============================================================================= Reading config file: /home/ubuntu/rna-tools/rna_tools/tools/webserver-engine/media/jobs/8ebe743d/tmp/temp_for_minimization_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/8ebe743d/tmp/temp_for_minimization_refx/temp_for_minimization.pdb ============================================================================= Atom's 1 O5' residue renamed to RA5 Atom's 2 C5' residue renamed to RA5 Atom's 3 C4' residue renamed to RA5 Atom's 4 O4' residue renamed to RA5 Atom's 5 C3' residue renamed to RA5 Atom's 6 O3' residue renamed to RA5 Atom's 7 C2' residue renamed to RA5 Atom's 8 O2' residue renamed to RA5 Atom's 9 C1' residue renamed to RA5 Atom's 10 N9 residue renamed to RA5 Atom's 11 C8 residue renamed to RA5 Atom's 12 N7 residue renamed to RA5 Atom's 13 C5 residue renamed to RA5 Atom's 14 C6 residue renamed to RA5 Atom's 15 N6 residue renamed to RA5 Atom's 16 N1 residue renamed to RA5 Atom's 17 C2 residue renamed to RA5 Atom's 18 N3 residue renamed to RA5 Atom's 19 C4 residue renamed to RA5 Atom's 1446 C4 residue renamed to RA3 Atom's 1445 N3 residue renamed to RA3 Atom's 1444 C2 residue renamed to RA3 Atom's 1443 N1 residue renamed to RA3 Atom's 1442 N6 residue renamed to RA3 Atom's 1441 C6 residue renamed to RA3 Atom's 1440 C5 residue renamed to RA3 Atom's 1439 N7 residue renamed to RA3 Atom's 1438 C8 residue renamed to RA3 Atom's 1437 N9 residue renamed to RA3 Atom's 1436 C1' residue renamed to RA3 Atom's 1435 O2' residue renamed to RA3 Atom's 1434 C2' residue renamed to RA3 Atom's 1433 O3' residue renamed to RA3 Atom's 1432 C3' residue renamed to RA3 Atom's 1431 O4' residue renamed to RA3 Atom's 1430 C4' residue renamed to RA3 Atom's 1429 C5' residue renamed to RA3 Atom's 1428 O5' residue renamed to RA3 Atom's 1427 OP2 residue renamed to RA3 Atom's 1426 OP1 residue renamed to RA3 Atom's 1425 P residue renamed to RA3 Missing atom added: ATOM 1 H5T RA5 S -20 -48.361 25.454 -44.957 1.00 0.00 H Missing atom added: ATOM 21 H5'1 RA5 S -20 -50.791 26.908 -45.059 1.00 0.00 H Missing atom added: ATOM 22 H5'2 RA5 S -20 -49.485 28.073 -45.668 1.00 0.00 H Missing atom added: ATOM 23 H4' RA5 S -20 -51.162 29.158 -44.536 1.00 0.00 H Missing atom added: ATOM 24 H3' RA5 S -20 -48.382 29.248 -43.602 1.00 0.00 H Missing atom added: ATOM 27 H1' RA5 S -20 -51.356 29.388 -41.031 1.00 0.00 H Missing atom added: ATOM 25 H2' RA5 S -20 -49.375 30.846 -41.911 1.00 0.00 H Missing atom added: ATOM 26 HO'2 RA5 S -20 -51.407 30.872 -43.671 1.00 0.00 H Missing atom added: ATOM 28 H8 RA5 S -20 -48.962 26.625 -42.038 1.00 0.00 H Missing atom added: ATOM 29 H61 RA5 S -20 -46.968 25.518 -37.674 1.00 0.00 H Missing atom added: ATOM 30 H62 RA5 S -20 -47.116 26.289 -36.157 1.00 0.00 H Missing atom added: ATOM 31 H2 RA5 S -20 -50.193 29.782 -36.231 1.00 0.00 H Missing atom added: ATOM 23 H5'1 A S -19 -49.758 32.314 -48.719 1.00 0.00 H Missing atom added: ATOM 24 H5'2 A S -19 -48.158 32.468 -47.795 1.00 0.00 H Missing atom added: ATOM 25 H4' A S -19 -48.270 34.412 -48.187 1.00 0.00 H Missing atom added: ATOM 26 H3' A S -19 -48.028 33.125 -45.441 1.00 0.00 H Missing atom added: ATOM 29 H1' A S -19 -49.552 36.527 -45.720 1.00 0.00 H Missing atom added: ATOM 27 H2' A S -19 -47.481 35.572 -44.816 1.00 0.00 H Missing atom added: ATOM 28 HO'2 A S -19 -47.327 35.824 -47.583 1.00 0.00 H Missing atom added: ATOM 30 H8 A S -19 -50.948 33.085 -45.168 1.00 0.00 H Missing atom added: ATOM 31 H61 A S -19 -52.255 33.273 -40.535 1.00 0.00 H Missing atom added: ATOM 32 H62 A S -19 -52.134 34.491 -39.344 1.00 0.00 H Missing atom added: ATOM 33 H2 A S -19 -49.858 38.276 -40.974 1.00 0.00 H Missing atom added: ATOM 23 H5'1 A S -18 -45.377 35.359 -44.605 1.00 0.00 H Missing atom added: ATOM 24 H5'2 A S -18 -43.920 34.534 -43.810 1.00 0.00 H Missing atom added: ATOM 25 H4' A S -18 -44.608 36.294 -42.560 1.00 0.00 H Missing atom added: ATOM 26 H3' A S -18 -44.527 33.612 -41.406 1.00 0.00 H Missing atom added: ATOM 29 H1' A S -18 -47.153 36.188 -40.249 1.00 0.00 H Missing atom added: ATOM 27 H2' A S -18 -45.168 35.021 -39.322 1.00 0.00 H Missing atom added: ATOM 28 HO'2 A S -18 -44.530 37.103 -41.019 1.00 0.00 H Missing atom added: ATOM 30 H8 A S -18 -47.235 33.100 -42.313 1.00 0.00 H Missing atom added: ATOM 31 H61 A S -18 -49.912 30.469 -39.629 1.00 0.00 H Missing atom added: ATOM 32 H62 A S -18 -50.588 30.573 -38.064 1.00 0.00 H Missing atom added: ATOM 33 H2 A S -18 -48.949 34.411 -35.837 1.00 0.00 H Missing atom added: ATOM 24 H5'1 G S -17 -43.354 36.996 -39.681 1.00 0.00 H Missing atom added: ATOM 25 H5'2 G S -17 -41.635 37.219 -39.028 1.00 0.00 H Missing atom added: ATOM 26 H4' G S -17 -43.635 38.355 -38.050 1.00 0.00 H Missing atom added: ATOM 27 H3' G S -17 -42.311 36.757 -36.249 1.00 0.00 H Missing atom added: ATOM 30 H1' G S -17 -46.204 36.844 -36.099 1.00 0.00 H Missing atom added: ATOM 28 H2' G S -17 -44.168 37.659 -34.716 1.00 0.00 H Missing atom added: ATOM 29 HO'2 G S -17 -44.644 39.306 -36.847 1.00 0.00 H Missing atom added: ATOM 31 H8 G S -17 -44.178 34.042 -37.355 1.00 0.00 H Missing atom added: ATOM 34 H1 G S -17 -46.339 32.842 -30.978 1.00 0.00 H Missing atom added: ATOM 32 H21 G S -17 -46.874 36.418 -31.572 1.00 0.00 H Missing atom added: ATOM 33 H22 G S -17 -46.569 35.192 -30.475 1.00 0.00 H Missing atom added: ATOM 21 H5'1 C S -16 -42.628 40.445 -35.220 1.00 0.00 H Missing atom added: ATOM 22 H5'2 C S -16 -41.094 40.699 -34.212 1.00 0.00 H Missing atom added: ATOM 23 H4' C S -16 -42.420 40.705 -32.625 1.00 0.00 H Missing atom added: ATOM 24 H3' C S -16 -40.067 38.866 -33.100 1.00 0.00 H Missing atom added: ATOM 27 H1' C S -16 -43.078 37.955 -30.772 1.00 0.00 H Missing atom added: ATOM 25 H2' C S -16 -40.599 38.447 -30.542 1.00 0.00 H Missing atom added: ATOM 26 HO'2 C S -16 -41.945 40.812 -31.063 1.00 0.00 H Missing atom added: ATOM 30 H6 C S -16 -41.784 36.883 -33.860 1.00 0.00 H Missing atom added: ATOM 28 H41 C S -16 -40.720 32.316 -33.314 1.00 0.00 H Missing atom added: ATOM 29 H42 C S -16 -40.895 32.121 -31.622 1.00 0.00 H Missing atom added: ATOM 31 H5 C S -16 -41.046 34.419 -34.805 1.00 0.00 H Missing atom added: ATOM 21 H5'1 C S -15 -40.693 42.273 -30.727 1.00 0.00 H Missing atom added: ATOM 22 H5'2 C S -15 -39.361 42.817 -29.559 1.00 0.00 H Missing atom added: ATOM 23 H4' C S -15 -41.165 42.940 -28.353 1.00 0.00 H Missing atom added: ATOM 24 H3' C S -15 -38.968 40.928 -27.631 1.00 0.00 H Missing atom added: ATOM 27 H1' C S -15 -42.536 40.404 -26.456 1.00 0.00 H Missing atom added: ATOM 25 H2' C S -15 -40.375 40.894 -25.411 1.00 0.00 H Missing atom added: ATOM 26 HO'2 C S -15 -41.288 43.225 -26.615 1.00 0.00 H Missing atom added: ATOM 30 H6 C S -15 -40.085 39.012 -28.709 1.00 0.00 H Missing atom added: ATOM 28 H41 C S -15 -39.445 34.548 -27.388 1.00 0.00 H Missing atom added: ATOM 29 H42 C S -15 -40.203 34.528 -25.852 1.00 0.00 H Missing atom added: ATOM 31 H5 C S -15 -39.199 36.462 -29.115 1.00 0.00 H Missing atom added: ATOM 21 H5'1 C S -14 -38.264 44.259 -27.885 1.00 0.00 H Missing atom added: ATOM 22 H5'2 C S -14 -38.108 45.729 -26.767 1.00 0.00 H Missing atom added: ATOM 23 H4' C S -14 -38.993 46.680 -28.369 1.00 0.00 H Missing atom added: ATOM 24 H3' C S -14 -39.634 46.653 -25.492 1.00 0.00 H Missing atom added: ATOM 27 H1' C S -14 -42.267 47.418 -28.262 1.00 0.00 H Missing atom added: ATOM 25 H2' C S -14 -41.036 48.725 -26.403 1.00 0.00 H Missing atom added: ATOM 26 HO'2 C S -14 -39.197 48.401 -28.369 1.00 0.00 H Missing atom added: ATOM 30 H6 C S -14 -41.594 44.874 -25.847 1.00 0.00 H Missing atom added: ATOM 28 H41 C S -14 -45.497 44.490 -23.243 1.00 0.00 H Missing atom added: ATOM 29 H42 C S -14 -46.437 45.794 -23.832 1.00 0.00 H Missing atom added: ATOM 31 H5 C S -14 -43.146 43.667 -23.931 1.00 0.00 H Missing atom added: ATOM 24 H5'1 G S -13 -39.088 51.173 -26.708 1.00 0.00 H Missing atom added: ATOM 25 H5'2 G S -13 -38.446 51.907 -25.133 1.00 0.00 H Missing atom added: ATOM 26 H4' G S -13 -40.348 52.953 -26.096 1.00 0.00 H Missing atom added: ATOM 27 H3' G S -13 -40.930 51.810 -23.500 1.00 0.00 H Missing atom added: ATOM 30 H1' G S -13 -43.583 51.680 -26.228 1.00 0.00 H Missing atom added: ATOM 28 H2' G S -13 -43.227 52.815 -24.013 1.00 0.00 H Missing atom added: ATOM 29 HO'2 G S -13 -41.801 54.127 -25.901 1.00 0.00 H Missing atom added: ATOM 31 H8 G S -13 -41.402 48.960 -24.801 1.00 0.00 H Missing atom added: ATOM 34 H1 G S -13 -47.663 48.648 -22.113 1.00 0.00 H Missing atom added: ATOM 32 H21 G S -13 -47.398 51.970 -23.572 1.00 0.00 H Missing atom added: ATOM 33 H22 G S -13 -48.009 50.991 -22.360 1.00 0.00 H Missing atom added: ATOM 24 H5'1 G S -12 -42.521 53.400 -22.375 1.00 0.00 H Missing atom added: ATOM 25 H5'2 G S -12 -42.443 55.236 -22.145 1.00 0.00 H Missing atom added: ATOM 26 H4' G S -12 -44.165 54.049 -21.031 1.00 0.00 H Missing atom added: ATOM 27 H3' G S -12 -42.280 55.245 -19.180 1.00 0.00 H Missing atom added: ATOM 30 H1' G S -12 -43.625 51.811 -18.369 1.00 0.00 H Missing atom added: ATOM 28 H2' G S -12 -43.794 54.205 -17.464 1.00 0.00 H Missing atom added: ATOM 29 HO'2 G S -12 -45.418 53.922 -19.625 1.00 0.00 H Missing atom added: ATOM 31 H8 G S -12 -40.245 52.476 -19.689 1.00 0.00 H Missing atom added: ATOM 34 H1 G S -12 -40.107 51.614 -12.906 1.00 0.00 H Missing atom added: ATOM 32 H21 G S -12 -43.621 52.163 -13.769 1.00 0.00 H Missing atom added: ATOM 33 H22 G S -12 -42.399 52.297 -12.635 1.00 0.00 H Missing atom added: ATOM 24 H5'1 G S -11 -44.360 57.014 -15.996 1.00 0.00 H Missing atom added: ATOM 25 H5'2 G S -11 -44.667 58.796 -16.395 1.00 0.00 H Missing atom added: ATOM 26 H4' G S -11 -43.184 58.191 -14.541 1.00 0.00 H Missing atom added: ATOM 27 H3' G S -11 -41.625 59.344 -16.757 1.00 0.00 H Missing atom added: ATOM 30 H1' G S -11 -40.212 56.434 -14.710 1.00 0.00 H Missing atom added: ATOM 28 H2' G S -11 -39.735 58.897 -15.063 1.00 0.00 H Missing atom added: ATOM 29 HO'2 G S -11 -41.845 58.636 -13.367 1.00 0.00 H Missing atom added: ATOM 31 H8 G S -11 -41.589 56.406 -18.135 1.00 0.00 H Missing atom added: ATOM 34 H1 G S -11 -34.767 56.604 -18.385 1.00 0.00 H Missing atom added: ATOM 32 H21 G S -11 -35.682 57.631 -14.988 1.00 0.00 H Missing atom added: ATOM 33 H22 G S -11 -34.599 57.735 -16.259 1.00 0.00 H Missing atom added: ATOM 23 H5'1 A S -10 -44.663 60.769 -15.246 1.00 0.00 H Missing atom added: ATOM 24 H5'2 A S -10 -44.862 61.641 -16.870 1.00 0.00 H Missing atom added: ATOM 25 H4' A S -10 -46.738 61.751 -15.454 1.00 0.00 H Missing atom added: ATOM 26 H3' A S -10 -45.284 64.258 -16.088 1.00 0.00 H Missing atom added: ATOM 29 H1' A S -10 -47.124 63.791 -12.699 1.00 0.00 H Missing atom added: ATOM 27 H2' A S -10 -47.436 65.047 -14.723 1.00 0.00 H Missing atom added: ATOM 28 HO'2 A S -10 -48.276 62.553 -15.354 1.00 0.00 H Missing atom added: ATOM 30 H8 A S -10 -43.519 63.860 -13.730 1.00 0.00 H Missing atom added: ATOM 31 H61 A S -10 -41.964 68.044 -11.878 1.00 0.00 H Missing atom added: ATOM 32 H62 A S -10 -42.761 69.323 -11.076 1.00 0.00 H Missing atom added: ATOM 33 H2 A S -10 -47.411 68.652 -10.922 1.00 0.00 H Missing atom added: ATOM 21 H5'1 C S -9 -47.775 64.985 -16.251 1.00 0.00 H Missing atom added: ATOM 22 H5'2 C S -9 -48.619 66.011 -17.544 1.00 0.00 H Missing atom added: ATOM 23 H4' C S -9 -49.415 66.610 -15.808 1.00 0.00 H Missing atom added: ATOM 24 H3' C S -9 -48.786 67.571 -18.336 1.00 0.00 H Missing atom added: ATOM 27 H1' C S -9 -48.548 69.911 -15.409 1.00 0.00 H Missing atom added: ATOM 25 H2' C S -9 -50.081 69.595 -17.285 1.00 0.00 H Missing atom added: ATOM 26 HO'2 C S -9 -50.678 67.620 -15.505 1.00 0.00 H Missing atom added: ATOM 30 H6 C S -9 -46.294 68.199 -17.617 1.00 0.00 H Missing atom added: ATOM 28 H41 C S -9 -44.044 71.536 -20.095 1.00 0.00 H Missing atom added: ATOM 29 H42 C S -9 -44.880 72.942 -19.590 1.00 0.00 H Missing atom added: ATOM 31 H5 C S -9 -44.381 69.045 -19.409 1.00 0.00 H Missing atom added: ATOM 21 H5'1 C S -8 -52.590 68.251 -17.224 1.00 0.00 H Missing atom added: ATOM 22 H5'2 C S -8 -53.535 68.630 -18.773 1.00 0.00 H Missing atom added: ATOM 23 H4' C S -8 -53.895 70.390 -17.712 1.00 0.00 H Missing atom added: ATOM 24 H3' C S -8 -52.682 70.067 -20.439 1.00 0.00 H Missing atom added: ATOM 27 H1' C S -8 -52.103 73.184 -18.348 1.00 0.00 H Missing atom added: ATOM 25 H2' C S -8 -53.290 72.597 -20.538 1.00 0.00 H Missing atom added: ATOM 26 HO'2 C S -8 -54.901 71.741 -18.521 1.00 0.00 H Missing atom added: ATOM 30 H6 C S -8 -50.231 70.266 -19.578 1.00 0.00 H Missing atom added: ATOM 28 H41 C S -8 -46.674 72.158 -22.066 1.00 0.00 H Missing atom added: ATOM 29 H42 C S -8 -47.048 73.827 -21.987 1.00 0.00 H Missing atom added: ATOM 31 H5 C S -8 -47.882 70.114 -20.966 1.00 0.00 H Missing atom added: ATOM 21 H5'1 C S -7 -56.793 71.538 -23.602 1.00 0.00 H Missing atom added: ATOM 22 H5'2 C S -7 -55.046 71.606 -24.216 1.00 0.00 H Missing atom added: ATOM 23 H4' C S -7 -55.548 72.647 -25.535 1.00 0.00 H Missing atom added: ATOM 24 H3' C S -7 -53.147 71.973 -23.822 1.00 0.00 H Missing atom added: ATOM 27 H1' C S -7 -53.665 75.416 -25.427 1.00 0.00 H Missing atom added: ATOM 25 H2' C S -7 -52.044 73.521 -25.647 1.00 0.00 H Missing atom added: ATOM 26 HO'2 C S -7 -54.321 72.895 -26.980 1.00 0.00 H Missing atom added: ATOM 30 H6 C S -7 -53.903 73.752 -22.226 1.00 0.00 H Missing atom added: ATOM 28 H41 C S -7 -50.706 76.008 -19.637 1.00 0.00 H Missing atom added: ATOM 29 H42 C S -7 -49.926 76.943 -20.840 1.00 0.00 H Missing atom added: ATOM 31 H5 C S -7 -52.707 74.420 -19.775 1.00 0.00 H Missing atom added: ATOM 23 H5'1 A S -6 -52.078 71.059 -28.348 1.00 0.00 H Missing atom added: ATOM 24 H5'2 A S -6 -50.450 70.178 -28.249 1.00 0.00 H Missing atom added: ATOM 25 H4' A S -6 -50.578 71.697 -29.993 1.00 0.00 H Missing atom added: ATOM 26 H3' A S -6 -48.654 72.466 -27.817 1.00 0.00 H Missing atom added: ATOM 29 H1' A S -6 -50.492 75.090 -29.923 1.00 0.00 H Missing atom added: ATOM 27 H2' A S -6 -48.228 74.307 -29.658 1.00 0.00 H Missing atom added: ATOM 28 HO'2 A S -6 -49.579 72.512 -31.212 1.00 0.00 H Missing atom added: ATOM 30 H8 A S -6 -50.507 73.601 -26.419 1.00 0.00 H Missing atom added: ATOM 31 H61 A S -6 -50.310 77.512 -24.084 1.00 0.00 H Missing atom added: ATOM 32 H62 A S -6 -49.841 79.121 -24.411 1.00 0.00 H Missing atom added: ATOM 33 H2 A S -6 -48.138 79.512 -28.773 1.00 0.00 H Missing atom added: ATOM 21 H5'1 C S -5 -46.569 73.593 -30.566 1.00 0.00 H Missing atom added: ATOM 22 H5'2 C S -5 -44.820 73.505 -29.958 1.00 0.00 H Missing atom added: ATOM 23 H4' C S -5 -44.864 75.461 -30.270 1.00 0.00 H Missing atom added: ATOM 24 H3' C S -5 -43.714 73.703 -28.350 1.00 0.00 H Missing atom added: ATOM 27 H1' C S -5 -44.872 77.209 -27.263 1.00 0.00 H Missing atom added: ATOM 25 H2' C S -5 -42.695 75.871 -27.465 1.00 0.00 H Missing atom added: ATOM 26 HO'2 C S -5 -43.523 76.530 -29.966 1.00 0.00 H Missing atom added: ATOM 30 H6 C S -5 -46.129 73.980 -26.583 1.00 0.00 H Missing atom added: ATOM 28 H41 C S -5 -45.142 73.255 -21.995 1.00 0.00 H Missing atom added: ATOM 29 H42 C S -5 -44.086 74.564 -21.675 1.00 0.00 H Missing atom added: ATOM 31 H5 C S -5 -46.326 72.564 -24.240 1.00 0.00 H Missing atom added: ATOM 21 H5'1 U S -4 -38.932 77.007 -29.742 1.00 0.00 H Missing atom added: ATOM 22 H5'2 U S -4 -39.253 76.870 -27.922 1.00 0.00 H Missing atom added: ATOM 23 H4' U S -4 -38.898 79.077 -28.592 1.00 0.00 H Missing atom added: ATOM 24 H3' U S -4 -41.469 78.568 -27.355 1.00 0.00 H Missing atom added: ATOM 27 H1' U S -4 -41.122 81.145 -30.261 1.00 0.00 H Missing atom added: ATOM 25 H2' U S -4 -41.629 81.138 -27.715 1.00 0.00 H Missing atom added: ATOM 26 HO'2 U S -4 -38.956 80.821 -28.101 1.00 0.00 H Missing atom added: ATOM 29 H6 U S -4 -42.479 78.103 -30.698 1.00 0.00 H Missing atom added: ATOM 30 H3 U S -4 -46.093 81.743 -29.896 1.00 0.00 H Missing atom added: ATOM 28 H5 U S -4 -44.828 77.503 -31.072 1.00 0.00 H Missing atom added: ATOM 24 H5'1 G S -3 -41.080 81.104 -25.856 1.00 0.00 H Missing atom added: ATOM 25 H5'2 G S -3 -40.604 81.248 -24.072 1.00 0.00 H Missing atom added: ATOM 26 H4' G S -3 -42.200 82.782 -24.998 1.00 0.00 H Missing atom added: ATOM 27 H3' G S -3 -43.246 81.112 -22.942 1.00 0.00 H Missing atom added: ATOM 30 H1' G S -3 -45.472 82.054 -25.941 1.00 0.00 H Missing atom added: ATOM 28 H2' G S -3 -45.322 82.525 -23.397 1.00 0.00 H Missing atom added: ATOM 29 HO'2 G S -3 -43.569 84.042 -24.825 1.00 0.00 H Missing atom added: ATOM 31 H8 G S -3 -43.883 78.871 -25.296 1.00 0.00 H Missing atom added: ATOM 34 H1 G S -3 -49.898 78.731 -22.213 1.00 0.00 H Missing atom added: ATOM 32 H21 G S -3 -49.631 82.064 -23.746 1.00 0.00 H Missing atom added: ATOM 33 H22 G S -3 -50.429 81.018 -22.712 1.00 0.00 H Missing atom added: ATOM 24 H5'1 G S -2 -44.019 84.029 -21.082 1.00 0.00 H Missing atom added: ATOM 25 H5'2 G S -2 -43.091 84.096 -19.480 1.00 0.00 H Missing atom added: ATOM 26 H4' G S -2 -45.550 84.153 -19.540 1.00 0.00 H Missing atom added: ATOM 27 H3' G S -2 -44.594 81.569 -18.480 1.00 0.00 H Missing atom added: ATOM 30 H1' G S -2 -47.716 81.777 -20.707 1.00 0.00 H Missing atom added: ATOM 28 H2' G S -2 -47.165 81.266 -18.299 1.00 0.00 H Missing atom added: ATOM 29 HO'2 G S -2 -47.159 83.956 -18.659 1.00 0.00 H Missing atom added: ATOM 31 H8 G S -2 -44.326 80.478 -21.605 1.00 0.00 H Missing atom added: ATOM 34 H1 G S -2 -48.688 75.462 -20.030 1.00 0.00 H Missing atom added: ATOM 32 H21 G S -2 -49.922 78.643 -18.477 1.00 0.00 H Missing atom added: ATOM 33 H22 G S -2 -49.766 76.986 -18.299 1.00 0.00 H Missing atom added: ATOM 24 H5'1 G S -1 -46.912 83.255 -15.653 1.00 0.00 H Missing atom added: ATOM 25 H5'2 G S -1 -46.082 83.153 -14.000 1.00 0.00 H Missing atom added: ATOM 26 H4' G S -1 -48.420 82.489 -14.260 1.00 0.00 H Missing atom added: ATOM 27 H3' G S -1 -46.834 79.986 -13.944 1.00 0.00 H Missing atom added: ATOM 30 H1' G S -1 -49.687 80.054 -16.412 1.00 0.00 H Missing atom added: ATOM 28 H2' G S -1 -49.228 79.046 -14.278 1.00 0.00 H Missing atom added: ATOM 29 HO'2 G S -1 -49.868 81.648 -13.745 1.00 0.00 H Missing atom added: ATOM 31 H8 G S -1 -46.083 80.084 -17.198 1.00 0.00 H Missing atom added: ATOM 34 H1 G S -1 -48.373 73.641 -17.477 1.00 0.00 H Missing atom added: ATOM 32 H21 G S -1 -50.954 75.529 -15.686 1.00 0.00 H Missing atom added: ATOM 33 H22 G S -1 -50.225 74.058 -16.013 1.00 0.00 H Missing atom added: ATOM 23 H5'1 A S 0 -49.615 79.101 -12.544 1.00 0.00 H Missing atom added: ATOM 24 H5'2 A S 0 -49.917 78.899 -10.727 1.00 0.00 H Missing atom added: ATOM 25 H4' A S 0 -51.220 77.641 -12.228 1.00 0.00 H Missing atom added: ATOM 26 H3' A S 0 -49.348 76.177 -10.520 1.00 0.00 H Missing atom added: ATOM 29 H1' A S 0 -50.184 74.755 -13.891 1.00 0.00 H Missing atom added: ATOM 27 H2' A S 0 -50.605 74.173 -11.515 1.00 0.00 H Missing atom added: ATOM 28 HO'2 A S 0 -52.293 76.178 -12.396 1.00 0.00 H Missing atom added: ATOM 30 H8 A S 0 -47.183 76.652 -12.623 1.00 0.00 H Missing atom added: ATOM 31 H61 A S 0 -43.839 73.119 -12.547 1.00 0.00 H Missing atom added: ATOM 32 H62 A S 0 -43.930 71.450 -12.901 1.00 0.00 H Missing atom added: ATOM 33 H2 A S 0 -48.330 70.118 -13.843 1.00 0.00 H Missing atom added: ATOM 23 H5'1 A S 13 -53.235 79.984 -10.408 1.00 0.00 H Missing atom added: ATOM 24 H5'2 A S 13 -53.993 80.037 -8.718 1.00 0.00 H Missing atom added: ATOM 25 H4' A S 13 -55.349 80.897 -9.174 1.00 0.00 H Missing atom added: ATOM 26 H3' A S 13 -53.936 80.701 -7.000 1.00 0.00 H Missing atom added: ATOM 29 H1' A S 13 -57.227 78.764 -6.804 1.00 0.00 H Missing atom added: ATOM 27 H2' A S 13 -55.651 80.800 -5.560 1.00 0.00 H Missing atom added: ATOM 28 HO'2 A S 13 -56.945 81.827 -7.246 1.00 0.00 H Missing atom added: ATOM 30 H8 A S 13 -57.300 76.576 -5.965 1.00 0.00 H Missing atom added: ATOM 31 H61 A S 13 -53.504 74.408 -3.334 1.00 0.00 H Missing atom added: ATOM 32 H62 A S 13 -51.897 74.932 -3.086 1.00 0.00 H Missing atom added: ATOM 33 H2 A S 13 -50.861 78.975 -5.235 1.00 0.00 H Missing atom added: ATOM 24 H5'1 G S 14 -56.297 84.183 -6.624 1.00 0.00 H Missing atom added: ATOM 25 H5'2 G S 14 -56.035 85.357 -8.033 1.00 0.00 H Missing atom added: ATOM 26 H4' G S 14 -57.298 85.865 -8.047 1.00 0.00 H Missing atom added: ATOM 27 H3' G S 14 -58.228 86.446 -7.593 1.00 0.00 H Missing atom added: ATOM 30 H1' G S 14 -57.191 85.367 -11.247 1.00 0.00 H Missing atom added: ATOM 28 H2' G S 14 -58.596 87.375 -10.016 1.00 0.00 H Missing atom added: ATOM 29 HO'2 G S 14 -55.971 87.803 -9.772 1.00 0.00 H Missing atom added: ATOM 31 H8 G S 14 -60.303 86.400 -10.283 1.00 0.00 H Missing atom added: ATOM 34 H1 G S 14 -60.353 79.801 -12.196 1.00 0.00 H Missing atom added: ATOM 32 H21 G S 14 -56.997 80.383 -10.982 1.00 0.00 H Missing atom added: ATOM 33 H22 G S 14 -58.099 79.480 -11.859 1.00 0.00 H Missing atom added: ATOM 24 H5'1 G S 15 -57.482 89.214 -4.854 1.00 0.00 H Missing atom added: ATOM 25 H5'2 G S 15 -59.029 90.221 -5.006 1.00 0.00 H Missing atom added: ATOM 26 H4' G S 15 -57.789 90.884 -3.276 1.00 0.00 H Missing atom added: ATOM 27 H3' G S 15 -57.712 92.901 -5.610 1.00 0.00 H Missing atom added: ATOM 30 H1' G S 15 -55.093 92.394 -2.720 1.00 0.00 H Missing atom added: ATOM 28 H2' G S 15 -56.369 94.271 -5.077 1.00 0.00 H Missing atom added: ATOM 29 HO'2 G S 15 -57.382 94.949 -4.381 1.00 0.00 H Missing atom added: ATOM 31 H8 G S 15 -54.184 94.715 -4.366 1.00 0.00 H Missing atom added: ATOM 34 H1 G S 15 -49.837 90.195 -1.551 1.00 0.00 H Missing atom added: ATOM 32 H21 G S 15 -53.197 88.942 -0.726 1.00 0.00 H Missing atom added: ATOM 33 H22 G S 15 -51.599 89.131 -0.266 1.00 0.00 H Missing atom added: ATOM 23 H5'1 A S 16 -58.744 96.163 -3.321 1.00 0.00 H Missing atom added: ATOM 24 H5'2 A S 16 -60.542 96.480 -2.998 1.00 0.00 H Missing atom added: ATOM 25 H4' A S 16 -60.321 98.054 -2.673 1.00 0.00 H Missing atom added: ATOM 26 H3' A S 16 -62.054 95.869 -2.240 1.00 0.00 H Missing atom added: ATOM 29 H1' A S 16 -63.701 98.113 -4.184 1.00 0.00 H Missing atom added: ATOM 27 H2' A S 16 -63.681 95.863 -2.294 1.00 0.00 H Missing atom added: ATOM 28 HO'2 A S 16 -63.904 96.612 -1.198 1.00 0.00 H Missing atom added: ATOM 30 H8 A S 16 -64.204 94.684 -4.825 1.00 0.00 H Missing atom added: ATOM 31 H61 A S 16 -65.041 94.884 -9.620 1.00 0.00 H Missing atom added: ATOM 32 H62 A S 16 -64.431 95.934 -10.821 1.00 0.00 H Missing atom added: ATOM 33 H2 A S 16 -62.939 99.965 -8.970 1.00 0.00 H Missing atom added: ATOM 21 H5'1 U S 17 -60.797 96.261 2.492 1.00 0.00 H Missing atom added: ATOM 22 H5'2 U S 17 -60.454 98.061 2.769 1.00 0.00 H Missing atom added: ATOM 23 H4' U S 17 -59.472 95.876 3.659 1.00 0.00 H Missing atom added: ATOM 24 H3' U S 17 -58.608 96.237 4.493 1.00 0.00 H Missing atom added: ATOM 27 H1' U S 17 -57.889 93.451 1.569 1.00 0.00 H Missing atom added: ATOM 25 H2' U S 17 -57.610 93.984 4.476 1.00 0.00 H Missing atom added: ATOM 26 HO'2 U S 17 -59.831 93.258 4.221 1.00 0.00 H Missing atom added: ATOM 29 H6 U S 17 -56.524 92.917 0.559 1.00 0.00 H Missing atom added: ATOM 30 H3 U S 17 -53.395 96.176 3.135 1.00 0.00 H Missing atom added: ATOM 28 H5 U S 17 -54.094 92.976 -0.022 1.00 0.00 H Missing atom added: ATOM 23 H5'1 A S 18 -58.239 95.982 8.082 1.00 0.00 H Missing atom added: ATOM 24 H5'2 A S 18 -58.069 94.464 7.031 1.00 0.00 H Missing atom added: ATOM 25 H4' A S 18 -57.209 95.026 9.305 1.00 0.00 H Missing atom added: ATOM 26 H3' A S 18 -56.839 93.536 9.679 1.00 0.00 H Missing atom added: ATOM 29 H1' A S 18 -59.531 95.354 12.157 1.00 0.00 H Missing atom added: ATOM 27 H2' A S 18 -56.688 94.264 12.144 1.00 0.00 H Missing atom added: ATOM 28 HO'2 A S 18 -56.400 96.535 11.244 1.00 0.00 H Missing atom added: ATOM 30 H8 A S 18 -60.510 92.538 11.000 1.00 0.00 H Missing atom added: ATOM 31 H61 A S 18 -60.886 90.115 14.888 1.00 0.00 H Missing atom added: ATOM 32 H62 A S 18 -60.469 90.352 16.527 1.00 0.00 H Missing atom added: ATOM 33 H2 A S 18 -58.387 94.659 17.110 1.00 0.00 H Missing atom added: ATOM 23 H5'1 A S 19 -52.898 97.308 11.018 1.00 0.00 H Missing atom added: ATOM 24 H5'2 A S 19 -52.201 96.023 12.157 1.00 0.00 H Missing atom added: ATOM 25 H4' A S 19 -52.170 98.458 11.553 1.00 0.00 H Missing atom added: ATOM 26 H3' A S 19 -51.191 98.749 12.105 1.00 0.00 H Missing atom added: ATOM 29 H1' A S 19 -54.197 100.816 10.702 1.00 0.00 H Missing atom added: ATOM 27 H2' A S 19 -51.376 100.899 10.791 1.00 0.00 H Missing atom added: ATOM 28 HO'2 A S 19 -52.010 99.420 8.799 1.00 0.00 H Missing atom added: ATOM 30 H8 A S 19 -53.738 100.030 14.174 1.00 0.00 H Missing atom added: ATOM 31 H61 A S 19 -53.779 104.617 15.538 1.00 0.00 H Missing atom added: ATOM 32 H62 A S 19 -53.258 106.085 14.838 1.00 0.00 H Missing atom added: ATOM 33 H2 A S 19 -52.564 105.302 10.087 1.00 0.00 H Missing atom added: ATOM 24 H5'1 G S 20 -46.465 98.968 11.645 1.00 0.00 H Missing atom added: ATOM 25 H5'2 G S 20 -47.467 99.399 13.143 1.00 0.00 H Missing atom added: ATOM 26 H4' G S 20 -46.086 101.047 12.970 1.00 0.00 H Missing atom added: ATOM 27 H3' G S 20 -48.877 101.490 13.415 1.00 0.00 H Missing atom added: ATOM 30 H1' G S 20 -46.621 103.803 10.948 1.00 0.00 H Missing atom added: ATOM 28 H2' G S 20 -48.546 103.854 13.406 1.00 0.00 H Missing atom added: ATOM 29 HO'2 G S 20 -46.547 103.507 14.405 1.00 0.00 H Missing atom added: ATOM 31 H8 G S 20 -48.748 105.269 12.091 1.00 0.00 H Missing atom added: ATOM 34 H1 G S 20 -50.259 104.196 5.538 1.00 0.00 H Missing atom added: ATOM 32 H21 G S 20 -47.919 101.487 6.427 1.00 0.00 H Missing atom added: ATOM 33 H22 G S 20 -48.664 102.438 5.269 1.00 0.00 H Missing atom added: ATOM 21 H5'1 U S 21 -50.685 99.622 16.209 1.00 0.00 H Missing atom added: ATOM 22 H5'2 U S 21 -50.855 101.148 15.171 1.00 0.00 H Missing atom added: ATOM 23 H4' U S 21 -52.386 99.742 16.550 1.00 0.00 H Missing atom added: ATOM 24 H3' U S 21 -50.573 100.160 19.040 1.00 0.00 H Missing atom added: ATOM 27 H1' U S 21 -52.799 96.920 17.420 1.00 0.00 H Missing atom added: ATOM 25 H2' U S 21 -52.606 98.526 19.853 1.00 0.00 H Missing atom added: ATOM 26 HO'2 U S 21 -53.751 100.177 18.181 1.00 0.00 H Missing atom added: ATOM 29 H6 U S 21 -53.577 95.569 18.272 1.00 0.00 H Missing atom added: ATOM 30 H3 U S 21 -49.200 94.963 20.994 1.00 0.00 H Missing atom added: ATOM 28 H5 U S 21 -53.257 93.464 19.474 1.00 0.00 H Missing atom added: ATOM 24 H5'1 G S 22 -54.079 101.911 18.703 1.00 0.00 H Missing atom added: ATOM 25 H5'2 G S 22 -54.501 102.902 20.211 1.00 0.00 H Missing atom added: ATOM 26 H4' G S 22 -56.411 102.519 19.152 1.00 0.00 H Missing atom added: ATOM 27 H3' G S 22 -55.810 100.351 21.461 1.00 0.00 H Missing atom added: ATOM 30 H1' G S 22 -57.920 99.380 18.970 1.00 0.00 H Missing atom added: ATOM 28 H2' G S 22 -56.552 98.994 21.634 1.00 0.00 H Missing atom added: ATOM 29 HO'2 G S 22 -57.508 99.304 22.390 1.00 0.00 H Missing atom added: ATOM 31 H8 G S 22 -56.043 97.306 20.361 1.00 0.00 H Missing atom added: ATOM 34 H1 G S 22 -56.015 96.525 13.537 1.00 0.00 H Missing atom added: ATOM 32 H21 G S 22 -57.282 99.831 14.096 1.00 0.00 H Missing atom added: ATOM 33 H22 G S 22 -57.471 98.382 13.282 1.00 0.00 H Missing atom added: ATOM 21 H5'1 C S 23 -60.259 100.264 24.072 1.00 0.00 H Missing atom added: ATOM 22 H5'2 C S 23 -61.320 101.722 23.642 1.00 0.00 H Missing atom added: ATOM 23 H4' C S 23 -62.421 101.362 24.115 1.00 0.00 H Missing atom added: ATOM 24 H3' C S 23 -61.635 103.709 24.685 1.00 0.00 H Missing atom added: ATOM 27 H1' C S 23 -64.524 102.295 24.868 1.00 0.00 H Missing atom added: ATOM 25 H2' C S 23 -62.568 104.281 25.627 1.00 0.00 H Missing atom added: ATOM 26 HO'2 C S 23 -63.002 105.163 24.705 1.00 0.00 H Missing atom added: ATOM 30 H6 C S 23 -63.393 103.172 27.369 1.00 0.00 H Missing atom added: ATOM 28 H41 C S 23 -64.464 100.016 30.774 1.00 0.00 H Missing atom added: ATOM 29 H42 C S 23 -64.997 98.636 29.911 1.00 0.00 H Missing atom added: ATOM 31 H5 C S 23 -63.641 102.306 29.934 1.00 0.00 H Missing atom added: ATOM 23 H5'1 A S 24 -66.692 103.687 23.193 1.00 0.00 H Missing atom added: ATOM 24 H5'2 A S 24 -65.532 102.479 23.988 1.00 0.00 H Missing atom added: ATOM 25 H4' A S 24 -68.030 102.581 23.323 1.00 0.00 H Missing atom added: ATOM 26 H3' A S 24 -68.228 101.614 24.127 1.00 0.00 H Missing atom added: ATOM 29 H1' A S 24 -69.355 100.839 21.070 1.00 0.00 H Missing atom added: ATOM 27 H2' A S 24 -68.919 100.324 23.976 1.00 0.00 H Missing atom added: ATOM 28 HO'2 A S 24 -70.006 100.888 24.393 1.00 0.00 H Missing atom added: ATOM 30 H8 A S 24 -66.108 99.917 20.553 1.00 0.00 H Missing atom added: ATOM 31 H61 A S 24 -67.477 95.356 19.038 1.00 0.00 H Missing atom added: ATOM 32 H62 A S 24 -69.040 94.669 19.092 1.00 0.00 H Missing atom added: ATOM 33 H2 A S 24 -72.350 97.340 20.824 1.00 0.00 H Missing atom added: ATOM 21 H5'1 U S 25 -72.829 104.350 22.394 1.00 0.00 H Missing atom added: ATOM 22 H5'2 U S 25 -71.294 104.324 21.355 1.00 0.00 H Missing atom added: ATOM 23 H4' U S 25 -73.113 105.688 20.625 1.00 0.00 H Missing atom added: ATOM 24 H3' U S 25 -71.996 107.705 22.862 1.00 0.00 H Missing atom added: ATOM 27 H1' U S 25 -75.386 107.525 20.761 1.00 0.00 H Missing atom added: ATOM 25 H2' U S 25 -73.385 109.405 21.558 1.00 0.00 H Missing atom added: ATOM 26 HO'2 U S 25 -72.408 108.134 19.552 1.00 0.00 H Missing atom added: ATOM 29 H6 U S 25 -73.880 108.026 23.942 1.00 0.00 H Missing atom added: ATOM 30 H3 U S 25 -78.278 110.490 22.776 1.00 0.00 H Missing atom added: ATOM 28 H5 U S 25 -75.078 109.085 25.775 1.00 0.00 H Missing atom added: ATOM 21 H5'1 U S 26 -72.668 110.267 23.369 1.00 0.00 H Missing atom added: ATOM 22 H5'2 U S 26 -71.206 111.293 23.861 1.00 0.00 H Missing atom added: ATOM 23 H4' U S 26 -72.237 111.250 25.601 1.00 0.00 H Missing atom added: ATOM 24 H3' U S 26 -71.562 112.684 25.398 1.00 0.00 H Missing atom added: ATOM 27 H1' U S 26 -69.924 109.908 27.894 1.00 0.00 H Missing atom added: ATOM 25 H2' U S 26 -71.289 112.499 27.974 1.00 0.00 H Missing atom added: ATOM 26 HO'2 U S 26 -73.233 111.100 27.652 1.00 0.00 H Missing atom added: ATOM 29 H6 U S 26 -69.105 110.108 29.268 1.00 0.00 H Missing atom added: ATOM 30 H3 U S 26 -66.459 113.812 26.676 1.00 0.00 H Missing atom added: ATOM 28 H5 U S 26 -67.019 111.054 30.340 1.00 0.00 H Missing atom added: ATOM 23 H5'1 A S 27 -72.287 113.842 27.385 1.00 0.00 H Missing atom added: ATOM 24 H5'2 A S 27 -73.899 114.653 27.808 1.00 0.00 H Missing atom added: ATOM 25 H4' A S 27 -71.650 115.012 28.843 1.00 0.00 H Missing atom added: ATOM 26 H3' A S 27 -71.953 115.009 29.958 1.00 0.00 H Missing atom added: ATOM 29 H1' A S 27 -70.036 117.678 28.551 1.00 0.00 H Missing atom added: ATOM 27 H2' A S 27 -71.524 116.341 30.872 1.00 0.00 H Missing atom added: ATOM 28 HO'2 A S 27 -70.492 115.866 31.415 1.00 0.00 H Missing atom added: ATOM 30 H8 A S 27 -73.243 118.501 29.768 1.00 0.00 H Missing atom added: ATOM 31 H61 A S 27 -71.446 123.067 30.779 1.00 0.00 H Missing atom added: ATOM 32 H62 A S 27 -69.922 123.729 30.385 1.00 0.00 H Missing atom added: ATOM 33 H2 A S 27 -67.170 120.906 28.002 1.00 0.00 H Missing atom added: ATOM 21 H5'1 U S 28 -71.541 114.404 32.002 1.00 0.00 H Missing atom added: ATOM 22 H5'2 U S 28 -70.326 114.575 33.391 1.00 0.00 H Missing atom added: ATOM 23 H4' U S 28 -71.940 113.661 34.343 1.00 0.00 H Missing atom added: ATOM 24 H3' U S 28 -71.930 114.658 35.172 1.00 0.00 H Missing atom added: ATOM 27 H1' U S 28 -70.138 111.624 36.353 1.00 0.00 H Missing atom added: ATOM 25 H2' U S 28 -72.248 112.829 36.941 1.00 0.00 H Missing atom added: ATOM 26 HO'2 U S 28 -72.926 111.398 34.799 1.00 0.00 H Missing atom added: ATOM 29 H6 U S 28 -69.575 115.041 35.473 1.00 0.00 H Missing atom added: ATOM 30 H3 U S 28 -69.233 113.993 40.496 1.00 0.00 H Missing atom added: ATOM 28 H5 U S 28 -68.687 116.795 36.981 1.00 0.00 H Missing atom added: ATOM 24 H5'1 G S 29 -77.160 114.954 36.307 1.00 0.00 H Missing atom added: ATOM 25 H5'2 G S 29 -76.352 114.409 37.882 1.00 0.00 H Missing atom added: ATOM 26 H4' G S 29 -78.561 113.835 37.735 1.00 0.00 H Missing atom added: ATOM 27 H3' G S 29 -78.942 114.602 38.528 1.00 0.00 H Missing atom added: ATOM 30 H1' G S 29 -79.225 110.765 38.456 1.00 0.00 H Missing atom added: ATOM 28 H2' G S 29 -80.790 112.939 38.784 1.00 0.00 H Missing atom added: ATOM 29 HO'2 G S 29 -80.538 112.802 36.266 1.00 0.00 H Missing atom added: ATOM 31 H8 G S 29 -76.640 111.964 40.436 1.00 0.00 H Missing atom added: ATOM 34 H1 G S 29 -82.035 109.915 44.079 1.00 0.00 H Missing atom added: ATOM 32 H21 G S 29 -83.479 111.027 40.821 1.00 0.00 H Missing atom added: ATOM 33 H22 G S 29 -83.690 110.813 42.467 1.00 0.00 H Missing atom added: ATOM 21 H5'1 U S 30 -78.596 117.518 37.096 1.00 0.00 H Missing atom added: ATOM 22 H5'2 U S 30 -79.709 118.512 38.195 1.00 0.00 H Missing atom added: ATOM 23 H4' U S 30 -78.654 119.998 37.262 1.00 0.00 H Missing atom added: ATOM 24 H3' U S 30 -81.671 119.825 36.292 1.00 0.00 H Missing atom added: ATOM 27 H1' U S 30 -78.635 121.938 35.015 1.00 0.00 H Missing atom added: ATOM 25 H2' U S 30 -81.032 122.379 35.803 1.00 0.00 H Missing atom added: ATOM 26 HO'2 U S 30 -79.657 121.848 38.017 1.00 0.00 H Missing atom added: ATOM 29 H6 U S 30 -81.872 121.464 34.270 1.00 0.00 H Missing atom added: ATOM 30 H3 U S 30 -78.331 121.610 30.471 1.00 0.00 H Missing atom added: ATOM 28 H5 U S 30 -82.656 121.881 31.886 1.00 0.00 H Missing atom added: ATOM 21 H5'1 U S 31 -83.841 120.236 40.093 1.00 0.00 H Missing atom added: ATOM 22 H5'2 U S 31 -83.076 121.033 41.580 1.00 0.00 H Missing atom added: ATOM 23 H4' U S 31 -84.727 119.880 42.279 1.00 0.00 H Missing atom added: ATOM 24 H3' U S 31 -81.923 118.529 42.880 1.00 0.00 H Missing atom added: ATOM 27 H1' U S 31 -85.344 116.918 43.212 1.00 0.00 H Missing atom added: ATOM 25 H2' U S 31 -83.337 117.377 44.730 1.00 0.00 H Missing atom added: ATOM 26 HO'2 U S 31 -84.572 119.715 44.600 1.00 0.00 H Missing atom added: ATOM 29 H6 U S 31 -82.196 116.898 41.369 1.00 0.00 H Missing atom added: ATOM 30 H3 U S 31 -83.369 112.634 44.001 1.00 0.00 H Missing atom added: ATOM 28 H5 U S 31 -80.558 115.078 41.471 1.00 0.00 H Missing atom added: ATOM 21 H5'1 U S 32 -82.656 119.203 47.085 1.00 0.00 H Missing atom added: ATOM 22 H5'2 U S 32 -80.970 119.512 47.788 1.00 0.00 H Missing atom added: ATOM 23 H4' U S 32 -82.496 118.321 49.084 1.00 0.00 H Missing atom added: ATOM 24 H3' U S 32 -80.538 116.334 48.561 1.00 0.00 H Missing atom added: ATOM 27 H1' U S 32 -84.393 115.581 48.070 1.00 0.00 H Missing atom added: ATOM 25 H2' U S 32 -82.195 114.789 49.677 1.00 0.00 H Missing atom added: ATOM 26 HO'2 U S 32 -82.943 116.801 50.867 1.00 0.00 H Missing atom added: ATOM 29 H6 U S 32 -81.064 114.596 47.567 1.00 0.00 H Missing atom added: ATOM 30 H3 U S 32 -85.009 111.646 46.092 1.00 0.00 H Missing atom added: ATOM 28 H5 U S 32 -80.602 112.418 46.873 1.00 0.00 H Missing atom added: ATOM 23 H5'1 A S 33 -80.468 119.230 51.866 1.00 0.00 H Missing atom added: ATOM 24 H5'2 A S 33 -78.672 118.917 52.201 1.00 0.00 H Missing atom added: ATOM 25 H4' A S 33 -79.715 120.755 53.333 1.00 0.00 H Missing atom added: ATOM 26 H3' A S 33 -79.301 118.849 55.545 1.00 0.00 H Missing atom added: ATOM 29 H1' A S 33 -82.494 120.617 55.487 1.00 0.00 H Missing atom added: ATOM 27 H2' A S 33 -80.379 120.021 57.116 1.00 0.00 H Missing atom added: ATOM 28 HO'2 A S 33 -80.018 122.032 55.817 1.00 0.00 H Missing atom added: ATOM 30 H8 A S 33 -82.091 117.590 53.745 1.00 0.00 H Missing atom added: ATOM 31 H61 A S 33 -83.116 113.960 56.622 1.00 0.00 H Missing atom added: ATOM 32 H62 A S 33 -83.523 113.840 58.277 1.00 0.00 H Missing atom added: ATOM 33 H2 A S 33 -83.301 118.147 60.371 1.00 0.00 H Missing atom added: ATOM 21 H5'1 U S 34 -78.007 120.657 59.305 1.00 0.00 H Missing atom added: ATOM 22 H5'2 U S 34 -76.267 120.146 58.925 1.00 0.00 H Missing atom added: ATOM 23 H4' U S 34 -78.015 120.447 60.714 1.00 0.00 H Missing atom added: ATOM 24 H3' U S 34 -77.592 119.174 61.310 1.00 0.00 H Missing atom added: ATOM 27 H1' U S 34 -81.207 119.514 60.936 1.00 0.00 H Missing atom added: ATOM 25 H2' U S 34 -79.320 119.216 62.688 1.00 0.00 H Missing atom added: ATOM 26 HO'2 U S 34 -79.424 121.591 62.173 1.00 0.00 H Missing atom added: ATOM 29 H6 U S 34 -79.935 118.286 58.002 1.00 0.00 H Missing atom added: ATOM 30 H3 U S 34 -80.479 114.375 61.257 1.00 0.00 H Missing atom added: ATOM 28 H5 U S 34 -79.853 116.016 57.083 1.00 0.00 H Missing atom added: ATOM 24 H5'1 G S 35 -78.459 120.484 64.468 1.00 0.00 H Missing atom added: ATOM 25 H5'2 G S 35 -77.017 120.933 65.541 1.00 0.00 H Missing atom added: ATOM 26 H4' G S 35 -78.238 119.118 66.319 1.00 0.00 H Missing atom added: ATOM 27 H3' G S 35 -75.464 118.479 65.320 1.00 0.00 H Missing atom added: ATOM 30 H1' G S 35 -78.608 115.972 64.991 1.00 0.00 H Missing atom added: ATOM 28 H2' G S 35 -75.460 116.356 65.791 1.00 0.00 H Missing atom added: ATOM 29 HO'2 G S 35 -76.546 116.824 67.626 1.00 0.00 H Missing atom added: ATOM 31 H8 G S 35 -77.369 117.214 62.146 1.00 0.00 H Missing atom added: ATOM 34 H1 G S 35 -77.957 110.404 63.046 1.00 0.00 H Missing atom added: ATOM 32 H21 G S 35 -77.957 111.800 66.296 1.00 0.00 H Missing atom added: ATOM 33 H22 G S 35 -77.672 110.546 65.225 1.00 0.00 H Missing atom added: ATOM 21 H5'1 U S 36 -74.024 121.220 69.652 1.00 0.00 H Missing atom added: ATOM 22 H5'2 U S 36 -74.016 119.893 70.946 1.00 0.00 H Missing atom added: ATOM 23 H4' U S 36 -74.525 121.628 72.040 1.00 0.00 H Missing atom added: ATOM 24 H3' U S 36 -73.639 120.984 72.988 1.00 0.00 H Missing atom added: ATOM 27 H1' U S 36 -77.439 120.588 73.799 1.00 0.00 H Missing atom added: ATOM 25 H2' U S 36 -75.237 121.732 74.806 1.00 0.00 H Missing atom added: ATOM 26 HO'2 U S 36 -76.023 123.359 72.999 1.00 0.00 H Missing atom added: ATOM 29 H6 U S 36 -75.681 118.056 72.664 1.00 0.00 H Missing atom added: ATOM 30 H3 U S 36 -75.941 118.204 77.805 1.00 0.00 H Missing atom added: ATOM 28 H5 U S 36 -75.396 115.924 73.928 1.00 0.00 H Missing atom added: ATOM 24 H5'1 G S 37 -73.159 123.051 76.561 1.00 0.00 H Missing atom added: ATOM 25 H5'2 G S 37 -71.418 123.579 76.209 1.00 0.00 H Missing atom added: ATOM 26 H4' G S 37 -71.450 121.929 77.811 1.00 0.00 H Missing atom added: ATOM 27 H3' G S 37 -70.258 120.906 75.194 1.00 0.00 H Missing atom added: ATOM 30 H1' G S 37 -71.910 118.697 77.960 1.00 0.00 H Missing atom added: ATOM 28 H2' G S 37 -69.707 118.945 76.789 1.00 0.00 H Missing atom added: ATOM 29 HO'2 G S 37 -69.905 120.863 78.615 1.00 0.00 H Missing atom added: ATOM 31 H8 G S 37 -73.000 119.825 74.482 1.00 0.00 H Missing atom added: ATOM 34 H1 G S 37 -71.310 113.230 75.072 1.00 0.00 H Missing atom added: ATOM 32 H21 G S 37 -70.121 114.846 78.151 1.00 0.00 H Missing atom added: ATOM 33 H22 G S 37 -69.932 113.558 77.100 1.00 0.00 H Missing atom added: ATOM 24 H5'1 G S 38 -67.016 122.044 77.891 1.00 0.00 H Missing atom added: ATOM 25 H5'2 G S 38 -65.564 122.074 76.741 1.00 0.00 H Missing atom added: ATOM 26 H4' G S 38 -65.179 121.383 79.029 1.00 0.00 H Missing atom added: ATOM 27 H3' G S 38 -65.274 118.854 77.272 1.00 0.00 H Missing atom added: ATOM 30 H1' G S 38 -66.435 119.013 81.105 1.00 0.00 H Missing atom added: ATOM 28 H2' G S 38 -64.694 117.650 79.379 1.00 0.00 H Missing atom added: ATOM 29 HO'2 G S 38 -63.378 119.623 79.943 1.00 0.00 H Missing atom added: ATOM 31 H8 G S 38 -67.926 118.131 77.872 1.00 0.00 H Missing atom added: ATOM 34 H1 G S 38 -68.310 113.211 82.555 1.00 0.00 H Missing atom added: ATOM 32 H21 G S 38 -66.142 115.877 84.072 1.00 0.00 H Missing atom added: ATOM 33 H22 G S 38 -66.378 114.230 83.895 1.00 0.00 H Missing atom added: ATOM 21 H5'1 U S 39 -61.600 117.670 78.978 1.00 0.00 H Missing atom added: ATOM 22 H5'2 U S 39 -60.509 117.038 77.620 1.00 0.00 H Missing atom added: ATOM 23 H4' U S 39 -61.186 116.103 79.940 1.00 0.00 H Missing atom added: ATOM 24 H3' U S 39 -60.811 114.546 79.765 1.00 0.00 H Missing atom added: ATOM 27 H1' U S 39 -64.657 115.342 80.750 1.00 0.00 H Missing atom added: ATOM 25 H2' U S 39 -62.483 114.309 81.936 1.00 0.00 H Missing atom added: ATOM 26 HO'2 U S 39 -61.868 116.861 81.911 1.00 0.00 H Missing atom added: ATOM 29 H6 U S 39 -63.967 114.008 77.836 1.00 0.00 H Missing atom added: ATOM 30 H3 U S 39 -65.275 110.377 81.363 1.00 0.00 H Missing atom added: ATOM 28 H5 U S 39 -64.530 111.795 77.038 1.00 0.00 H Missing atom added: ATOM 24 H5'1 G S 40 -57.926 112.072 80.755 1.00 0.00 H Missing atom added: ATOM 25 H5'2 G S 40 -59.195 112.349 79.434 1.00 0.00 H Missing atom added: ATOM 26 H4' G S 40 -59.330 110.680 79.020 1.00 0.00 H Missing atom added: ATOM 27 H3' G S 40 -58.350 111.214 77.999 1.00 0.00 H Missing atom added: ATOM 30 H1' G S 40 -62.269 111.444 77.348 1.00 0.00 H Missing atom added: ATOM 28 H2' G S 40 -59.939 109.998 76.482 1.00 0.00 H Missing atom added: ATOM 29 HO'2 G S 40 -60.644 108.823 78.639 1.00 0.00 H Missing atom added: ATOM 31 H8 G S 40 -62.921 111.395 75.399 1.00 0.00 H Missing atom added: ATOM 34 H1 G S 40 -58.157 116.047 73.723 1.00 0.00 H Missing atom added: ATOM 32 H21 G S 40 -57.860 115.635 77.296 1.00 0.00 H Missing atom added: ATOM 33 H22 G S 40 -57.726 116.633 75.959 1.00 0.00 H Missing atom added: ATOM 23 H5'1 A S 41 -55.758 109.759 79.303 1.00 0.00 H Missing atom added: ATOM 24 H5'2 A S 41 -55.036 109.323 77.652 1.00 0.00 H Missing atom added: ATOM 25 H4' A S 41 -53.430 109.287 79.251 1.00 0.00 H Missing atom added: ATOM 26 H3' A S 41 -53.659 107.520 77.277 1.00 0.00 H Missing atom added: ATOM 29 H1' A S 41 -53.270 105.451 79.697 1.00 0.00 H Missing atom added: ATOM 27 H2' A S 41 -53.268 106.156 76.909 1.00 0.00 H Missing atom added: ATOM 28 HO'2 A S 41 -51.896 106.147 77.044 1.00 0.00 H Missing atom added: ATOM 30 H8 A S 41 -56.220 105.995 80.802 1.00 0.00 H Missing atom added: ATOM 31 H61 A S 41 -58.351 101.758 79.722 1.00 0.00 H Missing atom added: ATOM 32 H62 A S 41 -57.864 100.396 78.814 1.00 0.00 H Missing atom added: ATOM 33 H2 A S 41 -53.584 101.379 76.739 1.00 0.00 H Missing atom added: ATOM 21 H5'1 U S 42 -49.379 109.199 80.975 1.00 0.00 H Missing atom added: ATOM 22 H5'2 U S 42 -49.716 109.989 79.333 1.00 0.00 H Missing atom added: ATOM 23 H4' U S 42 -47.857 110.616 80.739 1.00 0.00 H Missing atom added: ATOM 24 H3' U S 42 -46.993 110.076 78.401 1.00 0.00 H Missing atom added: ATOM 27 H1' U S 42 -44.910 108.272 80.250 1.00 0.00 H Missing atom added: ATOM 25 H2' U S 42 -45.765 109.626 77.723 1.00 0.00 H Missing atom added: ATOM 26 HO'2 U S 42 -45.068 110.697 77.980 1.00 0.00 H Missing atom added: ATOM 29 H6 U S 42 -47.778 106.653 79.434 1.00 0.00 H Missing atom added: ATOM 30 H3 U S 42 -43.197 104.265 78.952 1.00 0.00 H Missing atom added: ATOM 28 H5 U S 42 -47.739 104.252 79.119 1.00 0.00 H Missing atom added: ATOM 21 H5'1 U S 43 -43.046 111.454 81.974 1.00 0.00 H Missing atom added: ATOM 22 H5'2 U S 43 -44.749 111.513 82.702 1.00 0.00 H Missing atom added: ATOM 23 H4' U S 43 -44.181 111.173 84.173 1.00 0.00 H Missing atom added: ATOM 24 H3' U S 43 -44.151 109.846 84.342 1.00 0.00 H Missing atom added: ATOM 27 H1' U S 43 -47.732 111.815 84.298 1.00 0.00 H Missing atom added: ATOM 25 H2' U S 43 -46.039 110.046 86.080 1.00 0.00 H Missing atom added: ATOM 26 HO'2 U S 43 -45.093 112.298 86.390 1.00 0.00 H Missing atom added: ATOM 29 H6 U S 43 -49.231 111.684 84.515 1.00 0.00 H Missing atom added: ATOM 30 H3 U S 43 -48.556 106.599 83.495 1.00 0.00 H Missing atom added: ATOM 28 H5 U S 43 -51.246 110.246 84.473 1.00 0.00 H Missing atom added: ATOM 21 H5'1 U S 44 -43.367 107.125 86.439 1.00 0.00 H Missing atom added: ATOM 22 H5'2 U S 44 -41.925 107.297 87.590 1.00 0.00 H Missing atom added: ATOM 23 H4' U S 44 -41.348 105.713 87.110 1.00 0.00 H Missing atom added: ATOM 24 H3' U S 44 -39.699 107.038 85.159 1.00 0.00 H Missing atom added: ATOM 27 H1' U S 44 -39.832 104.160 88.052 1.00 0.00 H Missing atom added: ATOM 25 H2' U S 44 -37.808 105.742 86.547 1.00 0.00 H Missing atom added: ATOM 26 HO'2 U S 44 -38.697 107.483 88.179 1.00 0.00 H Missing atom added: ATOM 29 H6 U S 44 -40.964 103.194 85.392 1.00 0.00 H Missing atom added: ATOM 30 H3 U S 44 -36.289 101.304 86.520 1.00 0.00 H Missing atom added: ATOM 28 H5 U S 44 -40.137 101.340 83.994 1.00 0.00 H Missing atom added: ATOM 24 H5'1 G S 45 -37.428 105.640 85.191 1.00 0.00 H Missing atom added: ATOM 25 H5'2 G S 45 -35.939 106.433 84.426 1.00 0.00 H Missing atom added: ATOM 26 H4' G S 45 -35.603 105.092 83.564 1.00 0.00 H Missing atom added: ATOM 27 H3' G S 45 -35.618 108.228 82.974 1.00 0.00 H Missing atom added: ATOM 30 H1' G S 45 -35.802 106.191 80.296 1.00 0.00 H Missing atom added: ATOM 28 H2' G S 45 -34.452 108.094 81.116 1.00 0.00 H Missing atom added: ATOM 29 HO'2 G S 45 -33.397 106.018 82.111 1.00 0.00 H Missing atom added: ATOM 31 H8 G S 45 -38.510 105.958 80.303 1.00 0.00 H Missing atom added: ATOM 34 H1 G S 45 -39.050 112.754 80.914 1.00 0.00 H Missing atom added: ATOM 32 H21 G S 45 -36.098 111.788 82.825 1.00 0.00 H Missing atom added: ATOM 33 H22 G S 45 -37.584 112.556 82.819 1.00 0.00 H Missing atom added: ATOM 21 H5'1 C S 46 -30.769 106.388 83.743 1.00 0.00 H Missing atom added: ATOM 22 H5'2 C S 46 -31.564 106.298 85.415 1.00 0.00 H Missing atom added: ATOM 23 H4' C S 46 -29.993 105.600 86.114 1.00 0.00 H Missing atom added: ATOM 24 H3' C S 46 -30.349 104.408 86.179 1.00 0.00 H Missing atom added: ATOM 27 H1' C S 46 -31.373 106.207 89.096 1.00 0.00 H Missing atom added: ATOM 25 H2' C S 46 -29.874 104.097 88.395 1.00 0.00 H Missing atom added: ATOM 26 HO'2 C S 46 -28.403 106.159 88.340 1.00 0.00 H Missing atom added: ATOM 30 H6 C S 46 -32.754 105.117 86.107 1.00 0.00 H Missing atom added: ATOM 28 H41 C S 46 -36.302 102.146 87.391 1.00 0.00 H Missing atom added: ATOM 29 H42 C S 46 -35.929 101.972 89.053 1.00 0.00 H Missing atom added: ATOM 31 H5 C S 46 -34.865 103.599 85.518 1.00 0.00 H Missing atom added: ATOM 21 H5'1 C S 47 -26.181 101.518 85.732 1.00 0.00 H Missing atom added: ATOM 22 H5'2 C S 47 -24.909 102.414 86.739 1.00 0.00 H Missing atom added: ATOM 23 H4' C S 47 -23.941 101.209 85.093 1.00 0.00 H Missing atom added: ATOM 24 H3' C S 47 -23.167 100.813 86.074 1.00 0.00 H Missing atom added: ATOM 27 H1' C S 47 -21.300 103.006 84.522 1.00 0.00 H Missing atom added: ATOM 25 H2' C S 47 -21.664 100.845 86.400 1.00 0.00 H Missing atom added: ATOM 26 HO'2 C S 47 -21.145 100.004 85.595 1.00 0.00 H Missing atom added: ATOM 30 H6 C S 47 -20.965 102.719 87.572 1.00 0.00 H Missing atom added: ATOM 28 H41 C S 47 -19.475 106.709 89.258 1.00 0.00 H Missing atom added: ATOM 29 H42 C S 47 -19.825 107.848 88.029 1.00 0.00 H Missing atom added: ATOM 31 H5 C S 47 -19.741 104.306 89.449 1.00 0.00 H Missing atom added: ATOM 21 H5'1 C S 48 -22.608 95.944 83.054 1.00 0.00 H Missing atom added: ATOM 22 H5'2 C S 48 -23.482 96.046 84.686 1.00 0.00 H Missing atom added: ATOM 23 H4' C S 48 -22.036 94.318 84.680 1.00 0.00 H Missing atom added: ATOM 24 H3' C S 48 -22.907 93.507 84.728 1.00 0.00 H Missing atom added: ATOM 27 H1' C S 48 -21.358 93.907 87.661 1.00 0.00 H Missing atom added: ATOM 25 H2' C S 48 -23.272 92.593 85.890 1.00 0.00 H Missing atom added: ATOM 26 HO'2 C S 48 -22.526 91.640 85.501 1.00 0.00 H Missing atom added: ATOM 30 H6 C S 48 -23.511 96.476 87.671 1.00 0.00 H Missing atom added: ATOM 28 H41 C S 48 -25.677 95.691 91.870 1.00 0.00 H Missing atom added: ATOM 29 H42 C S 48 -24.993 94.184 92.308 1.00 0.00 H Missing atom added: ATOM 31 H5 C S 48 -25.230 97.160 89.691 1.00 0.00 H Missing atom added: ATOM 21 H5'1 U S 49 -17.599 91.851 85.258 1.00 0.00 H Missing atom added: ATOM 22 H5'2 U S 49 -17.698 90.058 84.799 1.00 0.00 H Missing atom added: ATOM 23 H4' U S 49 -16.107 90.538 86.420 1.00 0.00 H Missing atom added: ATOM 24 H3' U S 49 -18.404 89.174 87.880 1.00 0.00 H Missing atom added: ATOM 27 H1' U S 49 -16.427 91.526 89.694 1.00 0.00 H Missing atom added: ATOM 25 H2' U S 49 -18.617 89.424 89.562 1.00 0.00 H Missing atom added: ATOM 26 HO'2 U S 49 -17.908 88.477 89.953 1.00 0.00 H Missing atom added: ATOM 29 H6 U S 49 -19.529 92.502 88.830 1.00 0.00 H Missing atom added: ATOM 30 H3 U S 49 -17.288 93.551 93.292 1.00 0.00 H Missing atom added: ATOM 28 H5 U S 49 -20.695 93.918 90.364 1.00 0.00 H Missing atom added: ATOM 21 H5'1 U S 50 -15.020 84.908 89.828 1.00 0.00 H Missing atom added: ATOM 22 H5'2 U S 50 -14.789 86.293 91.038 1.00 0.00 H Missing atom added: ATOM 23 H4' U S 50 -13.774 85.645 92.005 1.00 0.00 H Missing atom added: ATOM 24 H3' U S 50 -14.530 84.763 92.554 1.00 0.00 H Missing atom added: ATOM 27 H1' U S 50 -14.070 88.438 93.663 1.00 0.00 H Missing atom added: ATOM 25 H2' U S 50 -14.073 85.410 94.632 1.00 0.00 H Missing atom added: ATOM 26 HO'2 U S 50 -12.013 85.892 94.038 1.00 0.00 H Missing atom added: ATOM 29 H6 U S 50 -16.744 86.446 93.718 1.00 0.00 H Missing atom added: ATOM 30 H3 U S 50 -16.783 91.580 94.465 1.00 0.00 H Missing atom added: ATOM 28 H5 U S 50 -18.859 87.485 94.412 1.00 0.00 H Missing atom added: ATOM 21 H5'1 C S 51 -14.241 81.826 94.264 1.00 0.00 H Missing atom added: ATOM 22 H5'2 C S 51 -12.898 80.578 93.989 1.00 0.00 H Missing atom added: ATOM 23 H4' C S 51 -14.224 79.321 93.958 1.00 0.00 H Missing atom added: ATOM 24 H3' C S 51 -11.507 79.600 93.230 1.00 0.00 H Missing atom added: ATOM 27 H1' C S 51 -13.536 77.847 90.755 1.00 0.00 H Missing atom added: ATOM 25 H2' C S 51 -10.837 78.768 91.870 1.00 0.00 H Missing atom added: ATOM 26 HO'2 C S 51 -10.681 77.650 92.697 1.00 0.00 H Missing atom added: ATOM 30 H6 C S 51 -11.887 80.739 90.070 1.00 0.00 H Missing atom added: ATOM 28 H41 C S 51 -12.559 80.448 85.322 1.00 0.00 H Missing atom added: ATOM 29 H42 C S 51 -13.614 79.103 85.223 1.00 0.00 H Missing atom added: ATOM 31 H5 C S 51 -11.408 81.521 87.437 1.00 0.00 H Missing atom added: ATOM 21 H5'1 U S 52 -14.495 76.570 96.498 1.00 0.00 H Missing atom added: ATOM 22 H5'2 U S 52 -14.883 78.025 95.418 1.00 0.00 H Missing atom added: ATOM 23 H4' U S 52 -16.188 77.969 97.290 1.00 0.00 H Missing atom added: ATOM 24 H3' U S 52 -14.097 80.212 97.450 1.00 0.00 H Missing atom added: ATOM 27 H1' U S 52 -15.676 78.396 100.514 1.00 0.00 H Missing atom added: ATOM 25 H2' U S 52 -15.535 81.000 99.456 1.00 0.00 H Missing atom added: ATOM 26 HO'2 U S 52 -17.348 79.803 98.025 1.00 0.00 H Missing atom added: ATOM 29 H6 U S 52 -12.617 79.173 98.784 1.00 0.00 H Missing atom added: ATOM 30 H3 U S 52 -13.054 80.381 103.811 1.00 0.00 H Missing atom added: ATOM 28 H5 U S 52 -10.632 80.235 99.933 1.00 0.00 H Missing atom added: ATOM 24 H5'1 G S 53 -13.331 82.264 97.264 1.00 0.00 H Missing atom added: ATOM 25 H5'2 G S 53 -14.157 82.870 98.808 1.00 0.00 H Missing atom added: ATOM 26 H4' G S 53 -12.608 83.606 99.324 1.00 0.00 H Missing atom added: ATOM 27 H3' G S 53 -14.859 82.806 100.252 1.00 0.00 H Missing atom added: ATOM 30 H1' G S 53 -15.613 85.804 100.322 1.00 0.00 H Missing atom added: ATOM 28 H2' G S 53 -15.973 83.112 100.921 1.00 0.00 H Missing atom added: ATOM 29 HO'2 G S 53 -15.466 83.269 102.079 1.00 0.00 H Missing atom added: ATOM 31 H8 G S 53 -15.732 85.570 96.727 1.00 0.00 H Missing atom added: ATOM 34 H1 G S 53 -21.697 86.906 99.788 1.00 0.00 H Missing atom added: ATOM 32 H21 G S 53 -19.820 84.489 102.028 1.00 0.00 H Missing atom added: ATOM 33 H22 G S 53 -21.322 84.759 101.341 1.00 0.00 H Missing atom added: ATOM 21 H5'1 U S 54 -11.527 82.870 103.599 1.00 0.00 H Missing atom added: ATOM 22 H5'2 U S 54 -12.317 83.745 105.029 1.00 0.00 H Missing atom added: ATOM 23 H4' U S 54 -11.331 83.037 106.148 1.00 0.00 H Missing atom added: ATOM 24 H3' U S 54 -13.477 82.943 106.320 1.00 0.00 H Missing atom added: ATOM 27 H1' U S 54 -11.830 85.939 108.130 1.00 0.00 H Missing atom added: ATOM 25 H2' U S 54 -13.347 83.418 108.695 1.00 0.00 H Missing atom added: ATOM 26 HO'2 U S 54 -10.990 82.772 108.532 1.00 0.00 H Missing atom added: ATOM 29 H6 U S 54 -14.472 85.767 105.944 1.00 0.00 H Missing atom added: ATOM 30 H3 U S 54 -14.608 88.614 110.278 1.00 0.00 H Missing atom added: ATOM 28 H5 U S 54 -16.139 87.408 106.133 1.00 0.00 H Missing atom added: ATOM 23 H5'1 A S 55 -15.762 81.621 105.741 1.00 0.00 H Missing atom added: ATOM 24 H5'2 A S 55 -15.062 82.858 106.931 1.00 0.00 H Missing atom added: ATOM 25 H4' A S 55 -17.405 82.491 107.003 1.00 0.00 H Missing atom added: ATOM 26 H3' A S 55 -17.963 81.094 105.570 1.00 0.00 H Missing atom added: ATOM 29 H1' A S 55 -19.235 82.839 108.948 1.00 0.00 H Missing atom added: ATOM 27 H2' A S 55 -20.060 80.888 106.931 1.00 0.00 H Missing atom added: ATOM 28 HO'2 A S 55 -18.425 79.656 108.403 1.00 0.00 H Missing atom added: ATOM 30 H8 A S 55 -20.782 83.063 105.715 1.00 0.00 H Missing atom added: ATOM 31 H61 A S 55 -23.575 86.585 107.670 1.00 0.00 H Missing atom added: ATOM 32 H62 A S 55 -23.247 87.676 108.943 1.00 0.00 H Missing atom added: ATOM 33 H2 A S 55 -19.545 86.400 111.443 1.00 0.00 H Missing atom added: ATOM 24 H5'1 G S 56 -16.375 76.329 103.960 1.00 0.00 H Missing atom added: ATOM 25 H5'2 G S 56 -18.151 76.612 103.515 1.00 0.00 H Missing atom added: ATOM 26 H4' G S 56 -17.822 74.456 103.795 1.00 0.00 H Missing atom added: ATOM 27 H3' G S 56 -18.210 75.480 106.829 1.00 0.00 H Missing atom added: ATOM 30 H1' G S 56 -16.774 72.347 105.935 1.00 0.00 H Missing atom added: ATOM 28 H2' G S 56 -18.486 73.391 107.607 1.00 0.00 H Missing atom added: ATOM 29 HO'2 G S 56 -19.707 72.889 105.472 1.00 0.00 H Missing atom added: ATOM 31 H8 G S 56 -16.617 72.437 108.534 1.00 0.00 H Missing atom added: ATOM 34 H1 G S 56 -12.843 78.125 108.240 1.00 0.00 H Missing atom added: ATOM 32 H21 G S 56 -13.718 77.237 104.679 1.00 0.00 H Missing atom added: ATOM 33 H22 G S 56 -12.489 77.849 105.635 1.00 0.00 H Missing atom added: ATOM 21 H5'1 C S 57 -21.782 76.626 109.337 1.00 0.00 H Missing atom added: ATOM 22 H5'2 C S 57 -20.487 77.589 108.424 1.00 0.00 H Missing atom added: ATOM 23 H4' C S 57 -21.283 77.594 110.844 1.00 0.00 H Missing atom added: ATOM 24 H3' C S 57 -22.606 78.180 110.535 1.00 0.00 H Missing atom added: ATOM 27 H1' C S 57 -20.227 77.197 113.494 1.00 0.00 H Missing atom added: ATOM 25 H2' C S 57 -22.887 77.902 112.983 1.00 0.00 H Missing atom added: ATOM 26 HO'2 C S 57 -22.889 75.475 112.459 1.00 0.00 H Missing atom added: ATOM 30 H6 C S 57 -20.908 79.583 110.957 1.00 0.00 H Missing atom added: ATOM 28 H41 C S 57 -20.517 83.732 113.034 1.00 0.00 H Missing atom added: ATOM 29 H42 C S 57 -20.436 83.359 114.703 1.00 0.00 H Missing atom added: ATOM 31 H5 C S 57 -20.686 82.247 110.985 1.00 0.00 H Missing atom added: ATOM 21 H5'1 C S 58 -26.167 76.635 111.893 1.00 0.00 H Missing atom added: ATOM 22 H5'2 C S 58 -27.308 77.349 110.619 1.00 0.00 H Missing atom added: ATOM 23 H4' C S 58 -27.970 77.824 112.846 1.00 0.00 H Missing atom added: ATOM 24 H3' C S 58 -26.965 80.123 111.161 1.00 0.00 H Missing atom added: ATOM 27 H1' C S 58 -27.074 79.552 115.317 1.00 0.00 H Missing atom added: ATOM 25 H2' C S 58 -27.350 81.713 112.869 1.00 0.00 H Missing atom added: ATOM 26 HO'2 C S 58 -29.062 81.550 112.984 1.00 0.00 H Missing atom added: ATOM 30 H6 C S 58 -24.386 80.122 114.303 1.00 0.00 H Missing atom added: ATOM 28 H41 C S 58 -22.897 81.477 118.580 1.00 0.00 H Missing atom added: ATOM 29 H42 C S 58 -24.341 81.498 119.499 1.00 0.00 H Missing atom added: ATOM 31 H5 C S 58 -22.534 81.012 116.039 1.00 0.00 H Missing atom added: ATOM 23 H5'1 RA3 S 59 -31.212 80.516 112.865 1.00 0.00 H Missing atom added: ATOM 24 H5'2 RA3 S 59 -32.344 81.226 111.580 1.00 0.00 H Missing atom added: ATOM 25 H4' RA3 S 59 -32.905 82.069 113.626 1.00 0.00 H Missing atom added: ATOM 26 H3' RA3 S 59 -32.018 84.107 111.656 1.00 0.00 H Missing atom added: ATOM 29 H1' RA3 S 59 -30.621 84.950 114.531 1.00 0.00 H Missing atom added: ATOM 27 H2' RA3 S 59 -31.493 85.539 111.952 1.00 0.00 H Missing atom added: ATOM 28 HO'2 RA3 S 59 -32.659 86.105 112.746 1.00 0.00 H Missing atom added: ATOM 30 H8 RA3 S 59 -29.103 84.477 111.398 1.00 0.00 H Missing atom added: ATOM 31 H61 RA3 S 59 -24.790 85.956 112.856 1.00 0.00 H Missing atom added: ATOM 32 H62 RA3 S 59 -23.834 85.660 114.240 1.00 0.00 H Missing atom added: ATOM 33 H2 RA3 S 59 -26.710 83.403 117.507 1.00 0.00 H Missing atom added: ATOM 34 H3T RA3 S 59 -33.345 84.397 114.177 1.00 0.00 H Number of atoms: 2177 Number of residues: 68 Building intraresidual bonds... Building intraresidual angles... Building intraresidual dihedrals... 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: 2347 Number of angles built: 4200 Number of dihedrals built: 6402 Number of impropers built: 462 ----------------------------------------------------------------------------- End of molecule (chain) ----------------------------------------------------------------------------- ----------------------------------------------------------------------------- Building interresidual nonbonded pairs & H-bonds (it may take a while)... Number of electrostatic pairs: 2362029 Number of van der Waals pairs: 152450 Number of H-bonds built: 11 Number of spring restraints: 0 Number of positional restraints: 0 Number of base pairs built: 2 Number of molecules (chains) read: 1 ----------------------------------------------------------------------------- Performing minimization step: 1. Total energy = 31673.0427 kcal/mol (31662.5701 without restraints) Performing minimization step: 2. Total energy = 31564.2630 kcal/mol (31549.6630 without restraints) Performing minimization step: 3. Total energy = 31452.3641 kcal/mol (31437.9159 without restraints) Performing minimization step: 4. Total energy = 31342.5270 kcal/mol (31328.4052 without restraints) Performing minimization step: 5. Total energy = 31235.2336 kcal/mol (31221.3617 without restraints) Performing minimization step: 6. Total energy = 31129.8593 kcal/mol (31116.1853 without restraints) Performing minimization step: 7. Total energy = 31026.1940 kcal/mol (31012.7176 without restraints) Performing minimization step: 8. Total energy = 30924.1983 kcal/mol (30910.9173 without restraints) Performing minimization step: 9. Total energy = 30823.8431 kcal/mol (30810.7538 without restraints) Performing minimization step: 10. Total energy = 30725.0899 kcal/mol (30712.1869 without restraints) Performing minimization step: 11. Total energy = 30627.8884 kcal/mol (30615.1654 without restraints) Performing minimization step: 12. Total energy = 30532.1841 kcal/mol (30519.6345 without restraints) Performing minimization step: 13. Total energy = 30437.9224 kcal/mol (30425.5400 without restraints) Performing minimization step: 14. Total energy = 30345.0525 kcal/mol (30332.8315 without restraints) Performing minimization step: 15. Total energy = 30253.5276 kcal/mol (30241.4627 without restraints) Performing minimization step: 16. Total energy = 30163.3051 kcal/mol (30151.3915 without restraints) Performing minimization step: 17. Total energy = 30074.3447 kcal/mol (30062.5779 without restraints) Performing minimization step: 18. Total energy = 29986.6098 kcal/mol (29974.9855 without restraints) Performing minimization step: 19. Total energy = 29900.0652 kcal/mol (29888.5795 without restraints) Performing minimization step: 20. Total energy = 29814.6779 kcal/mol (29803.3269 without restraints) Performing minimization step: 21. Total energy = 29730.4165 kcal/mol (29719.1966 without restraints) Performing minimization step: 22. Total energy = 29647.2503 kcal/mol (29636.1580 without restraints) Performing minimization step: 23. Total energy = 29565.1506 kcal/mol (29554.1826 without restraints) Performing minimization step: 24. Total energy = 29484.0897 kcal/mol (29473.2427 without restraints) Performing minimization step: 25. Total energy = 29404.0409 kcal/mol (29393.3119 without restraints) Performing minimization step: 26. Total energy = 29324.9785 kcal/mol (29314.3644 without restraints) Performing minimization step: 27. Total energy = 29246.8777 kcal/mol (29236.3757 without restraints) Performing minimization step: 28. Total energy = 29169.7149 kcal/mol (29159.3223 without restraints) Performing minimization step: 29. Total energy = 29093.4669 kcal/mol (29083.1810 without restraints) Performing minimization step: 30. Total energy = 29018.1115 kcal/mol (29007.9298 without restraints) Performing minimization step: 31. Total energy = 28943.6275 kcal/mol (28933.5474 without restraints) Performing minimization step: 32. Total energy = 28869.9943 kcal/mol (28860.0134 without restraints) Performing minimization step: 33. Total energy = 28797.1918 kcal/mol (28787.3079 without restraints) Performing minimization step: 34. Total energy = 28725.2009 kcal/mol (28715.4117 without restraints) Performing minimization step: 35. Total energy = 28654.0028 kcal/mol (28644.3062 without restraints) Performing minimization step: 36. Total energy = 28583.5796 kcal/mol (28573.9734 without restraints) Performing minimization step: 37. Total energy = 28513.9138 kcal/mol (28504.3959 without restraints) Performing minimization step: 38. Total energy = 28444.9884 kcal/mol (28435.5571 without restraints) Performing minimization step: 39. Total energy = 28376.7874 kcal/mol (28367.4407 without restraints) Performing minimization step: 40. Total energy = 28309.2948 kcal/mol (28300.0308 without restraints) Performing minimization step: 41. Total energy = 28242.4952 kcal/mol (28233.3122 without restraints) Performing minimization step: 42. Total energy = 28176.3738 kcal/mol (28167.2700 without restraints) Performing minimization step: 43. Total energy = 28110.9160 kcal/mol (28101.8896 without restraints) Performing minimization step: 44. Total energy = 28046.1079 kcal/mol (28037.1575 without restraints) Performing minimization step: 45. Total energy = 27981.9360 kcal/mol (27973.0600 without restraints) Performing minimization step: 46. Total energy = 27918.3872 kcal/mol (27909.5840 without restraints) Performing minimization step: 47. Total energy = 27855.4487 kcal/mol (27846.7168 without restraints) Performing minimization step: 48. Total energy = 27793.1077 kcal/mol (27784.4457 without restraints) Performing minimization step: 49. Total energy = 27731.3524 kcal/mol (27722.7589 without restraints) Performing minimization step: 50. Total energy = 27670.1710 kcal/mol (27661.6446 without restraints) Performing minimization step: 51. Total energy = 27609.5521 kcal/mol (27601.0915 without restraints) Performing minimization step: 52. Total energy = 27549.4847 kcal/mol (27541.0885 without restraints) Performing minimization step: 53. Killed /home/ubuntu/rna-tools//opt/qrnas/ Save to temp_for_minimization_refx.pdb Traceback (most recent call last): File "/home/ubuntu/miniconda3/bin/rna_refinement.py", line 7, in exec(compile(f.read(), __file__, 'exec')) File "/home/ubuntu/rna-tools/rna_tools/tools/rna_refinement/rna_refinement.py", line 181, in q.run(args.fn, output_file, steps=args.steps, interactive=args.interactive, verbose=args.verbose) File "/home/ubuntu/rna-tools/rna_tools/tools/rna_refinement/rna_refinement.py", line 156, in run copyfile(qrnas_outputfile, outputfile) File "/home/ubuntu/miniconda3/lib/python3.8/shutil.py", line 264, in copyfile with open(src, 'rb') as fsrc, open(dst, 'wb') as fdst: FileNotFoundError: [Errno 2] No such file or directory: '/home/ubuntu/rna-tools/rna_tools/tools/webserver-engine/media/jobs/8ebe743d/tmp/temp_for_minimization_refx/temp_for_minimization_refx.pdb' DONE!