============================================================================= Reading config file: /home/ubuntu/rna-tools/rna_tools/tools/webserver-engine/media/jobs/2d335455/tmp/BKL10Csep8M-d00ec2c2_sim_minE_TOTAL-000001_AA_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/2d335455/tmp/BKL10Csep8M-d00ec2c2_sim_minE_TOTAL-000001_AA_refx/BKL10Csep8M-d00ec2c2_sim_minE_TOTAL-000001_AA.pdb ============================================================================= Atom's 895 C4 residue renamed to RG3 Atom's 894 N3 residue renamed to RG3 Atom's 893 N2 residue renamed to RG3 Atom's 892 C2 residue renamed to RG3 Atom's 891 N1 residue renamed to RG3 Atom's 890 O6 residue renamed to RG3 Atom's 889 C6 residue renamed to RG3 Atom's 888 C5 residue renamed to RG3 Atom's 887 N7 residue renamed to RG3 Atom's 886 C8 residue renamed to RG3 Atom's 885 N9 residue renamed to RG3 Atom's 884 C1' residue renamed to RG3 Atom's 883 O2' residue renamed to RG3 Atom's 882 C2' residue renamed to RG3 Atom's 881 O3' residue renamed to RG3 Atom's 880 C3' residue renamed to RG3 Atom's 879 O4' residue renamed to RG3 Atom's 878 C4' residue renamed to RG3 Atom's 877 C5' residue renamed to RG3 Atom's 876 O5' residue renamed to RG3 Atom's 875 OP2 residue renamed to RG3 Atom's 874 OP1 residue renamed to RG3 Atom's 873 P residue renamed to RG3 Missing atom added: ATOM 21 H5'1 C A 1 7.486 -15.866 -5.617 1.00 0.00 H Missing atom added: ATOM 22 H5'2 C A 1 6.910 -14.158 -5.184 1.00 0.00 H Missing atom added: ATOM 23 H4' C A 1 7.221 -15.386 -7.406 1.00 0.00 H Missing atom added: ATOM 24 H3' C A 1 4.429 -16.343 -6.616 1.00 0.00 H Missing atom added: ATOM 27 H1' C A 1 7.071 -18.690 -8.134 1.00 0.00 H Missing atom added: ATOM 25 H2' C A 1 4.517 -17.727 -8.636 1.00 0.00 H Missing atom added: ATOM 26 HO'2 C A 1 6.193 -15.915 -9.429 1.00 0.00 H Missing atom added: ATOM 30 H6 C A 1 5.905 -18.166 -5.059 1.00 0.00 H Missing atom added: ATOM 28 H41 C A 1 3.706 -22.179 -3.871 1.00 0.00 H Missing atom added: ATOM 29 H42 C A 1 3.622 -23.003 -5.369 1.00 0.00 H Missing atom added: ATOM 31 H5 C A 1 4.707 -19.825 -3.303 1.00 0.00 H Missing atom added: ATOM 24 H5'1 G A 2 4.956 -15.468 -10.037 1.00 0.00 H Missing atom added: ATOM 25 H5'2 G A 2 3.331 -15.091 -10.842 1.00 0.00 H Missing atom added: ATOM 26 H4' G A 2 3.984 -16.507 -12.152 1.00 0.00 H Missing atom added: ATOM 27 H3' G A 2 1.398 -16.770 -10.493 1.00 0.00 H Missing atom added: ATOM 30 H1' G A 2 3.161 -19.837 -11.702 1.00 0.00 H Missing atom added: ATOM 28 H2' G A 2 0.747 -18.605 -11.859 1.00 0.00 H Missing atom added: ATOM 29 HO'2 G A 2 2.300 -17.533 -13.621 1.00 0.00 H Missing atom added: ATOM 31 H8 G A 2 2.611 -17.969 -8.473 1.00 0.00 H Missing atom added: ATOM 34 H1 G A 2 -0.555 -24.055 -8.736 1.00 0.00 H Missing atom added: ATOM 32 H21 G A 2 0.627 -23.466 -12.133 1.00 0.00 H Missing atom added: ATOM 33 H22 G A 2 -0.497 -24.159 -11.104 1.00 0.00 H Missing atom added: ATOM 21 H5'1 U A 3 0.193 -16.155 -14.757 1.00 0.00 H Missing atom added: ATOM 22 H5'2 U A 3 -1.528 -16.452 -14.138 1.00 0.00 H Missing atom added: ATOM 23 H4' U A 3 -1.359 -18.066 -15.391 1.00 0.00 H Missing atom added: ATOM 24 H3' U A 3 -2.917 -17.763 -13.443 1.00 0.00 H Missing atom added: ATOM 27 H1' U A 3 -0.975 -21.109 -13.485 1.00 0.00 H Missing atom added: ATOM 25 H2' U A 3 -3.508 -20.155 -13.905 1.00 0.00 H Missing atom added: ATOM 26 HO'2 U A 3 -2.229 -19.655 -16.137 1.00 0.00 H Missing atom added: ATOM 29 H6 U A 3 -0.900 -18.481 -11.396 1.00 0.00 H Missing atom added: ATOM 30 H3 U A 3 -3.666 -22.541 -9.697 1.00 0.00 H Missing atom added: ATOM 28 H5 U A 3 -1.556 -18.520 -9.014 1.00 0.00 H Missing atom added: ATOM 21 H5'1 C A 4 -4.863 -19.924 -16.241 1.00 0.00 H Missing atom added: ATOM 22 H5'2 C A 4 -6.150 -18.875 -17.065 1.00 0.00 H Missing atom added: ATOM 23 H4' C A 4 -6.537 -21.227 -16.452 1.00 0.00 H Missing atom added: ATOM 24 H3' C A 4 -7.898 -19.579 -14.301 1.00 0.00 H Missing atom added: ATOM 27 H1' C A 4 -6.081 -22.975 -13.619 1.00 0.00 H Missing atom added: ATOM 25 H2' C A 4 -8.631 -21.861 -13.483 1.00 0.00 H Missing atom added: ATOM 26 HO'2 C A 4 -8.224 -22.485 -16.006 1.00 0.00 H Missing atom added: ATOM 30 H6 C A 4 -5.188 -19.814 -12.904 1.00 0.00 H Missing atom added: ATOM 28 H41 C A 4 -5.470 -19.319 -8.211 1.00 0.00 H Missing atom added: ATOM 29 H42 C A 4 -6.374 -20.699 -7.756 1.00 0.00 H Missing atom added: ATOM 31 H5 C A 4 -4.711 -18.519 -10.589 1.00 0.00 H Missing atom added: ATOM 24 H5'1 G A 5 -10.732 -22.362 -15.518 1.00 0.00 H Missing atom added: ATOM 25 H5'2 G A 5 -12.409 -21.587 -15.661 1.00 0.00 H Missing atom added: ATOM 26 H4' G A 5 -12.454 -23.566 -14.487 1.00 0.00 H Missing atom added: ATOM 27 H3' G A 5 -13.047 -21.162 -12.763 1.00 0.00 H Missing atom added: ATOM 30 H1' G A 5 -11.353 -24.286 -11.369 1.00 0.00 H Missing atom added: ATOM 28 H2' G A 5 -13.609 -23.024 -11.090 1.00 0.00 H Missing atom added: ATOM 29 HO'2 G A 5 -13.667 -24.492 -13.393 1.00 0.00 H Missing atom added: ATOM 31 H8 G A 5 -10.187 -20.950 -12.106 1.00 0.00 H Missing atom added: ATOM 34 H1 G A 5 -11.032 -21.867 -5.354 1.00 0.00 H Missing atom added: ATOM 32 H21 G A 5 -12.818 -24.640 -6.907 1.00 0.00 H Missing atom added: ATOM 33 H22 G A 5 -12.655 -23.578 -5.625 1.00 0.00 H Missing atom added: ATOM 21 H5'1 C A 6 -16.010 -23.362 -11.877 1.00 0.00 H Missing atom added: ATOM 22 H5'2 C A 6 -17.574 -22.826 -12.714 1.00 0.00 H Missing atom added: ATOM 23 H4' C A 6 -17.749 -23.825 -10.527 1.00 0.00 H Missing atom added: ATOM 24 H3' C A 6 -17.490 -20.670 -10.212 1.00 0.00 H Missing atom added: ATOM 27 H1' C A 6 -16.437 -23.176 -7.563 1.00 0.00 H Missing atom added: ATOM 25 H2' C A 6 -18.004 -20.913 -7.893 1.00 0.00 H Missing atom added: ATOM 26 HO'2 C A 6 -19.438 -22.853 -8.567 1.00 0.00 H Missing atom added: ATOM 30 H6 C A 6 -14.925 -21.306 -10.061 1.00 0.00 H Missing atom added: ATOM 28 H41 C A 6 -12.045 -18.291 -7.839 1.00 0.00 H Missing atom added: ATOM 29 H42 C A 6 -12.499 -18.498 -6.201 1.00 0.00 H Missing atom added: ATOM 31 H5 C A 6 -12.992 -19.428 -9.999 1.00 0.00 H Missing atom added: ATOM 21 H5'1 C A 7 -19.414 -17.072 -11.775 1.00 0.00 H Missing atom added: ATOM 22 H5'2 C A 7 -18.261 -17.852 -12.999 1.00 0.00 H Missing atom added: ATOM 23 H4' C A 7 -17.393 -16.435 -13.341 1.00 0.00 H Missing atom added: ATOM 24 H3' C A 7 -16.777 -15.323 -11.745 1.00 0.00 H Missing atom added: ATOM 27 H1' C A 7 -15.986 -16.096 -15.334 1.00 0.00 H Missing atom added: ATOM 25 H2' C A 7 -14.903 -14.873 -13.165 1.00 0.00 H Missing atom added: ATOM 26 HO'2 C A 7 -14.413 -17.391 -12.967 1.00 0.00 H Missing atom added: ATOM 30 H6 C A 7 -18.834 -15.334 -13.981 1.00 0.00 H Missing atom added: ATOM 28 H41 C A 7 -19.964 -11.133 -15.825 1.00 0.00 H Missing atom added: ATOM 29 H42 C A 7 -18.487 -10.644 -16.541 1.00 0.00 H Missing atom added: ATOM 31 H5 C A 7 -20.536 -13.302 -14.474 1.00 0.00 H Missing atom added: ATOM 21 H5'1 C A 8 -12.525 -15.233 -10.787 1.00 0.00 H Missing atom added: ATOM 22 H5'2 C A 8 -12.500 -14.814 -8.982 1.00 0.00 H Missing atom added: ATOM 23 H4' C A 8 -11.148 -13.555 -10.573 1.00 0.00 H Missing atom added: ATOM 24 H3' C A 8 -13.422 -11.780 -9.767 1.00 0.00 H Missing atom added: ATOM 27 H1' C A 8 -12.300 -11.942 -13.413 1.00 0.00 H Missing atom added: ATOM 25 H2' C A 8 -12.338 -10.120 -11.232 1.00 0.00 H Missing atom added: ATOM 26 HO'2 C A 8 -10.139 -11.414 -10.995 1.00 0.00 H Missing atom added: ATOM 30 H6 C A 8 -14.830 -12.943 -12.097 1.00 0.00 H Missing atom added: ATOM 28 H41 C A 8 -18.228 -10.240 -13.960 1.00 0.00 H Missing atom added: ATOM 29 H42 C A 8 -17.336 -8.926 -14.598 1.00 0.00 H Missing atom added: ATOM 31 H5 C A 8 -17.400 -12.356 -12.658 1.00 0.00 H Missing atom added: ATOM 23 H5'1 A A 9 -10.301 -9.991 -9.027 1.00 0.00 H Missing atom added: ATOM 24 H5'2 A A 9 -10.492 -9.248 -7.340 1.00 0.00 H Missing atom added: ATOM 25 H4' A A 9 -9.697 -7.665 -8.655 1.00 0.00 H Missing atom added: ATOM 26 H3' A A 9 -12.584 -7.284 -7.652 1.00 0.00 H Missing atom added: ATOM 29 H1' A A 9 -11.448 -5.845 -10.965 1.00 0.00 H Missing atom added: ATOM 27 H2' A A 9 -12.602 -5.102 -8.532 1.00 0.00 H Missing atom added: ATOM 28 HO'2 A A 9 -10.097 -5.140 -8.244 1.00 0.00 H Missing atom added: ATOM 30 H8 A A 9 -13.803 -8.634 -9.733 1.00 0.00 H Missing atom added: ATOM 31 H61 A A 9 -17.842 -6.849 -11.783 1.00 0.00 H Missing atom added: ATOM 32 H62 A A 9 -18.163 -5.397 -12.623 1.00 0.00 H Missing atom added: ATOM 33 H2 A A 9 -14.242 -2.740 -13.043 1.00 0.00 H Missing atom added: ATOM 21 H5'1 U A 10 -10.344 -4.312 -6.824 1.00 0.00 H Missing atom added: ATOM 22 H5'2 U A 10 -10.789 -3.331 -5.316 1.00 0.00 H Missing atom added: ATOM 23 H4' U A 10 -10.574 -2.044 -7.228 1.00 0.00 H Missing atom added: ATOM 24 H3' U A 10 -13.356 -2.305 -6.101 1.00 0.00 H Missing atom added: ATOM 27 H1' U A 10 -12.865 -1.902 -9.858 1.00 0.00 H Missing atom added: ATOM 25 H2' U A 10 -14.110 -0.692 -7.689 1.00 0.00 H Missing atom added: ATOM 26 HO'2 U A 10 -11.786 0.192 -7.659 1.00 0.00 H Missing atom added: ATOM 29 H6 U A 10 -13.689 -4.529 -7.849 1.00 0.00 H Missing atom added: ATOM 30 H3 U A 10 -17.640 -2.555 -10.598 1.00 0.00 H Missing atom added: ATOM 28 H5 U A 10 -15.794 -5.822 -7.948 1.00 0.00 H Missing atom added: ATOM 21 H5'1 U A 11 -13.604 1.874 -6.941 1.00 0.00 H Missing atom added: ATOM 22 H5'2 U A 11 -14.138 2.629 -5.335 1.00 0.00 H Missing atom added: ATOM 23 H4' U A 11 -15.324 3.365 -7.180 1.00 0.00 H Missing atom added: ATOM 24 H3' U A 11 -16.974 1.599 -5.362 1.00 0.00 H Missing atom added: ATOM 27 H1' U A 11 -17.606 1.633 -9.095 1.00 0.00 H Missing atom added: ATOM 25 H2' U A 11 -18.888 2.166 -6.745 1.00 0.00 H Missing atom added: ATOM 26 HO'2 U A 11 -17.431 4.238 -7.395 1.00 0.00 H Missing atom added: ATOM 29 H6 U A 11 -16.069 -0.466 -6.734 1.00 0.00 H Missing atom added: ATOM 30 H3 U A 11 -20.711 -1.958 -8.547 1.00 0.00 H Missing atom added: ATOM 28 H5 U A 11 -16.839 -2.757 -6.212 1.00 0.00 H Missing atom added: ATOM 21 H5'1 C A 12 -18.887 5.052 -5.686 1.00 0.00 H Missing atom added: ATOM 22 H5'2 C A 12 -19.488 5.634 -4.032 1.00 0.00 H Missing atom added: ATOM 23 H4' C A 12 -21.075 5.691 -5.864 1.00 0.00 H Missing atom added: ATOM 24 H3' C A 12 -21.730 3.642 -3.794 1.00 0.00 H Missing atom added: ATOM 27 H1' C A 12 -22.515 3.182 -7.616 1.00 0.00 H Missing atom added: ATOM 25 H2' C A 12 -23.853 3.495 -5.300 1.00 0.00 H Missing atom added: ATOM 26 HO'2 C A 12 -22.759 5.921 -5.995 1.00 0.00 H Missing atom added: ATOM 30 H6 C A 12 -20.291 1.991 -5.671 1.00 0.00 H Missing atom added: ATOM 28 H41 C A 12 -21.038 -2.674 -5.668 1.00 0.00 H Missing atom added: ATOM 29 H42 C A 12 -22.593 -2.791 -6.374 1.00 0.00 H Missing atom added: ATOM 31 H5 C A 12 -19.600 -0.555 -5.118 1.00 0.00 H Missing atom added: ATOM 23 H5'1 A A 13 -25.639 6.042 -3.623 1.00 0.00 H Missing atom added: ATOM 24 H5'2 A A 13 -25.722 6.738 -1.907 1.00 0.00 H Missing atom added: ATOM 25 H4' A A 13 -27.596 5.878 -3.435 1.00 0.00 H Missing atom added: ATOM 26 H3' A A 13 -27.382 3.791 -1.531 1.00 0.00 H Missing atom added: ATOM 29 H1' A A 13 -27.465 2.863 -5.281 1.00 0.00 H Missing atom added: ATOM 27 H2' A A 13 -29.017 2.592 -2.952 1.00 0.00 H Missing atom added: ATOM 28 HO'2 A A 13 -29.473 4.990 -3.885 1.00 0.00 H Missing atom added: ATOM 30 H8 A A 13 -24.816 2.715 -3.100 1.00 0.00 H Missing atom added: ATOM 31 H61 A A 13 -24.448 -2.139 -2.541 1.00 0.00 H Missing atom added: ATOM 32 H62 A A 13 -25.461 -3.430 -3.014 1.00 0.00 H Missing atom added: ATOM 33 H2 A A 13 -29.446 -1.844 -5.064 1.00 0.00 H Missing atom added: ATOM 24 H5'1 G A 14 -31.176 3.216 -1.945 1.00 0.00 H Missing atom added: ATOM 25 H5'2 G A 14 -32.270 4.364 -0.987 1.00 0.00 H Missing atom added: ATOM 26 H4' G A 14 -32.894 2.061 -1.775 1.00 0.00 H Missing atom added: ATOM 27 H3' G A 14 -31.121 1.548 0.859 1.00 0.00 H Missing atom added: ATOM 30 H1' G A 14 -31.587 -0.767 -2.243 1.00 0.00 H Missing atom added: ATOM 28 H2' G A 14 -31.818 -0.810 0.578 1.00 0.00 H Missing atom added: ATOM 29 HO'2 G A 14 -34.012 0.213 -0.271 1.00 0.00 H Missing atom added: ATOM 31 H8 G A 14 -28.835 1.327 -1.296 1.00 0.00 H Missing atom added: ATOM 34 H1 G A 14 -27.693 -5.329 -0.061 1.00 0.00 H Missing atom added: ATOM 32 H21 G A 14 -31.294 -5.074 -0.574 1.00 0.00 H Missing atom added: ATOM 33 H22 G A 14 -30.000 -5.842 0.158 1.00 0.00 H Missing atom added: ATOM 23 H5'1 A A 15 -34.339 -0.448 1.539 1.00 0.00 H Missing atom added: ATOM 24 H5'2 A A 15 -34.904 -0.357 3.302 1.00 0.00 H Missing atom added: ATOM 25 H4' A A 15 -35.017 -2.491 2.605 1.00 0.00 H Missing atom added: ATOM 26 H3' A A 15 -32.691 -1.924 4.585 1.00 0.00 H Missing atom added: ATOM 29 H1' A A 15 -32.529 -4.692 1.999 1.00 0.00 H Missing atom added: ATOM 27 H2' A A 15 -32.393 -4.323 4.713 1.00 0.00 H Missing atom added: ATOM 28 HO'2 A A 15 -34.920 -4.328 4.027 1.00 0.00 H Missing atom added: ATOM 30 H8 A A 15 -31.157 -1.334 2.294 1.00 0.00 H Missing atom added: ATOM 31 H61 A A 15 -26.418 -2.437 2.850 1.00 0.00 H Missing atom added: ATOM 32 H62 A A 15 -25.597 -3.921 3.052 1.00 0.00 H Missing atom added: ATOM 33 H2 A A 15 -28.632 -7.579 3.151 1.00 0.00 H Missing atom added: ATOM 24 H5'1 G A 16 -34.627 -5.203 6.150 1.00 0.00 H Missing atom added: ATOM 25 H5'2 G A 16 -34.887 -5.114 7.982 1.00 0.00 H Missing atom added: ATOM 26 H4' G A 16 -34.131 -7.172 7.219 1.00 0.00 H Missing atom added: ATOM 27 H3' G A 16 -31.970 -5.648 8.729 1.00 0.00 H Missing atom added: ATOM 30 H1' G A 16 -31.070 -8.010 5.903 1.00 0.00 H Missing atom added: ATOM 28 H2' G A 16 -30.608 -7.648 8.549 1.00 0.00 H Missing atom added: ATOM 29 HO'2 G A 16 -32.920 -8.821 8.286 1.00 0.00 H Missing atom added: ATOM 31 H8 G A 16 -31.237 -4.259 6.220 1.00 0.00 H Missing atom added: ATOM 34 H1 G A 16 -24.750 -6.505 6.389 1.00 0.00 H Missing atom added: ATOM 32 H21 G A 16 -26.791 -9.498 6.798 1.00 0.00 H Missing atom added: ATOM 33 H22 G A 16 -25.359 -8.686 7.098 1.00 0.00 H Missing atom added: ATOM 24 H5'1 G A 17 -31.641 -9.283 10.267 1.00 0.00 H Missing atom added: ATOM 25 H5'2 G A 17 -31.294 -9.191 12.084 1.00 0.00 H Missing atom added: ATOM 26 H4' G A 17 -29.770 -10.479 10.927 1.00 0.00 H Missing atom added: ATOM 27 H3' G A 17 -28.656 -8.008 12.153 1.00 0.00 H Missing atom added: ATOM 30 H1' G A 17 -27.201 -9.363 8.888 1.00 0.00 H Missing atom added: ATOM 28 H2' G A 17 -26.454 -8.918 11.475 1.00 0.00 H Missing atom added: ATOM 29 HO'2 G A 17 -27.864 -11.171 11.418 1.00 0.00 H Missing atom added: ATOM 31 H8 G A 17 -29.348 -6.658 9.151 1.00 0.00 H Missing atom added: ATOM 34 H1 G A 17 -22.857 -4.436 9.001 1.00 0.00 H Missing atom added: ATOM 32 H21 G A 17 -22.620 -7.948 9.946 1.00 0.00 H Missing atom added: ATOM 33 H22 G A 17 -21.985 -6.401 10.002 1.00 0.00 H Missing atom added: ATOM 21 H5'1 C A 18 -27.278 -10.364 13.184 1.00 0.00 H Missing atom added: ATOM 22 H5'2 C A 18 -26.883 -10.146 14.982 1.00 0.00 H Missing atom added: ATOM 23 H4' C A 18 -25.002 -10.376 14.353 1.00 0.00 H Missing atom added: ATOM 24 H3' C A 18 -26.061 -7.583 15.425 1.00 0.00 H Missing atom added: ATOM 27 H1' C A 18 -22.950 -7.961 13.319 1.00 0.00 H Missing atom added: ATOM 25 H2' C A 18 -23.816 -6.894 15.725 1.00 0.00 H Missing atom added: ATOM 26 HO'2 C A 18 -23.329 -9.318 16.188 1.00 0.00 H Missing atom added: ATOM 30 H6 C A 18 -26.492 -6.942 12.976 1.00 0.00 H Missing atom added: ATOM 28 H41 C A 18 -26.324 -2.448 11.544 1.00 0.00 H Missing atom added: ATOM 29 H42 C A 18 -24.655 -2.090 11.674 1.00 0.00 H Missing atom added: ATOM 31 H5 C A 18 -27.601 -4.688 12.007 1.00 0.00 H Missing atom added: ATOM 21 H5'1 U A 19 -22.804 -7.887 17.677 1.00 0.00 H Missing atom added: ATOM 22 H5'2 U A 19 -23.067 -7.776 19.508 1.00 0.00 H Missing atom added: ATOM 23 H4' U A 19 -21.161 -6.730 18.857 1.00 0.00 H Missing atom added: ATOM 24 H3' U A 19 -23.468 -4.597 19.214 1.00 0.00 H Missing atom added: ATOM 27 H1' U A 19 -20.371 -4.134 17.052 1.00 0.00 H Missing atom added: ATOM 25 H2' U A 19 -21.549 -2.983 19.092 1.00 0.00 H Missing atom added: ATOM 26 HO'2 U A 19 -20.305 -5.101 20.107 1.00 0.00 H Missing atom added: ATOM 29 H6 U A 19 -23.827 -5.051 16.618 1.00 0.00 H Missing atom added: ATOM 30 H3 U A 19 -22.474 -0.258 15.115 1.00 0.00 H Missing atom added: ATOM 28 H5 U A 19 -25.472 -3.730 15.329 1.00 0.00 H Missing atom added: ATOM 21 H5'1 C A 20 -20.659 -3.878 21.186 1.00 0.00 H Missing atom added: ATOM 22 H5'2 C A 20 -20.933 -3.311 22.930 1.00 0.00 H Missing atom added: ATOM 23 H4' C A 20 -19.456 -1.959 21.833 1.00 0.00 H Missing atom added: ATOM 24 H3' C A 20 -22.370 -0.696 21.775 1.00 0.00 H Missing atom added: ATOM 27 H1' C A 20 -19.638 0.145 19.318 1.00 0.00 H Missing atom added: ATOM 25 H2' C A 20 -21.205 1.370 21.074 1.00 0.00 H Missing atom added: ATOM 26 HO'2 C A 20 -19.209 0.429 22.452 1.00 0.00 H Missing atom added: ATOM 30 H6 C A 20 -22.505 -1.914 19.628 1.00 0.00 H Missing atom added: ATOM 28 H41 C A 20 -25.754 -0.302 16.594 1.00 0.00 H Missing atom added: ATOM 29 H42 C A 20 -25.052 1.165 16.059 1.00 0.00 H Missing atom added: ATOM 31 H5 C A 20 -24.843 -2.077 18.294 1.00 0.00 H Missing atom added: ATOM 23 H5'1 A A 21 -20.671 2.164 23.212 1.00 0.00 H Missing atom added: ATOM 24 H5'2 A A 21 -20.739 2.411 25.047 1.00 0.00 H Missing atom added: ATOM 25 H4' A A 21 -20.188 4.234 23.452 1.00 0.00 H Missing atom added: ATOM 26 H3' A A 21 -23.234 4.453 23.980 1.00 0.00 H Missing atom added: ATOM 29 H1' A A 21 -21.622 5.281 20.616 1.00 0.00 H Missing atom added: ATOM 27 H2' A A 21 -23.115 6.470 22.567 1.00 0.00 H Missing atom added: ATOM 28 HO'2 A A 21 -20.610 6.489 23.349 1.00 0.00 H Missing atom added: ATOM 30 H8 A A 21 -23.403 2.418 21.738 1.00 0.00 H Missing atom added: ATOM 31 H61 A A 21 -27.528 2.873 19.135 1.00 0.00 H Missing atom added: ATOM 32 H62 A A 21 -28.122 4.119 18.129 1.00 0.00 H Missing atom added: ATOM 33 H2 A A 21 -25.195 7.864 18.103 1.00 0.00 H Missing atom added: ATOM 24 H5'1 G A 22 -22.477 8.459 24.324 1.00 0.00 H Missing atom added: ATOM 25 H5'2 G A 22 -22.996 9.135 25.968 1.00 0.00 H Missing atom added: ATOM 26 H4' G A 22 -23.382 10.339 23.853 1.00 0.00 H Missing atom added: ATOM 27 H3' G A 22 -25.979 9.361 24.798 1.00 0.00 H Missing atom added: ATOM 30 H1' G A 22 -25.127 9.225 21.059 1.00 0.00 H Missing atom added: ATOM 28 H2' G A 22 -26.952 10.367 22.817 1.00 0.00 H Missing atom added: ATOM 29 HO'2 G A 22 -24.854 11.830 22.807 1.00 0.00 H Missing atom added: ATOM 31 H8 G A 22 -25.402 6.506 23.575 1.00 0.00 H Missing atom added: ATOM 34 H1 G A 22 -30.481 6.333 18.964 1.00 0.00 H Missing atom added: ATOM 32 H21 G A 22 -29.006 9.647 18.603 1.00 0.00 H Missing atom added: ATOM 33 H22 G A 22 -30.344 8.650 18.476 1.00 0.00 H Missing atom added: ATOM 24 H5'1 G A 23 -26.440 12.414 23.966 1.00 0.00 H Missing atom added: ATOM 25 H5'2 G A 23 -27.243 13.497 25.236 1.00 0.00 H Missing atom added: ATOM 26 H4' G A 23 -28.478 13.429 23.334 1.00 0.00 H Missing atom added: ATOM 27 H3' G A 23 -29.735 11.599 25.545 1.00 0.00 H Missing atom added: ATOM 30 H1' G A 23 -30.184 11.318 21.649 1.00 0.00 H Missing atom added: ATOM 28 H2' G A 23 -31.702 11.524 24.104 1.00 0.00 H Missing atom added: ATOM 29 HO'2 G A 23 -31.111 13.842 23.421 1.00 0.00 H Missing atom added: ATOM 31 H8 G A 23 -28.574 9.233 24.181 1.00 0.00 H Missing atom added: ATOM 34 H1 G A 23 -33.933 6.351 21.002 1.00 0.00 H Missing atom added: ATOM 32 H21 G A 23 -34.118 9.886 20.133 1.00 0.00 H Missing atom added: ATOM 33 H22 G A 23 -34.901 8.433 20.410 1.00 0.00 H Missing atom added: ATOM 21 H5'1 U A 24 -32.827 14.790 24.343 1.00 0.00 H Missing atom added: ATOM 22 H5'2 U A 24 -34.012 14.705 25.765 1.00 0.00 H Missing atom added: ATOM 23 H4' U A 24 -35.213 14.536 23.918 1.00 0.00 H Missing atom added: ATOM 24 H3' U A 24 -35.446 12.576 26.025 1.00 0.00 H Missing atom added: ATOM 27 H1' U A 24 -35.732 11.252 22.567 1.00 0.00 H Missing atom added: ATOM 25 H2' U A 24 -37.293 11.624 24.711 1.00 0.00 H Missing atom added: ATOM 26 HO'2 U A 24 -37.137 13.969 23.419 1.00 0.00 H Missing atom added: ATOM 29 H6 U A 24 -33.239 11.275 24.789 1.00 0.00 H Missing atom added: ATOM 30 H3 U A 24 -35.870 6.809 24.346 1.00 0.00 H Missing atom added: ATOM 28 H5 U A 24 -32.238 9.235 25.767 1.00 0.00 H Missing atom added: ATOM 21 H5'1 U A 25 -39.681 12.745 28.343 1.00 0.00 H Missing atom added: ATOM 22 H5'2 U A 25 -39.847 12.207 26.578 1.00 0.00 H Missing atom added: ATOM 23 H4' U A 25 -41.050 11.559 26.493 1.00 0.00 H Missing atom added: ATOM 24 H3' U A 25 -41.024 10.485 27.193 1.00 0.00 H Missing atom added: ATOM 27 H1' U A 25 -39.479 10.405 23.764 1.00 0.00 H Missing atom added: ATOM 25 H2' U A 25 -41.512 9.266 25.219 1.00 0.00 H Missing atom added: ATOM 26 HO'2 U A 25 -42.421 11.419 24.283 1.00 0.00 H Missing atom added: ATOM 29 H6 U A 25 -38.079 10.579 26.735 1.00 0.00 H Missing atom added: ATOM 30 H3 U A 25 -37.883 5.938 24.452 1.00 0.00 H Missing atom added: ATOM 28 H5 U A 25 -36.604 8.887 27.732 1.00 0.00 H Missing atom added: ATOM 21 H5'1 C A 26 -44.386 9.227 24.541 1.00 0.00 H Missing atom added: ATOM 22 H5'2 C A 26 -45.633 9.106 25.907 1.00 0.00 H Missing atom added: ATOM 23 H4' C A 26 -44.928 7.782 23.728 1.00 0.00 H Missing atom added: ATOM 24 H3' C A 26 -45.325 6.185 24.559 1.00 0.00 H Missing atom added: ATOM 27 H1' C A 26 -41.613 6.261 23.651 1.00 0.00 H Missing atom added: ATOM 25 H2' C A 26 -44.017 4.968 22.957 1.00 0.00 H Missing atom added: ATOM 26 HO'2 C A 26 -44.046 7.147 21.678 1.00 0.00 H Missing atom added: ATOM 30 H6 C A 26 -41.261 6.946 24.378 1.00 0.00 H Missing atom added: ATOM 28 H41 C A 26 -38.319 4.311 26.969 1.00 0.00 H Missing atom added: ATOM 29 H42 C A 26 -39.254 2.905 27.257 1.00 0.00 H Missing atom added: ATOM 31 H5 C A 26 -38.940 6.502 25.673 1.00 0.00 H Missing atom added: ATOM 24 H5'1 G A 27 -43.980 3.816 20.754 1.00 0.00 H Missing atom added: ATOM 25 H5'2 G A 27 -45.528 2.805 20.645 1.00 0.00 H Missing atom added: ATOM 26 H4' G A 27 -43.076 3.053 20.163 1.00 0.00 H Missing atom added: ATOM 27 H3' G A 27 -42.707 1.931 20.014 1.00 0.00 H Missing atom added: ATOM 30 H1' G A 27 -40.677 4.949 21.466 1.00 0.00 H Missing atom added: ATOM 28 H2' G A 27 -40.596 2.541 19.600 1.00 0.00 H Missing atom added: ATOM 29 HO'2 G A 27 -41.353 4.231 18.361 1.00 0.00 H Missing atom added: ATOM 31 H8 G A 27 -40.880 2.908 23.616 1.00 0.00 H Missing atom added: ATOM 34 H1 G A 27 -36.237 7.896 22.839 1.00 0.00 H Missing atom added: ATOM 32 H21 G A 27 -38.073 7.835 19.691 1.00 0.00 H Missing atom added: ATOM 33 H22 G A 27 -36.657 8.161 20.519 1.00 0.00 H Missing atom added: ATOM 21 H5'1 C A 28 -40.331 3.277 15.432 1.00 0.00 H Missing atom added: ATOM 22 H5'2 C A 28 -39.510 3.377 17.092 1.00 0.00 H Missing atom added: ATOM 23 H4' C A 28 -38.501 4.880 16.147 1.00 0.00 H Missing atom added: ATOM 24 H3' C A 28 -37.469 4.292 16.016 1.00 0.00 H Missing atom added: ATOM 27 H1' C A 28 -38.239 6.918 18.786 1.00 0.00 H Missing atom added: ATOM 25 H2' C A 28 -36.341 6.294 16.697 1.00 0.00 H Missing atom added: ATOM 26 HO'2 C A 28 -38.275 7.485 15.640 1.00 0.00 H Missing atom added: ATOM 30 H6 C A 28 -38.268 3.611 19.088 1.00 0.00 H Missing atom added: ATOM 28 H41 C A 28 -34.832 2.617 22.182 1.00 0.00 H Missing atom added: ATOM 29 H42 C A 28 -33.960 4.090 22.238 1.00 0.00 H Missing atom added: ATOM 31 H5 C A 28 -36.966 1.982 20.798 1.00 0.00 H Missing atom added: ATOM 21 H5'1 C A 29 -37.202 8.019 14.934 1.00 0.00 H Missing atom added: ATOM 22 H5'2 C A 29 -36.283 8.289 13.346 1.00 0.00 H Missing atom added: ATOM 23 H4' C A 29 -35.553 9.763 14.883 1.00 0.00 H Missing atom added: ATOM 24 H3' C A 29 -33.580 7.382 14.356 1.00 0.00 H Missing atom added: ATOM 27 H1' C A 29 -33.647 9.400 17.595 1.00 0.00 H Missing atom added: ATOM 25 H2' C A 29 -31.897 8.571 15.559 1.00 0.00 H Missing atom added: ATOM 26 HO'2 C A 29 -32.957 10.661 14.746 1.00 0.00 H Missing atom added: ATOM 30 H6 C A 29 -35.012 6.331 16.744 1.00 0.00 H Missing atom added: ATOM 28 H41 C A 29 -32.682 3.213 19.428 1.00 0.00 H Missing atom added: ATOM 29 H42 C A 29 -31.391 4.157 20.039 1.00 0.00 H Missing atom added: ATOM 31 H5 C A 29 -34.651 3.893 17.836 1.00 0.00 H Missing atom added: ATOM 21 H5'1 U A 30 -31.971 10.697 13.271 1.00 0.00 H Missing atom added: ATOM 22 H5'2 U A 30 -30.740 10.538 11.895 1.00 0.00 H Missing atom added: ATOM 23 H4' U A 30 -29.812 11.748 13.550 1.00 0.00 H Missing atom added: ATOM 24 H3' U A 30 -28.661 8.936 13.087 1.00 0.00 H Missing atom added: ATOM 27 H1' U A 30 -28.586 10.567 16.517 1.00 0.00 H Missing atom added: ATOM 25 H2' U A 30 -26.873 9.584 14.600 1.00 0.00 H Missing atom added: ATOM 26 HO'2 U A 30 -27.609 12.020 13.905 1.00 0.00 H Missing atom added: ATOM 29 H6 U A 30 -30.613 8.243 14.977 1.00 0.00 H Missing atom added: ATOM 30 H3 U A 30 -27.139 6.230 18.284 1.00 0.00 H Missing atom added: ATOM 28 H5 U A 30 -30.901 5.888 15.673 1.00 0.00 H Missing atom added: ATOM 24 H5'1 G A 31 -25.363 11.143 12.728 1.00 0.00 H Missing atom added: ATOM 25 H5'2 G A 31 -24.573 11.032 11.056 1.00 0.00 H Missing atom added: ATOM 26 H4' G A 31 -23.247 11.238 13.105 1.00 0.00 H Missing atom added: ATOM 27 H3' G A 31 -23.160 8.351 12.210 1.00 0.00 H Missing atom added: ATOM 30 H1' G A 31 -23.314 9.204 15.914 1.00 0.00 H Missing atom added: ATOM 28 H2' G A 31 -21.700 7.890 14.049 1.00 0.00 H Missing atom added: ATOM 29 HO'2 G A 31 -21.143 10.389 13.886 1.00 0.00 H Missing atom added: ATOM 31 H8 G A 31 -26.092 8.177 13.997 1.00 0.00 H Missing atom added: ATOM 34 H1 G A 31 -23.380 2.766 17.232 1.00 0.00 H Missing atom added: ATOM 32 H21 G A 31 -20.743 5.283 17.252 1.00 0.00 H Missing atom added: ATOM 33 H22 G A 31 -21.186 3.670 17.259 1.00 0.00 H Missing atom added: ATOM 23 H5'1 A A 32 -19.923 9.411 12.784 1.00 0.00 H Missing atom added: ATOM 24 H5'2 A A 32 -18.829 8.406 11.676 1.00 0.00 H Missing atom added: ATOM 25 H4' A A 32 -18.090 7.772 13.445 1.00 0.00 H Missing atom added: ATOM 26 H3' A A 32 -19.350 5.907 11.355 1.00 0.00 H Missing atom added: ATOM 29 H1' A A 32 -19.320 4.941 14.988 1.00 0.00 H Missing atom added: ATOM 27 H2' A A 32 -18.434 4.053 12.574 1.00 0.00 H Missing atom added: ATOM 28 HO'2 A A 32 -16.771 5.891 13.445 1.00 0.00 H Missing atom added: ATOM 30 H8 A A 32 -21.904 6.097 12.474 1.00 0.00 H Missing atom added: ATOM 31 H61 A A 32 -24.651 2.042 12.428 1.00 0.00 H Missing atom added: ATOM 32 H62 A A 32 -24.465 0.517 13.173 1.00 0.00 H Missing atom added: ATOM 33 H2 A A 32 -20.425 0.290 15.668 1.00 0.00 H Missing atom added: ATOM 24 H5'1 G A 33 -15.714 3.646 9.537 1.00 0.00 H Missing atom added: ATOM 25 H5'2 G A 33 -17.434 3.072 9.154 1.00 0.00 H Missing atom added: ATOM 26 H4' G A 33 -16.053 1.459 10.165 1.00 0.00 H Missing atom added: ATOM 27 H3' G A 33 -17.325 0.731 9.507 1.00 0.00 H Missing atom added: ATOM 30 H1' G A 33 -17.541 0.635 13.217 1.00 0.00 H Missing atom added: ATOM 28 H2' G A 33 -17.150 -0.995 11.093 1.00 0.00 H Missing atom added: ATOM 29 HO'2 G A 33 -14.899 0.096 11.690 1.00 0.00 H Missing atom added: ATOM 31 H8 G A 33 -19.480 2.667 10.882 1.00 0.00 H Missing atom added: ATOM 34 H1 G A 33 -22.921 -3.097 12.326 1.00 0.00 H Missing atom added: ATOM 32 H21 G A 33 -19.515 -3.730 13.460 1.00 0.00 H Missing atom added: ATOM 33 H22 G A 33 -20.962 -4.322 12.863 1.00 0.00 H Missing atom added: ATOM 21 H5'1 C A 34 -15.058 -0.737 10.805 1.00 0.00 H Missing atom added: ATOM 22 H5'2 C A 34 -15.004 -2.337 9.870 1.00 0.00 H Missing atom added: ATOM 23 H4' C A 34 -15.047 -3.360 11.036 1.00 0.00 H Missing atom added: ATOM 24 H3' C A 34 -15.585 -3.193 8.024 1.00 0.00 H Missing atom added: ATOM 27 H1' C A 34 -17.846 -5.214 9.771 1.00 0.00 H Missing atom added: ATOM 25 H2' C A 34 -16.549 -4.184 7.208 1.00 0.00 H Missing atom added: ATOM 26 HO'2 C A 34 -15.783 -5.331 7.190 1.00 0.00 H Missing atom added: ATOM 30 H6 C A 34 -18.135 -1.826 8.573 1.00 0.00 H Missing atom added: ATOM 28 H41 C A 34 -22.565 -0.964 7.588 1.00 0.00 H Missing atom added: ATOM 29 H42 C A 34 -23.319 -2.424 8.072 1.00 0.00 H Missing atom added: ATOM 31 H5 C A 34 -20.082 -0.183 7.876 1.00 0.00 H Missing atom added: ATOM 23 H5'1 A A 35 -13.094 -7.737 8.441 1.00 0.00 H Missing atom added: ATOM 24 H5'2 A A 35 -14.070 -7.591 10.010 1.00 0.00 H Missing atom added: ATOM 25 H4' A A 35 -13.395 -9.690 9.747 1.00 0.00 H Missing atom added: ATOM 26 H3' A A 35 -13.466 -10.161 8.408 1.00 0.00 H Missing atom added: ATOM 29 H1' A A 35 -13.590 -11.354 11.933 1.00 0.00 H Missing atom added: ATOM 27 H2' A A 35 -13.171 -12.234 9.340 1.00 0.00 H Missing atom added: ATOM 28 HO'2 A A 35 -11.006 -11.351 10.218 1.00 0.00 H Missing atom added: ATOM 30 H8 A A 35 -15.833 -8.729 9.767 1.00 0.00 H Missing atom added: ATOM 31 H61 A A 35 -19.950 -11.257 8.955 1.00 0.00 H Missing atom added: ATOM 32 H62 A A 35 -20.401 -12.866 9.309 1.00 0.00 H Missing atom added: ATOM 33 H2 A A 35 -16.848 -15.245 11.384 1.00 0.00 H Missing atom added: ATOM 23 H5'1 A A 36 -9.888 -12.647 7.248 1.00 0.00 H Missing atom added: ATOM 24 H5'2 A A 36 -9.679 -12.475 5.414 1.00 0.00 H Missing atom added: ATOM 25 H4' A A 36 -9.815 -14.655 6.562 1.00 0.00 H Missing atom added: ATOM 26 H3' A A 36 -12.268 -14.265 5.050 1.00 0.00 H Missing atom added: ATOM 29 H1' A A 36 -12.641 -15.713 8.488 1.00 0.00 H Missing atom added: ATOM 27 H2' A A 36 -13.170 -16.260 5.838 1.00 0.00 H Missing atom added: ATOM 28 HO'2 A A 36 -10.788 -16.926 6.323 1.00 0.00 H Missing atom added: ATOM 30 H8 A A 36 -13.398 -12.215 6.954 1.00 0.00 H Missing atom added: ATOM 31 H61 A A 36 -18.279 -12.438 6.669 1.00 0.00 H Missing atom added: ATOM 32 H62 A A 36 -19.394 -13.697 6.967 1.00 0.00 H Missing atom added: ATOM 33 H2 A A 36 -17.180 -17.697 8.270 1.00 0.00 H Missing atom added: ATOM 24 H5'1 G A 37 -13.621 -16.797 3.264 1.00 0.00 H Missing atom added: ATOM 25 H5'2 G A 37 -12.881 -17.043 4.944 1.00 0.00 H Missing atom added: ATOM 26 H4' G A 37 -14.512 -18.611 4.048 1.00 0.00 H Missing atom added: ATOM 27 H3' G A 37 -11.891 -19.300 2.270 1.00 0.00 H Missing atom added: ATOM 30 H1' G A 37 -15.429 -19.789 1.270 1.00 0.00 H Missing atom added: ATOM 28 H2' G A 37 -12.755 -20.832 1.099 1.00 0.00 H Missing atom added: ATOM 29 HO'2 G A 37 -13.681 -21.816 2.846 1.00 0.00 H Missing atom added: ATOM 31 H8 G A 37 -13.032 -16.898 0.975 1.00 0.00 H Missing atom added: ATOM 34 H1 G A 37 -14.584 -20.005 -4.934 1.00 0.00 H Missing atom added: ATOM 32 H21 G A 37 -15.966 -22.168 -2.346 1.00 0.00 H Missing atom added: ATOM 33 H22 G A 37 -15.294 -22.002 -3.870 1.00 0.00 H Missing atom added: ATOM 21 H5'1 C A 38 -13.283 -23.181 2.942 1.00 0.00 H Missing atom added: ATOM 22 H5'2 C A 38 -11.827 -24.324 2.847 1.00 0.00 H Missing atom added: ATOM 23 H4' C A 38 -13.343 -25.054 1.382 1.00 0.00 H Missing atom added: ATOM 24 H3' C A 38 -10.711 -24.017 0.275 1.00 0.00 H Missing atom added: ATOM 27 H1' C A 38 -13.947 -23.717 -1.715 1.00 0.00 H Missing atom added: ATOM 25 H2' C A 38 -11.492 -25.059 -1.853 1.00 0.00 H Missing atom added: ATOM 26 HO'2 C A 38 -13.008 -26.530 -0.297 1.00 0.00 H Missing atom added: ATOM 30 H6 C A 38 -12.007 -21.554 -0.019 1.00 0.00 H Missing atom added: ATOM 28 H41 C A 38 -10.047 -18.694 -3.233 1.00 0.00 H Missing atom added: ATOM 29 H42 C A 38 -10.349 -19.532 -4.695 1.00 0.00 H Missing atom added: ATOM 31 H5 C A 38 -10.677 -19.332 -0.772 1.00 0.00 H Missing atom added: ATOM 24 H5'1 G A 39 -11.156 -27.481 -0.926 1.00 0.00 H Missing atom added: ATOM 25 H5'2 G A 39 -9.497 -28.299 -0.832 1.00 0.00 H Missing atom added: ATOM 26 H4' G A 39 -10.762 -28.575 -2.810 1.00 0.00 H Missing atom added: ATOM 27 H3' G A 39 -8.283 -27.425 -3.331 1.00 0.00 H Missing atom added: ATOM 30 H1' G A 39 -11.364 -26.065 -5.222 1.00 0.00 H Missing atom added: ATOM 28 H2' G A 39 -8.973 -27.418 -5.700 1.00 0.00 H Missing atom added: ATOM 29 HO'2 G A 39 -10.693 -29.174 -4.873 1.00 0.00 H Missing atom added: ATOM 31 H8 G A 39 -9.618 -24.303 -2.674 1.00 0.00 H Missing atom added: ATOM 34 H1 G A 39 -7.555 -22.171 -8.864 1.00 0.00 H Missing atom added: ATOM 32 H21 G A 39 -9.150 -25.393 -9.469 1.00 0.00 H Missing atom added: ATOM 33 H22 G A 39 -8.014 -24.249 -9.915 1.00 0.00 H Missing atom added: ATOM 23 H5'1 A A 40 -8.930 -29.967 -5.671 1.00 0.00 H Missing atom added: ATOM 24 H5'2 A A 40 -7.510 -31.149 -5.820 1.00 0.00 H Missing atom added: ATOM 25 H4' A A 40 -8.150 -30.522 -7.882 1.00 0.00 H Missing atom added: ATOM 26 H3' A A 40 -5.460 -29.314 -6.889 1.00 0.00 H Missing atom added: ATOM 29 H1' A A 40 -7.555 -27.476 -9.381 1.00 0.00 H Missing atom added: ATOM 27 H2' A A 40 -5.049 -28.474 -9.067 1.00 0.00 H Missing atom added: ATOM 28 HO'2 A A 40 -6.380 -30.424 -9.877 1.00 0.00 H Missing atom added: ATOM 30 H8 A A 40 -7.117 -27.073 -5.726 1.00 0.00 H Missing atom added: ATOM 31 H61 A A 40 -4.328 -23.049 -5.707 1.00 0.00 H Missing atom added: ATOM 32 H62 A A 40 -3.576 -22.162 -6.958 1.00 0.00 H Missing atom added: ATOM 33 H2 A A 40 -4.368 -24.149 -11.204 1.00 0.00 H Missing atom added: ATOM 21 H5'1 C A 41 -4.555 -30.922 -10.188 1.00 0.00 H Missing atom added: ATOM 22 H5'2 C A 41 -3.445 -32.407 -10.204 1.00 0.00 H Missing atom added: ATOM 23 H4' C A 41 -3.234 -30.908 -12.053 1.00 0.00 H Missing atom added: ATOM 24 H3' C A 41 -1.082 -30.257 -9.830 1.00 0.00 H Missing atom added: ATOM 27 H1' C A 41 -2.416 -27.683 -12.274 1.00 0.00 H Missing atom added: ATOM 25 H2' C A 41 -0.038 -28.790 -11.456 1.00 0.00 H Missing atom added: ATOM 26 HO'2 C A 41 -1.058 -30.396 -13.209 1.00 0.00 H Missing atom added: ATOM 30 H6 C A 41 -2.811 -28.871 -8.920 1.00 0.00 H Missing atom added: ATOM 28 H41 C A 41 -1.598 -25.309 -6.059 1.00 0.00 H Missing atom added: ATOM 29 H42 C A 41 -0.953 -24.165 -7.157 1.00 0.00 H Missing atom added: ATOM 31 H5 C A 41 -2.606 -27.683 -6.508 1.00 0.00 H Missing atom added: ATOM 24 H5'1 RG3 A 42 0.900 -30.401 -12.820 1.00 0.00 H Missing atom added: ATOM 25 H5'2 RG3 A 42 2.479 -31.351 -12.628 1.00 0.00 H Missing atom added: ATOM 26 H4' RG3 A 42 3.016 -29.448 -13.595 1.00 0.00 H Missing atom added: ATOM 27 H3' RG3 A 42 3.841 -29.764 -10.589 1.00 0.00 H Missing atom added: ATOM 30 H1' RG3 A 42 3.364 -26.404 -12.342 1.00 0.00 H Missing atom added: ATOM 28 H2' RG3 A 42 5.232 -27.851 -10.828 1.00 0.00 H Missing atom added: ATOM 29 HO'2 RG3 A 42 5.516 -28.530 -13.210 1.00 0.00 H Missing atom added: ATOM 31 H8 RG3 A 42 1.489 -28.304 -9.670 1.00 0.00 H Missing atom added: ATOM 34 H1 RG3 A 42 4.040 -22.258 -7.664 1.00 0.00 H Missing atom added: ATOM 32 H21 RG3 A 42 5.532 -22.868 -10.935 1.00 0.00 H Missing atom added: ATOM 33 H22 RG3 A 42 5.644 -22.184 -9.412 1.00 0.00 H Missing atom added: ATOM 35 H3T RG3 A 42 5.255 -29.936 -12.994 1.00 0.00 H Missing atom added: ATOM 3 OP3 C A 1 7.765 -16.604 -2.959 1.00 0.00 O Number of atoms: 1352 Number of residues: 42 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: 1456 Number of angles built: 2602 Number of dihedrals built: 3955 Number of impropers built: 286 ----------------------------------------------------------------------------- End of molecule (chain) ----------------------------------------------------------------------------- Atom's 558 C6 residue renamed to RC3 Atom's 557 C5 residue renamed to RC3 Atom's 556 N4 residue renamed to RC3 Atom's 555 C4 residue renamed to RC3 Atom's 554 N3 residue renamed to RC3 Atom's 553 O2 residue renamed to RC3 Atom's 552 C2 residue renamed to RC3 Atom's 551 N1 residue renamed to RC3 Atom's 550 C1' residue renamed to RC3 Atom's 549 O2' residue renamed to RC3 Atom's 548 C2' residue renamed to RC3 Atom's 547 O3' residue renamed to RC3 Atom's 546 C3' residue renamed to RC3 Atom's 545 O4' residue renamed to RC3 Atom's 544 C4' residue renamed to RC3 Atom's 543 C5' residue renamed to RC3 Atom's 542 O5' residue renamed to RC3 Atom's 541 OP2 residue renamed to RC3 Atom's 540 OP1 residue renamed to RC3 Atom's 539 P residue renamed to RC3 Missing atom added: ATOM 24 H5'1 G B 1 -21.799 1.961 -32.637 1.00 0.00 H Missing atom added: ATOM 25 H5'2 G B 1 -20.664 1.839 -31.178 1.00 0.00 H Missing atom added: ATOM 26 H4' G B 1 -23.135 1.602 -31.060 1.00 0.00 H Missing atom added: ATOM 27 H3' G B 1 -22.082 -0.883 -30.349 1.00 0.00 H Missing atom added: ATOM 30 H1' G B 1 -25.129 -0.744 -32.781 1.00 0.00 H Missing atom added: ATOM 28 H2' G B 1 -24.400 -1.667 -30.187 1.00 0.00 H Missing atom added: ATOM 29 HO'2 G B 1 -24.978 0.738 -29.857 1.00 0.00 H Missing atom added: ATOM 31 H8 G B 1 -21.648 -1.858 -32.987 1.00 0.00 H Missing atom added: ATOM 34 H1 G B 1 -26.048 -7.098 -33.412 1.00 0.00 H Missing atom added: ATOM 32 H21 G B 1 -28.028 -4.325 -32.119 1.00 0.00 H Missing atom added: ATOM 33 H22 G B 1 -27.771 -5.975 -32.232 1.00 0.00 H Missing atom added: ATOM 21 H5'1 C B 2 -25.415 -0.156 -29.167 1.00 0.00 H Missing atom added: ATOM 22 H5'2 C B 2 -25.794 -0.141 -27.352 1.00 0.00 H Missing atom added: ATOM 23 H4' C B 2 -27.482 -1.105 -28.566 1.00 0.00 H Missing atom added: ATOM 24 H3' C B 2 -25.678 -3.218 -27.119 1.00 0.00 H Missing atom added: ATOM 27 H1' C B 2 -27.628 -4.013 -30.262 1.00 0.00 H Missing atom added: ATOM 25 H2' C B 2 -27.393 -4.853 -27.707 1.00 0.00 H Missing atom added: ATOM 26 HO'2 C B 2 -28.995 -2.828 -27.650 1.00 0.00 H Missing atom added: ATOM 30 H6 C B 2 -24.370 -3.060 -29.458 1.00 0.00 H Missing atom added: ATOM 28 H41 C B 2 -21.535 -6.726 -30.400 1.00 0.00 H Missing atom added: ATOM 29 H42 C B 2 -22.658 -7.987 -30.682 1.00 0.00 H Missing atom added: ATOM 31 H5 C B 2 -21.954 -4.216 -29.774 1.00 0.00 H Missing atom added: ATOM 21 H5'1 C B 3 -29.248 -3.798 -26.570 1.00 0.00 H Missing atom added: ATOM 22 H5'2 C B 3 -29.561 -4.625 -24.941 1.00 0.00 H Missing atom added: ATOM 23 H4' C B 3 -30.562 -5.947 -26.057 1.00 0.00 H Missing atom added: ATOM 24 H3' C B 3 -27.911 -6.662 -24.502 1.00 0.00 H Missing atom added: ATOM 27 H1' C B 3 -29.209 -8.761 -27.332 1.00 0.00 H Missing atom added: ATOM 25 H2' C B 3 -28.493 -8.974 -24.715 1.00 0.00 H Missing atom added: ATOM 26 HO'2 C B 3 -30.925 -8.039 -24.817 1.00 0.00 H Missing atom added: ATOM 30 H6 C B 3 -26.773 -6.245 -26.298 1.00 0.00 H Missing atom added: ATOM 28 H41 C B 3 -22.506 -8.181 -26.834 1.00 0.00 H Missing atom added: ATOM 29 H42 C B 3 -22.892 -9.793 -27.261 1.00 0.00 H Missing atom added: ATOM 31 H5 C B 3 -24.085 -6.145 -26.365 1.00 0.00 H Missing atom added: ATOM 21 H5'1 U B 4 -30.324 -9.212 -23.067 1.00 0.00 H Missing atom added: ATOM 22 H5'2 U B 4 -30.660 -9.097 -21.249 1.00 0.00 H Missing atom added: ATOM 23 H4' U B 4 -30.600 -11.258 -22.331 1.00 0.00 H Missing atom added: ATOM 24 H3' U B 4 -27.925 -10.792 -20.895 1.00 0.00 H Missing atom added: ATOM 27 H1' U B 4 -28.098 -12.771 -24.115 1.00 0.00 H Missing atom added: ATOM 25 H2' U B 4 -27.372 -13.088 -21.517 1.00 0.00 H Missing atom added: ATOM 26 HO'2 U B 4 -30.015 -13.290 -21.700 1.00 0.00 H Missing atom added: ATOM 29 H6 U B 4 -27.304 -9.537 -23.449 1.00 0.00 H Missing atom added: ATOM 30 H3 U B 4 -23.302 -12.668 -24.533 1.00 0.00 H Missing atom added: ATOM 28 H5 U B 4 -25.112 -8.495 -23.898 1.00 0.00 H Missing atom added: ATOM 24 H5'1 G B 5 -29.371 -13.672 -20.310 1.00 0.00 H Missing atom added: ATOM 25 H5'2 G B 5 -29.468 -13.979 -18.486 1.00 0.00 H Missing atom added: ATOM 26 H4' G B 5 -28.598 -15.783 -19.650 1.00 0.00 H Missing atom added: ATOM 27 H3' G B 5 -26.321 -14.042 -18.332 1.00 0.00 H Missing atom added: ATOM 30 H1' G B 5 -25.732 -16.222 -21.338 1.00 0.00 H Missing atom added: ATOM 28 H2' G B 5 -24.835 -15.927 -18.847 1.00 0.00 H Missing atom added: ATOM 29 HO'2 G B 5 -27.001 -17.331 -18.597 1.00 0.00 H Missing atom added: ATOM 31 H8 G B 5 -26.228 -12.611 -20.879 1.00 0.00 H Missing atom added: ATOM 34 H1 G B 5 -19.667 -14.160 -22.159 1.00 0.00 H Missing atom added: ATOM 32 H21 G B 5 -21.223 -17.339 -21.283 1.00 0.00 H Missing atom added: ATOM 33 H22 G B 5 -19.854 -16.379 -21.335 1.00 0.00 H Missing atom added: ATOM 24 H5'1 G B 6 -25.727 -17.442 -16.526 1.00 0.00 H Missing atom added: ATOM 25 H5'2 G B 6 -25.640 -17.083 -14.711 1.00 0.00 H Missing atom added: ATOM 26 H4' G B 6 -23.920 -18.465 -15.386 1.00 0.00 H Missing atom added: ATOM 27 H3' G B 6 -23.103 -15.663 -14.545 1.00 0.00 H Missing atom added: ATOM 30 H1' G B 6 -21.158 -17.504 -17.241 1.00 0.00 H Missing atom added: ATOM 28 H2' G B 6 -20.818 -16.323 -14.735 1.00 0.00 H Missing atom added: ATOM 29 HO'2 G B 6 -21.633 -18.691 -14.349 1.00 0.00 H Missing atom added: ATOM 31 H8 G B 6 -23.581 -14.657 -17.127 1.00 0.00 H Missing atom added: ATOM 34 H1 G B 6 -17.334 -13.078 -19.500 1.00 0.00 H Missing atom added: ATOM 32 H21 G B 6 -16.971 -16.399 -18.045 1.00 0.00 H Missing atom added: ATOM 33 H22 G B 6 -16.289 -14.923 -18.437 1.00 0.00 H Missing atom added: ATOM 23 H5'1 A B 7 -20.845 -17.008 -12.473 1.00 0.00 H Missing atom added: ATOM 24 H5'2 A B 7 -21.080 -17.157 -10.641 1.00 0.00 H Missing atom added: ATOM 25 H4' A B 7 -19.021 -16.371 -11.029 1.00 0.00 H Missing atom added: ATOM 26 H3' A B 7 -20.988 -14.411 -9.727 1.00 0.00 H Missing atom added: ATOM 29 H1' A B 7 -18.153 -13.179 -11.927 1.00 0.00 H Missing atom added: ATOM 27 H2' A B 7 -19.125 -12.927 -9.357 1.00 0.00 H Missing atom added: ATOM 28 HO'2 A B 7 -17.719 -15.095 -9.468 1.00 0.00 H Missing atom added: ATOM 30 H8 A B 7 -21.907 -13.279 -12.266 1.00 0.00 H Missing atom added: ATOM 31 H61 A B 7 -22.410 -8.627 -13.708 1.00 0.00 H Missing atom added: ATOM 32 H62 A B 7 -21.282 -7.362 -13.920 1.00 0.00 H Missing atom added: ATOM 33 H2 A B 7 -16.923 -8.687 -12.561 1.00 0.00 H Missing atom added: ATOM 23 H5'1 A B 8 -18.823 -15.610 -5.033 1.00 0.00 H Missing atom added: ATOM 24 H5'2 A B 8 -18.192 -14.078 -5.864 1.00 0.00 H Missing atom added: ATOM 25 H4' A B 8 -16.689 -14.122 -5.098 1.00 0.00 H Missing atom added: ATOM 26 H3' A B 8 -17.697 -12.791 -4.806 1.00 0.00 H Missing atom added: ATOM 29 H1' A B 8 -15.277 -12.492 -7.813 1.00 0.00 H Missing atom added: ATOM 27 H2' A B 8 -15.624 -11.532 -5.185 1.00 0.00 H Missing atom added: ATOM 28 HO'2 A B 8 -14.451 -13.754 -4.923 1.00 0.00 H Missing atom added: ATOM 30 H8 A B 8 -18.729 -12.242 -8.010 1.00 0.00 H Missing atom added: ATOM 31 H61 A B 8 -19.142 -7.425 -8.789 1.00 0.00 H Missing atom added: ATOM 32 H62 A B 8 -18.009 -6.149 -8.721 1.00 0.00 H Missing atom added: ATOM 33 H2 A B 8 -13.763 -7.683 -7.233 1.00 0.00 H Missing atom added: ATOM 23 H5'1 A B 9 -14.694 -13.440 -2.728 1.00 0.00 H Missing atom added: ATOM 24 H5'2 A B 9 -14.944 -12.102 -1.470 1.00 0.00 H Missing atom added: ATOM 25 H4' A B 9 -13.281 -11.387 -2.039 1.00 0.00 H Missing atom added: ATOM 26 H3' A B 9 -15.805 -10.065 -1.321 1.00 0.00 H Missing atom added: ATOM 29 H1' A B 9 -13.701 -8.471 -4.032 1.00 0.00 H Missing atom added: ATOM 27 H2' A B 9 -14.758 -7.943 -1.555 1.00 0.00 H Missing atom added: ATOM 28 HO'2 A B 9 -12.587 -9.092 -1.145 1.00 0.00 H Missing atom added: ATOM 30 H8 A B 9 -17.011 -10.204 -3.640 1.00 0.00 H Missing atom added: ATOM 31 H61 A B 9 -19.803 -6.648 -5.525 1.00 0.00 H Missing atom added: ATOM 32 H62 A B 9 -19.439 -5.083 -6.103 1.00 0.00 H Missing atom added: ATOM 33 H2 A B 9 -14.810 -4.099 -5.636 1.00 0.00 H Missing atom added: ATOM 23 H5'1 A B 10 -14.340 -7.947 0.219 1.00 0.00 H Missing atom added: ATOM 24 H5'2 A B 10 -13.903 -7.705 2.004 1.00 0.00 H Missing atom added: ATOM 25 H4' A B 10 -14.343 -5.757 1.268 1.00 0.00 H Missing atom added: ATOM 26 H3' A B 10 -16.966 -7.064 2.622 1.00 0.00 H Missing atom added: ATOM 29 H1' A B 10 -16.850 -4.057 0.323 1.00 0.00 H Missing atom added: ATOM 27 H2' A B 10 -18.217 -5.407 2.652 1.00 0.00 H Missing atom added: ATOM 28 HO'2 A B 10 -16.871 -4.170 3.539 1.00 0.00 H Missing atom added: ATOM 30 H8 A B 10 -18.508 -7.292 -0.697 1.00 0.00 H Missing atom added: ATOM 31 H61 A B 10 -20.009 -5.306 -4.886 1.00 0.00 H Missing atom added: ATOM 32 H62 A B 10 -19.735 -3.779 -5.601 1.00 0.00 H Missing atom added: ATOM 33 H2 A B 10 -16.886 -1.093 -2.904 1.00 0.00 H Missing atom added: ATOM 21 H5'1 C B 11 -16.613 -7.853 6.993 1.00 0.00 H Missing atom added: ATOM 22 H5'2 C B 11 -16.358 -8.625 5.327 1.00 0.00 H Missing atom added: ATOM 23 H4' C B 11 -17.590 -9.920 6.896 1.00 0.00 H Missing atom added: ATOM 24 H3' C B 11 -19.434 -8.578 4.803 1.00 0.00 H Missing atom added: ATOM 27 H1' C B 11 -20.678 -9.177 8.276 1.00 0.00 H Missing atom added: ATOM 25 H2' C B 11 -21.285 -9.761 5.682 1.00 0.00 H Missing atom added: ATOM 26 HO'2 C B 11 -19.584 -11.488 6.453 1.00 0.00 H Missing atom added: ATOM 30 H6 C B 11 -19.241 -6.377 6.858 1.00 0.00 H Missing atom added: ATOM 28 H41 C B 11 -22.602 -3.226 5.799 1.00 0.00 H Missing atom added: ATOM 29 H42 C B 11 -24.032 -4.154 5.958 1.00 0.00 H Missing atom added: ATOM 31 H5 C B 11 -20.102 -3.922 6.149 1.00 0.00 H Missing atom added: ATOM 21 H5'1 U B 12 -21.030 -12.229 4.008 1.00 0.00 H Missing atom added: ATOM 22 H5'2 U B 12 -20.682 -12.872 2.305 1.00 0.00 H Missing atom added: ATOM 23 H4' U B 12 -22.919 -13.048 3.274 1.00 0.00 H Missing atom added: ATOM 24 H3' U B 12 -22.985 -10.957 1.166 1.00 0.00 H Missing atom added: ATOM 27 H1' U B 12 -24.988 -10.541 4.430 1.00 0.00 H Missing atom added: ATOM 25 H2' U B 12 -25.372 -10.740 1.663 1.00 0.00 H Missing atom added: ATOM 26 HO'2 U B 12 -25.223 -13.121 2.464 1.00 0.00 H Missing atom added: ATOM 29 H6 U B 12 -22.068 -9.233 3.374 1.00 0.00 H Missing atom added: ATOM 30 H3 U B 12 -26.136 -6.026 2.898 1.00 0.00 H Missing atom added: ATOM 28 H5 U B 12 -21.617 -6.841 2.945 1.00 0.00 H Missing atom added: ATOM 21 H5'1 C B 13 -26.594 -13.109 0.324 1.00 0.00 H Missing atom added: ATOM 22 H5'2 C B 13 -26.718 -13.322 -1.514 1.00 0.00 H Missing atom added: ATOM 23 H4' C B 13 -28.652 -12.506 -0.576 1.00 0.00 H Missing atom added: ATOM 24 H3' C B 13 -27.262 -10.571 -2.389 1.00 0.00 H Missing atom added: ATOM 27 H1' C B 13 -29.106 -9.206 0.553 1.00 0.00 H Missing atom added: ATOM 25 H2' C B 13 -29.165 -9.090 -2.084 1.00 0.00 H Missing atom added: ATOM 26 HO'2 C B 13 -30.463 -11.221 -1.409 1.00 0.00 H Missing atom added: ATOM 30 H6 C B 13 -25.698 -9.833 -0.316 1.00 0.00 H Missing atom added: ATOM 28 H41 C B 13 -23.568 -5.620 -0.572 1.00 0.00 H Missing atom added: ATOM 29 H42 C B 13 -24.890 -4.539 -0.459 1.00 0.00 H Missing atom added: ATOM 31 H5 C B 13 -23.533 -8.239 -0.524 1.00 0.00 H Missing atom added: ATOM 21 H5'1 U B 14 -30.739 -10.516 -3.625 1.00 0.00 H Missing atom added: ATOM 22 H5'2 U B 14 -30.834 -10.710 -5.465 1.00 0.00 H Missing atom added: ATOM 23 H4' U B 14 -32.119 -9.006 -4.713 1.00 0.00 H Missing atom added: ATOM 24 H3' U B 14 -29.626 -8.068 -6.233 1.00 0.00 H Missing atom added: ATOM 27 H1' U B 14 -31.171 -5.922 -3.557 1.00 0.00 H Missing atom added: ATOM 25 H2' U B 14 -30.688 -5.832 -6.106 1.00 0.00 H Missing atom added: ATOM 26 HO'2 U B 14 -32.924 -7.126 -5.868 1.00 0.00 H Missing atom added: ATOM 29 H6 U B 14 -28.362 -8.116 -3.749 1.00 0.00 H Missing atom added: ATOM 30 H3 U B 14 -27.237 -3.041 -3.842 1.00 0.00 H Missing atom added: ATOM 28 H5 U B 14 -25.990 -7.451 -3.551 1.00 0.00 H Missing atom added: ATOM 24 H5'1 G B 15 -32.268 -6.501 -7.995 1.00 0.00 H Missing atom added: ATOM 25 H5'2 G B 15 -31.882 -6.404 -9.804 1.00 0.00 H Missing atom added: ATOM 26 H4' G B 15 -32.111 -4.370 -9.303 1.00 0.00 H Missing atom added: ATOM 27 H3' G B 15 -29.277 -5.506 -10.026 1.00 0.00 H Missing atom added: ATOM 30 H1' G B 15 -29.787 -2.309 -8.003 1.00 0.00 H Missing atom added: ATOM 28 H2' G B 15 -28.577 -3.212 -10.337 1.00 0.00 H Missing atom added: ATOM 29 HO'2 G B 15 -31.085 -2.806 -10.870 1.00 0.00 H Missing atom added: ATOM 31 H8 G B 15 -28.584 -5.834 -7.512 1.00 0.00 H Missing atom added: ATOM 34 H1 G B 15 -23.807 -1.025 -6.469 1.00 0.00 H Missing atom added: ATOM 32 H21 G B 15 -26.622 0.755 -7.952 1.00 0.00 H Missing atom added: ATOM 33 H22 G B 15 -24.970 0.617 -7.729 1.00 0.00 H Missing atom added: ATOM 23 H5'1 A B 16 -29.875 -3.025 -14.155 1.00 0.00 H Missing atom added: ATOM 24 H5'2 A B 16 -28.172 -3.685 -14.474 1.00 0.00 H Missing atom added: ATOM 25 H4' A B 16 -27.983 -1.529 -14.601 1.00 0.00 H Missing atom added: ATOM 26 H3' A B 16 -26.141 -3.017 -14.204 1.00 0.00 H Missing atom added: ATOM 29 H1' A B 16 -26.384 -0.301 -11.561 1.00 0.00 H Missing atom added: ATOM 27 H2' A B 16 -24.759 -1.147 -13.658 1.00 0.00 H Missing atom added: ATOM 28 HO'2 A B 16 -26.612 0.248 -14.683 1.00 0.00 H Missing atom added: ATOM 30 H8 A B 16 -26.692 -3.791 -11.209 1.00 0.00 H Missing atom added: ATOM 31 H61 A B 16 -22.680 -4.715 -8.551 1.00 0.00 H Missing atom added: ATOM 32 H62 A B 16 -21.364 -3.734 -8.078 1.00 0.00 H Missing atom added: ATOM 33 H2 A B 16 -21.685 0.619 -9.963 1.00 0.00 H Missing atom added: ATOM 23 H5'1 A B 17 -25.748 -0.103 -16.843 1.00 0.00 H Missing atom added: ATOM 24 H5'2 A B 17 -24.428 -0.893 -17.877 1.00 0.00 H Missing atom added: ATOM 25 H4' A B 17 -23.610 0.953 -16.895 1.00 0.00 H Missing atom added: ATOM 26 H3' A B 17 -22.090 -1.352 -16.745 1.00 0.00 H Missing atom added: ATOM 29 H1' A B 17 -22.283 0.789 -13.589 1.00 0.00 H Missing atom added: ATOM 27 H2' A B 17 -20.466 -0.088 -15.454 1.00 0.00 H Missing atom added: ATOM 28 HO'2 A B 17 -21.654 2.013 -16.344 1.00 0.00 H Missing atom added: ATOM 30 H8 A B 17 -23.756 -2.553 -14.220 1.00 0.00 H Missing atom added: ATOM 31 H61 A B 17 -20.588 -5.418 -11.818 1.00 0.00 H Missing atom added: ATOM 32 H62 A B 17 -19.086 -5.098 -11.070 1.00 0.00 H Missing atom added: ATOM 33 H2 A B 17 -17.802 -0.557 -11.636 1.00 0.00 H Missing atom added: ATOM 21 H5'1 U B 18 -21.421 1.964 -18.734 1.00 0.00 H Missing atom added: ATOM 22 H5'2 U B 18 -19.771 1.121 -18.702 1.00 0.00 H Missing atom added: ATOM 23 H4' U B 18 -18.907 2.190 -17.959 1.00 0.00 H Missing atom added: ATOM 24 H3' U B 18 -18.879 -0.720 -18.777 1.00 0.00 H Missing atom added: ATOM 27 H1' U B 18 -17.557 0.286 -15.376 1.00 0.00 H Missing atom added: ATOM 25 H2' U B 18 -16.791 -1.022 -17.740 1.00 0.00 H Missing atom added: ATOM 26 HO'2 U B 18 -16.409 1.413 -18.097 1.00 0.00 H Missing atom added: ATOM 29 H6 U B 18 -20.222 -1.388 -16.979 1.00 0.00 H Missing atom added: ATOM 30 H3 U B 18 -17.184 -4.043 -13.721 1.00 0.00 H Missing atom added: ATOM 28 H5 U B 18 -20.928 -3.662 -16.350 1.00 0.00 H Missing atom added: ATOM 24 H5'1 G B 19 -14.780 0.986 -19.294 1.00 0.00 H Missing atom added: ATOM 25 H5'2 G B 19 -14.062 0.123 -20.767 1.00 0.00 H Missing atom added: ATOM 26 H4' G B 19 -12.680 -0.094 -18.921 1.00 0.00 H Missing atom added: ATOM 27 H3' G B 19 -14.119 -2.660 -19.780 1.00 0.00 H Missing atom added: ATOM 30 H1' G B 19 -13.070 -1.872 -16.102 1.00 0.00 H Missing atom added: ATOM 28 H2' G B 19 -12.538 -3.766 -18.180 1.00 0.00 H Missing atom added: ATOM 29 HO'2 G B 19 -10.959 -1.868 -18.724 1.00 0.00 H Missing atom added: ATOM 31 H8 G B 19 -16.254 -2.160 -17.718 1.00 0.00 H Missing atom added: ATOM 34 H1 G B 19 -14.615 -7.701 -14.031 1.00 0.00 H Missing atom added: ATOM 32 H21 G B 19 -11.495 -5.850 -14.379 1.00 0.00 H Missing atom added: ATOM 33 H22 G B 19 -12.282 -7.318 -14.218 1.00 0.00 H Missing atom added: ATOM 24 H5'1 G B 20 -10.158 -4.026 -20.279 1.00 0.00 H Missing atom added: ATOM 25 H5'2 G B 20 -10.258 -5.213 -21.698 1.00 0.00 H Missing atom added: ATOM 26 H4' G B 20 -9.270 -6.335 -20.089 1.00 0.00 H Missing atom added: ATOM 27 H3' G B 20 -12.008 -7.044 -21.230 1.00 0.00 H Missing atom added: ATOM 30 H1' G B 20 -10.840 -8.013 -17.604 1.00 0.00 H Missing atom added: ATOM 28 H2' G B 20 -11.595 -9.240 -20.089 1.00 0.00 H Missing atom added: ATOM 29 HO'2 G B 20 -9.113 -8.452 -20.464 1.00 0.00 H Missing atom added: ATOM 31 H8 G B 20 -13.632 -5.869 -19.018 1.00 0.00 H Missing atom added: ATOM 34 H1 G B 20 -15.904 -11.691 -16.185 1.00 0.00 H Missing atom added: ATOM 32 H21 G B 20 -12.311 -12.169 -16.558 1.00 0.00 H Missing atom added: ATOM 33 H22 G B 20 -13.848 -12.827 -16.506 1.00 0.00 H Missing atom added: ATOM 21 H5'1 C B 21 -9.756 -10.142 -21.279 1.00 0.00 H Missing atom added: ATOM 22 H5'2 C B 21 -9.679 -10.841 -22.994 1.00 0.00 H Missing atom added: ATOM 23 H4' C B 21 -9.944 -12.426 -21.265 1.00 0.00 H Missing atom added: ATOM 24 H3' C B 21 -12.548 -11.978 -22.829 1.00 0.00 H Missing atom added: ATOM 27 H1' C B 21 -12.484 -12.889 -19.089 1.00 0.00 H Missing atom added: ATOM 25 H2' C B 21 -13.434 -13.879 -21.578 1.00 0.00 H Missing atom added: ATOM 26 HO'2 C B 21 -11.120 -14.781 -21.350 1.00 0.00 H Missing atom added: ATOM 30 H6 C B 21 -13.074 -10.234 -21.147 1.00 0.00 H Missing atom added: ATOM 28 H41 C B 21 -17.695 -9.291 -20.809 1.00 0.00 H Missing atom added: ATOM 29 H42 C B 21 -18.283 -10.661 -19.966 1.00 0.00 H Missing atom added: ATOM 31 H5 C B 21 -15.255 -8.700 -21.557 1.00 0.00 H Missing atom added: ATOM 21 H5'1 C B 22 -11.605 -15.830 -23.167 1.00 0.00 H Missing atom added: ATOM 22 H5'2 C B 22 -12.280 -16.271 -24.836 1.00 0.00 H Missing atom added: ATOM 23 H4' C B 22 -13.074 -17.662 -23.151 1.00 0.00 H Missing atom added: ATOM 24 H3' C B 22 -15.048 -16.250 -24.691 1.00 0.00 H Missing atom added: ATOM 27 H1' C B 22 -15.709 -16.707 -21.001 1.00 0.00 H Missing atom added: ATOM 25 H2' C B 22 -16.661 -17.600 -23.326 1.00 0.00 H Missing atom added: ATOM 26 HO'2 C B 22 -14.497 -19.066 -22.849 1.00 0.00 H Missing atom added: ATOM 30 H6 C B 22 -14.720 -14.009 -22.756 1.00 0.00 H Missing atom added: ATOM 28 H41 C B 22 -18.406 -11.052 -22.907 1.00 0.00 H Missing atom added: ATOM 29 H42 C B 22 -19.695 -12.057 -22.401 1.00 0.00 H Missing atom added: ATOM 31 H5 C B 22 -15.867 -11.617 -23.236 1.00 0.00 H Missing atom added: ATOM 23 H5'1 A B 23 -16.445 -20.271 -25.304 1.00 0.00 H Missing atom added: ATOM 24 H5'2 A B 23 -16.657 -20.270 -27.146 1.00 0.00 H Missing atom added: ATOM 25 H4' A B 23 -18.493 -21.095 -26.036 1.00 0.00 H Missing atom added: ATOM 26 H3' A B 23 -18.987 -18.512 -27.467 1.00 0.00 H Missing atom added: ATOM 29 H1' A B 23 -20.836 -19.140 -24.287 1.00 0.00 H Missing atom added: ATOM 27 H2' A B 23 -21.328 -18.748 -26.853 1.00 0.00 H Missing atom added: ATOM 28 HO'2 A B 23 -20.796 -21.263 -26.574 1.00 0.00 H Missing atom added: ATOM 30 H8 A B 23 -17.920 -16.994 -25.054 1.00 0.00 H Missing atom added: ATOM 31 H61 A B 23 -20.007 -12.579 -24.683 1.00 0.00 H Missing atom added: ATOM 32 H62 A B 23 -21.624 -12.092 -24.433 1.00 0.00 H Missing atom added: ATOM 33 H2 A B 23 -24.568 -15.824 -24.384 1.00 0.00 H Missing atom added: ATOM 24 H5'1 G B 24 -21.791 -20.939 -28.807 1.00 0.00 H Missing atom added: ATOM 25 H5'2 G B 24 -21.999 -20.588 -30.614 1.00 0.00 H Missing atom added: ATOM 26 H4' G B 24 -23.955 -20.466 -29.268 1.00 0.00 H Missing atom added: ATOM 27 H3' G B 24 -23.312 -18.048 -30.616 1.00 0.00 H Missing atom added: ATOM 30 H1' G B 24 -24.632 -17.775 -27.042 1.00 0.00 H Missing atom added: ATOM 28 H2' G B 24 -25.349 -17.112 -29.622 1.00 0.00 H Missing atom added: ATOM 29 HO'2 G B 24 -26.084 -19.535 -29.327 1.00 0.00 H Missing atom added: ATOM 31 H8 G B 24 -21.323 -17.115 -28.185 1.00 0.00 H Missing atom added: ATOM 34 H1 G B 24 -24.923 -11.294 -27.636 1.00 0.00 H Missing atom added: ATOM 32 H21 G B 24 -27.425 -13.943 -27.659 1.00 0.00 H Missing atom added: ATOM 33 H22 G B 24 -27.009 -12.359 -28.003 1.00 0.00 H Missing atom added: ATOM 24 H5'1 G B 25 -27.207 -18.449 -31.144 1.00 0.00 H Missing atom added: ATOM 25 H5'2 G B 25 -27.510 -18.053 -32.928 1.00 0.00 H Missing atom added: ATOM 26 H4' G B 25 -28.869 -16.916 -31.370 1.00 0.00 H Missing atom added: ATOM 27 H3' G B 25 -27.427 -15.203 -33.064 1.00 0.00 H Missing atom added: ATOM 30 H1' G B 25 -27.722 -14.253 -29.345 1.00 0.00 H Missing atom added: ATOM 28 H2' G B 25 -28.545 -13.374 -31.816 1.00 0.00 H Missing atom added: ATOM 29 HO'2 G B 25 -30.141 -15.355 -31.126 1.00 0.00 H Missing atom added: ATOM 31 H8 G B 25 -24.813 -15.219 -31.115 1.00 0.00 H Missing atom added: ATOM 34 H1 G B 25 -25.073 -8.433 -30.126 1.00 0.00 H Missing atom added: ATOM 32 H21 G B 25 -28.488 -9.587 -29.582 1.00 0.00 H Missing atom added: ATOM 33 H22 G B 25 -27.443 -8.367 -30.051 1.00 0.00 H Missing atom added: ATOM 21 H5'1 RC3 B 26 -31.245 -13.548 -32.853 1.00 0.00 H Missing atom added: ATOM 22 H5'2 RC3 B 26 -31.963 -13.351 -34.551 1.00 0.00 H Missing atom added: ATOM 23 H4' RC3 B 26 -32.147 -11.512 -32.956 1.00 0.00 H Missing atom added: ATOM 24 H3' RC3 B 26 -30.336 -10.904 -35.213 1.00 0.00 H Missing atom added: ATOM 27 H1' RC3 B 26 -29.591 -9.754 -31.481 1.00 0.00 H Missing atom added: ATOM 25 H2' RC3 B 26 -29.974 -8.733 -34.319 1.00 0.00 H Missing atom added: ATOM 26 HO'2 RC3 B 26 -32.189 -8.858 -33.432 1.00 0.00 H Missing atom added: ATOM 30 H6 RC3 B 26 -28.134 -11.990 -33.481 1.00 0.00 H Missing atom added: ATOM 28 H41 RC3 B 26 -23.746 -10.370 -34.048 1.00 0.00 H Missing atom added: ATOM 29 H42 RC3 B 26 -23.879 -8.764 -33.470 1.00 0.00 H Missing atom added: ATOM 31 H5 RC3 B 26 -25.542 -12.276 -34.135 1.00 0.00 H Missing atom added: ATOM 32 H3T RC3 B 26 -32.137 -9.402 -34.642 1.00 0.00 H Missing atom added: ATOM 898 OP3 G B 1 -19.753 1.488 -34.756 1.00 0.00 O Number of atoms: 842 Number of residues: 26 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: 908 Number of angles built: 1621 Number of dihedrals built: 2463 Number of impropers built: 179 ----------------------------------------------------------------------------- End of molecule (chain) ----------------------------------------------------------------------------- ----------------------------------------------------------------------------- Building interresidual nonbonded pairs & H-bonds (it may take a while)... Number of electrostatic pairs: 2399134 Number of van der Waals pairs: 298753 Number of H-bonds built: 89 Number of spring restraints: 0 Number of positional restraints: 0 Number of base pairs built: 25 Number of molecules (chains) read: 2 ----------------------------------------------------------------------------- Performing minimization step: 1. Total energy = 105518.2142 kcal/mol (105258.1284 without restraints) Performing minimization step: 2. Total energy = 103559.5990 kcal/mol (103307.8762 without restraints) Performing minimization step: 3. Total energy = 101670.1242 kcal/mol (101426.3624 without restraints) Performing minimization step: 4. Total energy = 99846.4894 kcal/mol (99610.3114 without restraints) Performing minimization step: 5. Total energy = 98085.5961 kcal/mol (97856.6474 without restraints) Performing minimization step: 6. Total energy = 96384.5316 kcal/mol (96162.4788 without restraints) Performing minimization step: 7. Total energy = 94740.5541 kcal/mol (94525.0832 without restraints) Performing minimization step: 8. Total energy = 93151.0812 kcal/mol (92941.8963 without restraints) Performing minimization step: 9. Total energy = 91613.6769 kcal/mol (91410.4989 without restraints) Performing minimization step: 10. Total energy = 90126.0420 kcal/mol (89928.6071 without restraints) Performing minimization step: 11. Total energy = 88686.0044 kcal/mol (88494.0633 without restraints) Performing minimization step: 12. Total energy = 87291.5100 kcal/mol (87104.8271 without restraints) Performing minimization step: 13. Total energy = 85940.6156 kcal/mol (85758.9676 without restraints) Performing minimization step: 14. Total energy = 84631.4808 kcal/mol (84454.6564 without restraints) Performing minimization step: 15. Total energy = 83362.3624 kcal/mol (83190.1613 without restraints) Performing minimization step: 16. Total energy = 82131.6070 kcal/mol (81963.8391 without restraints) Performing minimization step: 17. Total energy = 80937.6463 kcal/mol (80774.1314 without restraints) Performing minimization step: 18. Total energy = 79778.9921 kcal/mol (79619.5589 without restraints) Performing minimization step: 19. Total energy = 78654.2300 kcal/mol (78498.7160 without restraints) Performing minimization step: 20. Total energy = 77562.0167 kcal/mol (77410.2671 without restraints) Performing minimization step: 21. Total energy = 76501.0745 kcal/mol (76352.9424 without restraints) Performing minimization step: 22. Total energy = 75470.1883 kcal/mol (75325.5338 without restraints) Performing minimization step: 23. Total energy = 74468.2016 kcal/mol (74326.8915 without restraints) Performing minimization step: 24. Total energy = 73494.0133 kcal/mol (73355.9207 without restraints) Performing minimization step: 25. Total energy = 72546.5743 kcal/mol (72411.5785 without restraints) Performing minimization step: 26. Total energy = 71624.8850 kcal/mol (71492.8706 without restraints) Performing minimization step: 27. Total energy = 70727.9920 kcal/mol (70598.8493 without restraints) Performing minimization step: 28. Total energy = 69854.9862 kcal/mol (69728.6104 without restraints) Performing minimization step: 29. Total energy = 69004.9999 kcal/mol (68881.2907 without restraints) Performing minimization step: 30. Total energy = 68177.2045 kcal/mol (68056.0666 without restraints) Performing minimization step: 31. Total energy = 67370.8089 kcal/mol (67252.1509 without restraints) Performing minimization step: 32. Total energy = 66585.0569 kcal/mol (66468.7916 without restraints) Performing minimization step: 33. Total energy = 65819.2259 kcal/mol (65705.2699 without restraints) Performing minimization step: 34. Total energy = 65072.6244 kcal/mol (64960.8978 without restraints) Performing minimization step: 35. Total energy = 64344.5917 kcal/mol (64235.0187 without restraints) Performing minimization step: 36. Total energy = 63634.4947 kcal/mol (63527.0015 without restraints) Performing minimization step: 37. Total energy = 62941.7271 kcal/mol (62836.2439 without restraints) Performing minimization step: 38. Total energy = 62265.7084 kcal/mol (62162.1683 without restraints) Performing minimization step: 39. Total energy = 61605.8830 kcal/mol (61504.2216 without restraints) Performing minimization step: 40. Total energy = 60961.7169 kcal/mol (60861.8727 without restraints) Performing minimization step: 41. Total energy = 60332.6991 kcal/mol (60234.6130 without restraints) Performing minimization step: 42. Total energy = 59718.3392 kcal/mol (59621.9545 without restraints) Performing minimization step: 43. Total energy = 59118.1664 kcal/mol (59023.4284 without restraints) Performing minimization step: 44. Total energy = 58531.7281 kcal/mol (58438.5848 without restraints) Performing minimization step: 45. Total energy = 57958.5905 kcal/mol (57866.9916 without restraints) Performing minimization step: 46. Total energy = 57398.3364 kcal/mol (57308.2336 without restraints) Performing minimization step: 47. Total energy = 56850.5650 kcal/mol (56761.9119 without restraints) Performing minimization step: 48. Total energy = 56314.8905 kcal/mol (56227.6425 without restraints) Performing minimization step: 49. Total energy = 55790.9424 kcal/mol (55705.0567 without restraints) Performing minimization step: 50. Total energy = 55278.3640 kcal/mol (55193.7992 without restraints) Performing minimization step: 51. Total energy = 54776.8118 kcal/mol (54693.5281 without restraints) Performing minimization step: 52. Total energy = 54285.9552 kcal/mol (54203.9144 without restraints) Performing minimization step: 53. Total energy = 53805.4761 kcal/mol (53724.6414 without restraints) Performing minimization step: 54. Total energy = 53335.0674 kcal/mol (53255.4031 without restraints) Performing minimization step: 55. Total energy = 52874.4335 kcal/mol (52795.9054 without restraints) Performing minimization step: 56. Total energy = 52423.2895 kcal/mol (52345.8646 without restraints) Performing minimization step: 57. Total energy = 51981.3606 kcal/mol (51905.0072 without restraints) Performing minimization step: 58. Total energy = 51548.3818 kcal/mol (51473.0690 without restraints) Performing minimization step: 59. Total energy = 51124.0973 kcal/mol (51049.7955 without restraints) Performing minimization step: 60. Total energy = 50708.2603 kcal/mol (50634.9410 without restraints) Performing minimization step: 61. Total energy = 50300.6326 kcal/mol (50228.2680 without restraints) Performing minimization step: 62. Total energy = 49900.9836 kcal/mol (49829.5472 without restraints) Performing minimization step: 63. Total energy = 49509.0920 kcal/mol (49438.5580 without restraints) Performing minimization step: 64. Total energy = 49124.7425 kcal/mol (49055.0859 without restraints) Performing minimization step: 65. Total energy = 48747.7278 kcal/mol (48678.9248 without restraints) Performing minimization step: 66. Total energy = 48377.8478 kcal/mol (48309.8748 without restraints) Performing minimization step: 67. Total energy = 48014.9081 kcal/mol (47947.7427 without restraints) Performing minimization step: 68. Total energy = 47658.7214 kcal/mol (47592.3420 without restraints) Performing minimization step: 69. Total energy = 47309.1065 kcal/mol (47243.4920 without restraints) Performing minimization step: 70. Total energy = 46965.8879 kcal/mol (46901.0180 without restraints) Performing minimization step: 71. Total energy = 46628.8960 kcal/mol (46564.7510 without restraints) Performing minimization step: 72. Total energy = 46297.9664 kcal/mol (46234.5272 without restraints) Performing minimization step: 73. Total energy = 45972.9408 kcal/mol (45910.1890 without restraints) Performing minimization step: 74. Total energy = 45653.6646 kcal/mol (45591.5824 without restraints) Performing minimization step: 75. Total energy = 45339.9891 kcal/mol (45278.5591 without restraints) Performing minimization step: 76. Total energy = 45031.7701 kcal/mol (44970.9756 without restraints) Performing minimization step: 77. Total energy = 44728.8676 kcal/mol (44668.6925 without restraints) Performing minimization step: 78. Total energy = 44431.1464 kcal/mol (44371.5748 without restraints) Performing minimization step: 79. Total energy = 44138.4754 kcal/mol (44079.4922 without restraints) Performing minimization step: 80. Total energy = 43850.7273 kcal/mol (43792.3177 without restraints) Performing minimization step: 81. Total energy = 43567.7790 kcal/mol (43509.9287 without restraints) Performing minimization step: 82. Total energy = 43289.5107 kcal/mol (43232.2059 without restraints) Performing minimization step: 83. Total energy = 43015.8073 kcal/mol (42959.0345 without restraints) Performing minimization step: 84. Total energy = 42746.5564 kcal/mol (42690.3027 without restraints) Performing minimization step: 85. Total energy = 42481.6490 kcal/mol (42425.9017 without restraints) Performing minimization step: 86. Total energy = 42220.9797 kcal/mol (42165.7266 without restraints) Performing minimization step: 87. Total energy = 41964.4459 kcal/mol (41909.6750 without restraints) Performing minimization step: 88. Total energy = 41711.9485 kcal/mol (41657.6484 without restraints) Performing minimization step: 89. Total energy = 41463.3909 kcal/mol (41409.5503 without restraints) Performing minimization step: 90. Total energy = 41218.6799 kcal/mol (41165.2881 without restraints) Performing minimization step: 91. Total energy = 40977.7246 kcal/mol (40924.7710 without restraints) Performing minimization step: 92. Total energy = 40740.4372 kcal/mol (40687.9116 without restraints) Performing minimization step: 93. Total energy = 40506.7319 kcal/mol (40454.6244 without restraints) Performing minimization step: 94. Total energy = 40276.5258 kcal/mol (40224.8267 without restraints) Performing minimization step: 95. Total energy = 40049.7388 kcal/mol (39998.4387 without restraints) Performing minimization step: 96. Total energy = 39826.2919 kcal/mol (39775.3821 without restraints) Performing minimization step: 97. Total energy = 39606.1097 kcal/mol (39555.5810 without restraints) Performing minimization step: 98. Total energy = 39389.1180 kcal/mol (39338.9619 without restraints) Performing minimization step: 99. Total energy = 39175.2454 kcal/mol (39125.4537 without restraints) Performing minimization step: 100. Total energy = 38964.4217 kcal/mol (38914.9863 without restraints) Writing PDB file: /home/ubuntu/rna-tools/rna_tools/tools/webserver-engine/media/jobs/2d335455/tmp/BKL10Csep8M-d00ec2c2_sim_minE_TOTAL-000001_AA_refx/BKL10Csep8M-d00ec2c2_sim_minE_TOTAL-000001_AA_refx.pdb ...Done. Performing minimization step: 101. Total energy = 38756.5798 kcal/mol (38707.4928 without restraints) Performing minimization step: 102. Total energy = 38551.6544 kcal/mol (38502.9082 without restraints) Performing minimization step: 103. Total energy = 38349.5811 kcal/mol (38301.1683 without restraints) Performing minimization step: 104. Total energy = 38150.2981 kcal/mol (38102.2116 without restraints) Performing minimization step: 105. Total energy = 37953.7450 kcal/mol (37905.9778 without restraints) Performing minimization step: 106. Total energy = 37759.8631 kcal/mol (37712.4083 without restraints) Performing minimization step: 107. Total energy = 37568.5954 kcal/mol (37521.4465 without restraints) Performing minimization step: 108. Total energy = 37379.8868 kcal/mol (37333.0372 without restraints) Performing minimization step: 109. Total energy = 37193.6828 kcal/mol (37147.1264 without restraints) Performing minimization step: 110. Total energy = 37009.9312 kcal/mol (36963.6619 without restraints) Performing minimization step: 111. Total energy = 36828.5810 kcal/mol (36782.5929 without restraints) Performing minimization step: 112. Total energy = 36649.5827 kcal/mol (36603.8700 without restraints) Performing minimization step: 113. Total energy = 36472.8881 kcal/mol (36427.4453 without restraints) Performing minimization step: 114. Total energy = 36298.4498 kcal/mol (36253.2714 without restraints) Performing minimization step: 115. Total energy = 36126.2228 kcal/mol (36081.3035 without restraints) Performing minimization step: 116. Total energy = 35956.1622 kcal/mol (35911.4968 without restraints) Performing minimization step: 117. Total energy = 35788.2244 kcal/mol (35743.8081 without restraints) Performing minimization step: 118. Total energy = 35622.3677 kcal/mol (35578.1954 without restraints) Performing minimization step: 119. Total energy = 35458.5509 kcal/mol (35414.6179 without restraints) Performing minimization step: 120. Total energy = 35296.7340 kcal/mol (35253.0358 without restraints) Performing minimization step: 121. Total energy = 35136.8783 kcal/mol (35093.4102 without restraints) Performing minimization step: 122. Total energy = 34978.9455 kcal/mol (34935.7033 without restraints) Performing minimization step: 123. Total energy = 34822.8992 kcal/mol (34779.8785 without restraints) Performing minimization step: 124. Total energy = 34668.7025 kcal/mol (34625.8992 without restraints) Performing minimization step: 125. Total energy = 34516.3213 kcal/mol (34473.7313 without restraints) Performing minimization step: 126. Total energy = 34365.7209 kcal/mol (34323.3404 without restraints) Performing minimization step: 127. Total energy = 34216.8685 kcal/mol (34174.6934 without restraints) Performing minimization step: 128. Total energy = 34069.7309 kcal/mol (34027.7575 without restraints) Performing minimization step: 129. Total energy = 33924.2767 kcal/mol (33882.5015 without restraints) Performing minimization step: 130. Total energy = 33780.4751 kcal/mol (33738.8944 without restraints) Performing minimization step: 131. Total energy = 33638.2957 kcal/mol (33596.9061 without restraints) Performing minimization step: 132. Total energy = 33497.7097 kcal/mol (33456.5077 without restraints) Performing minimization step: 133. Total energy = 33358.6881 kcal/mol (33317.6705 without restraints) Performing minimization step: 134. Total energy = 33221.2031 kcal/mol (33180.3666 without restraints) Performing minimization step: 135. Total energy = 33085.2267 kcal/mol (33044.5681 without restraints) Performing minimization step: 136. Total energy = 32950.7334 kcal/mol (32910.2499 without restraints) Performing minimization step: 137. Total energy = 32817.6969 kcal/mol (32777.3852 without restraints) Performing minimization step: 138. Total energy = 32686.0913 kcal/mol (32645.9487 without restraints) Performing minimization step: 139. Total energy = 32555.8920 kcal/mol (32515.9154 without restraints) Performing minimization step: 140. Total energy = 32427.0751 kcal/mol (32387.2619 without restraints) Performing minimization step: 141. Total energy = 32299.6166 kcal/mol (32259.9639 without restraints) Performing minimization step: 142. Total energy = 32173.4941 kcal/mol (32133.9994 without restraints) Performing minimization step: 143. Total energy = 32048.6841 kcal/mol (32009.3448 without restraints) Performing minimization step: 144. Total energy = 31925.1651 kcal/mol (31885.9786 without restraints) Performing minimization step: 145. Total energy = 31802.9156 kcal/mol (31763.8794 without restraints) Performing minimization step: 146. Total energy = 31681.9142 kcal/mol (31643.0260 without restraints) Performing minimization step: 147. Total energy = 31562.1409 kcal/mol (31523.3982 without restraints) Performing minimization step: 148. Total energy = 31443.5750 kcal/mol (31404.9756 without restraints) Performing minimization step: 149. Total energy = 31326.1972 kcal/mol (31287.7388 without restraints) Performing minimization step: 150. Total energy = 31209.9884 kcal/mol (31171.6688 without restraints) Performing minimization step: 151. Total energy = 31094.9294 kcal/mol (31056.7464 without restraints) Performing minimization step: 152. Total energy = 30981.0025 kcal/mol (30942.9540 without restraints) Performing minimization step: 153. Total energy = 30868.1890 kcal/mol (30830.2729 without restraints) Performing minimization step: 154. Total energy = 30756.4711 kcal/mol (30718.6853 without restraints) Performing minimization step: 155. Total energy = 30645.8322 kcal/mol (30608.1748 without restraints) Performing minimization step: 156. Total energy = 30536.2553 kcal/mol (30498.7246 without restraints) Performing minimization step: 157. Total energy = 30427.7238 kcal/mol (30390.3176 without restraints) Performing minimization step: 158. Total energy = 30320.2214 kcal/mol (30282.9379 without restraints) Performing minimization step: 159. Total energy = 30213.7327 kcal/mol (30176.5702 without restraints) Performing minimization step: 160. Total energy = 30108.2417 kcal/mol (30071.1982 without restraints) Performing minimization step: 161. Total energy = 30003.7334 kcal/mol (29966.8074 without restraints) Performing minimization step: 162. Total energy = 29900.1929 kcal/mol (29863.3826 without restraints) Performing minimization step: 163. Total energy = 29797.6058 kcal/mol (29760.9097 without restraints) Performing minimization step: 164. Total energy = 29695.9578 kcal/mol (29659.3739 without restraints) Performing minimization step: 165. Total energy = 29595.2347 kcal/mol (29558.7616 without restraints) Performing minimization step: 166. Total energy = 29495.4229 kcal/mol (29459.0591 without restraints) Performing minimization step: 167. Total energy = 29396.5088 kcal/mol (29360.2527 without restraints) Performing minimization step: 168. Total energy = 29298.4797 kcal/mol (29262.3298 without restraints) Performing minimization step: 169. Total energy = 29201.3222 kcal/mol (29165.2769 without restraints) Performing minimization step: 170. Total energy = 29105.0240 kcal/mol (29069.0821 without restraints) Performing minimization step: 171. Total energy = 29009.5727 kcal/mol (28973.7327 without restraints) Performing minimization step: 172. Total energy = 28914.9561 kcal/mol (28879.2165 without restraints) Performing minimization step: 173. Total energy = 28821.1617 kcal/mol (28785.5214 without restraints) Performing minimization step: 174. Total energy = 28728.1785 kcal/mol (28692.6359 without restraints) Performing minimization step: 175. Total energy = 28635.9949 kcal/mol (28600.5487 without restraints) Performing minimization step: 176. Total energy = 28544.5994 kcal/mol (28509.2484 without restraints) Performing minimization step: 177. Total energy = 28453.9816 kcal/mol (28418.7246 without restraints) Performing minimization step: 178. Total energy = 28364.1300 kcal/mol (28328.9659 without restraints) Performing minimization step: 179. Total energy = 28275.0337 kcal/mol (28239.9609 without restraints) Performing minimization step: 180. Total energy = 28186.6827 kcal/mol (28151.7003 without restraints) Performing minimization step: 181. Total energy = 28099.0667 kcal/mol (28064.1734 without restraints) Performing minimization step: 182. Total energy = 28012.1748 kcal/mol (27977.3694 without restraints) Performing minimization step: 183. Total energy = 27925.9984 kcal/mol (27891.2800 without restraints) Performing minimization step: 184. Total energy = 27840.5274 kcal/mol (27805.8947 without restraints) Performing minimization step: 185. Total energy = 27755.7520 kcal/mol (27721.2040 without restraints) Performing minimization step: 186. Total energy = 27671.6630 kcal/mol (27637.1986 without restraints) Performing minimization step: 187. Total energy = 27588.2510 kcal/mol (27553.8692 without restraints) Performing minimization step: 188. Total energy = 27505.5072 kcal/mol (27471.2070 without restraints) Performing minimization step: 189. Total energy = 27423.4226 kcal/mol (27389.2029 without restraints) Performing minimization step: 190. Total energy = 27341.9883 kcal/mol (27307.8483 without restraints) Performing minimization step: 191. Total energy = 27261.1962 kcal/mol (27227.1347 without restraints) Performing minimization step: 192. Total energy = 27181.0374 kcal/mol (27147.0535 without restraints) Performing minimization step: 193. Total energy = 27101.5037 kcal/mol (27067.5967 without restraints) Performing minimization step: 194. Total energy = 27022.5870 kcal/mol (26988.7557 without restraints) Performing minimization step: 195. Total energy = 26944.2794 kcal/mol (26910.5231 without restraints) Performing minimization step: 196. Total energy = 26866.5727 kcal/mol (26832.8903 without restraints) Performing minimization step: 197. Total energy = 26789.4594 kcal/mol (26755.8501 without restraints) Performing minimization step: 198. Total energy = 26712.9319 kcal/mol (26679.3949 without restraints) Performing minimization step: 199. Total energy = 26636.9829 kcal/mol (26603.5173 without restraints) Performing minimization step: 200. Total energy = 26561.6047 kcal/mol (26528.2098 without restraints) Writing PDB file: /home/ubuntu/rna-tools/rna_tools/tools/webserver-engine/media/jobs/2d335455/tmp/BKL10Csep8M-d00ec2c2_sim_minE_TOTAL-000001_AA_refx/BKL10Csep8M-d00ec2c2_sim_minE_TOTAL-000001_AA_refx.pdb ...Done. Performing minimization step: 201. Total energy = 26486.7905 kcal/mol (26453.4652 without restraints) Performing minimization step: 202. Total energy = 26412.5324 kcal/mol (26379.2763 without restraints) Performing minimization step: 203. Total energy = 26338.8240 kcal/mol (26305.6361 without restraints) Performing minimization step: 204. Total energy = 26265.6581 kcal/mol (26232.5375 without restraints) Performing minimization step: 205. Total energy = 26193.0282 kcal/mol (26159.9746 without restraints) Performing minimization step: 206. Total energy = 26120.9275 kcal/mol (26087.9397 without restraints) Performing minimization step: 207. Total energy = 26049.3495 kcal/mol (26016.4269 without restraints) Performing minimization step: 208. Total energy = 25978.2877 kcal/mol (25945.4296 without restraints) Performing minimization step: 209. Total energy = 25907.7359 kcal/mol (25874.9417 without restraints) Performing minimization step: 210. Total energy = 25837.6875 kcal/mol (25804.9563 without restraints) Performing minimization step: 211. Total energy = 25768.1366 kcal/mol (25735.4678 without restraints) Performing minimization step: 212. Total energy = 25699.0773 kcal/mol (25666.4702 without restraints) Performing minimization step: 213. Total energy = 25630.5037 kcal/mol (25597.9577 without restraints) Performing minimization step: 214. Total energy = 25562.4092 kcal/mol (25529.9235 without restraints) Performing minimization step: 215. Total energy = 25494.7884 kcal/mol (25462.3625 without restraints) Performing minimization step: 216. Total energy = 25427.6359 kcal/mol (25395.2692 without restraints) Performing minimization step: 217. Total energy = 25360.9451 kcal/mol (25328.6368 without restraints) Performing minimization step: 218. Total energy = 25294.7117 kcal/mol (25262.4614 without restraints) Performing minimization step: 219. Total energy = 25228.9300 kcal/mol (25196.7370 without restraints) Performing minimization step: 220. Total energy = 25163.5944 kcal/mol (25131.4581 without restraints) Performing minimization step: 221. Total energy = 25098.6998 kcal/mol (25066.6196 without restraints) Performing minimization step: 222. Total energy = 25034.2410 kcal/mol (25002.2164 without restraints) Performing minimization step: 223. Total energy = 24970.2127 kcal/mol (24938.2430 without restraints) Performing minimization step: 224. Total energy = 24906.6097 kcal/mol (24874.6945 without restraints) Performing minimization step: 225. Total energy = 24843.4275 kcal/mol (24811.5662 without restraints) Performing minimization step: 226. Total energy = 24780.6609 kcal/mol (24748.8529 without restraints) Performing minimization step: 227. Total energy = 24718.3056 kcal/mol (24686.5505 without restraints) Performing minimization step: 228. Total energy = 24656.3563 kcal/mol (24624.6534 without restraints) Performing minimization step: 229. Total energy = 24594.8084 kcal/mol (24563.1574 without restraints) Performing minimization step: 230. Total energy = 24533.6573 kcal/mol (24502.0576 without restraints) Performing minimization step: 231. Total energy = 24472.8984 kcal/mol (24441.3495 without restraints) Performing minimization step: 232. Total energy = 24412.5277 kcal/mol (24381.0290 without restraints) Performing minimization step: 233. Total energy = 24352.5402 kcal/mol (24321.0913 without restraints) Performing minimization step: 234. Total energy = 24292.9320 kcal/mol (24261.5326 without restraints) Performing minimization step: 235. Total energy = 24233.6987 kcal/mol (24202.3481 without restraints) Performing minimization step: 236. Total energy = 24174.8361 kcal/mol (24143.5339 without restraints) Performing minimization step: 237. Total energy = 24116.3399 kcal/mol (24085.0856 without restraints) Performing minimization step: 238. Total energy = 24058.2060 kcal/mol (24026.9993 without restraints) Performing minimization step: 239. Total energy = 24000.4303 kcal/mol (23969.2706 without restraints) Performing minimization step: 240. Total energy = 23943.0091 kcal/mol (23911.8961 without restraints) Performing minimization step: 241. Total energy = 23885.9385 kcal/mol (23854.8717 without restraints) Performing minimization step: 242. Total energy = 23829.2141 kcal/mol (23798.1931 without restraints) Performing minimization step: 243. Total energy = 23772.8327 kcal/mol (23741.8571 without restraints) Performing minimization step: 244. Total energy = 23716.7903 kcal/mol (23685.8597 without restraints) Performing minimization step: 245. Total energy = 23661.0830 kcal/mol (23630.1969 without restraints) Performing minimization step: 246. Total energy = 23605.7074 kcal/mol (23574.8655 without restraints) Performing minimization step: 247. Total energy = 23550.6601 kcal/mol (23519.8620 without restraints) Performing minimization step: 248. Total energy = 23495.9372 kcal/mol (23465.1825 without restraints) Performing minimization step: 249. Total energy = 23441.5350 kcal/mol (23410.8233 without restraints) Performing minimization step: 250. Total energy = 23387.4500 kcal/mol (23356.7810 without restraints) Performing minimization step: 251. Total energy = 23333.6794 kcal/mol (23303.0526 without restraints) Performing minimization step: 252. Total energy = 23280.2194 kcal/mol (23249.6346 without restraints) Performing minimization step: 253. Total energy = 23227.0668 kcal/mol (23196.5236 without restraints) Performing minimization step: 254. Total energy = 23174.2185 kcal/mol (23143.7163 without restraints) Performing minimization step: 255. Total energy = 23121.6712 kcal/mol (23091.2100 without restraints) Performing minimization step: 256. Total energy = 23069.4213 kcal/mol (23039.0007 without restraints) Performing minimization step: 257. Total energy = 23017.4661 kcal/mol (22987.0857 without restraints) Performing minimization step: 258. Total energy = 22965.8022 kcal/mol (22935.4617 without restraints) Performing minimization step: 259. Total energy = 22914.4268 kcal/mol (22884.1259 without restraints) Performing minimization step: 260. Total energy = 22863.3366 kcal/mol (22833.0748 without restraints) Performing minimization step: 261. Total energy = 22812.5289 kcal/mol (22782.3060 without restraints) Performing minimization step: 262. Total energy = 22762.0007 kcal/mol (22731.8162 without restraints) Performing minimization step: 263. Total energy = 22711.7489 kcal/mol (22681.6029 without restraints) Performing minimization step: 264. Total energy = 22661.7712 kcal/mol (22631.6633 without restraints) Performing minimization step: 265. Total energy = 22612.0641 kcal/mol (22581.9937 without restraints) Performing minimization step: 266. Total energy = 22562.6252 kcal/mol (22532.5922 without restraints) Performing minimization step: 267. Total energy = 22513.4516 kcal/mol (22483.4557 without restraints) Performing minimization step: 268. Total energy = 22464.5407 kcal/mol (22434.5816 without restraints) Performing minimization step: 269. Total energy = 22415.8895 kcal/mol (22385.9670 without restraints) Performing minimization step: 270. Total energy = 22367.4959 kcal/mol (22337.6096 without restraints) Performing minimization step: 271. Total energy = 22319.3569 kcal/mol (22289.5067 without restraints) Performing minimization step: 272. Total energy = 22271.4703 kcal/mol (22241.6557 without restraints) Performing minimization step: 273. Total energy = 22223.8333 kcal/mol (22194.0542 without restraints) Performing minimization step: 274. Total energy = 22176.4434 kcal/mol (22146.6994 without restraints) Performing minimization step: 275. Total energy = 22129.2983 kcal/mol (22099.5892 without restraints) Performing minimization step: 276. Total energy = 22082.3953 kcal/mol (22052.7209 without restraints) Performing minimization step: 277. Total energy = 22035.7321 kcal/mol (22006.0921 without restraints) Performing minimization step: 278. Total energy = 21989.3063 kcal/mol (21959.7003 without restraints) Performing minimization step: 279. Total energy = 21943.1161 kcal/mol (21913.5442 without restraints) Performing minimization step: 280. Total energy = 21897.1583 kcal/mol (21867.6201 without restraints) Performing minimization step: 281. Total energy = 21851.4310 kcal/mol (21821.9262 without restraints) Performing minimization step: 282. Total energy = 21805.9319 kcal/mol (21776.4603 without restraints) Performing minimization step: 283. Total energy = 21760.6591 kcal/mol (21731.2205 without restraints) Performing minimization step: 284. Total energy = 21715.6101 kcal/mol (21686.2043 without restraints) Performing minimization step: 285. Total energy = 21670.7825 kcal/mol (21641.4092 without restraints) Performing minimization step: 286. Total energy = 21626.1746 kcal/mol (21596.8336 without restraints) Performing minimization step: 287. Total energy = 21581.7842 kcal/mol (21552.4753 without restraints) Performing minimization step: 288. Total energy = 21537.6091 kcal/mol (21508.3320 without restraints) Performing minimization step: 289. Total energy = 21493.6468 kcal/mol (21464.4013 without restraints) Performing minimization step: 290. Total energy = 21449.8958 kcal/mol (21420.6819 without restraints) Performing minimization step: 291. Total energy = 21406.3541 kcal/mol (21377.1713 without restraints) Performing minimization step: 292. Total energy = 21363.0199 kcal/mol (21333.8680 without restraints) Performing minimization step: 293. Total energy = 21319.8906 kcal/mol (21290.7697 without restraints) Performing minimization step: 294. Total energy = 21276.9651 kcal/mol (21247.8751 without restraints) Performing minimization step: 295. Total energy = 21234.2410 kcal/mol (21205.1812 without restraints) Performing minimization step: 296. Total energy = 21191.7161 kcal/mol (21162.6866 without restraints) Performing minimization step: 297. Killed /home/ubuntu/rna-tools//opt/qrnas/ Save to BKL10Csep8M-d00ec2c2_sim_minE_TOTAL-000001_AA_refx.pdb DONE!