============================================================================= Reading config file: /home/ubuntu/rna-tools/rna_tools/tools/webserver-engine/media/jobs/25668cfc/tmp/4frg_modified-coot-4_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/25668cfc/tmp/4frg_modified-coot-4_refx/4frg_modified-coot-4.pdb ============================================================================= Atom's 1800 OP2 residue renamed to RA3 Atom's 1799 OP1 residue renamed to RA3 Atom's 1798 N9 residue renamed to RA3 Atom's 1797 C8 residue renamed to RA3 Atom's 1796 N7 residue renamed to RA3 Atom's 1795 N6 residue renamed to RA3 Atom's 1794 C6 residue renamed to RA3 Atom's 1793 C5 residue renamed to RA3 Atom's 1792 C4 residue renamed to RA3 Atom's 1791 N3 residue renamed to RA3 Atom's 1790 C2 residue renamed to RA3 Atom's 1789 N1 residue renamed to RA3 Atom's 1788 C1' residue renamed to RA3 Atom's 1787 O2' residue renamed to RA3 Atom's 1786 C2' residue renamed to RA3 Atom's 1785 O3' residue renamed to RA3 Atom's 1784 C3' residue renamed to RA3 Atom's 1783 O4' residue renamed to RA3 Atom's 1782 C4' residue renamed to RA3 Atom's 1781 O5' residue renamed to RA3 Atom's 1780 C5' residue renamed to RA3 Atom's 1779 P residue renamed to RA3 Missing atom added: ATOM 24 H5'1 G B 1 -0.114 -78.007 18.275 1.00 0.00 H Missing atom added: ATOM 25 H5'2 G B 1 1.221 -76.735 18.446 1.00 0.00 H Missing atom added: ATOM 26 H4' G B 1 -0.792 -75.944 17.549 1.00 0.00 H Missing atom added: ATOM 27 H3' G B 1 -0.412 -75.030 20.451 1.00 0.00 H Missing atom added: ATOM 30 H1' G B 1 -3.877 -75.647 19.021 1.00 0.00 H Missing atom added: ATOM 28 H2' G B 1 -2.362 -73.656 20.203 1.00 0.00 H Missing atom added: ATOM 29 HO'2 G B 1 -1.813 -73.655 17.714 1.00 0.00 H Missing atom added: ATOM 31 H8 G B 1 -1.853 -77.687 21.283 1.00 0.00 H Missing atom added: ATOM 34 H1 G B 1 -7.140 -74.686 24.491 1.00 0.00 H Missing atom added: ATOM 32 H21 G B 1 -6.835 -72.886 21.320 1.00 0.00 H Missing atom added: ATOM 33 H22 G B 1 -7.278 -72.879 22.934 1.00 0.00 H Missing atom added: ATOM 24 H5'1 G B 2 -1.104 -71.511 18.744 1.00 0.00 H Missing atom added: ATOM 25 H5'2 G B 2 0.157 -70.262 19.277 1.00 0.00 H Missing atom added: ATOM 26 H4' G B 2 -1.958 -69.443 19.507 1.00 0.00 H Missing atom added: ATOM 27 H3' G B 2 -0.569 -70.114 22.176 1.00 0.00 H Missing atom added: ATOM 30 H1' G B 2 -4.345 -70.277 21.809 1.00 0.00 H Missing atom added: ATOM 28 H2' G B 2 -2.379 -69.034 23.316 1.00 0.00 H Missing atom added: ATOM 29 HO'2 G B 2 -2.665 -67.677 21.182 1.00 0.00 H Missing atom added: ATOM 31 H8 G B 2 -1.741 -72.881 21.975 1.00 0.00 H Missing atom added: ATOM 34 H1 G B 2 -5.808 -72.810 27.513 1.00 0.00 H Missing atom added: ATOM 32 H21 G B 2 -6.490 -69.635 25.828 1.00 0.00 H Missing atom added: ATOM 33 H22 G B 2 -6.434 -70.525 27.244 1.00 0.00 H Missing atom added: ATOM 21 H5'1 C B 3 1.001 -67.495 25.176 1.00 0.00 H Missing atom added: ATOM 22 H5'2 C B 3 -0.405 -68.687 24.986 1.00 0.00 H Missing atom added: ATOM 23 H4' C B 3 -1.020 -67.950 26.682 1.00 0.00 H Missing atom added: ATOM 24 H3' C B 3 -0.284 -68.011 27.641 1.00 0.00 H Missing atom added: ATOM 27 H1' C B 3 -3.805 -69.059 26.772 1.00 0.00 H Missing atom added: ATOM 25 H2' C B 3 -2.314 -68.048 28.875 1.00 0.00 H Missing atom added: ATOM 26 HO'2 C B 3 -3.032 -66.077 27.431 1.00 0.00 H Missing atom added: ATOM 30 H6 C B 3 -0.717 -70.419 26.002 1.00 0.00 H Missing atom added: ATOM 28 H41 C B 3 -0.358 -74.580 28.231 1.00 0.00 H Missing atom added: ATOM 29 H42 C B 3 -1.697 -74.536 29.296 1.00 0.00 H Missing atom added: ATOM 31 H5 C B 3 0.465 -72.810 26.496 1.00 0.00 H Missing atom added: ATOM 21 H5'1 C B 4 -2.224 -65.202 29.732 1.00 0.00 H Missing atom added: ATOM 22 H5'2 C B 4 -1.041 -64.335 30.866 1.00 0.00 H Missing atom added: ATOM 23 H4' C B 4 -2.853 -65.024 32.023 1.00 0.00 H Missing atom added: ATOM 24 H3' C B 4 -0.250 -66.528 32.649 1.00 0.00 H Missing atom added: ATOM 27 H1' C B 4 -3.614 -68.234 33.011 1.00 0.00 H Missing atom added: ATOM 25 H2' C B 4 -1.362 -67.585 34.484 1.00 0.00 H Missing atom added: ATOM 26 HO'2 C B 4 -2.888 -65.545 34.494 1.00 0.00 H Missing atom added: ATOM 30 H6 C B 4 -1.138 -68.292 30.560 1.00 0.00 H Missing atom added: ATOM 28 H41 C B 4 0.607 -72.695 30.419 1.00 0.00 H Missing atom added: ATOM 29 H42 C B 4 -0.072 -73.398 31.825 1.00 0.00 H Missing atom added: ATOM 31 H5 C B 4 0.352 -70.280 29.459 1.00 0.00 H Missing atom added: ATOM 21 H5'1 U B 5 -1.251 -65.414 36.328 1.00 0.00 H Missing atom added: ATOM 22 H5'2 U B 5 0.200 -64.679 37.215 1.00 0.00 H Missing atom added: ATOM 23 H4' U B 5 -0.840 -66.296 38.465 1.00 0.00 H Missing atom added: ATOM 24 H3' U B 5 1.891 -67.165 37.359 1.00 0.00 H Missing atom added: ATOM 27 H1' U B 5 -0.877 -69.692 38.004 1.00 0.00 H Missing atom added: ATOM 25 H2' U B 5 1.738 -69.135 38.729 1.00 0.00 H Missing atom added: ATOM 26 HO'2 U B 5 0.231 -67.738 40.232 1.00 0.00 H Missing atom added: ATOM 29 H6 U B 5 0.599 -68.101 35.215 1.00 0.00 H Missing atom added: ATOM 30 H3 U B 5 1.389 -73.242 35.550 1.00 0.00 H Missing atom added: ATOM 28 H5 U B 5 1.601 -69.267 33.246 1.00 0.00 H Missing atom added: ATOM 23 H5'1 A B 6 2.567 -68.035 41.075 1.00 0.00 H Missing atom added: ATOM 24 H5'2 A B 6 4.198 -67.360 41.640 1.00 0.00 H Missing atom added: ATOM 25 H4' A B 6 3.940 -69.598 42.130 1.00 0.00 H Missing atom added: ATOM 26 H3' A B 6 5.982 -69.067 39.928 1.00 0.00 H Missing atom added: ATOM 29 H1' A B 6 3.929 -72.290 40.013 1.00 0.00 H Missing atom added: ATOM 27 H2' A B 6 6.570 -71.400 40.016 1.00 0.00 H Missing atom added: ATOM 28 HO'2 A B 6 5.734 -71.324 42.414 1.00 0.00 H Missing atom added: ATOM 30 H8 A B 6 3.924 -69.291 37.847 1.00 0.00 H Missing atom added: ATOM 31 H61 A B 6 4.710 -71.603 33.585 1.00 0.00 H Missing atom added: ATOM 32 H62 A B 6 4.998 -73.242 33.198 1.00 0.00 H Missing atom added: ATOM 33 H2 A B 6 5.277 -75.931 37.113 1.00 0.00 H Missing atom added: ATOM 23 H5'1 A B 7 7.431 -69.922 44.015 1.00 0.00 H Missing atom added: ATOM 24 H5'2 A B 7 6.821 -68.229 44.460 1.00 0.00 H Missing atom added: ATOM 25 H4' A B 7 7.379 -68.750 46.284 1.00 0.00 H Missing atom added: ATOM 26 H3' A B 7 8.532 -66.306 44.739 1.00 0.00 H Missing atom added: ATOM 29 H1' A B 7 10.418 -67.966 47.576 1.00 0.00 H Missing atom added: ATOM 27 H2' A B 7 9.429 -65.508 46.807 1.00 0.00 H Missing atom added: ATOM 28 HO'2 A B 7 7.523 -66.789 47.915 1.00 0.00 H Missing atom added: ATOM 30 H8 A B 7 10.743 -68.250 43.931 1.00 0.00 H Missing atom added: ATOM 31 H61 A B 7 15.108 -66.143 43.315 1.00 0.00 H Missing atom added: ATOM 32 H62 A B 7 16.155 -65.311 44.377 1.00 0.00 H Missing atom added: ATOM 33 H2 A B 7 14.271 -64.960 48.740 1.00 0.00 H Missing atom added: ATOM 23 H5'1 A B 8 6.395 -62.084 46.827 1.00 0.00 H Missing atom added: ATOM 24 H5'2 A B 8 8.158 -62.246 46.277 1.00 0.00 H Missing atom added: ATOM 25 H4' A B 8 8.732 -61.090 47.442 1.00 0.00 H Missing atom added: ATOM 26 H3' A B 8 9.251 -60.928 45.722 1.00 0.00 H Missing atom added: ATOM 29 H1' A B 8 11.723 -63.066 47.637 1.00 0.00 H Missing atom added: ATOM 27 H2' A B 8 11.498 -60.572 46.442 1.00 0.00 H Missing atom added: ATOM 28 HO'2 A B 8 10.538 -60.372 48.782 1.00 0.00 H Missing atom added: ATOM 30 H8 A B 8 9.574 -64.157 44.961 1.00 0.00 H Missing atom added: ATOM 31 H61 A B 8 12.773 -64.407 41.251 1.00 0.00 H Missing atom added: ATOM 32 H62 A B 8 14.382 -63.864 41.077 1.00 0.00 H Missing atom added: ATOM 33 H2 A B 8 15.918 -61.677 45.018 1.00 0.00 H Missing atom added: ATOM 23 H5'1 A B 9 10.906 -58.008 46.837 1.00 0.00 H Missing atom added: ATOM 24 H5'2 A B 9 10.072 -56.410 46.405 1.00 0.00 H Missing atom added: ATOM 25 H4' A B 9 12.359 -56.666 45.759 1.00 0.00 H Missing atom added: ATOM 26 H3' A B 9 10.510 -56.939 43.352 1.00 0.00 H Missing atom added: ATOM 29 H1' A B 9 13.736 -58.935 43.543 1.00 0.00 H Missing atom added: ATOM 27 H2' A B 9 12.438 -57.072 41.940 1.00 0.00 H Missing atom added: ATOM 28 HO'2 A B 9 13.642 -55.785 43.766 1.00 0.00 H Missing atom added: ATOM 30 H8 A B 9 10.192 -59.878 43.919 1.00 0.00 H Missing atom added: ATOM 31 H61 A B 9 9.847 -62.908 40.071 1.00 0.00 H Missing atom added: ATOM 32 H62 A B 9 10.919 -63.280 38.795 1.00 0.00 H Missing atom added: ATOM 33 H2 A B 9 14.958 -60.779 39.131 1.00 0.00 H Missing atom added: ATOM 24 H5'1 G B 10 12.649 -54.404 41.451 1.00 0.00 H Missing atom added: ATOM 25 H5'2 G B 10 11.563 -53.069 40.764 1.00 0.00 H Missing atom added: ATOM 26 H4' G B 10 12.857 -54.205 39.164 1.00 0.00 H Missing atom added: ATOM 27 H3' G B 10 9.913 -54.771 38.951 1.00 0.00 H Missing atom added: ATOM 30 H1' G B 10 12.390 -57.514 38.123 1.00 0.00 H Missing atom added: ATOM 28 H2' G B 10 10.335 -56.051 36.980 1.00 0.00 H Missing atom added: ATOM 29 HO'2 G B 10 12.457 -54.671 36.753 1.00 0.00 H Missing atom added: ATOM 31 H8 G B 10 9.994 -56.818 40.895 1.00 0.00 H Missing atom added: ATOM 34 H1 G B 10 8.435 -62.461 37.297 1.00 0.00 H Missing atom added: ATOM 32 H21 G B 10 10.989 -60.767 35.302 1.00 0.00 H Missing atom added: ATOM 33 H22 G B 10 9.656 -61.775 35.365 1.00 0.00 H Missing atom added: ATOM 21 H5'1 C B 11 7.063 -52.437 36.267 1.00 0.00 H Missing atom added: ATOM 22 H5'2 C B 11 6.786 -53.629 37.660 1.00 0.00 H Missing atom added: ATOM 23 H4' C B 11 5.638 -53.718 35.441 1.00 0.00 H Missing atom added: ATOM 24 H3' C B 11 7.805 -55.783 35.369 1.00 0.00 H Missing atom added: ATOM 27 H1' C B 11 7.130 -53.693 32.273 1.00 0.00 H Missing atom added: ATOM 25 H2' C B 11 7.162 -56.335 33.136 1.00 0.00 H Missing atom added: ATOM 26 HO'2 C B 11 4.893 -55.377 33.742 1.00 0.00 H Missing atom added: ATOM 30 H6 C B 11 9.594 -53.733 34.767 1.00 0.00 H Missing atom added: ATOM 28 H41 C B 11 13.716 -54.592 32.602 1.00 0.00 H Missing atom added: ATOM 29 H42 C B 11 13.214 -55.006 31.019 1.00 0.00 H Missing atom added: ATOM 31 H5 C B 11 12.302 -53.922 34.692 1.00 0.00 H Missing atom added: ATOM 23 H5'1 A B 12 5.726 -60.353 35.177 1.00 0.00 H Missing atom added: ATOM 24 H5'2 A B 12 7.415 -59.886 34.572 1.00 0.00 H Missing atom added: ATOM 25 H4' A B 12 7.297 -61.097 33.248 1.00 0.00 H Missing atom added: ATOM 26 H3' A B 12 8.699 -61.161 34.172 1.00 0.00 H Missing atom added: ATOM 29 H1' A B 12 9.132 -58.907 31.155 1.00 0.00 H Missing atom added: ATOM 27 H2' A B 12 9.966 -61.357 32.166 1.00 0.00 H Missing atom added: ATOM 28 HO'2 A B 12 7.745 -61.734 30.998 1.00 0.00 H Missing atom added: ATOM 30 H8 A B 12 9.095 -57.881 34.600 1.00 0.00 H Missing atom added: ATOM 31 H61 A B 12 13.838 -56.863 35.254 1.00 0.00 H Missing atom added: ATOM 32 H62 A B 12 15.214 -57.071 34.264 1.00 0.00 H Missing atom added: ATOM 33 H2 A B 12 14.113 -59.336 30.224 1.00 0.00 H Missing atom added: ATOM 21 H5'1 U B 13 10.184 -63.952 34.832 1.00 0.00 H Missing atom added: ATOM 22 H5'2 U B 13 9.998 -63.719 33.003 1.00 0.00 H Missing atom added: ATOM 23 H4' U B 13 11.642 -65.280 33.665 1.00 0.00 H Missing atom added: ATOM 24 H3' U B 13 10.231 -66.205 35.882 1.00 0.00 H Missing atom added: ATOM 27 H1' U B 13 13.459 -66.640 34.659 1.00 0.00 H Missing atom added: ATOM 25 H2' U B 13 11.354 -66.827 36.834 1.00 0.00 H Missing atom added: ATOM 26 HO'2 U B 13 11.228 -68.184 36.517 1.00 0.00 H Missing atom added: ATOM 29 H6 U B 13 15.218 -66.228 34.768 1.00 0.00 H Missing atom added: ATOM 30 H3 U B 13 13.984 -61.804 37.234 1.00 0.00 H Missing atom added: ATOM 28 H5 U B 13 17.077 -64.808 35.640 1.00 0.00 H Missing atom added: ATOM 23 H5'1 A B 14 7.824 -68.904 36.560 1.00 0.00 H Missing atom added: ATOM 24 H5'2 A B 14 9.646 -69.036 36.876 1.00 0.00 H Missing atom added: ATOM 25 H4' A B 14 8.754 -70.251 38.412 1.00 0.00 H Missing atom added: ATOM 26 H3' A B 14 10.568 -71.530 36.306 1.00 0.00 H Missing atom added: ATOM 29 H1' A B 14 7.856 -73.573 37.941 1.00 0.00 H Missing atom added: ATOM 27 H2' A B 14 10.590 -73.539 37.595 1.00 0.00 H Missing atom added: ATOM 28 HO'2 A B 14 10.071 -72.041 39.594 1.00 0.00 H Missing atom added: ATOM 30 H8 A B 14 7.924 -71.986 34.667 1.00 0.00 H Missing atom added: ATOM 31 H61 A B 14 8.746 -75.807 31.745 1.00 0.00 H Missing atom added: ATOM 32 H62 A B 14 9.162 -77.435 32.049 1.00 0.00 H Missing atom added: ATOM 33 H2 A B 14 9.687 -78.244 36.713 1.00 0.00 H Missing atom added: ATOM 24 H5'1 G B 15 12.795 -73.082 38.807 1.00 0.00 H Missing atom added: ATOM 25 H5'2 G B 15 14.553 -72.673 38.394 1.00 0.00 H Missing atom added: ATOM 26 H4' G B 15 14.220 -74.932 38.396 1.00 0.00 H Missing atom added: ATOM 27 H3' G B 15 14.959 -73.697 35.775 1.00 0.00 H Missing atom added: ATOM 30 H1' G B 15 12.646 -76.695 35.798 1.00 0.00 H Missing atom added: ATOM 28 H2' G B 15 15.108 -75.878 34.820 1.00 0.00 H Missing atom added: ATOM 29 HO'2 G B 15 15.471 -76.701 37.200 1.00 0.00 H Missing atom added: ATOM 31 H8 G B 15 11.839 -73.186 35.259 1.00 0.00 H Missing atom added: ATOM 34 H1 G B 15 11.605 -76.812 29.426 1.00 0.00 H Missing atom added: ATOM 32 H21 G B 15 13.404 -78.961 31.779 1.00 0.00 H Missing atom added: ATOM 33 H22 G B 15 13.133 -78.480 30.199 1.00 0.00 H Missing atom added: ATOM 21 H5'1 U B 16 17.681 -76.629 36.067 1.00 0.00 H Missing atom added: ATOM 22 H5'2 U B 16 19.388 -75.971 35.774 1.00 0.00 H Missing atom added: ATOM 23 H4' U B 16 19.075 -77.806 34.523 1.00 0.00 H Missing atom added: ATOM 24 H3' U B 16 19.108 -75.146 32.924 1.00 0.00 H Missing atom added: ATOM 27 H1' U B 16 17.240 -78.219 31.694 1.00 0.00 H Missing atom added: ATOM 25 H2' U B 16 19.220 -76.450 30.907 1.00 0.00 H Missing atom added: ATOM 26 HO'2 U B 16 20.339 -78.227 32.347 1.00 0.00 H Missing atom added: ATOM 29 H6 U B 16 16.413 -75.160 33.246 1.00 0.00 H Missing atom added: ATOM 30 H3 U B 16 14.845 -75.625 28.298 1.00 0.00 H Missing atom added: ATOM 28 H5 U B 16 14.831 -73.448 32.349 1.00 0.00 H Missing atom added: ATOM 24 H5'1 G B 17 22.182 -76.900 30.920 1.00 0.00 H Missing atom added: ATOM 25 H5'2 G B 17 23.485 -75.608 30.665 1.00 0.00 H Missing atom added: ATOM 26 H4' G B 17 22.821 -76.752 28.730 1.00 0.00 H Missing atom added: ATOM 27 H3' G B 17 22.043 -73.884 28.701 1.00 0.00 H Missing atom added: ATOM 30 H1' G B 17 19.739 -76.452 27.095 1.00 0.00 H Missing atom added: ATOM 28 H2' G B 17 21.217 -74.213 26.459 1.00 0.00 H Missing atom added: ATOM 29 HO'2 G B 17 22.812 -76.200 26.374 1.00 0.00 H Missing atom added: ATOM 31 H8 G B 17 19.365 -74.610 30.220 1.00 0.00 H Missing atom added: ATOM 34 H1 G B 17 15.545 -71.821 25.233 1.00 0.00 H Missing atom added: ATOM 32 H21 G B 17 17.923 -73.986 23.484 1.00 0.00 H Missing atom added: ATOM 33 H22 G B 17 16.958 -72.620 23.478 1.00 0.00 H Missing atom added: ATOM 24 H5'1 G B 18 23.880 -74.480 25.071 1.00 0.00 H Missing atom added: ATOM 25 H5'2 G B 18 25.017 -73.059 24.726 1.00 0.00 H Missing atom added: ATOM 26 H4' G B 18 23.562 -73.680 22.971 1.00 0.00 H Missing atom added: ATOM 27 H3' G B 18 23.210 -70.991 23.859 1.00 0.00 H Missing atom added: ATOM 30 H1' G B 18 20.069 -72.969 22.974 1.00 0.00 H Missing atom added: ATOM 28 H2' G B 18 21.495 -70.724 22.195 1.00 0.00 H Missing atom added: ATOM 29 HO'2 G B 18 22.559 -72.728 21.046 1.00 0.00 H Missing atom added: ATOM 31 H8 G B 18 21.116 -72.106 26.297 1.00 0.00 H Missing atom added: ATOM 34 H1 G B 18 16.073 -67.968 24.128 1.00 0.00 H Missing atom added: ATOM 32 H21 G B 18 17.344 -69.547 21.080 1.00 0.00 H Missing atom added: ATOM 33 H22 G B 18 16.629 -68.223 21.814 1.00 0.00 H Missing atom added: ATOM 24 H5'1 G B 19 24.483 -68.103 19.916 1.00 0.00 H Missing atom added: ATOM 25 H5'2 G B 19 23.044 -67.894 21.064 1.00 0.00 H Missing atom added: ATOM 26 H4' G B 19 22.111 -67.026 19.820 1.00 0.00 H Missing atom added: ATOM 27 H3' G B 19 22.359 -65.984 20.742 1.00 0.00 H Missing atom added: ATOM 30 H1' G B 19 19.254 -68.055 21.422 1.00 0.00 H Missing atom added: ATOM 28 H2' G B 19 20.032 -65.488 20.691 1.00 0.00 H Missing atom added: ATOM 29 HO'2 G B 19 19.953 -66.900 18.579 1.00 0.00 H Missing atom added: ATOM 31 H8 G B 19 22.103 -68.350 23.458 1.00 0.00 H Missing atom added: ATOM 34 H1 G B 19 17.459 -64.273 26.440 1.00 0.00 H Missing atom added: ATOM 32 H21 G B 19 16.442 -64.393 22.936 1.00 0.00 H Missing atom added: ATOM 33 H22 G B 19 16.494 -63.559 24.385 1.00 0.00 H Missing atom added: ATOM 23 H5'1 A B 20 21.942 -63.248 20.172 1.00 0.00 H Missing atom added: ATOM 24 H5'2 A B 20 21.965 -62.329 18.562 1.00 0.00 H Missing atom added: ATOM 25 H4' A B 20 23.072 -61.084 20.006 1.00 0.00 H Missing atom added: ATOM 26 H3' A B 20 24.778 -62.545 17.824 1.00 0.00 H Missing atom added: ATOM 29 H1' A B 20 26.247 -61.500 21.143 1.00 0.00 H Missing atom added: ATOM 27 H2' A B 20 26.640 -61.193 18.410 1.00 0.00 H Missing atom added: ATOM 28 HO'2 A B 20 24.943 -59.451 19.134 1.00 0.00 H Missing atom added: ATOM 30 H8 A B 20 25.423 -64.408 18.827 1.00 0.00 H Missing atom added: ATOM 31 H61 A B 20 29.294 -67.182 19.950 1.00 0.00 H Missing atom added: ATOM 32 H62 A B 20 30.561 -66.994 21.080 1.00 0.00 H Missing atom added: ATOM 33 H2 A B 20 30.247 -62.834 23.370 1.00 0.00 H Missing atom added: ATOM 23 H5'1 A B 21 21.894 -60.355 14.168 1.00 0.00 H Missing atom added: ATOM 24 H5'2 A B 21 23.475 -61.312 14.036 1.00 0.00 H Missing atom added: ATOM 25 H4' A B 21 22.592 -59.826 12.235 1.00 0.00 H Missing atom added: ATOM 26 H3' A B 21 24.596 -58.156 13.886 1.00 0.00 H Missing atom added: ATOM 29 H1' A B 21 21.473 -56.582 12.441 1.00 0.00 H Missing atom added: ATOM 27 H2' A B 21 24.240 -56.319 12.423 1.00 0.00 H Missing atom added: ATOM 28 HO'2 A B 21 23.622 -58.047 10.672 1.00 0.00 H Missing atom added: ATOM 30 H8 A B 21 22.893 -57.587 15.773 1.00 0.00 H Missing atom added: ATOM 31 H61 A B 21 21.912 -53.413 18.149 1.00 0.00 H Missing atom added: ATOM 32 H62 A B 21 21.135 -51.970 17.671 1.00 0.00 H Missing atom added: ATOM 33 H2 A B 21 20.033 -52.047 13.042 1.00 0.00 H Missing atom added: ATOM 23 H5'1 A B 22 25.734 -57.038 10.151 1.00 0.00 H Missing atom added: ATOM 24 H5'2 A B 22 27.563 -57.262 9.951 1.00 0.00 H Missing atom added: ATOM 25 H4' A B 22 26.449 -55.213 9.182 1.00 0.00 H Missing atom added: ATOM 26 H3' A B 22 27.951 -54.668 11.735 1.00 0.00 H Missing atom added: ATOM 29 H1' A B 22 24.628 -52.968 11.165 1.00 0.00 H Missing atom added: ATOM 27 H2' A B 22 27.301 -52.389 11.626 1.00 0.00 H Missing atom added: ATOM 28 HO'2 A B 22 27.018 -52.750 9.134 1.00 0.00 H Missing atom added: ATOM 30 H8 A B 22 26.407 -55.429 13.427 1.00 0.00 H Missing atom added: ATOM 31 H61 A B 22 24.595 -53.733 17.658 1.00 0.00 H Missing atom added: ATOM 32 H62 A B 22 23.478 -52.493 18.021 1.00 0.00 H Missing atom added: ATOM 33 H2 A B 22 22.129 -50.170 14.090 1.00 0.00 H Missing atom added: ATOM 24 H5'1 G B 23 31.785 -51.631 11.010 1.00 0.00 H Missing atom added: ATOM 25 H5'2 G B 23 30.668 -51.814 12.475 1.00 0.00 H Missing atom added: ATOM 26 H4' G B 23 32.399 -50.250 11.277 1.00 0.00 H Missing atom added: ATOM 27 H3' G B 23 32.972 -49.990 12.264 1.00 0.00 H Missing atom added: ATOM 30 H1' G B 23 32.313 -47.861 9.587 1.00 0.00 H Missing atom added: ATOM 28 H2' G B 23 33.506 -48.488 12.303 1.00 0.00 H Missing atom added: ATOM 29 HO'2 G B 23 34.731 -48.643 11.660 1.00 0.00 H Missing atom added: ATOM 31 H8 G B 23 30.490 -47.683 12.712 1.00 0.00 H Missing atom added: ATOM 34 H1 G B 23 29.420 -42.982 7.817 1.00 0.00 H Missing atom added: ATOM 32 H21 G B 23 31.856 -45.302 6.364 1.00 0.00 H Missing atom added: ATOM 33 H22 G B 23 31.227 -43.754 6.447 1.00 0.00 H Missing atom added: ATOM 21 H5'1 U B 24 36.389 -50.927 13.409 1.00 0.00 H Missing atom added: ATOM 22 H5'2 U B 24 35.297 -49.474 13.050 1.00 0.00 H Missing atom added: ATOM 23 H4' U B 24 37.052 -49.038 14.543 1.00 0.00 H Missing atom added: ATOM 24 H3' U B 24 38.626 -49.183 11.722 1.00 0.00 H Missing atom added: ATOM 27 H1' U B 24 40.168 -49.694 14.779 1.00 0.00 H Missing atom added: ATOM 25 H2' U B 24 40.194 -49.430 11.759 1.00 0.00 H Missing atom added: ATOM 26 HO'2 U B 24 40.644 -48.115 11.943 1.00 0.00 H Missing atom added: ATOM 29 H6 U B 24 38.160 -52.205 13.616 1.00 0.00 H Missing atom added: ATOM 30 H3 U B 24 42.946 -53.256 15.396 1.00 0.00 H Missing atom added: ATOM 28 H5 U B 24 38.799 -54.605 13.925 1.00 0.00 H Missing atom added: ATOM 24 H5'1 G B 25 36.032 -44.837 10.946 1.00 0.00 H Missing atom added: ATOM 25 H5'2 G B 25 35.629 -46.636 11.135 1.00 0.00 H Missing atom added: ATOM 26 H4' G B 25 35.091 -45.167 9.166 1.00 0.00 H Missing atom added: ATOM 27 H3' G B 25 36.328 -43.169 10.036 1.00 0.00 H Missing atom added: ATOM 30 H1' G B 25 34.110 -44.236 7.181 1.00 0.00 H Missing atom added: ATOM 28 H2' G B 25 35.876 -42.240 7.893 1.00 0.00 H Missing atom added: ATOM 29 HO'2 G B 25 37.251 -44.170 6.957 1.00 0.00 H Missing atom added: ATOM 31 H8 G B 25 33.446 -44.210 10.768 1.00 0.00 H Missing atom added: ATOM 34 H1 G B 25 30.429 -38.865 7.680 1.00 0.00 H Missing atom added: ATOM 32 H21 G B 25 32.877 -40.068 5.240 1.00 0.00 H Missing atom added: ATOM 33 H22 G B 25 31.978 -38.804 5.867 1.00 0.00 H Missing atom added: ATOM 23 H5'1 A B 26 38.681 -41.983 6.836 1.00 0.00 H Missing atom added: ATOM 24 H5'2 A B 26 39.882 -40.725 7.477 1.00 0.00 H Missing atom added: ATOM 25 H4' A B 26 38.806 -39.870 5.710 1.00 0.00 H Missing atom added: ATOM 26 H3' A B 26 38.338 -38.520 8.370 1.00 0.00 H Missing atom added: ATOM 29 H1' A B 26 35.594 -38.544 5.741 1.00 0.00 H Missing atom added: ATOM 27 H2' A B 26 37.142 -36.787 7.213 1.00 0.00 H Missing atom added: ATOM 28 HO'2 A B 26 38.505 -37.463 5.174 1.00 0.00 H Missing atom added: ATOM 30 H8 A B 26 35.931 -40.430 8.853 1.00 0.00 H Missing atom added: ATOM 31 H61 A B 26 32.360 -38.329 11.466 1.00 0.00 H Missing atom added: ATOM 32 H62 A B 26 31.339 -36.993 11.167 1.00 0.00 H Missing atom added: ATOM 33 H2 A B 26 32.444 -34.853 7.063 1.00 0.00 H Missing atom added: ATOM 21 H5'1 C B 27 39.279 -35.224 6.419 1.00 0.00 H Missing atom added: ATOM 22 H5'2 C B 27 40.472 -34.249 7.449 1.00 0.00 H Missing atom added: ATOM 23 H4' C B 27 38.577 -33.056 6.814 1.00 0.00 H Missing atom added: ATOM 24 H3' C B 27 38.774 -33.545 9.743 1.00 0.00 H Missing atom added: ATOM 27 H1' C B 27 35.346 -33.502 8.095 1.00 0.00 H Missing atom added: ATOM 25 H2' C B 27 36.812 -32.186 10.039 1.00 0.00 H Missing atom added: ATOM 26 HO'2 C B 27 37.434 -31.140 7.803 1.00 0.00 H Missing atom added: ATOM 30 H6 C B 27 37.497 -35.959 9.383 1.00 0.00 H Missing atom added: ATOM 28 H41 C B 27 35.267 -37.996 13.037 1.00 0.00 H Missing atom added: ATOM 29 H42 C B 27 33.929 -36.953 13.270 1.00 0.00 H Missing atom added: ATOM 31 H5 C B 27 37.196 -37.883 11.276 1.00 0.00 H Missing atom added: ATOM 24 H5'1 G B 28 37.925 -29.739 9.541 1.00 0.00 H Missing atom added: ATOM 25 H5'2 G B 28 39.071 -28.706 10.567 1.00 0.00 H Missing atom added: ATOM 26 H4' G B 28 36.913 -28.122 10.939 1.00 0.00 H Missing atom added: ATOM 27 H3' G B 28 38.178 -29.730 13.274 1.00 0.00 H Missing atom added: ATOM 30 H1' G B 28 34.432 -29.743 12.573 1.00 0.00 H Missing atom added: ATOM 28 H2' G B 28 36.242 -29.166 14.589 1.00 0.00 H Missing atom added: ATOM 29 HO'2 G B 28 36.081 -27.097 13.109 1.00 0.00 H Missing atom added: ATOM 31 H8 G B 28 37.086 -32.232 11.988 1.00 0.00 H Missing atom added: ATOM 34 H1 G B 28 32.699 -34.124 16.935 1.00 0.00 H Missing atom added: ATOM 32 H21 G B 28 32.049 -30.560 16.426 1.00 0.00 H Missing atom added: ATOM 33 H22 G B 28 32.062 -31.879 17.456 1.00 0.00 H Missing atom added: ATOM 21 H5'1 U B 29 36.980 -26.424 15.105 1.00 0.00 H Missing atom added: ATOM 22 H5'2 U B 29 38.302 -25.709 16.190 1.00 0.00 H Missing atom added: ATOM 23 H4' U B 29 36.219 -25.820 17.217 1.00 0.00 H Missing atom added: ATOM 24 H3' U B 29 38.219 -27.871 18.294 1.00 0.00 H Missing atom added: ATOM 27 H1' U B 29 34.504 -28.631 18.247 1.00 0.00 H Missing atom added: ATOM 25 H2' U B 29 36.642 -28.438 20.002 1.00 0.00 H Missing atom added: ATOM 26 HO'2 U B 29 35.721 -26.090 19.674 1.00 0.00 H Missing atom added: ATOM 29 H6 U B 29 37.303 -29.561 16.320 1.00 0.00 H Missing atom added: ATOM 30 H3 U B 29 35.138 -33.368 19.148 1.00 0.00 H Missing atom added: ATOM 28 H5 U B 29 38.055 -31.912 15.906 1.00 0.00 H Missing atom added: ATOM 24 H5'1 G B 30 37.462 -26.323 21.787 1.00 0.00 H Missing atom added: ATOM 25 H5'2 G B 30 39.043 -25.863 22.637 1.00 0.00 H Missing atom added: ATOM 26 H4' G B 30 37.548 -27.213 23.874 1.00 0.00 H Missing atom added: ATOM 27 H3' G B 30 39.987 -28.756 22.972 1.00 0.00 H Missing atom added: ATOM 30 H1' G B 30 36.619 -30.496 23.225 1.00 0.00 H Missing atom added: ATOM 28 H2' G B 30 39.192 -30.632 24.239 1.00 0.00 H Missing atom added: ATOM 29 HO'2 G B 30 37.926 -28.920 25.633 1.00 0.00 H Missing atom added: ATOM 31 H8 G B 30 39.115 -29.449 20.608 1.00 0.00 H Missing atom added: ATOM 34 H1 G B 30 37.793 -36.192 20.673 1.00 0.00 H Missing atom added: ATOM 32 H21 G B 30 36.231 -34.902 23.729 1.00 0.00 H Missing atom added: ATOM 33 H22 G B 30 36.958 -36.173 22.920 1.00 0.00 H Missing atom added: ATOM 23 H5'1 A B 31 43.513 -29.683 25.881 1.00 0.00 H Missing atom added: ATOM 24 H5'2 A B 31 43.184 -30.195 24.130 1.00 0.00 H Missing atom added: ATOM 25 H4' A B 31 43.935 -31.814 25.820 1.00 0.00 H Missing atom added: ATOM 26 H3' A B 31 41.052 -32.269 25.222 1.00 0.00 H Missing atom added: ATOM 29 H1' A B 31 42.225 -32.641 28.789 1.00 0.00 H Missing atom added: ATOM 27 H2' A B 31 41.038 -34.089 26.761 1.00 0.00 H Missing atom added: ATOM 28 HO'2 A B 31 43.554 -34.189 26.394 1.00 0.00 H Missing atom added: ATOM 30 H8 A B 31 40.304 -29.996 27.134 1.00 0.00 H Missing atom added: ATOM 31 H61 A B 31 36.028 -30.572 29.461 1.00 0.00 H Missing atom added: ATOM 32 H62 A B 31 35.464 -31.742 30.570 1.00 0.00 H Missing atom added: ATOM 33 H2 A B 31 38.733 -35.115 31.348 1.00 0.00 H Missing atom added: ATOM 23 H5'1 A B 32 41.870 -35.977 25.184 1.00 0.00 H Missing atom added: ATOM 24 H5'2 A B 32 41.246 -36.763 23.626 1.00 0.00 H Missing atom added: ATOM 25 H4' A B 32 40.453 -37.733 25.625 1.00 0.00 H Missing atom added: ATOM 26 H3' A B 32 38.346 -36.380 24.026 1.00 0.00 H Missing atom added: ATOM 29 H1' A B 32 38.129 -36.235 27.806 1.00 0.00 H Missing atom added: ATOM 27 H2' A B 32 36.710 -37.120 25.592 1.00 0.00 H Missing atom added: ATOM 28 HO'2 A B 32 38.377 -38.935 26.213 1.00 0.00 H Missing atom added: ATOM 30 H8 A B 32 38.989 -33.739 25.228 1.00 0.00 H Missing atom added: ATOM 31 H61 A B 32 35.372 -30.547 26.108 1.00 0.00 H Missing atom added: ATOM 32 H62 A B 32 34.039 -30.577 27.175 1.00 0.00 H Missing atom added: ATOM 33 H2 A B 32 33.800 -34.704 29.538 1.00 0.00 H Missing atom added: ATOM 23 H5'1 A B 33 36.240 -39.186 24.227 1.00 0.00 H Missing atom added: ATOM 24 H5'2 A B 33 35.938 -40.106 22.646 1.00 0.00 H Missing atom added: ATOM 25 H4' A B 33 34.028 -39.944 23.238 1.00 0.00 H Missing atom added: ATOM 26 H3' A B 33 35.065 -38.700 20.583 1.00 0.00 H Missing atom added: ATOM 29 H1' A B 33 31.893 -37.511 22.379 1.00 0.00 H Missing atom added: ATOM 27 H2' A B 33 32.787 -38.450 19.885 1.00 0.00 H Missing atom added: ATOM 28 HO'2 A B 33 32.298 -40.453 21.329 1.00 0.00 H Missing atom added: ATOM 30 H8 A B 33 34.899 -36.370 20.421 1.00 0.00 H Missing atom added: ATOM 31 H61 A B 33 33.296 -31.727 20.020 1.00 0.00 H Missing atom added: ATOM 32 H62 A B 33 31.944 -30.918 20.680 1.00 0.00 H Missing atom added: ATOM 33 H2 A B 33 29.257 -33.847 23.286 1.00 0.00 H Missing atom added: ATOM 21 H5'1 U B 34 34.352 -43.289 18.753 1.00 0.00 H Missing atom added: ATOM 22 H5'2 U B 34 36.086 -43.393 18.108 1.00 0.00 H Missing atom added: ATOM 23 H4' U B 34 33.963 -43.935 16.854 1.00 0.00 H Missing atom added: ATOM 24 H3' U B 34 32.465 -43.430 18.622 1.00 0.00 H Missing atom added: ATOM 27 H1' U B 34 32.409 -45.076 15.564 1.00 0.00 H Missing atom added: ATOM 25 H2' U B 34 31.340 -44.520 18.346 1.00 0.00 H Missing atom added: ATOM 26 HO'2 U B 34 30.366 -43.710 17.733 1.00 0.00 H Missing atom added: ATOM 29 H6 U B 34 34.550 -46.031 18.144 1.00 0.00 H Missing atom added: ATOM 30 H3 U B 34 32.642 -49.453 14.717 1.00 0.00 H Missing atom added: ATOM 28 H5 U B 34 35.268 -48.415 18.349 1.00 0.00 H Missing atom added: ATOM 21 H5'1 U B 35 29.298 -42.518 17.900 1.00 0.00 H Missing atom added: ATOM 22 H5'2 U B 35 28.409 -40.901 17.735 1.00 0.00 H Missing atom added: ATOM 23 H4' U B 35 27.163 -41.738 19.016 1.00 0.00 H Missing atom added: ATOM 24 H3' U B 35 28.653 -39.090 19.634 1.00 0.00 H Missing atom added: ATOM 27 H1' U B 35 27.725 -40.977 22.443 1.00 0.00 H Missing atom added: ATOM 25 H2' U B 35 28.716 -38.426 21.118 1.00 0.00 H Missing atom added: ATOM 26 HO'2 U B 35 27.395 -37.952 21.216 1.00 0.00 H Missing atom added: ATOM 29 H6 U B 35 30.594 -42.126 21.225 1.00 0.00 H Missing atom added: ATOM 30 H3 U B 35 30.210 -40.622 26.201 1.00 0.00 H Missing atom added: ATOM 28 H5 U B 35 32.474 -42.689 22.774 1.00 0.00 H Missing atom added: ATOM 21 H5'1 C B 36 24.922 -36.458 21.296 1.00 0.00 H Missing atom added: ATOM 22 H5'2 C B 36 24.937 -35.435 19.749 1.00 0.00 H Missing atom added: ATOM 23 H4' C B 36 25.303 -33.944 20.789 1.00 0.00 H Missing atom added: ATOM 24 H3' C B 36 26.257 -34.792 18.120 1.00 0.00 H Missing atom added: ATOM 27 H1' C B 36 28.612 -32.828 20.371 1.00 0.00 H Missing atom added: ATOM 25 H2' C B 36 27.368 -32.681 17.893 1.00 0.00 H Missing atom added: ATOM 26 HO'2 C B 36 25.711 -31.831 19.624 1.00 0.00 H Missing atom added: ATOM 30 H6 C B 36 28.500 -36.195 19.700 1.00 0.00 H Missing atom added: ATOM 28 H41 C B 36 32.406 -37.312 17.261 1.00 0.00 H Missing atom added: ATOM 29 H42 C B 36 33.020 -35.771 16.837 1.00 0.00 H Missing atom added: ATOM 31 H5 C B 36 30.265 -37.951 18.618 1.00 0.00 H Missing atom added: ATOM 24 H5'1 G B 37 25.044 -31.040 17.276 1.00 0.00 H Missing atom added: ATOM 25 H5'2 G B 37 24.002 -31.075 15.745 1.00 0.00 H Missing atom added: ATOM 26 H4' G B 37 25.523 -29.561 15.387 1.00 0.00 H Missing atom added: ATOM 27 H3' G B 37 25.764 -32.201 13.745 1.00 0.00 H Missing atom added: ATOM 30 H1' G B 37 28.753 -29.978 14.458 1.00 0.00 H Missing atom added: ATOM 28 H2' G B 37 27.367 -31.111 12.341 1.00 0.00 H Missing atom added: ATOM 29 HO'2 G B 37 26.165 -28.956 12.958 1.00 0.00 H Missing atom added: ATOM 31 H8 G B 37 27.641 -33.136 15.974 1.00 0.00 H Missing atom added: ATOM 34 H1 G B 37 33.251 -33.935 12.085 1.00 0.00 H Missing atom added: ATOM 32 H21 G B 37 31.941 -30.644 11.162 1.00 0.00 H Missing atom added: ATOM 33 H22 G B 37 32.790 -32.019 10.728 1.00 0.00 H Missing atom added: ATOM 21 H5'1 U B 38 25.361 -29.632 10.612 1.00 0.00 H Missing atom added: ATOM 22 H5'2 U B 38 24.182 -30.364 9.384 1.00 0.00 H Missing atom added: ATOM 23 H4' U B 38 26.134 -29.677 8.395 1.00 0.00 H Missing atom added: ATOM 24 H3' U B 38 25.772 -32.696 8.474 1.00 0.00 H Missing atom added: ATOM 27 H1' U B 38 29.247 -31.172 8.623 1.00 0.00 H Missing atom added: ATOM 25 H2' U B 38 27.726 -32.899 7.090 1.00 0.00 H Missing atom added: ATOM 26 HO'2 U B 38 27.179 -30.537 6.308 1.00 0.00 H Missing atom added: ATOM 29 H6 U B 38 26.986 -32.675 10.876 1.00 0.00 H Missing atom added: ATOM 30 H3 U B 38 31.234 -35.500 9.811 1.00 0.00 H Missing atom added: ATOM 28 H5 U B 38 27.441 -34.688 12.282 1.00 0.00 H Missing atom added: ATOM 21 H5'1 C B 39 26.465 -32.470 4.543 1.00 0.00 H Missing atom added: ATOM 22 H5'2 C B 39 25.231 -33.555 3.686 1.00 0.00 H Missing atom added: ATOM 23 H4' C B 39 27.489 -33.958 3.157 1.00 0.00 H Missing atom added: ATOM 24 H3' C B 39 26.202 -36.212 4.503 1.00 0.00 H Missing atom added: ATOM 27 H1' C B 39 29.847 -35.454 5.318 1.00 0.00 H Missing atom added: ATOM 25 H2' C B 39 28.256 -37.447 4.249 1.00 0.00 H Missing atom added: ATOM 26 HO'2 C B 39 28.779 -35.805 2.366 1.00 0.00 H Missing atom added: ATOM 30 H6 C B 39 26.805 -35.042 6.994 1.00 0.00 H Missing atom added: ATOM 28 H41 C B 39 26.946 -37.803 10.846 1.00 0.00 H Missing atom added: ATOM 29 H42 C B 39 28.355 -38.736 10.570 1.00 0.00 H Missing atom added: ATOM 31 H5 C B 39 25.871 -35.915 9.390 1.00 0.00 H Missing atom added: ATOM 21 H5'1 C B 40 28.226 -37.593 1.304 1.00 0.00 H Missing atom added: ATOM 22 H5'2 C B 40 27.193 -38.715 0.249 1.00 0.00 H Missing atom added: ATOM 23 H4' C B 40 29.282 -39.569 0.569 1.00 0.00 H Missing atom added: ATOM 24 H3' C B 40 27.062 -41.084 2.044 1.00 0.00 H Missing atom added: ATOM 27 H1' C B 40 30.630 -40.967 3.386 1.00 0.00 H Missing atom added: ATOM 25 H2' C B 40 28.679 -42.776 2.583 1.00 0.00 H Missing atom added: ATOM 26 HO'2 C B 40 29.907 -42.001 0.493 1.00 0.00 H Missing atom added: ATOM 30 H6 C B 40 27.667 -39.318 4.220 1.00 0.00 H Missing atom added: ATOM 28 H41 C B 40 26.650 -40.526 8.686 1.00 0.00 H Missing atom added: ATOM 29 H42 C B 40 27.761 -41.795 8.979 1.00 0.00 H Missing atom added: ATOM 31 H5 C B 40 26.279 -39.081 6.542 1.00 0.00 H Missing atom added: ATOM 23 H5'1 A B 41 25.639 -45.229 0.705 1.00 0.00 H Missing atom added: ATOM 24 H5'2 A B 41 26.521 -44.585 2.202 1.00 0.00 H Missing atom added: ATOM 25 H4' A B 41 26.951 -46.468 2.512 1.00 0.00 H Missing atom added: ATOM 26 H3' A B 41 26.018 -46.852 3.107 1.00 0.00 H Missing atom added: ATOM 29 H1' A B 41 29.457 -45.964 4.388 1.00 0.00 H Missing atom added: ATOM 27 H2' A B 41 27.609 -48.023 4.431 1.00 0.00 H Missing atom added: ATOM 28 HO'2 A B 41 28.962 -48.260 2.285 1.00 0.00 H Missing atom added: ATOM 30 H8 A B 41 26.853 -43.599 4.356 1.00 0.00 H Missing atom added: ATOM 31 H61 A B 41 25.170 -43.755 8.931 1.00 0.00 H Missing atom added: ATOM 32 H62 A B 41 25.457 -44.813 10.241 1.00 0.00 H Missing atom added: ATOM 33 H2 A B 41 28.387 -48.358 8.991 1.00 0.00 H Missing atom added: ATOM 24 H5'1 G B 42 27.268 -50.305 3.130 1.00 0.00 H Missing atom added: ATOM 25 H5'2 G B 42 26.017 -51.554 2.577 1.00 0.00 H Missing atom added: ATOM 26 H4' G B 42 27.044 -51.998 4.650 1.00 0.00 H Missing atom added: ATOM 27 H3' G B 42 24.160 -51.062 4.984 1.00 0.00 H Missing atom added: ATOM 30 H1' G B 42 26.785 -50.240 7.605 1.00 0.00 H Missing atom added: ATOM 28 H2' G B 42 24.355 -51.531 7.332 1.00 0.00 H Missing atom added: ATOM 29 HO'2 G B 42 26.165 -53.192 6.647 1.00 0.00 H Missing atom added: ATOM 31 H8 G B 42 25.237 -48.150 5.026 1.00 0.00 H Missing atom added: ATOM 34 H1 G B 42 22.747 -46.729 11.266 1.00 0.00 H Missing atom added: ATOM 32 H21 G B 42 24.432 -49.954 11.657 1.00 0.00 H Missing atom added: ATOM 33 H22 G B 42 23.212 -48.911 12.130 1.00 0.00 H Missing atom added: ATOM 23 H5'1 A B 43 24.340 -54.361 7.156 1.00 0.00 H Missing atom added: ATOM 24 H5'2 A B 43 22.945 -55.527 6.798 1.00 0.00 H Missing atom added: ATOM 25 H4' A B 43 23.122 -55.424 8.978 1.00 0.00 H Missing atom added: ATOM 26 H3' A B 43 20.648 -53.933 7.751 1.00 0.00 H Missing atom added: ATOM 29 H1' A B 43 22.128 -53.073 11.146 1.00 0.00 H Missing atom added: ATOM 27 H2' A B 43 19.727 -53.801 9.957 1.00 0.00 H Missing atom added: ATOM 28 HO'2 A B 43 21.029 -55.938 10.428 1.00 0.00 H Missing atom added: ATOM 30 H8 A B 43 22.588 -51.371 7.974 1.00 0.00 H Missing atom added: ATOM 31 H61 A B 43 20.153 -47.227 8.948 1.00 0.00 H Missing atom added: ATOM 32 H62 A B 43 19.238 -46.715 10.296 1.00 0.00 H Missing atom added: ATOM 33 H2 A B 43 18.714 -50.222 13.463 1.00 0.00 H Missing atom added: ATOM 21 H5'1 U B 44 18.726 -56.551 10.038 1.00 0.00 H Missing atom added: ATOM 22 H5'2 U B 44 17.361 -57.386 9.104 1.00 0.00 H Missing atom added: ATOM 23 H4' U B 44 16.633 -56.645 11.132 1.00 0.00 H Missing atom added: ATOM 24 H3' U B 44 15.674 -54.848 8.767 1.00 0.00 H Missing atom added: ATOM 27 H1' U B 44 16.106 -53.519 12.296 1.00 0.00 H Missing atom added: ATOM 25 H2' U B 44 14.196 -53.746 10.305 1.00 0.00 H Missing atom added: ATOM 26 HO'2 U B 44 14.191 -55.942 11.585 1.00 0.00 H Missing atom added: ATOM 29 H6 U B 44 17.715 -53.433 9.123 1.00 0.00 H Missing atom added: ATOM 30 H3 U B 44 15.930 -48.863 10.874 1.00 0.00 H Missing atom added: ATOM 28 H5 U B 44 18.378 -51.366 7.891 1.00 0.00 H Missing atom added: ATOM 24 H5'1 G B 45 12.070 -55.790 10.291 1.00 0.00 H Missing atom added: ATOM 25 H5'2 G B 45 10.903 -56.174 8.904 1.00 0.00 H Missing atom added: ATOM 26 H4' G B 45 10.075 -54.666 10.479 1.00 0.00 H Missing atom added: ATOM 27 H3' G B 45 10.739 -53.322 7.835 1.00 0.00 H Missing atom added: ATOM 30 H1' G B 45 11.086 -51.444 11.136 1.00 0.00 H Missing atom added: ATOM 28 H2' G B 45 9.749 -51.306 8.714 1.00 0.00 H Missing atom added: ATOM 29 HO'2 G B 45 8.405 -52.859 10.220 1.00 0.00 H Missing atom added: ATOM 31 H8 G B 45 13.456 -52.807 8.618 1.00 0.00 H Missing atom added: ATOM 34 H1 G B 45 13.492 -45.941 8.964 1.00 0.00 H Missing atom added: ATOM 32 H21 G B 45 10.488 -46.958 10.785 1.00 0.00 H Missing atom added: ATOM 33 H22 G B 45 11.284 -45.813 9.859 1.00 0.00 H Missing atom added: ATOM 21 H5'1 C B 46 6.923 -52.164 8.523 1.00 0.00 H Missing atom added: ATOM 22 H5'2 C B 46 5.920 -52.321 6.972 1.00 0.00 H Missing atom added: ATOM 23 H4' C B 46 5.600 -50.289 7.955 1.00 0.00 H Missing atom added: ATOM 24 H3' C B 46 7.173 -50.204 5.330 1.00 0.00 H Missing atom added: ATOM 27 H1' C B 46 7.789 -47.623 8.044 1.00 0.00 H Missing atom added: ATOM 25 H2' C B 46 7.024 -47.811 5.389 1.00 0.00 H Missing atom added: ATOM 26 HO'2 C B 46 4.927 -48.165 6.788 1.00 0.00 H Missing atom added: ATOM 30 H6 C B 46 9.381 -50.505 6.763 1.00 0.00 H Missing atom added: ATOM 28 H41 C B 46 13.606 -49.114 5.124 1.00 0.00 H Missing atom added: ATOM 29 H42 C B 46 13.483 -47.409 5.213 1.00 0.00 H Missing atom added: ATOM 31 H5 C B 46 11.870 -50.960 5.788 1.00 0.00 H Missing atom added: ATOM 24 H5'1 G B 47 4.675 -47.599 4.080 1.00 0.00 H Missing atom added: ATOM 25 H5'2 G B 47 4.097 -48.066 2.384 1.00 0.00 H Missing atom added: ATOM 26 H4' G B 47 4.954 -45.942 2.448 1.00 0.00 H Missing atom added: ATOM 27 H3' G B 47 6.666 -47.924 0.907 1.00 0.00 H Missing atom added: ATOM 30 H1' G B 47 8.256 -44.992 2.752 1.00 0.00 H Missing atom added: ATOM 28 H2' G B 47 8.035 -46.066 0.210 1.00 0.00 H Missing atom added: ATOM 29 HO'2 G B 47 5.955 -44.646 0.596 1.00 0.00 H Missing atom added: ATOM 31 H8 G B 47 8.112 -48.693 3.181 1.00 0.00 H Missing atom added: ATOM 34 H1 G B 47 14.403 -46.422 1.601 1.00 0.00 H Missing atom added: ATOM 32 H21 G B 47 12.191 -43.576 0.947 1.00 0.00 H Missing atom added: ATOM 33 H22 G B 47 13.598 -44.408 0.588 1.00 0.00 H Missing atom added: ATOM 23 H5'1 A B 48 6.568 -48.086 -3.734 1.00 0.00 H Missing atom added: ATOM 24 H5'2 A B 48 7.290 -49.395 -2.638 1.00 0.00 H Missing atom added: ATOM 25 H4' A B 48 8.201 -48.113 -4.697 1.00 0.00 H Missing atom added: ATOM 26 H3' A B 48 8.865 -46.194 -2.387 1.00 0.00 H Missing atom added: ATOM 29 H1' A B 48 7.470 -44.884 -5.651 1.00 0.00 H Missing atom added: ATOM 27 H2' A B 48 9.659 -44.603 -3.973 1.00 0.00 H Missing atom added: ATOM 28 HO'2 A B 48 10.105 -46.602 -5.477 1.00 0.00 H Missing atom added: ATOM 30 H8 A B 48 5.819 -45.468 -2.450 1.00 0.00 H Missing atom added: ATOM 31 H61 A B 48 4.736 -40.843 -1.272 1.00 0.00 H Missing atom added: ATOM 32 H62 A B 48 5.090 -39.346 -2.013 1.00 0.00 H Missing atom added: ATOM 33 H2 A B 48 7.920 -39.919 -5.799 1.00 0.00 H Missing atom added: ATOM 23 H5'1 A B 49 12.745 -45.936 -3.834 1.00 0.00 H Missing atom added: ATOM 24 H5'2 A B 49 13.880 -46.386 -2.439 1.00 0.00 H Missing atom added: ATOM 25 H4' A B 49 14.042 -44.295 -3.828 1.00 0.00 H Missing atom added: ATOM 26 H3' A B 49 13.356 -43.556 -1.205 1.00 0.00 H Missing atom added: ATOM 29 H1' A B 49 11.378 -41.857 -3.935 1.00 0.00 H Missing atom added: ATOM 27 H2' A B 49 13.146 -41.289 -1.887 1.00 0.00 H Missing atom added: ATOM 28 HO'2 A B 49 14.520 -41.952 -3.919 1.00 0.00 H Missing atom added: ATOM 30 H8 A B 49 10.528 -44.442 -1.440 1.00 0.00 H Missing atom added: ATOM 31 H61 A B 49 7.113 -41.973 1.056 1.00 0.00 H Missing atom added: ATOM 32 H62 A B 49 6.538 -40.368 0.948 1.00 0.00 H Missing atom added: ATOM 33 H2 A B 49 8.924 -37.885 -2.336 1.00 0.00 H Missing atom added: ATOM 23 H5'1 A B 50 15.993 -40.550 -2.099 1.00 0.00 H Missing atom added: ATOM 24 H5'2 A B 50 17.202 -40.444 -0.698 1.00 0.00 H Missing atom added: ATOM 25 H4' A B 50 16.000 -38.448 -1.235 1.00 0.00 H Missing atom added: ATOM 26 H3' A B 50 15.427 -39.470 1.422 1.00 0.00 H Missing atom added: ATOM 29 H1' A B 50 12.517 -38.046 -0.523 1.00 0.00 H Missing atom added: ATOM 27 H2' A B 50 13.954 -37.642 1.809 1.00 0.00 H Missing atom added: ATOM 28 HO'2 A B 50 15.199 -36.461 -0.065 1.00 0.00 H Missing atom added: ATOM 30 H8 A B 50 13.631 -41.433 0.570 1.00 0.00 H Missing atom added: ATOM 31 H61 A B 50 9.760 -42.637 3.307 1.00 0.00 H Missing atom added: ATOM 32 H62 A B 50 8.366 -41.773 3.783 1.00 0.00 H Missing atom added: ATOM 33 H2 A B 50 8.420 -37.325 2.092 1.00 0.00 H Missing atom added: ATOM 24 H5'1 G B 51 16.995 -37.475 5.141 1.00 0.00 H Missing atom added: ATOM 25 H5'2 G B 51 15.579 -38.559 4.641 1.00 0.00 H Missing atom added: ATOM 26 H4' G B 51 14.590 -38.079 5.965 1.00 0.00 H Missing atom added: ATOM 27 H3' G B 51 14.950 -39.112 6.642 1.00 0.00 H Missing atom added: ATOM 30 H1' G B 51 12.009 -39.361 4.269 1.00 0.00 H Missing atom added: ATOM 28 H2' G B 51 12.633 -39.551 6.970 1.00 0.00 H Missing atom added: ATOM 29 HO'2 G B 51 12.264 -37.090 6.445 1.00 0.00 H Missing atom added: ATOM 31 H8 G B 51 15.277 -40.730 3.704 1.00 0.00 H Missing atom added: ATOM 34 H1 G B 51 10.919 -45.601 5.827 1.00 0.00 H Missing atom added: ATOM 32 H21 G B 51 9.276 -42.446 6.686 1.00 0.00 H Missing atom added: ATOM 33 H22 G B 51 9.518 -44.069 7.013 1.00 0.00 H Missing atom added: ATOM 21 H5'1 C B 52 12.272 -37.590 8.970 1.00 0.00 H Missing atom added: ATOM 22 H5'2 C B 52 12.929 -37.260 10.672 1.00 0.00 H Missing atom added: ATOM 23 H4' C B 52 10.928 -38.458 10.650 1.00 0.00 H Missing atom added: ATOM 24 H3' C B 52 13.340 -40.163 11.430 1.00 0.00 H Missing atom added: ATOM 27 H1' C B 52 10.404 -41.699 9.586 1.00 0.00 H Missing atom added: ATOM 25 H2' C B 52 11.843 -41.957 11.944 1.00 0.00 H Missing atom added: ATOM 26 HO'2 C B 52 10.099 -40.145 12.324 1.00 0.00 H Missing atom added: ATOM 30 H6 C B 52 13.599 -40.628 8.654 1.00 0.00 H Missing atom added: ATOM 28 H41 C B 52 15.959 -44.460 7.158 1.00 0.00 H Missing atom added: ATOM 29 H42 C B 52 14.909 -45.731 7.621 1.00 0.00 H Missing atom added: ATOM 31 H5 C B 52 15.700 -41.873 7.466 1.00 0.00 H Missing atom added: ATOM 23 H5'1 A B 53 10.990 -40.970 14.502 1.00 0.00 H Missing atom added: ATOM 24 H5'2 A B 53 11.900 -40.770 16.105 1.00 0.00 H Missing atom added: ATOM 25 H4' A B 53 10.801 -42.780 15.989 1.00 0.00 H Missing atom added: ATOM 26 H3' A B 53 13.856 -43.020 15.750 1.00 0.00 H Missing atom added: ATOM 29 H1' A B 53 11.556 -45.522 14.064 1.00 0.00 H Missing atom added: ATOM 27 H2' A B 53 13.618 -45.402 15.907 1.00 0.00 H Missing atom added: ATOM 28 HO'2 A B 53 11.456 -44.909 17.165 1.00 0.00 H Missing atom added: ATOM 30 H8 A B 53 13.606 -42.712 12.825 1.00 0.00 H Missing atom added: ATOM 31 H61 A B 53 16.856 -45.250 10.185 1.00 0.00 H Missing atom added: ATOM 32 H62 A B 53 17.127 -46.924 9.984 1.00 0.00 H Missing atom added: ATOM 33 H2 A B 53 14.181 -49.495 12.700 1.00 0.00 H Missing atom added: ATOM 21 H5'1 U B 54 13.437 -45.559 18.693 1.00 0.00 H Missing atom added: ATOM 22 H5'2 U B 54 14.641 -45.192 20.053 1.00 0.00 H Missing atom added: ATOM 23 H4' U B 54 14.687 -47.403 19.362 1.00 0.00 H Missing atom added: ATOM 24 H3' U B 54 17.172 -45.843 18.642 1.00 0.00 H Missing atom added: ATOM 27 H1' U B 54 15.935 -48.644 16.373 1.00 0.00 H Missing atom added: ATOM 25 H2' U B 54 18.158 -47.891 17.866 1.00 0.00 H Missing atom added: ATOM 26 HO'2 U B 54 16.536 -49.050 19.446 1.00 0.00 H Missing atom added: ATOM 29 H6 U B 54 16.058 -45.104 16.378 1.00 0.00 H Missing atom added: ATOM 30 H3 U B 54 18.696 -47.508 12.586 1.00 0.00 H Missing atom added: ATOM 28 H5 U B 54 17.012 -43.706 14.546 1.00 0.00 H Missing atom added: ATOM 23 H5'1 A B 55 15.233 -45.994 21.945 1.00 0.00 H Missing atom added: ATOM 24 H5'2 A B 55 15.858 -44.282 22.283 1.00 0.00 H Missing atom added: ATOM 25 H4' A B 55 14.002 -45.777 23.319 1.00 0.00 H Missing atom added: ATOM 26 H3' A B 55 16.510 -46.813 24.779 1.00 0.00 H Missing atom added: ATOM 29 H1' A B 55 13.921 -49.217 23.444 1.00 0.00 H Missing atom added: ATOM 27 H2' A B 55 15.150 -48.499 25.803 1.00 0.00 H Missing atom added: ATOM 28 HO'2 A B 55 13.213 -46.871 25.444 1.00 0.00 H Missing atom added: ATOM 30 H8 A B 55 16.802 -48.653 21.586 1.00 0.00 H Missing atom added: ATOM 31 H61 A B 55 19.796 -52.281 22.966 1.00 0.00 H Missing atom added: ATOM 32 H62 A B 55 19.744 -53.399 24.256 1.00 0.00 H Missing atom added: ATOM 33 H2 A B 55 15.924 -52.691 27.013 1.00 0.00 H Missing atom added: ATOM 21 H5'1 C B 56 14.659 -47.317 27.869 1.00 0.00 H Missing atom added: ATOM 22 H5'2 C B 56 15.520 -46.533 29.311 1.00 0.00 H Missing atom added: ATOM 23 H4' C B 56 15.300 -48.543 29.930 1.00 0.00 H Missing atom added: ATOM 24 H3' C B 56 18.163 -47.448 29.383 1.00 0.00 H Missing atom added: ATOM 27 H1' C B 56 17.321 -51.160 29.242 1.00 0.00 H Missing atom added: ATOM 25 H2' C B 56 19.031 -49.380 30.515 1.00 0.00 H Missing atom added: ATOM 26 HO'2 C B 56 16.838 -49.375 31.807 1.00 0.00 H Missing atom added: ATOM 30 H6 C B 56 17.837 -48.606 26.887 1.00 0.00 H Missing atom added: ATOM 28 H41 C B 56 21.555 -49.929 24.251 1.00 0.00 H Missing atom added: ATOM 29 H42 C B 56 22.149 -51.280 25.119 1.00 0.00 H Missing atom added: ATOM 31 H5 C B 56 19.517 -48.371 24.758 1.00 0.00 H Missing atom added: ATOM 24 H5'1 G B 57 18.863 -48.379 33.064 1.00 0.00 H Missing atom added: ATOM 25 H5'2 G B 57 19.686 -46.983 33.961 1.00 0.00 H Missing atom added: ATOM 26 H4' G B 57 20.816 -48.964 34.216 1.00 0.00 H Missing atom added: ATOM 27 H3' G B 57 22.247 -47.006 32.300 1.00 0.00 H Missing atom added: ATOM 30 H1' G B 57 22.612 -50.776 31.961 1.00 0.00 H Missing atom added: ATOM 28 H2' G B 57 24.132 -48.502 32.322 1.00 0.00 H Missing atom added: ATOM 29 HO'2 G B 57 23.298 -49.215 34.621 1.00 0.00 H Missing atom added: ATOM 31 H8 G B 57 20.607 -48.460 29.988 1.00 0.00 H Missing atom added: ATOM 34 H1 G B 57 26.355 -50.222 26.659 1.00 0.00 H Missing atom added: ATOM 32 H21 G B 57 26.970 -51.187 30.139 1.00 0.00 H Missing atom added: ATOM 33 H22 G B 57 27.579 -50.684 28.664 1.00 0.00 H Missing atom added: ATOM 24 H5'1 G B 58 25.222 -47.805 34.599 1.00 0.00 H Missing atom added: ATOM 25 H5'2 G B 58 26.126 -46.281 35.137 1.00 0.00 H Missing atom added: ATOM 26 H4' G B 58 27.566 -47.847 34.326 1.00 0.00 H Missing atom added: ATOM 27 H3' G B 58 27.260 -45.366 32.585 1.00 0.00 H Missing atom added: ATOM 30 H1' G B 58 28.084 -48.753 31.046 1.00 0.00 H Missing atom added: ATOM 28 H2' G B 58 29.082 -46.172 31.242 1.00 0.00 H Missing atom added: ATOM 29 HO'2 G B 58 29.820 -47.430 33.326 1.00 0.00 H Missing atom added: ATOM 31 H8 G B 58 25.012 -46.716 31.087 1.00 0.00 H Missing atom added: ATOM 34 H1 G B 58 27.912 -46.995 24.863 1.00 0.00 H Missing atom added: ATOM 32 H21 G B 58 30.493 -48.235 27.138 1.00 0.00 H Missing atom added: ATOM 33 H22 G B 58 30.097 -47.449 25.715 1.00 0.00 H Missing atom added: ATOM 21 H5'1 U B 59 31.097 -45.436 32.969 1.00 0.00 H Missing atom added: ATOM 22 H5'2 U B 59 31.790 -43.830 33.582 1.00 0.00 H Missing atom added: ATOM 23 H4' U B 59 32.883 -44.787 31.720 1.00 0.00 H Missing atom added: ATOM 24 H3' U B 59 31.946 -42.179 31.288 1.00 0.00 H Missing atom added: ATOM 27 H1' U B 59 31.191 -44.097 28.468 1.00 0.00 H Missing atom added: ATOM 25 H2' U B 59 31.614 -41.447 29.894 1.00 0.00 H Missing atom added: ATOM 26 HO'2 U B 59 32.891 -41.418 29.332 1.00 0.00 H Missing atom added: ATOM 29 H6 U B 59 28.756 -43.329 30.800 1.00 0.00 H Missing atom added: ATOM 30 H3 U B 59 27.746 -43.738 25.701 1.00 0.00 H Missing atom added: ATOM 28 H5 U B 59 26.379 -43.112 30.048 1.00 0.00 H Missing atom added: ATOM 21 H5'1 U B 60 36.674 -40.696 32.074 1.00 0.00 H Missing atom added: ATOM 22 H5'2 U B 60 35.273 -40.984 33.253 1.00 0.00 H Missing atom added: ATOM 23 H4' U B 60 36.385 -38.789 32.884 1.00 0.00 H Missing atom added: ATOM 24 H3' U B 60 34.897 -39.129 30.032 1.00 0.00 H Missing atom added: ATOM 27 H1' U B 60 37.919 -37.421 30.354 1.00 0.00 H Missing atom added: ATOM 25 H2' U B 60 35.525 -38.386 28.753 1.00 0.00 H Missing atom added: ATOM 26 HO'2 U B 60 34.975 -37.106 28.933 1.00 0.00 H Missing atom added: ATOM 29 H6 U B 60 37.627 -40.789 29.511 1.00 0.00 H Missing atom added: ATOM 30 H3 U B 60 41.868 -37.973 28.388 1.00 0.00 H Missing atom added: ATOM 28 H5 U B 60 39.489 -41.912 28.277 1.00 0.00 H Missing atom added: ATOM 23 H5'1 A B 61 31.301 -35.014 30.422 1.00 0.00 H Missing atom added: ATOM 24 H5'2 A B 61 30.528 -36.692 30.567 1.00 0.00 H Missing atom added: ATOM 25 H4' A B 61 29.544 -35.860 28.905 1.00 0.00 H Missing atom added: ATOM 26 H3' A B 61 31.668 -38.114 28.224 1.00 0.00 H Missing atom added: ATOM 29 H1' A B 61 30.825 -35.836 25.698 1.00 0.00 H Missing atom added: ATOM 27 H2' A B 61 32.176 -38.370 26.707 1.00 0.00 H Missing atom added: ATOM 28 HO'2 A B 61 31.066 -39.062 26.206 1.00 0.00 H Missing atom added: ATOM 30 H8 A B 61 33.840 -36.828 25.475 1.00 0.00 H Missing atom added: ATOM 31 H61 A B 61 35.446 -32.742 23.327 1.00 0.00 H Missing atom added: ATOM 32 H62 A B 61 34.779 -31.177 23.175 1.00 0.00 H Missing atom added: ATOM 33 H2 A B 61 30.597 -30.844 25.433 1.00 0.00 H Missing atom added: ATOM 21 H5'1 U B 62 25.723 -39.309 28.460 1.00 0.00 H Missing atom added: ATOM 22 H5'2 U B 62 26.102 -40.820 27.457 1.00 0.00 H Missing atom added: ATOM 23 H4' U B 62 24.008 -39.726 27.072 1.00 0.00 H Missing atom added: ATOM 24 H3' U B 62 25.775 -39.524 24.742 1.00 0.00 H Missing atom added: ATOM 27 H1' U B 62 24.129 -36.496 25.263 1.00 0.00 H Missing atom added: ATOM 25 H2' U B 62 25.724 -38.436 23.559 1.00 0.00 H Missing atom added: ATOM 26 HO'2 U B 62 24.521 -38.792 22.948 1.00 0.00 H Missing atom added: ATOM 29 H6 U B 62 27.032 -36.724 26.968 1.00 0.00 H Missing atom added: ATOM 30 H3 U B 62 26.152 -32.720 23.756 1.00 0.00 H Missing atom added: ATOM 28 H5 U B 62 28.565 -34.756 27.100 1.00 0.00 H Missing atom added: ATOM 23 H5'1 A B 63 24.677 -41.632 22.232 1.00 0.00 H Missing atom added: ATOM 24 H5'2 A B 63 24.245 -39.835 22.095 1.00 0.00 H Missing atom added: ATOM 25 H4' A B 63 25.083 -41.618 20.432 1.00 0.00 H Missing atom added: ATOM 26 H3' A B 63 23.061 -43.538 21.983 1.00 0.00 H Missing atom added: ATOM 29 H1' A B 63 26.139 -44.417 20.614 1.00 0.00 H Missing atom added: ATOM 27 H2' A B 63 23.586 -45.037 22.141 1.00 0.00 H Missing atom added: ATOM 28 HO'2 A B 63 23.090 -45.585 20.948 1.00 0.00 H Missing atom added: ATOM 30 H8 A B 63 25.725 -43.624 24.141 1.00 0.00 H Missing atom added: ATOM 31 H61 A B 63 30.245 -45.210 25.191 1.00 0.00 H Missing atom added: ATOM 32 H62 A B 63 31.563 -45.671 24.208 1.00 0.00 H Missing atom added: ATOM 33 H2 A B 63 30.432 -45.482 19.585 1.00 0.00 H Missing atom added: ATOM 21 H5'1 C B 64 20.000 -45.233 19.320 1.00 0.00 H Missing atom added: ATOM 22 H5'2 C B 64 21.656 -46.064 19.282 1.00 0.00 H Missing atom added: ATOM 23 H4' C B 64 20.542 -47.623 18.675 1.00 0.00 H Missing atom added: ATOM 24 H3' C B 64 22.990 -46.568 17.306 1.00 0.00 H Missing atom added: ATOM 27 H1' C B 64 20.283 -48.242 15.242 1.00 0.00 H Missing atom added: ATOM 25 H2' C B 64 22.975 -48.483 15.877 1.00 0.00 H Missing atom added: ATOM 26 HO'2 C B 64 21.646 -49.621 17.725 1.00 0.00 H Missing atom added: ATOM 30 H6 C B 64 20.715 -44.922 15.680 1.00 0.00 H Missing atom added: ATOM 28 H41 C B 64 22.177 -43.068 11.574 1.00 0.00 H Missing atom added: ATOM 29 H42 C B 64 22.611 -44.464 10.683 1.00 0.00 H Missing atom added: ATOM 31 H5 C B 64 21.255 -42.853 14.011 1.00 0.00 H Missing atom added: ATOM 21 H5'1 U B 65 24.295 -50.212 17.584 1.00 0.00 H Missing atom added: ATOM 22 H5'2 U B 65 25.979 -50.236 18.357 1.00 0.00 H Missing atom added: ATOM 23 H4' U B 65 26.231 -51.341 16.566 1.00 0.00 H Missing atom added: ATOM 24 H3' U B 65 27.933 -48.972 17.152 1.00 0.00 H Missing atom added: ATOM 27 H1' U B 65 27.265 -49.277 13.725 1.00 0.00 H Missing atom added: ATOM 25 H2' U B 65 28.829 -48.153 16.077 1.00 0.00 H Missing atom added: ATOM 26 HO'2 U B 65 29.806 -49.126 15.799 1.00 0.00 H Missing atom added: ATOM 29 H6 U B 65 25.502 -47.059 15.725 1.00 0.00 H Missing atom added: ATOM 30 H3 U B 65 26.538 -46.100 10.710 1.00 0.00 H Missing atom added: ATOM 28 H5 U B 65 24.572 -44.974 14.712 1.00 0.00 H Missing atom added: ATOM 21 H5'1 C B 66 31.302 -50.154 17.157 1.00 0.00 H Missing atom added: ATOM 22 H5'2 C B 66 31.947 -51.575 18.156 1.00 0.00 H Missing atom added: ATOM 23 H4' C B 66 33.001 -50.175 19.057 1.00 0.00 H Missing atom added: ATOM 24 H3' C B 66 30.649 -51.655 20.615 1.00 0.00 H Missing atom added: ATOM 27 H1' C B 66 32.275 -48.423 21.737 1.00 0.00 H Missing atom added: ATOM 25 H2' C B 66 31.667 -50.957 22.665 1.00 0.00 H Missing atom added: ATOM 26 HO'2 C B 66 33.873 -51.125 21.408 1.00 0.00 H Missing atom added: ATOM 30 H6 C B 66 29.463 -48.898 19.836 1.00 0.00 H Missing atom added: ATOM 28 H41 C B 66 25.719 -47.519 22.385 1.00 0.00 H Missing atom added: ATOM 29 H42 C B 66 26.383 -47.381 23.957 1.00 0.00 H Missing atom added: ATOM 31 H5 C B 66 26.855 -48.225 20.139 1.00 0.00 H Missing atom added: ATOM 21 H5'1 C B 67 33.499 -53.084 22.986 1.00 0.00 H Missing atom added: ATOM 22 H5'2 C B 67 33.166 -54.867 23.367 1.00 0.00 H Missing atom added: ATOM 23 H4' C B 67 33.481 -53.676 25.278 1.00 0.00 H Missing atom added: ATOM 24 H3' C B 67 30.620 -54.653 24.834 1.00 0.00 H Missing atom added: ATOM 27 H1' C B 67 31.306 -51.449 26.757 1.00 0.00 H Missing atom added: ATOM 25 H2' C B 67 30.094 -53.918 27.060 1.00 0.00 H Missing atom added: ATOM 26 HO'2 C B 67 32.570 -54.241 27.549 1.00 0.00 H Missing atom added: ATOM 30 H6 C B 67 30.163 -52.284 23.535 1.00 0.00 H Missing atom added: ATOM 28 H41 C B 67 25.766 -50.546 23.146 1.00 0.00 H Missing atom added: ATOM 29 H42 C B 67 25.420 -50.078 24.756 1.00 0.00 H Missing atom added: ATOM 31 H5 C B 67 27.927 -51.629 22.140 1.00 0.00 H Missing atom added: ATOM 24 H5'1 G B 68 31.147 -56.049 28.423 1.00 0.00 H Missing atom added: ATOM 25 H5'2 G B 68 30.645 -57.828 28.546 1.00 0.00 H Missing atom added: ATOM 26 H4' G B 68 29.719 -56.524 30.208 1.00 0.00 H Missing atom added: ATOM 27 H3' G B 68 27.678 -57.381 28.076 1.00 0.00 H Missing atom added: ATOM 30 H1' G B 68 27.303 -54.115 30.000 1.00 0.00 H Missing atom added: ATOM 28 H2' G B 68 25.952 -56.470 29.486 1.00 0.00 H Missing atom added: ATOM 29 HO'2 G B 68 27.548 -56.932 31.414 1.00 0.00 H Missing atom added: ATOM 31 H8 G B 68 28.370 -54.754 26.555 1.00 0.00 H Missing atom added: ATOM 34 H1 G B 68 22.018 -52.129 26.845 1.00 0.00 H Missing atom added: ATOM 32 H21 G B 68 22.713 -53.243 30.260 1.00 0.00 H Missing atom added: ATOM 33 H22 G B 68 21.596 -52.954 29.048 1.00 0.00 H Missing atom added: ATOM 23 H5'1 A B 69 25.849 -58.540 31.385 1.00 0.00 H Missing atom added: ATOM 24 H5'2 A B 69 25.189 -60.265 31.235 1.00 0.00 H Missing atom added: ATOM 25 H4' A B 69 23.680 -58.644 32.072 1.00 0.00 H Missing atom added: ATOM 26 H3' A B 69 22.918 -59.666 29.387 1.00 0.00 H Missing atom added: ATOM 29 H1' A B 69 22.250 -56.021 30.222 1.00 0.00 H Missing atom added: ATOM 27 H2' A B 69 20.925 -58.344 29.497 1.00 0.00 H Missing atom added: ATOM 28 HO'2 A B 69 21.240 -58.402 32.021 1.00 0.00 H Missing atom added: ATOM 30 H8 A B 69 24.683 -57.723 28.026 1.00 0.00 H Missing atom added: ATOM 31 H61 A B 69 23.150 -55.994 23.706 1.00 0.00 H Missing atom added: ATOM 32 H62 A B 69 21.808 -55.041 23.250 1.00 0.00 H Missing atom added: ATOM 33 H2 A B 69 19.029 -54.057 26.991 1.00 0.00 H Missing atom added: ATOM 23 H5'1 A B 70 18.788 -62.321 29.576 1.00 0.00 H Missing atom added: ATOM 24 H5'2 A B 70 19.241 -60.885 28.495 1.00 0.00 H Missing atom added: ATOM 25 H4' A B 70 17.438 -60.556 28.254 1.00 0.00 H Missing atom added: ATOM 26 H3' A B 70 17.732 -60.983 27.007 1.00 0.00 H Missing atom added: ATOM 29 H1' A B 70 18.089 -57.285 27.690 1.00 0.00 H Missing atom added: ATOM 27 H2' A B 70 16.572 -59.059 26.208 1.00 0.00 H Missing atom added: ATOM 28 HO'2 A B 70 15.532 -58.949 28.535 1.00 0.00 H Missing atom added: ATOM 30 H8 A B 70 20.755 -59.648 27.213 1.00 0.00 H Missing atom added: ATOM 31 H61 A B 70 22.055 -58.792 22.575 1.00 0.00 H Missing atom added: ATOM 32 H62 A B 70 21.351 -57.867 21.325 1.00 0.00 H Missing atom added: ATOM 33 H2 A B 70 17.280 -55.844 22.751 1.00 0.00 H Missing atom added: ATOM 21 H5'1 U B 71 16.157 -65.335 28.706 1.00 0.00 H Missing atom added: ATOM 22 H5'2 U B 71 14.457 -64.757 29.165 1.00 0.00 H Missing atom added: ATOM 23 H4' U B 71 14.102 -65.870 30.246 1.00 0.00 H Missing atom added: ATOM 24 H3' U B 71 13.200 -63.182 29.342 1.00 0.00 H Missing atom added: ATOM 27 H1' U B 71 13.261 -63.369 32.816 1.00 0.00 H Missing atom added: ATOM 25 H2' U B 71 12.423 -62.078 30.199 1.00 0.00 H Missing atom added: ATOM 26 HO'2 U B 71 11.192 -62.714 30.349 1.00 0.00 H Missing atom added: ATOM 29 H6 U B 71 16.243 -62.506 31.536 1.00 0.00 H Missing atom added: ATOM 30 H3 U B 71 14.064 -59.781 35.405 1.00 0.00 H Missing atom added: ATOM 28 H5 U B 71 17.632 -60.767 32.671 1.00 0.00 H Missing atom added: ATOM 24 H5'1 G B 72 9.824 -63.318 29.282 1.00 0.00 H Missing atom added: ATOM 25 H5'2 G B 72 8.613 -64.490 28.514 1.00 0.00 H Missing atom added: ATOM 26 H4' G B 72 8.273 -62.501 27.619 1.00 0.00 H Missing atom added: ATOM 27 H3' G B 72 10.755 -63.696 25.930 1.00 0.00 H Missing atom added: ATOM 30 H1' G B 72 9.878 -60.330 25.939 1.00 0.00 H Missing atom added: ATOM 28 H2' G B 72 11.568 -62.670 25.011 1.00 0.00 H Missing atom added: ATOM 29 HO'2 G B 72 10.769 -62.693 23.860 1.00 0.00 H Missing atom added: ATOM 31 H8 G B 72 13.105 -61.220 26.646 1.00 0.00 H Missing atom added: ATOM 34 H1 G B 72 10.778 -55.470 29.605 1.00 0.00 H Missing atom added: ATOM 32 H21 G B 72 7.783 -57.140 28.319 1.00 0.00 H Missing atom added: ATOM 33 H22 G B 72 8.566 -55.717 28.722 1.00 0.00 H Missing atom added: ATOM 21 H5'1 C B 73 9.241 -63.269 21.540 1.00 0.00 H Missing atom added: ATOM 22 H5'2 C B 73 8.745 -65.000 21.099 1.00 0.00 H Missing atom added: ATOM 23 H4' C B 73 10.427 -64.558 19.817 1.00 0.00 H Missing atom added: ATOM 24 H3' C B 73 10.510 -66.879 21.697 1.00 0.00 H Missing atom added: ATOM 27 H1' C B 73 13.738 -65.078 20.857 1.00 0.00 H Missing atom added: ATOM 25 H2' C B 73 12.558 -67.579 20.684 1.00 0.00 H Missing atom added: ATOM 26 HO'2 C B 73 11.803 -66.238 18.655 1.00 0.00 H Missing atom added: ATOM 30 H6 C B 73 11.710 -64.850 23.625 1.00 0.00 H Missing atom added: ATOM 28 H41 C B 73 14.056 -66.662 27.318 1.00 0.00 H Missing atom added: ATOM 29 H42 C B 73 15.380 -67.439 26.561 1.00 0.00 H Missing atom added: ATOM 31 H5 C B 73 12.074 -65.319 26.269 1.00 0.00 H Missing atom added: ATOM 21 H5'1 C B 74 11.405 -68.655 18.299 1.00 0.00 H Missing atom added: ATOM 22 H5'2 C B 74 10.308 -70.116 17.984 1.00 0.00 H Missing atom added: ATOM 23 H4' C B 74 12.504 -70.664 17.715 1.00 0.00 H Missing atom added: ATOM 24 H3' C B 74 11.216 -71.836 20.261 1.00 0.00 H Missing atom added: ATOM 27 H1' C B 74 14.927 -71.056 20.104 1.00 0.00 H Missing atom added: ATOM 25 H2' C B 74 13.189 -73.159 20.574 1.00 0.00 H Missing atom added: ATOM 26 HO'2 C B 74 13.485 -72.979 18.051 1.00 0.00 H Missing atom added: ATOM 30 H6 C B 74 12.147 -69.441 21.477 1.00 0.00 H Missing atom added: ATOM 28 H41 C B 74 12.755 -69.334 26.176 1.00 0.00 H Missing atom added: ATOM 29 H42 C B 74 14.083 -70.392 26.393 1.00 0.00 H Missing atom added: ATOM 31 H5 C B 74 11.529 -68.607 23.985 1.00 0.00 H Missing atom added: ATOM 23 H5'1 A B 75 12.624 -75.149 18.435 1.00 0.00 H Missing atom added: ATOM 24 H5'2 A B 75 11.349 -76.495 18.446 1.00 0.00 H Missing atom added: ATOM 25 H4' A B 75 13.451 -77.211 19.107 1.00 0.00 H Missing atom added: ATOM 26 H3' A B 75 11.473 -77.028 21.442 1.00 0.00 H Missing atom added: ATOM 29 H1' A B 75 15.201 -76.465 21.961 1.00 0.00 H Missing atom added: ATOM 27 H2' A B 75 13.133 -78.085 22.827 1.00 0.00 H Missing atom added: ATOM 28 HO'2 A B 75 14.019 -79.093 20.661 1.00 0.00 H Missing atom added: ATOM 30 H8 A B 75 12.336 -74.160 21.865 1.00 0.00 H Missing atom added: ATOM 31 H61 A B 75 12.347 -72.698 26.541 1.00 0.00 H Missing atom added: ATOM 32 H62 A B 75 13.227 -73.212 27.912 1.00 0.00 H Missing atom added: ATOM 33 H2 A B 75 16.112 -76.851 26.859 1.00 0.00 H Missing atom added: ATOM 21 H5'1 C B 76 12.744 -80.852 21.827 1.00 0.00 H Missing atom added: ATOM 22 H5'2 C B 76 11.293 -81.966 22.128 1.00 0.00 H Missing atom added: ATOM 23 H4' C B 76 13.122 -82.219 23.607 1.00 0.00 H Missing atom added: ATOM 24 H3' C B 76 10.708 -81.131 24.938 1.00 0.00 H Missing atom added: ATOM 27 H1' C B 76 14.128 -79.895 26.047 1.00 0.00 H Missing atom added: ATOM 25 H2' C B 76 11.893 -81.202 27.025 1.00 0.00 H Missing atom added: ATOM 26 HO'2 C B 76 13.362 -82.961 25.918 1.00 0.00 H Missing atom added: ATOM 30 H6 C B 76 11.531 -78.555 24.122 1.00 0.00 H Missing atom added: ATOM 28 H41 C B 76 9.902 -74.746 26.423 1.00 0.00 H Missing atom added: ATOM 29 H42 C B 76 10.674 -74.886 27.945 1.00 0.00 H Missing atom added: ATOM 31 H5 C B 76 10.059 -76.286 24.314 1.00 0.00 H Missing atom added: ATOM 21 H5'1 C B 77 11.106 -83.624 27.734 1.00 0.00 H Missing atom added: ATOM 22 H5'2 C B 77 9.495 -84.509 27.977 1.00 0.00 H Missing atom added: ATOM 23 H4' C B 77 10.429 -83.320 29.841 1.00 0.00 H Missing atom added: ATOM 24 H3' C B 77 7.901 -82.232 29.012 1.00 0.00 H Missing atom added: ATOM 27 H1' C B 77 10.600 -79.763 30.034 1.00 0.00 H Missing atom added: ATOM 25 H2' C B 77 8.068 -80.605 30.768 1.00 0.00 H Missing atom added: ATOM 26 HO'2 C B 77 9.740 -82.207 31.833 1.00 0.00 H Missing atom added: ATOM 30 H6 C B 77 8.999 -80.800 27.054 1.00 0.00 H Missing atom added: ATOM 28 H41 C B 77 6.928 -76.951 25.220 1.00 0.00 H Missing atom added: ATOM 29 H42 C B 77 7.113 -75.807 26.481 1.00 0.00 H Missing atom added: ATOM 31 H5 C B 77 7.700 -79.445 25.092 1.00 0.00 H Missing atom added: ATOM 21 H5'1 U B 78 8.472 -83.072 33.107 1.00 0.00 H Missing atom added: ATOM 22 H5'2 U B 78 7.096 -84.095 33.810 1.00 0.00 H Missing atom added: ATOM 23 H4' U B 78 7.730 -82.833 35.434 1.00 0.00 H Missing atom added: ATOM 24 H3' U B 78 5.027 -81.902 34.040 1.00 0.00 H Missing atom added: ATOM 27 H1' U B 78 7.236 -79.687 36.203 1.00 0.00 H Missing atom added: ATOM 25 H2' U B 78 4.613 -80.544 35.982 1.00 0.00 H Missing atom added: ATOM 26 HO'2 U B 78 5.876 -82.342 37.268 1.00 0.00 H Missing atom added: ATOM 29 H6 U B 78 6.652 -80.242 32.757 1.00 0.00 H Missing atom added: ATOM 30 H3 U B 78 5.185 -75.575 34.558 1.00 0.00 H Missing atom added: ATOM 28 H5 U B 78 5.984 -78.495 31.095 1.00 0.00 H Missing atom added: ATOM 23 H5'1 A B 79 3.648 -82.786 37.755 1.00 0.00 H Missing atom added: ATOM 24 H5'2 A B 79 2.014 -83.656 37.658 1.00 0.00 H Missing atom added: ATOM 25 H4' A B 79 2.095 -81.946 39.233 1.00 0.00 H Missing atom added: ATOM 26 H3' A B 79 0.491 -81.117 36.741 1.00 0.00 H Missing atom added: ATOM 29 H1' A B 79 2.414 -78.577 38.838 1.00 0.00 H Missing atom added: ATOM 27 H2' A B 79 -0.146 -79.117 37.934 1.00 0.00 H Missing atom added: ATOM 28 HO'2 A B 79 0.211 -80.503 40.042 1.00 0.00 H Missing atom added: ATOM 30 H8 A B 79 2.821 -80.091 35.470 1.00 0.00 H Missing atom added: ATOM 31 H61 A B 79 2.452 -76.006 32.792 1.00 0.00 H Missing atom added: ATOM 32 H62 A B 79 2.044 -74.396 33.188 1.00 0.00 H Missing atom added: ATOM 33 H2 A B 79 1.075 -73.940 37.829 1.00 0.00 H Missing atom added: ATOM 24 H5'1 G B 80 -2.006 -80.437 39.908 1.00 0.00 H Missing atom added: ATOM 25 H5'2 G B 80 -3.727 -81.006 39.524 1.00 0.00 H Missing atom added: ATOM 26 H4' G B 80 -3.609 -78.889 40.503 1.00 0.00 H Missing atom added: ATOM 27 H3' G B 80 -4.450 -78.813 37.603 1.00 0.00 H Missing atom added: ATOM 30 H1' G B 80 -2.400 -75.967 39.079 1.00 0.00 H Missing atom added: ATOM 28 H2' G B 80 -4.834 -76.457 37.841 1.00 0.00 H Missing atom added: ATOM 29 HO'2 G B 80 -5.131 -76.938 40.323 1.00 0.00 H Missing atom added: ATOM 31 H8 G B 80 -1.639 -78.701 36.701 1.00 0.00 H Missing atom added: ATOM 34 H1 G B 80 -1.400 -72.458 33.830 1.00 0.00 H Missing atom added: ATOM 32 H21 G B 80 -3.065 -71.940 37.051 1.00 0.00 H Missing atom added: ATOM 33 H22 G B 80 -2.853 -71.473 35.458 1.00 0.00 H Missing atom added: ATOM 24 H5'1 G B 81 -8.732 -77.730 36.378 1.00 0.00 H Missing atom added: ATOM 25 H5'2 G B 81 -7.060 -76.992 36.072 1.00 0.00 H Missing atom added: ATOM 26 H4' G B 81 -8.085 -75.387 35.578 1.00 0.00 H Missing atom added: ATOM 27 H3' G B 81 -8.321 -75.543 34.444 1.00 0.00 H Missing atom added: ATOM 30 H1' G B 81 -5.736 -73.300 36.044 1.00 0.00 H Missing atom added: ATOM 28 H2' G B 81 -7.814 -73.222 34.231 1.00 0.00 H Missing atom added: ATOM 29 HO'2 G B 81 -8.830 -72.970 36.557 1.00 0.00 H Missing atom added: ATOM 31 H8 G B 81 -5.059 -76.613 34.937 1.00 0.00 H Missing atom added: ATOM 34 H1 G B 81 -3.395 -72.181 29.962 1.00 0.00 H Missing atom added: ATOM 32 H21 G B 81 -5.603 -70.286 32.180 1.00 0.00 H Missing atom added: ATOM 33 H22 G B 81 -4.996 -70.543 30.642 1.00 0.00 H Missing atom added: ATOM 21 H5'1 C B 82 -10.412 -72.218 34.692 1.00 0.00 H Missing atom added: ATOM 22 H5'2 C B 82 -11.971 -72.354 33.698 1.00 0.00 H Missing atom added: ATOM 23 H4' C B 82 -10.854 -70.467 33.141 1.00 0.00 H Missing atom added: ATOM 24 H3' C B 82 -11.015 -72.592 30.978 1.00 0.00 H Missing atom added: ATOM 27 H1' C B 82 -8.023 -70.261 31.150 1.00 0.00 H Missing atom added: ATOM 25 H2' C B 82 -10.064 -71.011 29.441 1.00 0.00 H Missing atom added: ATOM 26 HO'2 C B 82 -11.011 -69.228 30.999 1.00 0.00 H Missing atom added: ATOM 30 H6 C B 82 -8.567 -73.579 32.077 1.00 0.00 H Missing atom added: ATOM 28 H41 C B 82 -5.823 -76.292 29.324 1.00 0.00 H Missing atom added: ATOM 29 H42 C B 82 -5.272 -75.173 28.151 1.00 0.00 H Missing atom added: ATOM 31 H5 C B 82 -7.404 -75.927 31.380 1.00 0.00 H Missing atom added: ATOM 21 H5'1 C B 83 -12.385 -69.633 28.846 1.00 0.00 H Missing atom added: ATOM 22 H5'2 C B 83 -13.933 -70.140 27.960 1.00 0.00 H Missing atom added: ATOM 23 H4' C B 83 -12.306 -69.188 26.584 1.00 0.00 H Missing atom added: ATOM 24 H3' C B 83 -12.857 -72.039 26.001 1.00 0.00 H Missing atom added: ATOM 27 H1' C B 83 -9.307 -70.706 25.603 1.00 0.00 H Missing atom added: ATOM 25 H2' C B 83 -11.352 -71.892 24.139 1.00 0.00 H Missing atom added: ATOM 26 HO'2 C B 83 -11.812 -69.392 24.209 1.00 0.00 H Missing atom added: ATOM 30 H6 C B 83 -11.019 -72.792 27.869 1.00 0.00 H Missing atom added: ATOM 28 H41 C B 83 -8.706 -76.933 27.831 1.00 0.00 H Missing atom added: ATOM 29 H42 C B 83 -7.619 -76.726 26.525 1.00 0.00 H Missing atom added: ATOM 31 H5 C B 83 -10.502 -75.291 28.796 1.00 0.00 H Missing atom added: ATOM 23 H5'1 RA3 B 84 -16.591 -73.549 25.165 1.00 0.00 H Missing atom added: ATOM 24 H5'2 RA3 B 84 -17.077 -72.219 26.361 1.00 0.00 H Missing atom added: ATOM 25 H4' RA3 B 84 -17.221 -74.731 26.658 1.00 0.00 H Missing atom added: ATOM 26 H3' RA3 B 84 -14.845 -73.955 28.172 1.00 0.00 H Missing atom added: ATOM 29 H1' RA3 B 84 -14.146 -76.745 26.202 1.00 0.00 H Missing atom added: ATOM 27 H2' RA3 B 84 -13.547 -74.846 28.495 1.00 0.00 H Missing atom added: ATOM 28 HO'2 RA3 B 84 -14.120 -75.797 29.347 1.00 0.00 H Missing atom added: ATOM 30 H8 RA3 B 84 -13.237 -73.671 24.618 1.00 0.00 H Missing atom added: ATOM 31 H61 RA3 B 84 -9.015 -75.528 22.956 1.00 0.00 H Missing atom added: ATOM 32 H62 RA3 B 84 -8.257 -77.044 23.163 1.00 0.00 H Missing atom added: ATOM 33 H2 RA3 B 84 -10.774 -79.857 26.068 1.00 0.00 H Missing atom added: ATOM 34 H3T RA3 B 84 -15.992 -76.517 27.896 1.00 0.00 H Missing atom added: ATOM 23 OP3 G B 1 2.546 -78.926 19.960 1.00108.60 O1- Number of atoms: 2710 Number of residues: 84 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: 2926 Number of angles built: 5229 Number of dihedrals built: 7953 Number of impropers built: 575 ----------------------------------------------------------------------------- End of molecule (chain) ----------------------------------------------------------------------------- Error: unknown residue: I2A Error: unknown residue: I2A Error: unknown residue: I2A Error: unknown residue: I2A Error: unknown residue: I2A Error: unknown residue: I2A Error: unknown residue: I2A Error: unknown residue: I2A Error: unknown residue: I2A Error: unknown residue: I2A Error: unknown residue: I2A Error: unknown residue: I2A Error: unknown residue: I2A Error: unknown residue: I2A Error: unknown residue: I2A Error: unknown residue: I2A Error: unknown residue: I2A Error: unknown residue: I2A Error: unknown residue: I2A Error: unknown residue: I2A Error: unknown residue: I2A Error: unknown residue: I2A Error: unknown residue: I2A Error: unknown residue: I2A Error: unknown residue: I2A Error: unknown residue: I2A Error: unknown residue: I2A Error: unknown residue: I2A Error: unknown residue: I2A Error: unknown residue: I2A Error: unknown residue: I2A Error: unknown residue: I2A Error: unknown residue: I2A Error: unknown residue: I2A Error: unknown residue: I2A Error: unknown residue: I2A Error: unknown residue: I2A Error: unknown residue: I2A Error: unknown residue: I2A Error: unknown residue: I2A Error: unknown residue: I2A Error: unknown residue: I2A Error: unknown residue: I2A Error: unknown residue: I2A Error: unknown residue: I2A Error: unknown residue: I2A Error: unknown residue: I2A Error: unknown residue: I2A Error: unknown residue: I2A Error: unknown residue: I2A Error: unknown residue: I2A Error: unknown residue: I2A Error: unknown residue: I2A Error: unknown residue: I2A Error: unknown residue: I2A Error: unknown residue: I2A Error: unknown residue: I2A Error: unknown residue: I2A Error: unknown residue: I2A Error: unknown residue: I2A Error: unknown residue: I2A Error: unknown residue: I2A Error: unknown residue: I2A Error: unknown residue: I2A Error: unknown residue: I2A Error: unknown residue: I2A Error: unknown residue: I2A Error: unknown residue: I2A Error: unknown residue: I2A Error: unknown residue: I2A Error: unknown residue: I2A Error: unknown residue: I2A Error: unknown residue: I2A Error: unknown residue: I2A Error: unknown residue: I2A Error: unknown residue: I2A Error: unknown residue: I2A Error: unknown residue: I2A Error: unknown residue: I2A Error: unknown residue: I2A Error: unknown residue: I2A Error: unknown residue: I2A Error: unknown residue: I2A Error: unknown residue: I2A Error: unknown residue: I2A Error: unknown residue: I2A Error: unknown residue: I2A Error: unknown residue: I2A Error: unknown residue: I2A Error: unknown residue: I2A Error: unknown residue: I2A Error: unknown residue: I2A Error: unknown residue(s). Molecule discarded. ----------------------------------------------------------------------------- Building interresidual nonbonded pairs & H-bonds (it may take a while)... Number of electrostatic pairs: 3662540 Number of van der Waals pairs: 378178 Number of H-bonds built: 69 Number of spring restraints: 0 Number of positional restraints: 0 Number of base pairs built: 15 Number of molecules (chains) read: 1 ----------------------------------------------------------------------------- Performing minimization step: 1. Total energy = 24097.3449 kcal/mol (24067.8631 without restraints) Performing minimization step: 2. Total energy = 23969.6674 kcal/mol (23940.5484 without restraints) Performing minimization step: 3. Total energy = 23844.9889 kcal/mol (23816.2203 without restraints) Performing minimization step: 4. Total energy = 23723.2071 kcal/mol (23694.7773 without restraints) Performing minimization step: 5. Total energy = 23604.2241 kcal/mol (23576.1217 without restraints) Performing minimization step: 6. Total energy = 23487.9462 kcal/mol (23460.1606 without restraints) Performing minimization step: 7. Total energy = 23374.2832 kcal/mol (23346.8039 without restraints) Performing minimization step: 8. Total energy = 23263.1483 kcal/mol (23235.9654 without restraints) Performing minimization step: 9. Total energy = 23154.4582 kcal/mol (23127.5621 without restraints) Performing minimization step: 10. Total energy = 23048.1328 kcal/mol (23021.5142 without restraints) Performing minimization step: 11. Total energy = 22944.0948 kcal/mol (22917.7451 without restraints) Performing minimization step: 12. Total energy = 22842.2708 kcal/mol (22816.1812 without restraints) Performing minimization step: 13. Total energy = 22742.5891 kcal/mol (22716.7515 without restraints) Performing minimization step: 14. Total energy = 22644.9808 kcal/mol (22619.3874 without restraints) Performing minimization step: 15. Total energy = 22549.3796 kcal/mol (22524.0226 without restraints) Performing minimization step: 16. Total energy = 22455.7215 kcal/mol (22430.5937 without restraints) Performing minimization step: 17. Total energy = 22363.9451 kcal/mol (22339.0395 without restraints) Performing minimization step: 18. Total energy = 22273.9914 kcal/mol (22249.3011 without restraints) Performing minimization step: 19. Total energy = 22185.8031 kcal/mol (22161.3216 without restraints) Performing minimization step: 20. Total energy = 22099.3250 kcal/mol (22075.0459 without restraints) Performing minimization step: 21. Total energy = 22014.5038 kcal/mol (21990.4211 without restraints) Performing minimization step: 22. Total energy = 21931.2881 kcal/mol (21907.3957 without restraints) Performing minimization step: 23. Total energy = 21849.6278 kcal/mol (21825.9202 without restraints) Performing minimization step: 24. Total energy = 21769.4753 kcal/mol (21745.9470 without restraints) Performing minimization step: 25. Total energy = 21690.7847 kcal/mol (21667.4303 without restraints) Performing minimization step: 26. Total energy = 21613.5108 kcal/mol (21590.3253 without restraints) Performing minimization step: 27. Total energy = 21537.6105 kcal/mol (21514.5887 without restraints) Performing minimization step: 28. Total energy = 21463.0422 kcal/mol (21440.1797 without restraints) Performing minimization step: 29. Total energy = 21389.7659 kcal/mol (21367.0579 without restraints) Performing minimization step: 30. Total energy = 21317.7417 kcal/mol (21295.1837 without restraints) Performing minimization step: 31. Total energy = 21246.9323 kcal/mol (21224.5201 without restraints) Performing minimization step: 32. Total energy = 21177.3012 kcal/mol (21155.0307 without restraints) Performing minimization step: 33. Total energy = 21108.8133 kcal/mol (21086.6804 without restraints) Performing minimization step: 34. Total energy = 21041.4344 kcal/mol (21019.4352 without restraints) Performing minimization step: 35. Total energy = 20975.1318 kcal/mol (20953.2625 without restraints) Performing minimization step: 36. Total energy = 20909.8730 kcal/mol (20888.1299 without restraints) Performing minimization step: 37. Total energy = 20845.6272 kcal/mol (20824.0071 without restraints) Performing minimization step: 38. Total energy = 20782.3654 kcal/mol (20760.8647 without restraints) Performing minimization step: 39. Total energy = 20720.0579 kcal/mol (20698.6734 without restraints) Performing minimization step: 40. Total energy = 20658.6776 kcal/mol (20637.4060 without restraints) Performing minimization step: 41. Total energy = 20598.1969 kcal/mol (20577.0352 without restraints) Performing minimization step: 42. Total energy = 20538.5894 kcal/mol (20517.5347 without restraints) Performing minimization step: 43. Total energy = 20479.8301 kcal/mol (20458.8795 without restraints) Performing minimization step: 44. Total energy = 20421.8946 kcal/mol (20401.0453 without restraints) Performing minimization step: 45. Total energy = 20364.7588 kcal/mol (20344.0081 without restraints) Performing minimization step: 46. Total energy = 20308.4001 kcal/mol (20287.7454 without restraints) Performing minimization step: 47. Total energy = 20252.7965 kcal/mol (20232.2354 without restraints) Performing minimization step: 48. Total energy = 20197.9266 kcal/mol (20177.4566 without restraints) Performing minimization step: 49. Total energy = 20143.7690 kcal/mol (20123.3877 without restraints) Performing minimization step: 50. Total energy = 20090.3038 kcal/mol (20070.0090 without restraints) Performing minimization step: 51. Total energy = 20037.5117 kcal/mol (20017.3012 without restraints) Performing minimization step: 52. Total energy = 19985.3737 kcal/mol (19965.2453 without restraints) Performing minimization step: 53. Total energy = 19933.8713 kcal/mol (19913.8231 without restraints) Performing minimization step: 54. Total energy = 19882.9871 kcal/mol (19863.0170 without restraints) Performing minimization step: 55. Total energy = 19832.7041 kcal/mol (19812.8103 without restraints) Performing minimization step: 56. Total energy = 19783.0055 kcal/mol (19763.1857 without restraints) Performing minimization step: 57. Total energy = 19733.8753 kcal/mol (19714.1284 without restraints) Performing minimization step: 58. Total energy = 19685.2984 kcal/mol (19665.6223 without restraints) Performing minimization step: 59. Total energy = 19637.2593 kcal/mol (19617.6524 without restraints) Performing minimization step: 60. Total energy = 19589.7439 kcal/mol (19570.2045 without restraints) Performing minimization step: 61. Total energy = 19542.7376 kcal/mol (19523.2641 without restraints) Performing minimization step: 62. Total energy = 19496.2273 kcal/mol (19476.8182 without restraints) Performing minimization step: 63. Total energy = 19450.1996 kcal/mol (19430.8535 without restraints) Performing minimization step: 64. Total energy = 19404.6416 kcal/mol (19385.3571 without restraints) Performing minimization step: 65. Total energy = 19359.5410 kcal/mol (19340.3166 without restraints) Performing minimization step: 66. Total energy = 19314.8859 kcal/mol (19295.7204 without restraints) Performing minimization step: 67. Total energy = 19270.6646 kcal/mol (19251.5566 without restraints) Performing minimization step: 68. Total energy = 19226.8661 kcal/mol (19207.8144 without restraints) Performing minimization step: 69. Total energy = 19183.4792 kcal/mol (19164.4825 without restraints) Performing minimization step: 70. Total energy = 19140.4936 kcal/mol (19121.5510 without restraints) Performing minimization step: 71. Total energy = 19097.8994 kcal/mol (19079.0096 without restraints) Performing minimization step: 72. Total energy = 19055.6865 kcal/mol (19036.8483 without restraints) Performing minimization step: 73. Total energy = 19013.8455 kcal/mol (18995.0580 without restraints) Performing minimization step: 74. Total energy = 18972.3660 kcal/mol (18953.6282 without restraints) Performing minimization step: 75. Total energy = 18931.2407 kcal/mol (18912.5515 without restraints) Performing minimization step: 76. Total energy = 18890.4603 kcal/mol (18871.8187 without restraints) Performing minimization step: 77. Total energy = 18850.0161 kcal/mol (18831.4213 without restraints) Performing minimization step: 78. Total energy = 18809.9003 kcal/mol (18791.3514 without restraints) Performing minimization step: 79. Total energy = 18770.1053 kcal/mol (18751.6014 without restraints) Performing minimization step: 80. Total energy = 18730.6224 kcal/mol (18712.1626 without restraints) Performing minimization step: 81. Total energy = 18691.4453 kcal/mol (18673.0289 without restraints) Performing minimization step: 82. Total energy = 18652.5664 kcal/mol (18634.1925 without restraints) Performing minimization step: 83. Total energy = 18613.9789 kcal/mol (18595.6470 without restraints) Performing minimization step: 84. Total energy = 18575.6762 kcal/mol (18557.3853 without restraints) Performing minimization step: 85. Total energy = 18537.6514 kcal/mol (18519.4008 without restraints) Performing minimization step: 86. Total energy = 18499.8985 kcal/mol (18481.6875 without restraints) Performing minimization step: 87. Total energy = 18462.4116 kcal/mol (18444.2398 without restraints) Performing minimization step: 88. Total energy = 18425.1846 kcal/mol (18407.0512 without restraints) Performing minimization step: 89. Total energy = 18388.2117 kcal/mol (18370.1160 without restraints) Performing minimization step: 90. Total energy = 18351.4873 kcal/mol (18333.4288 without restraints) Performing minimization step: 91. Total energy = 18315.0060 kcal/mol (18296.9842 without restraints) Performing minimization step: 92. Total energy = 18278.7623 kcal/mol (18260.7763 without restraints) Performing minimization step: 93. Total energy = 18242.7520 kcal/mol (18224.8014 without restraints) Performing minimization step: 94. Total energy = 18206.9697 kcal/mol (18189.0541 without restraints) Performing minimization step: 95. Total energy = 18171.4108 kcal/mol (18153.5295 without restraints) Performing minimization step: 96. Total energy = 18136.0703 kcal/mol (18118.2231 without restraints) Performing minimization step: 97. Total energy = 18100.9444 kcal/mol (18083.1304 without restraints) Performing minimization step: 98. Total energy = 18066.0284 kcal/mol (18048.2474 without restraints) Performing minimization step: 99. Total energy = 18031.3178 kcal/mol (18013.5693 without restraints) Performing minimization step: 100. Total energy = 17996.8091 kcal/mol (17979.0927 without restraints) Writing PDB file: /home/ubuntu/rna-tools/rna_tools/tools/webserver-engine/media/jobs/25668cfc/tmp/4frg_modified-coot-4_refx/4frg_modified-coot-4_refx.pdb ...Done. Performing minimization step: 101. Total energy = 17962.4983 kcal/mol (17944.8135 without restraints) Performing minimization step: 102. Total energy = 17928.3813 kcal/mol (17910.7277 without restraints) Performing minimization step: 103. Total energy = 17894.4542 kcal/mol (17876.8315 without restraints) Performing minimization step: 104. Total energy = 17860.7136 kcal/mol (17843.1212 without restraints) Performing minimization step: 105. Total energy = 17827.1561 kcal/mol (17809.5938 without restraints) Performing minimization step: 106. Total energy = 17793.7783 kcal/mol (17776.2457 without restraints) Performing minimization step: 107. Total energy = 17760.5767 kcal/mol (17743.0735 without restraints) Performing minimization step: 108. Total energy = 17727.5485 kcal/mol (17710.0741 without restraints) Performing minimization step: 109. Total energy = 17694.6901 kcal/mol (17677.2445 without restraints) Performing minimization step: 110. Total energy = 17661.9988 kcal/mol (17644.5815 without restraints) Performing minimization step: 111. Total energy = 17629.4718 kcal/mol (17612.0826 without restraints) Performing minimization step: 112. Total energy = 17597.1065 kcal/mol (17579.7450 without restraints) Performing minimization step: 113. Total energy = 17564.8991 kcal/mol (17547.5651 without restraints) Performing minimization step: 114. Total energy = 17532.8479 kcal/mol (17515.5409 without restraints) Performing minimization step: 115. Total energy = 17500.9501 kcal/mol (17483.6699 without restraints) Performing minimization step: 116. Total energy = 17469.2025 kcal/mol (17451.9489 without restraints) Performing minimization step: 117. Total energy = 17437.6033 kcal/mol (17420.3760 without restraints) Performing minimization step: 118. Total energy = 17406.1502 kcal/mol (17388.9489 without restraints) Performing minimization step: 119. Total energy = 17374.8400 kcal/mol (17357.6645 without restraints) Performing minimization step: 120. Total energy = 17343.6719 kcal/mol (17326.5222 without restraints) Performing minimization step: 121. Total energy = 17312.6429 kcal/mol (17295.5186 without restraints) Performing minimization step: 122. Total energy = 17281.7510 kcal/mol (17264.6516 without restraints) Performing minimization step: 123. Total energy = 17250.9935 kcal/mol (17233.9190 without restraints) Performing minimization step: 124. Total energy = 17220.3693 kcal/mol (17203.3196 without restraints) Performing minimization step: 125. Total energy = 17189.8759 kcal/mol (17172.8506 without restraints) Performing minimization step: 126. Total energy = 17159.5116 kcal/mol (17142.5107 without restraints) Performing minimization step: 127. Total energy = 17129.2749 kcal/mol (17112.2981 without restraints) Performing minimization step: 128. Total energy = 17099.1634 kcal/mol (17082.2104 without restraints) Performing minimization step: 129. Total energy = 17069.1754 kcal/mol (17052.2461 without restraints) Performing minimization step: 130. Total energy = 17039.3094 kcal/mol (17022.4036 without restraints) Performing minimization step: 131. Total energy = 17009.5637 kcal/mol (16992.6813 without restraints) Performing minimization step: 132. Total energy = 16979.9364 kcal/mol (16963.0772 without restraints) Performing minimization step: 133. Total energy = 16950.4265 kcal/mol (16933.5903 without restraints) Performing minimization step: 134. Total energy = 16921.0324 kcal/mol (16904.2191 without restraints) Performing minimization step: 135. Total energy = 16891.7521 kcal/mol (16874.9615 without restraints) Performing minimization step: 136. Total energy = 16862.5844 kcal/mol (16845.8162 without restraints) Performing minimization step: 137. Total energy = 16833.5276 kcal/mol (16816.7818 without restraints) Performing minimization step: 138. Total energy = 16804.5808 kcal/mol (16787.8572 without restraints) Performing minimization step: 139. Total energy = 16775.7426 kcal/mol (16759.0412 without restraints) Performing minimization step: 140. Killed /home/ubuntu/rna-tools//opt/qrnas/ Save to 4frg_modified-coot-4_refx.pdb DONE!