USER MOD reduce.3.24.130724 H: found=0, std=0, add=136, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 136 hydrogens (0 hets) HEADER RNA 05-AUG-96 1PBM TITLE STRUCTURE OF RIBONUCLEIC ACID, NMR, 1 STRUCTURE COMPND MOL_ID: 1; COMPND 2 MOLECULE: RNA (5'-R(*CP*GP*CP*GP*CP*G)-3'); COMPND 3 CHAIN: A, B; COMPND 4 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 SYNTHETIC: YES KEYWDS RIBONUCLEIC ACID, RNA DUPLEX EXPDTA SOLUTION NMR AUTHOR M.POPENDA,E.BIALA,J.MILECKI,R.W.ADAMIAK REVDAT 2 24-FEB-09 1PBM 1 VERSN REVDAT 1 07-JUL-97 1PBM 0 JRNL AUTH M.POPENDA,E.BIALA,J.MILECKI,R.W.ADAMIAK JRNL TITL SOLUTION STRUCTURE OF RNA DUPLEXES CONTAINING JRNL TITL 2 ALTERNATING CG BASE PAIRS: NMR STUDY OF R(CGCGCG)2 JRNL TITL 3 AND 2'-O-ME(CGCGCG)2 UNDER LOW SALT CONDITIONS. JRNL REF NUCLEIC ACIDS RES. V. 25 4589 1997 JRNL REFN ISSN 0305-1048 JRNL PMID 9358170 JRNL DOI 10.1093/NAR/25.22.4589 REMARK 1 REMARK 2 REMARK 2 RESOLUTION. NOT APPLICABLE. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : DISCOVER REMARK 3 AUTHORS : BIOSYM REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: NULL REMARK 4 REMARK 4 1PBM COMPLIES WITH FORMAT V. 3.15, 01-DEC-08 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY BNL. REMARK 210 REMARK 210 EXPERIMENTAL DETAILS REMARK 210 EXPERIMENT TYPE : NMR REMARK 210 TEMPERATURE (KELVIN) : 300 REMARK 210 PH : 6.5 REMARK 210 IONIC STRENGTH : NULL REMARK 210 PRESSURE : NULL REMARK 210 SAMPLE CONTENTS : NULL REMARK 210 REMARK 210 NMR EXPERIMENTS CONDUCTED : NULL REMARK 210 SPECTROMETER FIELD STRENGTH : 500 MHZ REMARK 210 SPECTROMETER MODEL : UNITY PLUS REMARK 210 SPECTROMETER MANUFACTURER : VARIAN REMARK 210 REMARK 210 STRUCTURE DETERMINATION. REMARK 210 SOFTWARE USED : FELIX, NMRCHITECT, DISCOVER REMARK 210 METHOD USED : IRMA, RMD REMARK 210 REMARK 210 CONFORMERS, NUMBER CALCULATED : 106 REMARK 210 CONFORMERS, NUMBER SUBMITTED : 1 REMARK 210 CONFORMERS, SELECTION CRITERIA : R 1/6 VALUE REMARK 210 REMARK 210 BEST REPRESENTATIVE CONFORMER IN THIS ENSEMBLE : NULL REMARK 210 REMARK 210 REMARK: NULL REMARK 215 REMARK 215 NMR STUDY REMARK 215 THE COORDINATES IN THIS ENTRY WERE GENERATED FROM SOLUTION REMARK 215 NMR DATA. PROTEIN DATA BANK CONVENTIONS REQUIRE THAT REMARK 215 CRYST1 AND SCALE RECORDS BE INCLUDED, BUT THE VALUES ON REMARK 215 THESE RECORDS ARE MEANINGLESS. REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: COVALENT BOND ANGLES REMARK 500 REMARK 500 THE STEREOCHEMICAL PARAMETERS OF THE FOLLOWING RESIDUES REMARK 500 HAVE VALUES WHICH DEVIATE FROM EXPECTED VALUES BY MORE REMARK 500 THAN 6*RMSD (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN REMARK 500 IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 STANDARD TABLE: REMARK 500 FORMAT: (10X,I3,1X,A3,1X,A1,I4,A1,3(1X,A4,2X),12X,F5.1) REMARK 500 REMARK 500 EXPECTED VALUES PROTEIN: ENGH AND HUBER, 1999 REMARK 500 EXPECTED VALUES NUCLEIC ACID: CLOWNEY ET AL 1996 REMARK 500 REMARK 500 M RES CSSEQI ATM1 ATM2 ATM3 REMARK 500 G A 2 C5 - C6 - N1 ANGL. DEV. = 3.5 DEGREES REMARK 500 G A 2 C8 - N9 - C4 ANGL. DEV. = 2.8 DEGREES REMARK 500 G A 2 N1 - C6 - O6 ANGL. DEV. = -3.6 DEGREES REMARK 500 G A 4 C5 - C6 - N1 ANGL. DEV. = 3.6 DEGREES REMARK 500 G A 4 C8 - N9 - C4 ANGL. DEV. = 2.4 DEGREES REMARK 500 G A 6 C5 - C6 - N1 ANGL. DEV. = 3.1 DEGREES REMARK 500 G A 6 C8 - N9 - C4 ANGL. DEV. = 2.8 DEGREES REMARK 500 G A 6 N1 - C6 - O6 ANGL. DEV. = -3.9 DEGREES REMARK 500 G B 8 C5 - C6 - N1 ANGL. DEV. = 3.6 DEGREES REMARK 500 G B 8 C8 - N9 - C4 ANGL. DEV. = 2.6 DEGREES REMARK 500 G B 8 N1 - C6 - O6 ANGL. DEV. = -3.8 DEGREES REMARK 500 C B 9 N3 - C4 - C5 ANGL. DEV. = 2.5 DEGREES REMARK 500 G B 10 C5 - C6 - N1 ANGL. DEV. = 3.5 DEGREES REMARK 500 G B 10 C8 - N9 - C4 ANGL. DEV. = 2.5 DEGREES REMARK 500 G B 10 N1 - C6 - O6 ANGL. DEV. = -3.6 DEGREES REMARK 500 G B 12 C5 - C6 - N1 ANGL. DEV. = 3.2 DEGREES REMARK 500 G B 12 C8 - N9 - C4 ANGL. DEV. = 2.7 DEGREES REMARK 500 G B 12 N1 - C6 - O6 ANGL. DEV. = -3.9 DEGREES REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: PLANAR GROUPS REMARK 500 REMARK 500 PLANAR GROUPS IN THE FOLLOWING RESIDUES HAVE A TOTAL REMARK 500 RMS DISTANCE OF ALL ATOMS FROM THE BEST-FIT PLANE REMARK 500 BY MORE THAN AN EXPECTED VALUE OF 6*RMSD, WITH AN REMARK 500 RMSD 0.02 ANGSTROMS, OR AT LEAST ONE ATOM HAS REMARK 500 AN RMSD GREATER THAN THIS VALUE REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 M RES CSSEQI RMS TYPE REMARK 500 C A 1 0.10 SIDE_CHAIN REMARK 500 G A 2 0.14 SIDE_CHAIN REMARK 500 C A 3 0.11 SIDE_CHAIN REMARK 500 G A 4 0.07 SIDE_CHAIN REMARK 500 C B 7 0.10 SIDE_CHAIN REMARK 500 G B 8 0.13 SIDE_CHAIN REMARK 500 C B 9 0.11 SIDE_CHAIN REMARK 500 G B 10 0.07 SIDE_CHAIN REMARK 500 REMARK 500 REMARK: NULL REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: 1PBL RELATED DB: PDB REMARK 900 1 STRUCTURE DBREF 1PBM A 1 6 PDB 1PBM 1PBM 1 6 DBREF 1PBM B 7 12 PDB 1PBM 1PBM 7 12 SEQRES 1 A 6 C G C G C G SEQRES 1 B 6 C G C G C G CRYST1 1.000 1.000 1.000 90.00 90.00 90.00 P 1 1 ORIGX1 1.000000 0.000000 0.000000 0.00000 ORIGX2 0.000000 1.000000 0.000000 0.00000 ORIGX3 0.000000 0.000000 1.000000 0.00000 SCALE1 1.000000 0.000000 0.000000 0.00000 SCALE2 0.000000 1.000000 0.000000 0.00000 SCALE3 0.000000 0.000000 1.000000 0.00000 USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 C O2' : rot 180:sc= -0.134 USER MOD Single : A 1 C O5' : rot 180:sc= 0 USER MOD Single : A 2 G O2' : rot 180:sc= -0.553 USER MOD Single : A 3 C O2' : rot 180:sc= -0.352 USER MOD Single : A 4 G O2' : rot 180:sc= -0.166 USER MOD Single : A 5 C O2' : rot 180:sc= -0.167 USER MOD Single : A 6 G O2' : rot -17:sc= 0.0987 USER MOD Single : A 6 G O3' : rot 180:sc= 0.147 USER MOD Single : B 7 C O2' : rot 180:sc= -0.171 USER MOD Single : B 7 C O5' : rot 180:sc= 0 USER MOD Single : B 8 G O2' : rot 180:sc= -0.46 USER MOD Single : B 9 C O2' : rot 180:sc= -0.395 USER MOD Single : B 10 G O2' : rot 180:sc= -0.323 USER MOD Single : B 11 C O2' : rot 180:sc= -0.186 USER MOD Single : B 12 G O2' : rot -15:sc= 0.0692 USER MOD Single : B 12 G O3' : rot 180:sc= 0.0796 USER MOD ----------------------------------------------------------------- ATOM 1 O5' C A 1 -3.904 -6.215 8.287 1.00 0.00 O ATOM 2 C5' C A 1 -5.185 -6.616 8.739 1.00 0.00 C ATOM 3 C4' C A 1 -5.986 -5.441 9.321 1.00 0.00 C ATOM 4 O4' C A 1 -5.418 -4.945 10.529 1.00 0.00 O ATOM 5 C3' C A 1 -6.074 -4.238 8.378 1.00 0.00 C ATOM 6 O3' C A 1 -6.926 -4.471 7.265 1.00 0.00 O ATOM 7 C2' C A 1 -6.564 -3.187 9.390 1.00 0.00 C ATOM 8 O2' C A 1 -7.952 -3.289 9.697 1.00 0.00 O ATOM 9 C1' C A 1 -5.727 -3.560 10.630 1.00 0.00 C ATOM 10 N1 C A 1 -4.475 -2.751 10.718 1.00 0.00 N ATOM 11 C2 C A 1 -4.532 -1.525 11.380 1.00 0.00 C ATOM 12 O2 C A 1 -5.607 -1.039 11.709 1.00 0.00 O ATOM 13 N3 C A 1 -3.410 -0.839 11.672 1.00 0.00 N ATOM 14 C4 C A 1 -2.275 -1.289 11.202 1.00 0.00 C ATOM 15 N4 C A 1 -1.223 -0.682 11.638 1.00 0.00 N ATOM 16 C5 C A 1 -2.142 -2.478 10.446 1.00 0.00 C ATOM 17 C6 C A 1 -3.270 -3.190 10.227 1.00 0.00 C ATOM 0 H5' C A 1 -5.075 -7.391 9.498 1.00 0.00 H new ATOM 0 H5'' C A 1 -5.739 -7.057 7.911 1.00 0.00 H new ATOM 0 H4' C A 1 -6.976 -5.865 9.489 1.00 0.00 H new ATOM 0 H3' C A 1 -5.159 -3.954 7.857 1.00 0.00 H new ATOM 0 H2' C A 1 -6.449 -2.168 9.020 1.00 0.00 H new ATOM 0 HO2' C A 1 -8.196 -2.595 10.345 1.00 0.00 H new ATOM 0 HO5' C A 1 -3.427 -6.991 7.926 1.00 0.00 H new ATOM 0 H1' C A 1 -6.296 -3.349 11.536 1.00 0.00 H new ATOM 0 H41 C A 1 -0.298 -0.972 11.320 1.00 0.00 H new ATOM 0 H42 C A 1 -1.316 0.088 12.300 1.00 0.00 H new ATOM 0 H5 C A 1 -1.185 -2.801 10.063 1.00 0.00 H new ATOM 0 H6 C A 1 -3.223 -4.110 9.663 1.00 0.00 H new ATOM 30 P G A 2 -6.827 -3.570 5.945 1.00 0.00 P ATOM 31 OP1 G A 2 -7.890 -3.992 5.010 1.00 0.00 O ATOM 32 OP2 G A 2 -5.416 -3.555 5.505 1.00 0.00 O ATOM 33 O5' G A 2 -7.189 -2.090 6.478 1.00 0.00 O ATOM 34 C5' G A 2 -8.517 -1.722 6.833 1.00 0.00 C ATOM 35 C4' G A 2 -8.559 -0.259 7.314 1.00 0.00 C ATOM 36 O4' G A 2 -7.780 -0.058 8.501 1.00 0.00 O ATOM 37 C3' G A 2 -8.006 0.720 6.285 1.00 0.00 C ATOM 38 O3' G A 2 -8.996 0.947 5.257 1.00 0.00 O ATOM 39 C2' G A 2 -7.627 1.925 7.185 1.00 0.00 C ATOM 40 O2' G A 2 -8.728 2.801 7.404 1.00 0.00 O ATOM 41 C1' G A 2 -7.207 1.257 8.508 1.00 0.00 C ATOM 42 N9 G A 2 -5.767 1.175 8.662 1.00 0.00 N ATOM 43 C8 G A 2 -4.982 0.123 8.286 1.00 0.00 C ATOM 44 N7 G A 2 -3.752 0.276 8.687 1.00 0.00 N ATOM 45 C5 G A 2 -3.756 1.542 9.324 1.00 0.00 C ATOM 46 C6 G A 2 -2.752 2.298 10.016 1.00 0.00 C ATOM 47 O6 G A 2 -1.649 1.938 10.390 1.00 0.00 O ATOM 48 N1 G A 2 -3.095 3.596 10.297 1.00 0.00 N ATOM 49 C2 G A 2 -4.314 4.092 10.066 1.00 0.00 C ATOM 50 N2 G A 2 -4.463 5.340 10.368 1.00 0.00 N ATOM 51 N3 G A 2 -5.332 3.424 9.538 1.00 0.00 N ATOM 52 C4 G A 2 -4.981 2.150 9.203 1.00 0.00 C ATOM 0 H5' G A 2 -8.886 -2.381 7.619 1.00 0.00 H new ATOM 0 H5'' G A 2 -9.178 -1.849 5.975 1.00 0.00 H new ATOM 0 H4' G A 2 -9.617 -0.070 7.495 1.00 0.00 H new ATOM 0 H3' G A 2 -7.142 0.406 5.700 1.00 0.00 H new ATOM 0 H2' G A 2 -6.852 2.545 6.735 1.00 0.00 H new ATOM 0 HO2' G A 2 -8.446 3.545 7.976 1.00 0.00 H new ATOM 0 H1' G A 2 -7.562 1.855 9.347 1.00 0.00 H new ATOM 0 H8 G A 2 -5.337 -0.730 7.726 1.00 0.00 H new ATOM 0 H1 G A 2 -2.388 4.210 10.700 1.00 0.00 H new ATOM 0 H21 G A 2 -5.364 5.796 10.222 1.00 0.00 H new ATOM 0 H22 G A 2 -3.680 5.869 10.752 1.00 0.00 H new ATOM 64 P C A 3 -8.406 1.639 3.917 1.00 0.00 P ATOM 65 OP1 C A 3 -9.535 1.935 3.011 1.00 0.00 O ATOM 66 OP2 C A 3 -7.275 0.818 3.439 1.00 0.00 O ATOM 67 O5' C A 3 -7.794 3.048 4.409 1.00 0.00 O ATOM 68 C5' C A 3 -8.609 4.174 4.702 1.00 0.00 C ATOM 69 C4' C A 3 -7.729 5.337 5.197 1.00 0.00 C ATOM 70 O4' C A 3 -6.958 5.009 6.368 1.00 0.00 O ATOM 71 C3' C A 3 -6.709 5.787 4.158 1.00 0.00 C ATOM 72 O3' C A 3 -7.372 6.523 3.108 1.00 0.00 O ATOM 73 C2' C A 3 -5.731 6.573 5.061 1.00 0.00 C ATOM 74 O2' C A 3 -6.222 7.883 5.343 1.00 0.00 O ATOM 75 C1' C A 3 -5.691 5.702 6.337 1.00 0.00 C ATOM 76 N1 C A 3 -4.561 4.768 6.354 1.00 0.00 N ATOM 77 C2 C A 3 -3.373 5.190 6.949 1.00 0.00 C ATOM 78 O2 C A 3 -3.210 6.363 7.263 1.00 0.00 O ATOM 79 N3 C A 3 -2.375 4.313 7.164 1.00 0.00 N ATOM 80 C4 C A 3 -2.533 3.085 6.720 1.00 0.00 C ATOM 81 N4 C A 3 -1.619 2.241 7.074 1.00 0.00 N ATOM 82 C5 C A 3 -3.660 2.642 5.964 1.00 0.00 C ATOM 83 C6 C A 3 -4.665 3.525 5.784 1.00 0.00 C ATOM 0 H5' C A 3 -9.346 3.914 5.462 1.00 0.00 H new ATOM 0 H5'' C A 3 -9.162 4.476 3.812 1.00 0.00 H new ATOM 0 H4' C A 3 -8.453 6.123 5.414 1.00 0.00 H new ATOM 0 H3' C A 3 -6.184 5.021 3.588 1.00 0.00 H new ATOM 0 H2' C A 3 -4.752 6.732 4.609 1.00 0.00 H new ATOM 0 HO2' C A 3 -5.583 8.355 5.917 1.00 0.00 H new ATOM 0 H1' C A 3 -5.543 6.320 7.223 1.00 0.00 H new ATOM 0 H41 C A 3 -1.675 1.270 6.767 1.00 0.00 H new ATOM 0 H42 C A 3 -0.842 2.547 7.660 1.00 0.00 H new ATOM 0 H5 C A 3 -3.707 1.644 5.554 1.00 0.00 H new ATOM 0 H6 C A 3 -5.535 3.258 5.202 1.00 0.00 H new ATOM 95 P G A 4 -6.479 6.680 1.761 1.00 0.00 P ATOM 96 OP1 G A 4 -7.227 7.521 0.805 1.00 0.00 O ATOM 97 OP2 G A 4 -6.027 5.332 1.359 1.00 0.00 O ATOM 98 O5' G A 4 -5.173 7.504 2.224 1.00 0.00 O ATOM 99 C5' G A 4 -5.212 8.896 2.515 1.00 0.00 C ATOM 100 C4' G A 4 -3.807 9.382 2.911 1.00 0.00 C ATOM 101 O4' G A 4 -3.316 8.728 4.089 1.00 0.00 O ATOM 102 C3' G A 4 -2.761 9.112 1.832 1.00 0.00 C ATOM 103 O3' G A 4 -2.887 10.080 0.766 1.00 0.00 O ATOM 104 C2' G A 4 -1.469 9.198 2.671 1.00 0.00 C ATOM 105 O2' G A 4 -1.086 10.558 2.857 1.00 0.00 O ATOM 106 C1' G A 4 -1.889 8.564 4.014 1.00 0.00 C ATOM 107 N9 G A 4 -1.567 7.148 4.099 1.00 0.00 N ATOM 108 C8 G A 4 -2.350 6.125 3.648 1.00 0.00 C ATOM 109 N7 G A 4 -1.861 4.961 3.957 1.00 0.00 N ATOM 110 C5 G A 4 -0.639 5.270 4.602 1.00 0.00 C ATOM 111 C6 G A 4 0.399 4.461 5.173 1.00 0.00 C ATOM 112 O6 G A 4 0.434 3.249 5.301 1.00 0.00 O ATOM 113 N1 G A 4 1.505 5.150 5.599 1.00 0.00 N ATOM 114 C2 G A 4 1.608 6.477 5.526 1.00 0.00 C ATOM 115 N2 G A 4 2.734 6.963 5.928 1.00 0.00 N ATOM 116 N3 G A 4 0.679 7.297 5.060 1.00 0.00 N ATOM 117 C4 G A 4 -0.423 6.627 4.628 1.00 0.00 C ATOM 0 H5' G A 4 -5.916 9.089 3.325 1.00 0.00 H new ATOM 0 H5'' G A 4 -5.567 9.449 1.646 1.00 0.00 H new ATOM 0 H4' G A 4 -3.936 10.452 3.072 1.00 0.00 H new ATOM 0 H3' G A 4 -2.829 8.166 1.294 1.00 0.00 H new ATOM 0 H2' G A 4 -0.616 8.703 2.207 1.00 0.00 H new ATOM 0 HO2' G A 4 -0.266 10.597 3.392 1.00 0.00 H new ATOM 0 H1' G A 4 -1.353 9.047 4.831 1.00 0.00 H new ATOM 0 H8 G A 4 -3.269 6.266 3.098 1.00 0.00 H new ATOM 0 H1 G A 4 2.286 4.623 5.990 1.00 0.00 H new ATOM 0 H21 G A 4 2.892 7.970 5.904 1.00 0.00 H new ATOM 0 H22 G A 4 3.466 6.340 6.270 1.00 0.00 H new ATOM 129 P C A 5 -2.212 9.597 -0.636 1.00 0.00 P ATOM 130 OP1 C A 5 -2.267 10.724 -1.588 1.00 0.00 O ATOM 131 OP2 C A 5 -2.804 8.291 -0.992 1.00 0.00 O ATOM 132 O5' C A 5 -0.669 9.348 -0.242 1.00 0.00 O ATOM 133 C5' C A 5 0.256 10.410 -0.052 1.00 0.00 C ATOM 134 C4' C A 5 1.618 9.859 0.407 1.00 0.00 C ATOM 135 O4' C A 5 1.530 9.092 1.620 1.00 0.00 O ATOM 136 C3' C A 5 2.286 8.933 -0.601 1.00 0.00 C ATOM 137 O3' C A 5 2.809 9.695 -1.709 1.00 0.00 O ATOM 138 C2' C A 5 3.321 8.251 0.325 1.00 0.00 C ATOM 139 O2' C A 5 4.453 9.091 0.548 1.00 0.00 O ATOM 140 C1' C A 5 2.514 8.043 1.625 1.00 0.00 C ATOM 141 N1 C A 5 1.893 6.716 1.687 1.00 0.00 N ATOM 142 C2 C A 5 2.625 5.677 2.264 1.00 0.00 C ATOM 143 O2 C A 5 3.784 5.840 2.623 1.00 0.00 O ATOM 144 N3 C A 5 2.072 4.458 2.397 1.00 0.00 N ATOM 145 C4 C A 5 0.860 4.270 1.919 1.00 0.00 C ATOM 146 N4 C A 5 0.345 3.106 2.141 1.00 0.00 N ATOM 147 C5 C A 5 0.099 5.272 1.246 1.00 0.00 C ATOM 148 C6 C A 5 0.653 6.498 1.141 1.00 0.00 C ATOM 0 H5' C A 5 -0.130 11.108 0.691 1.00 0.00 H new ATOM 0 H5'' C A 5 0.376 10.967 -0.981 1.00 0.00 H new ATOM 0 H4' C A 5 2.206 10.767 0.542 1.00 0.00 H new ATOM 0 H3' C A 5 1.663 8.203 -1.118 1.00 0.00 H new ATOM 0 H2' C A 5 3.732 7.329 -0.087 1.00 0.00 H new ATOM 0 HO2' C A 5 5.089 8.634 1.137 1.00 0.00 H new ATOM 0 H1' C A 5 3.155 8.088 2.505 1.00 0.00 H new ATOM 0 H41 C A 5 -0.591 2.889 1.800 1.00 0.00 H new ATOM 0 H42 C A 5 0.875 2.404 2.657 1.00 0.00 H new ATOM 0 H5 C A 5 -0.878 5.058 0.838 1.00 0.00 H new ATOM 0 H6 C A 5 0.129 7.295 0.635 1.00 0.00 H new ATOM 160 P G A 6 3.182 8.783 -3.006 1.00 0.00 P ATOM 161 OP1 G A 6 3.873 9.645 -3.986 1.00 0.00 O ATOM 162 OP2 G A 6 1.953 8.059 -3.396 1.00 0.00 O ATOM 163 O5' G A 6 4.233 7.691 -2.459 1.00 0.00 O ATOM 164 C5' G A 6 5.602 8.007 -2.233 1.00 0.00 C ATOM 165 C4' G A 6 6.340 6.793 -1.651 1.00 0.00 C ATOM 166 O4' G A 6 5.720 6.308 -0.451 1.00 0.00 O ATOM 167 C3' G A 6 6.400 5.591 -2.584 1.00 0.00 C ATOM 168 O3' G A 6 7.403 5.737 -3.571 1.00 0.00 O ATOM 169 C2' G A 6 6.700 4.450 -1.597 1.00 0.00 C ATOM 170 O2' G A 6 8.100 4.378 -1.313 1.00 0.00 O ATOM 171 C1' G A 6 5.884 4.887 -0.358 1.00 0.00 C ATOM 172 N9 G A 6 4.593 4.230 -0.337 1.00 0.00 N ATOM 173 C8 G A 6 3.430 4.674 -0.896 1.00 0.00 C ATOM 174 N7 G A 6 2.466 3.807 -0.758 1.00 0.00 N ATOM 175 C5 G A 6 3.078 2.716 -0.090 1.00 0.00 C ATOM 176 C6 G A 6 2.611 1.430 0.351 1.00 0.00 C ATOM 177 O6 G A 6 1.485 0.955 0.301 1.00 0.00 O ATOM 178 N1 G A 6 3.582 0.622 0.886 1.00 0.00 N ATOM 179 C2 G A 6 4.851 1.001 1.046 1.00 0.00 C ATOM 180 N2 G A 6 5.626 0.131 1.600 1.00 0.00 N ATOM 181 N3 G A 6 5.353 2.170 0.689 1.00 0.00 N ATOM 182 C4 G A 6 4.406 2.975 0.142 1.00 0.00 C ATOM 0 H5' G A 6 5.679 8.851 -1.548 1.00 0.00 H new ATOM 0 H5'' G A 6 6.071 8.312 -3.168 1.00 0.00 H new ATOM 0 H4' G A 6 7.343 7.180 -1.472 1.00 0.00 H new ATOM 0 H3' G A 6 5.493 5.433 -3.168 1.00 0.00 H new ATOM 0 H2' G A 6 6.439 3.457 -1.962 1.00 0.00 H new ATOM 0 HO2' G A 6 8.598 4.877 -1.994 1.00 0.00 H new ATOM 0 HO3' G A 6 7.411 4.945 -4.149 1.00 0.00 H new ATOM 0 H1' G A 6 6.400 4.611 0.562 1.00 0.00 H new ATOM 0 H8 G A 6 3.321 5.627 -1.392 1.00 0.00 H new ATOM 0 H1 G A 6 3.319 -0.320 1.177 1.00 0.00 H new ATOM 0 H21 G A 6 6.610 0.350 1.755 1.00 0.00 H new ATOM 0 H22 G A 6 5.255 -0.776 1.883 1.00 0.00 H new TER 195 G A 6 ATOM 196 O5' C B 7 1.464 -6.940 5.596 1.00 0.00 O ATOM 197 C5' C B 7 2.615 -7.711 5.315 1.00 0.00 C ATOM 198 C4' C B 7 3.756 -6.863 4.731 1.00 0.00 C ATOM 199 O4' C B 7 3.394 -6.214 3.514 1.00 0.00 O ATOM 200 C3' C B 7 4.250 -5.752 5.663 1.00 0.00 C ATOM 201 O3' C B 7 4.998 -6.249 6.762 1.00 0.00 O ATOM 202 C2' C B 7 5.063 -4.939 4.638 1.00 0.00 C ATOM 203 O2' C B 7 6.336 -5.510 4.330 1.00 0.00 O ATOM 204 C1' C B 7 4.142 -5.004 3.405 1.00 0.00 C ATOM 205 N1 C B 7 3.226 -3.824 3.328 1.00 0.00 N ATOM 206 C2 C B 7 3.638 -2.707 2.597 1.00 0.00 C ATOM 207 O2 C B 7 4.784 -2.611 2.178 1.00 0.00 O ATOM 208 N3 C B 7 2.785 -1.699 2.329 1.00 0.00 N ATOM 209 C4 C B 7 1.598 -1.734 2.876 1.00 0.00 C ATOM 210 N4 C B 7 0.778 -0.829 2.458 1.00 0.00 N ATOM 211 C5 C B 7 1.133 -2.784 3.702 1.00 0.00 C ATOM 212 C6 C B 7 1.980 -3.816 3.905 1.00 0.00 C ATOM 0 H5' C B 7 2.357 -8.503 4.612 1.00 0.00 H new ATOM 0 H5'' C B 7 2.957 -8.196 6.229 1.00 0.00 H new ATOM 0 H4' C B 7 4.545 -7.599 4.573 1.00 0.00 H new ATOM 0 H3' C B 7 3.484 -5.179 6.185 1.00 0.00 H new ATOM 0 H2' C B 7 5.305 -3.940 4.999 1.00 0.00 H new ATOM 0 HO2' C B 7 6.797 -4.946 3.674 1.00 0.00 H new ATOM 0 HO5' C B 7 0.764 -7.519 5.964 1.00 0.00 H new ATOM 0 H1' C B 7 4.738 -4.985 2.492 1.00 0.00 H new ATOM 0 H41 C B 7 -0.169 -0.786 2.834 1.00 0.00 H new ATOM 0 H42 C B 7 1.077 -0.157 1.752 1.00 0.00 H new ATOM 0 H5 C B 7 0.150 -2.761 4.148 1.00 0.00 H new ATOM 0 H6 C B 7 1.674 -4.644 4.528 1.00 0.00 H new ATOM 225 P G B 8 5.215 -5.359 8.081 1.00 0.00 P ATOM 226 OP1 G B 8 6.100 -6.103 9.000 1.00 0.00 O ATOM 227 OP2 G B 8 3.891 -4.893 8.540 1.00 0.00 O ATOM 228 O5' G B 8 6.027 -4.073 7.538 1.00 0.00 O ATOM 229 C5' G B 8 7.397 -4.155 7.164 1.00 0.00 C ATOM 230 C4' G B 8 7.931 -2.787 6.701 1.00 0.00 C ATOM 231 O4' G B 8 7.302 -2.321 5.497 1.00 0.00 O ATOM 232 C3' G B 8 7.751 -1.672 7.727 1.00 0.00 C ATOM 233 O3' G B 8 8.768 -1.799 8.745 1.00 0.00 O ATOM 234 C2' G B 8 7.849 -0.426 6.811 1.00 0.00 C ATOM 235 O2' G B 8 9.211 -0.080 6.562 1.00 0.00 O ATOM 236 C1' G B 8 7.173 -0.890 5.507 1.00 0.00 C ATOM 237 N9 G B 8 5.773 -0.516 5.392 1.00 0.00 N ATOM 238 C8 G B 8 4.707 -1.283 5.766 1.00 0.00 C ATOM 239 N7 G B 8 3.578 -0.769 5.367 1.00 0.00 N ATOM 240 C5 G B 8 3.960 0.439 4.733 1.00 0.00 C ATOM 241 C6 G B 8 3.225 1.465 4.050 1.00 0.00 C ATOM 242 O6 G B 8 2.058 1.462 3.698 1.00 0.00 O ATOM 243 N1 G B 8 3.944 2.595 3.749 1.00 0.00 N ATOM 244 C2 G B 8 5.257 2.697 3.968 1.00 0.00 C ATOM 245 N2 G B 8 5.779 3.839 3.664 1.00 0.00 N ATOM 246 N3 G B 8 6.028 1.752 4.488 1.00 0.00 N ATOM 247 C4 G B 8 5.313 0.647 4.844 1.00 0.00 C ATOM 0 H5' G B 8 7.515 -4.884 6.363 1.00 0.00 H new ATOM 0 H5'' G B 8 7.987 -4.511 8.009 1.00 0.00 H new ATOM 0 H4' G B 8 8.992 -2.983 6.543 1.00 0.00 H new ATOM 0 H3' G B 8 6.829 -1.657 8.309 1.00 0.00 H new ATOM 0 H2' G B 8 7.386 0.457 7.251 1.00 0.00 H new ATOM 0 HO2' G B 8 9.247 0.708 5.981 1.00 0.00 H new ATOM 0 H1' G B 8 7.657 -0.403 4.660 1.00 0.00 H new ATOM 0 H8 G B 8 4.790 -2.204 6.325 1.00 0.00 H new ATOM 0 H1 G B 8 3.454 3.391 3.340 1.00 0.00 H new ATOM 0 H21 G B 8 6.777 3.996 3.802 1.00 0.00 H new ATOM 0 H22 G B 8 5.193 4.583 3.286 1.00 0.00 H new ATOM 259 P C B 9 8.464 -0.946 10.094 1.00 0.00 P ATOM 260 OP1 C B 9 9.656 -1.021 10.965 1.00 0.00 O ATOM 261 OP2 C B 9 7.149 -1.378 10.611 1.00 0.00 O ATOM 262 O5' C B 9 8.304 0.584 9.614 1.00 0.00 O ATOM 263 C5' C B 9 9.415 1.413 9.290 1.00 0.00 C ATOM 264 C4' C B 9 8.914 2.787 8.809 1.00 0.00 C ATOM 265 O4' C B 9 8.050 2.683 7.670 1.00 0.00 O ATOM 266 C3' C B 9 8.088 3.518 9.857 1.00 0.00 C ATOM 267 O3' C B 9 8.943 4.012 10.911 1.00 0.00 O ATOM 268 C2' C B 9 7.372 4.561 8.965 1.00 0.00 C ATOM 269 O2' C B 9 8.214 5.674 8.671 1.00 0.00 O ATOM 270 C1' C B 9 7.076 3.735 7.692 1.00 0.00 C ATOM 271 N1 C B 9 5.714 3.200 7.684 1.00 0.00 N ATOM 272 C2 C B 9 4.709 3.984 7.124 1.00 0.00 C ATOM 273 O2 C B 9 4.917 5.160 6.846 1.00 0.00 O ATOM 274 N3 C B 9 3.484 3.467 6.920 1.00 0.00 N ATOM 275 C4 C B 9 3.259 2.242 7.349 1.00 0.00 C ATOM 276 N4 C B 9 2.121 1.730 7.013 1.00 0.00 N ATOM 277 C5 C B 9 4.203 1.457 8.076 1.00 0.00 C ATOM 278 C6 C B 9 5.438 1.975 8.236 1.00 0.00 C ATOM 0 H5' C B 9 10.018 0.943 8.513 1.00 0.00 H new ATOM 0 H5'' C B 9 10.057 1.534 10.162 1.00 0.00 H new ATOM 0 H4' C B 9 9.831 3.329 8.578 1.00 0.00 H new ATOM 0 H3' C B 9 7.364 2.942 10.433 1.00 0.00 H new ATOM 0 H2' C B 9 6.489 4.999 9.430 1.00 0.00 H new ATOM 0 HO2' C B 9 7.729 6.311 8.105 1.00 0.00 H new ATOM 0 H1' C B 9 7.143 4.361 6.802 1.00 0.00 H new ATOM 0 H41 C B 9 1.879 0.785 7.310 1.00 0.00 H new ATOM 0 H42 C B 9 1.465 2.271 6.450 1.00 0.00 H new ATOM 0 H5 C B 9 3.940 0.491 8.480 1.00 0.00 H new ATOM 0 H6 C B 9 6.194 1.436 8.788 1.00 0.00 H new ATOM 290 P G B 10 8.139 4.418 12.257 1.00 0.00 P ATOM 291 OP1 G B 10 9.097 5.011 13.212 1.00 0.00 O ATOM 292 OP2 G B 10 7.315 3.260 12.661 1.00 0.00 O ATOM 293 O5' G B 10 7.127 5.584 11.787 1.00 0.00 O ATOM 294 C5' G B 10 7.570 6.906 11.509 1.00 0.00 C ATOM 295 C4' G B 10 6.366 7.787 11.136 1.00 0.00 C ATOM 296 O4' G B 10 5.694 7.339 9.946 1.00 0.00 O ATOM 297 C3' G B 10 5.296 7.816 12.226 1.00 0.00 C ATOM 298 O3' G B 10 5.721 8.680 13.301 1.00 0.00 O ATOM 299 C2' G B 10 4.072 8.284 11.407 1.00 0.00 C ATOM 300 O2' G B 10 4.070 9.702 11.250 1.00 0.00 O ATOM 301 C1' G B 10 4.275 7.576 10.051 1.00 0.00 C ATOM 302 N9 G B 10 3.553 6.317 9.962 1.00 0.00 N ATOM 303 C8 G B 10 3.997 5.104 10.401 1.00 0.00 C ATOM 304 N7 G B 10 3.169 4.146 10.108 1.00 0.00 N ATOM 305 C5 G B 10 2.085 4.812 9.483 1.00 0.00 C ATOM 306 C6 G B 10 0.839 4.360 8.931 1.00 0.00 C ATOM 307 O6 G B 10 0.429 3.219 8.807 1.00 0.00 O ATOM 308 N1 G B 10 -0.006 5.357 8.516 1.00 0.00 N ATOM 309 C2 G B 10 0.306 6.652 8.582 1.00 0.00 C ATOM 310 N2 G B 10 -0.618 7.460 8.185 1.00 0.00 N ATOM 311 N3 G B 10 1.450 7.146 9.031 1.00 0.00 N ATOM 312 C4 G B 10 2.296 6.169 9.453 1.00 0.00 C ATOM 0 H5' G B 10 8.291 6.894 10.692 1.00 0.00 H new ATOM 0 H5'' G B 10 8.080 7.320 12.379 1.00 0.00 H new ATOM 0 H4' G B 10 6.805 8.774 10.989 1.00 0.00 H new ATOM 0 H3' G B 10 5.082 6.885 12.752 1.00 0.00 H new ATOM 0 H2' G B 10 3.120 8.044 11.881 1.00 0.00 H new ATOM 0 HO2' G B 10 3.286 9.972 10.727 1.00 0.00 H new ATOM 0 H1' G B 10 3.889 8.196 9.242 1.00 0.00 H new ATOM 0 H8 G B 10 4.927 4.957 10.930 1.00 0.00 H new ATOM 0 H1 G B 10 -0.917 5.096 8.139 1.00 0.00 H new ATOM 0 H21 G B 10 -0.458 8.467 8.204 1.00 0.00 H new ATOM 0 H22 G B 10 -1.509 7.092 7.852 1.00 0.00 H new ATOM 324 P C B 11 4.911 8.437 14.693 1.00 0.00 P ATOM 325 OP1 C B 11 5.296 9.501 15.642 1.00 0.00 O ATOM 326 OP2 C B 11 5.091 7.017 15.061 1.00 0.00 O ATOM 327 O5' C B 11 3.359 8.643 14.311 1.00 0.00 O ATOM 328 C5' C B 11 2.782 9.929 14.126 1.00 0.00 C ATOM 329 C4' C B 11 1.316 9.803 13.672 1.00 0.00 C ATOM 330 O4' C B 11 1.174 9.046 12.456 1.00 0.00 O ATOM 331 C3' C B 11 0.402 9.113 14.679 1.00 0.00 C ATOM 332 O3' C B 11 0.118 9.984 15.795 1.00 0.00 O ATOM 333 C2' C B 11 -0.785 8.777 13.749 1.00 0.00 C ATOM 334 O2' C B 11 -1.613 9.920 13.533 1.00 0.00 O ATOM 335 C1' C B 11 -0.079 8.340 12.449 1.00 0.00 C ATOM 336 N1 C B 11 0.111 6.888 12.387 1.00 0.00 N ATOM 337 C2 C B 11 -0.904 6.120 11.815 1.00 0.00 C ATOM 338 O2 C B 11 -1.957 6.629 11.454 1.00 0.00 O ATOM 339 N3 C B 11 -0.753 4.790 11.694 1.00 0.00 N ATOM 340 C4 C B 11 0.342 4.242 12.176 1.00 0.00 C ATOM 341 N4 C B 11 0.469 2.972 11.971 1.00 0.00 N ATOM 342 C5 C B 11 1.376 4.967 12.841 1.00 0.00 C ATOM 343 C6 C B 11 1.227 6.305 12.935 1.00 0.00 C ATOM 0 H5' C B 11 3.352 10.486 13.383 1.00 0.00 H new ATOM 0 H5'' C B 11 2.833 10.494 15.057 1.00 0.00 H new ATOM 0 H4' C B 11 1.021 10.844 13.544 1.00 0.00 H new ATOM 0 H3' C B 11 0.786 8.232 15.193 1.00 0.00 H new ATOM 0 H2' C B 11 -1.453 8.017 14.154 1.00 0.00 H new ATOM 0 HO2' C B 11 -2.355 9.679 12.940 1.00 0.00 H new ATOM 0 H1' C B 11 -0.674 8.577 11.567 1.00 0.00 H new ATOM 0 H41 C B 11 1.293 2.480 12.316 1.00 0.00 H new ATOM 0 H42 C B 11 -0.255 2.462 11.464 1.00 0.00 H new ATOM 0 H5 C B 11 2.241 4.466 13.251 1.00 0.00 H new ATOM 0 H6 C B 11 1.973 6.907 13.433 1.00 0.00 H new ATOM 355 P G B 12 -0.533 9.214 17.075 1.00 0.00 P ATOM 356 OP1 G B 12 -0.930 10.233 18.067 1.00 0.00 O ATOM 357 OP2 G B 12 0.407 8.141 17.462 1.00 0.00 O ATOM 358 O5' G B 12 -1.877 8.499 16.534 1.00 0.00 O ATOM 359 C5' G B 12 -3.075 9.224 16.274 1.00 0.00 C ATOM 360 C4' G B 12 -4.129 8.305 15.631 1.00 0.00 C ATOM 361 O4' G B 12 -3.619 7.674 14.448 1.00 0.00 O ATOM 362 C3' G B 12 -4.629 7.157 16.508 1.00 0.00 C ATOM 363 O3' G B 12 -5.596 7.572 17.466 1.00 0.00 O ATOM 364 C2' G B 12 -5.215 6.211 15.445 1.00 0.00 C ATOM 365 O2' G B 12 -6.525 6.610 15.055 1.00 0.00 O ATOM 366 C1' G B 12 -4.218 6.380 14.283 1.00 0.00 C ATOM 367 N9 G B 12 -3.205 5.343 14.327 1.00 0.00 N ATOM 368 C8 G B 12 -1.982 5.394 14.933 1.00 0.00 C ATOM 369 N7 G B 12 -1.348 4.258 14.841 1.00 0.00 N ATOM 370 C5 G B 12 -2.256 3.414 14.150 1.00 0.00 C ATOM 371 C6 G B 12 -2.217 2.040 13.725 1.00 0.00 C ATOM 372 O6 G B 12 -1.303 1.230 13.800 1.00 0.00 O ATOM 373 N1 G B 12 -3.385 1.579 13.169 1.00 0.00 N ATOM 374 C2 G B 12 -4.455 2.348 12.965 1.00 0.00 C ATOM 375 N2 G B 12 -5.463 1.779 12.401 1.00 0.00 N ATOM 376 N3 G B 12 -4.553 3.621 13.289 1.00 0.00 N ATOM 377 C4 G B 12 -3.418 4.086 13.865 1.00 0.00 C ATOM 0 H5' G B 12 -2.863 10.064 15.612 1.00 0.00 H new ATOM 0 H5'' G B 12 -3.464 9.641 17.203 1.00 0.00 H new ATOM 0 H4' G B 12 -4.954 8.991 15.438 1.00 0.00 H new ATOM 0 H3' G B 12 -3.856 6.706 17.131 1.00 0.00 H new ATOM 0 H2' G B 12 -5.325 5.183 15.790 1.00 0.00 H new ATOM 0 HO2' G B 12 -6.877 7.255 15.703 1.00 0.00 H new ATOM 0 HO3' G B 12 -5.882 6.800 17.997 1.00 0.00 H new ATOM 0 H1' G B 12 -4.720 6.298 13.319 1.00 0.00 H new ATOM 0 H8 G B 12 -1.588 6.269 15.428 1.00 0.00 H new ATOM 0 H1 G B 12 -3.437 0.597 12.898 1.00 0.00 H new ATOM 0 H21 G B 12 -6.313 2.313 12.217 1.00 0.00 H new ATOM 0 H22 G B 12 -5.412 0.795 12.138 1.00 0.00 H new TER 390 G B 12 END