============================================================================= Reading config file: /home/ubuntu/rna-tools/rna_tools/tools/webserver-engine/media/jobs/97013d3d/tmp/TEST1_rank_1_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/97013d3d/tmp/TEST1_rank_1_refx/TEST1_rank_1.pdb ============================================================================= Atom's 1500 N4 residue renamed to RC3 Atom's 1499 O2 residue renamed to RC3 Atom's 1498 C4 residue renamed to RC3 Atom's 1497 N3 residue renamed to RC3 Atom's 1496 C2 residue renamed to RC3 Atom's 1495 N1 residue renamed to RC3 Atom's 1494 C6 residue renamed to RC3 Atom's 1493 C5 residue renamed to RC3 Atom's 1492 C1' residue renamed to RC3 Atom's 1491 O2' residue renamed to RC3 Atom's 1490 C2' residue renamed to RC3 Atom's 1489 O3' residue renamed to RC3 Atom's 1488 C3' residue renamed to RC3 Atom's 1487 O4' residue renamed to RC3 Atom's 1486 C4' residue renamed to RC3 Atom's 1485 C5' residue renamed to RC3 Atom's 1484 O5' residue renamed to RC3 Atom's 1483 OP2 residue renamed to RC3 Atom's 1482 OP1 residue renamed to RC3 Atom's 1481 P residue renamed to RC3 Missing atom added: ATOM 21 H5'1 C A 1 26.831 7.896 2.882 1.00 0.00 H Missing atom added: ATOM 22 H5'2 C A 1 25.286 6.965 3.307 1.00 0.00 H Missing atom added: ATOM 23 H4' C A 1 27.013 5.672 2.352 1.00 0.00 H Missing atom added: ATOM 24 H3' C A 1 26.202 4.797 4.943 1.00 0.00 H Missing atom added: ATOM 27 H1' C A 1 29.931 4.723 4.111 1.00 0.00 H Missing atom added: ATOM 25 H2' C A 1 27.798 3.040 4.779 1.00 0.00 H Missing atom added: ATOM 26 HO'2 C A 1 27.649 3.436 2.279 1.00 0.00 H Missing atom added: ATOM 30 H6 C A 1 27.862 6.737 6.072 1.00 0.00 H Missing atom added: ATOM 28 H41 C A 1 29.341 6.146 10.514 1.00 0.00 H Missing atom added: ATOM 29 H42 C A 1 30.410 4.817 10.370 1.00 0.00 H Missing atom added: ATOM 31 H5 C A 1 27.926 7.368 8.701 1.00 0.00 H Missing atom added: ATOM 21 H5'1 C A 2 26.617 1.565 2.836 1.00 0.00 H Missing atom added: ATOM 22 H5'2 C A 2 25.102 0.498 2.803 1.00 0.00 H Missing atom added: ATOM 23 H4' C A 2 27.142 -0.617 3.253 1.00 0.00 H Missing atom added: ATOM 24 H3' C A 2 25.329 -0.430 5.661 1.00 0.00 H Missing atom added: ATOM 27 H1' C A 2 29.116 -0.302 6.087 1.00 0.00 H Missing atom added: ATOM 25 H2' C A 2 26.875 -1.796 6.850 1.00 0.00 H Missing atom added: ATOM 26 HO'2 C A 2 27.558 -2.653 4.561 1.00 0.00 H Missing atom added: ATOM 30 H6 C A 2 26.499 2.009 6.119 1.00 0.00 H Missing atom added: ATOM 28 H41 C A 2 26.455 3.805 10.484 1.00 0.00 H Missing atom added: ATOM 29 H42 C A 2 27.529 2.764 11.317 1.00 0.00 H Missing atom added: ATOM 31 H5 C A 2 25.694 3.786 7.991 1.00 0.00 H Missing atom added: ATOM 21 H5'1 U A 3 26.110 -4.083 5.874 1.00 0.00 H Missing atom added: ATOM 22 H5'2 U A 3 24.647 -5.214 5.750 1.00 0.00 H Missing atom added: ATOM 23 H4' U A 3 26.202 -5.584 7.540 1.00 0.00 H Missing atom added: ATOM 24 H3' U A 3 23.586 -4.312 8.442 1.00 0.00 H Missing atom added: ATOM 27 H1' U A 3 26.847 -3.449 10.214 1.00 0.00 H Missing atom added: ATOM 25 H2' U A 3 24.309 -4.551 10.706 1.00 0.00 H Missing atom added: ATOM 26 HO'2 U A 3 25.747 -6.458 9.846 1.00 0.00 H Missing atom added: ATOM 29 H6 U A 3 24.570 -1.976 7.947 1.00 0.00 H Missing atom added: ATOM 30 H3 U A 3 25.034 0.189 12.653 1.00 0.00 H Missing atom added: ATOM 28 H5 U A 3 23.490 0.211 8.328 1.00 0.00 H Missing atom added: ATOM 23 H5'1 A A 4 24.103 -7.824 10.662 1.00 0.00 H Missing atom added: ATOM 24 H5'2 A A 4 22.631 -8.945 10.552 1.00 0.00 H Missing atom added: ATOM 25 H4' A A 4 23.760 -8.655 12.680 1.00 0.00 H Missing atom added: ATOM 26 H3' A A 4 21.143 -7.094 12.545 1.00 0.00 H Missing atom added: ATOM 29 H1' A A 4 24.095 -5.706 14.497 1.00 0.00 H Missing atom added: ATOM 27 H2' A A 4 21.451 -6.505 14.852 1.00 0.00 H Missing atom added: ATOM 28 HO'2 A A 4 22.854 -8.639 14.970 1.00 0.00 H Missing atom added: ATOM 30 H8 A A 4 22.289 -4.888 11.338 1.00 0.00 H Missing atom added: ATOM 31 H61 A A 4 20.854 -0.375 12.550 1.00 0.00 H Missing atom added: ATOM 32 H62 A A 4 20.989 0.530 13.991 1.00 0.00 H Missing atom added: ATOM 33 H2 A A 4 23.059 -2.006 17.439 1.00 0.00 H Missing atom added: ATOM 23 H5'1 A A 5 20.907 -8.990 15.938 1.00 0.00 H Missing atom added: ATOM 24 H5'2 A A 5 19.455 -10.126 16.128 1.00 0.00 H Missing atom added: ATOM 25 H4' A A 5 20.126 -8.770 18.010 1.00 0.00 H Missing atom added: ATOM 26 H3' A A 5 17.640 -7.605 16.665 1.00 0.00 H Missing atom added: ATOM 29 H1' A A 5 20.234 -5.334 18.250 1.00 0.00 H Missing atom added: ATOM 27 H2' A A 5 17.546 -5.976 18.408 1.00 0.00 H Missing atom added: ATOM 28 HO'2 A A 5 18.789 -7.728 19.787 1.00 0.00 H Missing atom added: ATOM 30 H8 A A 5 19.483 -6.159 14.733 1.00 0.00 H Missing atom added: ATOM 31 H61 A A 5 17.692 -1.842 13.292 1.00 0.00 H Missing atom added: ATOM 32 H62 A A 5 17.318 -0.408 14.140 1.00 0.00 H Missing atom added: ATOM 33 H2 A A 5 18.092 -0.904 18.804 1.00 0.00 H Missing atom added: ATOM 21 H5'1 C A 6 16.459 -7.743 20.371 1.00 0.00 H Missing atom added: ATOM 22 H5'2 C A 6 15.012 -8.850 20.714 1.00 0.00 H Missing atom added: ATOM 23 H4' C A 6 15.180 -6.708 21.842 1.00 0.00 H Missing atom added: ATOM 24 H3' C A 6 13.301 -6.496 19.369 1.00 0.00 H Missing atom added: ATOM 27 H1' C A 6 15.404 -3.558 20.555 1.00 0.00 H Missing atom added: ATOM 25 H2' C A 6 12.752 -4.280 20.050 1.00 0.00 H Missing atom added: ATOM 26 HO'2 C A 6 13.277 -5.097 22.401 1.00 0.00 H Missing atom added: ATOM 30 H6 C A 6 15.347 -6.023 18.019 1.00 0.00 H Missing atom added: ATOM 28 H41 C A 6 15.368 -3.599 13.969 1.00 0.00 H Missing atom added: ATOM 29 H42 C A 6 15.148 -1.988 14.506 1.00 0.00 H Missing atom added: ATOM 31 H5 C A 6 15.520 -5.816 15.327 1.00 0.00 H Missing atom added: ATOM 21 H5'1 C A 7 11.176 -4.983 22.212 1.00 0.00 H Missing atom added: ATOM 22 H5'2 C A 7 9.580 -5.838 22.609 1.00 0.00 H Missing atom added: ATOM 23 H4' C A 7 9.690 -3.418 22.711 1.00 0.00 H Missing atom added: ATOM 24 H3' C A 7 8.579 -4.406 19.946 1.00 0.00 H Missing atom added: ATOM 27 H1' C A 7 10.527 -1.147 20.318 1.00 0.00 H Missing atom added: ATOM 25 H2' C A 7 8.037 -2.110 19.430 1.00 0.00 H Missing atom added: ATOM 26 HO'2 C A 7 7.801 -1.830 21.959 1.00 0.00 H Missing atom added: ATOM 30 H6 C A 7 11.062 -4.388 19.149 1.00 0.00 H Missing atom added: ATOM 28 H41 C A 7 12.285 -3.834 14.624 1.00 0.00 H Missing atom added: ATOM 29 H42 C A 7 11.939 -2.180 14.352 1.00 0.00 H Missing atom added: ATOM 31 H5 C A 7 12.007 -5.276 16.778 1.00 0.00 H Missing atom added: ATOM 24 H5'1 G A 8 5.922 -1.876 21.099 1.00 0.00 H Missing atom added: ATOM 25 H5'2 G A 8 4.186 -2.490 21.295 1.00 0.00 H Missing atom added: ATOM 26 H4' G A 8 4.429 -0.330 20.346 1.00 0.00 H Missing atom added: ATOM 27 H3' G A 8 4.283 -2.762 18.276 1.00 0.00 H Missing atom added: ATOM 30 H1' G A 8 5.893 0.574 17.386 1.00 0.00 H Missing atom added: ATOM 28 H2' G A 8 3.847 -1.154 16.477 1.00 0.00 H Missing atom added: ATOM 29 HO'2 G A 8 2.731 0.257 18.304 1.00 0.00 H Missing atom added: ATOM 31 H8 G A 8 6.843 -2.957 17.924 1.00 0.00 H Missing atom added: ATOM 34 H1 G A 8 8.816 -0.164 11.972 1.00 0.00 H Missing atom added: ATOM 32 H21 G A 8 6.449 2.213 13.370 1.00 0.00 H Missing atom added: ATOM 33 H22 G A 8 7.167 1.525 12.025 1.00 0.00 H Missing atom added: ATOM 23 H5'1 A A 9 -0.184 -1.055 18.476 1.00 0.00 H Missing atom added: ATOM 24 H5'2 A A 9 -1.243 -2.488 18.988 1.00 0.00 H Missing atom added: ATOM 25 H4' A A 9 -2.113 -0.769 17.486 1.00 0.00 H Missing atom added: ATOM 26 H3' A A 9 -0.445 -3.204 16.206 1.00 0.00 H Missing atom added: ATOM 29 H1' A A 9 -0.825 0.098 14.357 1.00 0.00 H Missing atom added: ATOM 27 H2' A A 9 -1.371 -2.658 13.935 1.00 0.00 H Missing atom added: ATOM 28 HO'2 A A 9 -3.444 -1.845 15.221 1.00 0.00 H Missing atom added: ATOM 30 H8 A A 9 1.529 -2.554 15.512 1.00 0.00 H Missing atom added: ATOM 31 H61 A A 9 4.772 -1.679 11.960 1.00 0.00 H Missing atom added: ATOM 32 H62 A A 9 4.799 -0.559 10.672 1.00 0.00 H Missing atom added: ATOM 33 H2 A A 9 0.827 2.053 10.573 1.00 0.00 H Missing atom added: ATOM 21 H5'1 U A 10 -2.211 -1.795 14.656 1.00 0.00 H Missing atom added: ATOM 22 H5'2 U A 10 -4.002 -1.854 14.185 1.00 0.00 H Missing atom added: ATOM 23 H4' U A 10 -2.321 -0.565 12.906 1.00 0.00 H Missing atom added: ATOM 24 H3' U A 10 -2.894 -3.468 11.880 1.00 0.00 H Missing atom added: ATOM 27 H1' U A 10 0.538 -1.901 11.350 1.00 0.00 H Missing atom added: ATOM 25 H2' U A 10 -1.587 -2.878 9.787 1.00 0.00 H Missing atom added: ATOM 26 HO'2 U A 10 -2.326 -0.458 10.338 1.00 0.00 H Missing atom added: ATOM 29 H6 U A 10 -1.102 -4.508 12.986 1.00 0.00 H Missing atom added: ATOM 30 H3 U A 10 2.807 -5.564 9.721 1.00 0.00 H Missing atom added: ATOM 28 H5 U A 10 -0.212 -6.811 12.948 1.00 0.00 H Missing atom added: ATOM 23 H5'1 A A 11 -2.813 -1.692 8.974 1.00 0.00 H Missing atom added: ATOM 24 H5'2 A A 11 -4.211 -1.542 7.766 1.00 0.00 H Missing atom added: ATOM 25 H4' A A 11 -2.480 -2.047 6.566 1.00 0.00 H Missing atom added: ATOM 26 H3' A A 11 -5.056 -3.589 7.179 1.00 0.00 H Missing atom added: ATOM 29 H1' A A 11 -2.050 -5.618 6.048 1.00 0.00 H Missing atom added: ATOM 27 H2' A A 11 -4.948 -5.010 5.527 1.00 0.00 H Missing atom added: ATOM 28 HO'2 A A 11 -3.758 -3.568 4.127 1.00 0.00 H Missing atom added: ATOM 30 H8 A A 11 -5.021 -5.637 8.308 1.00 0.00 H Missing atom added: ATOM 31 H61 A A 11 -4.225 -10.223 9.803 1.00 0.00 H Missing atom added: ATOM 32 H62 A A 11 -2.946 -11.321 9.528 1.00 0.00 H Missing atom added: ATOM 33 H2 A A 11 0.327 -9.466 6.620 1.00 0.00 H Missing atom added: ATOM 21 H5'1 U A 12 -5.416 0.594 6.285 1.00 0.00 H Missing atom added: ATOM 22 H5'2 U A 12 -5.963 1.255 4.642 1.00 0.00 H Missing atom added: ATOM 23 H4' U A 12 -5.160 2.911 6.033 1.00 0.00 H Missing atom added: ATOM 24 H3' U A 12 -3.100 1.706 3.919 1.00 0.00 H Missing atom added: ATOM 27 H1' U A 12 -1.973 3.483 7.087 1.00 0.00 H Missing atom added: ATOM 25 H2' U A 12 -1.667 3.663 4.311 1.00 0.00 H Missing atom added: ATOM 26 HO'2 U A 12 -3.896 4.864 4.807 1.00 0.00 H Missing atom added: ATOM 29 H6 U A 12 -2.203 0.291 5.580 1.00 0.00 H Missing atom added: ATOM 30 H3 U A 12 2.476 2.045 7.025 1.00 0.00 H Missing atom added: ATOM 28 H5 U A 12 -0.299 -1.280 5.498 1.00 0.00 H Missing atom added: ATOM 23 H5'1 A A 13 -2.186 4.962 2.751 1.00 0.00 H Missing atom added: ATOM 24 H5'2 A A 13 -2.030 5.100 0.909 1.00 0.00 H Missing atom added: ATOM 25 H4' A A 13 -0.086 5.701 1.873 1.00 0.00 H Missing atom added: ATOM 26 H3' A A 13 0.014 3.096 0.284 1.00 0.00 H Missing atom added: ATOM 29 H1' A A 13 2.287 3.709 3.286 1.00 0.00 H Missing atom added: ATOM 27 H2' A A 13 2.417 3.164 0.583 1.00 0.00 H Missing atom added: ATOM 28 HO'2 A A 13 2.039 5.694 0.786 1.00 0.00 H Missing atom added: ATOM 30 H8 A A 13 -0.704 1.634 3.018 1.00 0.00 H Missing atom added: ATOM 31 H61 A A 13 1.359 -2.798 3.109 1.00 0.00 H Missing atom added: ATOM 32 H62 A A 13 2.986 -3.315 3.052 1.00 0.00 H Missing atom added: ATOM 33 H2 A A 13 5.954 0.370 2.581 1.00 0.00 H Missing atom added: ATOM 21 H5'1 C A 14 2.842 4.004 -1.525 1.00 0.00 H Missing atom added: ATOM 22 H5'2 C A 14 2.630 3.857 -3.360 1.00 0.00 H Missing atom added: ATOM 23 H4' C A 14 4.396 2.591 -2.521 1.00 0.00 H Missing atom added: ATOM 24 H3' C A 14 1.969 0.881 -3.323 1.00 0.00 H Missing atom added: ATOM 27 H1' C A 14 4.302 -0.174 -0.519 1.00 0.00 H Missing atom added: ATOM 25 H2' C A 14 3.285 -1.052 -2.948 1.00 0.00 H Missing atom added: ATOM 26 HO'2 C A 14 5.256 0.459 -3.485 1.00 0.00 H Missing atom added: ATOM 30 H6 C A 14 1.201 1.427 -0.655 1.00 0.00 H Missing atom added: ATOM 28 H41 C A 14 -1.906 -1.548 1.286 1.00 0.00 H Missing atom added: ATOM 29 H42 C A 14 -0.999 -2.995 1.408 1.00 0.00 H Missing atom added: ATOM 31 H5 C A 14 -1.221 0.790 0.357 1.00 0.00 H Missing atom added: ATOM 23 H5'1 A A 15 4.624 -0.984 -5.318 1.00 0.00 H Missing atom added: ATOM 24 H5'2 A A 15 4.273 -1.090 -7.135 1.00 0.00 H Missing atom added: ATOM 25 H4' A A 15 4.997 -3.092 -6.076 1.00 0.00 H Missing atom added: ATOM 26 H3' A A 15 1.967 -3.129 -6.615 1.00 0.00 H Missing atom added: ATOM 29 H1' A A 15 3.452 -4.924 -3.628 1.00 0.00 H Missing atom added: ATOM 27 H2' A A 15 1.939 -5.402 -5.882 1.00 0.00 H Missing atom added: ATOM 28 HO'2 A A 15 4.382 -5.413 -6.632 1.00 0.00 H Missing atom added: ATOM 30 H8 A A 15 1.703 -1.707 -3.802 1.00 0.00 H Missing atom added: ATOM 31 H61 A A 15 -2.550 -2.961 -1.740 1.00 0.00 H Missing atom added: ATOM 32 H62 A A 15 -3.197 -4.466 -1.257 1.00 0.00 H Missing atom added: ATOM 33 H2 A A 15 -0.240 -8.038 -2.298 1.00 0.00 H Missing atom added: ATOM 21 H5'1 C A 16 2.800 -6.443 -8.264 1.00 0.00 H Missing atom added: ATOM 22 H5'2 C A 16 2.360 -6.540 -10.062 1.00 0.00 H Missing atom added: ATOM 23 H4' C A 16 1.838 -8.421 -8.651 1.00 0.00 H Missing atom added: ATOM 24 H3' C A 16 -0.690 -6.726 -9.158 1.00 0.00 H Missing atom added: ATOM 27 H1' C A 16 -0.146 -8.625 -5.894 1.00 0.00 H Missing atom added: ATOM 25 H2' C A 16 -1.940 -8.436 -8.018 1.00 0.00 H Missing atom added: ATOM 26 HO'2 C A 16 -0.069 -9.986 -8.806 1.00 0.00 H Missing atom added: ATOM 30 H6 C A 16 0.162 -5.320 -6.958 1.00 0.00 H Missing atom added: ATOM 28 H41 C A 16 -3.017 -2.881 -4.464 1.00 0.00 H Missing atom added: ATOM 29 H42 C A 16 -3.941 -4.124 -3.735 1.00 0.00 H Missing atom added: ATOM 31 H5 C A 16 -0.972 -3.030 -6.071 1.00 0.00 H Missing atom added: ATOM 23 H5'1 A A 17 -2.084 -10.260 -10.223 1.00 0.00 H Missing atom added: ATOM 24 H5'2 A A 17 -2.800 -10.284 -11.933 1.00 0.00 H Missing atom added: ATOM 25 H4' A A 17 -3.997 -11.427 -10.192 1.00 0.00 H Missing atom added: ATOM 26 H3' A A 17 -5.321 -8.738 -10.852 1.00 0.00 H Missing atom added: ATOM 29 H1' A A 17 -5.396 -10.152 -7.329 1.00 0.00 H Missing atom added: ATOM 27 H2' A A 17 -7.098 -9.352 -9.347 1.00 0.00 H Missing atom added: ATOM 28 HO'2 A A 17 -6.398 -11.752 -9.910 1.00 0.00 H Missing atom added: ATOM 30 H8 A A 17 -3.358 -7.468 -8.755 1.00 0.00 H Missing atom added: ATOM 31 H61 A A 17 -5.465 -3.615 -6.608 1.00 0.00 H Missing atom added: ATOM 32 H62 A A 17 -6.867 -3.454 -5.646 1.00 0.00 H Missing atom added: ATOM 33 H2 A A 17 -9.120 -7.614 -5.165 1.00 0.00 H Missing atom added: ATOM 21 H5'1 C A 18 -8.467 -10.974 -11.173 1.00 0.00 H Missing atom added: ATOM 22 H5'2 C A 18 -9.321 -10.886 -12.816 1.00 0.00 H Missing atom added: ATOM 23 H4' C A 18 -10.678 -10.835 -10.834 1.00 0.00 H Missing atom added: ATOM 24 H3' C A 18 -10.379 -8.006 -12.011 1.00 0.00 H Missing atom added: ATOM 27 H1' C A 18 -10.725 -8.612 -8.255 1.00 0.00 H Missing atom added: ATOM 25 H2' C A 18 -11.987 -7.280 -10.348 1.00 0.00 H Missing atom added: ATOM 26 HO'2 C A 18 -12.803 -9.709 -10.462 1.00 0.00 H Missing atom added: ATOM 30 H6 C A 18 -8.133 -7.868 -10.462 1.00 0.00 H Missing atom added: ATOM 28 H41 C A 18 -6.536 -3.625 -9.152 1.00 0.00 H Missing atom added: ATOM 29 H42 C A 18 -7.734 -3.111 -8.042 1.00 0.00 H Missing atom added: ATOM 31 H5 C A 18 -6.355 -5.833 -10.524 1.00 0.00 H Missing atom added: ATOM 21 H5'1 U A 19 -14.444 -8.361 -11.752 1.00 0.00 H Missing atom added: ATOM 22 H5'2 U A 19 -15.288 -7.836 -13.316 1.00 0.00 H Missing atom added: ATOM 23 H4' U A 19 -16.239 -7.036 -11.294 1.00 0.00 H Missing atom added: ATOM 24 H3' U A 19 -14.796 -4.833 -12.805 1.00 0.00 H Missing atom added: ATOM 27 H1' U A 19 -14.899 -4.880 -8.988 1.00 0.00 H Missing atom added: ATOM 25 H2' U A 19 -15.662 -3.299 -11.135 1.00 0.00 H Missing atom added: ATOM 26 HO'2 U A 19 -17.505 -5.063 -10.863 1.00 0.00 H Missing atom added: ATOM 29 H6 U A 19 -12.496 -5.707 -11.375 1.00 0.00 H Missing atom added: ATOM 30 H3 U A 19 -11.763 -1.224 -8.841 1.00 0.00 H Missing atom added: ATOM 28 H5 U A 19 -10.302 -4.592 -11.598 1.00 0.00 H Missing atom added: ATOM 23 H5'1 A A 20 -18.350 -3.065 -12.146 1.00 0.00 H Missing atom added: ATOM 24 H5'2 A A 20 -19.005 -2.269 -13.687 1.00 0.00 H Missing atom added: ATOM 25 H4' A A 20 -19.081 -0.890 -11.807 1.00 0.00 H Missing atom added: ATOM 26 H3' A A 20 -16.933 -0.051 -13.810 1.00 0.00 H Missing atom added: ATOM 29 H1' A A 20 -16.470 0.524 -10.090 1.00 0.00 H Missing atom added: ATOM 27 H2' A A 20 -16.591 1.919 -12.444 1.00 0.00 H Missing atom added: ATOM 28 HO'2 A A 20 -19.027 1.498 -11.728 1.00 0.00 H Missing atom added: ATOM 30 H8 A A 20 -15.031 -1.968 -12.399 1.00 0.00 H Missing atom added: ATOM 31 H61 A A 20 -10.426 -0.336 -12.576 1.00 0.00 H Missing atom added: ATOM 32 H62 A A 20 -9.673 1.064 -11.951 1.00 0.00 H Missing atom added: ATOM 33 H2 A A 20 -12.812 3.883 -9.759 1.00 0.00 H Missing atom added: ATOM 21 H5'1 C A 21 -18.524 3.402 -13.332 1.00 0.00 H Missing atom added: ATOM 22 H5'2 C A 21 -18.966 4.245 -14.923 1.00 0.00 H Missing atom added: ATOM 23 H4' C A 21 -17.786 5.587 -13.405 1.00 0.00 H Missing atom added: ATOM 24 H3' C A 21 -16.149 4.874 -15.829 1.00 0.00 H Missing atom added: ATOM 27 H1' C A 21 -14.509 5.288 -12.406 1.00 0.00 H Missing atom added: ATOM 25 H2' C A 21 -14.447 6.349 -14.968 1.00 0.00 H Missing atom added: ATOM 26 HO'2 C A 21 -16.400 7.482 -13.770 1.00 0.00 H Missing atom added: ATOM 30 H6 C A 21 -15.452 2.555 -14.332 1.00 0.00 H Missing atom added: ATOM 28 H41 C A 21 -11.448 0.388 -15.579 1.00 0.00 H Missing atom added: ATOM 29 H42 C A 21 -10.258 1.536 -15.135 1.00 0.00 H Missing atom added: ATOM 31 H5 C A 21 -14.044 0.490 -15.362 1.00 0.00 H Missing atom added: ATOM 24 H5'1 G A 22 -15.560 8.749 -15.371 1.00 0.00 H Missing atom added: ATOM 25 H5'2 G A 22 -15.722 9.733 -16.932 1.00 0.00 H Missing atom added: ATOM 26 H4' G A 22 -13.861 10.351 -15.767 1.00 0.00 H Missing atom added: ATOM 27 H3' G A 22 -13.290 8.782 -18.349 1.00 0.00 H Missing atom added: ATOM 30 H1' G A 22 -10.938 8.664 -15.343 1.00 0.00 H Missing atom added: ATOM 28 H2' G A 22 -10.969 9.340 -18.041 1.00 0.00 H Missing atom added: ATOM 29 HO'2 G A 22 -11.877 11.371 -16.788 1.00 0.00 H Missing atom added: ATOM 31 H8 G A 22 -13.354 6.222 -16.625 1.00 0.00 H Missing atom added: ATOM 34 H1 G A 22 -6.836 4.401 -17.775 1.00 0.00 H Missing atom added: ATOM 32 H21 G A 22 -6.672 7.922 -16.887 1.00 0.00 H Missing atom added: ATOM 33 H22 G A 22 -6.032 6.620 -17.721 1.00 0.00 H Missing atom added: ATOM 21 H5'1 C A 23 -11.038 11.834 -18.697 1.00 0.00 H Missing atom added: ATOM 22 H5'2 C A 23 -11.126 12.683 -20.343 1.00 0.00 H Missing atom added: ATOM 23 H4' C A 23 -8.952 12.318 -19.634 1.00 0.00 H Missing atom added: ATOM 24 H3' C A 23 -9.897 10.279 -21.807 1.00 0.00 H Missing atom added: ATOM 27 H1' C A 23 -7.202 9.470 -19.223 1.00 0.00 H Missing atom added: ATOM 25 H2' C A 23 -7.575 9.585 -21.985 1.00 0.00 H Missing atom added: ATOM 26 HO'2 C A 23 -7.073 11.992 -21.249 1.00 0.00 H Missing atom added: ATOM 30 H6 C A 23 -10.577 8.761 -19.654 1.00 0.00 H Missing atom added: ATOM 28 H41 C A 23 -10.817 4.072 -20.121 1.00 0.00 H Missing atom added: ATOM 29 H42 C A 23 -9.172 3.639 -20.314 1.00 0.00 H Missing atom added: ATOM 31 H5 C A 23 -11.909 6.411 -19.779 1.00 0.00 H Missing atom added: ATOM 24 H5'1 G A 24 -6.683 11.886 -24.535 1.00 0.00 H Missing atom added: ATOM 25 H5'2 G A 24 -7.545 11.439 -26.112 1.00 0.00 H Missing atom added: ATOM 26 H4' G A 24 -5.437 10.486 -25.919 1.00 0.00 H Missing atom added: ATOM 27 H3' G A 24 -7.689 8.635 -26.119 1.00 0.00 H Missing atom added: ATOM 30 H1' G A 24 -4.754 7.697 -23.869 1.00 0.00 H Missing atom added: ATOM 28 H2' G A 24 -6.046 6.832 -26.163 1.00 0.00 H Missing atom added: ATOM 29 HO'2 G A 24 -4.430 8.681 -26.928 1.00 0.00 H Missing atom added: ATOM 31 H8 G A 24 -8.232 8.659 -23.191 1.00 0.00 H Missing atom added: ATOM 34 H1 G A 24 -6.934 2.040 -21.910 1.00 0.00 H Missing atom added: ATOM 32 H21 G A 24 -4.098 3.176 -23.878 1.00 0.00 H Missing atom added: ATOM 33 H22 G A 24 -5.117 1.933 -23.412 1.00 0.00 H Missing atom added: ATOM 24 H5'1 G A 25 -6.358 6.362 -30.780 1.00 0.00 H Missing atom added: ATOM 25 H5'2 G A 25 -7.429 5.435 -29.587 1.00 0.00 H Missing atom added: ATOM 26 H4' G A 25 -5.589 4.302 -30.705 1.00 0.00 H Missing atom added: ATOM 27 H3' G A 25 -4.932 4.662 -27.841 1.00 0.00 H Missing atom added: ATOM 30 H1' G A 25 -2.207 5.046 -30.504 1.00 0.00 H Missing atom added: ATOM 28 H2' G A 25 -2.904 3.551 -28.213 1.00 0.00 H Missing atom added: ATOM 29 HO'2 G A 25 -4.011 2.450 -30.155 1.00 0.00 H Missing atom added: ATOM 31 H8 G A 25 -3.927 6.553 -27.445 1.00 0.00 H Missing atom added: ATOM 34 H1 G A 25 2.513 8.636 -28.594 1.00 0.00 H Missing atom added: ATOM 32 H21 G A 25 1.868 6.157 -31.170 1.00 0.00 H Missing atom added: ATOM 33 H22 G A 25 2.958 6.937 -30.169 1.00 0.00 H Missing atom added: ATOM 23 H5'1 A A 26 -4.512 -0.202 -26.193 1.00 0.00 H Missing atom added: ATOM 24 H5'2 A A 26 -3.296 1.142 -25.804 1.00 0.00 H Missing atom added: ATOM 25 H4' A A 26 -1.994 -0.362 -25.813 1.00 0.00 H Missing atom added: ATOM 26 H3' A A 26 -1.749 0.730 -24.637 1.00 0.00 H Missing atom added: ATOM 29 H1' A A 26 0.437 1.447 -27.570 1.00 0.00 H Missing atom added: ATOM 27 H2' A A 26 0.524 0.632 -24.959 1.00 0.00 H Missing atom added: ATOM 28 HO'2 A A 26 0.097 -1.399 -26.366 1.00 0.00 H Missing atom added: ATOM 30 H8 A A 26 -2.532 3.288 -26.321 1.00 0.00 H Missing atom added: ATOM 31 H61 A A 26 -0.359 7.175 -24.303 1.00 0.00 H Missing atom added: ATOM 32 H62 A A 26 1.280 7.571 -24.034 1.00 0.00 H Missing atom added: ATOM 33 H2 A A 26 4.159 4.061 -25.450 1.00 0.00 H Missing atom added: ATOM 24 H5'1 G A 27 0.794 -0.156 -23.364 1.00 0.00 H Missing atom added: ATOM 25 H5'2 G A 27 0.487 -0.686 -21.616 1.00 0.00 H Missing atom added: ATOM 26 H4' G A 27 1.637 1.383 -21.949 1.00 0.00 H Missing atom added: ATOM 27 H3' G A 27 -0.541 1.538 -20.318 1.00 0.00 H Missing atom added: ATOM 30 H1' G A 27 -0.272 4.331 -22.828 1.00 0.00 H Missing atom added: ATOM 28 H2' G A 27 -0.220 3.881 -20.133 1.00 0.00 H Missing atom added: ATOM 29 HO'2 G A 27 2.128 3.399 -21.002 1.00 0.00 H Missing atom added: ATOM 31 H8 G A 27 -2.566 1.468 -22.798 1.00 0.00 H Missing atom added: ATOM 34 H1 G A 27 -5.614 7.182 -20.522 1.00 0.00 H Missing atom added: ATOM 32 H21 G A 27 -2.060 7.933 -20.439 1.00 0.00 H Missing atom added: ATOM 33 H22 G A 27 -3.594 8.180 -19.820 1.00 0.00 H Missing atom added: ATOM 21 H5'1 C A 28 2.014 3.940 -18.825 1.00 0.00 H Missing atom added: ATOM 22 H5'2 C A 28 2.612 3.555 -17.113 1.00 0.00 H Missing atom added: ATOM 23 H4' C A 28 1.986 5.828 -17.657 1.00 0.00 H Missing atom added: ATOM 24 H3' C A 28 -0.166 4.548 -15.954 1.00 0.00 H Missing atom added: ATOM 27 H1' C A 28 -1.064 7.038 -18.688 1.00 0.00 H Missing atom added: ATOM 25 H2' C A 28 -1.293 6.666 -15.955 1.00 0.00 H Missing atom added: ATOM 26 HO'2 C A 28 1.044 7.619 -16.363 1.00 0.00 H Missing atom added: ATOM 30 H6 C A 28 -1.112 3.554 -18.322 1.00 0.00 H Missing atom added: ATOM 28 H41 C A 28 -5.654 2.288 -18.528 1.00 0.00 H Missing atom added: ATOM 29 H42 C A 28 -6.458 3.797 -18.440 1.00 0.00 H Missing atom added: ATOM 31 H5 C A 28 -3.106 1.739 -18.504 1.00 0.00 H Missing atom added: ATOM 24 H5'1 G A 29 0.218 7.934 -14.475 1.00 0.00 H Missing atom added: ATOM 25 H5'2 G A 29 0.538 8.026 -12.653 1.00 0.00 H Missing atom added: ATOM 26 H4' G A 29 -1.051 9.556 -13.390 1.00 0.00 H Missing atom added: ATOM 27 H3' G A 29 -2.183 7.124 -11.851 1.00 0.00 H Missing atom added: ATOM 30 H1' G A 29 -4.238 8.921 -14.512 1.00 0.00 H Missing atom added: ATOM 28 H2' G A 29 -4.304 8.224 -11.793 1.00 0.00 H Missing atom added: ATOM 29 HO'2 G A 29 -2.960 10.378 -11.931 1.00 0.00 H Missing atom added: ATOM 31 H8 G A 29 -2.501 5.694 -14.492 1.00 0.00 H Missing atom added: ATOM 34 H1 G A 29 -9.344 5.138 -14.514 1.00 0.00 H Missing atom added: ATOM 32 H21 G A 29 -8.698 8.603 -13.627 1.00 0.00 H Missing atom added: ATOM 33 H22 G A 29 -9.686 7.256 -13.529 1.00 0.00 H Missing atom added: ATOM 24 H5'1 G A 30 -3.877 9.494 -10.038 1.00 0.00 H Missing atom added: ATOM 25 H5'2 G A 30 -3.378 9.973 -8.320 1.00 0.00 H Missing atom added: ATOM 26 H4' G A 30 -5.741 9.788 -9.034 1.00 0.00 H Missing atom added: ATOM 27 H3' G A 30 -4.825 7.154 -7.671 1.00 0.00 H Missing atom added: ATOM 30 H1' G A 30 -7.334 7.112 -10.518 1.00 0.00 H Missing atom added: ATOM 28 H2' G A 30 -7.060 6.336 -7.853 1.00 0.00 H Missing atom added: ATOM 29 HO'2 G A 30 -7.733 8.796 -7.805 1.00 0.00 H Missing atom added: ATOM 31 H8 G A 30 -3.772 6.140 -9.848 1.00 0.00 H Missing atom added: ATOM 34 H1 G A 30 -7.793 1.034 -12.059 1.00 0.00 H Missing atom added: ATOM 32 H21 G A 30 -10.082 3.750 -11.289 1.00 0.00 H Missing atom added: ATOM 33 H22 G A 30 -9.794 2.106 -11.412 1.00 0.00 H Missing atom added: ATOM 24 H5'1 G A 31 -8.062 7.712 -6.099 1.00 0.00 H Missing atom added: ATOM 25 H5'2 G A 31 -8.157 8.748 -4.566 1.00 0.00 H Missing atom added: ATOM 26 H4' G A 31 -9.877 7.109 -5.466 1.00 0.00 H Missing atom added: ATOM 27 H3' G A 31 -7.436 5.700 -3.920 1.00 0.00 H Missing atom added: ATOM 30 H1' G A 31 -9.321 3.927 -6.711 1.00 0.00 H Missing atom added: ATOM 28 H2' G A 31 -8.771 3.504 -3.983 1.00 0.00 H Missing atom added: ATOM 29 HO'2 G A 31 -10.831 5.070 -3.889 1.00 0.00 H Missing atom added: ATOM 31 H8 G A 31 -6.032 4.710 -5.138 1.00 0.00 H Missing atom added: ATOM 34 H1 G A 31 -6.454 -0.654 -9.403 1.00 0.00 H Missing atom added: ATOM 32 H21 G A 31 -9.875 0.518 -9.045 1.00 0.00 H Missing atom added: ATOM 33 H22 G A 31 -8.810 -0.742 -9.325 1.00 0.00 H Missing atom added: ATOM 23 H5'1 A A 32 -11.986 6.445 -2.534 1.00 0.00 H Missing atom added: ATOM 24 H5'2 A A 32 -12.234 6.238 -0.708 1.00 0.00 H Missing atom added: ATOM 25 H4' A A 32 -14.101 5.968 -2.264 1.00 0.00 H Missing atom added: ATOM 26 H3' A A 32 -12.436 3.261 -1.830 1.00 0.00 H Missing atom added: ATOM 29 H1' A A 32 -14.443 3.970 -4.990 1.00 0.00 H Missing atom added: ATOM 27 H2' A A 32 -14.273 2.036 -2.955 1.00 0.00 H Missing atom added: ATOM 28 HO'2 A A 32 -15.755 3.902 -1.944 1.00 0.00 H Missing atom added: ATOM 30 H8 A A 32 -10.905 3.820 -4.164 1.00 0.00 H Missing atom added: ATOM 31 H61 A A 32 -9.725 0.188 -7.219 1.00 0.00 H Missing atom added: ATOM 32 H62 A A 32 -10.666 -0.837 -8.210 1.00 0.00 H Missing atom added: ATOM 33 H2 A A 32 -15.310 0.037 -7.687 1.00 0.00 H Missing atom added: ATOM 24 H5'1 G A 33 -15.828 1.657 -0.836 1.00 0.00 H Missing atom added: ATOM 25 H5'2 G A 33 -15.775 0.656 0.722 1.00 0.00 H Missing atom added: ATOM 26 H4' G A 33 -16.794 -0.492 -0.977 1.00 0.00 H Missing atom added: ATOM 27 H3' G A 33 -13.882 -1.444 -0.377 1.00 0.00 H Missing atom added: ATOM 30 H1' G A 33 -15.502 -1.834 -3.795 1.00 0.00 H Missing atom added: ATOM 28 H2' G A 33 -14.361 -3.361 -1.813 1.00 0.00 H Missing atom added: ATOM 29 HO'2 G A 33 -16.795 -2.940 -1.062 1.00 0.00 H Missing atom added: ATOM 31 H8 G A 33 -12.913 0.379 -2.316 1.00 0.00 H Missing atom added: ATOM 34 H1 G A 33 -10.474 -3.936 -7.065 1.00 0.00 H Missing atom added: ATOM 32 H21 G A 33 -13.800 -5.185 -6.299 1.00 0.00 H Missing atom added: ATOM 33 H22 G A 33 -12.231 -5.489 -6.797 1.00 0.00 H Missing atom added: ATOM 21 H5'1 U A 34 -15.748 -4.741 -0.026 1.00 0.00 H Missing atom added: ATOM 22 H5'2 U A 34 -15.587 -5.619 1.598 1.00 0.00 H Missing atom added: ATOM 23 H4' U A 34 -15.530 -6.958 -0.381 1.00 0.00 H Missing atom added: ATOM 24 H3' U A 34 -12.643 -6.486 0.662 1.00 0.00 H Missing atom added: ATOM 27 H1' U A 34 -13.467 -6.962 -3.038 1.00 0.00 H Missing atom added: ATOM 25 H2' U A 34 -11.941 -8.109 -1.037 1.00 0.00 H Missing atom added: ATOM 26 HO'2 U A 34 -14.328 -9.032 -0.711 1.00 0.00 H Missing atom added: ATOM 29 H6 U A 34 -12.700 -4.281 -0.909 1.00 0.00 H Missing atom added: ATOM 30 H3 U A 34 -9.043 -5.666 -4.340 1.00 0.00 H Missing atom added: ATOM 28 H5 U A 34 -10.770 -2.771 -1.222 1.00 0.00 H Missing atom added: ATOM 24 H5'1 G A 35 -12.622 -10.450 0.482 1.00 0.00 H Missing atom added: ATOM 25 H5'2 G A 35 -11.929 -11.216 2.020 1.00 0.00 H Missing atom added: ATOM 26 H4' G A 35 -11.056 -12.084 0.025 1.00 0.00 H Missing atom added: ATOM 27 H3' G A 35 -9.050 -10.364 1.531 1.00 0.00 H Missing atom added: ATOM 30 H1' G A 35 -9.033 -10.542 -2.274 1.00 0.00 H Missing atom added: ATOM 28 H2' G A 35 -7.410 -11.057 -0.103 1.00 0.00 H Missing atom added: ATOM 29 HO'2 G A 35 -8.926 -13.107 -0.365 1.00 0.00 H Missing atom added: ATOM 31 H8 G A 35 -10.174 -7.932 0.054 1.00 0.00 H Missing atom added: ATOM 34 H1 G A 35 -4.315 -6.288 -3.125 1.00 0.00 H Missing atom added: ATOM 32 H21 G A 35 -4.718 -9.853 -3.709 1.00 0.00 H Missing atom added: ATOM 33 H22 G A 35 -3.705 -8.534 -3.521 1.00 0.00 H Missing atom added: ATOM 23 H5'1 A A 36 -6.927 -13.923 1.169 1.00 0.00 H Missing atom added: ATOM 24 H5'2 A A 36 -6.121 -14.292 2.796 1.00 0.00 H Missing atom added: ATOM 25 H4' A A 36 -4.805 -14.460 0.777 1.00 0.00 H Missing atom added: ATOM 26 H3' A A 36 -3.827 -12.286 2.440 1.00 0.00 H Missing atom added: ATOM 29 H1' A A 36 -3.934 -11.791 -1.328 1.00 0.00 H Missing atom added: ATOM 27 H2' A A 36 -2.154 -11.878 0.763 1.00 0.00 H Missing atom added: ATOM 28 HO'2 A A 36 -2.614 -14.303 0.092 1.00 0.00 H Missing atom added: ATOM 30 H8 A A 36 -6.053 -10.420 1.365 1.00 0.00 H Missing atom added: ATOM 31 H61 A A 36 -4.548 -5.768 1.296 1.00 0.00 H Missing atom added: ATOM 32 H62 A A 36 -3.292 -4.974 0.454 1.00 0.00 H Missing atom added: ATOM 33 H2 A A 36 -0.780 -8.030 -2.185 1.00 0.00 H Missing atom added: ATOM 24 H5'1 G A 37 -0.488 -14.026 1.362 1.00 0.00 H Missing atom added: ATOM 25 H5'2 G A 37 0.538 -14.458 2.843 1.00 0.00 H Missing atom added: ATOM 26 H4' G A 37 1.579 -13.328 0.972 1.00 0.00 H Missing atom added: ATOM 27 H3' G A 37 1.499 -11.588 3.318 1.00 0.00 H Missing atom added: ATOM 30 H1' G A 37 0.857 -10.082 -0.131 1.00 0.00 H Missing atom added: ATOM 28 H2' G A 37 2.611 -9.923 2.033 1.00 0.00 H Missing atom added: ATOM 29 HO'2 G A 37 3.399 -11.865 0.603 1.00 0.00 H Missing atom added: ATOM 31 H8 G A 37 -1.509 -10.767 2.562 1.00 0.00 H Missing atom added: ATOM 34 H1 G A 37 -0.017 -4.089 2.010 1.00 0.00 H Missing atom added: ATOM 32 H21 G A 37 2.570 -5.777 0.099 1.00 0.00 H Missing atom added: ATOM 33 H22 G A 37 2.094 -4.470 1.029 1.00 0.00 H Missing atom added: ATOM 24 H5'1 G A 38 4.709 -10.796 2.315 1.00 0.00 H Missing atom added: ATOM 25 H5'2 G A 38 6.145 -11.379 3.330 1.00 0.00 H Missing atom added: ATOM 26 H4' G A 38 6.136 -9.102 2.531 1.00 0.00 H Missing atom added: ATOM 27 H3' G A 38 5.247 -9.316 5.494 1.00 0.00 H Missing atom added: ATOM 30 H1' G A 38 3.865 -6.601 3.236 1.00 0.00 H Missing atom added: ATOM 28 H2' G A 38 5.245 -6.964 5.647 1.00 0.00 H Missing atom added: ATOM 29 HO'2 G A 38 6.986 -6.996 3.819 1.00 0.00 H Missing atom added: ATOM 31 H8 G A 38 2.797 -9.743 5.036 1.00 0.00 H Missing atom added: ATOM 34 H1 G A 38 -1.099 -4.217 6.233 1.00 0.00 H Missing atom added: ATOM 32 H21 G A 38 1.778 -2.946 4.413 1.00 0.00 H Missing atom added: ATOM 33 H22 G A 38 0.557 -2.691 5.529 1.00 0.00 H Missing atom added: ATOM 23 H5'1 A A 39 9.213 -7.468 3.997 1.00 0.00 H Missing atom added: ATOM 24 H5'2 A A 39 10.563 -8.039 5.132 1.00 0.00 H Missing atom added: ATOM 25 H4' A A 39 10.617 -5.956 3.736 1.00 0.00 H Missing atom added: ATOM 26 H3' A A 39 9.703 -5.437 6.629 1.00 0.00 H Missing atom added: ATOM 29 H1' A A 39 8.189 -3.409 3.743 1.00 0.00 H Missing atom added: ATOM 27 H2' A A 39 9.639 -3.154 6.297 1.00 0.00 H Missing atom added: ATOM 28 HO'2 A A 39 11.368 -3.317 4.600 1.00 0.00 H Missing atom added: ATOM 30 H8 A A 39 7.068 -5.717 6.414 1.00 0.00 H Missing atom added: ATOM 31 H61 A A 39 3.129 -3.073 7.604 1.00 0.00 H Missing atom added: ATOM 32 H62 A A 39 2.533 -1.575 7.042 1.00 0.00 H Missing atom added: ATOM 33 H2 A A 39 5.438 0.333 3.797 1.00 0.00 H Missing atom added: ATOM 24 H5'1 G A 40 11.978 -2.912 3.553 1.00 0.00 H Missing atom added: ATOM 25 H5'2 G A 40 13.345 -1.866 4.238 1.00 0.00 H Missing atom added: ATOM 26 H4' G A 40 11.804 -0.879 2.662 1.00 0.00 H Missing atom added: ATOM 27 H3' G A 40 11.565 0.306 5.318 1.00 0.00 H Missing atom added: ATOM 30 H1' G A 40 8.388 -0.257 3.342 1.00 0.00 H Missing atom added: ATOM 28 H2' G A 40 9.887 1.756 4.481 1.00 0.00 H Missing atom added: ATOM 29 HO'2 G A 40 10.914 1.276 2.204 1.00 0.00 H Missing atom added: ATOM 31 H8 G A 40 9.716 -2.160 6.179 1.00 0.00 H Missing atom added: ATOM 34 H1 G A 40 4.636 2.056 8.063 1.00 0.00 H Missing atom added: ATOM 32 H21 G A 40 5.630 3.218 4.768 1.00 0.00 H Missing atom added: ATOM 33 H22 G A 40 4.994 3.556 6.278 1.00 0.00 H Missing atom added: ATOM 21 H5'1 C A 41 10.795 2.923 3.853 1.00 0.00 H Missing atom added: ATOM 22 H5'2 C A 41 11.758 4.492 4.071 1.00 0.00 H Missing atom added: ATOM 23 H4' C A 41 9.450 4.632 4.563 1.00 0.00 H Missing atom added: ATOM 24 H3' C A 41 11.206 4.401 7.126 1.00 0.00 H Missing atom added: ATOM 27 H1' C A 41 7.655 3.087 7.020 1.00 0.00 H Missing atom added: ATOM 25 H2' C A 41 9.229 4.867 8.421 1.00 0.00 H Missing atom added: ATOM 26 HO'2 C A 41 8.456 6.108 6.308 1.00 0.00 H Missing atom added: ATOM 30 H6 C A 41 10.844 1.713 6.699 1.00 0.00 H Missing atom added: ATOM 28 H41 C A 41 11.428 -1.116 10.432 1.00 0.00 H Missing atom added: ATOM 29 H42 C A 41 10.093 -0.697 11.419 1.00 0.00 H Missing atom added: ATOM 31 H5 C A 41 12.146 -0.198 8.101 1.00 0.00 H Missing atom added: ATOM 24 H5'1 G A 42 9.169 7.549 8.265 1.00 0.00 H Missing atom added: ATOM 25 H5'2 G A 42 10.236 8.904 8.940 1.00 0.00 H Missing atom added: ATOM 26 H4' G A 42 8.482 8.308 10.350 1.00 0.00 H Missing atom added: ATOM 27 H3' G A 42 11.238 7.336 11.309 1.00 0.00 H Missing atom added: ATOM 30 H1' G A 42 8.073 5.400 12.124 1.00 0.00 H Missing atom added: ATOM 28 H2' G A 42 10.181 6.678 13.374 1.00 0.00 H Missing atom added: ATOM 29 HO'2 G A 42 8.482 8.507 12.795 1.00 0.00 H Missing atom added: ATOM 31 H8 G A 42 10.781 4.807 9.709 1.00 0.00 H Missing atom added: ATOM 34 H1 G A 42 10.965 0.502 15.053 1.00 0.00 H Missing atom added: ATOM 32 H21 G A 42 8.703 3.154 16.078 1.00 0.00 H Missing atom added: ATOM 33 H22 G A 42 9.815 1.976 16.494 1.00 0.00 H Missing atom added: ATOM 24 H5'1 G A 43 9.787 8.938 14.456 1.00 0.00 H Missing atom added: ATOM 25 H5'2 G A 43 10.879 10.163 15.315 1.00 0.00 H Missing atom added: ATOM 26 H4' G A 43 9.834 8.586 16.721 1.00 0.00 H Missing atom added: ATOM 27 H3' G A 43 12.815 8.024 16.376 1.00 0.00 H Missing atom added: ATOM 30 H1' G A 43 10.305 5.200 16.889 1.00 0.00 H Missing atom added: ATOM 28 H2' G A 43 12.589 6.311 18.027 1.00 0.00 H Missing atom added: ATOM 29 HO'2 G A 43 10.622 7.698 18.860 1.00 0.00 H Missing atom added: ATOM 31 H8 G A 43 12.068 6.348 13.881 1.00 0.00 H Missing atom added: ATOM 34 H1 G A 43 14.483 0.389 16.288 1.00 0.00 H Missing atom added: ATOM 32 H21 G A 43 12.472 1.737 18.999 1.00 0.00 H Missing atom added: ATOM 33 H22 G A 43 13.765 0.799 18.499 1.00 0.00 H Missing atom added: ATOM 21 H5'1 U A 44 12.330 7.803 20.094 1.00 0.00 H Missing atom added: ATOM 22 H5'2 U A 44 13.419 8.882 21.135 1.00 0.00 H Missing atom added: ATOM 23 H4' U A 44 13.150 6.642 21.874 1.00 0.00 H Missing atom added: ATOM 24 H3' U A 44 15.860 7.156 20.476 1.00 0.00 H Missing atom added: ATOM 27 H1' U A 44 14.165 3.740 20.347 1.00 0.00 H Missing atom added: ATOM 25 H2' U A 44 16.555 4.969 21.171 1.00 0.00 H Missing atom added: ATOM 26 HO'2 U A 44 14.911 5.288 23.087 1.00 0.00 H Missing atom added: ATOM 29 H6 U A 44 14.612 6.464 18.185 1.00 0.00 H Missing atom added: ATOM 30 H3 U A 44 17.126 2.061 17.024 1.00 0.00 H Missing atom added: ATOM 28 H5 U A 44 15.678 6.286 15.963 1.00 0.00 H Missing atom added: ATOM 23 H5'1 A A 45 17.258 5.529 23.365 1.00 0.00 H Missing atom added: ATOM 24 H5'2 A A 45 18.326 6.490 24.535 1.00 0.00 H Missing atom added: ATOM 25 H4' A A 45 19.097 4.324 23.902 1.00 0.00 H Missing atom added: ATOM 26 H3' A A 45 20.345 6.731 22.313 1.00 0.00 H Missing atom added: ATOM 29 H1' A A 45 20.074 3.278 20.747 1.00 0.00 H Missing atom added: ATOM 27 H2' A A 45 22.007 5.206 21.402 1.00 0.00 H Missing atom added: ATOM 28 HO'2 A A 45 21.631 3.875 23.566 1.00 0.00 H Missing atom added: ATOM 30 H8 A A 45 18.717 6.726 20.344 1.00 0.00 H Missing atom added: ATOM 31 H61 A A 45 19.734 7.157 15.579 1.00 0.00 H Missing atom added: ATOM 32 H62 A A 45 20.536 6.132 14.474 1.00 0.00 H Missing atom added: ATOM 33 H2 A A 45 22.156 2.208 16.617 1.00 0.00 H Missing atom added: ATOM 21 H5'1 U A 46 24.010 6.486 23.164 1.00 0.00 H Missing atom added: ATOM 22 H5'2 U A 46 24.544 8.066 23.972 1.00 0.00 H Missing atom added: ATOM 23 H4' U A 46 25.679 7.837 22.066 1.00 0.00 H Missing atom added: ATOM 24 H3' U A 46 23.510 9.987 22.485 1.00 0.00 H Missing atom added: ATOM 27 H1' U A 46 24.298 8.789 18.965 1.00 0.00 H Missing atom added: ATOM 25 H2' U A 46 24.307 11.143 20.520 1.00 0.00 H Missing atom added: ATOM 26 HO'2 U A 46 26.546 10.020 20.998 1.00 0.00 H Missing atom added: ATOM 29 H6 U A 46 21.796 8.763 21.484 1.00 0.00 H Missing atom added: ATOM 30 H3 U A 46 20.612 10.623 16.773 1.00 0.00 H Missing atom added: ATOM 28 H5 U A 46 19.433 9.296 21.008 1.00 0.00 H Missing atom added: ATOM 23 H5'1 A A 47 26.699 12.457 21.687 1.00 0.00 H Missing atom added: ATOM 24 H5'2 A A 47 26.901 13.776 22.974 1.00 0.00 H Missing atom added: ATOM 25 H4' A A 47 26.829 14.642 20.840 1.00 0.00 H Missing atom added: ATOM 26 H3' A A 47 24.451 15.094 22.721 1.00 0.00 H Missing atom added: ATOM 29 H1' A A 47 23.870 14.973 18.968 1.00 0.00 H Missing atom added: ATOM 27 H2' A A 47 23.551 16.679 21.193 1.00 0.00 H Missing atom added: ATOM 28 HO'2 A A 47 25.926 17.030 20.391 1.00 0.00 H Missing atom added: ATOM 30 H8 A A 47 23.035 13.004 22.036 1.00 0.00 H Missing atom added: ATOM 31 H61 A A 47 18.202 12.841 21.313 1.00 0.00 H Missing atom added: ATOM 32 H62 A A 47 17.190 13.531 20.123 1.00 0.00 H Missing atom added: ATOM 33 H2 A A 47 19.677 16.203 17.076 1.00 0.00 H Missing atom added: ATOM 21 H5'1 C A 48 25.284 18.872 21.954 1.00 0.00 H Missing atom added: ATOM 22 H5'2 C A 48 25.725 19.873 23.450 1.00 0.00 H Missing atom added: ATOM 23 H4' C A 48 24.104 20.904 22.204 1.00 0.00 H Missing atom added: ATOM 24 H3' C A 48 23.328 19.301 24.811 1.00 0.00 H Missing atom added: ATOM 27 H1' C A 48 20.756 19.931 22.095 1.00 0.00 H Missing atom added: ATOM 25 H2' C A 48 21.180 20.382 24.850 1.00 0.00 H Missing atom added: ATOM 26 HO'2 C A 48 22.322 22.328 23.674 1.00 0.00 H Missing atom added: ATOM 30 H6 C A 48 22.743 17.444 23.631 1.00 0.00 H Missing atom added: ATOM 28 H41 C A 48 19.668 13.980 24.537 1.00 0.00 H Missing atom added: ATOM 29 H42 C A 48 18.171 14.707 24.137 1.00 0.00 H Missing atom added: ATOM 31 H5 C A 48 22.086 14.948 24.434 1.00 0.00 H Missing atom added: ATOM 21 H5'1 U A 49 21.980 22.795 26.302 1.00 0.00 H Missing atom added: ATOM 22 H5'2 U A 49 22.731 23.187 27.950 1.00 0.00 H Missing atom added: ATOM 23 H4' U A 49 20.412 23.189 27.984 1.00 0.00 H Missing atom added: ATOM 24 H3' U A 49 22.027 20.747 29.100 1.00 0.00 H Missing atom added: ATOM 27 H1' U A 49 18.454 20.265 27.906 1.00 0.00 H Missing atom added: ATOM 25 H2' U A 49 20.035 19.944 30.229 1.00 0.00 H Missing atom added: ATOM 26 HO'2 U A 49 19.296 22.386 30.276 1.00 0.00 H Missing atom added: ATOM 29 H6 U A 49 21.840 19.478 27.209 1.00 0.00 H Missing atom added: ATOM 30 H3 U A 49 18.359 15.636 27.631 1.00 0.00 H Missing atom added: ATOM 28 H5 U A 49 22.556 17.192 26.609 1.00 0.00 H Missing atom added: ATOM 24 H5'1 G A 50 20.279 21.031 32.324 1.00 0.00 H Missing atom added: ATOM 25 H5'2 G A 50 21.373 21.222 33.806 1.00 0.00 H Missing atom added: ATOM 26 H4' G A 50 19.906 19.395 33.907 1.00 0.00 H Missing atom added: ATOM 27 H3' G A 50 22.883 18.808 33.330 1.00 0.00 H Missing atom added: ATOM 30 H1' G A 50 20.188 16.473 32.006 1.00 0.00 H Missing atom added: ATOM 28 H2' G A 50 22.445 16.461 33.682 1.00 0.00 H Missing atom added: ATOM 29 HO'2 G A 50 20.511 17.252 35.153 1.00 0.00 H Missing atom added: ATOM 31 H8 G A 50 22.635 18.882 30.617 1.00 0.00 H Missing atom added: ATOM 34 H1 G A 50 23.354 12.417 28.424 1.00 0.00 H Missing atom added: ATOM 32 H21 G A 50 21.070 12.191 31.242 1.00 0.00 H Missing atom added: ATOM 33 H22 G A 50 22.252 11.484 30.292 1.00 0.00 H Missing atom added: ATOM 21 H5'1 U A 51 22.269 16.397 36.319 1.00 0.00 H Missing atom added: ATOM 22 H5'2 U A 51 23.438 16.565 37.746 1.00 0.00 H Missing atom added: ATOM 23 H4' U A 51 23.023 14.360 36.908 1.00 0.00 H Missing atom added: ATOM 24 H3' U A 51 25.698 15.574 35.880 1.00 0.00 H Missing atom added: ATOM 27 H1' U A 51 23.719 13.070 33.801 1.00 0.00 H Missing atom added: ATOM 25 H2' U A 51 26.242 13.399 34.967 1.00 0.00 H Missing atom added: ATOM 26 HO'2 U A 51 24.738 12.494 36.829 1.00 0.00 H Missing atom added: ATOM 29 H6 U A 51 24.427 16.526 33.889 1.00 0.00 H Missing atom added: ATOM 30 H3 U A 51 26.195 13.789 29.834 1.00 0.00 H Missing atom added: ATOM 28 H5 U A 51 25.362 17.767 31.970 1.00 0.00 H Missing atom added: ATOM 21 H5'1 U A 52 27.053 12.139 37.135 1.00 0.00 H Missing atom added: ATOM 22 H5'2 U A 52 28.503 12.233 38.285 1.00 0.00 H Missing atom added: ATOM 23 H4' U A 52 28.693 10.711 36.471 1.00 0.00 H Missing atom added: ATOM 24 H3' U A 52 30.284 13.328 36.099 1.00 0.00 H Missing atom added: ATOM 27 H1' U A 52 28.867 11.454 33.099 1.00 0.00 H Missing atom added: ATOM 25 H2' U A 52 31.311 12.330 34.145 1.00 0.00 H Missing atom added: ATOM 26 HO'2 U A 52 30.826 10.104 35.308 1.00 0.00 H Missing atom added: ATOM 29 H6 U A 52 28.261 14.378 34.980 1.00 0.00 H Missing atom added: ATOM 30 H3 U A 52 29.687 14.940 30.009 1.00 0.00 H Missing atom added: ATOM 28 H5 U A 52 28.104 16.629 33.974 1.00 0.00 H Missing atom added: ATOM 24 H5'1 G A 53 33.174 10.700 35.371 1.00 0.00 H Missing atom added: ATOM 25 H5'2 G A 53 34.728 11.046 36.316 1.00 0.00 H Missing atom added: ATOM 26 H4' G A 53 34.965 10.688 33.978 1.00 0.00 H Missing atom added: ATOM 27 H3' G A 53 35.364 13.575 34.808 1.00 0.00 H Missing atom added: ATOM 30 H1' G A 53 33.814 12.764 31.433 1.00 0.00 H Missing atom added: ATOM 28 H2' G A 53 36.009 14.055 32.540 1.00 0.00 H Missing atom added: ATOM 29 HO'2 G A 53 36.624 11.573 32.440 1.00 0.00 H Missing atom added: ATOM 31 H8 G A 53 32.395 14.059 34.564 1.00 0.00 H Missing atom added: ATOM 34 H1 G A 53 32.721 18.774 29.586 1.00 0.00 H Missing atom added: ATOM 32 H21 G A 53 34.853 16.065 28.437 1.00 0.00 H Missing atom added: ATOM 33 H22 G A 53 34.491 17.699 28.453 1.00 0.00 H Missing atom added: ATOM 24 H5'1 G A 54 38.643 12.857 32.608 1.00 0.00 H Missing atom added: ATOM 25 H5'2 G A 54 40.207 13.338 33.475 1.00 0.00 H Missing atom added: ATOM 26 H4' G A 54 39.975 14.044 31.211 1.00 0.00 H Missing atom added: ATOM 27 H3' G A 54 39.604 16.309 33.225 1.00 0.00 H Missing atom added: ATOM 30 H1' G A 54 37.686 16.308 29.936 1.00 0.00 H Missing atom added: ATOM 28 H2' G A 54 39.518 17.838 31.382 1.00 0.00 H Missing atom added: ATOM 29 HO'2 G A 54 40.889 16.084 30.141 1.00 0.00 H Missing atom added: ATOM 31 H8 G A 54 36.695 15.661 33.418 1.00 0.00 H Missing atom added: ATOM 34 H1 G A 54 34.164 21.519 30.889 1.00 0.00 H Missing atom added: ATOM 32 H21 G A 54 36.761 20.542 28.542 1.00 0.00 H Missing atom added: ATOM 33 H22 G A 54 35.870 21.755 29.274 1.00 0.00 H Missing atom added: ATOM 21 H5'1 U A 55 42.238 17.816 30.761 1.00 0.00 H Missing atom added: ATOM 22 H5'2 U A 55 43.819 18.392 31.537 1.00 0.00 H Missing atom added: ATOM 23 H4' U A 55 42.799 19.816 29.901 1.00 0.00 H Missing atom added: ATOM 24 H3' U A 55 42.184 20.741 32.806 1.00 0.00 H Missing atom added: ATOM 27 H1' U A 55 39.740 21.348 29.952 1.00 0.00 H Missing atom added: ATOM 25 H2' U A 55 41.204 22.731 31.891 1.00 0.00 H Missing atom added: ATOM 26 HO'2 U A 55 42.802 22.360 29.939 1.00 0.00 H Missing atom added: ATOM 29 H6 U A 55 40.122 19.186 32.723 1.00 0.00 H Missing atom added: ATOM 30 H3 U A 55 36.141 22.533 32.820 1.00 0.00 H Missing atom added: ATOM 28 H5 U A 55 38.417 18.910 34.488 1.00 0.00 H Missing atom added: ATOM 21 H5'1 C A 56 43.648 24.057 31.122 1.00 0.00 H Missing atom added: ATOM 22 H5'2 C A 56 45.071 24.829 32.025 1.00 0.00 H Missing atom added: ATOM 23 H4' C A 56 43.364 26.283 31.165 1.00 0.00 H Missing atom added: ATOM 24 H3' C A 56 43.045 25.725 34.206 1.00 0.00 H Missing atom added: ATOM 27 H1' C A 56 40.031 26.418 31.979 1.00 0.00 H Missing atom added: ATOM 25 H2' C A 56 41.322 27.417 34.256 1.00 0.00 H Missing atom added: ATOM 26 HO'2 C A 56 42.568 28.419 32.260 1.00 0.00 H Missing atom added: ATOM 30 H6 C A 56 41.590 23.716 33.571 1.00 0.00 H Missing atom added: ATOM 28 H41 C A 56 38.275 21.927 36.415 1.00 0.00 H Missing atom added: ATOM 29 H42 C A 56 37.044 23.114 36.331 1.00 0.00 H Missing atom added: ATOM 31 H5 C A 56 40.604 21.837 35.245 1.00 0.00 H Missing atom added: ATOM 24 H5'1 G A 57 42.917 29.626 34.249 1.00 0.00 H Missing atom added: ATOM 25 H5'2 G A 57 44.114 30.445 35.401 1.00 0.00 H Missing atom added: ATOM 26 H4' G A 57 41.851 31.210 35.453 1.00 0.00 H Missing atom added: ATOM 27 H3' G A 57 42.562 29.351 37.812 1.00 0.00 H Missing atom added: ATOM 30 H1' G A 57 39.030 29.462 36.386 1.00 0.00 H Missing atom added: ATOM 28 H2' G A 57 40.432 29.872 38.781 1.00 0.00 H Missing atom added: ATOM 29 HO'2 G A 57 40.612 32.057 37.483 1.00 0.00 H Missing atom added: ATOM 31 H8 G A 57 41.810 27.029 36.305 1.00 0.00 H Missing atom added: ATOM 34 H1 G A 57 36.232 24.834 39.651 1.00 0.00 H Missing atom added: ATOM 32 H21 G A 57 35.714 28.405 39.231 1.00 0.00 H Missing atom added: ATOM 33 H22 G A 57 35.451 27.011 40.117 1.00 0.00 H Missing atom added: ATOM 21 H5'1 U A 58 41.079 32.499 39.662 1.00 0.00 H Missing atom added: ATOM 22 H5'2 U A 58 42.164 33.191 40.996 1.00 0.00 H Missing atom added: ATOM 23 H4' U A 58 39.855 32.935 41.519 1.00 0.00 H Missing atom added: ATOM 24 H3' U A 58 41.634 30.677 42.696 1.00 0.00 H Missing atom added: ATOM 27 H1' U A 58 37.999 30.057 41.735 1.00 0.00 H Missing atom added: ATOM 25 H2' U A 58 39.705 29.926 43.947 1.00 0.00 H Missing atom added: ATOM 26 HO'2 U A 58 38.948 32.365 43.802 1.00 0.00 H Missing atom added: ATOM 29 H6 U A 58 41.219 29.358 40.492 1.00 0.00 H Missing atom added: ATOM 30 H3 U A 58 38.347 25.339 42.124 1.00 0.00 H Missing atom added: ATOM 28 H5 U A 58 42.020 27.078 39.985 1.00 0.00 H Missing atom added: ATOM 21 H5'1 C A 59 39.761 31.866 45.937 1.00 0.00 H Missing atom added: ATOM 22 H5'2 C A 59 40.840 32.371 47.358 1.00 0.00 H Missing atom added: ATOM 23 H4' C A 59 38.962 30.985 47.859 1.00 0.00 H Missing atom added: ATOM 24 H3' C A 59 41.623 29.400 47.771 1.00 0.00 H Missing atom added: ATOM 27 H1' C A 59 38.296 27.785 46.834 1.00 0.00 H Missing atom added: ATOM 25 H2' C A 59 40.427 27.499 48.636 1.00 0.00 H Missing atom added: ATOM 26 HO'2 C A 59 38.866 29.230 49.673 1.00 0.00 H Missing atom added: ATOM 30 H6 C A 59 41.223 29.008 45.316 1.00 0.00 H Missing atom added: ATOM 28 H41 C A 59 42.917 25.340 42.874 1.00 0.00 H Missing atom added: ATOM 29 H42 C A 59 41.924 24.054 43.413 1.00 0.00 H Missing atom added: ATOM 31 H5 C A 59 42.907 27.861 43.537 1.00 0.00 H Missing atom added: ATOM 23 H5'1 A A 60 40.251 28.244 51.254 1.00 0.00 H Missing atom added: ATOM 24 H5'2 A A 60 41.409 28.512 52.676 1.00 0.00 H Missing atom added: ATOM 25 H4' A A 60 40.322 26.393 52.553 1.00 0.00 H Missing atom added: ATOM 26 H3' A A 60 43.259 26.263 51.624 1.00 0.00 H Missing atom added: ATOM 29 H1' A A 60 40.622 23.963 50.138 1.00 0.00 H Missing atom added: ATOM 27 H2' A A 60 43.047 23.884 51.506 1.00 0.00 H Missing atom added: ATOM 28 HO'2 A A 60 41.238 24.179 53.279 1.00 0.00 H Missing atom added: ATOM 30 H8 A A 60 42.332 26.957 48.846 1.00 0.00 H Missing atom added: ATOM 31 H61 A A 60 44.934 24.845 45.285 1.00 0.00 H Missing atom added: ATOM 32 H62 A A 60 45.175 23.212 44.846 1.00 0.00 H Missing atom added: ATOM 33 H2 A A 60 42.933 20.268 47.831 1.00 0.00 H Missing atom added: ATOM 21 H5'1 U A 61 43.201 23.349 54.298 1.00 0.00 H Missing atom added: ATOM 22 H5'2 U A 61 44.480 23.488 55.631 1.00 0.00 H Missing atom added: ATOM 23 H4' U A 61 44.190 21.344 54.621 1.00 0.00 H Missing atom added: ATOM 24 H3' U A 61 46.667 22.892 53.594 1.00 0.00 H Missing atom added: ATOM 27 H1' U A 61 44.807 20.437 51.346 1.00 0.00 H Missing atom added: ATOM 25 H2' U A 61 47.359 20.896 52.439 1.00 0.00 H Missing atom added: ATOM 26 HO'2 U A 61 46.060 19.644 54.235 1.00 0.00 H Missing atom added: ATOM 29 H6 U A 61 45.363 23.912 51.807 1.00 0.00 H Missing atom added: ATOM 30 H3 U A 61 46.792 21.755 47.294 1.00 0.00 H Missing atom added: ATOM 28 H5 U A 61 46.076 25.411 49.980 1.00 0.00 H Missing atom added: ATOM 21 H5'1 U A 62 48.088 19.299 54.899 1.00 0.00 H Missing atom added: ATOM 22 H5'2 U A 62 49.517 19.433 56.071 1.00 0.00 H Missing atom added: ATOM 23 H4' U A 62 49.617 17.761 54.345 1.00 0.00 H Missing atom added: ATOM 24 H3' U A 62 51.384 20.190 53.790 1.00 0.00 H Missing atom added: ATOM 27 H1' U A 62 49.746 18.303 50.911 1.00 0.00 H Missing atom added: ATOM 25 H2' U A 62 52.279 19.034 51.890 1.00 0.00 H Missing atom added: ATOM 26 HO'2 U A 62 51.644 16.908 53.130 1.00 0.00 H Missing atom added: ATOM 29 H6 U A 62 49.507 21.375 52.668 1.00 0.00 H Missing atom added: ATOM 30 H3 U A 62 50.651 21.533 47.596 1.00 0.00 H Missing atom added: ATOM 28 H5 U A 62 49.509 23.576 51.548 1.00 0.00 H Missing atom added: ATOM 24 H5'1 G A 63 53.853 16.946 53.366 1.00 0.00 H Missing atom added: ATOM 25 H5'2 G A 63 55.455 17.160 54.270 1.00 0.00 H Missing atom added: ATOM 26 H4' G A 63 55.566 16.337 52.029 1.00 0.00 H Missing atom added: ATOM 27 H3' G A 63 56.530 19.175 52.409 1.00 0.00 H Missing atom added: ATOM 30 H1' G A 63 54.811 18.216 49.155 1.00 0.00 H Missing atom added: ATOM 28 H2' G A 63 57.252 19.184 50.123 1.00 0.00 H Missing atom added: ATOM 29 HO'2 G A 63 57.365 16.649 50.362 1.00 0.00 H Missing atom added: ATOM 31 H8 G A 63 53.857 20.281 52.051 1.00 0.00 H Missing atom added: ATOM 34 H1 G A 63 54.738 23.845 46.250 1.00 0.00 H Missing atom added: ATOM 32 H21 G A 63 56.215 20.596 45.575 1.00 0.00 H Missing atom added: ATOM 33 H22 G A 63 56.179 22.244 45.289 1.00 0.00 H Missing atom added: ATOM 24 H5'1 G A 64 59.489 17.174 50.439 1.00 0.00 H Missing atom added: ATOM 25 H5'2 G A 64 61.151 17.321 51.243 1.00 0.00 H Missing atom added: ATOM 26 H4' G A 64 61.002 17.489 48.839 1.00 0.00 H Missing atom added: ATOM 27 H3' G A 64 61.318 20.191 50.283 1.00 0.00 H Missing atom added: ATOM 30 H1' G A 64 59.352 19.975 47.030 1.00 0.00 H Missing atom added: ATOM 28 H2' G A 64 61.600 21.249 48.140 1.00 0.00 H Missing atom added: ATOM 29 HO'2 G A 64 62.428 18.968 47.351 1.00 0.00 H Missing atom added: ATOM 31 H8 G A 64 58.642 20.613 50.613 1.00 0.00 H Missing atom added: ATOM 34 H1 G A 64 56.922 25.717 46.357 1.00 0.00 H Missing atom added: ATOM 32 H21 G A 64 58.977 23.491 44.351 1.00 0.00 H Missing atom added: ATOM 33 H22 G A 64 58.423 25.038 44.668 1.00 0.00 H Missing atom added: ATOM 23 H5'1 A A 65 64.340 20.022 47.556 1.00 0.00 H Missing atom added: ATOM 24 H5'2 A A 65 66.027 20.271 48.283 1.00 0.00 H Missing atom added: ATOM 25 H4' A A 65 65.514 21.282 46.151 1.00 0.00 H Missing atom added: ATOM 26 H3' A A 65 65.283 23.272 48.529 1.00 0.00 H Missing atom added: ATOM 29 H1' A A 65 63.102 23.648 45.433 1.00 0.00 H Missing atom added: ATOM 27 H2' A A 65 65.007 25.057 46.930 1.00 0.00 H Missing atom added: ATOM 28 HO'2 A A 65 66.345 23.554 45.352 1.00 0.00 H Missing atom added: ATOM 30 H8 A A 65 62.589 22.652 48.961 1.00 0.00 H Missing atom added: ATOM 31 H61 A A 65 59.409 26.167 50.161 1.00 0.00 H Missing atom added: ATOM 32 H62 A A 65 58.820 27.528 49.314 1.00 0.00 H Missing atom added: ATOM 33 H2 A A 65 60.851 27.910 45.031 1.00 0.00 H Missing atom added: ATOM 24 H5'1 G A 66 67.834 25.277 46.077 1.00 0.00 H Missing atom added: ATOM 25 H5'2 G A 66 69.417 25.798 46.887 1.00 0.00 H Missing atom added: ATOM 26 H4' G A 66 68.285 27.399 45.502 1.00 0.00 H Missing atom added: ATOM 27 H3' G A 66 67.883 27.869 48.524 1.00 0.00 H Missing atom added: ATOM 30 H1' G A 66 65.162 28.811 46.034 1.00 0.00 H Missing atom added: ATOM 28 H2' G A 66 66.805 29.959 47.986 1.00 0.00 H Missing atom added: ATOM 29 HO'2 G A 66 68.219 29.875 45.853 1.00 0.00 H Missing atom added: ATOM 31 H8 G A 66 65.804 26.402 48.832 1.00 0.00 H Missing atom added: ATOM 34 H1 G A 66 60.136 30.222 49.479 1.00 0.00 H Missing atom added: ATOM 32 H21 G A 66 61.944 31.709 46.699 1.00 0.00 H Missing atom added: ATOM 33 H22 G A 66 60.886 31.886 47.982 1.00 0.00 H Missing atom added: ATOM 21 H5'1 U A 67 69.097 31.439 47.340 1.00 0.00 H Missing atom added: ATOM 22 H5'2 U A 67 70.545 32.127 48.269 1.00 0.00 H Missing atom added: ATOM 23 H4' U A 67 68.737 33.618 47.895 1.00 0.00 H Missing atom added: ATOM 24 H3' U A 67 68.839 32.494 50.776 1.00 0.00 H Missing atom added: ATOM 27 H1' U A 67 65.534 33.451 49.134 1.00 0.00 H Missing atom added: ATOM 25 H2' U A 67 67.110 34.068 51.367 1.00 0.00 H Missing atom added: ATOM 26 HO'2 U A 67 68.043 35.474 49.452 1.00 0.00 H Missing atom added: ATOM 29 H6 U A 67 67.315 30.525 49.939 1.00 0.00 H Missing atom added: ATOM 30 H3 U A 67 62.880 31.421 52.507 1.00 0.00 H Missing atom added: ATOM 28 H5 U A 67 66.392 28.705 51.331 1.00 0.00 H Missing atom added: ATOM 23 H5'1 A A 68 68.589 36.315 51.416 1.00 0.00 H Missing atom added: ATOM 24 H5'2 A A 68 69.906 37.037 52.503 1.00 0.00 H Missing atom added: ATOM 25 H4' A A 68 67.697 37.719 52.989 1.00 0.00 H Missing atom added: ATOM 26 H3' A A 68 68.848 35.619 54.946 1.00 0.00 H Missing atom added: ATOM 29 H1' A A 68 65.114 35.794 54.228 1.00 0.00 H Missing atom added: ATOM 27 H2' A A 68 66.923 35.977 56.352 1.00 0.00 H Missing atom added: ATOM 28 HO'2 A A 68 66.864 38.302 55.286 1.00 0.00 H Missing atom added: ATOM 30 H8 A A 68 67.973 33.494 53.547 1.00 0.00 H Missing atom added: ATOM 31 H61 A A 68 66.067 29.504 55.633 1.00 0.00 H Missing atom added: ATOM 32 H62 A A 68 64.625 29.237 56.508 1.00 0.00 H Missing atom added: ATOM 33 H2 A A 68 62.163 33.267 57.055 1.00 0.00 H Missing atom added: ATOM 21 H5'1 U A 69 67.701 38.316 57.441 1.00 0.00 H Missing atom added: ATOM 22 H5'2 U A 69 69.012 38.999 58.558 1.00 0.00 H Missing atom added: ATOM 23 H4' U A 69 66.959 38.437 59.595 1.00 0.00 H Missing atom added: ATOM 24 H3' U A 69 69.247 36.344 59.943 1.00 0.00 H Missing atom added: ATOM 27 H1' U A 69 65.579 35.297 59.993 1.00 0.00 H Missing atom added: ATOM 25 H2' U A 69 67.886 35.228 61.612 1.00 0.00 H Missing atom added: ATOM 26 HO'2 U A 69 66.855 37.530 62.010 1.00 0.00 H Missing atom added: ATOM 29 H6 U A 69 68.531 35.092 58.041 1.00 0.00 H Missing atom added: ATOM 30 H3 U A 69 66.218 30.686 59.556 1.00 0.00 H Missing atom added: ATOM 28 H5 U A 69 69.351 32.965 57.091 1.00 0.00 H Missing atom added: ATOM 21 H5'1 RC3 A 70 68.508 37.200 63.795 1.00 0.00 H Missing atom added: ATOM 22 H5'2 RC3 A 70 69.967 37.879 64.714 1.00 0.00 H Missing atom added: ATOM 23 H4' RC3 A 70 68.686 36.258 65.868 1.00 0.00 H Missing atom added: ATOM 24 H3' RC3 A 70 71.360 35.162 64.850 1.00 0.00 H Missing atom added: ATOM 27 H1' RC3 A 70 68.266 32.932 65.133 1.00 0.00 H Missing atom added: ATOM 25 H2' RC3 A 70 70.921 33.159 66.058 1.00 0.00 H Missing atom added: ATOM 26 HO'2 RC3 A 70 69.517 34.614 67.582 1.00 0.00 H Missing atom added: ATOM 30 H6 RC3 A 70 70.123 34.537 62.626 1.00 0.00 H Missing atom added: ATOM 28 H41 RC3 A 70 71.533 31.061 59.762 1.00 0.00 H Missing atom added: ATOM 29 H42 RC3 A 70 71.104 29.661 60.648 1.00 0.00 H Missing atom added: ATOM 31 H5 RC3 A 70 71.235 33.582 60.354 1.00 0.00 H Missing atom added: ATOM 32 H3T RC3 A 70 71.003 35.048 67.178 1.00 0.00 H Missing atom added: ATOM 3 OP3 C A 1 25.887 10.108 4.293 1.00 68.35 O Number of atoms: 2256 Number of residues: 70 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: 2434 Number of angles built: 4353 Number of dihedrals built: 6627 Number of impropers built: 481 ----------------------------------------------------------------------------- End of molecule (chain) ----------------------------------------------------------------------------- ----------------------------------------------------------------------------- Building interresidual nonbonded pairs & H-bonds (it may take a while)... Number of electrostatic pairs: 2536853 Number of van der Waals pairs: 243543 Number of H-bonds built: 15 Number of spring restraints: 0 Number of positional restraints: 0 Number of base pairs built: 2 Number of molecules (chains) read: 1 ----------------------------------------------------------------------------- Performing minimization step: 1. Total energy = 46677277.4458 kcal/mol (46381966.4602 without restraints) Performing minimization step: 2. Total energy = 44259877.1809 kcal/mol (43984285.0288 without restraints) Performing minimization step: 3. Total energy = 42002737.5956 kcal/mol (41745280.6486 without restraints) Performing minimization step: 4. Total energy = 39893039.8931 kcal/mol (39652273.5793 without restraints) Performing minimization step: 5. Total energy = 37919087.0581 kcal/mol (37693692.7718 without restraints) Performing minimization step: 6. Total energy = 36070199.3530 kcal/mol (35858972.8503 without restraints) Performing minimization step: 7. Total energy = 34336621.4393 kcal/mol (34138462.4963 without restraints) Performing minimization step: 8. Total energy = 32709439.4064 kcal/mol (32523342.5569 without restraints) Performing minimization step: 9. Total energy = 31180506.2899 kcal/mol (31005552.4906 without restraints) Killed /home/ubuntu/rna-tools//opt/qrnas/ Save to TEST1_rank_1_refx.pdb Traceback (most recent call last): File "/home/ubuntu/miniconda3/bin/rna_refinement.py", line 7, in exec(compile(f.read(), __file__, 'exec')) File "/home/ubuntu/rna-tools/rna_tools/tools/rna_refinement/rna_refinement.py", line 181, in q.run(args.fn, output_file, steps=args.steps, interactive=args.interactive, verbose=args.verbose) File "/home/ubuntu/rna-tools/rna_tools/tools/rna_refinement/rna_refinement.py", line 156, in run copyfile(qrnas_outputfile, outputfile) File "/home/ubuntu/miniconda3/lib/python3.8/shutil.py", line 264, in copyfile with open(src, 'rb') as fsrc, open(dst, 'wb') as fdst: FileNotFoundError: [Errno 2] No such file or directory: '/home/ubuntu/rna-tools/rna_tools/tools/webserver-engine/media/jobs/97013d3d/tmp/TEST1_rank_1_refx/TEST1_rank_1_refx.pdb' DONE!