.9226 without restraints) Performing minimization step: 111. Total energy = 28403.6109 kcal/mol (28384.6980 without restraints) Performing minimization step: 112. Total energy = 28303.7862 kcal/mol (28285.0588 without restraints) Performing minimization step: 113. Total energy = 28205.5141 kcal/mol (28186.9679 without restraints) Performing minimization step: 114. Total energy = 28108.7583 kcal/mol (28090.3890 without restraints) Performing minimization step: 115. Total energy = 28013.4827 kcal/mol (27995.2861 without restraints) Performing minimization step: 116. Total energy = 27919.6533 kcal/mol (27901.6253 without restraints) Performing minimization step: 117. Total energy = 27827.2360 kcal/mol (27809.3728 without restraints) Performing minimization step: 118. Total energy = 27736.1984 kcal/mol (27718.4962 without restraints) Performing minimization step: 119. Total energy = 27646.5080 kcal/mol (27628.9631 without restraints) Performing minimization step: 120. Total energy = 27558.1342 kcal/mol (27540.7429 without restraints) Performing minimization step: 121. Total energy = 27471.0459 kcal/mol (27453.8047 without restraints) Performing minimization step: 122. Total energy = 27385.2139 kcal/mol (27368.1193 without restraints) Performing minimization step: 123. Total energy = 27300.6091 kcal/mol (27283.6576 without restraints) Performing minimization step: 124. Total energy = 27217.2032 kcal/mol (27200.3918 without restraints) Performing minimization step: 125. Total energy = 27134.9697 kcal/mol (27118.2951 without restraints) Performing minimization step: 126. Total energy = 27053.8812 kcal/mol (27037.3404 without restraints) Performing minimization step: 127. Total energy = 26973.9114 kcal/mol (26957.5010 without restraints) Performing minimization step: 128. Total energy = 26895.0352 kcal/mol (26878.7525 without restraints) Performing minimization step: 129. Total energy = 26817.2278 kcal/mol (26801.0699 without restraints) Performing minimization step: 130. Total energy = 26740.4648 kcal/mol (26724.4288 without restraints) Performing minimization step: 131. Total energy = 26664.7231 kcal/mol (26648.8063 without restraints) Performing minimization step: 132. Total energy = 26589.9799 kcal/mol (26574.1797 without restraints) Performing minimization step: 133. Total energy = 26516.2116 kcal/mol (26500.5254 without restraints) Performing minimization step: 134. Total energy = 26443.3975 kcal/mol (26427.8226 without restraints) Performing minimization step: 135. Total energy = 26371.5162 kcal/mol (26356.0503 without restraints) Performing minimization step: 136. Total energy = 26300.5469 kcal/mol (26285.1874 without restraints) Performing minimization step: 137. Total energy = 26230.4691 kcal/mol (26215.2138 without restraints) Performing minimization step: 138. Total energy = 26161.2633 kcal/mol (26146.1099 without restraints) Performing minimization step: 139. Total energy = 26092.9103 kcal/mol (26077.8564 without restraints) Performing minimization step: 140. Total energy = 26025.3911 kcal/mol (26010.4346 without restraints) Performing minimization step: 141. Total energy = 25958.6872 kcal/mol (25943.8260 without restraints) Performing minimization step: 142. Total energy = 25892.7808 kcal/mol (25878.0128 without restraints) Performing minimization step: 143. Total energy = 25827.6553 kcal/mol (25812.9785 without restraints) Performing minimization step: 144. Total energy = 25763.2931 kcal/mol (25748.7055 without restraints) Performing minimization step: 145. Total energy = 25699.6776 kcal/mol (25685.1773 without restraints) Performing minimization step: 146. Total energy = 25636.7929 kcal/mol (25622.3780 without restraints) Performing minimization step: 147. Total energy = 25574.6232 kcal/mol (25560.2917 without restraints) Performing minimization step: 148. Total energy = 25513.1531 kcal/mol (25498.9036 without restraints) Performing minimization step: 149. Total energy = 25452.3674 kcal/mol (25438.1977 without restraints) Performing minimization step: 150. Total energy = 25392.2515 kcal/mol (25378.1602 without restraints) Performing minimization step: 151. Total energy = 25332.7918 kcal/mol (25318.7771 without restraints) Performing minimization step: 152. Total energy = 25273.9728 kcal/mol (25260.0333 without restraints) Performing minimization step: 153. Total energy = 25215.7826 kcal/mol (25201.9163 without restraints) Performing minimization step: 154. Total energy = 25158.2071 kcal/mol (25144.4128 without restraints) Performing minimization step: 155. Total energy = 25101.2337 kcal/mol (25087.5098 without restraints) Performing minimization step: 156. Total energy = 25044.8496 kcal/mol (25031.1946 without restraints) Performing minimization step: 157. Total energy = 24989.0425 kcal/mol (24975.4550 without restraints) Performing minimization step: 158. Total energy = 24933.8006 kcal/mol (24920.2791 without restraints) Performing minimization step: 159. Total energy = 24879.1119 kcal/mol (24865.6551 without restraints) Performing minimization step: 160. Total energy = 24824.9652 kcal/mol (24811.5720 without restraints) Performing minimization step: 161. Total energy = 24771.3495 kcal/mol (24758.0182 without restraints) Performing minimization step: 162. Total energy = 24718.2535 kcal/mol (24704.9829 without restraints) Performing minimization step: 163. Total energy = 24665.6667 kcal/mol (24652.4559 without restraints) Performing minimization step: 164. Total energy = 24613.5792 kcal/mol (24600.4267 without restraints) Performing minimization step: 165. Total energy = 24561.9806 kcal/mol (24548.8854 without restraints) Performing minimization step: 166. Total energy = 24510.8609 kcal/mol (24497.8218 without restraints) Performing minimization step: 167. Total energy = 24460.2106 kcal/mol (24447.2264 without restraints) Performing minimization step: 168. Total energy = 24410.0203 kcal/mol (24397.0900 without restraints) Performing minimization step: 169. Total energy = 24360.2807 kcal/mol (24347.4031 without restraints) Performing minimization step: 170. Total energy = 24310.9832 kcal/mol (24298.1573 without restraints) Performing minimization step: 171. Total energy = 24262.1188 kcal/mol (24249.3436 without restraints) Performing minimization step: 172. Total energy = 24213.6792 kcal/mol (24200.9538 without restraints) Performing minimization step: 173. Total energy = 24165.6561 kcal/mol (24152.9795 without restraints) Performing minimization step: 174. Total energy = 24118.0412 kcal/mol (24105.4124 without restraints) Performing minimization step: 175. Total energy = 24070.8270 kcal/mol (24058.2452 without restraints) Performing minimization step: 176. Total energy = 24024.0052 kcal/mol (24011.4692 without restraints) Performing minimization step: 177. Total energy = 23977.5684 kcal/mol (23965.0777 without restraints) Performing minimization step: 178. Total energy = 23931.5096 kcal/mol (23919.0633 without restraints) Performing minimization step: 179. Total energy = 23885.8215 kcal/mol (23873.4184 without restraints) Performing minimization step: 180. Total energy = 23840.4966 kcal/mol (23828.1360 without restraints) Performing minimization step: 181. Total energy = 23795.5285 kcal/mol (23783.2099 without restraints) Performing minimization step: 182. Total energy = 23750.9105 kcal/mol (23738.6327 without restraints) Performing minimization step: 183. Total energy = 23706.6362 kcal/mol (23694.3989 without restraints) Performing minimization step: 184. Total energy = 23662.6991 kcal/mol (23650.5013 without restraints) Performing minimization step: 185. Total energy = 23619.0928 kcal/mol (23606.9338 without restraints) Performing minimization step: 186. Total energy = 23575.8118 kcal/mol (23563.6911 without restraints) Performing minimization step: 187. Total energy = 23532.8498 kcal/mol (23520.7664 without restraints) Performing minimization step: 188. Total energy = 23490.2011 kcal/mol (23478.1544 without restraints) Performing minimization step: 189. Total energy = 23447.8598 kcal/mol (23435.8493 without restraints) Performing minimization step: 190. Total energy = 23405.8207 kcal/mol (23393.8456 without restraints) Performing minimization step: 191. Total energy = 23364.0782 kcal/mol (23352.1380 without restraints) Performing minimization step: 192. Total energy = 23322.6268 kcal/mol (23310.7208 without restraints) Performing minimization step: 193. Total energy = 23281.4621 kcal/mol (23269.5897 without restraints) Performing minimization step: 194. Total energy = 23240.5790 kcal/mol (23228.7396 without restraints) Performing minimization step: 195. Total energy = 23199.9718 kcal/mol (23188.1649 without restraints) Performing minimization step: 196. Total energy = 23159.6363 kcal/mol (23147.8613 without restraints) Performing minimization step: 197. Total energy = 23119.5683 kcal/mol (23107.8248 without restraints) Performing minimization step: 198. Total energy = 23079.7624 kcal/mol (23068.0496 without restraints) Performing minimization step: 199. Total energy = 23040.2143 kcal/mol (23028.5318 without restraints) Performing minimization step: 200. Total energy = 23000.9199 kcal/mol (22989.2671 without restraints) Writing PDB file: /home/ubuntu/rna-tools/rna_tools/tools/webserver-engine/media/jobs/50163f44/tmp/CPMA3_refx/CPMA3_refx.pdb ...Done. Performing minimization step: 201. Total energy = 22961.8754 kcal/mol (22950.2520 without restraints) Performing minimization step: 202. Total energy = 22923.0756 kcal/mol (22911.4809 without restraints) Performing minimization step: 203. Total energy = 22884.5171 kcal/mol (22872.9508 without restraints) Performing minimization step: 204. Total energy = 22846.1958 kcal/mol (22834.6575 without restraints) Performing minimization step: 205. Total energy = 22808.1078 kcal/mol (22796.5968 without restraints) Performing minimization step: 206. Total energy = 22770.2494 kcal/mol (22758.7655 without restraints) Performing minimization step: 207. Total energy = 22732.6171 kcal/mol (22721.1598 without restraints) Performing minimization step: 208. Total energy = 22695.2070 kcal/mol (22683.7761 without restraints) Performing minimization step: 209. Total energy = 22658.0154 kcal/mol (22646.6100 without restraints) Performing minimization step: 210. Total energy = 22621.0391 kcal/mol (22609.6591 without restraints) Performing minimization step: 211. Total energy = 22584.2748 kcal/mol (22572.9197 without restraints) Performing minimization step: 212. Total energy = 22547.7193 kcal/mol (22536.3888 without restraints) Performing minimization step: 213. Total energy = 22511.3691 kcal/mol (22500.0628 without restraints) Performing minimization step: 214. Total energy = 22475.2213 kcal/mol (22463.9386 without restraints) Performing minimization step: 215. Total energy = 22439.2729 kcal/mol (22428.0139 without restraints) Performing minimization step: 216. Total energy = 22403.5209 kcal/mol (22392.2851 without restraints) Performing minimization step: 217. Total energy = 22367.9625 kcal/mol (22356.7493 without restraints) Performing minimization step: 218. Total energy = 22332.5940 kcal/mol (22321.4034 without restraints) Performing minimization step: 219. Total energy = 22297.4131 kcal/mol (22286.2445 without restraints) Performing minimization step: 220. Total energy = 22262.4165 kcal/mol (22251.2697 without restraints) Performing minimization step: 221. Total energy = 22227.6024 kcal/mol (22216.4771 without restraints) Performing minimization step: 222. Total energy = 22192.9679 kcal/mol (22181.8638 without restraints) Performing minimization step: 223. Total energy = 22158.5102 kcal/mol (22147.4269 without restraints) Performing minimization step: 224. Total energy = 22124.2275 kcal/mol (22113.1647 without restraints) Performing minimization step: 225. Total energy = 22090.1168 kcal/mol (22079.0744 without restraints) Performing minimization step: 226. Total energy = 22056.1754 kcal/mol (22045.1528 without restraints) Performing minimization step: 227. Total energy = 22022.4014 kcal/mol (22011.3987 without restraints) Performing minimization step: 228. Total energy = 21988.7923 kcal/mol (21977.8092 without restraints) Performing minimization step: 229. Total energy = 21955.3464 kcal/mol (21944.3826 without restraints) Performing minimization step: 230. Total energy = 21922.0607 kcal/mol (21911.1157 without restraints) Performing minimization step: 231. Total energy = 21888.9327 kcal/mol (21878.0064 without restraints) Performing minimization step: 232. Total energy = 21855.9616 kcal/mol (21845.0539 without restraints) Performing minimization step: 233. Total energy = 21823.1448 kcal/mol (21812.2552 without restraints) Performing minimization step: 234. Total energy = 21790.4799 kcal/mol (21779.6084 without restraints) Performing minimization step: 235. Total energy = 21757.9651 kcal/mol (21747.1112 without restraints) Performing minimization step: 236. Total energy = 21725.5982 kcal/mol (21714.7616 without restraints) Performing minimization step: 237. Total energy = 21693.3774 kcal/mol (21682.5583 without restraints) Performing minimization step: 238. Total energy = 21661.3015 kcal/mol (21650.4996 without restraints) Performing minimization step: 239. Total energy = 21629.3685 kcal/mol (21618.5833 without restraints) Performing minimization step: 240. Total energy = 21597.5761 kcal/mol (21586.8078 without restraints) Performing minimization step: 241. Total energy = 21565.9231 kcal/mol (21555.1712 without restraints) Performing minimization step: 242. Total energy = 21534.4076 kcal/mol (21523.6719 without restraints) Performing minimization step: 243. Total energy = 21503.0278 kcal/mol (21492.3082 without restraints) Performing minimization step: 244. Total energy = 21471.7821 kcal/mol (21461.0784 without restraints) Performing minimization step: 245. Total energy = 21440.6692 kcal/mol (21429.9811 without restraints) Performing minimization step: 246. Total energy = 21409.6869 kcal/mol (21399.0146 without restraints) Performing minimization step: 247. Total energy = 21378.8343 kcal/mol (21368.1773 without restraints) Performing minimization step: 248. Total energy = 21348.1093 kcal/mol (21337.4674 without restraints) Performing minimization step: 249. Total energy = 21317.5112 kcal/mol (21306.8843 without restraints) Performing minimization step: 250. Total energy = 21287.0380 kcal/mol (21276.4260 without restraints) Performing minimization step: 251. Total energy = 21256.6889 kcal/mol (21246.0916 without restraints) Performing minimization step: 252. Total energy = 21226.4617 kcal/mol (21215.8788 without restraints) Performing minimization step: 253. Total energy = 21196.3551 kcal/mol (21185.7865 without restraints) Performing minimization step: 254. Total energy = 21166.3685 kcal/mol (21155.8141 without restraints) Performing minimization step: 255. Total energy = 21136.5000 kcal/mol (21125.9598 without restraints) Performing minimization step: 256. Total energy = 21106.7485 kcal/mol (21096.2220 without restraints) Performing minimization step: 257. Total energy = 21077.1126 kcal/mol (21066.5998 without restraints) Performing minimization step: 258. Total energy = 21047.5911 kcal/mol (21037.0920 without restraints) Performing minimization step: 259. Total energy = 21018.1826 kcal/mol (21007.6967 without restraints) Performing minimization step: 260. Total energy = 20988.8864 kcal/mol (20978.4141 without restraints) Performing minimization step: 261. Total energy = 20959.7009 kcal/mol (20949.2417 without restraints) Performing minimization step: 262. Total energy = 20930.6253 kcal/mol (20920.1792 without restraints) Performing minimization step: 263. Total energy = 20901.6587 kcal/mol (20891.2255 without restraints) Performing minimization step: 264. Total energy = 20872.7996 kcal/mol (20862.3792 without restraints) Performing minimization step: 265. Total energy = 20844.0467 kcal/mol (20833.6390 without restraints) Performing minimization step: 266. Total energy = 20815.3998 kcal/mol (20805.0047 without restraints) Performing minimization step: 267. Total energy = 20786.8571 kcal/mol (20776.4743 without restraints) Performing minimization step: 268. Total energy = 20758.4178 kcal/mol (20748.0473 without restraints) Performing minimization step: 269. Total energy = 20730.0812 kcal/mol (20719.7230 without restraints) Performing minimization step: 270. Total energy = 20701.8458 kcal/mol (20691.4996 without restraints) Performing minimization step: 271. Total energy = 20673.7105 kcal/mol (20663.3763 without restraints) Performing minimization step: 272. Total energy = 20645.6750 kcal/mol (20635.3527 without restraints) Performing minimization step: 273. Total energy = 20617.7381 kcal/mol (20607.4274 without restraints) Performing minimization step: 274. Total energy = 20589.8990 kcal/mol (20579.6000 without restraints) Performing minimization step: 275. Total energy = 20562.1564 kcal/mol (20551.8690 without restraints) Performing minimization step: 276. Total energy = 20534.5099 kcal/mol (20524.2340 without restraints) Performing minimization step: 277. Total energy = 20506.9583 kcal/mol (20496.6937 without restraints) Performing minimization step: 278. Total energy = 20479.5012 kcal/mol (20469.2478 without restraints) Performing minimization step: 279. Total energy = 20452.1372 kcal/mol (20441.8948 without restraints) Performing minimization step: 280. Total energy = 20424.8658 kcal/mol (20414.6346 without restraints) Performing minimization step: 281. Total energy = 20397.6866 kcal/mol (20387.4665 without restraints) Performing minimization step: 282. Total energy = 20370.5987 kcal/mol (20360.3893 without restraints) Performing minimization step: 283. Total energy = 20343.6007 kcal/mol (20333.4021 without restraints) Performing minimization step: 284. Total energy = 20316.6922 kcal/mol (20306.5043 without restraints) Performing minimization step: 285. Total energy = 20289.8725 kcal/mol (20279.6952 without restraints) Performing minimization step: 286. Total energy = 20263.1410 kcal/mol (20252.9743 without restraints) Performing minimization step: 287. Total energy = 20236.4966 kcal/mol (20226.3402 without restraints) Performing minimization step: 288. Total energy = 20209.9387 kcal/mol (20199.7926 without restraints) Performing minimization step: 289. Total energy = 20183.4672 kcal/mol (20173.3316 without restraints) Performing minimization step: 290. Total energy = 20157.0806 kcal/mol (20146.9551 without restraints) Performing minimization step: 291. Total energy = 20130.7786 kcal/mol (20120.6632 without restraints) Performing minimization step: 292. Total energy = 20104.5604 kcal/mol (20094.4551 without restraints) Performing minimization step: 293. Total energy = 20078.4251 kcal/mol (20068.3296 without restraints) Performing minimization step: 294. Total energy = 20052.3725 kcal/mol (20042.2869 without restraints) Performing minimization step: 295. Total energy = 20026.4014 kcal/mol (20016.3256 without restraints) Performing minimization step: 296. Total energy = 20000.5123 kcal/mol (19990.4464 without restraints) Performing minimization step: 297. Total energy = 19974.7042 kcal/mol (19964.6478 without restraints) Performing minimization step: 298. Total energy = 19948.9758 kcal/mol (19938.9290 without restraints) Performing minimization step: 299. Total energy = 19923.3269 kcal/mol (19913.2897 without restraints) Performing minimization step: 300. Total energy = 19897.7571 kcal/mol (19887.7293 without restraints) Writing PDB file: /home/ubuntu/rna-tools/rna_tools/tools/webserver-engine/media/jobs/50163f44/tmp/CPMA3_refx/CPMA3_refx.pdb ...Done. Performing minimization step: 301. Total energy = 19872.2658 kcal/mol (19862.2475 without restraints) Performing minimization step: 302. Total energy = 19846.8523 kcal/mol (19836.8433 without restraints) Performing minimization step: 303. Total energy = 19821.5161 kcal/mol (19811.5164 without restraints) Performing minimization step: 304. Total energy = 19796.2567 kcal/mol (19786.2661 without restraints) Performing minimization step: 305. Total energy = 19771.0734 kcal/mol (19761.0920 without restraints) Performing minimization step: 306. Total energy = 19745.9662 kcal/mol (19735.9939 without restraints) Performing minimization step: 307. Total energy = 19720.9339 kcal/mol (19710.9708 without restraints) Performing minimization step: 308. Total energy = 19695.9764 kcal/mol (19686.0221 without restraints) Performing minimization step: 309. Total energy = 19671.0930 kcal/mol (19661.1476 without restraints) Performing minimization step: 310. Total energy = 19646.2835 kcal/mol (19636.3469 without restraints) Performing minimization step: 311. Total energy = 19621.5476 kcal/mol (19611.6199 without restraints) Performing minimization step: 312. Total energy = 19596.8838 kcal/mol (19586.9647 without restraints) Performing minimization step: 313. Total energy = 19572.2925 kcal/mol (19562.3822 without restraints) Performing minimization step: 314. Total energy = 19547.7729 kcal/mol (19537.8712 without restraints) Performing minimization step: 315. Total energy = 19523.3240 kcal/mol (19513.4309 without restraints) Performing minimization step: 316. Total energy = 19498.9465 kcal/mol (19489.0619 without restraints) Performing minimization step: 317. Total energy = 19474.6392 kcal/mol (19464.7631 without restraints) Performing minimization step: 318. Total energy = 19450.4022 kcal/mol (19440.5345 without restraints) Performing minimization step: 319. Total energy = 19426.2346 kcal/mol (19416.3753 without restraints) Performing minimization step: 320. Total energy = 19402.1359 kcal/mol (19392.2849 without restraints) Performing minimization step: 321. Total energy = 19378.1065 kcal/mol (19368.2638 without restraints) Performing minimization step: 322. Total energy = 19354.1454 kcal/mol (19344.3109 without restraints) Performing minimization step: 323. Total energy = 19330.2523 kcal/mol (19320.4260 without restraints) Performing minimization step: 324. Total energy = 19306.4266 kcal/mol (19296.6084 without restraints) Performing minimization step: 325. Total energy = 19282.6673 kcal/mol (19272.8572 without restraints) Performing minimization step: 326. Total energy = 19258.9751 kcal/mol (19249.1731 without restraints) Performing minimization step: 327. Total energy = 19235.3491 kcal/mol (19225.5551 without restraints) Performing minimization step: 328. Total energy = 19211.7895 kcal/mol (19202.0034 without restraints) Performing minimization step: 329. Total energy = 19188.2957 kcal/mol (19178.5175 without restraints) Performing minimization step: 330. Total energy = 19164.8675 kcal/mol (19155.0973 without restraints) Performing minimization step: 331. Total energy = 19141.5035 kcal/mol (19131.7410 without restraints) Performing minimization step: 332. Total energy = 19118.2044 kcal/mol (19108.4497 without restraints) Performing minimization step: 333. Total energy = 19094.9695 kcal/mol (19085.2225 without restraints) Performing minimization step: 334. Total energy = 19071.7980 kcal/mol (19062.0587 without restraints) Performing minimization step: 335. Total energy = 19048.6903 kcal/mol (19038.9587 without restraints) Performing minimization step: 336. Total energy = 19025.6456 kcal/mol (19015.9216 without restraints) Performing minimization step: 337. Total energy = 19002.6642 kcal/mol (18992.9478 without restraints) Performing minimization step: 338. Total energy = 18979.7445 kcal/mol (18970.0357 without restraints) Performing minimization step: 339. Total energy = 18956.8871 kcal/mol (18947.1857 without restraints) Performing minimization step: 340. Total energy = 18934.0914 kcal/mol (18924.3976 without restraints) Performing minimization step: 341. Total energy = 18911.3576 kcal/mol (18901.6712 without restraints) Performing minimization step: 342. Total energy = 18888.6849 kcal/mol (18879.0060 without restraints) Performing minimization step: 343. Total energy = 18866.0731 kcal/mol (18856.4014 without restraints) Performing minimization step: 344. Total energy = 18843.5217 kcal/mol (18833.8575 without restraints) Performing minimization step: 345. Total energy = 18821.0308 kcal/mol (18811.3737 without restraints) Performing minimization step: 346. Total energy = 18798.5997 kcal/mol (18788.9499 without restraints) Performing minimization step: 347. Total energy = 18776.2286 kcal/mol (18766.5861 without restraints) Performing minimization step: 348. Total energy = 18753.9164 kcal/mol (18744.2810 without restraints) Performing minimization step: 349. Total energy = 18731.6634 kcal/mol (18722.0352 without restraints) Performing minimization step: 350. Total energy = 18709.4693 kcal/mol (18699.8482 without restraints) Performing minimization step: 351. Total energy = 18687.3342 kcal/mol (18677.7202 without restraints) Performing minimization step: 352. Total energy = 18665.2574 kcal/mol (18655.6505 without restraints) Performing minimization step: 353. Total energy = 18643.2380 kcal/mol (18633.6381 without restraints) Performing minimization step: 354. Total energy = 18621.2764 kcal/mol (18611.6835 without restraints) Performing minimization step: 355. Total energy = 18599.3722 kcal/mol (18589.7862 without restraints) Performing minimization step: 356. Total energy = 18577.5250 kcal/mol (18567.9460 without restraints) Performing minimization step: 357. Total energy = 18555.7352 kcal/mol (18546.1632 without restraints) Performing minimization step: 358. Total energy = 18534.0021 kcal/mol (18524.4369 without restraints) Performing minimization step: 359. Total energy = 18512.3250 kcal/mol (18502.7666 without restraints) Performing minimization step: 360. Total energy = 18490.7041 kcal/mol (18481.1526 without restraints) Performing minimization step: 361. Total energy = 18469.1393 kcal/mol (18459.5945 without restraints) Performing minimization step: 362. Total energy = 18447.6303 kcal/mol (18438.0923 without restraints) Performing minimization step: 363. Total energy = 18426.1765 kcal/mol (18416.6453 without restraints) Performing minimization step: 364. Total energy = 18404.7772 kcal/mol (18395.2527 without restraints) Performing minimization step: 365. Total energy = 18383.4335 kcal/mol (18373.9156 without restraints) Performing minimization step: 366. Total energy = 18362.1446 kcal/mol (18352.6334 without restraints) Performing minimization step: 367. Total energy = 18340.9104 kcal/mol (18331.4057 without restraints) Performing minimization step: 368. Total energy = 18319.7301 kcal/mol (18310.2321 without restraints) Performing minimization step: 369. Total energy = 18298.6039 kcal/mol (18289.1125 without restraints) Performing minimization step: 370. Total energy = 18277.5316 kcal/mol (18268.0467 without restraints) Performing minimization step: 371. Total energy = 18256.5125 kcal/mol (18247.0341 without restraints) Performing minimization step: 372. Total energy = 18235.5474 kcal/mol (18226.0755 without restraints) Performing minimization step: 373. Total energy = 18214.6351 kcal/mol (18205.1697 without restraints) Performing minimization step: 374. Total energy = 18193.7757 kcal/mol (18184.3167 without restraints) Performing minimization step: 375. Total energy = 18172.9687 kcal/mol (18163.5161 without restraints) Performing minimization step: 376. Total energy = 18152.2143 kcal/mol (18142.7682 without restraints) Performing minimization step: 377. Total energy = 18131.5127 kcal/mol (18122.0729 without restraints) Performing minimization step: 378. Total energy = 18110.8630 kcal/mol (18101.4296 without restraints) Performing minimization step: 379. Total energy = 18090.2647 kcal/mol (18080.8376 without restraints) Performing minimization step: 380. Total energy = 18069.7185 kcal/mol (18060.2977 without restraints) Performing minimization step: 381. Total energy = 18049.2231 kcal/mol (18039.8085 without restraints) Performing minimization step: 382. Total energy = 18028.7802 kcal/mol (18019.3718 without restraints) Performing minimization step: 383. Total energy = 18008.3875 kcal/mol (17998.9854 without restraints) Performing minimization step: 384. Total energy = 17988.0457 kcal/mol (17978.6498 without restraints) Performing minimization step: 385. Total energy = 17967.7548 kcal/mol (17958.3651 without restraints) Performing minimization step: 386. Total energy = 17947.5141 kcal/mol (17938.1306 without restraints) Performing minimization step: 387. Total energy = 17927.3240 kcal/mol (17917.9467 without restraints) Performing minimization step: 388. Total energy = 17907.1837 kcal/mol (17897.8124 without restraints) Performing minimization step: 389. Total energy = 17887.0931 kcal/mol (17877.7279 without restraints) Performing minimization step: 390. Total energy = 17867.0524 kcal/mol (17857.6932 without restraints) Performing minimization step: 391. Total energy = 17847.0613 kcal/mol (17837.7083 without restraints) Performing minimization step: 392. Total energy = 17827.1193 kcal/mol (17817.7723 without restraints) Performing minimization step: 393. Total energy = 17807.2265 kcal/mol (17797.8854 without restraints) Performing minimization step: 394. Total energy = 17787.3825 kcal/mol (17778.0475 without restraints) Performing minimization step: 395. Total energy = 17767.5881 kcal/mol (17758.2590 without restraints) Performing minimization step: 396. Total energy = 17747.8418 kcal/mol (17738.5186 without restraints) Performing minimization step: 397. Total energy = 17728.1445 kcal/mol (17718.8273 without restraints) Performing minimization step: 398. Total energy = 17708.4948 kcal/mol (17699.1835 without restraints) Performing minimization step: 399. Total energy = 17688.8936 kcal/mol (17679.5881 without restraints) Performing minimization step: 400. Total energy = 17669.3401 kcal/mol (17660.0406 without restraints) Writing PDB file: /home/ubuntu/rna-tools/rna_tools/tools/webserver-engine/media/jobs/50163f44/tmp/CPMA3_refx/CPMA3_refx.pdb ...Done. Performing minimization step: 401. Total energy = 17649.8341 kcal/mol (17640.5404 without restraints) Performing minimization step: 402. Total energy = 17630.3763 kcal/mol (17621.0883 without restraints) Performing minimization step: 403. Total energy = 17610.9657 kcal/mol (17601.6836 without restraints) Performing minimization step: 404. Total energy = 17591.6019 kcal/mol (17582.3257 without restraints) Performing minimization step: 405. Total energy = 17572.2855 kcal/mol (17563.0149 without restraints) Performing minimization step: 406. Total energy = 17553.0163 kcal/mol (17543.7518 without restraints) Performing minimization step: 407. Total energy = 17533.7937 kcal/mol (17524.5347 without restraints) Performing minimization step: 408. Total energy = 17514.6177 kcal/mol (17505.3644 without restraints) Performing minimization step: 409. Total energy = 17495.4881 kcal/mol (17486.2406 without restraints) Performing minimization step: 410. Total energy = 17476.4049 kcal/mol (17467.1630 without restraints) Performing minimization step: 411. Total energy = 17457.3680 kcal/mol (17448.1318 without restraints) Performing minimization step: 412. Total energy = 17438.3767 kcal/mol (17429.1461 without restraints) Performing minimization step: 413. Total energy = 17419.4317 kcal/mol (17410.2067 without restraints) Performing minimization step: 414. Total energy = 17400.5322 kcal/mol (17391.3127 without restraints) Performing minimization step: 415. Total energy = 17381.6782 kcal/mol (17372.4645 without restraints) Performing minimization step: 416. Total energy = 17362.8698 kcal/mol (17353.6617 without restraints) Performing minimization step: 417. Total energy = 17344.1063 kcal/mol (17334.9037 without restraints) Performing minimization step: 418. Total energy = 17325.3880 kcal/mol (17316.1909 without restraints) Performing minimization step: 419. Total energy = 17306.7145 kcal/mol (17297.5230 without restraints) Performing minimization step: 420. Total energy = 17288.0867 kcal/mol (17278.9007 without restraints) Performing minimization step: 421. Total energy = 17269.5030 kcal/mol (17260.3225 without restraints) Performing minimization step: 422. Total energy = 17250.9633 kcal/mol (17241.7881 without restraints) Performing minimization step: 423. Total energy = 17232.4685 kcal/mol (17223.2989 without restraints) Performing minimization step: 424. Total energy = 17214.0176 kcal/mol (17204.8535 without restraints) Performing minimization step: 425. Total energy = 17195.6106 kcal/mol (17186.4519 without restraints) Performing minimization step: 426. Total energy = 17177.2479 kcal/mol (17168.0945 without restraints) Performing minimization step: 427. Total energy = 17158.9289 kcal/mol (17149.7808 without restraints) Performing minimization step: 428. Total energy = 17140.6533 kcal/mol (17131.5108 without restraints) Performing minimization step: 429. Total energy = 17122.4214 kcal/mol (17113.2841 without restraints) Performing minimization step: 430. Total energy = 17104.2322 kcal/mol (17095.1003 without restraints) Performing minimization step: 431. Total energy = 17086.0869 kcal/mol (17076.9604 without restraints) Performing minimization step: 432. Total energy = 17067.9849 kcal/mol (17058.8637 without restraints) Performing minimization step: 433. Total energy = 17049.9257 kcal/mol (17040.8098 without restraints) Performing minimization step: 434. Total energy = 17031.9095 kcal/mol (17022.7991 without restraints) Performing minimization step: 435. Total energy = 17013.9363 kcal/mol (17004.8309 without restraints) Performing minimization step: 436. Total energy = 16996.0053 kcal/mol (16986.9052 without restraints) Performing minimization step: 437. Total energy = 16978.1165 kcal/mol (16969.0217 without restraints) Performing minimization step: 438. Total energy = 16960.2700 kcal/mol (16951.1805 without restraints) Performing minimization step: 439. Total energy = 16942.4659 kcal/mol (16933.3816 without restraints) Performing minimization step: 440. Total energy = 16924.7039 kcal/mol (16915.6247 without restraints) Performing minimization step: 441. Total energy = 16906.9839 kcal/mol (16897.9098 without restraints) Performing minimization step: 442. Total energy = 16889.3052 kcal/mol (16880.2364 without restraints) Performing minimization step: 443. Total energy = 16871.6690 kcal/mol (16862.6053 without restraints) Performing minimization step: 444. Total energy = 16854.0732 kcal/mol (16845.0147 without restraints) Performing minimization step: 445. Total energy = 16836.5196 kcal/mol (16827.4663 without restraints) Performing minimization step: 446. Total energy = 16819.0076 kcal/mol (16809.9593 without restraints) Performing minimization step: 447. Total energy = 16801.5366 kcal/mol (16792.4936 without restraints) Performing minimization step: 448. Total energy = 16784.1061 kcal/mol (16775.0680 without restraints) Performing minimization step: 449. Total energy = 16766.7170 kcal/mol (16757.6840 without restraints) Performing minimization step: 450. Total energy = 16749.3684 kcal/mol (16740.3404 without restraints) Performing minimization step: 451. Total energy = 16732.0604 kcal/mol (16723.0373 without restraints) Performing minimization step: 452. Total energy = 16714.7935 kcal/mol (16705.7758 without restraints) Performing minimization step: 453. Total energy = 16697.5671 kcal/mol (16688.5543 without restraints) Performing minimization step: 454. Total energy = 16680.3808 kcal/mol (16671.3729 without restraints) Performing minimization step: 455. Total energy = 16663.2344 kcal/mol (16654.2315 without restraints) Performing minimization step: 456. Total energy = 16646.1280 kcal/mol (16637.1301 without restraints) Performing minimization step: 457. Total energy = 16629.0619 kcal/mol (16620.0690 without restraints) Performing minimization step: 458. Total energy = 16612.0356 kcal/mol (16603.0475 without restraints) Performing minimization step: 459. Total energy = 16595.0490 kcal/mol (16586.0659 without restraints) Performing minimization step: 460. Total energy = 16578.1019 kcal/mol (16569.1237 without restraints) Performing minimization step: 461. Total energy = 16561.1940 kcal/mol (16552.2207 without restraints) Performing minimization step: 462. Total energy = 16544.3254 kcal/mol (16535.3571 without restraints) Performing minimization step: 463. Total energy = 16527.4963 kcal/mol (16518.5329 without restraints) Performing minimization step: 464. Total energy = 16510.7065 kcal/mol (16501.7479 without restraints) Performing minimization step: 465. Total energy = 16493.9559 kcal/mol (16485.0021 without restraints) Performing minimization step: 466. Total energy = 16477.2440 kcal/mol (16468.2951 without restraints) Performing minimization step: 467. Total energy = 16460.5710 kcal/mol (16451.6269 without restraints) Performing minimization step: 468. Total energy = 16443.9363 kcal/mol (16434.9970 without restraints) Performing minimization step: 469. Total energy = 16427.3410 kcal/mol (16418.4066 without restraints) Performing minimization step: 470. Total energy = 16410.7839 kcal/mol (16401.8543 without restraints) Performing minimization step: 471. Total energy = 16394.2652 kcal/mol (16385.3403 without restraints) Performing minimization step: 472. Total energy = 16377.7844 kcal/mol (16368.8643 without restraints) Performing minimization step: 473. Total energy = 16361.3414 kcal/mol (16352.4260 without restraints) Performing minimization step: 474. Total energy = 16344.9368 kcal/mol (16336.0262 without restraints) Performing minimization step: 475. Total energy = 16328.5697 kcal/mol (16319.6638 without restraints) Performing minimization step: 476. Total energy = 16312.2408 kcal/mol (16303.3397 without restraints) Performing minimization step: 477. Total energy = 16295.9494 kcal/mol (16287.0530 without restraints) Performing minimization step: 478. Total energy = 16279.6959 kcal/mol (16270.8042 without restraints) Performing minimization step: 479. Total energy = 16263.4798 kcal/mol (16254.5927 without restraints) Performing minimization step: 480. Total energy = 16247.3012 kcal/mol (16238.4188 without restraints) Performing minimization step: 481. Total energy = 16231.1596 kcal/mol (16222.2819 without restraints) Performing minimization step: 482. Total energy = 16215.0555 kcal/mol (16206.1824 without restraints) Performing minimization step: 483. Total energy = 16198.9885 kcal/mol (16190.1201 without restraints) Performing minimization step: 484. Total energy = 16182.9581 kcal/mol (16174.0943 without restraints) Performing minimization step: 485. Total energy = 16166.9649 kcal/mol (16158.1056 without restraints) Performing minimization step: 486. Total energy = 16151.0082 kcal/mol (16142.1536 without restraints) Performing minimization step: 487. Total energy = 16135.0882 kcal/mol (16126.2381 without restraints) Performing minimization step: 488. Total energy = 16119.2047 kcal/mol (16110.3593 without restraints) Performing minimization step: 489. Total energy = 16103.3576 kcal/mol (16094.5169 without restraints) Performing minimization step: 490. Total energy = 16087.5475 kcal/mol (16078.7113 without restraints) Performing minimization step: 491. Total energy = 16071.7733 kcal/mol (16062.9416 without restraints) Performing minimization step: 492. Total energy = 16056.0351 kcal/mol (16047.2078 without restraints) Performing minimization step: 493. Total energy = 16040.3329 kcal/mol (16031.5101 without restraints) Performing minimization step: 494. Total energy = 16024.6665 kcal/mol (16015.8484 without restraints) Performing minimization step: 495. Total energy = 16009.0363 kcal/mol (16000.2226 without restraints) Performing minimization step: 496. Total energy = 15993.4416 kcal/mol (15984.6323 without restraints) Performing minimization step: 497. Total energy = 15977.8823 kcal/mol (15969.0777 without restraints) Performing minimization step: 498. Total energy = 15962.3586 kcal/mol (15953.5583 without restraints) Performing minimization step: 499. Total energy = 15946.8704 kcal/mol (15938.0746 without restraints) Performing minimization step: 500. Total energy = 15931.4177 kcal/mol (15922.6263 without restraints) Writing PDB file: /home/ubuntu/rna-tools/rna_tools/tools/webserver-engine/media/jobs/50163f44/tmp/CPMA3_refx/CPMA3_refx.pdb ...Done. Performing minimization step: 501. Total energy = 15916.0005 kcal/mol (15907.2137 without restraints) Performing minimization step: 502. Total energy = 15900.6179 kcal/mol (15891.8354 without restraints) Performing minimization step: 503. Total energy = 15885.2698 kcal/mol (15876.4917 without restraints) Performing minimization step: 504. Total energy = 15869.9572 kcal/mol (15861.1835 without restraints) Performing minimization step: 505. Total energy = 15854.6792 kcal/mol (15845.9099 without restraints) Performing minimization step: 506. Total energy = 15839.4362 kcal/mol (15830.6712 without restraints) Performing minimization step: 507. Total energy = 15824.2278 kcal/mol (15815.4671 without restraints) Performing minimization step: 508. Total energy = 15809.0539 kcal/mol (15800.2976 without restraints) Performing minimization step: 509. Total energy = 15793.9146 kcal/mol (15785.1627 without restraints) Performing minimization step: 510. Total energy = 15778.8095 kcal/mol (15770.0619 without restraints) Performing minimization step: 511. Total energy = 15763.7387 kcal/mol (15754.9954 without restraints) Performing minimization step: 512. Total energy = 15748.7023 kcal/mol (15739.9633 without restraints) Performing minimization step: 513. Total energy = 15733.6999 kcal/mol (15724.9652 without restraints) Performing minimization step: 514. Total energy = 15718.7310 kcal/mol (15710.0007 without restraints) Performing minimization step: 515. Total energy = 15703.7958 kcal/mol (15695.0697 without restraints) Performing minimization step: 516. Total energy = 15688.8946 kcal/mol (15680.1727 without restraints) Performing minimization step: 517. Total energy = 15674.0270 kcal/mol (15665.3094 without restraints) Performing minimization step: 518. Total energy = 15659.1932 kcal/mol (15650.4798 without restraints) Performing minimization step: 519. Total energy = 15644.3924 kcal/mol (15635.6833 without restraints) Performing minimization step: 520. Total energy = 15629.6257 kcal/mol (15620.9208 without restraints) Performing minimization step: 521. Total energy = 15614.8917 kcal/mol (15606.1910 without restraints) Performing minimization step: 522. Total energy = 15600.1913 kcal/mol (15591.4947 without restraints) Performing minimization step: 523. Total energy = 15585.5240 kcal/mol (15576.8318 without restraints) Performing minimization step: 524. Total energy = 15570.8894 kcal/mol (15562.2012 without restraints) Performing minimization step: 525. Total energy = 15556.2878 kcal/mol (15547.6039 without restraints) Performing minimization step: 526. Total energy = 15541.7195 kcal/mol (15533.0397 without restraints) Performing minimization step: 527. Total energy = 15527.1834 kcal/mol (15518.5079 without restraints) Performing minimization step: 528. Total energy = 15512.6805 kcal/mol (15504.0092 without restraints) Performing minimization step: 529. Total energy = 15498.2098 kcal/mol (15489.5425 without restraints) Performing minimization step: 530. Total energy = 15483.7718 kcal/mol (15475.1087 without restraints) Performing minimization step: 531. Total energy = 15469.3660 kcal/mol (15460.7070 without restraints) Performing minimization step: 532. Total energy = 15454.9927 kcal/mol (15446.3378 without restraints) Performing minimization step: 533. Total energy = 15440.6512 kcal/mol (15432.0003 without restraints) Performing minimization step: 534. Total energy = 15426.3415 kcal/mol (15417.6946 without restraints) Performing minimization step: 535. Total energy = 15412.0640 kcal/mol (15403.4212 without restraints) Performing minimization step: 536. Total energy = 15397.8187 kcal/mol (15389.1801 without restraints) Performing minimization step: 537. Total energy = 15383.6052 kcal/mol (15374.9706 without restraints) Performing minimization step: 538. Total energy = 15369.4239 kcal/mol (15360.7934 without restraints) Performing minimization step: 539. Total energy = 15355.2738 kcal/mol (15346.6473 without restraints) Performing minimization step: 540. Total energy = 15341.1552 kcal/mol (15332.5327 without restraints) Performing minimization step: 541. Total energy = 15327.0679 kcal/mol (15318.4494 without restraints) Performing minimization step: 542. Total energy = 15313.0120 kcal/mol (15304.3976 without restraints) Performing minimization step: 543. Total energy = 15298.9871 kcal/mol (15290.3766 without restraints) Performing minimization step: 544. Total energy = 15284.9940 kcal/mol (15276.3876 without restraints) Performing minimization step: 545. Total energy = 15271.0320 kcal/mol (15262.4295 without restraints) Performing minimization step: 546. Total energy = 15257.1011 kcal/mol (15248.5025 without restraints) Performing minimization step: 547. Total energy = 15243.2007 kcal/mol (15234.6062 without restraints) Performing minimization step: 548. Total energy = 15229.3312 kcal/mol (15220.7406 without restraints) Performing minimization step: 549. Total energy = 15215.4925 kcal/mol (15206.9059 without restraints) Performing minimization step: 550. Total energy = 15201.6842 kcal/mol (15193.1012 without restraints) Performing minimization step: 551. Total energy = 15187.9063 kcal/mol (15179.3275 without restraints) Performing minimization step: 552. Total energy = 15174.1593 kcal/mol (15165.5842 without restraints) Performing minimization step: 553. Total energy = 15160.4428 kcal/mol (15151.8718 without restraints) Performing minimization step: 554. Total energy = 15146.7567 kcal/mol (15138.1896 without restraints) Performing minimization step: 555. Total energy = 15133.1006 kcal/mol (15124.5373 without restraints) Performing minimization step: 556. Total energy = 15119.4752 kcal/mol (15110.9158 without restraints) Performing minimization step: 557. Total energy = 15105.8796 kcal/mol (15097.3240 without restraints) Performing minimization step: 558. Total energy = 15092.3134 kcal/mol (15083.7617 without restraints) Performing minimization step: 559. Total energy = 15078.7771 kcal/mol (15070.2293 without restraints) Performing minimization step: 560. Total energy = 15065.2708 kcal/mol (15056.7268 without restraints) Performing minimization step: 561. Total energy = 15051.7940 kcal/mol (15043.2539 without restraints) Performing minimization step: 562. Total energy = 15038.3473 kcal/mol (15029.8110 without restraints) Performing minimization step: 563. Total energy = 15024.9305 kcal/mol (15016.3981 without restraints) Performing minimization step: 564. Total energy = 15011.5428 kcal/mol (15003.0140 without restraints) Performing minimization step: 565. Total energy = 14998.1840 kcal/mol (14989.6590 without restraints) Performing minimization step: 566. Total energy = 14984.8549 kcal/mol (14976.3338 without restraints) Performing minimization step: 567. Total energy = 14971.5551 kcal/mol (14963.0377 without restraints) Performing minimization step: 568. Total energy = 14958.2842 kcal/mol (14949.7706 without restraints) Performing minimization step: 569. Total energy = 14945.0422 kcal/mol (14936.5324 without restraints) Performing minimization step: 570. Total energy = 14931.8298 kcal/mol (14923.3237 without restraints) Performing minimization step: 571. Total energy = 14918.6462 kcal/mol (14910.1438 without restraints) Performing minimization step: 572. Total energy = 14905.4912 kcal/mol (14896.9925 without restraints) Performing minimization step: 573. Total energy = 14892.3646 kcal/mol (14883.8696 without restraints) Performing minimization step: 574. Total energy = 14879.2668 kcal/mol (14870.7755 without restraints) Performing minimization step: 575. Total energy = 14866.1974 kcal/mol (14857.7099 without restraints) Performing minimization step: 576. Total energy = 14853.1565 kcal/mol (14844.6725 without restraints) Performing minimization step: 577. Total energy = 14840.1440 kcal/mol (14831.6638 without restraints) Performing minimization step: 578. Total energy = 14827.1599 kcal/mol (14818.6834 without restraints) Performing minimization step: 579. Total energy = 14814.2041 kcal/mol (14805.7312 without restraints) Performing minimization step: 580. Total energy = 14801.2766 kcal/mol (14792.8074 without restraints) Performing minimization step: 581. Total energy = 14788.3767 kcal/mol (14779.9112 without restraints) Performing minimization step: 582. Total energy = 14775.5052 kcal/mol (14767.0432 without restraints) Performing minimization step: 583. Total energy = 14762.6611 kcal/mol (14754.2028 without restraints) Performing minimization step: 584. Total energy = 14749.8452 kcal/mol (14741.3905 without restraints) Performing minimization step: 585. Total energy = 14737.0569 kcal/mol (14728.6058 without restraints) Performing minimization step: 586. Total energy = 14724.2964 kcal/mol (14715.8489 without restraints) Performing minimization step: 587. Total energy = 14711.5632 kcal/mol (14703.1193 without restraints) Performing minimization step: 588. Total energy = 14698.8574 kcal/mol (14690.4169 without restraints) Performing minimization step: 589. Total energy = 14686.1788 kcal/mol (14677.7421 without restraints) Performing minimization step: 590. Total energy = 14673.5276 kcal/mol (14665.0944 without restraints) Performing minimization step: 591. Total energy = 14660.9038 kcal/mol (14652.4742 without restraints) Performing minimization step: 592. Total energy = 14648.3073 kcal/mol (14639.8813 without restraints) Performing minimization step: 593. Total energy = 14635.7378 kcal/mol (14627.3153 without restraints) Performing minimization step: 594. Total energy = 14623.1950 kcal/mol (14614.7760 without restraints) Performing minimization step: 595. Total energy = 14610.6795 kcal/mol (14602.2641 without restraints) Performing minimization step: 596. Total energy = 14598.1905 kcal/mol (14589.7785 without restraints) Performing minimization step: 597. Total energy = 14585.7280 kcal/mol (14577.3196 without restraints) Performing minimization step: 598. Total energy = 14573.2926 kcal/mol (14564.8877 without restraints) Performing minimization step: 599. Total energy = 14560.8840 kcal/mol (14552.4826 without restraints) Performing minimization step: 600. Total energy = 14548.5020 kcal/mol (14540.1040 without restraints) Writing PDB file: /home/ubuntu/rna-tools/rna_tools/tools/webserver-engine/media/jobs/50163f44/tmp/CPMA3_refx/CPMA3_refx.pdb ...Done. Performing minimization step: 601. Total energy = 14536.1464 kcal/mol (14527.7521 without restraints) Performing minimization step: 602. Total energy = 14523.8172 kcal/mol (14515.4261 without restraints) Performing minimization step: 603. Total energy = 14511.5148 kcal/mol (14503.1272 without restraints) Performing minimization step: 604. Total energy = 14499.2382 kcal/mol (14490.8542 without restraints) Performing minimization step: 605. Total energy = 14486.9873 kcal/mol (14478.6065 without restraints) Performing minimization step: 606. Total energy = 14474.7623 kcal/mol (14466.3850 without restraints) Performing minimization step: 607. Total energy = 14462.5635 kcal/mol (14454.1896 without restraints) Performing minimization step: 608. Total energy = 14450.3904 kcal/mol (14442.0199 without restraints) Performing minimization step: 609. Total energy = 14438.2438 kcal/mol (14429.8768 without restraints) Performing minimization step: 610. Total energy = 14426.1220 kcal/mol (14417.7582 without restraints) Performing minimization step: 611. Total energy = 14414.0262 kcal/mol (14405.6660 without restraints) Performing minimization step: 612. Total energy = 14401.9560 kcal/mol (14393.5991 without restraints) Performing minimization step: 613. Total energy = 14389.9113 kcal/mol (14381.5577 without restraints) Performing minimization step: 614. Total energy = 14377.8921 kcal/mol (14369.5419 without restraints) Performing minimization step: 615. Total energy = 14365.8981 kcal/mol (14357.5513 without restraints) Performing minimization step: 616. Total energy = 14353.9291 kcal/mol (14345.5857 without restraints) Performing minimization step: 617. Total energy = 14341.9854 kcal/mol (14333.6453 without restraints) Performing minimization step: 618. Total energy = 14330.0669 kcal/mol (14321.7301 without restraints) Performing minimization step: 619. Total energy = 14318.1737 kcal/mol (14309.8403 without restraints) Performing minimization step: 620. Total energy = 14306.3051 kcal/mol (14297.9750 without restraints) Performing minimization step: 621. Total energy = 14294.4627 kcal/mol (14286.1357 without restraints) Performing minimization step: 622. Total energy = 14282.6442 kcal/mol (14274.3207 without restraints) Performing minimization step: 623. Total energy = 14270.8502 kcal/mol (14262.5300 without restraints) Performing minimization step: 624. Total energy = 14259.0808 kcal/mol (14250.7637 without restraints) Performing minimization step: 625. Total energy = 14247.3359 kcal/mol (14239.0221 without restraints) Performing minimization step: 626. Total energy = 14235.6155 kcal/mol (14227.3051 without restraints) Performing minimization step: 627. Total energy = 14223.9200 kcal/mol (14215.6130 without restraints) Performing minimization step: 628. Total energy = 14212.2490 kcal/mol (14203.9451 without restraints) Performing minimization step: 629. Total energy = 14200.6022 kcal/mol (14192.3015 without restraints) Performing minimization step: 630. Total energy = 14188.9796 kcal/mol (14180.6824 without restraints) Performing minimization step: 631. Total energy = 14177.3812 kcal/mol (14169.0871 without restraints) Performing minimization step: 632. Total energy = 14165.8066 kcal/mol (14157.5156 without restraints) Performing minimization step: 633. Total energy = 14154.2556 kcal/mol (14145.9678 without restraints) Performing minimization step: 634. Total energy = 14142.7284 kcal/mol (14134.4438 without restraints) Performing minimization step: 635. Total energy = 14131.2255 kcal/mol (14122.9441 without restraints) Performing minimization step: 636. Total energy = 14119.7463 kcal/mol (14111.4681 without restraints) Performing minimization step: 637. Total energy = 14108.2909 kcal/mol (14100.0160 without restraints) Performing minimization step: 638. Total energy = 14096.8589 kcal/mol (14088.5871 without restraints) Performing minimization step: 639. Total energy = 14085.4508 kcal/mol (14077.1822 without restraints) Performing minimization step: 640. Total energy = 14074.0657 kcal/mol (14065.8002 without restraints) Performing minimization step: 641. Total energy = 14062.7041 kcal/mol (14054.4418 without restraints) Performing minimization step: 642. Total energy = 14051.3661 kcal/mol (14043.1069 without restraints) Performing minimization step: 643. Total energy = 14040.0512 kcal/mol (14031.7952 without restraints) Performing minimization step: 644. Total energy = 14028.7596 kcal/mol (14020.5067 without restraints) Performing minimization step: 645. Total energy = 14017.4915 kcal/mol (14009.2417 without restraints) Performing minimization step: 646. Total energy = 14006.2465 kcal/mol (13997.9999 without restraints) Performing minimization step: 647. Total energy = 13995.0241 kcal/mol (13986.7806 without restraints) Performing minimization step: 648. Total energy = 13983.8248 kcal/mol (13975.5843 without restraints) Performing minimization step: 649. Total energy = 13972.6475 kcal/mol (13964.4101 without restraints) Performing minimization step: 650. Total energy = 13961.4937 kcal/mol (13953.2594 without restraints) Performing minimization step: 651. Total energy = 13950.3625 kcal/mol (13942.1313 without restraints) Performing minimization step: 652. Total energy = 13939.2534 kcal/mol (13931.0251 without restraints) Performing minimization step: 653. Total energy = 13928.1677 kcal/mol (13919.9426 without restraints) Performing minimization step: 654. Total energy = 13917.1039 kcal/mol (13908.8819 without restraints) Performing minimization step: 655. Total energy = 13906.0627 kcal/mol (13897.8437 without restraints) Performing minimization step: 656. Total energy = 13895.0438 kcal/mol (13886.8279 without restraints) Performing minimization step: 657. Total energy = 13884.0472 kcal/mol (13875.8343 without restraints) Performing minimization step: 658. Total energy = 13873.0728 kcal/mol (13864.8629 without restraints) Performing minimization step: 659. Total energy = 13862.1205 kcal/mol (13853.9137 without restraints) Performing minimization step: 660. Total energy = 13851.1903 kcal/mol (13842.9865 without restraints) Performing minimization step: 661. Total energy = 13840.2821 kcal/mol (13832.0813 without restraints) Performing minimization step: 662. Total energy = 13829.3960 kcal/mol (13821.1983 without restraints) Performing minimization step: 663. Total energy = 13818.5318 kcal/mol (13810.3370 without restraints) Performing minimization step: 664. Total energy = 13807.6891 kcal/mol (13799.4971 without restraints) Performing minimization step: 665. Total energy = 13796.8681 kcal/mol (13788.6792 without restraints) Performing minimization step: 666. Total energy = 13786.0690 kcal/mol (13777.8831 without restraints) Performing minimization step: 667. Total energy = 13775.2911 kcal/mol (13767.1081 without restraints) Performing minimization step: 668. Total energy = 13764.5340 kcal/mol (13756.3539 without restraints) Performing minimization step: 669. Total energy = 13753.7993 kcal/mol (13745.6221 without restraints) Performing minimization step: 670. Total energy = 13743.0855 kcal/mol (13734.9114 without restraints) Performing minimization step: 671. Total energy = 13732.3935 kcal/mol (13724.2223 without restraints) Performing minimization step: 672. Total energy = 13721.7226 kcal/mol (13713.5544 without restraints) Performing minimization step: 673. Total energy = 13711.0728 kcal/mol (13702.9075 without restraints) Performing minimization step: 674. Total energy = 13700.4441 kcal/mol (13692.2817 without restraints) Performing minimization step: 675. Total energy = 13689.8366 kcal/mol (13681.6771 without restraints) Performing minimization step: 676. Total energy = 13679.2499 kcal/mol (13671.0932 without restraints) Performing minimization step: 677. Total energy = 13668.6845 kcal/mol (13660.5308 without restraints) Performing minimization step: 678. Total energy = 13658.1396 kcal/mol (13649.9888 without restraints) Performing minimization step: 679. Total energy = 13647.6156 kcal/mol (13639.4676 without restraints) Performing minimization step: 680. Total energy = 13637.1126 kcal/mol (13628.9675 without restraints) Performing minimization step: 681. Total energy = 13626.6296 kcal/mol (13618.4873 without restraints) Performing minimization step: 682. Total energy = 13616.1675 kcal/mol (13608.0281 without restraints) Performing minimization step: 683. Total energy = 13605.7260 kcal/mol (13597.5894 without restraints) Performing minimization step: 684. Total energy = 13595.3046 kcal/mol (13587.1710 without restraints) Performing minimization step: 685. Total energy = 13584.9039 kcal/mol (13576.7730 without restraints) Performing minimization step: 686. Total energy = 13574.5236 kcal/mol (13566.3957 without restraints) Performing minimization step: 687. Total energy = 13564.1635 kcal/mol (13556.0384 without restraints) Performing minimization step: 688. Total energy = 13553.8235 kcal/mol (13545.7012 without restraints) Performing minimization step: 689. Total energy = 13543.5037 kcal/mol (13535.3842 without restraints) Performing minimization step: 690. Total energy = 13533.2044 kcal/mol (13525.0876 without restraints) Performing minimization step: 691. Total energy = 13522.9246 kcal/mol (13514.8107 without restraints) Performing minimization step: 692. Total energy = 13512.6647 kcal/mol (13504.5535 without restraints) Performing minimization step: 693. Total energy = 13502.4247 kcal/mol (13494.3164 without restraints) Performing minimization step: 694. Total energy = 13492.2045 kcal/mol (13484.0989 without restraints) Performing minimization step: 695. Total energy = 13482.0041 kcal/mol (13473.9013 without restraints) Performing minimization step: 696. Total energy = 13471.8232 kcal/mol (13463.7232 without restraints) Performing minimization step: 697. Total energy = 13461.6624 kcal/mol (13453.5652 without restraints) Performing minimization step: 698. Total energy = 13451.5209 kcal/mol (13443.4264 without restraints) Performing minimization step: 699. Total energy = 13441.3988 kcal/mol (13433.3070 without restraints) Performing minimization step: 700. Total energy = 13431.2963 kcal/mol (13423.2073 without restraints) Writing PDB file: /home/ubuntu/rna-tools/rna_tools/tools/webserver-engine/media/jobs/50163f44/tmp/CPMA3_refx/CPMA3_refx.pdb ...Done. Performing minimization step: 701. Total energy = 13421.2130 kcal/mol (13413.1268 without restraints) Performing minimization step: 702. Total energy = 13411.1489 kcal/mol (13403.0654 without restraints) Performing minimization step: 703. Total energy = 13401.1041 kcal/mol (13393.0233 without restraints) Performing minimization step: 704. Total energy = 13391.0787 kcal/mol (13383.0006 without restraints) Performing minimization step: 705. Total energy = 13381.0717 kcal/mol (13372.9962 without restraints) Performing minimization step: 706. Total energy = 13371.0840 kcal/mol (13363.0113 without restraints) Performing minimization step: 707. Total energy = 13361.1153 kcal/mol (13353.0453 without restraints) Performing minimization step: 708. Total energy = 13351.1658 kcal/mol (13343.0986 without restraints) Performing minimization step: 709. Total energy = 13341.2353 kcal/mol (13333.1707 without restraints) Performing minimization step: 710. Total energy = 13331.3235 kcal/mol (13323.2616 without restraints) Performing minimization step: 711. Total energy = 13321.4304 kcal/mol (13313.3712 without restraints) Performing minimization step: 712. Total energy = 13311.5556 kcal/mol (13303.4990 without restraints) Performing minimization step: 713. Total energy = 13301.6997 kcal/mol (13293.6457 without restraints) Performing minimization step: 714. Total energy = 13291.8626 kcal/mol (13283.8114 without restraints) Performing minimization step: 715. Total energy = 13282.0442 kcal/mol (13273.9956 without restraints) Performing minimization step: 716. Total energy = 13272.2442 kcal/mol (13264.1983 without restraints) Performing minimization step: 717. Total energy = 13262.4624 kcal/mol (13254.4190 without restraints) Performing minimization step: 718. Total energy = 13252.6989 kcal/mol (13244.6582 without restraints) Performing minimization step: 719. Total energy = 13242.9536 kcal/mol (13234.9156 without restraints) Performing minimization step: 720. Total energy = 13233.2266 kcal/mol (13225.1912 without restraints) Performing minimization step: 721. Total energy = 13223.5178 kcal/mol (13215.4850 without restraints) Performing minimization step: 722. Total energy = 13213.8272 kcal/mol (13205.7970 without restraints) Performing minimization step: 723. Total energy = 13204.1548 kcal/mol (13196.1272 without restraints) Performing minimization step: 724. Total energy = 13194.5003 kcal/mol (13186.4752 without restraints) Performing minimization step: 725. Total energy = 13184.8634 kcal/mol (13176.8410 without restraints) Performing minimization step: 726. Total energy = 13175.2445 kcal/mol (13167.2246 without restraints) Performing minimization step: 727. Total energy = 13165.6434 kcal/mol (13157.6262 without restraints) Performing minimization step: 728. Total energy = 13156.0605 kcal/mol (13148.0458 without restraints) Performing minimization step: 729. Total energy = 13146.4949 kcal/mol (13138.4828 without restraints) Performing minimization step: 730. Total energy = 13136.9472 kcal/mol (13128.9376 without restraints) Performing minimization step: 731. Total energy = 13127.4162 kcal/mol (13119.4092 without restraints) Performing minimization step: 732. Total energy = 13117.9034 kcal/mol (13109.8991 without restraints) Performing minimization step: 733. Total energy = 13108.4081 kcal/mol (13100.4062 without restraints) Performing minimization step: 734. Total energy = 13098.9298 kcal/mol (13090.9303 without restraints) Performing minimization step: 735. Total energy = 13089.4688 kcal/mol (13081.4718 without restraints) Performing minimization step: 736. Total energy = 13080.0249 kcal/mol (13072.0307 without restraints) Performing minimization step: 737. Total energy = 13070.5986 kcal/mol (13062.6069 without restraints) Performing minimization step: 738. Total energy = 13061.1895 kcal/mol (13053.2003 without restraints) Performing minimization step: 739. Total energy = 13051.7977 kcal/mol (13043.8110 without restraints) Performing minimization step: 740. Total energy = 13042.4231 kcal/mol (13034.4390 without restraints) Performing minimization step: 741. Total energy = 13033.0655 kcal/mol (13025.0838 without restraints) Performing minimization step: 742. Total energy = 13023.7248 kcal/mol (13015.7456 without restraints) Performing minimization step: 743. Total energy = 13014.4011 kcal/mol (13006.4243 without restraints) Performing minimization step: 744. Total energy = 13005.0938 kcal/mol (12997.1196 without restraints) Performing minimization step: 745. Total energy = 12995.8037 kcal/mol (12987.8319 without restraints) Performing minimization step: 746. Total energy = 12986.5307 kcal/mol (12978.5615 without restraints) Performing minimization step: 747. Total energy = 12977.2742 kcal/mol (12969.3074 without restraints) Performing minimization step: 748. Total energy = 12968.0343 kcal/mol (12960.0700 without restraints) Performing minimization step: 749. Total energy = 12958.8112 kcal/mol (12950.8493 without restraints) Performing minimization step: 750. Total energy = 12949.6042 kcal/mol (12941.6448 without restraints) Performing minimization step: 751. Total energy = 12940.4138 kcal/mol (12932.4568 without restraints) Performing minimization step: 752. Total energy = 12931.2397 kcal/mol (12923.2852 without restraints) Performing minimization step: 753. Total energy = 12922.0821 kcal/mol (12914.1300 without restraints) Performing minimization step: 754. Total energy = 12912.9409 kcal/mol (12904.9913 without restraints) Performing minimization step: 755. Total energy = 12903.8162 kcal/mol (12895.8689 without restraints) Performing minimization step: 756. Total energy = 12894.7076 kcal/mol (12886.7628 without restraints) Performing minimization step: 757. Total energy = 12885.6148 kcal/mol (12877.6724 without restraints) Performing minimization step: 758. Total energy = 12876.5384 kcal/mol (12868.5985 without restraints) Performing minimization step: 759. Total energy = 12867.4780 kcal/mol (12859.5406 without restraints) Performing minimization step: 760. Total energy = 12858.4337 kcal/mol (12850.4986 without restraints) Performing minimization step: 761. Total energy = 12849.4053 kcal/mol (12841.4726 without restraints) Performing minimization step: 762. Total energy = 12840.3928 kcal/mol (12832.4625 without restraints) Performing minimization step: 763. Total energy = 12831.3961 kcal/mol (12823.4682 without restraints) Performing minimization step: 764. Total energy = 12822.4154 kcal/mol (12814.4899 without restraints) Performing minimization step: 765. Total energy = 12813.4506 kcal/mol (12805.5275 without restraints) Performing minimization step: 766. Total energy = 12804.5012 kcal/mol (12796.5804 without restraints) Performing minimization step: 767. Total energy = 12795.5672 kcal/mol (12787.6488 without restraints) Performing minimization step: 768. Total energy = 12786.6489 kcal/mol (12778.7329 without restraints) Performing minimization step: 769. Total energy = 12777.7461 kcal/mol (12769.8324 without restraints) Performing minimization step: 770. Total energy = 12768.8589 kcal/mol (12760.9475 without restraints) Performing minimization step: 771. Total energy = 12759.9871 kcal/mol (12752.0781 without restraints) Performing minimization step: 772. Total energy = 12751.1305 kcal/mol (12743.2239 without restraints) Performing minimization step: 773. Total energy = 12742.2895 kcal/mol (12734.3852 without restraints) Performing minimization step: 774. Total energy = 12733.4641 kcal/mol (12725.5622 without restraints) Performing minimization step: 775. Total energy = 12724.6540 kcal/mol (12716.7543 without restraints) Performing minimization step: 776. Total energy = 12715.8589 kcal/mol (12707.9617 without restraints) Performing minimization step: 777. Total energy = 12707.0787 kcal/mol (12699.1837 without restraints) Performing minimization step: 778. Total energy = 12698.3142 kcal/mol (12690.4216 without restraints) Performing minimization step: 779. Total energy = 12689.5646 kcal/mol (12681.6743 without restraints) Performing minimization step: 780. Total energy = 12680.8304 kcal/mol (12672.9424 without restraints) Performing minimization step: 781. Total energy = 12672.1107 kcal/mol (12664.2251 without restraints) Performing minimization step: 782. Total energy = 12663.4058 kcal/mol (12655.5226 without restraints) Performing minimization step: 783. Total energy = 12654.7165 kcal/mol (12646.8355 without restraints) Performing minimization step: 784. Total energy = 12646.0416 kcal/mol (12638.1628 without restraints) Performing minimization step: 785. Total energy = 12637.3813 kcal/mol (12629.5049 without restraints) Performing minimization step: 786. Total energy = 12628.7357 kcal/mol (12620.8615 without restraints) Performing minimization step: 787. Total energy = 12620.1046 kcal/mol (12612.2326 without restraints) Performing minimization step: 788. Total energy = 12611.4885 kcal/mol (12603.6190 without restraints) Performing minimization step: 789. Total energy = 12602.8871 kcal/mol (12595.0198 without restraints) Performing minimization step: 790. Total energy = 12594.3003 kcal/mol (12586.4351 without restraints) Performing minimization step: 791. Total energy = 12585.7279 kcal/mol (12577.8651 without restraints) Performing minimization step: 792. Total energy = 12577.1698 kcal/mol (12569.3091 without restraints) Performing minimization step: 793. Total energy = 12568.6263 kcal/mol (12560.7679 without restraints) Performing minimization step: 794. Total energy = 12560.0972 kcal/mol (12552.2413 without restraints) Performing minimization step: 795. Total energy = 12551.5825 kcal/mol (12543.7287 without restraints) Performing minimization step: 796. Total energy = 12543.0825 kcal/mol (12535.2310 without restraints) Performing minimization step: 797. Total energy = 12534.5959 kcal/mol (12526.7465 without restraints) Performing minimization step: 798. Total energy = 12526.1238 kcal/mol (12518.2767 without restraints) Performing minimization step: 799. Total energy = 12517.6655 kcal/mol (12509.8207 without restraints) Performing minimization step: 800. Total energy = 12509.2217 kcal/mol (12501.3790 without restraints) Writing PDB file: /home/ubuntu/rna-tools/rna_tools/tools/webserver-engine/media/jobs/50163f44/tmp/CPMA3_refx/CPMA3_refx.pdb ...Done. Performing minimization step: 801. Total energy = 12500.7919 kcal/mol (12492.9515 without restraints) Performing minimization step: 802. Total energy = 12492.3763 kcal/mol (12484.5382 without restraints) Performing minimization step: 803. Total energy = 12483.9745 kcal/mol (12476.1385 without restraints) Performing minimization step: 804. Total energy = 12475.5867 kcal/mol (12467.7530 without restraints) Performing minimization step: 805. Total energy = 12467.2127 kcal/mol (12459.3812 without restraints) Performing minimization step: 806. Total energy = 12458.8523 kcal/mol (12451.0230 without restraints) Performing minimization step: 807. Total energy = 12450.5057 kcal/mol (12442.6785 without restraints) Performing minimization step: 808. Total energy = 12442.1733 kcal/mol (12434.3484 without restraints) Performing minimization step: 809. Total energy = 12433.8547 kcal/mol (12426.0320 without restraints) Performing minimization step: 810. Total energy = 12425.5494 kcal/mol (12417.7288 without restraints) Performing minimization step: 811. Total energy = 12417.2581 kcal/mol (12409.4397 without restraints) Performing minimization step: 812. Total energy = 12408.9802 kcal/mol (12401.1640 without restraints) Performing minimization step: 813. Total energy = 12400.7158 kcal/mol (12392.9018 without restraints) Performing minimization step: 814. Total energy = 12392.4652 kcal/mol (12384.6535 without restraints) Performing minimization step: 815. Total energy = 12384.2281 kcal/mol (12376.4184 without restraints) Performing minimization step: 816. Total energy = 12376.0039 kcal/mol (12368.1964 without restraints) Performing minimization step: 817. Total energy = 12367.7933 kcal/mol (12359.9880 without restraints) Performing minimization step: 818. Total energy = 12359.5961 kcal/mol (12351.7929 without restraints) Performing minimization step: 819. Total energy = 12351.4123 kcal/mol (12343.6114 without restraints) Performing minimization step: 820. Total energy = 12343.2417 kcal/mol (12335.4428 without restraints) Performing minimization step: 821. Total energy = 12335.0847 kcal/mol (12327.2879 without restraints) Performing minimization step: 822. Total energy = 12326.9403 kcal/mol (12319.1458 without restraints) Performing minimization step: 823. Total energy = 12318.8088 kcal/mol (12311.0164 without restraints) Performing minimization step: 824. Total energy = 12310.6902 kcal/mol (12302.8999 without restraints) Performing minimization step: 825. Total energy = 12302.5854 kcal/mol (12294.7972 without restraints) Performing minimization step: 826. Total energy = 12294.4935 kcal/mol (12286.7074 without restraints) Performing minimization step: 827. Total energy = 12286.4144 kcal/mol (12278.6305 without restraints) Performing minimization step: 828. Total energy = 12278.3480 kcal/mol (12270.5662 without restraints) Performing minimization step: 829. Total energy = 12270.2947 kcal/mol (12262.5150 without restraints) Performing minimization step: 830. Total energy = 12262.2543 kcal/mol (12254.4767 without restraints) Performing minimization step: 831. Total energy = 12254.2268 kcal/mol (12246.4513 without restraints) Performing minimization step: 832. Total energy = 12246.2121 kcal/mol (12238.4388 without restraints) Performing minimization step: 833. Total energy = 12238.2102 kcal/mol (12230.4389 without restraints) Performing minimization step: 834. Total energy = 12230.2210 kcal/mol (12222.4519 without restraints) Performing minimization step: 835. Total energy = 12222.2443 kcal/mol (12214.4772 without restraints) Performing minimization step: 836. Total energy = 12214.2797 kcal/mol (12206.5148 without restraints) Performing minimization step: 837. Total energy = 12206.3284 kcal/mol (12198.5655 without restraints) Performing minimization step: 838. Total energy = 12198.3894 kcal/mol (12190.6286 without restraints) Performing minimization step: 839. Total energy = 12190.4633 kcal/mol (12182.7047 without restraints) Performing minimization step: 840. Total energy = 12182.5496 kcal/mol (12174.7930 without restraints) Performing minimization step: 841. Total energy = 12174.6480 kcal/mol (12166.8935 without restraints) Performing minimization step: 842. Total energy = 12166.7593 kcal/mol (12159.0068 without restraints) Performing minimization step: 843. Total energy = 12158.8833 kcal/mol (12151.1329 without restraints) Performing minimization step: 844. Total energy = 12151.0188 kcal/mol (12143.2704 without restraints) Performing minimization step: 845. Total energy = 12143.1672 kcal/mol (12135.4209 without restraints) Performing minimization step: 846. Total energy = 12135.3274 kcal/mol (12127.5833 without restraints) Performing minimization step: 847. Total energy = 12127.5004 kcal/mol (12119.7583 without restraints) Performing minimization step: 848. Total energy = 12119.6851 kcal/mol (12111.9450 without restraints) Performing minimization step: 849. Total energy = 12111.8818 kcal/mol (12104.1436 without restraints) Performing minimization step: 850. Total energy = 12104.0906 kcal/mol (12096.3547 without restraints) Performing minimization step: 851. Total energy = 12096.3115 kcal/mol (12088.5773 without restraints) Performing minimization step: 852. Total energy = 12088.5444 kcal/mol (12080.8125 without restraints) Performing minimization step: 853. Total energy = 12080.7898 kcal/mol (12073.0600 without restraints) Performing minimization step: 854. Total energy = 12073.0467 kcal/mol (12065.3189 without restraints) Performing minimization step: 855. Total energy = 12065.3158 kcal/mol (12057.5901 without restraints) Performing minimization step: 856. Total energy = 12057.5968 kcal/mol (12049.8730 without restraints) Performing minimization step: 857. Total energy = 12049.8895 kcal/mol (12042.1679 without restraints) Performing minimization step: 858. Total energy = 12042.1942 kcal/mol (12034.4745 without restraints) Performing minimization step: 859. Total energy = 12034.5108 kcal/mol (12026.7931 without restraints) Performing minimization step: 860. Total energy = 12026.8389 kcal/mol (12019.1233 without restraints) Performing minimization step: 861. Total energy = 12019.1788 kcal/mol (12011.4652 without restraints) Performing minimization step: 862. Total energy = 12011.5300 kcal/mol (12003.8184 without restraints) Performing minimization step: 863. Total energy = 12003.8932 kcal/mol (11996.1836 without restraints) Performing minimization step: 864. Total energy = 11996.2681 kcal/mol (11988.5607 without restraints) Performing minimization step: 865. Total energy = 11988.6548 kcal/mol (11980.9494 without restraints) Performing minimization step: 866. Total energy = 11981.0526 kcal/mol (11973.3490 without restraints) Performing minimization step: 867. Total energy = 11973.4623 kcal/mol (11965.7607 without restraints) Performing minimization step: 868. Total energy = 11965.8831 kcal/mol (11958.1835 without restraints) Performing minimization step: 869. Total energy = 11958.3155 kcal/mol (11950.6179 without restraints) Performing minimization step: 870. Total energy = 11950.7596 kcal/mol (11943.0640 without restraints) Performing minimization step: 871. Total energy = 11943.2149 kcal/mol (11935.5213 without restraints) Performing minimization step: 872. Total energy = 11935.6813 kcal/mol (11927.9895 without restraints) Performing minimization step: 873. Total energy = 11928.1587 kcal/mol (11920.4692 without restraints) Performing minimization step: 874. Total energy = 11920.6481 kcal/mol (11912.9604 without restraints) Performing minimization step: 875. Total energy = 11913.1486 kcal/mol (11905.4632 without restraints) Performing minimization step: 876. Total energy = 11905.6605 kcal/mol (11897.9768 without restraints) Performing minimization step: 877. Total energy = 11898.1835 kcal/mol (11890.5018 without restraints) Performing minimization step: 878. Total energy = 11890.7175 kcal/mol (11883.0375 without restraints) Performing minimization step: 879. Total energy = 11883.2627 kcal/mol (11875.5851 without restraints) Performing minimization step: 880. Total energy = 11875.8196 kcal/mol (11868.1439 without restraints) Performing minimization step: 881. Total energy = 11868.3872 kcal/mol (11860.7133 without restraints) Performing minimization step: 882. Total energy = 11860.9656 kcal/mol (11853.2937 without restraints) Performing minimization step: 883. Total energy = 11853.5547 kcal/mol (11845.8847 without restraints) Performing minimization step: 884. Total energy = 11846.1551 kcal/mol (11838.4871 without restraints) Performing minimization step: 885. Total energy = 11838.7668 kcal/mol (11831.1007 without restraints) Performing minimization step: 886. Total energy = 11831.3885 kcal/mol (11823.7244 without restraints) Performing minimization step: 887. Total energy = 11824.0218 kcal/mol (11816.3597 without restraints) Performing minimization step: 888. Total energy = 11816.6663 kcal/mol (11809.0061 without restraints) Performing minimization step: 889. Total energy = 11809.3213 kcal/mol (11801.6632 without restraints) Performing minimization step: 890. Total energy = 11801.9870 kcal/mol (11794.3307 without restraints) Performing minimization step: 891. Total energy = 11794.6633 kcal/mol (11787.0089 without restraints) Performing minimization step: 892. Total energy = 11787.3506 kcal/mol (11779.6982 without restraints) Performing minimization step: 893. Total energy = 11780.0483 kcal/mol (11772.3978 without restraints) Performing minimization step: 894. Total energy = 11772.7568 kcal/mol (11765.1082 without restraints) Performing minimization step: 895. Total energy = 11765.4759 kcal/mol (11757.8292 without restraints) Performing minimization step: 896. Total energy = 11758.2059 kcal/mol (11750.5612 without restraints) Performing minimization step: 897. Total energy = 11750.9464 kcal/mol (11743.3037 without restraints) Performing minimization step: 898. Total energy = 11743.6972 kcal/mol (11736.0563 without restraints) Performing minimization step: 899. Total energy = 11736.4586 kcal/mol (11728.8196 without restraints) Performing minimization step: 900. Total energy = 11729.2305 kcal/mol (11721.5935 without restraints) Writing PDB file: /home/ubuntu/rna-tools/rna_tools/tools/webserver-engine/media/jobs/50163f44/tmp/CPMA3_refx/CPMA3_refx.pdb ...Done. Performing minimization step: 901. Total energy = 11722.0129 kcal/mol (11714.3778 without restraints) Performing minimization step: 902. Total energy = 11714.8058 kcal/mol (11707.1726 without restraints) Performing minimization step: 903. Total energy = 11707.6089 kcal/mol (11699.9775 without restraints) Performing minimization step: 904. Total energy = 11700.4221 kcal/mol (11692.7927 without restraints) Performing minimization step: 905. Total energy = 11693.2462 kcal/mol (11685.6187 without restraints) Performing minimization step: 906. Total energy = 11686.0805 kcal/mol (11678.4549 without restraints) Performing minimization step: 907. Total energy = 11678.9248 kcal/mol (11671.3011 without restraints) Performing minimization step: 908. Total energy = 11671.7798 kcal/mol (11664.1580 without restraints) Performing minimization step: 909. Total energy = 11664.6452 kcal/mol (11657.0252 without restraints) Performing minimization step: 910. Total energy = 11657.5203 kcal/mol (11649.9023 without restraints) Performing minimization step: 911. Total energy = 11650.4057 kcal/mol (11642.7895 without restraints) Performing minimization step: 912. Total energy = 11643.3013 kcal/mol (11635.6871 without restraints) Performing minimization step: 913. Total energy = 11636.2069 kcal/mol (11628.5946 without restraints) Performing minimization step: 914. Total energy = 11629.1237 kcal/mol (11621.5132 without restraints) Performing minimization step: 915. Total energy = 11622.0497 kcal/mol (11614.4412 without restraints) Performing minimization step: 916. Total energy = 11614.9855 kcal/mol (11607.3788 without restraints) Performing minimization step: 917. Total energy = 11607.9318 kcal/mol (11600.3270 without restraints) Performing minimization step: 918. Total energy = 11600.8878 kcal/mol (11593.2849 without restraints) Performing minimization step: 919. Total energy = 11593.8533 kcal/mol (11586.2521 without restraints) Performing minimization step: 920. Total energy = 11586.8293 kcal/mol (11579.2299 without restraints) Performing minimization step: 921. Total energy = 11579.8156 kcal/mol (11572.2183 without restraints) Performing minimization step: 922. Total energy = 11572.8112 kcal/mol (11565.2157 without restraints) Performing minimization step: 923. Total energy = 11565.8169 kcal/mol (11558.2233 without restraints) Performing minimization step: 924. Total energy = 11558.8324 kcal/mol (11551.2407 without restraints) Performing minimization step: 925. Total energy = 11551.8575 kcal/mol (11544.2677 without restraints) Performing minimization step: 926. Total energy = 11544.8927 kcal/mol (11537.3047 without restraints) Performing minimization step: 927. Total energy = 11537.9376 kcal/mol (11530.3514 without restraints) Performing minimization step: 928. Total energy = 11530.9918 kcal/mol (11523.4075 without restraints) Performing minimization step: 929. Total energy = 11524.0558 kcal/mol (11516.4733 without restraints) Performing minimization step: 930. Total energy = 11517.1294 kcal/mol (11509.5488 without restraints) Performing minimization step: 931. Total energy = 11510.2131 kcal/mol (11502.6343 without restraints) Performing minimization step: 932. Total energy = 11503.3064 kcal/mol (11495.7295 without restraints) Performing minimization step: 933. Total energy = 11496.4099 kcal/mol (11488.8349 without restraints) Performing minimization step: 934. Total energy = 11489.5225 kcal/mol (11481.9493 without restraints) Performing minimization step: 935. Total energy = 11482.6447 kcal/mol (11475.0734 without restraints) Performing minimization step: 936. Total energy = 11475.7765 kcal/mol (11468.2070 without restraints) Performing minimization step: 937. Total energy = 11468.9175 kcal/mol (11461.3498 without restraints) Performing minimization step: 938. Total energy = 11462.0680 kcal/mol (11454.5023 without restraints) Performing minimization step: 939. Total energy = 11455.2282 kcal/mol (11447.6642 without restraints) Performing minimization step: 940. Total energy = 11448.3976 kcal/mol (11440.8355 without restraints) Performing minimization step: 941. Total energy = 11441.5767 kcal/mol (11434.0164 without restraints) Performing minimization step: 942. Total energy = 11434.7650 kcal/mol (11427.2065 without restraints) Performing minimization step: 943. Total energy = 11427.9624 kcal/mol (11420.4057 without restraints) Performing minimization step: 944. Total energy = 11421.1694 kcal/mol (11413.6145 without restraints) Performing minimization step: 945. Total energy = 11414.3857 kcal/mol (11406.8327 without restraints) Performing minimization step: 946. Total energy = 11407.6115 kcal/mol (11400.0603 without restraints) Performing minimization step: 947. Total energy = 11400.8464 kcal/mol (11393.2970 without restraints) Performing minimization step: 948. Total energy = 11394.0906 kcal/mol (11386.5430 without restraints) Performing minimization step: 949. Total energy = 11387.3435 kcal/mol (11379.7978 without restraints) Performing minimization step: 950. Total energy = 11380.6058 kcal/mol (11373.0619 without restraints) Performing minimization step: 951. Total energy = 11373.8784 kcal/mol (11366.3364 without restraints) Performing minimization step: 952. Total energy = 11367.1592 kcal/mol (11359.6189 without restraints) Performing minimization step: 953. Total energy = 11360.4493 kcal/mol (11352.9108 without restraints) Performing minimization step: 954. Total energy = 11353.7484 kcal/mol (11346.2118 without restraints) Performing minimization step: 955. Total energy = 11347.0565 kcal/mol (11339.5216 without restraints) Performing minimization step: 956. Total energy = 11340.3737 kcal/mol (11332.8407 without restraints) Performing minimization step: 957. Total energy = 11333.6997 kcal/mol (11326.1685 without restraints) Performing minimization step: 958. Total energy = 11327.0350 kcal/mol (11319.5056 without restraints) Performing minimization step: 959. Total energy = 11320.3790 kcal/mol (11312.8512 without restraints) Performing minimization step: 960. Total energy = 11313.7321 kcal/mol (11306.2063 without restraints) Performing minimization step: 961. Total energy = 11307.0943 kcal/mol (11299.5703 without restraints) Performing minimization step: 962. Total energy = 11300.4655 kcal/mol (11292.9433 without restraints) Performing minimization step: 963. Total energy = 11293.8454 kcal/mol (11286.3249 without restraints) Performing minimization step: 964. Total energy = 11287.2339 kcal/mol (11279.7153 without restraints) Performing minimization step: 965. Total energy = 11280.6318 kcal/mol (11273.1150 without restraints) Performing minimization step: 966. Total energy = 11274.0385 kcal/mol (11266.5235 without restraints) Performing minimization step: 967. Total energy = 11267.4540 kcal/mol (11259.9407 without restraints) Performing minimization step: 968. Total energy = 11260.8783 kcal/mol (11253.3668 without restraints) Performing minimization step: 969. Total energy = 11254.3113 kcal/mol (11246.8017 without restraints) Performing minimization step: 970. Total energy = 11247.7532 kcal/mol (11240.2453 without restraints) Performing minimization step: 971. Total energy = 11241.2042 kcal/mol (11233.6981 without restraints) Performing minimization step: 972. Total energy = 11234.6634 kcal/mol (11227.1591 without restraints) Performing minimization step: 973. Total energy = 11228.1313 kcal/mol (11220.6288 without restraints) Performing minimization step: 974. Total energy = 11221.6079 kcal/mol (11214.1074 without restraints) Performing minimization step: 975. Total energy = 11215.0936 kcal/mol (11207.5947 without restraints) Performing minimization step: 976. Total energy = 11208.5874 kcal/mol (11201.0902 without restraints) Performing minimization step: 977. Total energy = 11202.0900 kcal/mol (11194.5946 without restraints) Performing minimization step: 978. Total energy = 11195.6011 kcal/mol (11188.1075 without restraints) Performing minimization step: 979. Total energy = 11189.1208 kcal/mol (11181.6290 without restraints) Performing minimization step: 980. Total energy = 11182.6495 kcal/mol (11175.1594 without restraints) Performing minimization step: 981. Total energy = 11176.1861 kcal/mol (11168.6977 without restraints) Performing minimization step: 982. Total energy = 11169.7310 kcal/mol (11162.2442 without restraints) Performing minimization step: 983. Total energy = 11163.2845 kcal/mol (11155.7998 without restraints) Performing minimization step: 984. Total energy = 11156.8468 kcal/mol (11149.3638 without restraints) Performing minimization step: 985. Total energy = 11150.4178 kcal/mol (11142.9366 without restraints) Performing minimization step: 986. Total energy = 11143.9970 kcal/mol (11136.5175 without restraints) Performing minimization step: 987. Total energy = 11137.5846 kcal/mol (11130.1068 without restraints) Performing minimization step: 988. Total energy = 11131.1805 kcal/mol (11123.7045 without restraints) Performing minimization step: 989. Total energy = 11124.7853 kcal/mol (11117.3111 without restraints) Performing minimization step: 990. Total energy = 11118.3980 kcal/mol (11110.9256 without restraints) Performing minimization step: 991. Total energy = 11112.0190 kcal/mol (11104.5484 without restraints) Performing minimization step: 992. Total energy = 11105.6481 kcal/mol (11098.1793 without restraints) Performing minimization step: 993. Total energy = 11099.2853 kcal/mol (11091.8182 without restraints) Performing minimization step: 994. Total energy = 11092.9313 kcal/mol (11085.4659 without restraints) Performing minimization step: 995. Total energy = 11086.5855 kcal/mol (11079.1219 without restraints) Performing minimization step: 996. Total energy = 11080.2478 kcal/mol (11072.7859 without restraints) Performing minimization step: 997. Total energy = 11073.9183 kcal/mol (11066.4581 without restraints) Performing minimization step: 998. Total energy = 11067.5972 kcal/mol (11060.1388 without restraints) Performing minimization step: 999. Total energy = 11061.2842 kcal/mol (11053.8276 without restraints) Performing minimization step: 1000. Total energy = 11054.9795 kcal/mol (11047.5247 without restraints) Writing PDB file: /home/ubuntu/rna-tools/rna_tools/tools/webserver-engine/media/jobs/50163f44/tmp/CPMA3_refx/CPMA3_refx.pdb ...Done. Performing minimization step: 1001. Total energy = 11048.6830 kcal/mol (11041.2300 without restraints) Performing minimization step: 1002. Total energy = 11042.3944 kcal/mol (11034.9430 without restraints) Performing minimization step: 1003. Total energy = 11036.1142 kcal/mol (11028.6646 without restraints) Performing minimization step: 1004. Total energy = 11029.8419 kcal/mol (11022.3940 without restraints) Performing minimization step: 1005. Total energy = 11023.5776 kcal/mol (11016.1314 without restraints) Performing minimization step: 1006. Total energy = 11017.3217 kcal/mol (11009.8773 without restraints) Performing minimization step: 1007. Total energy = 11011.0733 kcal/mol (11003.6306 without restraints) Performing minimization step: 1008. Total energy = 11004.8334 kcal/mol (10997.3926 without restraints) Performing minimization step: 1009. Total energy = 10998.6014 kcal/mol (10991.1622 without restraints) Performing minimization step: 1010. Total energy = 10992.3775 kcal/mol (10984.9400 without restraints) Performing minimization step: 1011. Total energy = 10986.1618 kcal/mol (10978.7261 without restraints) Performing minimization step: 1012. Total energy = 10979.9536 kcal/mol (10972.5196 without restraints) Performing minimization step: 1013. Total energy = 10973.7534 kcal/mol (10966.3212 without restraints) Performing minimization step: 1014. Total energy = 10967.5611 kcal/mol (10960.1306 without restraints) Performing minimization step: 1015. Total energy = 10961.3766 kcal/mol (10953.9478 without restraints) Performing minimization step: 1016. Total energy = 10955.2003 kcal/mol (10947.7732 without restraints) Performing minimization step: 1017. Total energy = 10949.0318 kcal/mol (10941.6064 without restraints) Performing minimization step: 1018. Total energy = 10942.8708 kcal/mol (10935.4474 without restraints) Performing minimization step: 1019. Total energy = 10936.7180 kcal/mol (10929.2962 without restraints) Performing minimization step: 1020. Total energy = 10930.5727 kcal/mol (10923.1525 without restraints) Performing minimization step: 1021. Total energy = 10924.4353 kcal/mol (10917.0169 without restraints) Performing minimization step: 1022. Total energy = 10918.3060 kcal/mol (10910.8893 without restraints) Performing minimization step: 1023. Total energy = 10912.1841 kcal/mol (10904.7692 without restraints) Performing minimization step: 1024. Total energy = 10906.0702 kcal/mol (10898.6569 without restraints) Performing minimization step: 1025. Total energy = 10899.9638 kcal/mol (10892.5523 without restraints) Performing minimization step: 1026. Total energy = 10893.8652 kcal/mol (10886.4554 without restraints) Performing minimization step: 1027. Total energy = 10887.7743 kcal/mol (10880.3663 without restraints) Performing minimization step: 1028. Total energy = 10881.6912 kcal/mol (10874.2848 without restraints) Performing minimization step: 1029. Total energy = 10875.6155 kcal/mol (10868.2110 without restraints) Performing minimization step: 1030. Total energy = 10869.5476 kcal/mol (10862.1446 without restraints) Performing minimization step: 1031. Total energy = 10863.4872 kcal/mol (10856.0859 without restraints) Performing minimization step: 1032. Total energy = 10857.4344 kcal/mol (10850.0350 without restraints) Performing minimization step: 1033. Total energy = 10851.3891 kcal/mol (10843.9912 without restraints) Performing minimization step: 1034. Total energy = 10845.3513 kcal/mol (10837.9552 without restraints) Performing minimization step: 1035. Total energy = 10839.3221 kcal/mol (10831.9277 without restraints) Performing minimization step: 1036. Total energy = 10833.2998 kcal/mol (10825.9071 without restraints) Performing minimization step: 1037. Total energy = 10827.2852 kcal/mol (10819.8943 without restraints) Performing minimization step: 1038. Total energy = 10821.2781 kcal/mol (10813.8890 without restraints) Performing minimization step: 1039. Total energy = 10815.2784 kcal/mol (10807.8909 without restraints) Performing minimization step: 1040. Total energy = 10809.2861 kcal/mol (10801.9002 without restraints) Performing minimization step: 1041. Total energy = 10803.3013 kcal/mol (10795.9172 without restraints) Performing minimization step: 1042. Total energy = 10797.3239 kcal/mol (10789.9415 without restraints) Performing minimization step: 1043. Total energy = 10791.3541 kcal/mol (10783.9734 without restraints) Performing minimization step: 1044. Total energy = 10785.3921 kcal/mol (10778.0131 without restraints) Performing minimization step: 1045. Total energy = 10779.4374 kcal/mol (10772.0601 without restraints) Performing minimization step: 1046. Total energy = 10773.4898 kcal/mol (10766.1142 without restraints) Performing minimization step: 1047. Total energy = 10767.5496 kcal/mol (10760.1759 without restraints) Performing minimization step: 1048. Total energy = 10761.6169 kcal/mol (10754.2448 without restraints) Performing minimization step: 1049. Total energy = 10755.6914 kcal/mol (10748.3210 without restraints) Performing minimization step: 1050. Total energy = 10749.7733 kcal/mol (10742.4046 without restraints) Performing minimization step: 1051. Total energy = 10743.8627 kcal/mol (10736.4957 without restraints) Performing minimization step: 1052. Total energy = 10737.9593 kcal/mol (10730.5940 without restraints) Performing minimization step: 1053. Total energy = 10732.0636 kcal/mol (10724.7000 without restraints) Performing minimization step: 1054. Total energy = 10726.1748 kcal/mol (10718.8128 without restraints) Performing minimization step: 1055. Total energy = 10720.2934 kcal/mol (10712.9332 without restraints) Performing minimization step: 1056. Total energy = 10714.4191 kcal/mol (10707.0605 without restraints) Performing minimization step: 1057. Total energy = 10708.5520 kcal/mol (10701.1951 without restraints) Performing minimization step: 1058. Total energy = 10702.6920 kcal/mol (10695.3368 without restraints) Performing minimization step: 1059. Total energy = 10696.8392 kcal/mol (10689.4856 without restraints) Performing minimization step: 1060. Total energy = 10690.9935 kcal/mol (10683.6417 without restraints) Performing minimization step: 1061. Total energy = 10685.1550 kcal/mol (10677.8049 without restraints) Performing minimization step: 1062. Total energy = 10679.3237 kcal/mol (10671.9753 without restraints) Performing minimization step: 1063. Total energy = 10673.4999 kcal/mol (10666.1532 without restraints) Performing minimization step: 1064. Total energy = 10667.6831 kcal/mol (10660.3381 without restraints) Performing minimization step: 1065. Total energy = 10661.8734 kcal/mol (10654.5300 without restraints) Performing minimization step: 1066. Total energy = 10656.0711 kcal/mol (10648.7295 without restraints) Performing minimization step: 1067. Total energy = 10650.2757 kcal/mol (10642.9358 without restraints) Performing minimization step: 1068. Total energy = 10644.4873 kcal/mol (10637.1491 without restraints) Performing minimization step: 1069. Total energy = 10638.7062 kcal/mol (10631.3696 without restraints) Performing minimization step: 1070. Total energy = 10632.9320 kcal/mol (10625.5973 without restraints) Performing minimization step: 1071. Total energy = 10627.1653 kcal/mol (10619.8321 without restraints) Performing minimization step: 1072. Total energy = 10621.4054 kcal/mol (10614.0739 without restraints) Performing minimization step: 1073. Total energy = 10615.6525 kcal/mol (10608.3227 without restraints) Performing minimization step: 1074. Total energy = 10609.9057 kcal/mol (10602.5776 without restraints) Performing minimization step: 1075. Total energy = 10604.1669 kcal/mol (10596.8405 without restraints) Performing minimization step: 1076. Total energy = 10598.4351 kcal/mol (10591.1101 without restraints) Performing minimization step: 1077. Total energy = 10592.7106 kcal/mol (10585.3877 without restraints) Performing minimization step: 1078. Total energy = 10586.9928 kcal/mol (10579.6714 without restraints) Performing minimization step: 1079. Total energy = 10581.2820 kcal/mol (10573.9623 without restraints) Performing minimization step: 1080. Total energy = 10575.5779 kcal/mol (10568.2599 without restraints) Performing minimization step: 1081. Total energy = 10569.8805 kcal/mol (10562.5642 without restraints) Performing minimization step: 1082. Total energy = 10564.1905 kcal/mol (10556.8758 without restraints) Performing minimization step: 1083. Total energy = 10558.5071 kcal/mol (10551.1942 without restraints) Performing minimization step: 1084. Total energy = 10552.8307 kcal/mol (10545.5194 without restraints) Performing minimization step: 1085. Total energy = 10547.1613 kcal/mol (10539.8517 without restraints) Performing minimization step: 1086. Total energy = 10541.4986 kcal/mol (10534.1907 without restraints) Performing minimization step: 1087. Total energy = 10535.8423 kcal/mol (10528.5361 without restraints) Performing minimization step: 1088. Total energy = 10530.1935 kcal/mol (10522.8890 without restraints) Performing minimization step: 1089. Total energy = 10524.5514 kcal/mol (10517.2484 without restraints) Performing minimization step: 1090. Total energy = 10518.9161 kcal/mol (10511.6150 without restraints) Performing minimization step: 1091. Total energy = 10513.2877 kcal/mol (10505.9881 without restraints) Performing minimization step: 1092. Total energy = 10507.6659 kcal/mol (10500.3681 without restraints) Performing minimization step: 1093. Total energy = 10502.0510 kcal/mol (10494.7548 without restraints) Performing minimization step: 1094. Total energy = 10496.4432 kcal/mol (10489.1487 without restraints) Performing minimization step: 1095. Total energy = 10490.8418 kcal/mol (10483.5489 without restraints) Performing minimization step: 1096. Total energy = 10485.2473 kcal/mol (10477.9561 without restraints) Performing minimization step: 1097. Total energy = 10479.6594 kcal/mol (10472.3700 without restraints) Performing minimization step: 1098. Total energy = 10474.0783 kcal/mol (10466.7905 without restraints) Performing minimization step: 1099. Total energy = 10468.5038 kcal/mol (10461.2176 without restraints) Performing minimization step: 1100. Total energy = 10462.9361 kcal/mol (10455.6516 without restraints) Writing PDB file: /home/ubuntu/rna-tools/rna_tools/tools/webserver-engine/media/jobs/50163f44/tmp/CPMA3_refx/CPMA3_refx.pdb ...Done. Performing minimization step: 1101. Total energy = 10457.3750 kcal/mol (10450.0921 without restraints) Performing minimization step: 1102. Total energy = 10451.8205 kcal/mol (10444.5393 without restraints) Performing minimization step: 1103. Total energy = 10446.2729 kcal/mol (10438.9935 without restraints) Performing minimization step: 1104. Total energy = 10440.7318 kcal/mol (10433.4540 without restraints) Performing minimization step: 1105. Total energy = 10435.1974 kcal/mol (10427.9213 without restraints) Performing minimization step: 1106. Total energy = 10429.6696 kcal/mol (10422.3951 without restraints) Performing minimization step: 1107. Total energy = 10424.1484 kcal/mol (10416.8757 without restraints) Performing minimization step: 1108. Total energy = 10418.6339 kcal/mol (10411.3627 without restraints) Performing minimization step: 1109. Total energy = 10413.1259 kcal/mol (10405.8564 without restraints) Performing minimization step: 1110. Total energy = 10407.6245 kcal/mol (10400.3567 without restraints) Performing minimization step: 1111. Total energy = 10402.1296 kcal/mol (10394.8635 without restraints) Performing minimization step: 1112. Total energy = 10396.6414 kcal/mol (10389.3769 without restraints) Performing minimization step: 1113. Total energy = 10391.1599 kcal/mol (10383.8971 without restraints) Performing minimization step: 1114. Total energy = 10385.6850 kcal/mol (10378.4239 without restraints) Performing minimization step: 1115. Total energy = 10380.2160 kcal/mol (10372.9565 without restraints) Performing minimization step: 1116. Total energy = 10374.7540 kcal/mol (10367.4961 without restraints) Performing minimization step: 1117. Total energy = 10369.2983 kcal/mol (10362.0422 without restraints) Performing minimization step: 1118. Total energy = 10363.8490 kcal/mol (10356.5946 without restraints) Performing minimization step: 1119. Total energy = 10358.4062 kcal/mol (10351.1534 without restraints) Performing minimization step: 1120. Total energy = 10352.9699 kcal/mol (10345.7188 without restraints) Performing minimization step: 1121. Total energy = 10347.5403 kcal/mol (10340.2908 without restraints) Performing minimization step: 1122. Total energy = 10342.1172 kcal/mol (10334.8694 without restraints) Performing minimization step: 1123. Total energy = 10336.7004 kcal/mol (10329.4543 without restraints) Performing minimization step: 1124. Total energy = 10331.2899 kcal/mol (10324.0454 without restraints) Performing minimization step: 1125. Total energy = 10325.8857 kcal/mol (10318.6430 without restraints) Performing minimization step: 1126. Total energy = 10320.4885 kcal/mol (10313.2473 without restraints) Performing minimization step: 1127. Total energy = 10315.0977 kcal/mol (10307.8582 without restraints) Performing minimization step: 1128. Total energy = 10309.7127 kcal/mol (10302.4749 without restraints) Performing minimization step: 1129. Total energy = 10304.3344 kcal/mol (10297.0982 without restraints) Performing minimization step: 1130. Total energy = 10298.9627 kcal/mol (10291.7283 without restraints) Performing minimization step: 1131. Total energy = 10293.5974 kcal/mol (10286.3645 without restraints) Performing minimization step: 1132. Total energy = 10288.2385 kcal/mol (10281.0073 without restraints) Performing minimization step: 1133. Total energy = 10282.8862 kcal/mol (10275.6566 without restraints) Performing minimization step: 1134. Total energy = 10277.5400 kcal/mol (10270.3121 without restraints) Performing minimization step: 1135. Total energy = 10272.2000 kcal/mol (10264.9738 without restraints) Performing minimization step: 1136. Total energy = 10266.8663 kcal/mol (10259.6418 without restraints) Performing minimization step: 1137. Total energy = 10261.5389 kcal/mol (10254.3160 without restraints) Performing minimization step: 1138. Total energy = 10256.2178 kcal/mol (10248.9966 without restraints) Performing minimization step: 1139. Total energy = 10250.9031 kcal/mol (10243.6834 without restraints) Performing minimization step: 1140. Total energy = 10245.5945 kcal/mol (10238.3765 without restraints) Performing minimization step: 1141. Total energy = 10240.2922 kcal/mol (10233.0760 without restraints) Performing minimization step: 1142. Total energy = 10234.9963 kcal/mol (10227.7817 without restraints) Performing minimization step: 1143. Total energy = 10229.7068 kcal/mol (10222.4939 without restraints) Performing minimization step: 1144. Total energy = 10224.4233 kcal/mol (10217.2121 without restraints) Performing minimization step: 1145. Total energy = 10219.1462 kcal/mol (10211.9365 without restraints) Performing minimization step: 1146. Total energy = 10213.8752 kcal/mol (10206.6671 without restraints) Performing minimization step: 1147. Total energy = 10208.6104 kcal/mol (10201.4040 without restraints) Performing minimization step: 1148. Total energy = 10203.3518 kcal/mol (10196.1472 without restraints) Performing minimization step: 1149. Total energy = 10198.0994 kcal/mol (10190.8965 without restraints) Performing minimization step: 1150. Total energy = 10192.8533 kcal/mol (10185.6520 without restraints) Performing minimization step: 1151. Total energy = 10187.6134 kcal/mol (10180.4137 without restraints) Performing minimization step: 1152. Total energy = 10182.3798 kcal/mol (10175.1819 without restraints) Performing minimization step: 1153. Total energy = 10177.1523 kcal/mol (10169.9559 without restraints) Performing minimization step: 1154. Total energy = 10171.9304 kcal/mol (10164.7357 without restraints) Performing minimization step: 1155. Total energy = 10166.7151 kcal/mol (10159.5222 without restraints) Performing minimization step: 1156. Total energy = 10161.5059 kcal/mol (10154.3145 without restraints) Performing minimization step: 1157. Total energy = 10156.3022 kcal/mol (10149.1124 without restraints) Performing minimization step: 1158. Total energy = 10151.1053 kcal/mol (10143.9172 without restraints) Performing minimization step: 1159. Total energy = 10145.9143 kcal/mol (10138.7278 without restraints) Performing minimization step: 1160. Total energy = 10140.7295 kcal/mol (10133.5447 without restraints) Performing minimization step: 1161. Total energy = 10135.5509 kcal/mol (10128.3678 without restraints) Performing minimization step: 1162. Total energy = 10130.3781 kcal/mol (10123.1966 without restraints) Performing minimization step: 1163. Total energy = 10125.2119 kcal/mol (10118.0320 without restraints) Performing minimization step: 1164. Total energy = 10120.0516 kcal/mol (10112.8734 without restraints) Performing minimization step: 1165. Total energy = 10114.8971 kcal/mol (10107.7204 without restraints) Performing minimization step: 1166. Total energy = 10109.7487 kcal/mol (10102.5739 without restraints) Performing minimization step: 1167. Total energy = 10104.6065 kcal/mol (10097.4333 without restraints) Performing minimization step: 1168. Total energy = 10099.4700 kcal/mol (10092.2984 without restraints) Performing minimization step: 1169. Total energy = 10094.3400 kcal/mol (10087.1701 without restraints) Performing minimization step: 1170. Total energy = 10089.2163 kcal/mol (10082.0481 without restraints) Performing minimization step: 1171. Total energy = 10084.0982 kcal/mol (10076.9316 without restraints) Performing minimization step: 1172. Total energy = 10078.9857 kcal/mol (10071.8207 without restraints) Performing minimization step: 1173. Total energy = 10073.8796 kcal/mol (10066.7164 without restraints) Performing minimization step: 1174. Total energy = 10068.7798 kcal/mol (10061.6182 without restraints) Performing minimization step: 1175. Total energy = 10063.6857 kcal/mol (10056.5257 without restraints) Performing minimization step: 1176. Total energy = 10058.5975 kcal/mol (10051.4391 without restraints) Performing minimization step: 1177. Total energy = 10053.5154 kcal/mol (10046.3587 without restraints) Performing minimization step: 1178. Total energy = 10048.4385 kcal/mol (10041.2835 without restraints) Performing minimization step: 1179. Total energy = 10043.3683 kcal/mol (10036.2149 without restraints) Performing minimization step: 1180. Total energy = 10038.3039 kcal/mol (10031.1521 without restraints) Performing minimization step: 1181. Total energy = 10033.2456 kcal/mol (10026.0955 without restraints) Performing minimization step: 1182. Total energy = 10028.1932 kcal/mol (10021.0448 without restraints) Performing minimization step: 1183. Total energy = 10023.1467 kcal/mol (10015.9999 without restraints) Performing minimization step: 1184. Total energy = 10018.1057 kcal/mol (10010.9605 without restraints) Performing minimization step: 1185. Total energy = 10013.0706 kcal/mol (10005.9270 without restraints) Performing minimization step: 1186. Total energy = 10008.0415 kcal/mol (10000.8996 without restraints) Performing minimization step: 1187. Total energy = 10003.0183 kcal/mol (9995.8781 without restraints) Performing minimization step: 1188. Total energy = 9998.0008 kcal/mol (9990.8622 without restraints) Performing minimization step: 1189. Total energy = 9992.9893 kcal/mol (9985.8524 without restraints) Performing minimization step: 1190. Total energy = 9987.9838 kcal/mol (9980.8486 without restraints) Performing minimization step: 1191. Total energy = 9982.9841 kcal/mol (9975.8505 without restraints) Performing minimization step: 1192. Total energy = 9977.9904 kcal/mol (9970.8585 without restraints) Performing minimization step: 1193. Total energy = 9973.0020 kcal/mol (9965.8716 without restraints) Performing minimization step: 1194. Total energy = 9968.0196 kcal/mol (9960.8909 without restraints) Performing minimization step: 1195. Total energy = 9963.0432 kcal/mol (9955.9161 without restraints) Performing minimization step: 1196. Total energy = 9958.0726 kcal/mol (9950.9472 without restraints) Performing minimization step: 1197. Total energy = 9953.1081 kcal/mol (9945.9844 without restraints) Performing minimization step: 1198. Total energy = 9948.1490 kcal/mol (9941.0270 without restraints) Performing minimization step: 1199. Total energy = 9943.1956 kcal/mol (9936.0752 without restraints) Performing minimization step: 1200. Total energy = 9938.2481 kcal/mol (9931.1293 without restraints) Writing PDB file: /home/ubuntu/rna-tools/rna_tools/tools/webserver-engine/media/jobs/50163f44/tmp/CPMA3_refx/CPMA3_refx.pdb ...Done. Performing minimization step: 1201. Total energy = 9933.3059 kcal/mol (9926.1888 without restraints) Performing minimization step: 1202. Total energy = 9928.3696 kcal/mol (9921.2540 without restraints) Performing minimization step: 1203. Total energy = 9923.4394 kcal/mol (9916.3256 without restraints) Performing minimization step: 1204. Total energy = 9918.5146 kcal/mol (9911.4024 without restraints) Performing minimization step: 1205. Total energy = 9913.5961 kcal/mol (9906.4856 without restraints) Performing minimization step: 1206. Total energy = 9908.6833 kcal/mol (9901.5744 without restraints) Performing minimization step: 1207. Total energy = 9903.7759 kcal/mol (9896.6686 without restraints) Performing minimization step: 1208. Total energy = 9898.8744 kcal/mol (9891.7688 without restraints) Performing minimization step: 1209. Total energy = 9893.9779 kcal/mol (9886.8740 without restraints) Performing minimization step: 1210. Total energy = 9889.0879 kcal/mol (9881.9859 without restraints) Performing minimization step: 1211. Total energy = 9884.2034 kcal/mol (9877.1027 without restraints) Performing minimization step: 1212. Total energy = 9879.3249 kcal/mol (9872.2259 without restraints) Performing minimization step: 1213. Total energy = 9874.4517 kcal/mol (9867.3544 without restraints) Performing minimization step: 1214. Total energy = 9869.5844 kcal/mol (9862.4888 without restraints) Performing minimization step: 1215. Total energy = 9864.7225 kcal/mol (9857.6285 without restraints) Performing minimization step: 1216. Total energy = 9859.8663 kcal/mol (9852.7740 without restraints) Performing minimization step: 1217. Total energy = 9855.0158 kcal/mol (9847.9251 without restraints) Performing minimization step: 1218. Total energy = 9850.1714 kcal/mol (9843.0823 without restraints) Performing minimization step: 1219. Total energy = 9845.3326 kcal/mol (9838.2451 without restraints) Performing minimization step: 1220. Total energy = 9840.4988 kcal/mol (9833.4130 without restraints) Performing minimization step: 1221. Total energy = 9835.6710 kcal/mol (9828.5869 without restraints) Performing minimization step: 1222. Total energy = 9830.8484 kcal/mol (9823.7659 without restraints) Performing minimization step: 1223. Total energy = 9826.0318 kcal/mol (9818.9509 without restraints) Performing minimization step: 1224. Total energy = 9821.2210 kcal/mol (9814.1418 without restraints) Performing minimization step: 1225. Total energy = 9816.4152 kcal/mol (9809.3376 without restraints) Performing minimization step: 1226. Total energy = 9811.6152 kcal/mol (9804.5395 without restraints) Performing minimization step: 1227. Total energy = 9806.8206 kcal/mol (9799.7462 without restraints) Performing minimization step: 1228. Total energy = 9802.0313 kcal/mol (9794.9587 without restraints) Performing minimization step: 1229. Total energy = 9797.2479 kcal/mol (9790.1769 without restraints) Performing minimization step: 1230. Total energy = 9792.4701 kcal/mol (9785.4008 without restraints) Performing minimization step: 1231. Total energy = 9787.6982 kcal/mol (9780.6305 without restraints) Performing minimization step: 1232. Total energy = 9782.9316 kcal/mol (9775.8657 without restraints) Performing minimization step: 1233. Total energy = 9778.1704 kcal/mol (9771.1061 without restraints) Performing minimization step: 1234. Total energy = 9773.4145 kcal/mol (9766.3518 without restraints) Performing minimization step: 1235. Total energy = 9768.6642 kcal/mol (9761.6032 without restraints) Performing minimization step: 1236. Total energy = 9763.9192 kcal/mol (9756.8598 without restraints) Performing minimization step: 1237. Total energy = 9759.1802 kcal/mol (9752.1225 without restraints) Performing minimization step: 1238. Total energy = 9754.4465 kcal/mol (9747.3904 without restraints) Performing minimization step: 1239. Total energy = 9749.7185 kcal/mol (9742.6642 without restraints) Performing minimization step: 1240. Total energy = 9744.9961 kcal/mol (9737.9433 without restraints) Performing minimization step: 1241. Total energy = 9740.2791 kcal/mol (9733.2277 without restraints) Performing minimization step: 1242. Total energy = 9735.5671 kcal/mol (9728.5176 without restraints) Performing minimization step: 1243. Total energy = 9730.8608 kcal/mol (9723.8129 without restraints) Performing minimization step: 1244. Total energy = 9726.1597 kcal/mol (9719.1135 without restraints) Performing minimization step: 1245. Total energy = 9721.4642 kcal/mol (9714.4197 without restraints) Performing minimization step: 1246. Total energy = 9716.7738 kcal/mol (9709.7309 without restraints) Performing minimization step: 1247. Total energy = 9712.0892 kcal/mol (9705.0479 without restraints) Performing minimization step: 1248. Total energy = 9707.4100 kcal/mol (9700.3704 without restraints) Performing minimization step: 1249. Total energy = 9702.7361 kcal/mol (9695.6982 without restraints) Performing minimization step: 1250. Total energy = 9698.0677 kcal/mol (9691.0313 without restraints) Performing minimization step: 1251. Total energy = 9693.4046 kcal/mol (9686.3699 without restraints) Performing minimization step: 1252. Total energy = 9688.7470 kcal/mol (9681.7139 without restraints) Performing minimization step: 1253. Total energy = 9684.0945 kcal/mol (9677.0631 without restraints) Performing minimization step: 1254. Total energy = 9679.4479 kcal/mol (9672.4181 without restraints) Performing minimization step: 1255. Total energy = 9674.8063 kcal/mol (9667.7781 without restraints) Performing minimization step: 1256. Total energy = 9670.1702 kcal/mol (9663.1437 without restraints) Performing minimization step: 1257. Total energy = 9665.5396 kcal/mol (9658.5146 without restraints) Performing minimization step: 1258. Total energy = 9660.9142 kcal/mol (9653.8911 without restraints) Performing minimization step: 1259. Total energy = 9656.2942 kcal/mol (9649.2727 without restraints) Performing minimization step: 1260. Total energy = 9651.6795 kcal/mol (9644.6596 without restraints) Performing minimization step: 1261. Total energy = 9647.0698 kcal/mol (9640.0516 without restraints) Performing minimization step: 1262. Total energy = 9642.4658 kcal/mol (9635.4492 without restraints) Performing minimization step: 1263. Total energy = 9637.8670 kcal/mol (9630.8521 without restraints) Performing minimization step: 1264. Total energy = 9633.2734 kcal/mol (9626.2600 without restraints) Performing minimization step: 1265. Total energy = 9628.6850 kcal/mol (9621.6734 without restraints) Performing minimization step: 1266. Total energy = 9624.1024 kcal/mol (9617.0924 without restraints) Performing minimization step: 1267. Total energy = 9619.5248 kcal/mol (9612.5164 without restraints) Performing minimization step: 1268. Total energy = 9614.9528 kcal/mol (9607.9460 without restraints) Performing minimization step: 1269. Total energy = 9610.3856 kcal/mol (9603.3805 without restraints) Performing minimization step: 1270. Total energy = 9605.8236 kcal/mol (9598.8202 without restraints) Performing minimization step: 1271. Total energy = 9601.2671 kcal/mol (9594.2654 without restraints) Performing minimization step: 1272. Total energy = 9596.7160 kcal/mol (9589.7158 without restraints) Performing minimization step: 1273. Total energy = 9592.1700 kcal/mol (9585.1715 without restraints) Performing minimization step: 1274. Total energy = 9587.6285 kcal/mol (9580.6317 without restraints) Performing minimization step: 1275. Total energy = 9583.0934 kcal/mol (9576.0983 without restraints) Performing minimization step: 1276. Total energy = 9578.5634 kcal/mol (9571.5698 without restraints) Performing minimization step: 1277. Total energy = 9574.0383 kcal/mol (9567.0464 without restraints) Performing minimization step: 1278. Total energy = 9569.5186 kcal/mol (9562.5284 without restraints) Performing minimization step: 1279. Total energy = 9565.0042 kcal/mol (9558.0158 without restraints) Performing minimization step: 1280. Total energy = 9560.4949 kcal/mol (9553.5079 without restraints) Performing minimization step: 1281. Total energy = 9555.9903 kcal/mol (9549.0049 without restraints) Performing minimization step: 1282. Total energy = 9551.4909 kcal/mol (9544.5071 without restraints) Performing minimization step: 1283. Total energy = 9546.9968 kcal/mol (9540.0148 without restraints) Performing minimization step: 1284. Total energy = 9542.5078 kcal/mol (9535.5274 without restraints) Performing minimization step: 1285. Total energy = 9538.0243 kcal/mol (9531.0457 without restraints) Performing minimization step: 1286. Total energy = 9533.5459 kcal/mol (9526.5688 without restraints) Performing minimization step: 1287. Total energy = 9529.0728 kcal/mol (9522.0976 without restraints) Performing minimization step: 1288. Total energy = 9524.6048 kcal/mol (9517.6309 without restraints) Performing minimization step: 1289. Total energy = 9520.1413 kcal/mol (9513.1692 without restraints) Performing minimization step: 1290. Total energy = 9515.6834 kcal/mol (9508.7129 without restraints) Performing minimization step: 1291. Total energy = 9511.2303 kcal/mol (9504.2614 without restraints) Performing minimization step: 1292. Total energy = 9506.7826 kcal/mol (9499.8154 without restraints) Performing minimization step: 1293. Total energy = 9502.3399 kcal/mol (9495.3743 without restraints) Performing minimization step: 1294. Total energy = 9497.9025 kcal/mol (9490.9386 without restraints) Performing minimization step: 1295. Total energy = 9493.4704 kcal/mol (9486.5081 without restraints) Performing minimization step: 1296. Total energy = 9489.0435 kcal/mol (9482.0829 without restraints) Performing minimization step: 1297. Total energy = 9484.6211 kcal/mol (9477.6620 without restraints) Performing minimization step: 1298. Total energy = 9480.2043 kcal/mol (9473.2468 without restraints) Performing minimization step: 1299. Total energy = 9475.7920 kcal/mol (9468.8363 without restraints) Performing minimization step: 1300. Total energy = 9471.3849 kcal/mol (9464.4308 without restraints) Writing PDB file: /home/ubuntu/rna-tools/rna_tools/tools/webserver-engine/media/jobs/50163f44/tmp/CPMA3_refx/CPMA3_refx.pdb ...Done. Performing minimization step: 1301. Total energy = 9466.9826 kcal/mol (9460.0302 without restraints) Performing minimization step: 1302. Total energy = 9462.5856 kcal/mol (9455.6348 without restraints) Performing minimization step: 1303. Total energy = 9458.1936 kcal/mol (9451.2445 without restraints) Performing minimization step: 1304. Total energy = 9453.8064 kcal/mol (9446.8590 without restraints) Performing minimization step: 1305. Total energy = 9449.4247 kcal/mol (9442.4789 without restraints) Performing minimization step: 1306. Total energy = 9445.0478 kcal/mol (9438.1036 without restraints) Performing minimization step: 1307. Total energy = 9440.6762 kcal/mol (9433.7339 without restraints) Performing minimization step: 1308. Total energy = 9436.3095 kcal/mol (9429.3686 without restraints) Performing minimization step: 1309. Total energy = 9431.9476 kcal/mol (9425.0084 without restraints) Performing minimization step: 1310. Total energy = 9427.5908 kcal/mol (9420.6531 without restraints) Performing minimization step: 1311. Total energy = 9423.2390 kcal/mol (9416.3031 without restraints) Performing minimization step: 1312. Total energy = 9418.8921 kcal/mol (9411.9578 without restraints) Performing minimization step: 1313. Total energy = 9414.5501 kcal/mol (9407.6174 without restraints) Performing minimization step: 1314. Total energy = 9410.2130 kcal/mol (9403.2819 without restraints) Performing minimization step: 1315. Total energy = 9405.8809 kcal/mol (9398.9515 without restraints) Performing minimization step: 1316. Total energy = 9401.5537 kcal/mol (9394.6260 without restraints) Performing minimization step: 1317. Total energy = 9397.2314 kcal/mol (9390.3053 without restraints) Performing minimization step: 1318. Total energy = 9392.9141 kcal/mol (9385.9896 without restraints) Performing minimization step: 1319. Total energy = 9388.6014 kcal/mol (9381.6785 without restraints) Performing minimization step: 1320. Total energy = 9384.2939 kcal/mol (9377.3727 without restraints) Performing minimization step: 1321. Total energy = 9379.9912 kcal/mol (9373.0716 without restraints) Performing minimization step: 1322. Total energy = 9375.6935 kcal/mol (9368.7756 without restraints) Performing minimization step: 1323. Total energy = 9371.4009 kcal/mol (9364.4847 without restraints) Performing minimization step: 1324. Total energy = 9367.1133 kcal/mol (9360.1987 without restraints) Performing minimization step: 1325. Total energy = 9362.8304 kcal/mol (9355.9175 without restraints) Performing minimization step: 1326. Total energy = 9358.5524 kcal/mol (9351.6412 without restraints) Performing minimization step: 1327. Total energy = 9354.2797 kcal/mol (9347.3701 without restraints) Performing minimization step: 1328. Total energy = 9350.0113 kcal/mol (9343.1033 without restraints) Performing minimization step: 1329. Total energy = 9345.7480 kcal/mol (9338.8416 without restraints) Performing minimization step: 1330. Total energy = 9341.4897 kcal/mol (9334.5850 without restraints) Performing minimization step: 1331. Total energy = 9337.2360 kcal/mol (9330.3330 without restraints) Performing minimization step: 1332. Total energy = 9332.9871 kcal/mol (9326.0856 without restraints) Performing minimization step: 1333. Total energy = 9328.7429 kcal/mol (9321.8431 without restraints) Performing minimization step: 1334. Total energy = 9324.5035 kcal/mol (9317.6054 without restraints) Performing minimization step: 1335. Total energy = 9320.2689 kcal/mol (9313.3722 without restraints) Performing minimization step: 1336. Total energy = 9316.0396 kcal/mol (9309.1448 without restraints) Performing minimization step: 1337. Total energy = 9311.8144 kcal/mol (9304.9212 without restraints) Performing minimization step: 1338. Total energy = 9307.5941 kcal/mol (9300.7025 without restraints) Performing minimization step: 1339. Total energy = 9303.3792 kcal/mol (9296.4894 without restraints) Performing minimization step: 1340. Total energy = 9299.1689 kcal/mol (9292.2806 without restraints) Performing minimization step: 1341. Total energy = 9294.9631 kcal/mol (9288.0765 without restraints) Performing minimization step: 1342. Total energy = 9290.7620 kcal/mol (9283.8770 without restraints) Performing minimization step: 1343. Total energy = 9286.5656 kcal/mol (9279.6821 without restraints) Performing minimization step: 1344. Total energy = 9282.3734 kcal/mol (9275.4917 without restraints) Performing minimization step: 1345. Total energy = 9278.1868 kcal/mol (9271.3068 without restraints) Performing minimization step: 1346. Total energy = 9274.0044 kcal/mol (9267.1260 without restraints) Performing minimization step: 1347. Total energy = 9269.8272 kcal/mol (9262.9506 without restraints) Performing minimization step: 1348. Total energy = 9265.6543 kcal/mol (9258.7791 without restraints) Performing minimization step: 1349. Total energy = 9261.4864 kcal/mol (9254.6129 without restraints) Performing minimization step: 1350. Total energy = 9257.3231 kcal/mol (9250.4511 without restraints) Performing minimization step: 1351. Total energy = 9253.1645 kcal/mol (9246.2942 without restraints) Performing minimization step: 1352. Total energy = 9249.0109 kcal/mol (9242.1423 without restraints) Performing minimization step: 1353. Total energy = 9244.8620 kcal/mol (9237.9952 without restraints) Performing minimization step: 1354. Total energy = 9240.7177 kcal/mol (9233.8524 without restraints) Performing minimization step: 1355. Total energy = 9236.5780 kcal/mol (9229.7144 without restraints) Performing minimization step: 1356. Total energy = 9232.4432 kcal/mol (9225.5812 without restraints) Performing minimization step: 1357. Total energy = 9228.3124 kcal/mol (9221.4520 without restraints) Performing minimization step: 1358. Total energy = 9224.1868 kcal/mol (9217.3281 without restraints) Performing minimization step: 1359. Total energy = 9220.0657 kcal/mol (9213.2086 without restraints) Performing minimization step: 1360. Total energy = 9215.9490 kcal/mol (9209.0935 without restraints) Performing minimization step: 1361. Total energy = 9211.8370 kcal/mol (9204.9833 without restraints) Performing minimization step: 1362. Total energy = 9207.7298 kcal/mol (9200.8777 without restraints) Performing minimization step: 1363. Total energy = 9203.6274 kcal/mol (9196.7769 without restraints) Performing minimization step: 1364. Total energy = 9199.5293 kcal/mol (9192.6804 without restraints) Performing minimization step: 1365. Total energy = 9195.4357 kcal/mol (9188.5885 without restraints) Performing minimization step: 1366. Total energy = 9191.3467 kcal/mol (9184.5011 without restraints) Performing minimization step: 1367. Total energy = 9187.2625 kcal/mol (9180.4186 without restraints) Performing minimization step: 1368. Total energy = 9183.1825 kcal/mol (9176.3402 without restraints) Performing minimization step: 1369. Total energy = 9179.1074 kcal/mol (9172.2667 without restraints) Performing minimization step: 1370. Total energy = 9175.0368 kcal/mol (9168.1978 without restraints) Performing minimization step: 1371. Total energy = 9170.9708 kcal/mol (9164.1334 without restraints) Performing minimization step: 1372. Total energy = 9166.9095 kcal/mol (9160.0738 without restraints) Performing minimization step: 1373. Total energy = 9162.8528 kcal/mol (9156.0187 without restraints) Performing minimization step: 1374. Total energy = 9158.8006 kcal/mol (9151.9682 without restraints) Performing minimization step: 1375. Total energy = 9154.7527 kcal/mol (9147.9218 without restraints) Performing minimization step: 1376. Total energy = 9150.7093 kcal/mol (9143.8802 without restraints) Performing minimization step: 1377. Total energy = 9146.6703 kcal/mol (9139.8426 without restraints) Performing minimization step: 1378. Total energy = 9142.6359 kcal/mol (9135.8098 without restraints) Performing minimization step: 1379. Total energy = 9138.6060 kcal/mol (9131.7818 without restraints) Performing minimization step: 1380. Total energy = 9134.5806 kcal/mol (9127.7580 without restraints) Performing minimization step: 1381. Total energy = 9130.5601 kcal/mol (9123.7391 without restraints) Performing minimization step: 1382. Total energy = 9126.5438 kcal/mol (9119.7245 without restraints) Performing minimization step: 1383. Total energy = 9122.5325 kcal/mol (9115.7147 without restraints) Performing minimization step: 1384. Total energy = 9118.5253 kcal/mol (9111.7094 without restraints) Performing minimization step: 1385. Total energy = 9114.5229 kcal/mol (9107.7084 without restraints) Performing minimization step: 1386. Total energy = 9110.5246 kcal/mol (9103.7119 without restraints) Performing minimization step: 1387. Total energy = 9106.5311 kcal/mol (9099.7199 without restraints) Performing minimization step: 1388. Total energy = 9102.5416 kcal/mol (9095.7321 without restraints) Performing minimization step: 1389. Total energy = 9098.5564 kcal/mol (9091.7486 without restraints) Performing minimization step: 1390. Total energy = 9094.5754 kcal/mol (9087.7692 without restraints) Performing minimization step: 1391. Total energy = 9090.5999 kcal/mol (9083.7953 without restraints) Performing minimization step: 1392. Total energy = 9086.6282 kcal/mol (9079.8253 without restraints) Performing minimization step: 1393. Total energy = 9082.6609 kcal/mol (9075.8595 without restraints) Performing minimization step: 1394. Total energy = 9078.6983 kcal/mol (9071.8986 without restraints) Performing minimization step: 1395. Total energy = 9074.7397 kcal/mol (9067.9417 without restraints) Performing minimization step: 1396. Total energy = 9070.7857 kcal/mol (9063.9893 without restraints) Performing minimization step: 1397. Total energy = 9066.8362 kcal/mol (9060.0414 without restraints) Performing minimization step: 1398. Total energy = 9062.8907 kcal/mol (9056.0976 without restraints) Performing minimization step: 1399. Total energy = 9058.9497 kcal/mol (9052.1582 without restraints) Performing minimization step: 1400. Total energy = 9055.0131 kcal/mol (9048.2232 without restraints) Writing PDB file: /home/ubuntu/rna-tools/rna_tools/tools/webserver-engine/media/jobs/50163f44/tmp/CPMA3_refx/CPMA3_refx.pdb ...Done. Performing minimization step: 1401. Total energy = 9051.0807 kcal/mol (9044.2925 without restraints) Performing minimization step: 1402. Total energy = 9047.1537 kcal/mol (9040.3671 without restraints) Performing minimization step: 1403. Total energy = 9043.2300 kcal/mol (9036.4450 without restraints) Performing minimization step: 1404. Total energy = 9039.3110 kcal/mol (9032.5278 without restraints) Performing minimization step: 1405. Total energy = 9035.3961 kcal/mol (9028.6145 without restraints) Performing minimization step: 1406. Total energy = 9031.4854 kcal/mol (9024.7054 without restraints) Performing minimization step: 1407. Total energy = 9027.5791 kcal/mol (9020.8007 without restraints) Performing minimization step: 1408. Total energy = 9023.6772 kcal/mol (9016.9005 without restraints) Performing minimization step: 1409. Total energy = 9019.7794 kcal/mol (9013.0044 without restraints) Performing minimization step: 1410. Total energy = 9015.8860 kcal/mol (9009.1126 without restraints) Performing minimization step: 1411. Total energy = 9011.9969 kcal/mol (9005.2250 without restraints) Performing minimization step: 1412. Total energy = 9008.1118 kcal/mol (9001.3416 without restraints) Performing minimization step: 1413. Total energy = 9004.2312 kcal/mol (8997.4626 without restraints) Performing minimization step: 1414. Total energy = 9000.3552 kcal/mol (8993.5883 without restraints) Performing minimization step: 1415. Total energy = 8996.4837 kcal/mol (8989.7185 without restraints) Performing minimization step: 1416. Total energy = 8992.6153 kcal/mol (8985.8517 without restraints) Performing minimization step: 1417. Total energy = 8988.7518 kcal/mol (8981.9899 without restraints) Performing minimization step: 1418. Total energy = 8984.8927 kcal/mol (8978.1323 without restraints) Performing minimization step: 1419. Total energy = 8981.0380 kcal/mol (8974.2793 without restraints) Performing minimization step: 1420. Total energy = 8977.1870 kcal/mol (8970.4298 without restraints) Performing minimization step: 1421. Total energy = 8973.3404 kcal/mol (8966.5850 without restraints) Performing minimization step: 1422. Total energy = 8969.4979 kcal/mol (8962.7441 without restraints) Performing minimization step: 1423. Total energy = 8965.6596 kcal/mol (8958.9074 without restraints) Performing minimization step: 1424. Total energy = 8961.8255 kcal/mol (8955.0749 without restraints) Performing minimization step: 1425. Total energy = 8957.9954 kcal/mol (8951.2464 without restraints) Performing minimization step: 1426. Total energy = 8954.1699 kcal/mol (8947.4226 without restraints) Performing minimization step: 1427. Total energy = 8950.3482 kcal/mol (8943.6025 without restraints) Performing minimization step: 1428. Total energy = 8946.5308 kcal/mol (8939.7869 without restraints) Performing minimization step: 1429. Total energy = 8942.7177 kcal/mol (8935.9753 without restraints) Performing minimization step: 1430. Total energy = 8938.9087 kcal/mol (8932.1679 without restraints) Performing minimization step: 1431. Total energy = 8935.1035 kcal/mol (8928.3644 without restraints) Performing minimization step: 1432. Total energy = 8931.3024 kcal/mol (8924.5649 without restraints) Performing minimization step: 1433. Total energy = 8927.5054 kcal/mol (8920.7695 without restraints) Performing minimization step: 1434. Total energy = 8923.7130 kcal/mol (8916.9789 without restraints) Performing minimization step: 1435. Total energy = 8919.9249 kcal/mol (8913.1923 without restraints) Performing minimization step: 1436. Total energy = 8916.1408 kcal/mol (8909.4098 without restraints) Performing minimization step: 1437. Total energy = 8912.3603 kcal/mol (8905.6310 without restraints) Performing minimization step: 1438. Total energy = 8908.5841 kcal/mol (8901.8565 without restraints) Performing minimization step: 1439. Total energy = 8904.8121 kcal/mol (8898.0858 without restraints) Performing minimization step: 1440. Total energy = 8901.0439 kcal/mol (8894.3194 without restraints) Performing minimization step: 1441. Total energy = 8897.2800 kcal/mol (8890.5573 without restraints) Performing minimization step: 1442. Total energy = 8893.5203 kcal/mol (8886.7991 without restraints) Performing minimization step: 1443. Total energy = 8889.7645 kcal/mol (8883.0450 without restraints) Performing minimization step: 1444. Total energy = 8886.0129 kcal/mol (8879.2950 without restraints) Performing minimization step: 1445. Total energy = 8882.2653 kcal/mol (8875.5490 without restraints) Performing minimization step: 1446. Total energy = 8878.5215 kcal/mol (8871.8069 without restraints) Performing minimization step: 1447. Total energy = 8874.7824 kcal/mol (8868.0695 without restraints) Performing minimization step: 1448. Total energy = 8871.0470 kcal/mol (8864.3356 without restraints) Performing minimization step: 1449. Total energy = 8867.3159 kcal/mol (8860.6062 without restraints) Performing minimization step: 1450. Total energy = 8863.5881 kcal/mol (8856.8801 without restraints) Performing minimization step: 1451. Total energy = 8859.8646 kcal/mol (8853.1581 without restraints) Performing minimization step: 1452. Total energy = 8856.1452 kcal/mol (8849.4403 without restraints) Performing minimization step: 1453. Total energy = 8852.4298 kcal/mol (8845.7266 without restraints) Performing minimization step: 1454. Total energy = 8848.7183 kcal/mol (8842.0168 without restraints) Performing minimization step: 1455. Total energy = 8845.0110 kcal/mol (8838.3111 without restraints) Performing minimization step: 1456. Total energy = 8841.3077 kcal/mol (8834.6094 without restraints) Performing minimization step: 1457. Total energy = 8837.6084 kcal/mol (8830.9117 without restraints) Performing minimization step: 1458. Total energy = 8833.9128 kcal/mol (8827.2177 without restraints) Performing minimization step: 1459. Total energy = 8830.2212 kcal/mol (8823.5278 without restraints) Performing minimization step: 1460. Total energy = 8826.5335 kcal/mol (8819.8418 without restraints) Performing minimization step: 1461. Total energy = 8822.8498 kcal/mol (8816.1597 without restraints) Performing minimization step: 1462. Total energy = 8819.1707 kcal/mol (8812.4822 without restraints) Performing minimization step: 1463. Total energy = 8815.4949 kcal/mol (8808.8080 without restraints) Performing minimization step: 1464. Total energy = 8811.8233 kcal/mol (8805.1381 without restraints) Performing minimization step: 1465. Total energy = 8808.1556 kcal/mol (8801.4720 without restraints) Performing minimization step: 1466. Total energy = 8804.4917 kcal/mol (8797.8097 without restraints) Performing minimization step: 1467. Killed /home/ubuntu/rna-tools//opt/qrnas/ Save to CPMA3_refx.pdb DONE!