HEADER    DNA                                     02-SEP-05   2AWV              
TITLE     NMR STRUCTURAL ANALYSIS OF THE DIMER OF 5MCCTCATCC                    
COMPND    MOL_ID: 1;                                                            
COMPND   2 MOLECULE: 5'-D(*(MCY)P*CP*TP*CP*AP*CP*TP*CP*C)-3';                   
COMPND   3 CHAIN: A, B;                                                         
COMPND   4 ENGINEERED: YES                                                      
SOURCE    MOL_ID: 1;                                                            
SOURCE   2 SYNTHETIC: YES;                                                      
SOURCE   3 OTHER_DETAILS: CHEMICALY SYNTHETIZED USING THE PHOSPHORAMIDITE       
SOURCE   4 METHOD                                                               
KEYWDS    I-MOTIF, HEMIPROTONATED CC+ PAIRS, DIMER, DNA                         
EXPDTA    SOLUTION NMR                                                          
AUTHOR    M.CANALIA,J.-L.LEROY                                                  
REVDAT   4   09-MAR-22 2AWV    1       REMARK LINK                              
REVDAT   3   24-FEB-09 2AWV    1       VERSN                                    
REVDAT   2   01-NOV-05 2AWV    1       JRNL                                     
REVDAT   1   20-SEP-05 2AWV    0                                                
JRNL        AUTH   M.CANALIA,J.-L.LEROY                                         
JRNL        TITL   STRUCTURE, INTERNAL MOTIONS AND ASSOCIATION-DISSOCIATION     
JRNL        TITL 2 KINETICS OF THE I-MOTIF DIMER OF D(5MCCTCACTCC).             
JRNL        REF    NUCLEIC ACIDS RES.            V.  33  5471 2005              
JRNL        REFN                   ISSN 0305-1048                               
JRNL        PMID   16204453                                                     
JRNL        DOI    10.1093/NAR/GKI843                                           
REMARK   2                                                                      
REMARK   2 RESOLUTION. NOT APPLICABLE.                                          
REMARK   3                                                                      
REMARK   3 REFINEMENT.                                                          
REMARK   3   PROGRAM     : FELIX 97.2, X-PLOR 3.851                             
REMARK   3   AUTHORS     : HARE D. (FELIX), BRUNGER (X-PLOR)                    
REMARK   3                                                                      
REMARK   3  OTHER REFINEMENT REMARKS: THE STRUCTURE IS BASED ON 565 NOE         
REMARK   3  -DERIVED, DISTANCE CONSTRAINTS, 17 DIHEDRAL ANGLE RESTRAINTS, 20    
REMARK   3  DISTANCE RESTRAINTS FROM HYDROGEN BONDS.                            
REMARK   4                                                                      
REMARK   4 2AWV COMPLIES WITH FORMAT V. 3.30, 13-JUL-11                         
REMARK 100                                                                      
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY PDBJ ON 07-SEP-05.                  
REMARK 100 THE DEPOSITION ID IS D_1000034409.                                   
REMARK 210                                                                      
REMARK 210 EXPERIMENTAL DETAILS                                                 
REMARK 210  EXPERIMENT TYPE                : NMR                                
REMARK 210  TEMPERATURE           (KELVIN) : 278                                
REMARK 210  PH                             : 4.5                                
REMARK 210  IONIC STRENGTH                 : 1 NA / PHOSPHATE                   
REMARK 210  PRESSURE                       : 1 ATM                              
REMARK 210  SAMPLE CONTENTS                : STRAND CONCENTRATION: 0.1 TO       
REMARK 210                                   10MM                               
REMARK 210                                                                      
REMARK 210  NMR EXPERIMENTS CONDUCTED      : 2D NOESY; E-COSY; 1H-31P COSY      
REMARK 210  SPECTROMETER FIELD STRENGTH    : 500 MHZ                            
REMARK 210  SPECTROMETER MODEL             : INOVA                              
REMARK 210  SPECTROMETER MANUFACTURER      : VARIAN                             
REMARK 210                                                                      
REMARK 210  STRUCTURE DETERMINATION.                                            
REMARK 210   SOFTWARE USED                 : X-PLOR 3.851, MOLMOL 2.4           
REMARK 210   METHOD USED                   : SIMULATED ANNEALING                
REMARK 210                                                                      
REMARK 210 CONFORMERS, NUMBER CALCULATED   : 10                                 
REMARK 210 CONFORMERS, NUMBER SUBMITTED    : 1                                  
REMARK 210 CONFORMERS, SELECTION CRITERIA  : BACK CALCULATED DATA AGREE WITH    
REMARK 210                                   EXPERIMENTAL NOESY SPECTRUM        
REMARK 210                                                                      
REMARK 210 BEST REPRESENTATIVE CONFORMER IN THIS ENSEMBLE : 1                   
REMARK 210                                                                      
REMARK 210 REMARK: THIS STRUCTURE WAS DETERMINED USING STANDARD 2D              
REMARK 210  HOMONUCLEAR AND HETERONUCLEAR TECHNIQUES                            
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 300                                                                      
REMARK 300 BIOMOLECULE: 1                                                       
REMARK 300 SEE REMARK 350 FOR THE AUTHOR PROVIDED AND/OR PROGRAM                
REMARK 300 GENERATED ASSEMBLY INFORMATION FOR THE STRUCTURE IN                  
REMARK 300 THIS ENTRY. THE REMARK MAY ALSO PROVIDE INFORMATION ON               
REMARK 300 BURIED SURFACE AREA.                                                 
REMARK 350                                                                      
REMARK 350 COORDINATES FOR A COMPLETE MULTIMER REPRESENTING THE KNOWN           
REMARK 350 BIOLOGICALLY SIGNIFICANT OLIGOMERIZATION STATE OF THE                
REMARK 350 MOLECULE CAN BE GENERATED BY APPLYING BIOMT TRANSFORMATIONS          
REMARK 350 GIVEN BELOW.  BOTH NON-CRYSTALLOGRAPHIC AND                          
REMARK 350 CRYSTALLOGRAPHIC OPERATIONS ARE GIVEN.                               
REMARK 350                                                                      
REMARK 350 BIOMOLECULE: 1                                                       
REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: DIMERIC                           
REMARK 350 APPLY THE FOLLOWING TO CHAINS: A, B                                  
REMARK 350   BIOMT1   1  1.000000  0.000000  0.000000        0.00000            
REMARK 350   BIOMT2   1  0.000000  1.000000  0.000000        0.00000            
REMARK 350   BIOMT3   1  0.000000  0.000000  1.000000        0.00000            
REMARK 500                                                                      
REMARK 500 GEOMETRY AND STEREOCHEMISTRY                                         
REMARK 500 SUBTOPIC: CLOSE CONTACTS                                             
REMARK 500                                                                      
REMARK 500 THE FOLLOWING ATOMS ARE IN CLOSE CONTACT.                            
REMARK 500                                                                      
REMARK 500  ATM1  RES C  SSEQI   ATM2  RES C  SSEQI           DISTANCE          
REMARK 500   H41   DC A     2     N3    DC B     2              1.43            
REMARK 500   O4    DT A     7     H3    DT B     7              1.54            
REMARK 500   N3    DC A     2     H41   DC B     2              1.54            
REMARK 500   H3    DT A     7     O4    DT B     7              1.58            
REMARK 500                                                                      
REMARK 500 REMARK: NULL                                                         
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     DT A   3   O4' -  C1' -  N1  ANGL. DEV. =   2.6 DEGREES          
REMARK 500     DC A   4   O4' -  C1' -  N1  ANGL. DEV. =   4.0 DEGREES          
REMARK 500     DA A   5   O4' -  C1' -  N9  ANGL. DEV. =   3.1 DEGREES          
REMARK 500     DA A   5   N7  -  C8  -  N9  ANGL. DEV. =   3.6 DEGREES          
REMARK 500     DC A   6   O4' -  C1' -  N1  ANGL. DEV. =   4.5 DEGREES          
REMARK 500     DT A   7   O4' -  C1' -  N1  ANGL. DEV. =   4.7 DEGREES          
REMARK 500     DC A   8   O4' -  C1' -  N1  ANGL. DEV. =   3.7 DEGREES          
REMARK 500     DC A   9   O4' -  C1' -  N1  ANGL. DEV. =   2.0 DEGREES          
REMARK 500     DT B   3   O4' -  C1' -  N1  ANGL. DEV. =   2.6 DEGREES          
REMARK 500     DC B   4   O4' -  C1' -  N1  ANGL. DEV. =   4.0 DEGREES          
REMARK 500     DA B   5   O4' -  C1' -  N9  ANGL. DEV. =   3.1 DEGREES          
REMARK 500     DA B   5   N7  -  C8  -  N9  ANGL. DEV. =   3.6 DEGREES          
REMARK 500     DC B   6   O4' -  C1' -  N1  ANGL. DEV. =   4.6 DEGREES          
REMARK 500     DT B   7   O4' -  C1' -  N1  ANGL. DEV. =   4.7 DEGREES          
REMARK 500     DC B   8   O4' -  C1' -  N1  ANGL. DEV. =   3.7 DEGREES          
REMARK 500     DC B   9   O4' -  C1' -  N1  ANGL. DEV. =   1.9 DEGREES          
REMARK 500                                                                      
REMARK 500 REMARK: NULL                                                         
REMARK 900                                                                      
REMARK 900 RELATED ENTRIES                                                      
REMARK 900 RELATED ID: 1Q2T   RELATED DB: PDB                                   
REMARK 900 I-MOTIF STRUCTUREWITHCOMPARABLE ORGANISATION                         
REMARK 900 RELATED ID: 1RME   RELATED DB: PDB                                   
REMARK 900 I-MOTIF STRUCTUREWITHCOMPARABLE ORGANISATION                         
DBREF  2AWV A    1     9  PDB    2AWV     2AWV             1      9             
DBREF  2AWV B    1     9  PDB    2AWV     2AWV             1      9             
SEQRES   1 A    9  MCY  DC  DT  DC  DA  DC  DT  DC  DC                          
SEQRES   1 B    9  MCY  DC  DT  DC  DA  DC  DT  DC  DC                          
MODRES 2AWV MCY A    1   DC  5-METHYL-2'-DEOXYCYTIDINE                          
MODRES 2AWV MCY B    1   DC  5-METHYL-2'-DEOXYCYTIDINE                          
HET    MCY  A   1      31                                                       
HET    MCY  B   1      31                                                       
HETNAM     MCY 5-METHYL-2'-DEOXYCYTIDINE                                        
FORMUL   1  MCY    2(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  1.62  
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                         
HETATM    1  N1  MCY A   1      -8.319   2.558  -2.601  1.00  0.00           N  
HETATM    2  C2  MCY A   1      -8.519   2.170  -1.300  1.00  0.00           C  
HETATM    3  N3  MCY A   1      -8.574   0.846  -1.044  1.00  0.00           N  
HETATM    4  C4  MCY A   1      -8.440  -0.065  -2.019  1.00  0.00           C  
HETATM    5  C5  MCY A   1      -8.257   0.330  -3.299  1.00  0.00           C  
HETATM    6  C6  MCY A   1      -8.195   1.637  -3.586  1.00  0.00           C  
HETATM    7  O2  MCY A   1      -8.640   3.009  -0.409  1.00  0.00           O  
HETATM    8  N4  MCY A   1      -8.425  -1.353  -1.699  1.00  0.00           N  
HETATM    9  C1' MCY A   1      -8.184   3.996  -2.865  1.00  0.00           C  
HETATM   10  C2' MCY A   1      -6.736   4.342  -3.158  1.00  0.00           C  
HETATM   11  C3' MCY A   1      -6.779   5.439  -4.194  1.00  0.00           C  
HETATM   12  C4' MCY A   1      -8.246   5.524  -4.622  1.00  0.00           C  
HETATM   13  O4' MCY A   1      -8.925   4.393  -4.028  1.00  0.00           O  
HETATM   14  O3' MCY A   1      -6.319   6.681  -3.644  1.00  0.00           O  
HETATM   15  C5' MCY A   1      -8.378   5.518  -6.146  1.00  0.00           C  
HETATM   16  O5' MCY A   1      -8.240   4.200  -6.683  1.00  0.00           O  
HETATM   17  C5A MCY A   1      -8.155  -0.700  -4.419  1.00  0.00           C  
HETATM   18  H6  MCY A   1      -8.040   1.961  -4.614  1.00  0.00           H  
HETATM   19 HN41 MCY A   1      -8.271  -2.051  -2.408  1.00  0.00           H  
HETATM   20 HN42 MCY A   1      -8.573  -1.629  -0.739  1.00  0.00           H  
HETATM   21  H1' MCY A   1      -8.537   4.550  -1.991  1.00  0.00           H  
HETATM   22  H2' MCY A   1      -6.212   3.471  -3.553  1.00  0.00           H  
HETATM   23 H2'' MCY A   1      -6.244   4.699  -2.256  1.00  0.00           H  
HETATM   24  H3' MCY A   1      -6.163   5.154  -5.051  1.00  0.00           H  
HETATM   25  H4' MCY A   1      -8.680   6.441  -4.229  1.00  0.00           H  
HETATM   26  H5' MCY A   1      -9.357   5.917  -6.423  1.00  0.00           H  
HETATM   27 H5'' MCY A   1      -7.604   6.157  -6.571  1.00  0.00           H  
HETATM   28 HO5' MCY A   1      -8.597   4.215  -7.574  1.00  0.00           H  
HETATM   29 H5A1 MCY A   1      -7.781  -1.641  -4.018  1.00  0.00           H  
HETATM   30 H5A2 MCY A   1      -7.472  -0.336  -5.188  1.00  0.00           H  
HETATM   31 H5A3 MCY A   1      -9.141  -0.859  -4.856  1.00  0.00           H  
ATOM     32  P    DC A   2      -5.265   7.607  -4.444  1.00  0.00           P  
ATOM     33  OP1  DC A   2      -4.664   8.555  -3.480  1.00  0.00           O  
ATOM     34  OP2  DC A   2      -5.934   8.120  -5.660  1.00  0.00           O  
ATOM     35  O5'  DC A   2      -4.126   6.557  -4.904  1.00  0.00           O  
ATOM     36  C5'  DC A   2      -2.763   6.709  -4.481  1.00  0.00           C  
ATOM     37  C4'  DC A   2      -2.622   6.475  -2.981  1.00  0.00           C  
ATOM     38  O4'  DC A   2      -3.238   5.244  -2.591  1.00  0.00           O  
ATOM     39  C3'  DC A   2      -1.176   6.360  -2.545  1.00  0.00           C  
ATOM     40  O3'  DC A   2      -0.595   7.627  -2.212  1.00  0.00           O  
ATOM     41  C2'  DC A   2      -1.226   5.449  -1.354  1.00  0.00           C  
ATOM     42  C1'  DC A   2      -2.575   4.762  -1.404  1.00  0.00           C  
ATOM     43  N1   DC A   2      -2.436   3.296  -1.495  1.00  0.00           N  
ATOM     44  C2   DC A   2      -2.090   2.582  -0.356  1.00  0.00           C  
ATOM     45  O2   DC A   2      -1.965   3.141   0.727  1.00  0.00           O  
ATOM     46  N3   DC A   2      -1.940   1.244  -0.466  1.00  0.00           N  
ATOM     47  C4   DC A   2      -2.127   0.620  -1.639  1.00  0.00           C  
ATOM     48  N4   DC A   2      -1.918  -0.696  -1.757  1.00  0.00           N  
ATOM     49  C5   DC A   2      -2.495   1.344  -2.789  1.00  0.00           C  
ATOM     50  C6   DC A   2      -2.634   2.669  -2.686  1.00  0.00           C  
ATOM     51  H5'  DC A   2      -2.424   7.718  -4.717  1.00  0.00           H  
ATOM     52 H5''  DC A   2      -2.141   5.990  -5.017  1.00  0.00           H  
ATOM     53  H4'  DC A   2      -3.093   7.287  -2.439  1.00  0.00           H  
ATOM     54  H3'  DC A   2      -0.600   5.880  -3.337  1.00  0.00           H  
ATOM     55  H2'  DC A   2      -0.396   4.744  -1.351  1.00  0.00           H  
ATOM     56 H2''  DC A   2      -1.204   6.056  -0.465  1.00  0.00           H  
ATOM     57  H1'  DC A   2      -3.133   5.021  -0.520  1.00  0.00           H  
ATOM     58  H41  DC A   2      -1.677  -1.257  -0.933  1.00  0.00           H  
ATOM     59  H42  DC A   2      -2.018  -1.142  -2.659  1.00  0.00           H  
ATOM     60  H5   DC A   2      -2.721   0.828  -3.698  1.00  0.00           H  
ATOM     61  H6   DC A   2      -2.917   3.253  -3.564  1.00  0.00           H  
ATOM     62  P    DT A   3       0.570   8.258  -3.133  1.00  0.00           P  
ATOM     63  OP1  DT A   3       1.206   9.366  -2.385  1.00  0.00           O  
ATOM     64  OP2  DT A   3       0.013   8.502  -4.482  1.00  0.00           O  
ATOM     65  O5'  DT A   3       1.633   7.043  -3.243  1.00  0.00           O  
ATOM     66  C5'  DT A   3       2.571   6.778  -2.187  1.00  0.00           C  
ATOM     67  C4'  DT A   3       3.950   6.416  -2.735  1.00  0.00           C  
ATOM     68  O4'  DT A   3       3.926   5.114  -3.361  1.00  0.00           O  
ATOM     69  C3'  DT A   3       4.417   7.435  -3.760  1.00  0.00           C  
ATOM     70  O3'  DT A   3       5.731   7.915  -3.438  1.00  0.00           O  
ATOM     71  C2'  DT A   3       4.421   6.700  -5.073  1.00  0.00           C  
ATOM     72  C1'  DT A   3       4.317   5.219  -4.742  1.00  0.00           C  
ATOM     73  N1   DT A   3       3.362   4.489  -5.622  1.00  0.00           N  
ATOM     74  C2   DT A   3       3.739   3.219  -6.029  1.00  0.00           C  
ATOM     75  O2   DT A   3       4.831   2.735  -5.733  1.00  0.00           O  
ATOM     76  N3   DT A   3       2.826   2.526  -6.801  1.00  0.00           N  
ATOM     77  C4   DT A   3       1.583   2.983  -7.200  1.00  0.00           C  
ATOM     78  O4   DT A   3       0.851   2.278  -7.892  1.00  0.00           O  
ATOM     79  C5   DT A   3       1.271   4.316  -6.734  1.00  0.00           C  
ATOM     80  C7   DT A   3      -0.079   4.934  -7.086  1.00  0.00           C  
ATOM     81  C6   DT A   3       2.143   5.016  -5.980  1.00  0.00           C  
ATOM     82  H5'  DT A   3       2.207   5.945  -1.581  1.00  0.00           H  
ATOM     83 H5''  DT A   3       2.659   7.665  -1.559  1.00  0.00           H  
ATOM     84  H4'  DT A   3       4.660   6.399  -1.923  1.00  0.00           H  
ATOM     85  H3'  DT A   3       3.713   8.269  -3.804  1.00  0.00           H  
ATOM     86  H2'  DT A   3       3.568   7.009  -5.657  1.00  0.00           H  
ATOM     87 H2''  DT A   3       5.345   6.901  -5.616  1.00  0.00           H  
ATOM     88  H1'  DT A   3       5.304   4.772  -4.856  1.00  0.00           H  
ATOM     89  H3   DT A   3       3.086   1.593  -7.090  1.00  0.00           H  
ATOM     90  H71  DT A   3      -0.859   4.472  -6.481  1.00  0.00           H  
ATOM     91  H72  DT A   3      -0.292   4.768  -8.142  1.00  0.00           H  
ATOM     92  H73  DT A   3      -0.052   6.005  -6.886  1.00  0.00           H  
ATOM     93  H6   DT A   3       1.877   6.024  -5.670  1.00  0.00           H  
ATOM     94  P    DC A   4       6.013   8.713  -2.063  1.00  0.00           P  
ATOM     95  OP1  DC A   4       4.764   9.399  -1.660  1.00  0.00           O  
ATOM     96  OP2  DC A   4       7.259   9.494  -2.230  1.00  0.00           O  
ATOM     97  O5'  DC A   4       6.300   7.524  -1.009  1.00  0.00           O  
ATOM     98  C5'  DC A   4       6.402   7.809   0.393  1.00  0.00           C  
ATOM     99  C4'  DC A   4       6.536   6.538   1.243  1.00  0.00           C  
ATOM    100  O4'  DC A   4       6.157   5.357   0.497  1.00  0.00           O  
ATOM    101  C3'  DC A   4       7.980   6.326   1.717  1.00  0.00           C  
ATOM    102  O3'  DC A   4       8.048   6.348   3.150  1.00  0.00           O  
ATOM    103  C2'  DC A   4       8.368   4.961   1.196  1.00  0.00           C  
ATOM    104  C1'  DC A   4       7.056   4.293   0.859  1.00  0.00           C  
ATOM    105  N1   DC A   4       7.216   3.300  -0.224  1.00  0.00           N  
ATOM    106  C2   DC A   4       7.184   1.962   0.138  1.00  0.00           C  
ATOM    107  O2   DC A   4       7.071   1.641   1.323  1.00  0.00           O  
ATOM    108  N3   DC A   4       7.314   1.030  -0.840  1.00  0.00           N  
ATOM    109  C4   DC A   4       7.479   1.385  -2.119  1.00  0.00           C  
ATOM    110  N4   DC A   4       7.538   0.436  -3.052  1.00  0.00           N  
ATOM    111  C5   DC A   4       7.533   2.761  -2.499  1.00  0.00           C  
ATOM    112  C6   DC A   4       7.386   3.682  -1.524  1.00  0.00           C  
ATOM    113  H5'  DC A   4       5.506   8.349   0.706  1.00  0.00           H  
ATOM    114 H5''  DC A   4       7.271   8.445   0.563  1.00  0.00           H  
ATOM    115  H4'  DC A   4       5.886   6.628   2.113  1.00  0.00           H  
ATOM    116  H3'  DC A   4       8.634   7.089   1.289  1.00  0.00           H  
ATOM    117  H2'  DC A   4       8.981   5.064   0.300  1.00  0.00           H  
ATOM    118 H2''  DC A   4       8.905   4.390   1.955  1.00  0.00           H  
ATOM    119  H1'  DC A   4       6.672   3.794   1.754  1.00  0.00           H  
ATOM    120  H41  DC A   4       7.466  -0.537  -2.784  1.00  0.00           H  
ATOM    121  H42  DC A   4       7.624   0.689  -4.028  1.00  0.00           H  
ATOM    122  H5   DC A   4       7.749   3.053  -3.529  1.00  0.00           H  
ATOM    123  H6   DC A   4       7.363   4.736  -1.780  1.00  0.00           H  
ATOM    124  P    DA A   5       8.662   7.608   3.944  1.00  0.00           P  
ATOM    125  OP1  DA A   5       7.767   7.916   5.082  1.00  0.00           O  
ATOM    126  OP2  DA A   5       8.995   8.664   2.961  1.00  0.00           O  
ATOM    127  O5'  DA A   5      10.040   7.014   4.533  1.00  0.00           O  
ATOM    128  C5'  DA A   5      10.045   5.954   5.501  1.00  0.00           C  
ATOM    129  C4'  DA A   5       9.890   4.579   4.825  1.00  0.00           C  
ATOM    130  O4'  DA A   5      10.640   4.548   3.592  1.00  0.00           O  
ATOM    131  C3'  DA A   5      10.400   3.403   5.693  1.00  0.00           C  
ATOM    132  O3'  DA A   5       9.361   2.441   5.910  1.00  0.00           O  
ATOM    133  C2'  DA A   5      11.499   2.772   4.879  1.00  0.00           C  
ATOM    134  C1'  DA A   5      11.253   3.261   3.467  1.00  0.00           C  
ATOM    135  N9   DA A   5      12.485   3.327   2.654  1.00  0.00           N  
ATOM    136  C8   DA A   5      13.734   3.762   2.962  1.00  0.00           C  
ATOM    137  N7   DA A   5      14.630   3.700   2.034  1.00  0.00           N  
ATOM    138  C5   DA A   5      13.897   3.161   0.973  1.00  0.00           C  
ATOM    139  C6   DA A   5      14.234   2.828  -0.343  1.00  0.00           C  
ATOM    140  N6   DA A   5      15.458   2.989  -0.844  1.00  0.00           N  
ATOM    141  N1   DA A   5      13.260   2.322  -1.122  1.00  0.00           N  
ATOM    142  C2   DA A   5      12.028   2.151  -0.634  1.00  0.00           C  
ATOM    143  N3   DA A   5      11.606   2.429   0.588  1.00  0.00           N  
ATOM    144  C4   DA A   5      12.595   2.935   1.345  1.00  0.00           C  
ATOM    145  H5'  DA A   5       9.221   6.106   6.199  1.00  0.00           H  
ATOM    146 H5''  DA A   5      10.988   5.998   6.044  1.00  0.00           H  
ATOM    147  H4'  DA A   5       8.837   4.416   4.594  1.00  0.00           H  
ATOM    148  H3'  DA A   5      10.797   3.752   6.647  1.00  0.00           H  
ATOM    149  H2'  DA A   5      12.469   3.099   5.243  1.00  0.00           H  
ATOM    150 H2''  DA A   5      11.426   1.685   4.922  1.00  0.00           H  
ATOM    151  H1'  DA A   5      10.551   2.585   2.984  1.00  0.00           H  
ATOM    152  H8   DA A   5      13.969   4.165   3.942  1.00  0.00           H  
ATOM    153  H61  DA A   5      15.650   2.733  -1.801  1.00  0.00           H  
ATOM    154  H62  DA A   5      16.194   3.368  -0.265  1.00  0.00           H  
ATOM    155  H2   DA A   5      11.285   1.752  -1.318  1.00  0.00           H  
ATOM    156  P    DC A   6       8.350   2.567   7.153  1.00  0.00           P  
ATOM    157  OP1  DC A   6       8.630   3.840   7.857  1.00  0.00           O  
ATOM    158  OP2  DC A   6       8.373   1.290   7.901  1.00  0.00           O  
ATOM    159  O5'  DC A   6       6.926   2.695   6.415  1.00  0.00           O  
ATOM    160  C5'  DC A   6       6.227   3.937   6.431  1.00  0.00           C  
ATOM    161  C4'  DC A   6       5.274   4.091   5.250  1.00  0.00           C  
ATOM    162  O4'  DC A   6       5.698   3.355   4.070  1.00  0.00           O  
ATOM    163  C3'  DC A   6       3.892   3.573   5.584  1.00  0.00           C  
ATOM    164  O3'  DC A   6       3.074   4.545   6.245  1.00  0.00           O  
ATOM    165  C2'  DC A   6       3.325   3.186   4.254  1.00  0.00           C  
ATOM    166  C1'  DC A   6       4.511   2.908   3.355  1.00  0.00           C  
ATOM    167  N1   DC A   6       4.557   1.471   3.011  1.00  0.00           N  
ATOM    168  C2   DC A   6       4.397   1.138   1.673  1.00  0.00           C  
ATOM    169  O2   DC A   6       4.292   2.022   0.822  1.00  0.00           O  
ATOM    170  N3   DC A   6       4.353  -0.177   1.336  1.00  0.00           N  
ATOM    171  C4   DC A   6       4.459  -1.133   2.265  1.00  0.00           C  
ATOM    172  N4   DC A   6       4.330  -2.412   1.895  1.00  0.00           N  
ATOM    173  C5   DC A   6       4.633  -0.795   3.645  1.00  0.00           C  
ATOM    174  C6   DC A   6       4.676   0.511   3.973  1.00  0.00           C  
ATOM    175  H5'  DC A   6       6.953   4.751   6.403  1.00  0.00           H  
ATOM    176 H5''  DC A   6       5.656   4.007   7.357  1.00  0.00           H  
ATOM    177  H4'  DC A   6       5.207   5.149   4.995  1.00  0.00           H  
ATOM    178  H3'  DC A   6       3.986   2.677   6.206  1.00  0.00           H  
ATOM    179  H2'  DC A   6       2.705   2.294   4.354  1.00  0.00           H  
ATOM    180 H2''  DC A   6       2.750   4.017   3.845  1.00  0.00           H  
ATOM    181  H1'  DC A   6       4.401   3.482   2.434  1.00  0.00           H  
ATOM    182  H41  DC A   6       4.238  -2.644   0.916  1.00  0.00           H  
ATOM    183  H42  DC A   6       4.345  -3.147   2.585  1.00  0.00           H  
ATOM    184  H5   DC A   6       4.750  -1.565   4.401  1.00  0.00           H  
ATOM    185  H6   DC A   6       4.802   0.801   5.016  1.00  0.00           H  
ATOM    186  P    DT A   7       2.098   4.087   7.449  1.00  0.00           P  
ATOM    187  OP1  DT A   7       2.059   5.176   8.451  1.00  0.00           O  
ATOM    188  OP2  DT A   7       2.489   2.720   7.867  1.00  0.00           O  
ATOM    189  O5'  DT A   7       0.651   3.999   6.734  1.00  0.00           O  
ATOM    190  C5'  DT A   7      -0.132   5.180   6.528  1.00  0.00           C  
ATOM    191  C4'  DT A   7      -0.202   5.571   5.047  1.00  0.00           C  
ATOM    192  O4'  DT A   7       0.838   4.945   4.271  1.00  0.00           O  
ATOM    193  C3'  DT A   7      -1.521   5.172   4.398  1.00  0.00           C  
ATOM    194  O3'  DT A   7      -2.478   6.234   4.484  1.00  0.00           O  
ATOM    195  C2'  DT A   7      -1.170   4.874   2.957  1.00  0.00           C  
ATOM    196  C1'  DT A   7       0.324   4.650   2.949  1.00  0.00           C  
ATOM    197  N1   DT A   7       0.539   3.277   2.554  1.00  0.00           N  
ATOM    198  C2   DT A   7       0.622   3.054   1.203  1.00  0.00           C  
ATOM    199  O2   DT A   7       0.637   3.973   0.383  1.00  0.00           O  
ATOM    200  N3   DT A   7       0.710   1.757   0.816  1.00  0.00           N  
ATOM    201  C4   DT A   7       0.761   0.656   1.668  1.00  0.00           C  
ATOM    202  O4   DT A   7       0.858  -0.479   1.228  1.00  0.00           O  
ATOM    203  C5   DT A   7       0.684   0.992   3.071  1.00  0.00           C  
ATOM    204  C7   DT A   7       0.805  -0.108   4.119  1.00  0.00           C  
ATOM    205  C6   DT A   7       0.559   2.264   3.466  1.00  0.00           C  
ATOM    206  H5'  DT A   7       0.325   6.000   7.084  1.00  0.00           H  
ATOM    207 H5''  DT A   7      -1.144   5.023   6.912  1.00  0.00           H  
ATOM    208  H4'  DT A   7      -0.089   6.653   4.975  1.00  0.00           H  
ATOM    209  H3'  DT A   7      -1.897   4.259   4.875  1.00  0.00           H  
ATOM    210  H2'  DT A   7      -1.688   3.952   2.590  1.00  0.00           H  
ATOM    211 H2''  DT A   7      -1.424   5.726   2.324  1.00  0.00           H  
ATOM    212  H1'  DT A   7       0.804   5.300   2.220  1.00  0.00           H  
ATOM    213  H3   DT A   7       0.639   1.589  -0.184  1.00  0.00           H  
ATOM    214  H71  DT A   7      -0.121  -0.682   4.153  1.00  0.00           H  
ATOM    215  H72  DT A   7       0.992   0.338   5.097  1.00  0.00           H  
ATOM    216  H73  DT A   7       1.632  -0.767   3.857  1.00  0.00           H  
ATOM    217  H6   DT A   7       0.379   2.484   4.522  1.00  0.00           H  
ATOM    218  P    DC A   8      -3.965   5.975   5.035  1.00  0.00           P  
ATOM    219  OP1  DC A   8      -4.011   6.413   6.448  1.00  0.00           O  
ATOM    220  OP2  DC A   8      -4.361   4.597   4.678  1.00  0.00           O  
ATOM    221  O5'  DC A   8      -4.853   7.001   4.161  1.00  0.00           O  
ATOM    222  C5'  DC A   8      -4.521   7.318   2.800  1.00  0.00           C  
ATOM    223  C4'  DC A   8      -5.382   6.529   1.798  1.00  0.00           C  
ATOM    224  O4'  DC A   8      -4.751   5.304   1.365  1.00  0.00           O  
ATOM    225  C3'  DC A   8      -6.726   6.116   2.385  1.00  0.00           C  
ATOM    226  O3'  DC A   8      -7.692   7.186   2.317  1.00  0.00           O  
ATOM    227  C2'  DC A   8      -7.103   4.904   1.563  1.00  0.00           C  
ATOM    228  C1'  DC A   8      -5.791   4.362   1.000  1.00  0.00           C  
ATOM    229  N1   DC A   8      -5.530   3.010   1.543  1.00  0.00           N  
ATOM    230  C2   DC A   8      -5.552   1.935   0.660  1.00  0.00           C  
ATOM    231  O2   DC A   8      -5.673   2.122  -0.554  1.00  0.00           O  
ATOM    232  N3   DC A   8      -5.420   0.681   1.176  1.00  0.00           N  
ATOM    233  C4   DC A   8      -5.271   0.483   2.484  1.00  0.00           C  
ATOM    234  N4   DC A   8      -5.199  -0.765   2.939  1.00  0.00           N  
ATOM    235  C5   DC A   8      -5.230   1.585   3.393  1.00  0.00           C  
ATOM    236  C6   DC A   8      -5.362   2.820   2.883  1.00  0.00           C  
ATOM    237  H5'  DC A   8      -3.464   7.107   2.621  1.00  0.00           H  
ATOM    238 H5''  DC A   8      -4.688   8.386   2.641  1.00  0.00           H  
ATOM    239  H4'  DC A   8      -5.558   7.152   0.923  1.00  0.00           H  
ATOM    240  H3'  DC A   8      -6.592   5.793   3.428  1.00  0.00           H  
ATOM    241  H2'  DC A   8      -7.580   4.161   2.201  1.00  0.00           H  
ATOM    242 H2''  DC A   8      -7.774   5.185   0.734  1.00  0.00           H  
ATOM    243  H1'  DC A   8      -5.860   4.309  -0.081  1.00  0.00           H  
ATOM    244  H41  DC A   8      -5.250  -1.540   2.288  1.00  0.00           H  
ATOM    245  H42  DC A   8      -5.112  -0.939   3.929  1.00  0.00           H  
ATOM    246  H5   DC A   8      -5.105   1.434   4.462  1.00  0.00           H  
ATOM    247  H6   DC A   8      -5.328   3.679   3.548  1.00  0.00           H  
ATOM    248  P    DC A   9      -9.206   6.968   1.799  1.00  0.00           P  
ATOM    249  OP1  DC A   9      -9.791   8.297   1.515  1.00  0.00           O  
ATOM    250  OP2  DC A   9      -9.887   6.050   2.739  1.00  0.00           O  
ATOM    251  O5'  DC A   9      -9.006   6.195   0.405  1.00  0.00           O  
ATOM    252  C5'  DC A   9      -9.346   6.808  -0.836  1.00  0.00           C  
ATOM    253  C4'  DC A   9     -10.637   6.228  -1.406  1.00  0.00           C  
ATOM    254  O4'  DC A   9     -10.551   4.797  -1.491  1.00  0.00           O  
ATOM    255  C3'  DC A   9     -11.851   6.556  -0.548  1.00  0.00           C  
ATOM    256  O3'  DC A   9     -12.511   7.741  -1.000  1.00  0.00           O  
ATOM    257  C2'  DC A   9     -12.731   5.352  -0.684  1.00  0.00           C  
ATOM    258  C1'  DC A   9     -11.808   4.217  -1.101  1.00  0.00           C  
ATOM    259  N1   DC A   9     -11.612   3.277   0.018  1.00  0.00           N  
ATOM    260  C2   DC A   9     -11.571   1.928  -0.276  1.00  0.00           C  
ATOM    261  O2   DC A   9     -11.687   1.544  -1.439  1.00  0.00           O  
ATOM    262  N3   DC A   9     -11.388   1.056   0.748  1.00  0.00           N  
ATOM    263  C4   DC A   9     -11.251   1.477   2.007  1.00  0.00           C  
ATOM    264  N4   DC A   9     -11.071   0.573   2.974  1.00  0.00           N  
ATOM    265  C5   DC A   9     -11.293   2.875   2.318  1.00  0.00           C  
ATOM    266  C6   DC A   9     -11.473   3.732   1.300  1.00  0.00           C  
ATOM    267  H5'  DC A   9      -8.538   6.626  -1.541  1.00  0.00           H  
ATOM    268 H5''  DC A   9      -9.459   7.884  -0.695  1.00  0.00           H  
ATOM    269  H4'  DC A   9     -10.800   6.618  -2.406  1.00  0.00           H  
ATOM    270  H3'  DC A   9     -11.552   6.657   0.503  1.00  0.00           H  
ATOM    271 HO3'  DC A   9     -13.283   7.868  -0.443  1.00  0.00           H  
ATOM    272  H2'  DC A   9     -13.214   5.123   0.266  1.00  0.00           H  
ATOM    273 H2''  DC A   9     -13.480   5.527  -1.455  1.00  0.00           H  
ATOM    274  H1'  DC A   9     -12.231   3.695  -1.950  1.00  0.00           H  
ATOM    275  H41  DC A   9     -11.027  -0.419   2.739  1.00  0.00           H  
ATOM    276  H42  DC A   9     -10.966   0.871   3.934  1.00  0.00           H  
ATOM    277  H5   DC A   9     -11.181   3.237   3.337  1.00  0.00           H  
ATOM    278  H6   DC A   9     -11.502   4.803   1.500  1.00  0.00           H  
TER     279       DC A   9                                                      
HETATM  280  N1  MCY B   1      -8.318  -2.565   2.596  1.00  0.00           N  
HETATM  281  C2  MCY B   1      -8.519  -2.179   1.294  1.00  0.00           C  
HETATM  282  N3  MCY B   1      -8.571  -0.855   1.035  1.00  0.00           N  
HETATM  283  C4  MCY B   1      -8.433   0.057   2.009  1.00  0.00           C  
HETATM  284  C5  MCY B   1      -8.250  -0.336   3.289  1.00  0.00           C  
HETATM  285  C6  MCY B   1      -8.190  -1.643   3.579  1.00  0.00           C  
HETATM  286  O2  MCY B   1      -8.646  -3.019   0.405  1.00  0.00           O  
HETATM  287  N4  MCY B   1      -8.417   1.345   1.687  1.00  0.00           N  
HETATM  288  C1' MCY B   1      -8.183  -4.003   2.862  1.00  0.00           C  
HETATM  289  C2' MCY B   1      -6.735  -4.348   3.156  1.00  0.00           C  
HETATM  290  C3' MCY B   1      -6.777  -5.443   4.193  1.00  0.00           C  
HETATM  291  C4' MCY B   1      -8.244  -5.527   4.623  1.00  0.00           C  
HETATM  292  O4' MCY B   1      -8.923  -4.398   4.027  1.00  0.00           O  
HETATM  293  O3' MCY B   1      -6.318  -6.686   3.644  1.00  0.00           O  
HETATM  294  C5' MCY B   1      -8.372  -5.517   6.147  1.00  0.00           C  
HETATM  295  O5' MCY B   1      -8.234  -4.197   6.680  1.00  0.00           O  
HETATM  296  C5A MCY B   1      -8.148   0.695   4.409  1.00  0.00           C  
HETATM  297  H6  MCY B   1      -8.033  -1.965   4.607  1.00  0.00           H  
HETATM  298 HN41 MCY B   1      -8.261   2.044   2.396  1.00  0.00           H  
HETATM  299 HN42 MCY B   1      -8.563   1.619   0.727  1.00  0.00           H  
HETATM  300  H1' MCY B   1      -8.536  -4.559   1.990  1.00  0.00           H  
HETATM  301  H2' MCY B   1      -6.211  -3.476   3.550  1.00  0.00           H  
HETATM  302 H2'' MCY B   1      -6.243  -4.706   2.255  1.00  0.00           H  
HETATM  303  H3' MCY B   1      -6.160  -5.157   5.049  1.00  0.00           H  
HETATM  304  H4' MCY B   1      -8.677  -6.445   4.234  1.00  0.00           H  
HETATM  305  H5' MCY B   1      -9.350  -5.917   6.428  1.00  0.00           H  
HETATM  306 H5'' MCY B   1      -7.596  -6.153   6.573  1.00  0.00           H  
HETATM  307 HO5' MCY B   1      -8.587  -4.210   7.573  1.00  0.00           H  
HETATM  308 H5A1 MCY B   1      -7.776   1.636   4.006  1.00  0.00           H  
HETATM  309 H5A2 MCY B   1      -7.464   0.333   5.176  1.00  0.00           H  
HETATM  310 H5A3 MCY B   1      -9.134   0.852   4.846  1.00  0.00           H  
ATOM    311  P    DC B   2      -5.249  -7.602   4.436  1.00  0.00           P  
ATOM    312  OP1  DC B   2      -4.649  -8.547   3.468  1.00  0.00           O  
ATOM    313  OP2  DC B   2      -5.902  -8.118   5.660  1.00  0.00           O  
ATOM    314  O5'  DC B   2      -4.114  -6.541   4.883  1.00  0.00           O  
ATOM    315  C5'  DC B   2      -2.750  -6.696   4.464  1.00  0.00           C  
ATOM    316  C4'  DC B   2      -2.605  -6.465   2.964  1.00  0.00           C  
ATOM    317  O4'  DC B   2      -3.217  -5.235   2.571  1.00  0.00           O  
ATOM    318  C3'  DC B   2      -1.157  -6.354   2.532  1.00  0.00           C  
ATOM    319  O3'  DC B   2      -0.577  -7.623   2.204  1.00  0.00           O  
ATOM    320  C2'  DC B   2      -1.201  -5.445   1.340  1.00  0.00           C  
ATOM    321  C1'  DC B   2      -2.548  -4.752   1.388  1.00  0.00           C  
ATOM    322  N1   DC B   2      -2.406  -3.290   1.488  1.00  0.00           N  
ATOM    323  C2   DC B   2      -2.027  -2.572   0.363  1.00  0.00           C  
ATOM    324  O2   DC B   2      -1.885  -3.131  -0.719  1.00  0.00           O  
ATOM    325  N3   DC B   2      -1.871  -1.230   0.483  1.00  0.00           N  
ATOM    326  C4   DC B   2      -2.091  -0.614   1.664  1.00  0.00           C  
ATOM    327  N4   DC B   2      -1.889   0.705   1.822  1.00  0.00           N  
ATOM    328  C5   DC B   2      -2.491  -1.350   2.793  1.00  0.00           C  
ATOM    329  C6   DC B   2      -2.632  -2.671   2.675  1.00  0.00           C  
ATOM    330  H5'  DC B   2      -2.413  -7.704   4.704  1.00  0.00           H  
ATOM    331 H5''  DC B   2      -2.129  -5.975   5.000  1.00  0.00           H  
ATOM    332  H4'  DC B   2      -3.076  -7.277   2.422  1.00  0.00           H  
ATOM    333  H3'  DC B   2      -0.583  -5.873   3.325  1.00  0.00           H  
ATOM    334  H2'  DC B   2      -0.369  -4.743   1.337  1.00  0.00           H  
ATOM    335 H2''  DC B   2      -1.182  -6.052   0.452  1.00  0.00           H  
ATOM    336  H1'  DC B   2      -3.103  -5.004   0.501  1.00  0.00           H  
ATOM    337  H41  DC B   2      -1.616   1.291   1.037  1.00  0.00           H  
ATOM    338  H42  DC B   2      -2.023   1.122   2.732  1.00  0.00           H  
ATOM    339  H5   DC B   2      -2.738  -0.844   3.703  1.00  0.00           H  
ATOM    340  H6   DC B   2      -2.938  -3.261   3.541  1.00  0.00           H  
ATOM    341  P    DT B   3       0.584  -8.248   3.135  1.00  0.00           P  
ATOM    342  OP1  DT B   3       1.224  -9.361   2.397  1.00  0.00           O  
ATOM    343  OP2  DT B   3       0.018  -8.484   4.482  1.00  0.00           O  
ATOM    344  O5'  DT B   3       1.645  -7.032   3.243  1.00  0.00           O  
ATOM    345  C5'  DT B   3       2.586  -6.769   2.189  1.00  0.00           C  
ATOM    346  C4'  DT B   3       3.963  -6.405   2.739  1.00  0.00           C  
ATOM    347  O4'  DT B   3       3.938  -5.103   3.366  1.00  0.00           O  
ATOM    348  C3'  DT B   3       4.430  -7.423   3.765  1.00  0.00           C  
ATOM    349  O3'  DT B   3       5.745  -7.902   3.444  1.00  0.00           O  
ATOM    350  C2'  DT B   3       4.433  -6.689   5.078  1.00  0.00           C  
ATOM    351  C1'  DT B   3       4.327  -5.208   4.748  1.00  0.00           C  
ATOM    352  N1   DT B   3       3.370  -4.480   5.626  1.00  0.00           N  
ATOM    353  C2   DT B   3       3.744  -3.209   6.033  1.00  0.00           C  
ATOM    354  O2   DT B   3       4.835  -2.722   5.737  1.00  0.00           O  
ATOM    355  N3   DT B   3       2.829  -2.517   6.804  1.00  0.00           N  
ATOM    356  C4   DT B   3       1.588  -2.977   7.204  1.00  0.00           C  
ATOM    357  O4   DT B   3       0.854  -2.274   7.895  1.00  0.00           O  
ATOM    358  C5   DT B   3       1.279  -4.311   6.739  1.00  0.00           C  
ATOM    359  C7   DT B   3      -0.069  -4.933   7.093  1.00  0.00           C  
ATOM    360  C6   DT B   3       2.153  -5.010   5.986  1.00  0.00           C  
ATOM    361  H5'  DT B   3       2.224  -5.937   1.581  1.00  0.00           H  
ATOM    362 H5''  DT B   3       2.677  -7.656   1.562  1.00  0.00           H  
ATOM    363  H4'  DT B   3       4.675  -6.386   1.929  1.00  0.00           H  
ATOM    364  H3'  DT B   3       3.728  -8.258   3.807  1.00  0.00           H  
ATOM    365  H2'  DT B   3       3.580  -7.000   5.661  1.00  0.00           H  
ATOM    366 H2''  DT B   3       5.357  -6.889   5.621  1.00  0.00           H  
ATOM    367  H1'  DT B   3       5.313  -4.760   4.863  1.00  0.00           H  
ATOM    368  H3   DT B   3       3.087  -1.584   7.093  1.00  0.00           H  
ATOM    369  H71  DT B   3      -0.851  -4.475   6.487  1.00  0.00           H  
ATOM    370  H72  DT B   3      -0.282  -4.765   8.149  1.00  0.00           H  
ATOM    371  H73  DT B   3      -0.038  -6.005   6.895  1.00  0.00           H  
ATOM    372  H6   DT B   3       1.889  -6.018   5.674  1.00  0.00           H  
ATOM    373  P    DC B   4       6.028  -8.703   2.070  1.00  0.00           P  
ATOM    374  OP1  DC B   4       4.780  -9.391   1.668  1.00  0.00           O  
ATOM    375  OP2  DC B   4       7.276  -9.481   2.237  1.00  0.00           O  
ATOM    376  O5'  DC B   4       6.313  -7.515   1.013  1.00  0.00           O  
ATOM    377  C5'  DC B   4       6.415  -7.803  -0.389  1.00  0.00           C  
ATOM    378  C4'  DC B   4       6.548  -6.533  -1.241  1.00  0.00           C  
ATOM    379  O4'  DC B   4       6.167  -5.351  -0.497  1.00  0.00           O  
ATOM    380  C3'  DC B   4       7.991  -6.319  -1.715  1.00  0.00           C  
ATOM    381  O3'  DC B   4       8.061  -6.343  -3.147  1.00  0.00           O  
ATOM    382  C2'  DC B   4       8.377  -4.953  -1.195  1.00  0.00           C  
ATOM    383  C1'  DC B   4       7.064  -4.287  -0.860  1.00  0.00           C  
ATOM    384  N1   DC B   4       7.223  -3.292   0.222  1.00  0.00           N  
ATOM    385  C2   DC B   4       7.187  -1.955  -0.139  1.00  0.00           C  
ATOM    386  O2   DC B   4       7.073  -1.635  -1.325  1.00  0.00           O  
ATOM    387  N3   DC B   4       7.314  -1.022   0.839  1.00  0.00           N  
ATOM    388  C4   DC B   4       7.480  -1.377   2.118  1.00  0.00           C  
ATOM    389  N4   DC B   4       7.536  -0.428   3.052  1.00  0.00           N  
ATOM    390  C5   DC B   4       7.539  -2.753   2.497  1.00  0.00           C  
ATOM    391  C6   DC B   4       7.396  -3.674   1.523  1.00  0.00           C  
ATOM    392  H5'  DC B   4       5.520  -8.344  -0.700  1.00  0.00           H  
ATOM    393 H5''  DC B   4       7.285  -8.437  -0.557  1.00  0.00           H  
ATOM    394  H4'  DC B   4       5.899  -6.625  -2.111  1.00  0.00           H  
ATOM    395  H3'  DC B   4       8.646  -7.081  -1.285  1.00  0.00           H  
ATOM    396  H2'  DC B   4       8.990  -5.054  -0.299  1.00  0.00           H  
ATOM    397 H2''  DC B   4       8.914  -4.382  -1.955  1.00  0.00           H  
ATOM    398  H1'  DC B   4       6.680  -3.789  -1.755  1.00  0.00           H  
ATOM    399  H41  DC B   4       7.462   0.544   2.784  1.00  0.00           H  
ATOM    400  H42  DC B   4       7.624  -0.681   4.027  1.00  0.00           H  
ATOM    401  H5   DC B   4       7.756  -3.044   3.528  1.00  0.00           H  
ATOM    402  H6   DC B   4       7.378  -4.728   1.778  1.00  0.00           H  
ATOM    403  P    DA B   5       8.677  -7.603  -3.939  1.00  0.00           P  
ATOM    404  OP1  DA B   5       7.783  -7.915  -5.077  1.00  0.00           O  
ATOM    405  OP2  DA B   5       9.012  -8.657  -2.954  1.00  0.00           O  
ATOM    406  O5'  DA B   5      10.054  -7.008  -4.529  1.00  0.00           O  
ATOM    407  C5'  DA B   5      10.057  -5.949  -5.498  1.00  0.00           C  
ATOM    408  C4'  DA B   5       9.899  -4.573  -4.824  1.00  0.00           C  
ATOM    409  O4'  DA B   5      10.648  -4.539  -3.591  1.00  0.00           O  
ATOM    410  C3'  DA B   5      10.407  -3.397  -5.693  1.00  0.00           C  
ATOM    411  O3'  DA B   5       9.367  -2.438  -5.913  1.00  0.00           O  
ATOM    412  C2'  DA B   5      11.506  -2.764  -4.880  1.00  0.00           C  
ATOM    413  C1'  DA B   5      11.259  -3.251  -3.467  1.00  0.00           C  
ATOM    414  N9   DA B   5      12.490  -3.314  -2.653  1.00  0.00           N  
ATOM    415  C8   DA B   5      13.740  -3.748  -2.959  1.00  0.00           C  
ATOM    416  N7   DA B   5      14.636  -3.684  -2.031  1.00  0.00           N  
ATOM    417  C5   DA B   5      13.901  -3.145  -0.971  1.00  0.00           C  
ATOM    418  C6   DA B   5      14.237  -2.810   0.345  1.00  0.00           C  
ATOM    419  N6   DA B   5      15.461  -2.969   0.847  1.00  0.00           N  
ATOM    420  N1   DA B   5      13.262  -2.303   1.122  1.00  0.00           N  
ATOM    421  C2   DA B   5      12.030  -2.135   0.634  1.00  0.00           C  
ATOM    422  N3   DA B   5      11.609  -2.415  -0.589  1.00  0.00           N  
ATOM    423  C4   DA B   5      12.600  -2.921  -1.345  1.00  0.00           C  
ATOM    424  H5'  DA B   5       9.233  -6.104  -6.197  1.00  0.00           H  
ATOM    425 H5''  DA B   5      11.000  -5.992  -6.042  1.00  0.00           H  
ATOM    426  H4'  DA B   5       8.846  -4.412  -4.595  1.00  0.00           H  
ATOM    427  H3'  DA B   5      10.806  -3.747  -6.647  1.00  0.00           H  
ATOM    428  H2'  DA B   5      12.476  -3.090  -5.242  1.00  0.00           H  
ATOM    429 H2''  DA B   5      11.431  -1.677  -4.924  1.00  0.00           H  
ATOM    430  H1'  DA B   5      10.556  -2.576  -2.985  1.00  0.00           H  
ATOM    431  H8   DA B   5      13.977  -4.152  -3.939  1.00  0.00           H  
ATOM    432  H61  DA B   5      15.652  -2.710   1.804  1.00  0.00           H  
ATOM    433  H62  DA B   5      16.198  -3.348   0.269  1.00  0.00           H  
ATOM    434  H2   DA B   5      11.286  -1.736   1.316  1.00  0.00           H  
ATOM    435  P    DC B   6       8.358  -2.566  -7.157  1.00  0.00           P  
ATOM    436  OP1  DC B   6       8.641  -3.840  -7.858  1.00  0.00           O  
ATOM    437  OP2  DC B   6       8.379  -1.291  -7.906  1.00  0.00           O  
ATOM    438  O5'  DC B   6       6.933  -2.696  -6.420  1.00  0.00           O  
ATOM    439  C5'  DC B   6       6.236  -3.940  -6.434  1.00  0.00           C  
ATOM    440  C4'  DC B   6       5.281  -4.091  -5.253  1.00  0.00           C  
ATOM    441  O4'  DC B   6       5.706  -3.354  -4.075  1.00  0.00           O  
ATOM    442  C3'  DC B   6       3.899  -3.574  -5.588  1.00  0.00           C  
ATOM    443  O3'  DC B   6       3.079  -4.547  -6.246  1.00  0.00           O  
ATOM    444  C2'  DC B   6       3.334  -3.185  -4.258  1.00  0.00           C  
ATOM    445  C1'  DC B   6       4.521  -2.907  -3.359  1.00  0.00           C  
ATOM    446  N1   DC B   6       4.564  -1.470  -3.014  1.00  0.00           N  
ATOM    447  C2   DC B   6       4.398  -1.138  -1.677  1.00  0.00           C  
ATOM    448  O2   DC B   6       4.294  -2.022  -0.827  1.00  0.00           O  
ATOM    449  N3   DC B   6       4.347   0.177  -1.340  1.00  0.00           N  
ATOM    450  C4   DC B   6       4.454   1.134  -2.268  1.00  0.00           C  
ATOM    451  N4   DC B   6       4.318   2.412  -1.899  1.00  0.00           N  
ATOM    452  C5   DC B   6       4.636   0.797  -3.648  1.00  0.00           C  
ATOM    453  C6   DC B   6       4.685  -0.509  -3.976  1.00  0.00           C  
ATOM    454  H5'  DC B   6       6.963  -4.752  -6.402  1.00  0.00           H  
ATOM    455 H5''  DC B   6       5.667  -4.014  -7.361  1.00  0.00           H  
ATOM    456  H4'  DC B   6       5.215  -5.149  -4.996  1.00  0.00           H  
ATOM    457  H3'  DC B   6       3.992  -2.678  -6.212  1.00  0.00           H  
ATOM    458  H2'  DC B   6       2.714  -2.294  -4.359  1.00  0.00           H  
ATOM    459 H2''  DC B   6       2.760  -4.016  -3.848  1.00  0.00           H  
ATOM    460  H1'  DC B   6       4.412  -3.482  -2.438  1.00  0.00           H  
ATOM    461  H41  DC B   6       4.219   2.643  -0.919  1.00  0.00           H  
ATOM    462  H42  DC B   6       4.334   3.148  -2.587  1.00  0.00           H  
ATOM    463  H5   DC B   6       4.757   1.567  -4.403  1.00  0.00           H  
ATOM    464  H6   DC B   6       4.817  -0.799  -5.018  1.00  0.00           H  
ATOM    465  P    DT B   7       2.103  -4.093  -7.453  1.00  0.00           P  
ATOM    466  OP1  DT B   7       2.067  -5.184  -8.453  1.00  0.00           O  
ATOM    467  OP2  DT B   7       2.489  -2.726  -7.871  1.00  0.00           O  
ATOM    468  O5'  DT B   7       0.653  -4.008  -6.740  1.00  0.00           O  
ATOM    469  C5'  DT B   7      -0.129  -5.190  -6.532  1.00  0.00           C  
ATOM    470  C4'  DT B   7      -0.192  -5.582  -5.051  1.00  0.00           C  
ATOM    471  O4'  DT B   7       0.855  -4.961  -4.281  1.00  0.00           O  
ATOM    472  C3'  DT B   7      -1.507  -5.178  -4.393  1.00  0.00           C  
ATOM    473  O3'  DT B   7      -2.466  -6.238  -4.469  1.00  0.00           O  
ATOM    474  C2'  DT B   7      -1.145  -4.880  -2.954  1.00  0.00           C  
ATOM    475  C1'  DT B   7       0.351  -4.663  -2.956  1.00  0.00           C  
ATOM    476  N1   DT B   7       0.572  -3.290  -2.563  1.00  0.00           N  
ATOM    477  C2   DT B   7       0.668  -3.065  -1.211  1.00  0.00           C  
ATOM    478  O2   DT B   7       0.701  -3.982  -0.391  1.00  0.00           O  
ATOM    479  N3   DT B   7       0.757  -1.763  -0.827  1.00  0.00           N  
ATOM    480  C4   DT B   7       0.799  -0.669  -1.686  1.00  0.00           C  
ATOM    481  O4   DT B   7       0.916   0.461  -1.256  1.00  0.00           O  
ATOM    482  C5   DT B   7       0.709  -1.006  -3.084  1.00  0.00           C  
ATOM    483  C7   DT B   7       0.821   0.096  -4.131  1.00  0.00           C  
ATOM    484  C6   DT B   7       0.582  -2.278  -3.477  1.00  0.00           C  
ATOM    485  H5'  DT B   7       0.326  -6.010  -7.091  1.00  0.00           H  
ATOM    486 H5''  DT B   7      -1.143  -5.034  -6.912  1.00  0.00           H  
ATOM    487  H4'  DT B   7      -0.084  -6.664  -4.980  1.00  0.00           H  
ATOM    488  H3'  DT B   7      -1.884  -4.265  -4.868  1.00  0.00           H  
ATOM    489  H2'  DT B   7      -1.657  -3.954  -2.584  1.00  0.00           H  
ATOM    490 H2''  DT B   7      -1.399  -5.729  -2.319  1.00  0.00           H  
ATOM    491  H1'  DT B   7       0.833  -5.314  -2.229  1.00  0.00           H  
ATOM    492  H3   DT B   7       0.682  -1.586   0.179  1.00  0.00           H  
ATOM    493  H71  DT B   7      -0.109   0.665  -4.160  1.00  0.00           H  
ATOM    494  H72  DT B   7       1.008  -0.345  -5.110  1.00  0.00           H  
ATOM    495  H73  DT B   7       1.644   0.759  -3.869  1.00  0.00           H  
ATOM    496  H6   DT B   7       0.391  -2.498  -4.530  1.00  0.00           H  
ATOM    497  P    DC B   8      -3.951  -5.983  -5.029  1.00  0.00           P  
ATOM    498  OP1  DC B   8      -3.989  -6.428  -6.440  1.00  0.00           O  
ATOM    499  OP2  DC B   8      -4.350  -4.603  -4.681  1.00  0.00           O  
ATOM    500  O5'  DC B   8      -4.840  -7.005  -4.154  1.00  0.00           O  
ATOM    501  C5'  DC B   8      -4.508  -7.320  -2.792  1.00  0.00           C  
ATOM    502  C4'  DC B   8      -5.373  -6.533  -1.791  1.00  0.00           C  
ATOM    503  O4'  DC B   8      -4.745  -5.307  -1.358  1.00  0.00           O  
ATOM    504  C3'  DC B   8      -6.716  -6.124  -2.380  1.00  0.00           C  
ATOM    505  O3'  DC B   8      -7.679  -7.197  -2.315  1.00  0.00           O  
ATOM    506  C2'  DC B   8      -7.099  -4.913  -1.558  1.00  0.00           C  
ATOM    507  C1'  DC B   8      -5.790  -4.367  -0.994  1.00  0.00           C  
ATOM    508  N1   DC B   8      -5.531  -3.014  -1.535  1.00  0.00           N  
ATOM    509  C2   DC B   8      -5.565  -1.937  -0.654  1.00  0.00           C  
ATOM    510  O2   DC B   8      -5.686  -2.123   0.560  1.00  0.00           O  
ATOM    511  N3   DC B   8      -5.438  -0.682  -1.172  1.00  0.00           N  
ATOM    512  C4   DC B   8      -5.282  -0.486  -2.479  1.00  0.00           C  
ATOM    513  N4   DC B   8      -5.215   0.761  -2.937  1.00  0.00           N  
ATOM    514  C5   DC B   8      -5.229  -1.590  -3.386  1.00  0.00           C  
ATOM    515  C6   DC B   8      -5.356  -2.824  -2.874  1.00  0.00           C  
ATOM    516  H5'  DC B   8      -3.452  -7.105  -2.612  1.00  0.00           H  
ATOM    517 H5''  DC B   8      -4.671  -8.389  -2.632  1.00  0.00           H  
ATOM    518  H4'  DC B   8      -5.549  -7.157  -0.917  1.00  0.00           H  
ATOM    519  H3'  DC B   8      -6.582  -5.800  -3.423  1.00  0.00           H  
ATOM    520  H2'  DC B   8      -7.577  -4.172  -2.196  1.00  0.00           H  
ATOM    521 H2''  DC B   8      -7.770  -5.197  -0.730  1.00  0.00           H  
ATOM    522  H1'  DC B   8      -5.860  -4.315   0.087  1.00  0.00           H  
ATOM    523  H41  DC B   8      -5.272   1.537  -2.288  1.00  0.00           H  
ATOM    524  H42  DC B   8      -5.125   0.933  -3.927  1.00  0.00           H  
ATOM    525  H5   DC B   8      -5.098  -1.440  -4.455  1.00  0.00           H  
ATOM    526  H6   DC B   8      -5.313  -3.684  -3.538  1.00  0.00           H  
ATOM    527  P    DC B   9      -9.194  -6.984  -1.797  1.00  0.00           P  
ATOM    528  OP1  DC B   9      -9.775  -8.315  -1.512  1.00  0.00           O  
ATOM    529  OP2  DC B   9      -9.879  -6.069  -2.739  1.00  0.00           O  
ATOM    530  O5'  DC B   9      -8.997  -6.208  -0.405  1.00  0.00           O  
ATOM    531  C5'  DC B   9      -9.335  -6.820   0.838  1.00  0.00           C  
ATOM    532  C4'  DC B   9     -10.626  -6.239   1.407  1.00  0.00           C  
ATOM    533  O4'  DC B   9     -10.543  -4.809   1.490  1.00  0.00           O  
ATOM    534  C3'  DC B   9     -11.839  -6.569   0.548  1.00  0.00           C  
ATOM    535  O3'  DC B   9     -12.498  -7.756   1.000  1.00  0.00           O  
ATOM    536  C2'  DC B   9     -12.722  -5.367   0.683  1.00  0.00           C  
ATOM    537  C1'  DC B   9     -11.801  -4.231   1.101  1.00  0.00           C  
ATOM    538  N1   DC B   9     -11.606  -3.290  -0.019  1.00  0.00           N  
ATOM    539  C2   DC B   9     -11.570  -1.941   0.275  1.00  0.00           C  
ATOM    540  O2   DC B   9     -11.689  -1.556   1.437  1.00  0.00           O  
ATOM    541  N3   DC B   9     -11.390  -1.068  -0.750  1.00  0.00           N  
ATOM    542  C4   DC B   9     -11.250  -1.490  -2.008  1.00  0.00           C  
ATOM    543  N4   DC B   9     -11.072  -0.585  -2.976  1.00  0.00           N  
ATOM    544  C5   DC B   9     -11.287  -2.888  -2.318  1.00  0.00           C  
ATOM    545  C6   DC B   9     -11.465  -3.745  -1.300  1.00  0.00           C  
ATOM    546  H5'  DC B   9      -8.527  -6.636   1.543  1.00  0.00           H  
ATOM    547 H5''  DC B   9      -9.447  -7.895   0.699  1.00  0.00           H  
ATOM    548  H4'  DC B   9     -10.790  -6.629   2.407  1.00  0.00           H  
ATOM    549  H3'  DC B   9     -11.540  -6.671  -0.503  1.00  0.00           H  
ATOM    550  H2'  DC B   9     -13.205  -5.139  -0.268  1.00  0.00           H  
ATOM    551 H2''  DC B   9     -13.471  -5.543   1.453  1.00  0.00           H  
ATOM    552  H1'  DC B   9     -12.226  -3.709   1.950  1.00  0.00           H  
ATOM    553  H41  DC B   9     -11.030   0.407  -2.742  1.00  0.00           H  
ATOM    554  H42  DC B   9     -10.964  -0.884  -3.935  1.00  0.00           H  
ATOM    555  H5   DC B   9     -11.173  -3.250  -3.337  1.00  0.00           H  
ATOM    556  H6   DC B   9     -11.490  -4.816  -1.500  1.00  0.00           H  
TER     557       DC B   9                                                      
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  280  281  285  288                                                      
CONECT  281  280  282  286                                                      
CONECT  282  281  283                                                           
CONECT  283  282  284  287                                                      
CONECT  284  283  285  296                                                      
CONECT  285  280  284  297                                                      
CONECT  286  281                                                                
CONECT  287  283  298  299                                                      
CONECT  288  280  289  292  300                                                 
CONECT  289  288  290  301  302                                                 
CONECT  290  289  291  293  303                                                 
CONECT  291  290  292  294  304                                                 
CONECT  292  288  291                                                           
CONECT  293  290  311                                                           
CONECT  294  291  295  305  306                                                 
CONECT  295  294  307                                                           
CONECT  296  284  308  309  310                                                 
CONECT  297  285                                                                
CONECT  298  287                                                                
CONECT  299  287                                                                
CONECT  300  288                                                                
CONECT  301  289                                                                
CONECT  302  289                                                                
CONECT  303  290                                                                
CONECT  304  291                                                                
CONECT  305  294                                                                
CONECT  306  294                                                                
CONECT  307  295                                                                
CONECT  308  296                                                                
CONECT  309  296                                                                
CONECT  310  296                                                                
CONECT  311  293                                                                
MASTER      121    0    2    0    0    0    0    6  346    2   64    2          
END