USER MOD reduce.3.24.130724 H: found=0, std=0, add=240, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 240 hydrogens (56 hets) HEADER DNA 12-JUL-96 1RME TITLE DNA (5'-D(MCYP*CP*TP*CP*C)-3') TETRAMER, NMR, 1 STRUCTURE COMPND MOL_ID: 1; COMPND 2 MOLECULE: DNA (5'-D(*(MCY)P*CP*TP*CP*C)-3'); COMPND 3 CHAIN: A, B, C, D; COMPND 4 ENGINEERED: YES; COMPND 5 OTHER_DETAILS: TETRAMER FORMED BY FOUR 5MCCTCC STRANDS SOURCE MOL_ID: 1; SOURCE 2 SYNTHETIC: YES KEYWDS DEOXYRIBONUCLEIC ACID, I-MOTIF, TETRAMER, DNA EXPDTA SOLUTION NMR AUTHOR S.NONIN,J.-L.LEROY REVDAT 3 24-FEB-09 1RME 1 VERSN REVDAT 2 01-APR-03 1RME 1 JRNL REVDAT 1 11-JAN-97 1RME 0 JRNL AUTH S.NONIN,J.L.LEROY JRNL TITL STRUCTURE AND CONVERSION KINETICS OF A BI-STABLE JRNL TITL 2 DNA I-MOTIF: BROKEN SYMMETRY IN THE [D(5MCCTCC)]4 JRNL TITL 3 TETRAMER. JRNL REF J.MOL.BIOL. V. 261 399 1996 JRNL REFN ISSN 0022-2836 JRNL PMID 8780782 JRNL DOI 10.1006/JMBI.1996.0472 REMARK 1 REMARK 1 REFERENCE 1 REMARK 1 AUTH J.L.LEROY,M.GUERON REMARK 1 TITL SOLUTION STRUCTURES OF THE I-MOTIF TETRAMERS OF REMARK 1 TITL 2 D(TCC), D(5METHYLCCT) AND D(T5METHYLCC): NOVEL NOE REMARK 1 TITL 3 CONNECTIONS BETWEEN AMINO PROTONS AND SUGAR PROTONS REMARK 1 REF STRUCTURE V. 3 101 1995 REMARK 1 REFN ISSN 0969-2126 REMARK 2 REMARK 2 RESOLUTION. NOT APPLICABLE. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : X-PLOR 3.1 REMARK 3 AUTHORS : BRUNGER REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: NULL REMARK 4 REMARK 4 1RME 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) : NULL REMARK 210 PH : 4.6 REMARK 210 IONIC STRENGTH : NULL REMARK 210 PRESSURE : NULL REMARK 210 SAMPLE CONTENTS : NULL REMARK 210 REMARK 210 NMR EXPERIMENTS CONDUCTED : NOESY, TOCSY, 1H EXCHANGE REMARK 210 SPECTROMETER FIELD STRENGTH : 8.7 MHZ REMARK 210 SPECTROMETER MODEL : HOME-MADE SPECTROMETER REMARK 210 SPECTROMETER MANUFACTURER : NULL REMARK 210 REMARK 210 STRUCTURE DETERMINATION. REMARK 210 SOFTWARE USED : X-PLOR 3.1 REMARK 210 METHOD USED : SIMULATED ANNEALING REMARK 210 REMARK 210 CONFORMERS, NUMBER CALCULATED : 24 REMARK 210 CONFORMERS, NUMBER SUBMITTED : 1 REMARK 210 CONFORMERS, SELECTION CRITERIA : ENERGY RELATED TO NOE REMARK 210 VIOLATIONS 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 DC A 2 O4' - C1' - N1 ANGL. DEV. = 2.7 DEGREES REMARK 500 DT A 3 O4' - C1' - N1 ANGL. DEV. = 2.2 DEGREES REMARK 500 DC A 4 O4' - C1' - N1 ANGL. DEV. = 2.3 DEGREES REMARK 500 DC A 5 O4' - C1' - N1 ANGL. DEV. = 2.8 DEGREES REMARK 500 DC B 2 O4' - C1' - N1 ANGL. DEV. = 2.8 DEGREES REMARK 500 DT B 3 O4' - C1' - N1 ANGL. DEV. = 2.3 DEGREES REMARK 500 DC B 4 O4' - C1' - N1 ANGL. DEV. = 2.4 DEGREES REMARK 500 DC B 5 O4' - C1' - N1 ANGL. DEV. = 2.6 DEGREES REMARK 500 DC C 2 O4' - C1' - N1 ANGL. DEV. = 2.9 DEGREES REMARK 500 DC C 2 C2 - N3 - C4 ANGL. DEV. = 3.3 DEGREES REMARK 500 DC C 2 N1 - C2 - O2 ANGL. DEV. = 3.7 DEGREES REMARK 500 DT C 3 O4' - C1' - N1 ANGL. DEV. = 2.6 DEGREES REMARK 500 DC C 4 O4' - C1' - N1 ANGL. DEV. = 3.2 DEGREES REMARK 500 DC C 4 C2 - N3 - C4 ANGL. DEV. = 3.2 DEGREES REMARK 500 DC C 5 O4' - C1' - N1 ANGL. DEV. = 2.7 DEGREES REMARK 500 DC C 5 C2 - N3 - C4 ANGL. DEV. = 3.2 DEGREES REMARK 500 DC D 2 O4' - C1' - N1 ANGL. DEV. = 3.1 DEGREES REMARK 500 DC D 2 C2 - N3 - C4 ANGL. DEV. = 3.2 DEGREES REMARK 500 DT D 3 O4' - C1' - N1 ANGL. DEV. = 2.4 DEGREES REMARK 500 DC D 4 O4' - C1' - N1 ANGL. DEV. = 2.6 DEGREES REMARK 500 DC D 4 C2 - N3 - C4 ANGL. DEV. = 3.1 DEGREES REMARK 500 DC D 4 N1 - C2 - O2 ANGL. DEV. = 3.6 DEGREES REMARK 500 DC D 5 O4' - C1' - N1 ANGL. DEV. = 2.5 DEGREES REMARK 500 DC D 5 C2 - N3 - C4 ANGL. DEV. = 3.2 DEGREES REMARK 500 REMARK 500 REMARK: NULL DBREF 1RME A 1 5 PDB 1RME 1RME 1 5 DBREF 1RME B 1 5 PDB 1RME 1RME 1 5 DBREF 1RME C 1 5 PDB 1RME 1RME 1 5 DBREF 1RME D 1 5 PDB 1RME 1RME 1 5 SEQRES 1 A 5 MCY DC DT DC DC SEQRES 1 B 5 MCY DC DT DC DC SEQRES 1 C 5 MCY DC DT DC DC SEQRES 1 D 5 MCY DC DT DC DC MODRES 1RME MCY A 1 DC 5-METHYL-2'-DEOXYCYTIDINE MODRES 1RME MCY B 1 DC 5-METHYL-2'-DEOXYCYTIDINE MODRES 1RME MCY C 1 DC 5-METHYL-2'-DEOXYCYTIDINE MODRES 1RME MCY D 1 DC 5-METHYL-2'-DEOXYCYTIDINE HET MCY A 1 31 HET MCY B 1 31 HET MCY C 1 31 HET MCY D 1 31 HETNAM MCY 5-METHYL-2'-DEOXYCYTIDINE FORMUL 1 MCY 4(C10 H15 N3 O4) LINK O3' MCY A 1 P DC A 2 1555 1555 1.62 LINK O3' MCY B 1 P DC B 2 1555 1555 1.61 LINK O3' MCY C 1 P DC C 2 1555 1555 1.62 LINK O3' MCY D 1 P DC D 2 1555 1555 1.61 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 Set 1.1: C 3 DT C7 :methyl -30:sc= -0.659 (180deg=-1.33) USER MOD Set 1.2: D 3 DT C7 :methyl -30:sc= -0.328 (180deg=-1.38) USER MOD Set 2.1: A 3 DT C7 :methyl 150:sc= -0.161 (180deg=-0.161) USER MOD Set 2.2: B 3 DT C7 :methyl -30:sc= 0 (180deg=-0.613) USER MOD Single : A 1 MCY O5' : rot 180:sc= -0.07 USER MOD Single : A 5 DC O3' : rot 180:sc= 0 USER MOD Single : B 1 MCY O5' : rot -43:sc= 0.978 USER MOD Single : B 5 DC O3' : rot 180:sc= 0 USER MOD Single : C 1 MCY O5' : rot 180:sc= 0 USER MOD Single : C 5 DC O3' : rot 180:sc= 0 USER MOD Single : D 1 MCY O5' : rot 180:sc= -0.244 USER MOD Single : D 5 DC O3' : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- HETATM 1 N1 MCY A 1 8.985 0.714 3.380 1.00 0.00 N HETATM 2 C2 MCY A 1 8.890 0.791 2.006 1.00 0.00 C HETATM 3 N3 MCY A 1 8.951 -0.372 1.305 1.00 0.00 N HETATM 4 C4 MCY A 1 9.101 -1.558 1.923 1.00 0.00 C HETATM 5 C5 MCY A 1 9.197 -1.619 3.268 1.00 0.00 C HETATM 6 C6 MCY A 1 9.138 -0.491 3.992 1.00 0.00 C HETATM 7 O2 MCY A 1 8.762 1.879 1.446 1.00 0.00 O HETATM 8 N4 MCY A 1 9.136 -2.677 1.199 1.00 0.00 N HETATM 9 C1' MCY A 1 8.903 1.969 4.161 1.00 0.00 C HETATM 10 C2' MCY A 1 7.584 2.047 4.908 1.00 0.00 C HETATM 11 C3' MCY A 1 7.916 1.979 6.373 1.00 0.00 C HETATM 12 C4' MCY A 1 9.430 2.104 6.469 1.00 0.00 C HETATM 13 O4' MCY A 1 9.970 2.041 5.132 1.00 0.00 O HETATM 14 O3' MCY A 1 7.253 3.009 7.128 1.00 0.00 O HETATM 15 C5' MCY A 1 10.017 0.995 7.341 1.00 0.00 C HETATM 16 O5' MCY A 1 9.219 0.757 8.504 1.00 0.00 O HETATM 17 C5A MCY A 1 9.384 -2.966 3.965 1.00 0.00 C HETATM 0 HO5' MCY A 1 9.623 0.041 9.037 1.00 0.00 H new HETATM 0 HN42 MCY A 1 9.249 -3.580 1.660 1.00 0.00 H new HETATM 0 HN41 MCY A 1 9.049 -2.630 0.184 1.00 0.00 H new HETATM 0 H5A3 MCY A 1 8.540 -3.616 3.734 1.00 0.00 H new HETATM 0 H5A2 MCY A 1 10.306 -3.431 3.616 1.00 0.00 H new HETATM 0 H5A1 MCY A 1 9.440 -2.813 5.043 1.00 0.00 H new HETATM 0 H5'' MCY A 1 10.094 0.077 6.759 1.00 0.00 H new HETATM 0 H2'' MCY A 1 7.059 2.973 4.672 1.00 0.00 H new HETATM 0 H6 MCY A 1 9.213 -0.541 5.078 1.00 0.00 H new HETATM 0 H5' MCY A 1 11.028 1.267 7.643 1.00 0.00 H new HETATM 0 H4' MCY A 1 9.693 3.053 6.936 1.00 0.00 H new HETATM 0 H3' MCY A 1 7.567 1.040 6.803 1.00 0.00 H new HETATM 0 H2' MCY A 1 6.927 1.226 4.621 1.00 0.00 H new HETATM 0 H1' MCY A 1 8.986 2.796 3.456 1.00 0.00 H new ATOM 32 P DC A 2 7.240 4.551 6.646 1.00 0.00 P ATOM 33 OP1 DC A 2 8.480 4.817 5.883 1.00 0.00 O ATOM 34 OP2 DC A 2 6.899 5.395 7.813 1.00 0.00 O ATOM 35 O5' DC A 2 5.999 4.587 5.618 1.00 0.00 O ATOM 36 C5' DC A 2 4.700 4.130 6.016 1.00 0.00 C ATOM 37 C4' DC A 2 3.609 4.715 5.123 1.00 0.00 C ATOM 38 O4' DC A 2 3.666 4.128 3.805 1.00 0.00 O ATOM 39 C3' DC A 2 2.221 4.458 5.704 1.00 0.00 C ATOM 40 O3' DC A 2 1.588 5.689 6.084 1.00 0.00 O ATOM 41 C2' DC A 2 1.441 3.770 4.618 1.00 0.00 C ATOM 42 C1' DC A 2 2.374 3.612 3.428 1.00 0.00 C ATOM 43 N1 DC A 2 2.468 2.194 3.017 1.00 0.00 N ATOM 44 C2 DC A 2 2.325 1.910 1.668 1.00 0.00 C ATOM 45 O2 DC A 2 2.172 2.822 0.857 1.00 0.00 O ATOM 46 N3 DC A 2 2.360 0.607 1.276 1.00 0.00 N ATOM 47 C4 DC A 2 2.529 -0.378 2.168 1.00 0.00 C ATOM 48 N4 DC A 2 2.501 -1.647 1.751 1.00 0.00 N ATOM 49 C5 DC A 2 2.686 -0.088 3.558 1.00 0.00 C ATOM 50 C6 DC A 2 2.649 1.202 3.938 1.00 0.00 C ATOM 0 H5' DC A 2 4.515 4.412 7.052 1.00 0.00 H new ATOM 0 H5'' DC A 2 4.665 3.041 5.971 1.00 0.00 H new ATOM 0 H4' DC A 2 3.783 5.789 5.064 1.00 0.00 H new ATOM 0 H3' DC A 2 2.275 3.847 6.605 1.00 0.00 H new ATOM 0 H2' DC A 2 1.083 2.798 4.958 1.00 0.00 H new ATOM 0 H2'' DC A 2 0.563 4.356 4.344 1.00 0.00 H new ATOM 0 H1' DC A 2 1.988 4.166 2.573 1.00 0.00 H new ATOM 0 H41 DC A 2 2.628 -2.407 2.420 1.00 0.00 H new ATOM 0 H42 DC A 2 2.352 -1.856 0.764 1.00 0.00 H new ATOM 0 H5 DC A 2 2.830 -0.878 4.280 1.00 0.00 H new ATOM 0 H6 DC A 2 2.764 1.456 4.982 1.00 0.00 H new ATOM 62 P DT A 3 0.223 5.692 6.947 1.00 0.00 P ATOM 63 OP1 DT A 3 0.451 6.502 8.165 1.00 0.00 O ATOM 64 OP2 DT A 3 -0.257 4.296 7.071 1.00 0.00 O ATOM 65 O5' DT A 3 -0.801 6.500 5.993 1.00 0.00 O ATOM 66 C5' DT A 3 -1.849 5.818 5.292 1.00 0.00 C ATOM 67 C4' DT A 3 -1.901 6.224 3.819 1.00 0.00 C ATOM 68 O4' DT A 3 -0.887 5.534 3.054 1.00 0.00 O ATOM 69 C3' DT A 3 -3.259 5.888 3.221 1.00 0.00 C ATOM 70 O3' DT A 3 -3.929 7.075 2.785 1.00 0.00 O ATOM 71 C2' DT A 3 -2.994 4.968 2.061 1.00 0.00 C ATOM 72 C1' DT A 3 -1.490 4.761 1.992 1.00 0.00 C ATOM 73 N1 DT A 3 -1.158 3.331 2.140 1.00 0.00 N ATOM 74 C2 DT A 3 -0.777 2.639 1.007 1.00 0.00 C ATOM 75 O2 DT A 3 -0.694 3.177 -0.096 1.00 0.00 O ATOM 76 N3 DT A 3 -0.484 1.304 1.186 1.00 0.00 N ATOM 77 C4 DT A 3 -0.537 0.608 2.382 1.00 0.00 C ATOM 78 O4 DT A 3 -0.277 -0.593 2.419 1.00 0.00 O ATOM 79 C5 DT A 3 -0.938 1.415 3.512 1.00 0.00 C ATOM 80 C7 DT A 3 -0.993 0.789 4.904 1.00 0.00 C ATOM 81 C6 DT A 3 -1.234 2.719 3.361 1.00 0.00 C ATOM 0 H5' DT A 3 -2.806 6.039 5.764 1.00 0.00 H new ATOM 0 H5'' DT A 3 -1.697 4.741 5.368 1.00 0.00 H new ATOM 0 H4' DT A 3 -1.726 7.299 3.773 1.00 0.00 H new ATOM 0 H3' DT A 3 -3.907 5.414 3.958 1.00 0.00 H new ATOM 0 H2' DT A 3 -3.508 4.017 2.198 1.00 0.00 H new ATOM 0 H2'' DT A 3 -3.367 5.401 1.133 1.00 0.00 H new ATOM 0 H1' DT A 3 -1.108 5.088 1.025 1.00 0.00 H new ATOM 0 H3 DT A 3 -0.201 0.779 0.359 1.00 0.00 H new ATOM 0 H71 DT A 3 -0.782 1.551 5.654 1.00 0.00 H new ATOM 0 H72 DT A 3 -1.986 0.374 5.077 1.00 0.00 H new ATOM 0 H73 DT A 3 -0.250 -0.006 4.975 1.00 0.00 H new ATOM 0 H6 DT A 3 -1.538 3.295 4.223 1.00 0.00 H new ATOM 94 P DC A 4 -4.637 8.063 3.844 1.00 0.00 P ATOM 95 OP1 DC A 4 -4.077 9.420 3.657 1.00 0.00 O ATOM 96 OP2 DC A 4 -4.596 7.425 5.179 1.00 0.00 O ATOM 97 O5' DC A 4 -6.165 8.074 3.337 1.00 0.00 O ATOM 98 C5' DC A 4 -6.844 6.848 3.052 1.00 0.00 C ATOM 99 C4' DC A 4 -7.136 6.703 1.558 1.00 0.00 C ATOM 100 O4' DC A 4 -6.285 5.696 0.962 1.00 0.00 O ATOM 101 C3' DC A 4 -8.587 6.301 1.325 1.00 0.00 C ATOM 102 O3' DC A 4 -9.313 7.352 0.677 1.00 0.00 O ATOM 103 C2' DC A 4 -8.542 5.062 0.470 1.00 0.00 C ATOM 104 C1' DC A 4 -7.082 4.645 0.371 1.00 0.00 C ATOM 105 N1 DC A 4 -6.859 3.362 1.077 1.00 0.00 N ATOM 106 C2 DC A 4 -6.708 2.213 0.307 1.00 0.00 C ATOM 107 O2 DC A 4 -6.661 2.286 -0.921 1.00 0.00 O ATOM 108 N3 DC A 4 -6.586 1.020 0.949 1.00 0.00 N ATOM 109 C4 DC A 4 -6.603 0.951 2.286 1.00 0.00 C ATOM 110 N4 DC A 4 -6.513 -0.238 2.878 1.00 0.00 N ATOM 111 C5 DC A 4 -6.744 2.128 3.083 1.00 0.00 C ATOM 112 C6 DC A 4 -6.866 3.305 2.444 1.00 0.00 C ATOM 0 H5' DC A 4 -7.779 6.810 3.612 1.00 0.00 H new ATOM 0 H5'' DC A 4 -6.237 6.008 3.388 1.00 0.00 H new ATOM 0 H4' DC A 4 -6.942 7.671 1.097 1.00 0.00 H new ATOM 0 H3' DC A 4 -9.103 6.111 2.266 1.00 0.00 H new ATOM 0 H2' DC A 4 -9.142 4.266 0.912 1.00 0.00 H new ATOM 0 H2'' DC A 4 -8.955 5.260 -0.519 1.00 0.00 H new ATOM 0 H1' DC A 4 -6.800 4.497 -0.671 1.00 0.00 H new ATOM 0 H41 DC A 4 -6.525 -0.303 3.896 1.00 0.00 H new ATOM 0 H42 DC A 4 -6.432 -1.084 2.314 1.00 0.00 H new ATOM 0 H5 DC A 4 -6.752 2.075 4.162 1.00 0.00 H new ATOM 0 H6 DC A 4 -6.971 4.215 3.016 1.00 0.00 H new ATOM 124 P DC A 5 -9.826 8.629 1.517 1.00 0.00 P ATOM 125 OP1 DC A 5 -9.062 9.814 1.068 1.00 0.00 O ATOM 126 OP2 DC A 5 -9.846 8.266 2.953 1.00 0.00 O ATOM 127 O5' DC A 5 -11.348 8.793 1.019 1.00 0.00 O ATOM 128 C5' DC A 5 -12.268 7.700 1.107 1.00 0.00 C ATOM 129 C4' DC A 5 -12.419 6.992 -0.237 1.00 0.00 C ATOM 130 O4' DC A 5 -11.627 5.787 -0.277 1.00 0.00 O ATOM 131 C3' DC A 5 -13.868 6.607 -0.493 1.00 0.00 C ATOM 132 O3' DC A 5 -14.471 7.468 -1.464 1.00 0.00 O ATOM 133 C2' DC A 5 -13.841 5.186 -0.968 1.00 0.00 C ATOM 134 C1' DC A 5 -12.432 4.677 -0.733 1.00 0.00 C ATOM 135 N1 DC A 5 -12.441 3.583 0.261 1.00 0.00 N ATOM 136 C2 DC A 5 -12.405 2.279 -0.215 1.00 0.00 C ATOM 137 O2 DC A 5 -12.347 2.058 -1.425 1.00 0.00 O ATOM 138 N3 DC A 5 -12.433 1.263 0.690 1.00 0.00 N ATOM 139 C4 DC A 5 -12.492 1.509 2.004 1.00 0.00 C ATOM 140 N4 DC A 5 -12.519 0.486 2.857 1.00 0.00 N ATOM 141 C5 DC A 5 -12.526 2.849 2.502 1.00 0.00 C ATOM 142 C6 DC A 5 -12.501 3.852 1.600 1.00 0.00 C ATOM 0 H5' DC A 5 -13.240 8.066 1.439 1.00 0.00 H new ATOM 0 H5'' DC A 5 -11.921 6.990 1.858 1.00 0.00 H new ATOM 0 H4' DC A 5 -12.078 7.690 -1.002 1.00 0.00 H new ATOM 0 H3' DC A 5 -14.468 6.709 0.411 1.00 0.00 H new ATOM 0 H2' DC A 5 -14.567 4.582 -0.424 1.00 0.00 H new ATOM 0 H2'' DC A 5 -14.104 5.126 -2.024 1.00 0.00 H new ATOM 0 HO3' DC A 5 -15.401 7.196 -1.610 1.00 0.00 H new ATOM 0 H1' DC A 5 -12.013 4.274 -1.655 1.00 0.00 H new ATOM 0 H41 DC A 5 -12.564 0.660 3.861 1.00 0.00 H new ATOM 0 H42 DC A 5 -12.495 -0.471 2.506 1.00 0.00 H new ATOM 0 H5 DC A 5 -12.570 3.051 3.562 1.00 0.00 H new ATOM 0 H6 DC A 5 -12.529 4.877 1.939 1.00 0.00 H new TER 155 DC A 5 HETATM 156 N1 MCY B 1 -9.280 -1.855 2.992 1.00 0.00 N HETATM 157 C2 MCY B 1 -9.380 -1.506 1.662 1.00 0.00 C HETATM 158 N3 MCY B 1 -9.546 -0.192 1.365 1.00 0.00 N HETATM 159 C4 MCY B 1 -9.619 0.744 2.328 1.00 0.00 C HETATM 160 C5 MCY B 1 -9.535 0.391 3.629 1.00 0.00 C HETATM 161 C6 MCY B 1 -9.363 -0.902 3.961 1.00 0.00 C HETATM 162 O2 MCY B 1 -9.348 -2.368 0.787 1.00 0.00 O HETATM 163 N4 MCY B 1 -9.751 2.027 1.989 1.00 0.00 N HETATM 164 C1' MCY B 1 -9.040 -3.281 3.318 1.00 0.00 C HETATM 165 C2' MCY B 1 -7.571 -3.542 3.581 1.00 0.00 C HETATM 166 C3' MCY B 1 -7.482 -4.245 4.904 1.00 0.00 C HETATM 167 C4' MCY B 1 -8.906 -4.318 5.443 1.00 0.00 C HETATM 168 O4' MCY B 1 -9.782 -3.684 4.488 1.00 0.00 O HETATM 169 O3' MCY B 1 -6.920 -5.556 4.751 1.00 0.00 O HETATM 170 C5' MCY B 1 -9.012 -3.635 6.806 1.00 0.00 C HETATM 171 O5' MCY B 1 -7.867 -3.895 7.623 1.00 0.00 O HETATM 172 C5A MCY B 1 -9.666 1.455 4.718 1.00 0.00 C HETATM 0 HO5' MCY B 1 -7.624 -4.842 7.554 1.00 0.00 H new HETATM 0 HN42 MCY B 1 -9.807 2.743 2.714 1.00 0.00 H new HETATM 0 HN41 MCY B 1 -9.796 2.293 1.005 1.00 0.00 H new HETATM 0 H5A3 MCY B 1 -8.879 2.200 4.596 1.00 0.00 H new HETATM 0 H5A2 MCY B 1 -10.639 1.939 4.639 1.00 0.00 H new HETATM 0 H5A1 MCY B 1 -9.573 0.986 5.698 1.00 0.00 H new HETATM 0 H5'' MCY B 1 -9.121 -2.560 6.666 1.00 0.00 H new HETATM 0 H2'' MCY B 1 -7.140 -4.154 2.789 1.00 0.00 H new HETATM 0 H6 MCY B 1 -9.290 -1.188 5.010 1.00 0.00 H new HETATM 0 H5' MCY B 1 -9.910 -3.983 7.318 1.00 0.00 H new HETATM 0 H4' MCY B 1 -9.193 -5.360 5.581 1.00 0.00 H new HETATM 0 H3' MCY B 1 -6.829 -3.709 5.593 1.00 0.00 H new HETATM 0 H2' MCY B 1 -7.011 -2.607 3.602 1.00 0.00 H new HETATM 0 H1' MCY B 1 -9.371 -3.858 2.454 1.00 0.00 H new ATOM 187 P DC B 2 -5.954 -6.188 5.879 1.00 0.00 P ATOM 188 OP1 DC B 2 -5.456 -7.491 5.380 1.00 0.00 O ATOM 189 OP2 DC B 2 -6.652 -6.121 7.181 1.00 0.00 O ATOM 190 O5' DC B 2 -4.720 -5.147 5.912 1.00 0.00 O ATOM 191 C5' DC B 2 -3.415 -5.529 5.453 1.00 0.00 C ATOM 192 C4' DC B 2 -3.443 -5.996 3.998 1.00 0.00 C ATOM 193 O4' DC B 2 -4.348 -5.178 3.224 1.00 0.00 O ATOM 194 C3' DC B 2 -2.059 -5.918 3.364 1.00 0.00 C ATOM 195 O3' DC B 2 -1.580 -7.223 3.017 1.00 0.00 O ATOM 196 C2' DC B 2 -2.216 -5.060 2.135 1.00 0.00 C ATOM 197 C1' DC B 2 -3.664 -4.589 2.099 1.00 0.00 C ATOM 198 N1 DC B 2 -3.737 -3.108 2.144 1.00 0.00 N ATOM 199 C2 DC B 2 -3.654 -2.428 0.936 1.00 0.00 C ATOM 200 O2 DC B 2 -3.590 -3.049 -0.122 1.00 0.00 O ATOM 201 N3 DC B 2 -3.668 -1.071 0.958 1.00 0.00 N ATOM 202 C4 DC B 2 -3.763 -0.400 2.111 1.00 0.00 C ATOM 203 N4 DC B 2 -3.770 0.932 2.089 1.00 0.00 N ATOM 204 C5 DC B 2 -3.856 -1.090 3.358 1.00 0.00 C ATOM 205 C6 DC B 2 -3.842 -2.435 3.332 1.00 0.00 C ATOM 0 H5' DC B 2 -3.026 -6.328 6.084 1.00 0.00 H new ATOM 0 H5'' DC B 2 -2.733 -4.685 5.551 1.00 0.00 H new ATOM 0 H4' DC B 2 -3.780 -7.033 3.998 1.00 0.00 H new ATOM 0 H3' DC B 2 -1.329 -5.495 4.055 1.00 0.00 H new ATOM 0 H2' DC B 2 -1.535 -4.209 2.170 1.00 0.00 H new ATOM 0 H2'' DC B 2 -1.973 -5.627 1.236 1.00 0.00 H new ATOM 0 H1' DC B 2 -4.140 -4.902 1.170 1.00 0.00 H new ATOM 0 H41 DC B 2 -3.842 1.456 2.961 1.00 0.00 H new ATOM 0 H42 DC B 2 -3.703 1.428 1.200 1.00 0.00 H new ATOM 0 H5 DC B 2 -3.935 -0.550 4.290 1.00 0.00 H new ATOM 0 H6 DC B 2 -3.914 -2.989 4.256 1.00 0.00 H new ATOM 217 P DT B 3 -0.255 -7.821 3.715 1.00 0.00 P ATOM 218 OP1 DT B 3 0.349 -8.809 2.792 1.00 0.00 O ATOM 219 OP2 DT B 3 -0.603 -8.221 5.097 1.00 0.00 O ATOM 220 O5' DT B 3 0.719 -6.535 3.794 1.00 0.00 O ATOM 221 C5' DT B 3 1.774 -6.351 2.842 1.00 0.00 C ATOM 222 C4' DT B 3 3.140 -6.221 3.517 1.00 0.00 C ATOM 223 O4' DT B 3 3.449 -4.838 3.784 1.00 0.00 O ATOM 224 C3' DT B 3 3.175 -6.976 4.842 1.00 0.00 C ATOM 225 O3' DT B 3 4.161 -8.023 4.826 1.00 0.00 O ATOM 226 C2' DT B 3 3.478 -5.956 5.902 1.00 0.00 C ATOM 227 C1' DT B 3 3.746 -4.649 5.184 1.00 0.00 C ATOM 228 N1 DT B 3 2.940 -3.538 5.742 1.00 0.00 N ATOM 229 C2 DT B 3 3.601 -2.364 6.072 1.00 0.00 C ATOM 230 O2 DT B 3 4.817 -2.231 5.934 1.00 0.00 O ATOM 231 N3 DT B 3 2.809 -1.339 6.561 1.00 0.00 N ATOM 232 C4 DT B 3 1.439 -1.385 6.748 1.00 0.00 C ATOM 233 O4 DT B 3 0.835 -0.408 7.187 1.00 0.00 O ATOM 234 C5 DT B 3 0.837 -2.647 6.380 1.00 0.00 C ATOM 235 C7 DT B 3 -0.670 -2.834 6.539 1.00 0.00 C ATOM 236 C6 DT B 3 1.584 -3.661 5.899 1.00 0.00 C ATOM 0 H5' DT B 3 1.576 -5.458 2.250 1.00 0.00 H new ATOM 0 H5'' DT B 3 1.790 -7.194 2.151 1.00 0.00 H new ATOM 0 H4' DT B 3 3.874 -6.645 2.832 1.00 0.00 H new ATOM 0 H3' DT B 3 2.222 -7.468 5.034 1.00 0.00 H new ATOM 0 H2' DT B 3 2.640 -5.854 6.592 1.00 0.00 H new ATOM 0 H2'' DT B 3 4.343 -6.257 6.493 1.00 0.00 H new ATOM 0 H1' DT B 3 4.792 -4.374 5.319 1.00 0.00 H new ATOM 0 H3 DT B 3 3.280 -0.468 6.806 1.00 0.00 H new ATOM 0 H71 DT B 3 -1.027 -2.222 7.367 1.00 0.00 H new ATOM 0 H72 DT B 3 -1.173 -2.531 5.621 1.00 0.00 H new ATOM 0 H73 DT B 3 -0.887 -3.883 6.743 1.00 0.00 H new ATOM 0 H6 DT B 3 1.103 -4.590 5.632 1.00 0.00 H new ATOM 249 P DC B 4 5.687 -7.749 4.366 1.00 0.00 P ATOM 250 OP1 DC B 4 6.455 -9.000 4.548 1.00 0.00 O ATOM 251 OP2 DC B 4 6.153 -6.499 5.007 1.00 0.00 O ATOM 252 O5' DC B 4 5.536 -7.478 2.784 1.00 0.00 O ATOM 253 C5' DC B 4 6.692 -7.272 1.965 1.00 0.00 C ATOM 254 C4' DC B 4 6.310 -6.871 0.540 1.00 0.00 C ATOM 255 O4' DC B 4 5.354 -5.791 0.550 1.00 0.00 O ATOM 256 C3' DC B 4 7.535 -6.414 -0.239 1.00 0.00 C ATOM 257 O3' DC B 4 7.731 -7.226 -1.401 1.00 0.00 O ATOM 258 C2' DC B 4 7.282 -4.986 -0.621 1.00 0.00 C ATOM 259 C1' DC B 4 5.881 -4.645 -0.152 1.00 0.00 C ATOM 260 N1 DC B 4 5.888 -3.455 0.723 1.00 0.00 N ATOM 261 C2 DC B 4 5.540 -2.235 0.156 1.00 0.00 C ATOM 262 O2 DC B 4 5.287 -2.154 -1.047 1.00 0.00 O ATOM 263 N3 DC B 4 5.504 -1.140 0.961 1.00 0.00 N ATOM 264 C4 DC B 4 5.797 -1.231 2.264 1.00 0.00 C ATOM 265 N4 DC B 4 5.708 -0.143 3.026 1.00 0.00 N ATOM 266 C5 DC B 4 6.166 -2.481 2.852 1.00 0.00 C ATOM 267 C6 DC B 4 6.197 -3.562 2.050 1.00 0.00 C ATOM 0 H5' DC B 4 7.287 -8.185 1.939 1.00 0.00 H new ATOM 0 H5'' DC B 4 7.317 -6.496 2.406 1.00 0.00 H new ATOM 0 H4' DC B 4 5.873 -7.748 0.064 1.00 0.00 H new ATOM 0 H3' DC B 4 8.440 -6.505 0.361 1.00 0.00 H new ATOM 0 H2' DC B 4 8.016 -4.327 -0.157 1.00 0.00 H new ATOM 0 H2'' DC B 4 7.371 -4.853 -1.699 1.00 0.00 H new ATOM 0 H1' DC B 4 5.252 -4.407 -1.010 1.00 0.00 H new ATOM 0 H41 DC B 4 5.928 -0.197 4.020 1.00 0.00 H new ATOM 0 H42 DC B 4 5.420 0.745 2.615 1.00 0.00 H new ATOM 0 H5 DC B 4 6.411 -2.555 3.901 1.00 0.00 H new ATOM 0 H6 DC B 4 6.469 -4.524 2.460 1.00 0.00 H new ATOM 279 P DC B 5 9.141 -7.956 -1.666 1.00 0.00 P ATOM 280 OP1 DC B 5 9.027 -8.748 -2.912 1.00 0.00 O ATOM 281 OP2 DC B 5 9.564 -8.615 -0.410 1.00 0.00 O ATOM 282 O5' DC B 5 10.130 -6.716 -1.946 1.00 0.00 O ATOM 283 C5' DC B 5 11.541 -6.853 -1.757 1.00 0.00 C ATOM 284 C4' DC B 5 12.325 -6.022 -2.769 1.00 0.00 C ATOM 285 O4' DC B 5 12.066 -4.616 -2.586 1.00 0.00 O ATOM 286 C3' DC B 5 13.820 -6.250 -2.612 1.00 0.00 C ATOM 287 O3' DC B 5 14.351 -6.991 -3.714 1.00 0.00 O ATOM 288 C2' DC B 5 14.445 -4.890 -2.521 1.00 0.00 C ATOM 289 C1' DC B 5 13.306 -3.897 -2.420 1.00 0.00 C ATOM 290 N1 DC B 5 13.339 -3.196 -1.120 1.00 0.00 N ATOM 291 C2 DC B 5 13.791 -1.884 -1.106 1.00 0.00 C ATOM 292 O2 DC B 5 14.133 -1.333 -2.150 1.00 0.00 O ATOM 293 N3 DC B 5 13.837 -1.233 0.087 1.00 0.00 N ATOM 294 C4 DC B 5 13.456 -1.837 1.220 1.00 0.00 C ATOM 295 N4 DC B 5 13.517 -1.166 2.369 1.00 0.00 N ATOM 296 C5 DC B 5 12.988 -3.189 1.211 1.00 0.00 C ATOM 297 C6 DC B 5 12.946 -3.827 0.025 1.00 0.00 C ATOM 0 H5' DC B 5 11.821 -7.902 -1.851 1.00 0.00 H new ATOM 0 H5'' DC B 5 11.806 -6.542 -0.746 1.00 0.00 H new ATOM 0 H4' DC B 5 12.003 -6.334 -3.762 1.00 0.00 H new ATOM 0 H3' DC B 5 14.034 -6.840 -1.721 1.00 0.00 H new ATOM 0 H2' DC B 5 15.098 -4.821 -1.651 1.00 0.00 H new ATOM 0 H2'' DC B 5 15.060 -4.687 -3.398 1.00 0.00 H new ATOM 0 HO3' DC B 5 15.314 -7.121 -3.587 1.00 0.00 H new ATOM 0 H1' DC B 5 13.401 -3.140 -3.198 1.00 0.00 H new ATOM 0 H41 DC B 5 13.229 -1.616 3.238 1.00 0.00 H new ATOM 0 H42 DC B 5 13.851 -0.202 2.380 1.00 0.00 H new ATOM 0 H5 DC B 5 12.680 -3.680 2.122 1.00 0.00 H new ATOM 0 H6 DC B 5 12.598 -4.848 -0.020 1.00 0.00 H new TER 310 DC B 5 HETATM 311 N1 MCY C 1 8.976 -0.802 -3.439 1.00 0.00 N HETATM 312 C2 MCY C 1 8.892 -0.878 -2.064 1.00 0.00 C HETATM 313 N3 MCY C 1 8.976 0.283 -1.363 1.00 0.00 N HETATM 314 C4 MCY C 1 9.136 1.469 -1.980 1.00 0.00 C HETATM 315 C5 MCY C 1 9.218 1.529 -3.328 1.00 0.00 C HETATM 316 C6 MCY C 1 9.137 0.401 -4.052 1.00 0.00 C HETATM 317 O2 MCY C 1 8.752 -1.964 -1.504 1.00 0.00 O HETATM 318 N4 MCY C 1 9.213 2.584 -1.250 1.00 0.00 N HETATM 319 C1' MCY C 1 8.882 -2.059 -4.217 1.00 0.00 C HETATM 320 C2' MCY C 1 7.555 -2.145 -4.947 1.00 0.00 C HETATM 321 C3' MCY C 1 7.869 -2.123 -6.418 1.00 0.00 C HETATM 322 C4' MCY C 1 9.384 -2.230 -6.528 1.00 0.00 C HETATM 323 O4' MCY C 1 9.938 -2.135 -5.199 1.00 0.00 O HETATM 324 O3' MCY C 1 7.215 -3.189 -7.133 1.00 0.00 O HETATM 325 C5' MCY C 1 9.944 -1.128 -7.425 1.00 0.00 C HETATM 326 O5' MCY C 1 9.500 -1.271 -8.777 1.00 0.00 O HETATM 327 C5A MCY C 1 9.398 2.876 -4.029 1.00 0.00 C HETATM 0 HO5' MCY C 1 9.875 -0.549 -9.323 1.00 0.00 H new HETATM 0 HN42 MCY C 1 9.334 3.487 -1.709 1.00 0.00 H new HETATM 0 HN41 MCY C 1 9.151 2.533 -0.233 1.00 0.00 H new HETATM 0 H5A3 MCY C 1 8.556 3.526 -3.790 1.00 0.00 H new HETATM 0 H5A2 MCY C 1 10.324 3.342 -3.690 1.00 0.00 H new HETATM 0 H5A1 MCY C 1 9.443 2.722 -5.107 1.00 0.00 H new HETATM 0 H5'' MCY C 1 9.636 -0.155 -7.042 1.00 0.00 H new HETATM 0 H2'' MCY C 1 7.024 -3.058 -4.678 1.00 0.00 H new HETATM 0 H6 MCY C 1 9.201 0.450 -5.139 1.00 0.00 H new HETATM 0 H5' MCY C 1 11.033 -1.152 -7.395 1.00 0.00 H new HETATM 0 H4' MCY C 1 9.656 -3.184 -6.980 1.00 0.00 H new HETATM 0 H3' MCY C 1 7.499 -1.205 -6.874 1.00 0.00 H new HETATM 0 H2' MCY C 1 6.910 -1.309 -4.676 1.00 0.00 H new HETATM 0 H1' MCY C 1 8.971 -2.883 -3.508 1.00 0.00 H new ATOM 342 P DC C 2 7.140 -4.695 -6.551 1.00 0.00 P ATOM 343 OP1 DC C 2 8.372 -4.961 -5.775 1.00 0.00 O ATOM 344 OP2 DC C 2 6.756 -5.599 -7.657 1.00 0.00 O ATOM 345 O5' DC C 2 5.904 -4.608 -5.520 1.00 0.00 O ATOM 346 C5' DC C 2 4.622 -4.128 -5.944 1.00 0.00 C ATOM 347 C4' DC C 2 3.502 -4.726 -5.098 1.00 0.00 C ATOM 348 O4' DC C 2 3.572 -4.226 -3.745 1.00 0.00 O ATOM 349 C3' DC C 2 2.130 -4.376 -5.669 1.00 0.00 C ATOM 350 O3' DC C 2 1.461 -5.545 -6.165 1.00 0.00 O ATOM 351 C2' DC C 2 1.359 -3.762 -4.535 1.00 0.00 C ATOM 352 C1' DC C 2 2.298 -3.684 -3.342 1.00 0.00 C ATOM 353 N1 DC C 2 2.433 -2.286 -2.881 1.00 0.00 N ATOM 354 C2 DC C 2 2.248 -2.042 -1.522 1.00 0.00 C ATOM 355 O2 DC C 2 2.062 -2.943 -0.707 1.00 0.00 O ATOM 356 N3 DC C 2 2.303 -0.720 -1.137 1.00 0.00 N ATOM 357 C4 DC C 2 2.527 0.300 -2.008 1.00 0.00 C ATOM 358 N4 DC C 2 2.502 1.540 -1.522 1.00 0.00 N ATOM 359 C5 DC C 2 2.725 0.030 -3.388 1.00 0.00 C ATOM 360 C6 DC C 2 2.671 -1.266 -3.782 1.00 0.00 C ATOM 0 H5' DC C 2 4.464 -4.381 -6.992 1.00 0.00 H new ATOM 0 H5'' DC C 2 4.595 -3.041 -5.871 1.00 0.00 H new ATOM 0 H4' DC C 2 3.632 -5.808 -5.107 1.00 0.00 H new ATOM 0 H3' DC C 2 2.217 -3.692 -6.513 1.00 0.00 H new ATOM 0 H2' DC C 2 1.000 -2.770 -4.807 1.00 0.00 H new ATOM 0 H2'' DC C 2 0.482 -4.364 -4.296 1.00 0.00 H new ATOM 0 H1' DC C 2 1.901 -4.260 -2.506 1.00 0.00 H new ATOM 0 H41 DC C 2 2.665 2.334 -2.141 1.00 0.00 H new ATOM 0 H42 DC C 2 2.320 1.696 -0.531 1.00 0.00 H new ATOM 0 H5 DC C 2 2.911 0.825 -4.095 1.00 0.00 H new ATOM 0 H6 DC C 2 2.817 -1.507 -4.825 1.00 0.00 H new ATOM 372 P DT C 3 0.276 -5.423 -7.256 1.00 0.00 P ATOM 373 OP1 DT C 3 0.624 -6.283 -8.410 1.00 0.00 O ATOM 374 OP2 DT C 3 -0.017 -3.987 -7.473 1.00 0.00 O ATOM 375 O5' DT C 3 -0.985 -6.089 -6.497 1.00 0.00 O ATOM 376 C5' DT C 3 -1.877 -5.292 -5.706 1.00 0.00 C ATOM 377 C4' DT C 3 -2.004 -5.836 -4.287 1.00 0.00 C ATOM 378 O4' DT C 3 -0.943 -5.335 -3.443 1.00 0.00 O ATOM 379 C3' DT C 3 -3.333 -5.425 -3.672 1.00 0.00 C ATOM 380 O3' DT C 3 -4.223 -6.539 -3.578 1.00 0.00 O ATOM 381 C2' DT C 3 -3.003 -4.871 -2.313 1.00 0.00 C ATOM 382 C1' DT C 3 -1.493 -4.714 -2.258 1.00 0.00 C ATOM 383 N1 DT C 3 -1.131 -3.283 -2.197 1.00 0.00 N ATOM 384 C2 DT C 3 -0.888 -2.736 -0.952 1.00 0.00 C ATOM 385 O2 DT C 3 -0.910 -3.408 0.077 1.00 0.00 O ATOM 386 N3 DT C 3 -0.601 -1.387 -0.930 1.00 0.00 N ATOM 387 C4 DT C 3 -0.533 -0.547 -2.028 1.00 0.00 C ATOM 388 O4 DT C 3 -0.289 0.649 -1.888 1.00 0.00 O ATOM 389 C5 DT C 3 -0.792 -1.208 -3.288 1.00 0.00 C ATOM 390 C7 DT C 3 -0.721 -0.412 -4.589 1.00 0.00 C ATOM 391 C6 DT C 3 -1.077 -2.522 -3.334 1.00 0.00 C ATOM 0 H5' DT C 3 -2.860 -5.268 -6.177 1.00 0.00 H new ATOM 0 H5'' DT C 3 -1.515 -4.264 -5.672 1.00 0.00 H new ATOM 0 H4' DT C 3 -1.941 -6.922 -4.351 1.00 0.00 H new ATOM 0 H3' DT C 3 -3.844 -4.684 -4.286 1.00 0.00 H new ATOM 0 H2' DT C 3 -3.497 -3.912 -2.156 1.00 0.00 H new ATOM 0 H2'' DT C 3 -3.351 -5.542 -1.527 1.00 0.00 H new ATOM 0 H1' DT C 3 -1.089 -5.192 -1.366 1.00 0.00 H new ATOM 0 H3 DT C 3 -0.422 -0.968 -0.017 1.00 0.00 H new ATOM 0 H71 DT C 3 -0.996 0.625 -4.397 1.00 0.00 H new ATOM 0 H72 DT C 3 0.294 -0.451 -4.984 1.00 0.00 H new ATOM 0 H73 DT C 3 -1.410 -0.841 -5.316 1.00 0.00 H new ATOM 0 H6 DT C 3 -1.268 -2.987 -4.290 1.00 0.00 H new ATOM 404 P DC C 4 -5.545 -6.611 -4.497 1.00 0.00 P ATOM 405 OP1 DC C 4 -5.501 -7.870 -5.273 1.00 0.00 O ATOM 406 OP2 DC C 4 -5.700 -5.316 -5.200 1.00 0.00 O ATOM 407 O5' DC C 4 -6.721 -6.731 -3.406 1.00 0.00 O ATOM 408 C5' DC C 4 -6.582 -7.608 -2.286 1.00 0.00 C ATOM 409 C4' DC C 4 -7.021 -6.940 -0.988 1.00 0.00 C ATOM 410 O4' DC C 4 -6.262 -5.737 -0.736 1.00 0.00 O ATOM 411 C3' DC C 4 -8.494 -6.562 -1.038 1.00 0.00 C ATOM 412 O3' DC C 4 -9.286 -7.472 -0.267 1.00 0.00 O ATOM 413 C2' DC C 4 -8.575 -5.165 -0.481 1.00 0.00 C ATOM 414 C1' DC C 4 -7.144 -4.688 -0.282 1.00 0.00 C ATOM 415 N1 DC C 4 -6.904 -3.422 -1.014 1.00 0.00 N ATOM 416 C2 DC C 4 -6.740 -2.274 -0.240 1.00 0.00 C ATOM 417 O2 DC C 4 -6.697 -2.310 0.986 1.00 0.00 O ATOM 418 N3 DC C 4 -6.600 -1.093 -0.931 1.00 0.00 N ATOM 419 C4 DC C 4 -6.609 -1.021 -2.291 1.00 0.00 C ATOM 420 N4 DC C 4 -6.498 0.187 -2.846 1.00 0.00 N ATOM 421 C5 DC C 4 -6.763 -2.204 -3.071 1.00 0.00 C ATOM 422 C6 DC C 4 -6.906 -3.378 -2.401 1.00 0.00 C ATOM 0 H5' DC C 4 -5.543 -7.925 -2.199 1.00 0.00 H new ATOM 0 H5'' DC C 4 -7.176 -8.507 -2.452 1.00 0.00 H new ATOM 0 H4' DC C 4 -6.847 -7.662 -0.190 1.00 0.00 H new ATOM 0 H3' DC C 4 -8.884 -6.609 -2.055 1.00 0.00 H new ATOM 0 H2' DC C 4 -9.110 -4.507 -1.165 1.00 0.00 H new ATOM 0 H2'' DC C 4 -9.120 -5.156 0.463 1.00 0.00 H new ATOM 0 H1' DC C 4 -6.956 -4.480 0.771 1.00 0.00 H new ATOM 0 H41 DC C 4 -6.500 0.284 -3.861 1.00 0.00 H new ATOM 0 H42 DC C 4 -6.411 1.014 -2.255 1.00 0.00 H new ATOM 0 H5 DC C 4 -6.766 -2.169 -4.150 1.00 0.00 H new ATOM 0 H6 DC C 4 -7.024 -4.295 -2.959 1.00 0.00 H new ATOM 434 P DC C 5 -10.249 -8.539 -0.994 1.00 0.00 P ATOM 435 OP1 DC C 5 -11.014 -9.259 0.050 1.00 0.00 O ATOM 436 OP2 DC C 5 -9.440 -9.300 -1.973 1.00 0.00 O ATOM 437 O5' DC C 5 -11.267 -7.591 -1.811 1.00 0.00 O ATOM 438 C5' DC C 5 -12.617 -7.410 -1.370 1.00 0.00 C ATOM 439 C4' DC C 5 -12.676 -6.738 0.001 1.00 0.00 C ATOM 440 O4' DC C 5 -11.814 -5.583 0.047 1.00 0.00 O ATOM 441 C3' DC C 5 -14.090 -6.281 0.321 1.00 0.00 C ATOM 442 O3' DC C 5 -14.696 -7.120 1.308 1.00 0.00 O ATOM 443 C2' DC C 5 -13.970 -4.869 0.806 1.00 0.00 C ATOM 444 C1' DC C 5 -12.544 -4.435 0.530 1.00 0.00 C ATOM 445 N1 DC C 5 -12.523 -3.340 -0.461 1.00 0.00 N ATOM 446 C2 DC C 5 -12.411 -2.040 0.028 1.00 0.00 C ATOM 447 O2 DC C 5 -12.323 -1.792 1.229 1.00 0.00 O ATOM 448 N3 DC C 5 -12.410 -1.040 -0.920 1.00 0.00 N ATOM 449 C4 DC C 5 -12.509 -1.283 -2.259 1.00 0.00 C ATOM 450 N4 DC C 5 -12.500 -0.233 -3.081 1.00 0.00 N ATOM 451 C5 DC C 5 -12.620 -2.619 -2.738 1.00 0.00 C ATOM 452 C6 DC C 5 -12.626 -3.613 -1.811 1.00 0.00 C ATOM 0 H5' DC C 5 -13.118 -8.377 -1.324 1.00 0.00 H new ATOM 0 H5'' DC C 5 -13.159 -6.805 -2.096 1.00 0.00 H new ATOM 0 H4' DC C 5 -12.348 -7.477 0.732 1.00 0.00 H new ATOM 0 H3' DC C 5 -14.732 -6.342 -0.558 1.00 0.00 H new ATOM 0 H2' DC C 5 -14.679 -4.221 0.290 1.00 0.00 H new ATOM 0 H2'' DC C 5 -14.195 -4.805 1.871 1.00 0.00 H new ATOM 0 HO3' DC C 5 -15.604 -6.802 1.495 1.00 0.00 H new ATOM 0 H1' DC C 5 -12.078 -4.059 1.441 1.00 0.00 H new ATOM 0 H41 DC C 5 -12.572 -0.374 -4.089 1.00 0.00 H new ATOM 0 H42 DC C 5 -12.421 0.711 -2.702 1.00 0.00 H new ATOM 0 H5 DC C 5 -12.696 -2.834 -3.794 1.00 0.00 H new ATOM 0 H6 DC C 5 -12.713 -4.639 -2.137 1.00 0.00 H new TER 465 DC C 5 HETATM 466 N1 MCY D 1 -9.209 1.867 -2.923 1.00 0.00 N HETATM 467 C2 MCY D 1 -9.338 1.511 -1.597 1.00 0.00 C HETATM 468 N3 MCY D 1 -9.536 0.199 -1.311 1.00 0.00 N HETATM 469 C4 MCY D 1 -9.612 -0.730 -2.282 1.00 0.00 C HETATM 470 C5 MCY D 1 -9.499 -0.370 -3.579 1.00 0.00 C HETATM 471 C6 MCY D 1 -9.297 0.921 -3.899 1.00 0.00 C HETATM 472 O2 MCY D 1 -9.305 2.367 -0.716 1.00 0.00 O HETATM 473 N4 MCY D 1 -9.777 -2.012 -1.952 1.00 0.00 N HETATM 474 C1' MCY D 1 -8.924 3.289 -3.235 1.00 0.00 C HETATM 475 C2' MCY D 1 -7.448 3.506 -3.511 1.00 0.00 C HETATM 476 C3' MCY D 1 -7.350 4.199 -4.840 1.00 0.00 C HETATM 477 C4' MCY D 1 -8.778 4.350 -5.348 1.00 0.00 C HETATM 478 O4' MCY D 1 -9.664 3.730 -4.392 1.00 0.00 O HETATM 479 O3' MCY D 1 -6.710 5.476 -4.709 1.00 0.00 O HETATM 480 C5' MCY D 1 -8.936 3.708 -6.723 1.00 0.00 C HETATM 481 O5' MCY D 1 -8.473 2.354 -6.730 1.00 0.00 O HETATM 482 C5A MCY D 1 -9.627 -1.423 -4.681 1.00 0.00 C HETATM 0 HO5' MCY D 1 -8.590 1.973 -7.625 1.00 0.00 H new HETATM 0 HN42 MCY D 1 -9.836 -2.723 -2.681 1.00 0.00 H new HETATM 0 HN41 MCY D 1 -9.845 -2.281 -0.971 1.00 0.00 H new HETATM 0 H5A3 MCY D 1 -8.855 -2.181 -4.551 1.00 0.00 H new HETATM 0 H5A2 MCY D 1 -10.609 -1.892 -4.624 1.00 0.00 H new HETATM 0 H5A1 MCY D 1 -9.508 -0.947 -5.654 1.00 0.00 H new HETATM 0 H5'' MCY D 1 -9.985 3.736 -7.020 1.00 0.00 H new HETATM 0 H2'' MCY D 1 -6.993 4.110 -2.726 1.00 0.00 H new HETATM 0 H6 MCY D 1 -9.203 1.212 -4.945 1.00 0.00 H new HETATM 0 H5' MCY D 1 -8.381 4.287 -7.461 1.00 0.00 H new HETATM 0 H4' MCY D 1 -9.023 5.407 -5.453 1.00 0.00 H new HETATM 0 H3' MCY D 1 -6.744 3.624 -5.540 1.00 0.00 H new HETATM 0 H2' MCY D 1 -6.915 2.555 -3.531 1.00 0.00 H new HETATM 0 H1' MCY D 1 -9.227 3.865 -2.361 1.00 0.00 H new ATOM 497 P DC D 2 -5.819 6.083 -5.909 1.00 0.00 P ATOM 498 OP1 DC D 2 -5.347 7.426 -5.500 1.00 0.00 O ATOM 499 OP2 DC D 2 -6.572 5.923 -7.173 1.00 0.00 O ATOM 500 O5' DC D 2 -4.550 5.086 -5.949 1.00 0.00 O ATOM 501 C5' DC D 2 -3.252 5.525 -5.527 1.00 0.00 C ATOM 502 C4' DC D 2 -3.234 5.879 -4.041 1.00 0.00 C ATOM 503 O4' DC D 2 -4.113 5.001 -3.301 1.00 0.00 O ATOM 504 C3' DC D 2 -1.830 5.754 -3.459 1.00 0.00 C ATOM 505 O3' DC D 2 -1.349 7.027 -3.009 1.00 0.00 O ATOM 506 C2' DC D 2 -1.944 4.789 -2.307 1.00 0.00 C ATOM 507 C1' DC D 2 -3.407 4.379 -2.210 1.00 0.00 C ATOM 508 N1 DC D 2 -3.545 2.904 -2.249 1.00 0.00 N ATOM 509 C2 DC D 2 -3.529 2.239 -1.025 1.00 0.00 C ATOM 510 O2 DC D 2 -3.468 2.836 0.047 1.00 0.00 O ATOM 511 N3 DC D 2 -3.613 0.866 -1.083 1.00 0.00 N ATOM 512 C4 DC D 2 -3.711 0.176 -2.252 1.00 0.00 C ATOM 513 N4 DC D 2 -3.777 -1.154 -2.179 1.00 0.00 N ATOM 514 C5 DC D 2 -3.734 0.870 -3.494 1.00 0.00 C ATOM 515 C6 DC D 2 -3.651 2.225 -3.451 1.00 0.00 C ATOM 0 H5' DC D 2 -2.953 6.395 -6.112 1.00 0.00 H new ATOM 0 H5'' DC D 2 -2.520 4.741 -5.724 1.00 0.00 H new ATOM 0 H4' DC D 2 -3.572 6.912 -3.952 1.00 0.00 H new ATOM 0 H3' DC D 2 -1.121 5.400 -4.207 1.00 0.00 H new ATOM 0 H2' DC D 2 -1.310 3.918 -2.470 1.00 0.00 H new ATOM 0 H2'' DC D 2 -1.612 5.256 -1.379 1.00 0.00 H new ATOM 0 H1' DC D 2 -3.830 4.709 -1.261 1.00 0.00 H new ATOM 0 H41 DC D 2 -3.851 -1.709 -3.032 1.00 0.00 H new ATOM 0 H42 DC D 2 -3.753 -1.617 -1.270 1.00 0.00 H new ATOM 0 H5 DC D 2 -3.814 0.341 -4.432 1.00 0.00 H new ATOM 0 H6 DC D 2 -3.668 2.785 -4.374 1.00 0.00 H new ATOM 527 P DT D 3 -0.190 7.805 -3.818 1.00 0.00 P ATOM 528 OP1 DT D 3 -0.523 9.247 -3.827 1.00 0.00 O ATOM 529 OP2 DT D 3 0.046 7.096 -5.097 1.00 0.00 O ATOM 530 O5' DT D 3 1.104 7.593 -2.878 1.00 0.00 O ATOM 531 C5' DT D 3 1.676 6.292 -2.690 1.00 0.00 C ATOM 532 C4' DT D 3 3.080 6.193 -3.292 1.00 0.00 C ATOM 533 O4' DT D 3 3.429 4.817 -3.548 1.00 0.00 O ATOM 534 C3' DT D 3 3.168 6.953 -4.611 1.00 0.00 C ATOM 535 O3' DT D 3 4.130 8.022 -4.541 1.00 0.00 O ATOM 536 C2' DT D 3 3.544 5.947 -5.658 1.00 0.00 C ATOM 537 C1' DT D 3 3.776 4.635 -4.937 1.00 0.00 C ATOM 538 N1 DT D 3 2.983 3.535 -5.535 1.00 0.00 N ATOM 539 C2 DT D 3 3.644 2.354 -5.840 1.00 0.00 C ATOM 540 O2 DT D 3 4.849 2.205 -5.644 1.00 0.00 O ATOM 541 N3 DT D 3 2.864 1.343 -6.378 1.00 0.00 N ATOM 542 C4 DT D 3 1.507 1.409 -6.635 1.00 0.00 C ATOM 543 O4 DT D 3 0.915 0.445 -7.116 1.00 0.00 O ATOM 544 C5 DT D 3 0.903 2.676 -6.287 1.00 0.00 C ATOM 545 C7 DT D 3 -0.591 2.885 -6.521 1.00 0.00 C ATOM 546 C6 DT D 3 1.638 3.677 -5.760 1.00 0.00 C ATOM 0 H5' DT D 3 1.031 5.542 -3.148 1.00 0.00 H new ATOM 0 H5'' DT D 3 1.721 6.066 -1.625 1.00 0.00 H new ATOM 0 H4' DT D 3 3.769 6.629 -2.568 1.00 0.00 H new ATOM 0 H3' DT D 3 2.215 7.425 -4.850 1.00 0.00 H new ATOM 0 H2' DT D 3 2.752 5.846 -6.400 1.00 0.00 H new ATOM 0 H2'' DT D 3 4.442 6.260 -6.191 1.00 0.00 H new ATOM 0 H1' DT D 3 4.825 4.353 -5.031 1.00 0.00 H new ATOM 0 H3 DT D 3 3.335 0.468 -6.606 1.00 0.00 H new ATOM 0 H71 DT D 3 -0.913 2.285 -7.372 1.00 0.00 H new ATOM 0 H72 DT D 3 -1.144 2.581 -5.632 1.00 0.00 H new ATOM 0 H73 DT D 3 -0.783 3.938 -6.726 1.00 0.00 H new ATOM 0 H6 DT D 3 1.156 4.611 -5.510 1.00 0.00 H new ATOM 559 P DC D 4 5.662 7.767 -4.090 1.00 0.00 P ATOM 560 OP1 DC D 4 6.409 9.032 -4.266 1.00 0.00 O ATOM 561 OP2 DC D 4 6.147 6.530 -4.745 1.00 0.00 O ATOM 562 O5' DC D 4 5.527 7.481 -2.510 1.00 0.00 O ATOM 563 C5' DC D 4 6.684 7.182 -1.720 1.00 0.00 C ATOM 564 C4' DC D 4 6.303 6.774 -0.299 1.00 0.00 C ATOM 565 O4' DC D 4 5.335 5.704 -0.318 1.00 0.00 O ATOM 566 C3' DC D 4 7.525 6.295 0.474 1.00 0.00 C ATOM 567 O3' DC D 4 7.741 7.102 1.638 1.00 0.00 O ATOM 568 C2' DC D 4 7.250 4.871 0.855 1.00 0.00 C ATOM 569 C1' DC D 4 5.845 4.550 0.382 1.00 0.00 C ATOM 570 N1 DC D 4 5.842 3.359 -0.493 1.00 0.00 N ATOM 571 C2 DC D 4 5.491 2.140 0.087 1.00 0.00 C ATOM 572 O2 DC D 4 5.223 2.029 1.283 1.00 0.00 O ATOM 573 N3 DC D 4 5.481 1.053 -0.760 1.00 0.00 N ATOM 574 C4 DC D 4 5.793 1.140 -2.086 1.00 0.00 C ATOM 575 N4 DC D 4 5.721 0.028 -2.813 1.00 0.00 N ATOM 576 C5 DC D 4 6.154 2.392 -2.658 1.00 0.00 C ATOM 577 C6 DC D 4 6.165 3.470 -1.834 1.00 0.00 C ATOM 0 H5' DC D 4 7.338 8.054 -1.686 1.00 0.00 H new ATOM 0 H5'' DC D 4 7.249 6.378 -2.191 1.00 0.00 H new ATOM 0 H4' DC D 4 5.879 7.652 0.187 1.00 0.00 H new ATOM 0 H3' DC D 4 8.428 6.373 -0.131 1.00 0.00 H new ATOM 0 H2' DC D 4 7.975 4.201 0.393 1.00 0.00 H new ATOM 0 H2'' DC D 4 7.334 4.737 1.933 1.00 0.00 H new ATOM 0 H1' DC D 4 5.208 4.321 1.236 1.00 0.00 H new ATOM 0 H41 DC D 4 5.947 0.053 -3.807 1.00 0.00 H new ATOM 0 H42 DC D 4 5.440 -0.850 -2.376 1.00 0.00 H new ATOM 0 H5 DC D 4 6.408 2.480 -3.704 1.00 0.00 H new ATOM 0 H6 DC D 4 6.432 4.437 -2.234 1.00 0.00 H new ATOM 589 P DC D 5 9.114 7.922 1.831 1.00 0.00 P ATOM 590 OP1 DC D 5 8.942 8.851 2.970 1.00 0.00 O ATOM 591 OP2 DC D 5 9.533 8.443 0.510 1.00 0.00 O ATOM 592 O5' DC D 5 10.153 6.771 2.274 1.00 0.00 O ATOM 593 C5' DC D 5 11.502 6.786 1.798 1.00 0.00 C ATOM 594 C4' DC D 5 12.432 5.989 2.710 1.00 0.00 C ATOM 595 O4' DC D 5 12.254 4.572 2.512 1.00 0.00 O ATOM 596 C3' DC D 5 13.887 6.324 2.422 1.00 0.00 C ATOM 597 O3' DC D 5 14.465 7.079 3.491 1.00 0.00 O ATOM 598 C2' DC D 5 14.592 5.014 2.236 1.00 0.00 C ATOM 599 C1' DC D 5 13.520 3.945 2.213 1.00 0.00 C ATOM 600 N1 DC D 5 13.476 3.272 0.897 1.00 0.00 N ATOM 601 C2 DC D 5 14.017 1.990 0.812 1.00 0.00 C ATOM 602 O2 DC D 5 14.503 1.414 1.784 1.00 0.00 O ATOM 603 N3 DC D 5 13.961 1.395 -0.431 1.00 0.00 N ATOM 604 C4 DC D 5 13.414 2.002 -1.524 1.00 0.00 C ATOM 605 N4 DC D 5 13.412 1.329 -2.675 1.00 0.00 N ATOM 606 C5 DC D 5 12.867 3.312 -1.415 1.00 0.00 C ATOM 607 C6 DC D 5 12.918 3.907 -0.196 1.00 0.00 C ATOM 0 H5' DC D 5 11.853 7.816 1.731 1.00 0.00 H new ATOM 0 H5'' DC D 5 11.537 6.371 0.791 1.00 0.00 H new ATOM 0 H4' DC D 5 12.183 6.256 3.737 1.00 0.00 H new ATOM 0 H3' DC D 5 13.978 6.945 1.531 1.00 0.00 H new ATOM 0 H2' DC D 5 15.163 5.010 1.308 1.00 0.00 H new ATOM 0 H2'' DC D 5 15.299 4.836 3.046 1.00 0.00 H new ATOM 0 HO3' DC D 5 15.401 7.280 3.281 1.00 0.00 H new ATOM 0 H1' DC D 5 13.741 3.181 2.958 1.00 0.00 H new ATOM 0 H41 DC D 5 13.011 1.752 -3.512 1.00 0.00 H new ATOM 0 H42 DC D 5 13.811 0.391 -2.718 1.00 0.00 H new ATOM 0 H5 DC D 5 12.430 3.812 -2.267 1.00 0.00 H new ATOM 0 H6 DC D 5 12.513 4.901 -0.078 1.00 0.00 H new TER 620 DC D 5 CONECT 1 2 6 9 CONECT 2 1 3 7 CONECT 3 2 4 CONECT 4 3 5 8 CONECT 5 4 6 17 CONECT 6 1 5 18 CONECT 7 2 CONECT 8 4 19 20 CONECT 9 1 10 13 21 CONECT 10 9 11 22 23 CONECT 11 10 12 14 24 CONECT 12 11 13 15 25 CONECT 13 9 12 CONECT 14 11 32 CONECT 15 12 16 26 27 CONECT 16 15 28 CONECT 17 5 29 30 31 CONECT 18 6 CONECT 19 8 CONECT 20 8 CONECT 21 9 CONECT 22 10 CONECT 23 10 CONECT 24 11 CONECT 25 12 CONECT 26 15 CONECT 27 15 CONECT 28 16 CONECT 29 17 CONECT 30 17 CONECT 31 17 CONECT 32 14 CONECT 156 157 161 164 CONECT 157 156 158 162 CONECT 158 157 159 CONECT 159 158 160 163 CONECT 160 159 161 172 CONECT 161 156 160 173 CONECT 162 157 CONECT 163 159 174 175 CONECT 164 156 165 168 176 CONECT 165 164 166 177 178 CONECT 166 165 167 169 179 CONECT 167 166 168 170 180 CONECT 168 164 167 CONECT 169 166 187 CONECT 170 167 171 181 182 CONECT 171 170 183 CONECT 172 160 184 185 186 CONECT 173 161 CONECT 174 163 CONECT 175 163 CONECT 176 164 CONECT 177 165 CONECT 178 165 CONECT 179 166 CONECT 180 167 CONECT 181 170 CONECT 182 170 CONECT 183 171 CONECT 184 172 CONECT 185 172 CONECT 186 172 CONECT 187 169 CONECT 311 312 316 319 CONECT 312 311 313 317 CONECT 313 312 314 CONECT 314 313 315 318 CONECT 315 314 316 327 CONECT 316 311 315 328 CONECT 317 312 CONECT 318 314 329 330 CONECT 319 311 320 323 331 CONECT 320 319 321 332 333 CONECT 321 320 322 324 334 CONECT 322 321 323 325 335 CONECT 323 319 322 CONECT 324 321 342 CONECT 325 322 326 336 337 CONECT 326 325 338 CONECT 327 315 339 340 341 CONECT 328 316 CONECT 329 318 CONECT 330 318 CONECT 331 319 CONECT 332 320 CONECT 333 320 CONECT 334 321 CONECT 335 322 CONECT 336 325 CONECT 337 325 CONECT 338 326 CONECT 339 327 CONECT 340 327 CONECT 341 327 CONECT 342 324 CONECT 466 467 471 474 CONECT 467 466 468 472 CONECT 468 467 469 CONECT 469 468 470 473 CONECT 470 469 471 482 CONECT 471 466 470 483 CONECT 472 467 CONECT 473 469 484 485 CONECT 474 466 475 478 486 CONECT 475 474 476 487 488 CONECT 476 475 477 479 489 CONECT 477 476 478 480 490 CONECT 478 474 477 CONECT 479 476 497 CONECT 480 477 481 491 492 CONECT 481 480 493 CONECT 482 470 494 495 496 CONECT 483 471 CONECT 484 473 CONECT 485 473 CONECT 486 474 CONECT 487 475 CONECT 488 475 CONECT 489 476 CONECT 490 477 CONECT 491 480 CONECT 492 480 CONECT 493 481 CONECT 494 482 CONECT 495 482 CONECT 496 482 CONECT 497 479 END